:) Ok, bmr17069.str in version 3.1, the model-free tags should be ps, not ns! So it should read:
_Order_parameter_list.Tau_e_val_units ps _Order_parameter_list.Tau_f_val_units ps _Order_parameter_list.Tau_s_val_units ps Cheers, Edward On 3 February 2011 18:09, Eldon Ulrich <[email protected]> wrote: > Hi, > > Thank you for identifying all of these issues with the relaxation entries. I > will be compiling them and then we will decide how best to update the > entries appropriately. > > Keep the emails coming. > > Thanks, > Eldon > > On 2/3/11 10:59 AM, Edward d'Auvergne wrote: >> >> Hi again, >> >> I hope you haven't blocked my emails now ;) I have another set of >> problems. This is again the issue of knowing the units of the >> correlation time parameters - this time being absent from the v3.1 >> files. Below is the current diff (with all my changes). The affected >> files are: >> >> bmr6838.str >> bmr15186.str >> bmr15187.str >> bmr15188.str >> bmr15230.str >> bmr15451.str >> bmr17010.str >> bmr17012.str >> bmr17013.str >> bmr17046.str >> >> Cheers, >> >> Edward >> >> >> >> diff -ur ./bmr15097.str ../bmr3.1_files/bmr15097.str >> --- ./bmr15097.str 2011-02-02 14:56:03.000000000 +0100 >> +++ ../bmr3.1_files/bmr15097.str 2011-02-01 19:41:25.000000000 >> +0100 >> @@ -837,10 +837,7 @@ >> _Entity_experimental_src.Entity_experimental_src_list_ID >> >> 1 1 $D6-HP . 'recombinant technology' 'Escherichia coli' . . . >> . . BL21(DE3) . . . . . . . . . . . . . . . pD6-HP . . . >> -; >> -The construct was cloned from full-length chicken villin cDNA (a gift >> of Dr. Paul Matsudaira, >> -Whitehead Institute/M.I.T.) into the pET-24a vector (Novagen) using >> standard protocols. >> -; . . 15097 1 >> +. . . 15097 1 >> >> stop_ >> >> @@ -971,10 +968,7 @@ >> _Vendor.Software_ID >> >> 'J. Patrick Loria' . >> -; >> -http://xbeams.chem.yale.edu/~loria/ >> [email protected] >> -; 15097 1 >> +. 15097 1 >> >> stop_ >> >> Only in ../bmr3.1_files: bmr15097_trunc.str >> diff -ur ./bmr15183.str ../bmr3.1_files/bmr15183.str >> --- ./bmr15183.str 2011-02-02 14:56:12.000000000 +0100 >> +++ ../bmr3.1_files/bmr15183.str 2011-02-01 16:19:19.000000000 >> +0100 >> @@ -1675,7 +1675,7 @@ >> 86 . 1 2 94 94 ASP N N . 0.905 0.025 3.14E-11 6.25E-10 . . . >> . . . . . . . . . . . . . . . . . . 15183 1 >> 87 . 1 2 95 95 LYS N N . 0.948 0.019 1.77E-11 6.34E-10 . . . >> . . . . . . . . . . . . . . . . . . 15183 1 >> 88 . 1 2 96 96 ASP N N . 0.976 0.005 1.00E-09 1.15E-10 . . . >> . . . . . . . . . . . . . . . . . . 15183 1 >> - 89 . 1 2 97 97 ASN N N . 0.986 0.011 5.00E-14 5.73E-10 . . . >> . . . . . . . . . . . . . . . . . . 15183 1 >> + 89 . 1 2 98 98 ASN N N . 0.986 0.011 5.00E-14 5.73E-10 . . . >> . . . . . . . . . . . . . . . . . . 15183 1 >> 90 . 1 2 99 99 GLY N N . 0.967 0.012 1.77E-11 2.90E-10 . . . >> . . . . . . . . . . . . . . . . . . 15183 1 >> 91 . 1 2 100 100 TYR N N . 0.901 0.018 9.83E-12 8.12E-11 . . . >> . . . . . . . . . . . . . . . . . . 15183 1 >> 92 . 1 2 101 101 ILE N N . 0.976 0.018 1.57E-11 5.03E-11 . . . >> . . . . . . . . . . . . . . . . . . 15183 1 >> @@ -1688,7 +1688,7 @@ >> 99 . 1 2 109 109 VAL N N . 0.939 0.003 9.55E-10 2.78E-11 . . . >> . . . . . . . . . . . . . . . . . . 15183 1 >> 100 . 1 2 110 110 MET N N . 0.939 0.01 6.85E-11 2.17E-11 . . . >> . . . . . . . . . . . . . . . . . . 15183 1 >> 101 . 1 2 111 111 THR N N . 0.957 0.011 4.31E-11 2.25E-11 . . . >> . . . . . . . . . . . . . . . . . . 15183 1 >> - 102 . 1 2 113 113 ASN N N . 0.962 0.005 1.00E-09 7.97E-11 . . . >> . . . . . . . . . . . . . . . . . . 15183 1 >> + 102 . 1 2 112 112 ASN N N . 0.962 0.005 1.00E-09 7.97E-11 . . . >> . . . . . . . . . . . . . . . . . . 15183 1 >> 103 . 1 2 114 114 GLY N N . 0.948 0.002 1.00E-09 0.00E+00 . . . >> . . . . . . . . . . . . . . . . . . 15183 1 >> 104 . 1 2 115 115 GLU N N . 0.768 0.009 4.51E-11 2.55E-12 . . . >> . . . . . . . . . . . . . . . . . . 15183 1 >> 105 . 1 2 116 116 LYS N N . 0.844 0.009 3.53E-11 3.11E-12 . . . >> . . . . . . . . . . . . . . . . . . 15183 1 >> @@ -1792,77 +1792,76 @@ >> _Order_param.Entry_ID >> _Order_param.Order_parameter_list_ID >> >> - 1 . 1 2 4 4 LEU CD1 C . 0.341 0.01 4.65E-11 2.08E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 2 . 1 2 4 4 LEU CD2 C . 0.348 0.007 3.21E-11 9.68E-13 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 3 . 1 2 9 9 ILE CD1 C . 0.405 0.006 2.02E-11 6.52E-13 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 4 . 1 2 9 9 ILE CG2 C . 0.708 0.011 2.71E-11 9.01E-13 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 5 . 1 2 10 10 ALA CB C . 0.871 0.016 3.27E-11 9.90E-13 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 6 . 1 2 15 15 ALA CB C . 0.899 0.044 7.73E-11 5.13E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 7 . 1 2 18 18 LEU CD1 C . 0.313 0.006 3.84E-11 1.32E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 8 . 1 2 18 18 LEU CD2 C . 0.299 0.022 5.91E-11 5.10E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 9 . 1 2 27 27 ILE CD1 C . 0.751 0.048 2.58E-11 3.44E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 10 . 1 2 27 27 ILE CG2 C . 0.843 0.034 3.40E-11 2.40E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 11 . 1 2 28 28 THR CG2 C . 0.829 0.027 1.09E-10 5.52E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 12 . 1 2 29 29 THR CG2 C . 0.306 0.005 7.54E-11 1.43E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 13 . 1 2 32 32 LEU CD1 C . 0.666 0.039 4.21E-11 3.86E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 14 . 1 2 32 32 LEU CD2 C . 0.659 0.051 4.90E-11 5.76E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 15 . 1 2 34 34 THR CG2 C . 0.595 0.013 5.66E-11 1.64E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 16 . 1 2 35 35 VAL CG1 C . 0.793 0.028 5.72E-11 2.67E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 17 . 1 2 35 35 VAL CG2 C . 0.744 0.024 2.52E-11 1.67E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 18 . 1 2 36 36 MET CE C . 0.39 0.004 1.01E-11 3.85E-13 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 19 . 1 2 39 39 LEU CD1 C . 0.553 0.027 5.53E-11 4.25E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 20 . 1 2 39 39 LEU CD2 C . 0.595 0.024 2.83E-11 2.06E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 21 . 1 2 44 44 THR CG2 C . 0.369 0.006 5.85E-11 1.27E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 22 . 1 2 46 46 ALA CB C . 0.786 0.011 4.40E-11 1.03E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 23 . 1 2 48 48 LEU CD1 C . 0.68 0.047 5.91E-11 6.06E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 24 . 1 2 51 51 MET CE C . 0.652 0.009 1.14E-11 6.52E-13 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 25 . 1 2 52 52 ILE CD1 C . 0.263 0.006 2.33E-11 1.05E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 26 . 1 2 52 52 ILE CG2 C . 0.786 0.018 4.03E-11 1.46E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 27 . 1 2 55 55 VAL CG1 C . 0.602 0.026 3.77E-11 2.10E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 28 . 1 2 55 55 VAL CG2 C . 0.779 0.03 5.78E-11 3.24E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 29 . 1 2 57 57 ALA CB C . 0.864 0.016 4.28E-11 1.15E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 30 . 1 2 63 63 ILE CD1 C . 0.602 0.029 4.28E-11 3.26E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 31 . 1 2 63 63 ILE CG2 C . 0.786 0.036 2.77E-11 2.40E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 32 . 1 2 69 69 LEU CD1 C . 0.228 0.012 3.33E-11 2.61E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 33 . 1 2 69 69 LEU CD2 C . 0.171 0.009 4.47E-11 2.88E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 34 . 1 2 70 70 THR CG2 C . 0.553 0.008 4.97E-11 1.01E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 35 . 1 2 71 71 MET CE C . 0.39 0.005 2.14E-11 5.86E-13 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 36 . 1 2 72 72 MET CE C . 0.383 0.004 1.33E-11 4.93E-13 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 37 . 1 2 73 73 ALA CB C . 0.864 0.018 3.77E-11 1.30E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 38 . 1 2 76 76 MET CE C . 0.285 0.004 1.33E-11 3.13E-13 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 39 . 1 2 85 85 ILE CD1 C . 0.617 0.014 1.64E-11 1.14E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 40 . 1 2 85 85 ILE CG2 C . 0.8 0.022 2.08E-11 1.34E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 41 . 1 2 91 91 VAL CG2 C . 0.814 0.022 3.15E-11 1.61E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 42 . 1 2 100 100 ILE CD1 C . 0.829 0.048 2.14E-11 2.92E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 43 . 1 2 100 100 ILE CG2 C . 0.836 0.031 3.09E-11 2.06E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 44 . 1 2 102 102 ALA CB C . 0.885 0.022 4.59E-11 1.57E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 45 . 1 2 103 103 ALA CB C . 0.885 0.019 4.34E-11 1.36E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 46 . 1 2 105 105 LEU CD1 C . 0.108 0.004 2.77E-11 6.08E-13 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 47 . 1 2 105 105 LEU CD2 C . 0.186 0.004 3.71E-11 8.78E-13 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 48 . 1 2 108 108 VAL CG1 C . 0.313 0.006 5.28E-11 1.26E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 49 . 1 2 108 108 VAL CG2 C . 0.292 0.004 3.96E-11 8.37E-13 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 50 . 1 2 109 109 MET CE C . 0.595 0.005 1.52E-11 4.21E-13 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 51 . 1 2 110 110 THR CG2 C . 0.433 0.004 5.41E-11 7.01E-13 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 52 . 1 2 112 112 LEU CD1 C . 0.426 0.018 6.53E-11 4.46E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 53 . 1 2 112 112 LEU CD2 C . 0.398 0.012 4.21E-11 2.36E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 54 . 1 2 116 116 LEU CD1 C . 0.518 0.013 9.30E-11 3.29E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 55 . 1 2 116 116 LEU CD2 C . 0.574 0.016 7.73E-11 3.03E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 56 . 1 2 121 121 VAL CG1 C . 0.758 0.016 2.71E-11 1.18E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 57 . 1 2 121 121 VAL CG2 C . 0.779 0.023 2.90E-11 1.51E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 58 . 1 2 124 124 MET CE C . 0.878 0.023 5.12E-12 1.01E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 59 . 1 2 125 125 ILE CD1 C . 0.277 0.005 2.33E-11 8.00E-13 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 60 . 1 2 125 125 ILE CG2 C . 0.843 0.018 2.21E-11 1.02E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 61 . 1 2 128 128 ALA CB C . 0.963 0.045 8.92E-11 5.56E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 62 . 1 2 130 130 ILE CD1 C . 0.32 0.005 2.58E-11 5.77E-13 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 63 . 1 2 130 130 ILE CG2 C . 0.525 0.005 3.71E-11 6.17E-13 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 64 . 1 2 136 136 VAL CG1 C . 0.504 0.013 5.22E-11 2.12E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 65 . 1 2 136 136 VAL CG2 C . 0.546 0.011 5.59E-11 1.96E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 66 . 1 2 142 142 VAL CG1 C . 0.532 0.008 6.22E-11 1.16E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 67 . 1 2 142 142 VAL CG2 C . 0.546 0.009 2.39E-11 8.92E-13 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 68 . 1 2 144 144 MET CE C . 0.504 0.005 1.20E-11 5.46E-13 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 69 . 1 2 145 145 MET CE C . 0.348 0.005 2.02E-11 3.37E-13 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 70 . 1 2 146 146 THR CG2 C . 0.511 0.008 4.97E-11 1.12E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> - 71 . 1 2 147 147 ALA CB C . 0.412 0.005 4.15E-11 4.30E-13 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 1 . 1 2 5 5 LEU CD1 C . 0.341 0.01 4.65E-11 2.08E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 2 . 1 2 5 5 LEU CD2 C . 0.348 0.007 3.21E-11 9.68E-13 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 3 . 1 2 10 10 ILE CD1 C . 0.405 0.006 2.02E-11 6.52E-13 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 4 . 1 2 10 10 ILE CG2 C . 0.708 0.011 2.71E-11 9.01E-13 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 5 . 1 2 11 11 ALA CB C . 0.871 0.016 3.27E-11 9.90E-13 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 6 . 1 2 16 16 ALA CB C . 0.899 0.044 7.73E-11 5.13E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 7 . 1 2 19 19 LEU CD1 C . 0.313 0.006 3.84E-11 1.32E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 8 . 1 2 19 19 LEU CD2 C . 0.299 0.022 5.91E-11 5.10E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 9 . 1 2 28 28 ILE CD1 C . 0.751 0.048 2.58E-11 3.44E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 10 . 1 2 28 28 ILE CG2 C . 0.843 0.034 3.40E-11 2.40E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 11 . 1 2 29 29 THR CG2 C . 0.829 0.027 1.09E-10 5.52E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 12 . 1 2 30 30 THR CG2 C . 0.306 0.005 7.54E-11 1.43E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 13 . 1 2 33 33 LEU CD1 C . 0.666 0.039 4.21E-11 3.86E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 14 . 1 2 33 33 LEU CD2 C . 0.659 0.051 4.90E-11 5.76E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 15 . 1 2 35 35 THR CG2 C . 0.595 0.013 5.66E-11 1.64E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 16 . 1 2 36 36 VAL CG1 C . 0.793 0.028 5.72E-11 2.67E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 17 . 1 2 36 36 VAL CG2 C . 0.744 0.024 2.52E-11 1.67E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 18 . 1 2 37 37 MET CE C . 0.39 0.004 1.01E-11 3.85E-13 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 19 . 1 2 40 40 LEU CD1 C . 0.553 0.027 5.53E-11 4.25E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 20 . 1 2 40 40 LEU CD2 C . 0.595 0.024 2.83E-11 2.06E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 21 . 1 2 45 45 THR CG2 C . 0.369 0.006 5.85E-11 1.27E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 22 . 1 2 47 47 ALA CB C . 0.786 0.011 4.40E-11 1.03E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 23 . 1 2 49 49 LEU CD1 C . 0.68 0.047 5.91E-11 6.06E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 24 . 1 2 52 52 MET CE C . 0.652 0.009 1.14E-11 6.52E-13 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 25 . 1 2 53 53 ILE CD1 C . 0.263 0.006 2.33E-11 1.05E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 26 . 1 2 53 53 ILE CG2 C . 0.786 0.018 4.03E-11 1.46E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 27 . 1 2 56 56 VAL CG1 C . 0.602 0.026 3.77E-11 2.10E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 28 . 1 2 56 56 VAL CG2 C . 0.779 0.03 5.78E-11 3.24E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 29 . 1 2 58 58 ALA CB C . 0.864 0.016 4.28E-11 1.15E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 30 . 1 2 64 64 ILE CD1 C . 0.602 0.029 4.28E-11 3.26E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 31 . 1 2 64 64 ILE CG2 C . 0.786 0.036 2.77E-11 2.40E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 32 . 1 2 70 70 LEU CD1 C . 0.228 0.012 3.33E-11 2.61E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 33 . 1 2 70 70 LEU CD2 C . 0.171 0.009 4.47E-11 2.88E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 34 . 1 2 71 71 THR CG2 C . 0.553 0.008 4.97E-11 1.01E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 35 . 1 2 72 72 MET CE C . 0.39 0.005 2.14E-11 5.86E-13 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 36 . 1 2 73 73 MET CE C . 0.383 0.004 1.33E-11 4.93E-13 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 37 . 1 2 74 74 ALA CB C . 0.864 0.018 3.77E-11 1.30E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 38 . 1 2 77 77 MET CE C . 0.285 0.004 1.33E-11 3.13E-13 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 39 . 1 2 86 86 ILE CD1 C . 0.617 0.014 1.64E-11 1.14E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 40 . 1 2 86 86 ILE CG2 C . 0.8 0.022 2.08E-11 1.34E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 41 . 1 2 92 92 VAL CG2 C . 0.814 0.022 3.15E-11 1.61E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 42 . 1 2 101 101 ILE CD1 C . 0.829 0.048 2.14E-11 2.92E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 43 . 1 2 101 101 ILE CG2 C . 0.836 0.031 3.09E-11 2.06E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 44 . 1 2 103 103 ALA CB C . 0.885 0.022 4.59E-11 1.57E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 45 . 1 2 104 104 ALA CB C . 0.885 0.019 4.34E-11 1.36E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 46 . 1 2 106 106 LEU CD1 C . 0.108 0.004 2.77E-11 6.08E-13 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 47 . 1 2 106 106 LEU CD2 C . 0.186 0.004 3.71E-11 8.78E-13 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 48 . 1 2 109 109 VAL CG1 C . 0.313 0.006 5.28E-11 1.26E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 49 . 1 2 109 109 VAL CG2 C . 0.292 0.004 3.96E-11 8.37E-13 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 50 . 1 2 110 110 MET CE C . 0.595 0.005 1.52E-11 4.21E-13 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 51 . 1 2 111 111 THR CG2 C . 0.433 0.004 5.41E-11 7.01E-13 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 52 . 1 2 113 113 LEU CD1 C . 0.426 0.018 6.53E-11 4.46E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 53 . 1 2 113 113 LEU CD2 C . 0.398 0.012 4.21E-11 2.36E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 54 . 1 2 117 117 LEU CD1 C . 0.518 0.013 9.30E-11 3.29E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 55 . 1 2 117 117 LEU CD2 C . 0.574 0.016 7.73E-11 3.03E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 56 . 1 2 122 122 VAL CG1 C . 0.758 0.016 2.71E-11 1.18E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 57 . 1 2 122 122 VAL CG2 C . 0.779 0.023 2.90E-11 1.51E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 58 . 1 2 125 125 MET CE C . 0.878 0.023 5.12E-12 1.01E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 59 . 1 2 126 126 ILE CD1 C . 0.277 0.005 2.33E-11 8.00E-13 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 60 . 1 2 126 126 ILE CG2 C . 0.843 0.018 2.21E-11 1.02E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 62 . 1 2 131 131 ILE CD1 C . 0.32 0.005 2.58E-11 5.77E-13 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 63 . 1 2 131 131 ILE CG2 C . 0.525 0.005 3.71E-11 6.17E-13 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 64 . 1 2 137 137 VAL CG1 C . 0.504 0.013 5.22E-11 2.12E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 65 . 1 2 137 137 VAL CG2 C . 0.546 0.011 5.59E-11 1.96E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 66 . 1 2 143 143 VAL CG1 C . 0.532 0.008 6.22E-11 1.16E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 67 . 1 2 143 143 VAL CG2 C . 0.546 0.009 2.39E-11 8.92E-13 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 68 . 1 2 145 145 MET CE C . 0.504 0.005 1.20E-11 5.46E-13 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 69 . 1 2 146 146 MET CE C . 0.348 0.005 2.02E-11 3.37E-13 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 70 . 1 2 147 147 THR CG2 C . 0.511 0.008 4.97E-11 1.12E-12 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> + 71 . 1 2 148 148 ALA CB C . 0.412 0.005 4.15E-11 4.30E-13 . . >> . . . . . . . . . . . . . . . . . . . 15183 2 >> >> stop_ >> >> diff -ur ./bmr15186.str ../bmr3.1_files/bmr15186.str >> --- ./bmr15186.str 2011-02-02 14:56:22.000000000 +0100 >> +++ ../bmr3.1_files/bmr15186.str 2011-02-03 17:47:19.000000000 >> +0100 >> @@ -1689,8 +1689,9 @@ >> _Order_parameter_list.ID 2 >> _Order_parameter_list.Sample_condition_list_ID 1 >> _Order_parameter_list.Sample_condition_list_label >> $sample_conditions_1 >> - _Order_parameter_list.Tau_e_val_units . >> - _Order_parameter_list.Tau_s_val_units . >> + _Order_parameter_list.Tau_e_val_units s >> + _Order_parameter_list.Tau_f_val_units s >> + _Order_parameter_list.Tau_s_val_units s >> _Order_parameter_list.Details 'NMR derived >> side-chain model-free squared generalized order parameters for the >> symmetry axis of methyl groups of CaM in complex with smMLCKp >> determined with relaxation data obtained at 500 and 600 MHz (1H).' >> _Order_parameter_list.Text_data_format . >> _Order_parameter_list.Text_data . >> diff -ur ./bmr15187.str ../bmr3.1_files/bmr15187.str >> --- ./bmr15187.str 2011-02-02 14:56:25.000000000 +0100 >> +++ ../bmr3.1_files/bmr15187.str 2011-02-03 17:50:16.000000000 >> +0100 >> @@ -599,7 +599,7 @@ >> 126 125 ILE . 15187 1 >> 127 126 ARG . 15187 1 >> 128 127 GLU . 15187 1 >> - 129 128 SER . 15187 1 >> + 129 128 ALA . 15187 1 >> 130 129 ASP . 15187 1 >> 131 130 ILE . 15187 1 >> 132 131 ASP . 15187 1 >> @@ -1420,8 +1420,9 @@ >> _Order_parameter_list.ID 1 >> _Order_parameter_list.Sample_condition_list_ID 1 >> _Order_parameter_list.Sample_condition_list_label >> $sample_conditions_1 >> - _Order_parameter_list.Tau_e_val_units . >> - _Order_parameter_list.Tau_s_val_units . >> + _Order_parameter_list.Tau_e_val_units s >> + _Order_parameter_list.Tau_f_val_units s >> + _Order_parameter_list.Tau_s_val_units s >> _Order_parameter_list.Details >> ; >> NMR derived backbone N-H bond vector model-free squared generalized >> order >> @@ -1624,8 +1625,9 @@ >> _Order_parameter_list.ID 2 >> _Order_parameter_list.Sample_condition_list_ID 1 >> _Order_parameter_list.Sample_condition_list_label >> $sample_conditions_1 >> - _Order_parameter_list.Tau_e_val_units . >> - _Order_parameter_list.Tau_s_val_units . >> + _Order_parameter_list.Tau_e_val_units s >> + _Order_parameter_list.Tau_f_val_units s >> + _Order_parameter_list.Tau_s_val_units s >> _Order_parameter_list.Details 'NMR derived >> side-chain model-free squared generalized order parameters for the >> symmetry axis of methyl groups of CaM in complex' >> _Order_parameter_list.Text_data_format . >> _Order_parameter_list.Text_data . >> diff -ur ./bmr15188.str ../bmr3.1_files/bmr15188.str >> --- ./bmr15188.str 2011-02-02 14:56:37.000000000 +0100 >> +++ ../bmr3.1_files/bmr15188.str 2011-02-03 17:47:59.000000000 >> +0100 >> @@ -1263,8 +1263,9 @@ >> _Order_parameter_list.ID 1 >> _Order_parameter_list.Sample_condition_list_ID 1 >> _Order_parameter_list.Sample_condition_list_label >> $sample_conditions_1 >> - _Order_parameter_list.Tau_e_val_units . >> - _Order_parameter_list.Tau_s_val_units . >> + _Order_parameter_list.Tau_e_val_units s >> + _Order_parameter_list.Tau_f_val_units s >> + _Order_parameter_list.Tau_s_val_units s >> _Order_parameter_list.Details 'NMR derived >> backbone N-H bond vector model-free squared generalized order >> parameters for calcium-saturated CaM determined at 500 and 600 MHz >> (1H)' >> _Order_parameter_list.Text_data_format . >> _Order_parameter_list.Text_data . >> @@ -1428,8 +1429,9 @@ >> _Order_parameter_list.ID 2 >> _Order_parameter_list.Sample_condition_list_ID 1 >> _Order_parameter_list.Sample_condition_list_label >> $sample_conditions_1 >> - _Order_parameter_list.Tau_e_val_units . >> - _Order_parameter_list.Tau_s_val_units . >> + _Order_parameter_list.Tau_e_val_units s >> + _Order_parameter_list.Tau_f_val_units s >> + _Order_parameter_list.Tau_s_val_units s >> _Order_parameter_list.Details 'NMR derived >> side-chain model-free squared generalized order parameters for the >> symmetry axis of methyl groups of calcium-saturated CaM determined >> with relaxation data obtained at 500 and 600 MHz (1H).' >> _Order_parameter_list.Text_data_format . >> _Order_parameter_list.Text_data . >> diff -ur ./bmr15230.str ../bmr3.1_files/bmr15230.str >> --- ./bmr15230.str 2011-02-02 14:57:31.000000000 +0100 >> +++ ../bmr3.1_files/bmr15230.str 2011-02-03 17:48:15.000000000 >> +0100 >> @@ -5165,8 +5165,9 @@ >> _Order_parameter_list.ID 1 >> _Order_parameter_list.Sample_condition_list_ID 1 >> _Order_parameter_list.Sample_condition_list_label >> $sample_conditions_1 >> - _Order_parameter_list.Tau_e_val_units . >> - _Order_parameter_list.Tau_s_val_units . >> + _Order_parameter_list.Tau_e_val_units s >> + _Order_parameter_list.Tau_f_val_units s >> + _Order_parameter_list.Tau_s_val_units s >> _Order_parameter_list.Details 'Model-free >> analysis (anisotropic model of internal motion) in Tensor2 (Dosset et >> al., 2000)' >> _Order_parameter_list.Text_data_format . >> _Order_parameter_list.Text_data . >> diff -ur ./bmr15451.str ../bmr3.1_files/bmr15451.str >> --- ./bmr15451.str 2010-09-05 05:55:42.000000000 +0200 >> +++ ../bmr3.1_files/bmr15451.str 2011-02-03 17:48:49.000000000 >> +0100 >> @@ -3233,8 +3233,9 @@ >> _Order_parameter_list.ID 1 >> _Order_parameter_list.Sample_condition_list_ID 1 >> _Order_parameter_list.Sample_condition_list_label $sample_conditions >> - _Order_parameter_list.Tau_e_val_units . >> - _Order_parameter_list.Tau_s_val_units . >> + _Order_parameter_list.Tau_e_val_units s >> + _Order_parameter_list.Tau_f_val_units s >> + _Order_parameter_list.Tau_s_val_units s >> _Order_parameter_list.Details . >> _Order_parameter_list.Text_data_format . >> _Order_parameter_list.Text_data . >> diff -ur ./bmr15562.str ../bmr3.1_files/bmr15562.str >> --- ./bmr15562.str 2011-02-02 14:57:31.000000000 +0100 >> +++ ../bmr3.1_files/bmr15562.str 2011-02-01 20:35:13.000000000 >> +0100 >> @@ -726,10 +726,7 @@ >> _Entity_natural_src.Entity_natural_src_list_ID >> >> 1 1 $N116 . 4932 organism . 'SACCHAROMYCES CEREVISIAE' . . . >> Eukaryota Fungi SACCHAROMYCES CEREVISIAE S288C . . . . . . . . . . . . >> . . . YMR074C . >> -; >> -Ymr074cp (1-116); >> -Residues 117-127 represent a his tag >> -; . . 15562 1 >> +. . . 15562 1 >> >> stop_ >> >> Only in .: bmr15910.str >> diff -ur ./bmr16925.str ../bmr3.1_files/bmr16925.str >> --- ./bmr16925.str 2011-02-02 14:57:31.000000000 +0100 >> +++ ../bmr3.1_files/bmr16925.str 2011-02-03 17:35:27.000000000 >> +0100 >> @@ -2213,7 +2213,6 @@ >> 58 . 1 1 68 68 VAL N N 15 0.8728 0.0038 1.05E-11 >> 6.4E-12 . . . . . . . 4 . . . . . . . . . . 68 VAL >> N 16925 1 >> 59 . 1 1 69 69 GLY N N 15 0.901 0.0046 . >> . . . . . . . . 1 . . . . . . . . . . 69 GLY >> N 16925 1 >> 60 . 1 1 71 71 ARG N N 15 0.8909 0.0047 . >> . . . . . . . . 1 . . . . . . . . . . 71 ARG >> N 16925 1 >> - 61 . 1 1 72 72 ALA N N 15 87.25 1.000198836 >> 0.000000174 0.000000165 . . . . . . . 5 . . . . . . . . . . 72 >> ALA N 16925 1 >> 62 . 1 1 73 73 LYS N N 15 0.8456 0.0036 . >> . . . . . . . . 3 . . . . . . . . . . 73 LYS >> N 16925 1 >> 63 . 1 1 74 74 LEU N N 15 0.8617 0.0048 1.58E-11 >> 7.89E-12 . . . . . . . 2 . . . . . . . . . . 74 LEU >> N 16925 1 >> 64 . 1 1 75 75 THR N N 15 0.8286 0.0037 . >> . . . . . . . . 3 . . . . . . . . . . 75 THR >> N 16925 1 >> diff -ur ./bmr17010.str ../bmr3.1_files/bmr17010.str >> --- ./bmr17010.str 2011-02-02 14:57:32.000000000 +0100 >> +++ ../bmr3.1_files/bmr17010.str 2011-02-03 15:22:30.000000000 >> +0100 >> @@ -2170,8 +2170,9 @@ >> _Order_parameter_list.ID 1 >> _Order_parameter_list.Sample_condition_list_ID 1 >> _Order_parameter_list.Sample_condition_list_label >> $sample_conditions_1 >> - _Order_parameter_list.Tau_e_val_units . >> - _Order_parameter_list.Tau_s_val_units . >> + _Order_parameter_list.Tau_e_val_units ps >> + _Order_parameter_list.Tau_f_val_units ps >> + _Order_parameter_list.Tau_s_val_units ps >> _Order_parameter_list.Details . >> _Order_parameter_list.Text_data_format . >> _Order_parameter_list.Text_data . >> diff -ur ./bmr17012.str ../bmr3.1_files/bmr17012.str >> --- ./bmr17012.str 2011-02-02 14:57:32.000000000 +0100 >> +++ ../bmr3.1_files/bmr17012.str 2011-02-03 15:23:40.000000000 >> +0100 >> @@ -1766,8 +1766,9 @@ >> _Order_parameter_list.ID 1 >> _Order_parameter_list.Sample_condition_list_ID 1 >> _Order_parameter_list.Sample_condition_list_label >> $sample_conditions_1 >> - _Order_parameter_list.Tau_e_val_units . >> - _Order_parameter_list.Tau_s_val_units . >> + _Order_parameter_list.Tau_e_val_units ps >> + _Order_parameter_list.Tau_f_val_units ps >> + _Order_parameter_list.Tau_s_val_units ps >> _Order_parameter_list.Details . >> _Order_parameter_list.Text_data_format . >> _Order_parameter_list.Text_data . >> diff -ur ./bmr17013.str ../bmr3.1_files/bmr17013.str >> --- ./bmr17013.str 2011-02-02 14:57:32.000000000 +0100 >> +++ ../bmr3.1_files/bmr17013.str 2011-02-03 17:44:25.000000000 >> +0100 >> @@ -2236,8 +2236,8 @@ >> _Order_parameter_list.ID 1 >> _Order_parameter_list.Sample_condition_list_ID 1 >> _Order_parameter_list.Sample_condition_list_label >> $sample_conditions_1 >> - _Order_parameter_list.Tau_e_val_units . >> - _Order_parameter_list.Tau_s_val_units . >> + _Order_parameter_list.Tau_e_val_units ps >> + _Order_parameter_list.Tau_s_val_units ps >> _Order_parameter_list.Details . >> _Order_parameter_list.Text_data_format . >> _Order_parameter_list.Text_data . >> diff -ur ./bmr17041.str ../bmr3.1_files/bmr17041.str >> --- ./bmr17041.str 2011-02-02 14:57:32.000000000 +0100 >> +++ ../bmr3.1_files/bmr17041.str 2011-02-01 21:41:27.000000000 >> +0100 >> @@ -453,118 +453,113 @@ >> _Entity_comp_index.Entity_ID >> >> 1 . HIS . 17041 1 >> - 2 . HIS . 17041 1 >> - 3 . HIS . 17041 1 >> - 4 . HIS . 17041 1 >> - 5 . HIS . 17041 1 >> - 6 . HIS . 17041 1 >> - 7 . ALA . 17041 1 >> - 8 . GLN . 17041 1 >> - 9 . GLN . 17041 1 >> - 10 . SER . 17041 1 >> - 11 . PRO . 17041 1 >> - 12 . TYR . 17041 1 >> - 13 . SER . 17041 1 >> - 14 . ALA . 17041 1 >> - 15 . ALA . 17041 1 >> - 16 . MET . 17041 1 >> - 17 . ALA . 17041 1 >> + 2 . ALA . 17041 1 >> + 3 . GLN . 17041 1 >> + 4 . GLN . 17041 1 >> + 5 . SER . 17041 1 >> + 6 . PRO . 17041 1 >> + 7 . TYR . 17041 1 >> + 8 . SER . 17041 1 >> + 9 . ALA . 17041 1 >> + 10 . ALA . 17041 1 >> + 11 . MET . 17041 1 >> + 12 . ALA . 17041 1 >> + 13 . GLU . 17041 1 >> + 14 . GLN . 17041 1 >> + 15 . ARG . 17041 1 >> + 16 . HIS . 17041 1 >> + 17 . GLN . 17041 1 >> 18 . GLU . 17041 1 >> - 19 . GLN . 17041 1 >> - 20 . ARG . 17041 1 >> - 21 . HIS . 17041 1 >> - 22 . GLN . 17041 1 >> - 23 . GLU . 17041 1 >> - 24 . TRP . 17041 1 >> + 19 . TRP . 17041 1 >> + 20 . LEU . 17041 1 >> + 21 . ARG . 17041 1 >> + 22 . PHE . 17041 1 >> + 23 . VAL . 17041 1 >> + 24 . ASP . 17041 1 >> 25 . LEU . 17041 1 >> - 26 . ARG . 17041 1 >> - 27 . PHE . 17041 1 >> - 28 . VAL . 17041 1 >> - 29 . ASP . 17041 1 >> - 30 . LEU . 17041 1 >> - 31 . LEU . 17041 1 >> - 32 . LYS . 17041 1 >> - 33 . ASN . 17041 1 >> - 34 . ALA . 17041 1 >> - 35 . TYR . 17041 1 >> - 36 . GLN . 17041 1 >> - 37 . ASN . 17041 1 >> - 38 . ASP . 17041 1 >> + 26 . LEU . 17041 1 >> + 27 . LYS . 17041 1 >> + 28 . ASN . 17041 1 >> + 29 . ALA . 17041 1 >> + 30 . TYR . 17041 1 >> + 31 . GLN . 17041 1 >> + 32 . ASN . 17041 1 >> + 33 . ASP . 17041 1 >> + 34 . LEU . 17041 1 >> + 35 . HIS . 17041 1 >> + 36 . LEU . 17041 1 >> + 37 . PRO . 17041 1 >> + 38 . LEU . 17041 1 >> 39 . LEU . 17041 1 >> - 40 . HIS . 17041 1 >> + 40 . ASN . 17041 1 >> 41 . LEU . 17041 1 >> - 42 . PRO . 17041 1 >> + 42 . MET . 17041 1 >> 43 . LEU . 17041 1 >> - 44 . LEU . 17041 1 >> - 45 . ASN . 17041 1 >> - 46 . LEU . 17041 1 >> - 47 . MET . 17041 1 >> - 48 . LEU . 17041 1 >> - 49 . THR . 17041 1 >> - 50 . PRO . 17041 1 >> - 51 . ASP . 17041 1 >> - 52 . GLU . 17041 1 >> - 53 . ARG . 17041 1 >> - 54 . GLU . 17041 1 >> - 55 . ALA . 17041 1 >> - 56 . LEU . 17041 1 >> - 57 . GLY . 17041 1 >> - 58 . THR . 17041 1 >> - 59 . ARG . 17041 1 >> - 60 . VAL . 17041 1 >> - 61 . ARG . 17041 1 >> - 62 . ILE . 17041 1 >> - 63 . VAL . 17041 1 >> - 64 . GLU . 17041 1 >> + 44 . THR . 17041 1 >> + 45 . PRO . 17041 1 >> + 46 . ASP . 17041 1 >> + 47 . GLU . 17041 1 >> + 48 . ARG . 17041 1 >> + 49 . GLU . 17041 1 >> + 50 . ALA . 17041 1 >> + 51 . LEU . 17041 1 >> + 52 . GLY . 17041 1 >> + 53 . THR . 17041 1 >> + 54 . ARG . 17041 1 >> + 55 . VAL . 17041 1 >> + 56 . ARG . 17041 1 >> + 57 . ILE . 17041 1 >> + 58 . VAL . 17041 1 >> + 59 . GLU . 17041 1 >> + 60 . GLU . 17041 1 >> + 61 . LEU . 17041 1 >> + 62 . LEU . 17041 1 >> + 63 . ARG . 17041 1 >> + 64 . GLY . 17041 1 >> 65 . GLU . 17041 1 >> - 66 . LEU . 17041 1 >> - 67 . LEU . 17041 1 >> - 68 . ARG . 17041 1 >> - 69 . GLY . 17041 1 >> + 66 . MET . 17041 1 >> + 67 . SER . 17041 1 >> + 68 . GLN . 17041 1 >> + 69 . ARG . 17041 1 >> 70 . GLU . 17041 1 >> - 71 . MET . 17041 1 >> - 72 . SER . 17041 1 >> - 73 . GLN . 17041 1 >> - 74 . ARG . 17041 1 >> - 75 . GLU . 17041 1 >> - 76 . LEU . 17041 1 >> - 77 . LYS . 17041 1 >> - 78 . ASN . 17041 1 >> - 79 . GLU . 17041 1 >> - 80 . LEU . 17041 1 >> - 81 . GLY . 17041 1 >> - 82 . ALA . 17041 1 >> - 83 . GLY . 17041 1 >> - 84 . ILE . 17041 1 >> - 85 . ALA . 17041 1 >> - 86 . THR . 17041 1 >> - 87 . ILE . 17041 1 >> - 88 . THR . 17041 1 >> - 89 . ARG . 17041 1 >> - 90 . GLY . 17041 1 >> - 91 . SER . 17041 1 >> - 92 . ASN . 17041 1 >> - 93 . SER . 17041 1 >> - 94 . LEU . 17041 1 >> - 95 . LYS . 17041 1 >> - 96 . ALA . 17041 1 >> - 97 . ALA . 17041 1 >> - 98 . PRO . 17041 1 >> - 99 . VAL . 17041 1 >> - 100 . GLU . 17041 1 >> - 101 . LEU . 17041 1 >> - 102 . ARG . 17041 1 >> - 103 . GLN . 17041 1 >> - 104 . TRP . 17041 1 >> + 71 . LEU . 17041 1 >> + 72 . LYS . 17041 1 >> + 73 . ASN . 17041 1 >> + 74 . GLU . 17041 1 >> + 75 . LEU . 17041 1 >> + 76 . GLY . 17041 1 >> + 77 . ALA . 17041 1 >> + 78 . GLY . 17041 1 >> + 79 . ILE . 17041 1 >> + 80 . ALA . 17041 1 >> + 81 . THR . 17041 1 >> + 82 . ILE . 17041 1 >> + 83 . THR . 17041 1 >> + 84 . ARG . 17041 1 >> + 85 . GLY . 17041 1 >> + 86 . SER . 17041 1 >> + 87 . ASN . 17041 1 >> + 88 . SER . 17041 1 >> + 89 . LEU . 17041 1 >> + 90 . LYS . 17041 1 >> + 91 . ALA . 17041 1 >> + 92 . ALA . 17041 1 >> + 93 . PRO . 17041 1 >> + 94 . VAL . 17041 1 >> + 95 . GLU . 17041 1 >> + 96 . LEU . 17041 1 >> + 97 . ARG . 17041 1 >> + 98 . GLN . 17041 1 >> + 99 . TRP . 17041 1 >> + 100 . LEU . 17041 1 >> + 101 . GLU . 17041 1 >> + 102 . GLU . 17041 1 >> + 103 . VAL . 17041 1 >> + 104 . LEU . 17041 1 >> 105 . LEU . 17041 1 >> - 106 . GLU . 17041 1 >> - 107 . GLU . 17041 1 >> - 108 . VAL . 17041 1 >> - 109 . LEU . 17041 1 >> - 110 . LEU . 17041 1 >> - 111 . LYS . 17041 1 >> - 112 . SER . 17041 1 >> - 113 . ASP . 17041 1 >> + 106 . LYS . 17041 1 >> + 107 . SER . 17041 1 >> + 108 . ASP . 17041 1 >> >> stop_ >> >> diff -ur ./bmr17046.str ../bmr3.1_files/bmr17046.str >> --- ./bmr17046.str 2011-02-02 14:57:32.000000000 +0100 >> +++ ../bmr3.1_files/bmr17046.str 2011-02-01 20:19:57.000000000 >> +0100 >> @@ -453,118 +453,113 @@ >> _Entity_comp_index.Entity_ID >> >> 1 . HIS . 17046 1 >> - 2 . HIS . 17046 1 >> - 3 . HIS . 17046 1 >> - 4 . HIS . 17046 1 >> - 5 . HIS . 17046 1 >> - 6 . HIS . 17046 1 >> - 7 . ALA . 17046 1 >> - 8 . GLN . 17046 1 >> - 9 . GLN . 17046 1 >> - 10 . SER . 17046 1 >> - 11 . PRO . 17046 1 >> - 12 . TYR . 17046 1 >> - 13 . SER . 17046 1 >> - 14 . ALA . 17046 1 >> - 15 . ALA . 17046 1 >> - 16 . MET . 17046 1 >> - 17 . ALA . 17046 1 >> + 2 . ALA . 17046 1 >> + 3 . GLN . 17046 1 >> + 4 . GLN . 17046 1 >> + 5 . SER . 17046 1 >> + 6 . PRO . 17046 1 >> + 7 . TYR . 17046 1 >> + 8 . SER . 17046 1 >> + 9 . ALA . 17046 1 >> + 10 . ALA . 17046 1 >> + 11 . MET . 17046 1 >> + 12 . ALA . 17046 1 >> + 13 . GLU . 17046 1 >> + 14 . GLN . 17046 1 >> + 15 . ARG . 17046 1 >> + 16 . HIS . 17046 1 >> + 17 . GLN . 17046 1 >> 18 . GLU . 17046 1 >> - 19 . GLN . 17046 1 >> - 20 . ARG . 17046 1 >> - 21 . HIS . 17046 1 >> - 22 . GLN . 17046 1 >> - 23 . GLU . 17046 1 >> - 24 . TRP . 17046 1 >> + 19 . TRP . 17046 1 >> + 20 . LEU . 17046 1 >> + 21 . ARG . 17046 1 >> + 22 . PHE . 17046 1 >> + 23 . VAL . 17046 1 >> + 24 . ASP . 17046 1 >> 25 . LEU . 17046 1 >> - 26 . ARG . 17046 1 >> - 27 . PHE . 17046 1 >> - 28 . VAL . 17046 1 >> - 29 . ASP . 17046 1 >> - 30 . LEU . 17046 1 >> - 31 . LEU . 17046 1 >> - 32 . LYS . 17046 1 >> - 33 . ASN . 17046 1 >> - 34 . ALA . 17046 1 >> - 35 . TYR . 17046 1 >> - 36 . GLN . 17046 1 >> - 37 . ASN . 17046 1 >> - 38 . ASP . 17046 1 >> + 26 . LEU . 17046 1 >> + 27 . LYS . 17046 1 >> + 28 . ASN . 17046 1 >> + 29 . ALA . 17046 1 >> + 30 . TYR . 17046 1 >> + 31 . GLN . 17046 1 >> + 32 . ASN . 17046 1 >> + 33 . ASP . 17046 1 >> + 34 . LEU . 17046 1 >> + 35 . HIS . 17046 1 >> + 36 . LEU . 17046 1 >> + 37 . PRO . 17046 1 >> + 38 . LEU . 17046 1 >> 39 . LEU . 17046 1 >> - 40 . HIS . 17046 1 >> + 40 . ASN . 17046 1 >> 41 . LEU . 17046 1 >> - 42 . PRO . 17046 1 >> + 42 . MET . 17046 1 >> 43 . LEU . 17046 1 >> - 44 . LEU . 17046 1 >> - 45 . ASN . 17046 1 >> - 46 . LEU . 17046 1 >> - 47 . MET . 17046 1 >> - 48 . LEU . 17046 1 >> - 49 . THR . 17046 1 >> - 50 . PRO . 17046 1 >> - 51 . ASP . 17046 1 >> - 52 . GLU . 17046 1 >> - 53 . ARG . 17046 1 >> - 54 . GLU . 17046 1 >> - 55 . ALA . 17046 1 >> - 56 . LEU . 17046 1 >> - 57 . GLY . 17046 1 >> - 58 . THR . 17046 1 >> - 59 . ARG . 17046 1 >> - 60 . VAL . 17046 1 >> - 61 . ARG . 17046 1 >> - 62 . ILE . 17046 1 >> - 63 . VAL . 17046 1 >> - 64 . GLU . 17046 1 >> + 44 . THR . 17046 1 >> + 45 . PRO . 17046 1 >> + 46 . ASP . 17046 1 >> + 47 . GLU . 17046 1 >> + 48 . ARG . 17046 1 >> + 49 . GLU . 17046 1 >> + 50 . ALA . 17046 1 >> + 51 . LEU . 17046 1 >> + 52 . GLY . 17046 1 >> + 53 . THR . 17046 1 >> + 54 . ARG . 17046 1 >> + 55 . VAL . 17046 1 >> + 56 . ARG . 17046 1 >> + 57 . ILE . 17046 1 >> + 58 . VAL . 17046 1 >> + 59 . GLU . 17046 1 >> + 60 . GLU . 17046 1 >> + 61 . LEU . 17046 1 >> + 62 . LEU . 17046 1 >> + 63 . ARG . 17046 1 >> + 64 . GLY . 17046 1 >> 65 . GLU . 17046 1 >> - 66 . LEU . 17046 1 >> - 67 . LEU . 17046 1 >> - 68 . ARG . 17046 1 >> - 69 . GLY . 17046 1 >> + 66 . MET . 17046 1 >> + 67 . SER . 17046 1 >> + 68 . GLN . 17046 1 >> + 69 . ARG . 17046 1 >> 70 . GLU . 17046 1 >> - 71 . MET . 17046 1 >> - 72 . SER . 17046 1 >> - 73 . GLN . 17046 1 >> - 74 . ARG . 17046 1 >> - 75 . GLU . 17046 1 >> - 76 . LEU . 17046 1 >> - 77 . LYS . 17046 1 >> - 78 . ASN . 17046 1 >> - 79 . GLU . 17046 1 >> - 80 . PHE . 17046 1 >> - 81 . GLY . 17046 1 >> - 82 . ALA . 17046 1 >> - 83 . GLY . 17046 1 >> - 84 . ILE . 17046 1 >> - 85 . ALA . 17046 1 >> - 86 . THR . 17046 1 >> - 87 . ILE . 17046 1 >> - 88 . THR . 17046 1 >> - 89 . ARG . 17046 1 >> - 90 . GLY . 17046 1 >> - 91 . SER . 17046 1 >> - 92 . ASN . 17046 1 >> - 93 . SER . 17046 1 >> - 94 . LEU . 17046 1 >> - 95 . LYS . 17046 1 >> - 96 . ALA . 17046 1 >> - 97 . ALA . 17046 1 >> - 98 . PRO . 17046 1 >> - 99 . VAL . 17046 1 >> - 100 . GLU . 17046 1 >> - 101 . LEU . 17046 1 >> - 102 . ARG . 17046 1 >> - 103 . GLN . 17046 1 >> - 104 . TRP . 17046 1 >> + 71 . LEU . 17046 1 >> + 72 . LYS . 17046 1 >> + 73 . ASN . 17046 1 >> + 74 . GLU . 17046 1 >> + 75 . PHE . 17046 1 >> + 76 . GLY . 17046 1 >> + 77 . ALA . 17046 1 >> + 78 . GLY . 17046 1 >> + 79 . ILE . 17046 1 >> + 80 . ALA . 17046 1 >> + 81 . THR . 17046 1 >> + 82 . ILE . 17046 1 >> + 83 . THR . 17046 1 >> + 84 . ARG . 17046 1 >> + 85 . GLY . 17046 1 >> + 86 . SER . 17046 1 >> + 87 . ASN . 17046 1 >> + 88 . SER . 17046 1 >> + 89 . LEU . 17046 1 >> + 90 . LYS . 17046 1 >> + 91 . ALA . 17046 1 >> + 92 . ALA . 17046 1 >> + 93 . PRO . 17046 1 >> + 94 . VAL . 17046 1 >> + 95 . GLU . 17046 1 >> + 96 . LEU . 17046 1 >> + 97 . ARG . 17046 1 >> + 98 . GLN . 17046 1 >> + 99 . TRP . 17046 1 >> + 100 . LEU . 17046 1 >> + 101 . GLU . 17046 1 >> + 102 . GLU . 17046 1 >> + 103 . VAL . 17046 1 >> + 104 . LEU . 17046 1 >> 105 . LEU . 17046 1 >> - 106 . GLU . 17046 1 >> - 107 . GLU . 17046 1 >> - 108 . VAL . 17046 1 >> - 109 . LEU . 17046 1 >> - 110 . LEU . 17046 1 >> - 111 . LYS . 17046 1 >> - 112 . SER . 17046 1 >> - 113 . ASP . 17046 1 >> + 106 . LYS . 17046 1 >> + 107 . SER . 17046 1 >> + 108 . ASP . 17046 1 >> >> stop_ >> >> @@ -2623,7 +2618,7 @@ >> _Order_parameter_list.ID 1 >> _Order_parameter_list.Sample_condition_list_ID 1 >> _Order_parameter_list.Sample_condition_list_label >> $sample_conditions_1 >> - _Order_parameter_list.Tau_e_val_units ns >> + _Order_parameter_list.Tau_e_val_units ps >> _Order_parameter_list.Tau_s_val_units . >> _Order_parameter_list.Details . >> _Order_parameter_list.Text_data_format . >> diff -ur ./bmr6838.str ../bmr3.1_files/bmr6838.str >> --- ./bmr6838.str 2011-02-02 14:57:32.000000000 +0100 >> +++ ../bmr3.1_files/bmr6838.str 2011-02-01 17:34:13.000000000 +0100 >> @@ -7809,8 +7809,9 @@ >> _Order_parameter_list.ID 1 >> _Order_parameter_list.Sample_condition_list_ID 2 >> _Order_parameter_list.Sample_condition_list_label $conditions_2 >> - _Order_parameter_list.Tau_e_val_units . >> - _Order_parameter_list.Tau_s_val_units . >> + _Order_parameter_list.Tau_e_val_units ps >> + _Order_parameter_list.Tau_f_val_units ps >> + _Order_parameter_list.Tau_s_val_units ps >> _Order_parameter_list.Details >> ; >> The Rex values and errors provided are scaled for a 600 MHz field. >> @@ -7854,14 +7855,14 @@ >> _Order_param.Tau_f_val_fit_err >> _Order_param.Tau_s_val >> _Order_param.Tau_s_val_fit_err >> - _Order_param.Rex_val >> - _Order_param.Rex_val_fit_err >> _Order_param.Model_free_sum_squared_errs >> _Order_param.Model_fit >> _Order_param.Sf2_val >> _Order_param.Sf2_val_fit_err >> _Order_param.Ss2_val >> _Order_param.Ss2_val_fit_err >> + _Order_param.Rex_val >> + _Order_param.Rex_val_fit_err >> _Order_param.SH2_val >> _Order_param.SH2_val_fit_err >> _Order_param.SN2_val > _______________________________________________ relax (http://nmr-relax.com) This is the relax-devel mailing list [email protected] To unsubscribe from this list, get a password reminder, or change your subscription options, visit the list information page at https://mail.gna.org/listinfo/relax-devel
