data_nef_c15591_2k0b save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2JY7 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 X 1 GLY start . false 2 X 2 SER middle . . 3 X 3 PRO middle . false 4 X 4 PRO middle . false 5 X 5 GLU middle . . 6 X 6 ALA middle . . 7 X 7 ASP middle . . 8 X 8 PRO middle . false 9 X 9 ARG middle . . 10 X 10 LEU middle . . 11 X 11 ILE middle . . 12 X 12 GLU middle . . 13 X 13 SER middle . . 14 X 14 LEU middle . . 15 X 15 SER middle . . 16 X 16 GLN middle . . 17 X 17 MET middle . . 18 X 18 LEU middle . . 19 X 19 SER middle . . 20 X 20 MET middle . . 21 X 21 GLY middle . false 22 X 22 PHE middle . . 23 X 23 SER middle . . 24 X 24 ASP middle . . 25 X 25 GLU middle . . 26 X 26 GLY middle . false 27 X 27 GLY middle . false 28 X 28 TRP middle . . 29 X 29 LEU middle . . 30 X 30 THR middle . . 31 X 31 ARG middle . . 32 X 32 LEU middle . . 33 X 33 LEU middle . . 34 X 34 GLN middle . . 35 X 35 THR middle . . 36 X 36 LYS middle . . 37 X 37 ASN middle . . 38 X 38 TYR middle . . 39 X 39 ASP middle . . 40 X 40 ILE middle . . 41 X 41 GLY middle . false 42 X 42 ALA middle . . 43 X 43 ALA middle . . 44 X 44 LEU middle . . 45 X 45 ASP middle . . 46 X 46 THR middle . . 47 X 47 ILE middle . . 48 X 48 GLN middle . . 49 X 49 TYR middle . . 50 X 50 SER middle . . 51 X 51 LYS middle . . 52 X 52 HIS end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty X 1 GLY HA2 H 1 3.867 0.000 X 1 GLY CA C 13 43.484 0.000 X 2 SER HA H 1 4.826 0.002 X 2 SER HBx H 1 3.794 0.032 X 2 SER HBy H 1 3.906 0.002 X 2 SER CA C 13 56.688 0.031 X 2 SER CB C 13 62.999 0.024 X 3 PRO HA H 1 4.749 0.007 X 3 PRO HBx H 1 1.970 0.014 X 3 PRO HBy H 1 2.381 0.018 X 3 PRO HDx H 1 3.828 0.008 X 3 PRO HDy H 1 3.950 0.004 X 3 PRO HG2 H 1 2.060 0.009 X 3 PRO CA C 13 61.476 0.067 X 3 PRO CB C 13 31.354 0.581 X 3 PRO CD C 13 50.894 0.171 X 3 PRO CG C 13 27.314 0.275 X 4 PRO HA H 1 4.416 0.006 X 4 PRO HBx H 1 1.943 0.010 X 4 PRO HBy H 1 2.342 0.032 X 4 PRO HDx H 1 3.739 0.028 X 4 PRO HDy H 1 3.883 0.006 X 4 PRO HG2 H 1 2.061 0.003 X 4 PRO C C 13 177.171 0.000 X 4 PRO CA C 13 63.211 0.136 X 4 PRO CB C 13 31.682 0.366 X 4 PRO CD C 13 50.338 0.285 X 4 PRO CG C 13 27.249 0.096 X 5 GLU H H 1 8.571 0.005 X 5 GLU HA H 1 4.209 0.002 X 5 GLU HBx H 1 1.942 0.006 X 5 GLU HBy H 1 2.039 0.009 X 5 GLU HG2 H 1 2.288 0.009 X 5 GLU C C 13 176.172 0.113 X 5 GLU CA C 13 56.520 0.076 X 5 GLU CB C 13 29.828 0.171 X 5 GLU CG C 13 36.220 0.000 X 5 GLU N N 15 120.167 0.092 X 6 ALA H H 1 8.151 0.009 X 6 ALA HA H 1 4.301 0.003 X 6 ALA HB% H 1 1.325 0.008 X 6 ALA C C 13 176.743 0.189 X 6 ALA CA C 13 51.482 0.144 X 6 ALA CB C 13 19.509 0.240 X 6 ALA N N 15 124.437 0.077 X 7 ASP H H 1 8.298 0.013 X 7 ASP HA H 1 4.736 0.008 X 7 ASP HB2 H 1 2.594 0.008 X 7 ASP C C 13 175.962 0.000 X 7 ASP CA C 13 51.861 0.135 X 7 ASP CB C 13 42.560 0.232 X 7 ASP N N 15 123.102 0.066 X 8 PRO HA H 1 4.215 0.005 X 8 PRO HBx H 1 1.962 0.012 X 8 PRO HBy H 1 2.384 0.011 X 8 PRO HDx H 1 3.691 0.007 X 8 PRO HDy H 1 3.823 0.006 X 8 PRO HG2 H 1 2.059 0.008 X 8 PRO C C 13 178.810 0.000 X 8 PRO CA C 13 64.888 0.111 X 8 PRO CB C 13 31.863 0.211 X 8 PRO CD C 13 50.751 0.226 X 8 PRO CG C 13 27.513 0.112 X 9 ARG H H 1 8.742 0.010 X 9 ARG HA H 1 4.004 0.005 X 9 ARG HBx H 1 1.097 0.014 X 9 ARG HBy H 1 1.402 0.011 X 9 ARG HDx H 1 3.128 0.029 X 9 ARG HDy H 1 3.288 0.002 X 9 ARG HE H 1 7.502 0.001 X 9 ARG HG2 H 1 1.636 0.015 X 9 ARG C C 13 180.053 0.226 X 9 ARG CA C 13 58.086 0.016 X 9 ARG CB C 13 29.791 0.180 X 9 ARG CD C 13 43.371 0.302 X 9 ARG CG C 13 26.510 0.260 X 9 ARG N N 15 117.067 0.065 X 9 ARG NE N 15 124.722 0.041 X 10 LEU H H 1 7.290 0.007 X 10 LEU HA H 1 3.885 0.011 X 10 LEU HBx H 1 1.505 0.007 X 10 LEU HBy H 1 2.062 0.003 X 10 LEU HDx% H 1 1.078 0.023 X 10 LEU HDy% H 1 1.095 0.010 X 10 LEU HG H 1 1.590 0.017 X 10 LEU C C 13 177.150 0.000 X 10 LEU CA C 13 57.535 0.208 X 10 LEU CB C 13 40.286 0.139 X 10 LEU CDx C 13 23.128 0.194 X 10 LEU CDy C 13 25.997 0.237 X 10 LEU CG C 13 27.483 0.162 X 10 LEU N N 15 121.269 0.098 X 11 ILE H H 1 7.418 0.006 X 11 ILE HA H 1 3.588 0.010 X 11 ILE HB H 1 1.883 0.008 X 11 ILE HD1% H 1 0.783 0.011 X 11 ILE HG1x H 1 1.252 0.013 X 11 ILE HG1y H 1 1.489 0.007 X 11 ILE HG2% H 1 0.913 0.010 X 11 ILE C C 13 179.506 0.260 X 11 ILE CA C 13 64.085 0.046 X 11 ILE CB C 13 37.269 0.197 X 11 ILE CD1 C 13 11.587 0.067 X 11 ILE CG1 C 13 28.306 0.298 X 11 ILE CG2 C 13 16.964 0.059 X 11 ILE N N 15 117.340 0.099 X 12 GLU H H 1 7.896 0.005 X 12 GLU HA H 1 4.141 0.006 X 12 GLU HBx H 1 2.026 0.010 X 12 GLU HBy H 1 2.067 0.023 X 12 GLU HG2 H 1 2.298 0.007 X 12 GLU C C 13 179.262 0.253 X 12 GLU CA C 13 59.180 0.145 X 12 GLU CB C 13 29.752 0.273 X 12 GLU CG C 13 35.763 0.120 X 12 GLU N N 15 119.142 0.098 X 13 SER H H 1 7.939 0.002 X 13 SER HA H 1 4.259 0.004 X 13 SER HBx H 1 3.877 0.018 X 13 SER HBy H 1 3.988 0.027 X 13 SER C C 13 176.629 0.000 X 13 SER CA C 13 62.367 0.201 X 13 SER CB C 13 62.910 0.170 X 13 SER N N 15 116.264 0.051 X 14 LEU H H 1 8.922 0.003 X 14 LEU HA H 1 3.727 0.006 X 14 LEU HBx H 1 1.468 0.006 X 14 LEU HBy H 1 1.667 0.007 X 14 LEU HDx% H 1 0.627 0.020 X 14 LEU HDy% H 1 0.667 0.023 X 14 LEU HG H 1 1.460 0.011 X 14 LEU C C 13 179.308 0.000 X 14 LEU CA C 13 58.320 0.074 X 14 LEU CB C 13 42.068 0.074 X 14 LEU CDx C 13 24.188 0.043 X 14 LEU CDy C 13 24.619 0.000 X 14 LEU CG C 13 26.852 0.131 X 14 LEU N N 15 124.137 0.076 X 15 SER H H 1 7.958 0.005 X 15 SER HA H 1 4.147 0.006 X 15 SER HB2 H 1 4.051 0.008 X 15 SER C C 13 177.814 0.000 X 15 SER CA C 13 62.106 0.230 X 15 SER CB C 13 62.504 0.064 X 15 SER N N 15 113.682 0.103 X 16 GLN H H 1 7.834 0.004 X 16 GLN HA H 1 4.159 0.009 X 16 GLN HBx H 1 2.093 0.009 X 16 GLN HBy H 1 2.272 0.013 X 16 GLN HE21 H 1 6.804 0.001 X 16 GLN HE22 H 1 7.443 0.004 X 16 GLN HGx H 1 2.427 0.006 X 16 GLN HGy H 1 2.555 0.005 X 16 GLN C C 13 179.974 0.167 X 16 GLN CA C 13 59.027 0.147 X 16 GLN CB C 13 28.304 0.164 X 16 GLN CG C 13 32.712 0.054 X 16 GLN N N 15 120.928 0.061 X 16 GLN NE2 N 15 111.086 0.084 X 17 MET H H 1 8.176 0.004 X 17 MET HA H 1 4.457 0.007 X 17 MET HBx H 1 1.937 0.005 X 17 MET HBy H 1 2.099 0.006 X 17 MET HE% H 1 1.195 0.008 X 17 MET HGx H 1 2.458 0.023 X 17 MET HGy H 1 2.551 0.006 X 17 MET C C 13 179.920 0.255 X 17 MET CA C 13 58.879 0.253 X 17 MET CB C 13 31.861 0.132 X 17 MET CE C 13 16.757 0.082 X 17 MET CG C 13 32.074 0.159 X 17 MET N N 15 118.418 0.054 X 18 LEU H H 1 9.066 0.006 X 18 LEU HA H 1 4.566 0.005 X 18 LEU HBx H 1 1.785 0.027 X 18 LEU HBy H 1 1.843 0.022 X 18 LEU HDx% H 1 0.840 0.008 X 18 LEU HDy% H 1 0.851 0.008 X 18 LEU HG H 1 1.800 0.008 X 18 LEU C C 13 182.335 0.000 X 18 LEU CA C 13 58.059 0.222 X 18 LEU CB C 13 40.553 0.192 X 18 LEU CDx C 13 24.063 0.082 X 18 LEU CDy C 13 24.077 0.000 X 18 LEU CG C 13 27.472 0.135 X 18 LEU N N 15 124.499 0.083 X 19 SER H H 1 7.849 0.004 X 19 SER HA H 1 4.380 0.008 X 19 SER HB2 H 1 4.094 0.018 X 19 SER C C 13 175.295 0.000 X 19 SER CA C 13 61.417 0.073 X 19 SER CB C 13 63.115 0.248 X 19 SER N N 15 116.388 0.134 X 20 MET H H 1 7.468 0.006 X 20 MET HA H 1 4.484 0.014 X 20 MET HBx H 1 2.476 0.020 X 20 MET HBy H 1 2.546 0.016 X 20 MET HE% H 1 2.143 0.011 X 20 MET HGx H 1 2.706 0.011 X 20 MET HGy H 1 2.886 0.011 X 20 MET C C 13 176.012 0.108 X 20 MET CA C 13 56.235 0.240 X 20 MET CB C 13 34.060 0.352 X 20 MET CE C 13 17.480 0.000 X 20 MET CG C 13 32.345 0.211 X 20 MET N N 15 118.770 0.098 X 21 GLY H H 1 7.953 0.004 X 21 GLY HAx H 1 3.720 0.008 X 21 GLY HAy H 1 4.202 0.007 X 21 GLY C C 13 174.523 0.000 X 21 GLY CA C 13 44.990 0.096 X 21 GLY N N 15 106.010 0.088 X 22 PHE H H 1 7.552 0.006 X 22 PHE HA H 1 5.045 0.011 X 22 PHE HBx H 1 2.598 0.009 X 22 PHE HBy H 1 3.211 0.007 X 22 PHE HDx H 1 7.680 0.011 X 22 PHE HDy H 1 7.680 0.011 X 22 PHE HEx H 1 7.126 0.007 X 22 PHE HEy H 1 7.126 0.007 X 22 PHE HZ H 1 6.456 0.009 X 22 PHE C C 13 173.375 0.000 X 22 PHE CA C 13 58.204 0.110 X 22 PHE CB C 13 40.218 0.204 X 22 PHE CDx C 13 131.648 0.080 X 22 PHE CDy C 13 131.648 0.080 X 22 PHE CEx C 13 131.495 0.291 X 22 PHE CEy C 13 131.495 0.291 X 22 PHE CZ C 13 130.294 0.190 X 22 PHE N N 15 118.431 0.070 X 23 SER H H 1 8.506 0.007 X 23 SER HA H 1 4.559 0.009 X 23 SER HBx H 1 4.010 0.005 X 23 SER HBy H 1 4.122 0.012 X 23 SER C C 13 171.767 0.135 X 23 SER CA C 13 56.830 0.181 X 23 SER CB C 13 64.931 0.094 X 23 SER N N 15 114.987 0.104 X 24 ASP H H 1 8.456 0.007 X 24 ASP HA H 1 4.825 0.011 X 24 ASP HBx H 1 1.873 0.010 X 24 ASP HBy H 1 2.609 0.013 X 24 ASP C C 13 178.183 0.232 X 24 ASP CA C 13 52.217 0.370 X 24 ASP CB C 13 42.107 0.186 X 24 ASP N N 15 118.581 0.060 X 25 GLU H H 1 9.124 0.027 X 25 GLU HA H 1 4.220 0.014 X 25 GLU HBx H 1 2.142 0.014 X 25 GLU HBy H 1 2.156 0.008 X 25 GLU HGx H 1 2.415 0.020 X 25 GLU HGy H 1 2.434 0.013 X 25 GLU C C 13 178.380 0.158 X 25 GLU CA C 13 58.209 0.054 X 25 GLU CB C 13 29.094 0.252 X 25 GLU CG C 13 35.990 0.382 X 25 GLU N N 15 124.770 0.064 X 26 GLY H H 1 8.999 0.007 X 26 GLY HAx H 1 3.854 0.009 X 26 GLY HAy H 1 4.414 0.018 X 26 GLY C C 13 175.532 0.120 X 26 GLY CA C 13 45.977 0.175 X 26 GLY N N 15 112.650 0.057 X 27 GLY H H 1 8.334 0.003 X 27 GLY HAx H 1 4.009 0.022 X 27 GLY HAy H 1 4.223 0.028 X 27 GLY C C 13 177.596 0.027 X 27 GLY CA C 13 46.400 0.069 X 27 GLY N N 15 106.772 0.141 X 28 TRP H H 1 7.325 0.004 X 28 TRP HA H 1 4.158 0.011 X 28 TRP HBx H 1 2.938 0.008 X 28 TRP HBy H 1 4.121 0.012 X 28 TRP HD1 H 1 8.550 0.011 X 28 TRP HE1 H 1 10.157 0.011 X 28 TRP HE3 H 1 7.655 0.009 X 28 TRP HH2 H 1 6.805 0.010 X 28 TRP HZ2 H 1 7.646 0.007 X 28 TRP HZ3 H 1 6.591 0.017 X 28 TRP C C 13 174.457 0.018 X 28 TRP CA C 13 60.276 0.127 X 28 TRP CB C 13 27.977 0.133 X 28 TRP CD1 C 13 128.139 0.162 X 28 TRP CE3 C 13 120.642 0.203 X 28 TRP CH2 C 13 123.260 0.233 X 28 TRP CZ2 C 13 115.336 0.119 X 28 TRP CZ3 C 13 121.371 0.410 X 28 TRP N N 15 120.213 0.097 X 28 TRP NE1 N 15 132.141 0.072 X 29 LEU H H 1 6.946 0.004 X 29 LEU HA H 1 3.229 0.005 X 29 LEU HBx H 1 -0.719 0.016 X 29 LEU HBy H 1 0.958 0.024 X 29 LEU HDx% H 1 0.322 0.013 X 29 LEU HDy% H 1 0.857 0.013 X 29 LEU HG H 1 0.269 0.006 X 29 LEU C C 13 179.216 0.000 X 29 LEU CA C 13 56.385 0.091 X 29 LEU CB C 13 39.374 0.198 X 29 LEU CDy C 13 26.126 0.166 X 29 LEU CDx C 13 25.968 0.000 X 29 LEU CG C 13 22.074 0.057 X 29 LEU N N 15 128.340 0.108 X 30 THR H H 1 8.858 0.007 X 30 THR HA H 1 3.507 0.005 X 30 THR HB H 1 4.047 0.010 X 30 THR HG2% H 1 1.113 0.007 X 30 THR C C 13 176.055 0.000 X 30 THR CA C 13 68.968 0.203 X 30 THR CB C 13 67.660 0.281 X 30 THR CG2 C 13 21.190 0.127 X 30 THR N N 15 121.036 0.059 X 31 ARG H H 1 7.701 0.007 X 31 ARG HA H 1 4.242 0.006 X 31 ARG HBx H 1 1.979 0.008 X 31 ARG HBy H 1 2.133 0.008 X 31 ARG HD2 H 1 3.351 0.008 X 31 ARG HG2 H 1 1.631 0.008 X 31 ARG C C 13 179.335 0.103 X 31 ARG CA C 13 58.197 0.099 X 31 ARG CB C 13 29.751 0.280 X 31 ARG CD C 13 42.623 0.117 X 31 ARG CG C 13 26.722 0.284 X 31 ARG N N 15 118.178 0.129 X 32 LEU H H 1 8.297 0.009 X 32 LEU HA H 1 3.959 0.007 X 32 LEU HBx H 1 1.385 0.028 X 32 LEU HBy H 1 1.843 0.012 X 32 LEU HDx% H 1 0.174 0.010 X 32 LEU HDy% H 1 0.347 0.015 X 32 LEU HG H 1 0.899 0.028 X 32 LEU C C 13 178.217 0.148 X 32 LEU CA C 13 58.289 0.068 X 32 LEU CB C 13 40.971 0.110 X 32 LEU CDx C 13 21.909 0.053 X 32 LEU CDy C 13 26.088 0.156 X 32 LEU CG C 13 27.127 0.113 X 32 LEU N N 15 123.069 0.083 X 33 LEU H H 1 8.802 0.005 X 33 LEU HA H 1 3.482 0.008 X 33 LEU HBx H 1 1.005 0.021 X 33 LEU HBy H 1 1.904 0.007 X 33 LEU HDx% H 1 0.515 0.013 X 33 LEU HDy% H 1 0.608 0.017 X 33 LEU HG H 1 1.391 0.014 X 33 LEU C C 13 179.626 0.000 X 33 LEU CA C 13 58.200 0.094 X 33 LEU CB C 13 41.885 0.152 X 33 LEU CDx C 13 22.072 0.090 X 33 LEU CDy C 13 25.104 0.164 X 33 LEU CG C 13 27.202 0.190 X 33 LEU N N 15 117.854 0.081 X 34 GLN H H 1 8.507 0.003 X 34 GLN HA H 1 3.426 0.007 X 34 GLN HBx H 1 1.967 0.010 X 34 GLN HBy H 1 2.378 0.010 X 34 GLN HE21 H 1 6.938 0.035 X 34 GLN HE22 H 1 7.383 0.017 X 34 GLN HGx H 1 2.545 0.007 X 34 GLN HGy H 1 2.727 0.011 X 34 GLN C C 13 180.096 0.000 X 34 GLN CA C 13 59.406 0.128 X 34 GLN CB C 13 28.137 0.258 X 34 GLN CG C 13 34.341 0.191 X 34 GLN N N 15 118.030 0.076 X 34 GLN NE2 N 15 110.850 0.088 X 35 THR H H 1 8.045 0.005 X 35 THR HA H 1 4.021 0.008 X 35 THR HB H 1 4.350 0.003 X 35 THR HG2% H 1 1.311 0.008 X 35 THR C C 13 175.497 0.236 X 35 THR CA C 13 66.116 0.135 X 35 THR CB C 13 69.052 0.050 X 35 THR CG2 C 13 20.585 0.264 X 35 THR N N 15 116.320 0.068 X 36 LYS H H 1 7.427 0.005 X 36 LYS HA H 1 4.470 0.004 X 36 LYS HBx H 1 1.511 0.009 X 36 LYS HBy H 1 2.188 0.012 X 36 LYS HDx H 1 1.379 0.012 X 36 LYS HDy H 1 1.514 0.014 X 36 LYS HEx H 1 2.567 0.006 X 36 LYS HEy H 1 2.931 0.010 X 36 LYS HG2 H 1 0.892 0.017 X 36 LYS C C 13 176.278 0.094 X 36 LYS CA C 13 52.536 0.228 X 36 LYS CB C 13 29.933 0.273 X 36 LYS CD C 13 27.293 0.305 X 36 LYS CE C 13 42.069 0.051 X 36 LYS CG C 13 23.598 0.261 X 36 LYS N N 15 117.159 0.096 X 37 ASN H H 1 7.714 0.003 X 37 ASN HA H 1 3.725 0.005 X 37 ASN HBx H 1 2.562 0.008 X 37 ASN HBy H 1 3.050 0.006 X 37 ASN HD21 H 1 6.852 0.001 X 37 ASN HD22 H 1 7.565 0.005 X 37 ASN C C 13 174.334 0.085 X 37 ASN CA C 13 54.652 0.233 X 37 ASN CB C 13 37.196 0.180 X 37 ASN N N 15 118.722 0.121 X 37 ASN ND2 N 15 112.118 0.037 X 38 TYR H H 1 8.496 0.004 X 38 TYR HA H 1 3.401 0.007 X 38 TYR HBx H 1 3.086 0.008 X 38 TYR HBy H 1 3.098 0.006 X 38 TYR HDx H 1 6.674 0.013 X 38 TYR HDy H 1 6.674 0.013 X 38 TYR HEx H 1 6.712 0.006 X 38 TYR HEy H 1 6.712 0.006 X 38 TYR C C 13 173.110 0.199 X 38 TYR CA C 13 58.965 0.175 X 38 TYR CB C 13 34.822 0.152 X 38 TYR CDx C 13 132.530 0.157 X 38 TYR CDy C 13 132.530 0.157 X 38 TYR CEx C 13 118.135 0.161 X 38 TYR CEy C 13 118.135 0.161 X 38 TYR N N 15 107.424 0.119 X 39 ASP H H 1 7.105 0.006 X 39 ASP HA H 1 4.657 0.004 X 39 ASP HBx H 1 2.529 0.002 X 39 ASP HBy H 1 3.072 0.004 X 39 ASP C C 13 175.825 0.176 X 39 ASP CA C 13 53.162 0.188 X 39 ASP CB C 13 41.804 0.111 X 39 ASP N N 15 119.972 0.093 X 40 ILE H H 1 8.453 0.009 X 40 ILE HA H 1 3.483 0.009 X 40 ILE HB H 1 1.839 0.007 X 40 ILE HD1% H 1 0.881 0.006 X 40 ILE HG1x H 1 1.173 0.021 X 40 ILE HG1y H 1 1.620 0.017 X 40 ILE HG2% H 1 0.890 0.004 X 40 ILE C C 13 177.707 0.301 X 40 ILE CA C 13 64.522 0.114 X 40 ILE CB C 13 37.741 0.177 X 40 ILE CD1 C 13 13.679 0.223 X 40 ILE CG1 C 13 28.272 0.408 X 40 ILE CG2 C 13 17.248 0.480 X 40 ILE N N 15 127.273 0.102 X 41 GLY H H 1 8.188 0.007 X 41 GLY HAx H 1 3.693 0.008 X 41 GLY HAy H 1 3.925 0.008 X 41 GLY C C 13 176.818 0.286 X 41 GLY CA C 13 47.360 0.127 X 41 GLY N N 15 107.627 0.112 X 42 ALA H H 1 8.053 0.003 X 42 ALA HA H 1 4.282 0.005 X 42 ALA HB% H 1 1.496 0.007 X 42 ALA C C 13 181.824 0.340 X 42 ALA CA C 13 54.002 0.148 X 42 ALA CB C 13 18.441 0.206 X 42 ALA N N 15 124.159 0.110 X 43 ALA H H 1 8.265 0.004 X 43 ALA HA H 1 3.651 0.005 X 43 ALA HB% H 1 1.136 0.007 X 43 ALA C C 13 178.537 0.000 X 43 ALA CA C 13 55.937 0.244 X 43 ALA CB C 13 17.149 0.325 X 43 ALA N N 15 123.552 0.124 X 44 LEU H H 1 8.651 0.009 X 44 LEU HA H 1 3.928 0.015 X 44 LEU HBx H 1 1.577 0.011 X 44 LEU HBy H 1 2.058 0.004 X 44 LEU HDx% H 1 0.453 0.010 X 44 LEU HDy% H 1 0.823 0.017 X 44 LEU HG H 1 1.887 0.005 X 44 LEU C C 13 179.422 0.000 X 44 LEU CA C 13 57.403 0.187 X 44 LEU CB C 13 40.626 0.204 X 44 LEU CDx C 13 22.256 0.069 X 44 LEU CDy C 13 25.688 0.096 X 44 LEU CG C 13 26.076 0.214 X 44 LEU N N 15 116.856 0.053 X 45 ASP H H 1 8.065 0.006 X 45 ASP HA H 1 4.571 0.005 X 45 ASP HBx H 1 2.763 0.039 X 45 ASP HBy H 1 2.848 0.025 X 45 ASP C C 13 180.665 0.000 X 45 ASP CA C 13 57.218 0.189 X 45 ASP CB C 13 40.536 0.101 X 45 ASP N N 15 118.683 0.092 X 46 THR H H 1 7.970 0.004 X 46 THR HA H 1 4.074 0.012 X 46 THR HB H 1 4.245 0.004 X 46 THR HG2% H 1 1.271 0.017 X 46 THR C C 13 175.947 0.148 X 46 THR CA C 13 67.480 0.125 X 46 THR CB C 13 68.727 0.162 X 46 THR CG2 C 13 21.995 0.154 X 46 THR N N 15 119.655 0.064 X 47 ILE H H 1 7.326 0.003 X 47 ILE HA H 1 4.759 0.004 X 47 ILE HB H 1 2.548 0.009 X 47 ILE HD1% H 1 0.702 0.005 X 47 ILE HG1x H 1 1.558 0.011 X 47 ILE HG1y H 1 1.587 0.024 X 47 ILE HG2% H 1 0.553 0.006 X 47 ILE C C 13 174.272 0.400 X 47 ILE CA C 13 61.807 0.099 X 47 ILE CB C 13 36.976 0.194 X 47 ILE CD1 C 13 14.845 0.068 X 47 ILE CG1 C 13 26.610 0.132 X 47 ILE CG2 C 13 18.206 0.109 X 47 ILE N N 15 110.755 0.116 X 48 GLN H H 1 7.856 0.003 X 48 GLN HA H 1 4.032 0.005 X 48 GLN HBx H 1 2.374 0.007 X 48 GLN HBy H 1 2.587 0.011 X 48 GLN HE21 H 1 4.541 0.004 X 48 GLN HE22 H 1 6.204 0.003 X 48 GLN HGx H 1 2.006 0.020 X 48 GLN HGy H 1 2.075 0.001 X 48 GLN C C 13 174.955 0.000 X 48 GLN CA C 13 57.094 0.339 X 48 GLN CB C 13 26.066 0.225 X 48 GLN CG C 13 34.760 0.105 X 48 GLN N N 15 115.695 0.148 X 48 GLN NE2 N 15 107.602 0.193 X 49 TYR H H 1 8.447 0.007 X 49 TYR HA H 1 4.875 0.019 X 49 TYR HBx H 1 2.913 0.007 X 49 TYR HBy H 1 3.217 0.006 X 49 TYR HDx H 1 7.318 0.008 X 49 TYR HDy H 1 7.318 0.008 X 49 TYR HEx H 1 6.897 0.006 X 49 TYR HEy H 1 6.897 0.006 X 49 TYR C C 13 176.516 0.000 X 49 TYR CA C 13 59.081 0.193 X 49 TYR CB C 13 40.160 0.109 X 49 TYR CDx C 13 133.646 0.202 X 49 TYR CDy C 13 133.646 0.202 X 49 TYR CEx C 13 118.226 0.139 X 49 TYR CEy C 13 118.226 0.139 X 49 TYR N N 15 119.449 0.169 X 50 SER H H 1 8.037 0.010 X 50 SER HA H 1 4.353 0.003 X 50 SER HB2 H 1 3.690 0.005 X 50 SER C C 13 173.557 0.192 X 50 SER CA C 13 57.455 0.111 X 50 SER CB C 13 64.067 0.194 X 50 SER N N 15 120.808 0.074 X 51 LYS H H 1 7.895 0.022 X 51 LYS HA H 1 4.210 0.006 X 51 LYS HBx H 1 1.663 0.012 X 51 LYS HBy H 1 1.823 0.005 X 51 LYS HD2 H 1 1.700 0.014 X 51 LYS HE2 H 1 3.013 0.008 X 51 LYS HG2 H 1 1.405 0.011 X 51 LYS C C 13 175.487 0.000 X 51 LYS CA C 13 56.445 0.273 X 51 LYS CB C 13 32.924 0.205 X 51 LYS CD C 13 29.058 0.063 X 51 LYS CE C 13 42.236 0.318 X 51 LYS CG C 13 24.659 0.039 X 51 LYS N N 15 123.797 0.090 X 52 HIS H H 1 8.042 0.026 X 52 HIS HA H 1 4.465 0.005 X 52 HIS HBx H 1 3.093 0.032 X 52 HIS HBy H 1 3.213 0.024 X 52 HIS HD2 H 1 7.143 0.000 X 52 HIS HE1 H 1 8.367 0.000 X 52 HIS C C 13 179.642 0.000 X 52 HIS CA C 13 56.756 0.105 X 52 HIS CB C 13 30.375 0.204 X 52 HIS CD2 C 13 119.918 0.000 X 52 HIS CE1 C 13 136.426 0.000 X 52 HIS N N 15 125.500 0.110 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 X 7 ASP H X 38 TYR HE% 1.0 1.8 7.5 2 2 X 9 ARG HE X 38 TYR HD% 1.0 1.8 7.5 3 3 X 38 TYR HD% X 9 ARG H 1.0 1.8 7.5 4 4 X 38 TYR HD% X 10 LEU HA 1.0 1.8 6.5 5 5 X 38 TYR HE% X 10 LEU HDx% 1.0 1.8 7.5 6 6 X 38 TYR HE% X 10 LEU HDy% 1.0 1.8 5.3 7 7 X 38 TYR HD% X 10 LEU H 1.0 1.8 6.5 8 8 X 38 TYR HD% X 11 ILE H 1.0 1.8 7.5 9 9 X 38 TYR HD% X 14 LEU H 1.0 1.8 7.5 10 10 X 17 MET H X 17 MET HE% 1.0 1.8 7.5 11 11 X 17 MET HE% X 22 PHE HD% 1.0 1.8 6.5 12 12 X 17 MET H X 22 PHE HD% 1.0 1.8 7.5 13 13 X 17 MET HE% X 29 LEU HDx% 1.0 1.8 5.0 14 14 X 17 MET HE% X 18 LEU H 1.0 1.8 7.5 15 15 X 22 PHE HD% X 18 LEU H 1.0 1.8 7.5 16 16 X 20 MET H X 20 MET HE% 1.0 1.8 7.5 17 17 X 22 PHE HD% X 20 MET H 1.0 1.8 7.5 18 18 X 20 MET HE% X 21 GLY H 1.0 1.8 7.5 19 19 X 22 PHE HD% X 21 GLY H 1.0 1.8 7.5 20 20 X 22 PHE HD% X 17 MET HBy 1.0 1.8 8.5 21 21 X 22 PHE HD% X 17 MET HBx 1.0 1.8 8.5 22 22 X 17 MET HE% X 22 PHE HZ 1.0 1.8 8.5 23 23 X 22 PHE HD% X 22 PHE H 1.0 1.8 5.3 24 24 X 22 PHE HD% X 22 PHE HBy 1.0 1.8 6.5 25 25 X 22 PHE HD% X 22 PHE HBx 1.0 1.8 7.5 26 26 X 22 PHE HD% X 22 PHE HA 1.0 1.8 7.5 27 27 X 22 PHE HD% X 22 PHE HBy 1.0 1.8 7.5 28 28 X 22 PHE HD% X 22 PHE HE% 1.0 1.8 5.3 29 29 X 22 PHE HD% X 22 PHE HZ 1.0 1.8 8.5 30 30 X 22 PHE HZ X 22 PHE HE% 1.0 1.8 6.5 31 31 X 22 PHE HD% X 47 ILE HA 1.0 1.8 8.5 32 32 X 22 PHE HE% X 47 ILE HA 1.0 1.8 7.5 33 33 X 22 PHE HD% X 23 SER H 1.0 1.8 5.3 34 34 X 22 PHE HE% X 23 SER H 1.0 1.8 7.5 35 35 X 38 TYR HD% X 33 LEU HBy 1.0 1.8 7.5 36 36 X 38 TYR HE% X 34 GLN H 1.0 1.8 7.5 37 37 X 38 TYR HE% X 37 ASN HA 1.0 1.8 7.5 38 38 X 38 TYR HD% X 37 ASN H 1.0 1.8 7.5 39 39 X 38 TYR HD% X 10 LEU HBx 1.0 1.8 8.5 40 40 X 38 TYR HD% X 10 LEU HDx% 1.0 1.8 7.5 41 41 X 38 TYR HE% X 10 LEU HA 1.0 1.8 7.5 42 42 X 38 TYR HE% X 10 LEU HBy 1.0 1.8 7.5 43 43 X 38 TYR HE% X 10 LEU HBx 1.0 1.8 6.5 44 44 X 38 TYR HE% X 10 LEU H 1.0 1.8 7.5 45 45 X 38 TYR HD% X 12 GLU H 1.0 1.8 8.5 46 46 X 38 TYR HE% X 12 GLU H 1.0 1.8 8.5 47 47 X 38 TYR HD% X 33 LEU HBx 1.0 1.8 8.5 48 48 X 38 TYR HD% X 33 LEU HDy% 1.0 1.8 8.5 49 49 X 38 TYR HE% X 33 LEU HBx 1.0 1.8 8.5 50 50 X 38 TYR HE% X 33 LEU HDx% 1.0 1.8 8.5 51 51 X 38 TYR HE% X 34 GLN HA 1.0 1.8 7.5 52 52 X 38 TYR HE% X 34 GLN HE21 1.0 1.8 7.5 53 53 X 38 TYR HE% X 34 GLN HGy 1.0 1.8 7.5 54 54 X 38 TYR HE% X 34 GLN HGx 1.0 1.8 7.5 55 55 X 38 TYR HD% X 38 TYR H 1.0 1.8 5.3 56 56 X 38 TYR HD% X 38 TYR HA 1.0 1.8 6.5 57 57 X 38 TYR HD% X 38 TYR HBy 1.0 1.8 6.5 58 58 X 38 TYR HD% X 38 TYR HBx 1.0 1.8 6.5 59 59 X 38 TYR HE% X 38 TYR HBx 1.0 1.8 7.5 60 60 X 38 TYR HE% X 38 TYR H 1.0 1.8 8.5 61 61 X 38 TYR HD% X 39 ASP H 1.0 1.8 7.5 62 62 X 44 LEU HDx% X 49 TYR HD% 1.0 1.8 6.5 63 63 X 22 PHE HE% X 47 ILE HD1% 1.0 1.8 6.5 64 64 X 22 PHE HE% X 47 ILE H 1.0 1.8 7.5 65 65 X 47 ILE H X 49 TYR HE% 1.0 1.8 7.5 66 66 X 22 PHE HE% X 48 GLN HE22 1.0 1.8 7.5 67 67 X 22 PHE HD% X 48 GLN H 1.0 1.8 7.5 68 68 X 49 TYR HE% X 48 GLN HE22 1.0 1.8 7.5 69 69 X 49 TYR HD% X 48 GLN H 1.0 1.8 6.5 70 70 X 22 PHE HZ X 49 TYR HD% 1.0 1.8 8.5 71 71 X 22 PHE HZ X 49 TYR HE% 1.0 1.8 7.5 72 72 X 49 TYR HD% X 44 LEU HBy 1.0 1.8 8.5 73 73 X 49 TYR HD% X 44 LEU HDy% 1.0 1.8 7.5 74 74 X 44 LEU HDx% X 49 TYR HE% 1.0 1.8 8.5 75 75 X 49 TYR HE% X 44 LEU HDy% 1.0 1.8 7.5 76 76 X 49 TYR HD% X 48 GLN HBy 1.0 1.8 8.5 77 77 X 49 TYR HE% X 48 GLN HBy 1.0 1.8 7.5 78 78 X 49 TYR HE% X 49 TYR H 1.0 1.8 7.5 79 79 X 49 TYR HD% X 49 TYR HA 1.0 1.8 6.5 80 80 X 49 TYR HD% X 49 TYR HBy 1.0 1.8 7.5 81 81 X 49 TYR HD% X 49 TYR HBx 1.0 1.8 7.5 82 82 X 49 TYR HD% X 49 TYR HA 1.0 1.8 7.5 83 83 X 49 TYR HE% X 49 TYR HBy 1.0 1.8 8.5 84 84 X 49 TYR HE% X 49 TYR HBx 1.0 1.8 8.5 85 85 X 49 TYR HD% X 49 TYR HE% 1.0 1.8 5.0 86 86 X 49 TYR HD% X 50 SER H 1.0 1.8 6.5 87 87 X 49 TYR HE% X 50 SER H 1.0 1.8 7.5 88 88 X 49 TYR HD% X 51 LYS H 1.0 1.8 7.5 89 89 X 49 TYR HE% X 51 LYS H 1.0 1.8 7.5 90 90 X 5 GLU H X 6 ALA H 1.0 1.8 4.5 91 91 X 7 ASP H X 10 LEU H 1.0 1.8 5.5 92 92 X 7 ASP H X 11 ILE H 1.0 1.8 5.5 93 93 X 9 ARG H X 10 LEU H 1.0 1.8 3.3 94 94 X 10 LEU H X 11 ILE H 1.0 1.8 4.5 95 95 X 10 LEU H X 12 GLU H 1.0 1.8 5.5 96 96 X 9 ARG H X 11 ILE H 1.0 1.8 5.5 97 97 X 7 ASP H X 12 GLU H 1.0 1.8 5.5 98 98 X 11 ILE H X 12 GLU H 1.0 1.8 3.3 99 99 X 14 LEU H X 12 GLU H 1.0 1.8 5.5 100 100 X 10 LEU H X 14 LEU H 1.0 1.8 5.5 101 101 X 14 LEU H X 13 SER H 1.0 1.8 3.3 102 102 X 14 LEU H X 16 GLN H 1.0 1.8 4.5 103 103 X 10 LEU H X 15 SER H 1.0 1.8 5.5 104 104 X 14 LEU H X 15 SER H 1.0 1.8 4.5 105 105 X 16 GLN H X 15 SER H 1.0 1.8 3.3 106 106 X 17 MET H X 15 SER H 1.0 1.8 5.5 107 107 X 17 MET H X 16 GLN H 1.0 1.8 3.3 108 108 X 18 LEU H X 16 GLN H 1.0 1.8 5.5 109 109 X 17 MET H X 18 LEU H 1.0 1.8 4.5 110 110 X 18 LEU H X 15 SER H 1.0 1.8 4.5 111 111 X 18 LEU H X 19 SER H 1.0 1.8 3.3 112 112 X 18 LEU H X 20 MET H 1.0 1.8 5.5 113 113 X 17 MET H X 19 SER H 1.0 1.8 5.5 114 114 X 20 MET H X 19 SER H 1.0 1.8 4.5 115 115 X 21 GLY H X 19 SER H 1.0 1.8 4.5 116 116 X 20 MET H X 21 GLY H 1.0 1.8 4.5 117 117 X 21 GLY H X 22 PHE H 1.0 1.8 3.3 118 118 X 22 PHE H X 19 SER H 1.0 1.8 5.5 119 119 X 20 MET H X 22 PHE H 1.0 1.8 4.5 120 120 X 22 PHE H X 23 SER H 1.0 1.8 5.5 121 121 X 24 ASP H X 25 GLU H 1.0 1.8 5.5 122 122 X 25 GLU H X 26 GLY H 1.0 1.8 4.5 123 123 X 25 GLU H X 27 GLY H 1.0 1.8 5.5 124 124 X 25 GLU H X 28 TRP H 1.0 1.8 5.5 125 125 X 25 GLU H X 29 LEU H 1.0 1.8 5.5 126 126 X 26 GLY H X 27 GLY H 1.0 1.8 4.5 127 127 X 27 GLY H X 28 TRP H 1.0 1.8 4.5 128 128 X 26 GLY H X 28 TRP H 1.0 1.8 5.5 129 129 X 28 TRP H X 29 LEU H 1.0 1.8 4.5 130 130 X 28 TRP H X 30 THR H 1.0 1.8 5.5 131 131 X 29 LEU H X 30 THR H 1.0 1.8 4.5 132 132 X 30 THR H X 31 ARG H 1.0 1.8 4.5 133 133 X 29 LEU H X 32 LEU H 1.0 1.8 5.5 134 134 X 31 ARG H X 32 LEU H 1.0 1.8 4.5 135 135 X 32 LEU H X 33 LEU H 1.0 1.8 4.5 136 136 X 34 GLN H X 33 LEU H 1.0 1.8 5.5 137 137 X 34 GLN H X 32 LEU H 1.0 1.8 5.5 138 138 X 34 GLN H X 35 THR H 1.0 1.8 5.5 139 139 X 35 THR H X 36 LYS H 1.0 1.8 5.5 140 140 X 37 ASN H X 36 LYS H 1.0 1.8 4.5 141 141 X 38 TYR H X 36 LYS H 1.0 1.8 5.5 142 142 X 37 ASN H X 35 THR H 1.0 1.8 5.5 143 143 X 37 ASN H X 39 ASP H 1.0 1.8 5.5 144 144 X 38 TYR H X 35 THR H 1.0 1.8 5.5 145 145 X 37 ASN H X 38 TYR H 1.0 1.8 3.3 146 146 X 39 ASP H X 36 LYS H 1.0 1.8 5.5 147 147 X 38 TYR H X 39 ASP H 1.0 1.8 3.3 148 148 X 39 ASP H X 42 ALA H 1.0 1.8 5.5 149 149 X 39 ASP H X 40 ILE H 1.0 1.8 4.5 150 150 X 40 ILE H X 41 GLY H 1.0 1.8 3.3 151 151 X 42 ALA H X 40 ILE H 1.0 1.8 5.5 152 152 X 42 ALA H X 41 GLY H 1.0 1.8 3.3 153 153 X 41 GLY H X 44 LEU H 1.0 1.8 5.5 154 154 X 42 ALA H X 43 ALA H 1.0 1.8 3.3 155 155 X 42 ALA H X 44 LEU H 1.0 1.8 5.5 156 156 X 39 ASP H X 43 ALA H 1.0 1.8 5.5 157 157 X 44 LEU H X 43 ALA H 1.0 1.8 3.3 158 158 X 44 LEU H X 45 ASP H 1.0 1.8 4.5 159 159 X 43 ALA H X 45 ASP H 1.0 1.8 5.5 160 160 X 45 ASP H X 46 THR H 1.0 1.8 3.3 161 161 X 47 ILE H X 45 ASP H 1.0 1.8 5.5 162 162 X 47 ILE H X 46 THR H 1.0 1.8 4.5 163 163 X 48 GLN H X 46 THR H 1.0 1.8 5.5 164 164 X 47 ILE H X 48 GLN H 1.0 1.8 4.5 165 165 X 48 GLN H X 49 TYR H 1.0 1.8 4.5 166 166 X 47 ILE H X 49 TYR H 1.0 1.8 4.5 167 167 X 49 TYR H X 50 SER H 1.0 1.8 4.5 168 168 X 50 SER H X 51 LYS H 1.0 1.8 3.3 169 169 X 5 GLU H X 4 PRO HA 1.0 1.8 3.0 170 170 X 5 GLU H X 5 GLU HA 1.0 1.8 3.3 171 171 X 6 ALA H X 4 PRO HA 1.0 1.8 5.5 172 172 X 6 ALA H X 5 GLU HA 1.0 1.8 3.0 173 173 X 6 ALA H X 6 ALA HA 1.0 1.8 3.3 174 174 X 7 ASP H X 4 PRO HA 1.0 1.8 5.5 175 175 X 7 ASP H X 6 ALA HA 1.0 1.8 3.0 176 176 X 7 ASP H X 7 ASP HA 1.0 1.8 3.3 177 177 X 9 ARG H X 7 ASP HA 1.0 1.8 5.5 178 178 X 9 ARG H X 9 ARG HA 1.0 1.8 4.5 179 179 X 10 LEU H X 8 PRO HA 1.0 1.8 5.5 180 180 X 10 LEU H X 9 ARG HA 1.0 1.8 4.5 181 181 X 10 LEU HA X 10 LEU H 1.0 1.8 4.5 182 182 X 10 LEU H X 11 ILE HA 1.0 1.8 5.5 183 183 X 11 ILE H X 8 PRO HA 1.0 1.8 4.5 184 184 X 10 LEU HA X 11 ILE H 1.0 1.8 5.5 185 185 X 11 ILE H X 11 ILE HA 1.0 1.8 4.5 186 186 X 12 GLU H X 9 ARG HA 1.0 1.8 4.5 187 187 X 12 GLU H X 11 ILE HA 1.0 1.8 4.5 188 188 X 12 GLU H X 12 GLU HA 1.0 1.8 3.3 189 189 X 13 SER H X 11 ILE HA 1.0 1.8 5.5 190 190 X 13 SER H X 12 GLU HA 1.0 1.8 4.5 191 191 X 13 SER H X 13 SER HA 1.0 1.8 3.3 192 192 X 13 SER H X 14 LEU HA 1.0 1.8 5.5 193 193 X 14 LEU H X 11 ILE HA 1.0 1.8 4.5 194 194 X 14 LEU H X 13 SER HA 1.0 1.8 4.5 195 195 X 14 LEU H X 14 LEU HA 1.0 1.8 3.3 196 196 X 14 LEU H X 15 SER HA 1.0 1.8 4.5 197 197 X 15 SER H X 11 ILE HA 1.0 1.8 4.5 198 198 X 15 SER H X 13 SER HA 1.0 1.8 5.5 199 199 X 15 SER H X 14 LEU HA 1.0 1.8 4.5 200 200 X 15 SER H X 15 SER HA 1.0 1.8 3.3 201 201 X 16 GLN H X 13 SER HA 1.0 1.8 4.5 202 202 X 16 GLN H X 14 LEU HA 1.0 1.8 5.5 203 203 X 16 GLN H X 16 GLN HA 1.0 1.8 3.0 204 204 X 16 GLN H X 17 MET HA 1.0 1.8 5.5 205 205 X 17 MET H X 13 SER HA 1.0 1.8 5.5 206 206 X 17 MET H X 14 LEU HA 1.0 1.8 5.5 207 207 X 17 MET H X 16 GLN HA 1.0 1.8 4.5 208 208 X 17 MET H X 17 MET HA 1.0 1.8 4.5 209 209 X 18 LEU H X 14 LEU HA 1.0 1.8 4.5 210 210 X 18 LEU H X 15 SER HA 1.0 1.8 3.3 211 211 X 18 LEU H X 17 MET HA 1.0 1.8 4.5 212 212 X 18 LEU H X 18 LEU HA 1.0 1.8 3.3 213 213 X 18 LEU H X 19 SER HA 1.0 1.8 5.5 214 214 X 19 SER H X 18 LEU HA 1.0 1.8 4.5 215 215 X 19 SER H X 19 SER HA 1.0 1.8 3.3 216 216 X 20 MET H X 19 SER HA 1.0 1.8 5.5 217 217 X 20 MET H X 20 MET HA 1.0 1.8 4.5 218 218 X 21 GLY H X 19 SER HA 1.0 1.8 5.5 219 219 X 21 GLY H X 20 MET HA 1.0 1.8 4.5 220 220 X 21 GLY H X 22 PHE HA 1.0 1.8 5.5 221 221 X 22 PHE H X 20 MET HA 1.0 1.8 5.5 222 222 X 22 PHE H X 22 PHE HA 1.0 1.8 4.5 223 223 X 22 PHE H X 23 SER HA 1.0 1.8 4.5 224 224 X 23 SER H X 23 SER HA 1.0 1.8 3.3 225 225 X 24 ASP H X 24 ASP HA 1.0 1.8 4.5 226 226 X 25 GLU H X 24 ASP HA 1.0 1.8 3.3 227 227 X 25 GLU H X 25 GLU HA 1.0 1.8 3.3 228 228 X 26 GLY H X 25 GLU HA 1.0 1.8 3.3 229 229 X 28 TRP H X 28 TRP HA 1.0 1.8 3.3 230 230 X 28 TRP H X 29 LEU HA 1.0 1.8 5.5 231 231 X 29 LEU H X 24 ASP HA 1.0 1.8 4.5 232 232 X 29 LEU H X 28 TRP HA 1.0 1.8 5.5 233 233 X 29 LEU H X 29 LEU HA 1.0 1.8 4.5 234 234 X 30 THR H X 29 LEU HA 1.0 1.8 5.5 235 235 X 30 THR H X 30 THR HA 1.0 1.8 4.5 236 236 X 30 THR H X 31 ARG HA 1.0 1.8 5.5 237 237 X 31 ARG H X 31 ARG HA 1.0 1.8 4.5 238 238 X 32 LEU H X 28 TRP HA 1.0 1.8 4.5 239 239 X 32 LEU H X 29 LEU HA 1.0 1.8 4.5 240 240 X 32 LEU H X 32 LEU HA 1.0 1.8 3.3 241 241 X 33 LEU H X 29 LEU HA 1.0 1.8 5.5 242 242 X 33 LEU H X 32 LEU HA 1.0 1.8 5.5 243 243 X 33 LEU H X 33 LEU HA 1.0 1.8 4.5 244 244 X 34 GLN H X 31 ARG HA 1.0 1.8 5.5 245 245 X 34 GLN H X 34 GLN HA 1.0 1.8 3.3 246 246 X 35 THR H X 31 ARG HA 1.0 1.8 5.5 247 247 X 34 GLN HA X 35 THR H 1.0 1.8 5.5 248 248 X 35 THR H X 35 THR HA 1.0 1.8 4.5 249 249 X 36 LYS H X 33 LEU HA 1.0 1.8 5.5 250 250 X 36 LYS H X 35 THR HA 1.0 1.8 4.5 251 251 X 36 LYS H X 36 LYS HA 1.0 1.8 4.5 252 252 X 37 ASN HA X 36 LYS H 1.0 1.8 5.5 253 253 X 37 ASN H X 36 LYS HA 1.0 1.8 4.5 254 254 X 37 ASN HA X 37 ASN H 1.0 1.8 3.0 255 255 X 38 TYR H X 35 THR HA 1.0 1.8 5.5 256 256 X 38 TYR H X 36 LYS HA 1.0 1.8 5.5 257 257 X 37 ASN HA X 38 TYR H 1.0 1.8 3.3 258 258 X 38 TYR H X 38 TYR HA 1.0 1.8 3.3 259 259 X 38 TYR H X 39 ASP HA 1.0 1.8 5.5 260 260 X 39 ASP H X 36 LYS HA 1.0 1.8 5.5 261 261 X 37 ASN HA X 39 ASP H 1.0 1.8 5.5 262 262 X 38 TYR HA X 39 ASP H 1.0 1.8 4.5 263 263 X 39 ASP H X 39 ASP HA 1.0 1.8 3.3 264 264 X 40 ILE H X 39 ASP HA 1.0 1.8 3.0 265 265 X 40 ILE H X 40 ILE HA 1.0 1.8 3.3 266 266 X 41 GLY H X 39 ASP HA 1.0 1.8 4.5 267 267 X 41 GLY H X 40 ILE HA 1.0 1.8 4.5 268 268 X 41 GLY H X 42 ALA HA 1.0 1.8 5.5 269 269 X 42 ALA H X 39 ASP HA 1.0 1.8 5.5 270 270 X 42 ALA H X 40 ILE HA 1.0 1.8 4.5 271 271 X 42 ALA H X 42 ALA HA 1.0 1.8 3.0 272 272 X 43 ALA H X 39 ASP HA 1.0 1.8 5.5 273 273 X 43 ALA H X 40 ILE HA 1.0 1.8 3.3 274 274 X 43 ALA H X 42 ALA HA 1.0 1.8 3.3 275 275 X 43 ALA H X 43 ALA HA 1.0 1.8 3.3 276 276 X 44 LEU H X 44 LEU HA 1.0 1.8 4.5 277 277 X 45 ASP H X 42 ALA HA 1.0 1.8 3.3 278 278 X 45 ASP H X 44 LEU HA 1.0 1.8 4.5 279 279 X 45 ASP H X 45 ASP HA 1.0 1.8 3.3 280 280 X 45 ASP H X 46 THR HA 1.0 1.8 5.5 281 281 X 46 THR H X 43 ALA HA 1.0 1.8 4.5 282 282 X 46 THR H X 44 LEU HA 1.0 1.8 5.5 283 283 X 46 THR H X 45 ASP HA 1.0 1.8 4.5 284 284 X 46 THR H X 46 THR HA 1.0 1.8 3.3 285 285 X 46 THR H X 50 SER HA 1.0 1.8 5.5 286 286 X 47 ILE H X 43 ALA HA 1.0 1.8 5.5 287 287 X 47 ILE H X 44 LEU HA 1.0 1.8 4.5 288 288 X 47 ILE H X 46 THR HA 1.0 1.8 4.5 289 289 X 47 ILE HA X 47 ILE H 1.0 1.8 4.5 290 290 X 48 GLN H X 44 LEU HA 1.0 1.8 5.5 291 291 X 47 ILE HA X 48 GLN H 1.0 1.8 5.5 292 292 X 48 GLN H X 48 GLN HA 1.0 1.8 3.3 293 293 X 49 TYR H X 44 LEU HA 1.0 1.8 5.5 294 294 X 49 TYR H X 49 TYR HA 1.0 1.8 4.5 295 295 X 49 TYR HA X 50 SER H 1.0 1.8 3.0 296 296 X 50 SER H X 50 SER HA 1.0 1.8 3.3 297 297 X 49 TYR HA X 51 LYS H 1.0 1.8 5.5 298 298 X 51 LYS H X 50 SER HA 1.0 1.8 3.0 299 299 X 51 LYS H X 51 LYS HA 1.0 1.8 3.3 300 300 X 51 LYS H X 52 HIS HA 1.0 1.8 4.5 301 301 X 51 LYS HA X 52 HIS H 1.0 1.8 3.0 302 302 X 52 HIS HA X 52 HIS H 1.0 1.8 3.3 303 303 X 21 GLY H X 21 GLY HAy 1.0 1.8 3.3 304 304 X 22 PHE H X 21 GLY HAy 1.0 1.8 4.5 305 305 X 25 GLU H X 26 GLY HAy 1.0 1.8 5.5 306 306 X 26 GLY H X 26 GLY HAy 1.0 1.8 4.5 307 307 X 26 GLY H X 27 GLY HAy 1.0 1.8 5.5 308 308 X 27 GLY H X 26 GLY HAy 1.0 1.8 4.5 309 309 X 27 GLY H X 27 GLY HAy 1.0 1.8 3.3 310 310 X 28 TRP H X 27 GLY HAy 1.0 1.8 4.5 311 311 X 40 ILE H X 41 GLY HAy 1.0 1.8 4.5 312 312 X 41 GLY H X 41 GLY HAy 1.0 1.8 3.0 313 313 X 42 ALA H X 41 GLY HAy 1.0 1.8 3.3 314 314 X 43 ALA H X 41 GLY HAy 1.0 1.8 4.5 315 315 X 20 MET H X 21 GLY HAx 1.0 1.8 5.5 316 316 X 21 GLY H X 21 GLY HAx 1.0 1.8 3.3 317 317 X 22 PHE H X 21 GLY HAx 1.0 1.8 4.5 318 318 X 25 GLU H X 26 GLY HAx 1.0 1.8 5.5 319 319 X 26 GLY H X 26 GLY HAx 1.0 1.8 3.3 320 320 X 27 GLY H X 26 GLY HAx 1.0 1.8 4.5 321 321 X 27 GLY H X 27 GLY HAx 1.0 1.8 3.3 322 322 X 28 TRP H X 26 GLY HAx 1.0 1.8 5.5 323 323 X 40 ILE H X 41 GLY HAx 1.0 1.8 4.5 324 324 X 41 GLY H X 41 GLY HAx 1.0 1.8 3.0 325 325 X 42 ALA H X 41 GLY HAx 1.0 1.8 3.3 326 326 X 44 LEU H X 41 GLY HAx 1.0 1.8 5.5 327 327 X 45 ASP H X 41 GLY HAx 1.0 1.8 5.5 328 328 X 9 ARG H X 8 PRO HA 1.0 1.8 5.5 329 329 X 9 ARG H X 9 ARG HA 1.0 1.8 5.5 330 330 X 11 ILE H X 11 ILE HA 1.0 1.8 4.5 331 331 X 12 GLU H X 12 GLU HA 1.0 1.8 3.3 332 332 X 14 LEU H X 14 LEU HA 1.0 1.8 4.5 333 333 X 17 MET H X 17 MET HA 1.0 1.8 4.5 334 334 X 18 LEU H X 18 LEU HA 1.0 1.8 4.5 335 335 X 22 PHE H X 18 LEU HA 1.0 1.8 4.5 336 336 X 19 SER H X 19 SER HA 1.0 1.8 4.5 337 337 X 22 PHE HA X 23 SER H 1.0 1.8 3.3 338 338 X 24 ASP H X 23 SER HA 1.0 1.8 3.3 339 339 X 25 GLU H X 24 ASP HA 1.0 1.8 4.5 340 340 X 30 THR H X 30 THR HA 1.0 1.8 5.5 341 341 X 31 ARG H X 31 ARG HA 1.0 1.8 5.5 342 342 X 32 LEU H X 32 LEU HA 1.0 1.8 5.5 343 343 X 33 LEU H X 33 LEU HA 1.0 1.8 5.5 344 344 X 35 THR H X 35 THR HA 1.0 1.8 4.5 345 345 X 36 LYS H X 36 LYS HA 1.0 1.8 5.5 346 346 X 37 ASN HA X 37 ASN H 1.0 1.8 3.3 347 347 X 38 TYR H X 38 TYR HA 1.0 1.8 3.3 348 348 X 39 ASP H X 39 ASP HA 1.0 1.8 5.5 349 349 X 40 ILE H X 40 ILE HA 1.0 1.8 4.5 350 350 X 42 ALA H X 42 ALA HA 1.0 1.8 3.3 351 351 X 43 ALA H X 43 ALA HA 1.0 1.8 5.5 352 352 X 44 LEU H X 44 LEU HA 1.0 1.8 5.5 353 353 X 46 THR H X 46 THR HA 1.0 1.8 5.5 354 354 X 48 GLN H X 48 GLN HA 1.0 1.8 3.3 355 355 X 49 TYR H X 48 GLN HA 1.0 1.8 5.5 356 356 X 49 TYR H X 49 TYR HA 1.0 1.8 5.5 357 357 X 50 SER H X 50 SER HA 1.0 1.8 5.5 358 358 X 21 GLY H X 21 GLY HAy 1.0 1.8 5.5 359 359 X 27 GLY H X 27 GLY HAy 1.0 1.8 5.5 360 360 X 41 GLY H X 41 GLY HAy 1.0 1.8 3.3 361 361 X 21 GLY H X 21 GLY HAx 1.0 1.8 4.5 362 362 X 27 GLY H X 27 GLY HAx 1.0 1.8 4.5 363 363 X 41 GLY H X 41 GLY HAx 1.0 1.8 4.5 364 364 X 3 PRO HDy X 3 PRO HA 1.0 1.8 5.3 365 365 X 3 PRO HDy X 3 PRO HBx 1.0 1.8 7.5 366 366 X 3 PRO HDy X 3 PRO HG2 1.0 1.8 5.3 367 367 X 4 PRO HA X 4 PRO HBy 1.0 1.8 7.0 368 368 X 4 PRO HA X 4 PRO HBx 1.0 1.8 4.8 369 369 X 4 PRO HDy X 4 PRO HG2 1.0 1.8 6.5 370 370 X 4 PRO HG2 X 4 PRO HDx 1.0 1.8 5.3 371 371 X 5 GLU H X 5 GLU HBy 1.0 1.8 4.8 372 372 X 5 GLU H X 5 GLU HBx 1.0 1.8 4.5 373 373 X 5 GLU H X 5 GLU HG2 1.0 1.8 5.3 374 374 X 6 ALA HA X 6 ALA HB% 1.0 1.8 5.3 375 375 X 6 ALA H X 6 ALA HB% 1.0 1.8 5.0 376 376 X 7 ASP H X 7 ASP HBy 1.0 1.8 4.5 377 377 X 8 PRO HA X 8 PRO HBy 1.0 1.8 5.3 378 378 X 8 PRO HBy X 8 PRO HDy 1.0 1.8 7.5 379 379 X 8 PRO HDy X 8 PRO HG2 1.0 1.8 5.3 380 380 X 9 ARG HA X 9 ARG HBy 1.0 1.8 7.5 381 381 X 9 ARG HBy X 9 ARG HDy 1.0 1.8 7.5 382 382 X 9 ARG HBy X 9 ARG HBx 1.0 1.8 5.3 383 383 X 9 ARG HBx X 9 ARG HG2 1.0 1.8 6.5 384 384 X 9 ARG HDy X 9 ARG HG2 1.0 1.8 6.5 385 385 X 9 ARG HBy X 9 ARG HDx 1.0 1.8 7.5 386 386 X 9 ARG HG2 X 9 ARG HDx 1.0 1.8 5.3 387 387 X 9 ARG HE X 9 ARG HA 1.0 1.8 7.5 388 388 X 9 ARG HE X 9 ARG HBy 1.0 1.8 6.5 389 389 X 9 ARG HE X 9 ARG HBx 1.0 1.8 6.5 390 390 X 9 ARG HE X 9 ARG HDy 1.0 1.8 6.5 391 391 X 9 ARG HE X 9 ARG HDx 1.0 1.8 6.5 392 392 X 9 ARG HE X 9 ARG HG2 1.0 1.8 6.5 393 393 X 9 ARG HE X 9 ARG H 1.0 1.8 7.5 394 394 X 9 ARG H X 9 ARG HBy 1.0 1.8 6.0 395 395 X 9 ARG H X 9 ARG HBx 1.0 1.8 6.0 396 396 X 9 ARG H X 9 ARG HG2 1.0 1.8 6.5 397 397 X 10 LEU HDy% X 10 LEU HBy 1.0 1.8 6.5 398 398 X 10 LEU HDy% X 10 LEU HBx 1.0 1.8 6.5 399 399 X 10 LEU HA X 10 LEU HDy% 1.0 1.8 5.3 400 400 X 10 LEU H X 10 LEU HBy 1.0 1.8 4.8 401 401 X 10 LEU H X 10 LEU HBx 1.0 1.8 4.8 402 402 X 10 LEU HDx% X 10 LEU H 1.0 1.8 5.3 403 403 X 10 LEU HDy% X 10 LEU H 1.0 1.8 5.3 404 404 X 10 LEU H X 10 LEU HG 1.0 1.8 6.5 405 405 X 11 ILE HA X 11 ILE HB 1.0 1.8 6.5 406 406 X 11 ILE HB X 11 ILE HG1x 1.0 1.8 6.5 407 407 X 11 ILE H X 11 ILE HB 1.0 1.8 6.5 408 408 X 11 ILE HA X 11 ILE HD1% 1.0 1.8 6.5 409 409 X 11 ILE HB X 11 ILE HD1% 1.0 1.8 6.5 410 410 X 11 ILE HD1% X 11 ILE HG1y 1.0 1.8 5.3 411 411 X 11 ILE HG1x X 11 ILE HD1% 1.0 1.8 5.0 412 412 X 11 ILE H X 11 ILE HD1% 1.0 1.8 6.5 413 413 X 11 ILE H X 11 ILE HG1y 1.0 1.8 5.3 414 414 X 11 ILE H X 11 ILE HG1x 1.0 1.8 6.5 415 415 X 11 ILE H X 11 ILE HG2% 1.0 1.8 5.3 416 416 X 12 GLU H X 12 GLU HBy 1.0 1.8 4.8 417 417 X 12 GLU H X 12 GLU HBx 1.0 1.8 4.8 418 418 X 12 GLU H X 12 GLU HG2 1.0 1.8 5.3 419 419 X 13 SER H X 13 SER HBy 1.0 1.8 4.8 420 420 X 13 SER H X 13 SER HBx 1.0 1.8 4.8 421 421 X 14 LEU HA X 14 LEU HDy% 1.0 1.8 5.3 422 422 X 14 LEU HA X 14 LEU HBy 1.0 1.8 6.5 423 423 X 14 LEU HBy X 14 LEU HDx% 1.0 1.8 5.3 424 424 X 14 LEU HA X 14 LEU HBx 1.0 1.8 6.5 425 425 X 14 LEU H X 14 LEU HG 1.0 1.8 7.5 426 426 X 14 LEU H X 14 LEU HBy 1.0 1.8 4.8 427 427 X 14 LEU H X 14 LEU HBx 1.0 1.8 4.5 428 428 X 14 LEU H X 14 LEU HDx% 1.0 1.8 5.3 429 429 X 14 LEU H X 14 LEU HDy% 1.0 1.8 6.5 430 430 X 15 SER H X 15 SER HBy 1.0 1.8 4.5 431 431 X 16 GLN HA X 16 GLN HBx 1.0 1.8 6.5 432 432 X 16 GLN HBx X 16 GLN HE21 1.0 1.8 6.5 433 433 X 16 GLN HE21 X 16 GLN HGy 1.0 1.8 7.5 434 434 X 16 GLN HE21 X 16 GLN HGx 1.0 1.8 6.5 435 435 X 16 GLN HBx X 16 GLN HE22 1.0 1.8 6.5 436 436 X 16 GLN HGy X 16 GLN HE22 1.0 1.8 6.5 437 437 X 16 GLN HGx X 16 GLN HE22 1.0 1.8 6.5 438 438 X 16 GLN H X 16 GLN HBy 1.0 1.8 4.8 439 439 X 16 GLN H X 16 GLN HBx 1.0 1.8 4.8 440 440 X 16 GLN H X 16 GLN HE22 1.0 1.8 7.5 441 441 X 16 GLN H X 16 GLN HGy 1.0 1.8 5.3 442 442 X 16 GLN H X 16 GLN HGx 1.0 1.8 5.3 443 443 X 17 MET H X 17 MET HBy 1.0 1.8 7.5 444 444 X 17 MET H X 17 MET HBx 1.0 1.8 6.0 445 445 X 17 MET H X 17 MET HGy 1.0 1.8 6.5 446 446 X 17 MET H X 17 MET HGx 1.0 1.8 6.5 447 447 X 18 LEU HA X 18 LEU HBy 1.0 1.8 4.8 448 448 X 18 LEU HA X 18 LEU HDy% 1.0 1.8 5.3 449 449 X 18 LEU H X 18 LEU HBy 1.0 1.8 7.5 450 450 X 18 LEU HA X 18 LEU HBx 1.0 1.8 6.5 451 451 X 18 LEU H X 18 LEU HBx 1.0 1.8 6.5 452 452 X 18 LEU H X 18 LEU HG 1.0 1.8 7.5 453 453 X 18 LEU H X 18 LEU HBy 1.0 1.8 4.5 454 454 X 18 LEU H X 18 LEU HDx% 1.0 1.8 5.3 455 455 X 19 SER H X 19 SER HBy 1.0 1.8 4.8 456 456 X 20 MET HA X 20 MET HBy 1.0 1.8 6.5 457 457 X 20 MET HA X 20 MET HBx 1.0 1.8 6.5 458 458 X 20 MET HA X 20 MET HGy 1.0 1.8 7.5 459 459 X 20 MET HA X 20 MET HGx 1.0 1.8 7.5 460 460 X 20 MET H X 20 MET HBy 1.0 1.8 6.0 461 461 X 20 MET H X 20 MET HBx 1.0 1.8 6.0 462 462 X 20 MET H X 20 MET HGy 1.0 1.8 6.5 463 463 X 20 MET H X 20 MET HGx 1.0 1.8 7.5 464 464 X 21 GLY HAy X 21 GLY HAx 1.0 1.8 5.3 465 465 X 22 PHE HBy X 22 PHE HA 1.0 1.8 6.0 466 466 X 22 PHE HBx X 22 PHE HA 1.0 1.8 6.0 467 467 X 22 PHE HBy X 22 PHE HBx 1.0 1.8 5.3 468 468 X 22 PHE H X 22 PHE HBy 1.0 1.8 6.0 469 469 X 22 PHE H X 22 PHE HBx 1.0 1.8 6.0 470 470 X 23 SER HA X 23 SER HBy 1.0 1.8 5.3 471 471 X 23 SER HA X 23 SER HBx 1.0 1.8 5.3 472 472 X 23 SER H X 23 SER HBy 1.0 1.8 6.0 473 473 X 23 SER H X 23 SER HBx 1.0 1.8 6.0 474 474 X 24 ASP HA X 24 ASP HBy 1.0 1.8 6.0 475 475 X 24 ASP HBy X 24 ASP HBx 1.0 1.8 5.3 476 476 X 24 ASP H X 24 ASP HBx 1.0 1.8 6.0 477 477 X 24 ASP H X 24 ASP HBy 1.0 1.8 6.0 478 478 X 25 GLU HA X 25 GLU HBy 1.0 1.8 4.8 479 479 X 25 GLU HA X 25 GLU HGx 1.0 1.8 5.3 480 480 X 25 GLU H X 25 GLU HBx 1.0 1.8 4.5 481 481 X 25 GLU H X 25 GLU HGx 1.0 1.8 5.3 482 482 X 26 GLY HAy X 26 GLY HAx 1.0 1.8 5.3 483 483 X 28 TRP HBy X 28 TRP HBx 1.0 1.8 5.3 484 484 X 28 TRP HA X 28 TRP HD1 1.0 1.8 8.5 485 485 X 28 TRP HBx X 28 TRP HD1 1.0 1.8 7.5 486 486 X 28 TRP HBy X 28 TRP HE1 1.0 1.8 7.5 487 487 X 28 TRP HBx X 28 TRP HE1 1.0 1.8 7.5 488 488 X 28 TRP HD1 X 28 TRP HE1 1.0 1.8 5.3 489 489 X 28 TRP HE1 X 28 TRP HH2 1.0 1.8 7.5 490 490 X 28 TRP HE1 X 28 TRP HZ2 1.0 1.8 5.3 491 491 X 28 TRP HA X 28 TRP HE3 1.0 1.8 7.5 492 492 X 28 TRP HBx X 28 TRP HE3 1.0 1.8 8.5 493 493 X 28 TRP HE3 X 28 TRP HZ3 1.0 1.8 7.5 494 494 X 28 TRP HH2 X 28 TRP HE3 1.0 1.8 6.5 495 495 X 28 TRP HH2 X 28 TRP HZ3 1.0 1.8 6.5 496 496 X 28 TRP H X 28 TRP HBx 1.0 1.8 4.8 497 497 X 28 TRP H X 28 TRP HD1 1.0 1.8 5.3 498 498 X 28 TRP H X 28 TRP HE1 1.0 1.8 7.5 499 499 X 28 TRP H X 28 TRP HE3 1.0 1.8 6.5 500 500 X 28 TRP HA X 28 TRP HZ2 1.0 1.8 8.5 501 501 X 28 TRP HD1 X 28 TRP HZ2 1.0 1.8 7.5 502 502 X 28 TRP HH2 X 28 TRP HZ2 1.0 1.8 6.5 503 503 X 28 TRP HZ2 X 28 TRP HZ3 1.0 1.8 8.5 504 504 X 29 LEU HA X 29 LEU HBy 1.0 1.8 7.0 505 505 X 29 LEU HA X 29 LEU HBx 1.0 1.8 7.0 506 506 X 29 LEU HDx% X 29 LEU HA 1.0 1.8 5.3 507 507 X 29 LEU HBy X 29 LEU HBx 1.0 1.8 5.3 508 508 X 29 LEU HDx% X 29 LEU HBy 1.0 1.8 6.5 509 509 X 29 LEU HDx% X 29 LEU HBx 1.0 1.8 6.5 510 510 X 29 LEU HA X 29 LEU HG 1.0 1.8 5.3 511 511 X 29 LEU HBy X 29 LEU HG 1.0 1.8 5.3 512 512 X 29 LEU HBx X 29 LEU HG 1.0 1.8 6.5 513 513 X 29 LEU H X 29 LEU HBy 1.0 1.8 6.0 514 514 X 29 LEU H X 29 LEU HBx 1.0 1.8 6.0 515 515 X 29 LEU HDx% X 29 LEU H 1.0 1.8 6.5 516 516 X 29 LEU H X 29 LEU HDy% 1.0 1.8 6.5 517 517 X 30 THR HA X 30 THR HB 1.0 1.8 7.5 518 518 X 30 THR HA X 30 THR HG1 1.0 1.8 5.3 519 519 X 30 THR HB X 30 THR HG1 1.0 1.8 5.3 520 520 X 30 THR H X 30 THR HB 1.0 1.8 5.3 521 521 X 30 THR H X 30 THR HG1 1.0 1.8 5.3 522 522 X 31 ARG HA X 31 ARG HG2 1.0 1.8 6.5 523 523 X 31 ARG HA X 31 ARG HDy 1.0 1.8 5.3 524 524 X 31 ARG HDy X 31 ARG HBx 1.0 1.8 6.5 525 525 X 31 ARG HG2 X 31 ARG HDy 1.0 1.8 5.3 526 526 X 31 ARG H X 31 ARG HBy 1.0 1.8 6.0 527 527 X 31 ARG H X 31 ARG HBx 1.0 1.8 6.0 528 528 X 31 ARG H X 31 ARG HDy 1.0 1.8 7.5 529 529 X 31 ARG H X 31 ARG HG2 1.0 1.8 6.5 530 530 X 32 LEU HA X 32 LEU HDx% 1.0 1.8 5.3 531 531 X 32 LEU HBy X 32 LEU HBx 1.0 1.8 5.3 532 532 X 32 LEU HBy X 32 LEU HDy% 1.0 1.8 6.5 533 533 X 32 LEU HA X 32 LEU HBx 1.0 1.8 7.5 534 534 X 32 LEU HBx X 32 LEU HDy% 1.0 1.8 6.5 535 535 X 32 LEU H X 32 LEU HBx 1.0 1.8 7.5 536 536 X 32 LEU HDx% X 32 LEU HBy 1.0 1.8 7.5 537 537 X 32 LEU HDx% X 32 LEU HBx 1.0 1.8 5.3 538 538 X 32 LEU H X 32 LEU HBy 1.0 1.8 4.8 539 539 X 32 LEU H X 32 LEU HDx% 1.0 1.8 6.5 540 540 X 32 LEU H X 32 LEU HDy% 1.0 1.8 6.5 541 541 X 32 LEU H X 32 LEU HG 1.0 1.8 6.5 542 542 X 33 LEU HBx X 33 LEU HA 1.0 1.8 6.0 543 543 X 33 LEU HA X 33 LEU HG 1.0 1.8 6.5 544 544 X 33 LEU HBy X 33 LEU HA 1.0 1.8 6.5 545 545 X 33 LEU HBy X 33 LEU HBx 1.0 1.8 5.3 546 546 X 33 LEU HBy X 33 LEU HDx% 1.0 1.8 6.5 547 547 X 33 LEU HBy X 33 LEU HG 1.0 1.8 7.5 548 548 X 33 LEU HBx X 33 LEU HDx% 1.0 1.8 6.5 549 549 X 33 LEU HBx X 33 LEU H 1.0 1.8 6.5 550 550 X 33 LEU HDy% X 33 LEU HA 1.0 1.8 5.0 551 551 X 33 LEU HBx X 33 LEU HDy% 1.0 1.8 5.3 552 552 X 33 LEU HDy% X 33 LEU HG 1.0 1.8 5.3 553 553 X 33 LEU HDy% X 33 LEU H 1.0 1.8 7.5 554 554 X 33 LEU HBy X 33 LEU H 1.0 1.8 7.0 555 555 X 33 LEU HDx% X 33 LEU H 1.0 1.8 7.5 556 556 X 33 LEU H X 33 LEU HG 1.0 1.8 6.5 557 557 X 34 GLN HA X 34 GLN HBy 1.0 1.8 4.8 558 558 X 34 GLN HA X 34 GLN HBx 1.0 1.8 6.0 559 559 X 34 GLN HA X 34 GLN HGy 1.0 1.8 6.5 560 560 X 34 GLN HA X 34 GLN HGx 1.0 1.8 7.5 561 561 X 34 GLN HE21 X 34 GLN HBy 1.0 1.8 7.5 562 562 X 34 GLN HE21 X 34 GLN HBx 1.0 1.8 7.5 563 563 X 34 GLN HE21 X 34 GLN HGy 1.0 1.8 6.5 564 564 X 34 GLN HE21 X 34 GLN HGx 1.0 1.8 6.5 565 565 X 34 GLN HBy X 34 GLN HE22 1.0 1.8 7.5 566 566 X 34 GLN HGy X 34 GLN HE22 1.0 1.8 6.5 567 567 X 34 GLN HGx X 34 GLN HE22 1.0 1.8 6.5 568 568 X 34 GLN HGx X 34 GLN HBy 1.0 1.8 6.5 569 569 X 34 GLN H X 34 GLN HBy 1.0 1.8 6.0 570 570 X 34 GLN H X 34 GLN HBx 1.0 1.8 4.8 571 571 X 34 GLN H X 34 GLN HGy 1.0 1.8 6.5 572 572 X 34 GLN H X 34 GLN HGx 1.0 1.8 6.5 573 573 X 35 THR HA X 35 THR HB 1.0 1.8 5.3 574 574 X 35 THR HB X 35 THR HG1 1.0 1.8 5.3 575 575 X 35 THR H X 35 THR HB 1.0 1.8 6.5 576 576 X 35 THR H X 35 THR HG1 1.0 1.8 6.5 577 577 X 36 LYS HA X 36 LYS HBy 1.0 1.8 6.0 578 578 X 36 LYS HA X 36 LYS HDy 1.0 1.8 5.3 579 579 X 36 LYS HA X 36 LYS HGy 1.0 1.8 7.5 580 580 X 36 LYS HDy X 36 LYS HEy 1.0 1.8 7.5 581 581 X 36 LYS HA X 36 LYS HDx 1.0 1.8 7.5 582 582 X 36 LYS HDx X 36 LYS HEx 1.0 1.8 7.5 583 583 X 36 LYS HEy X 36 LYS HDx 1.0 1.8 7.5 584 584 X 36 LYS HDy X 36 LYS HEx 1.0 1.8 5.3 585 585 X 36 LYS HGy X 36 LYS HEx 1.0 1.8 7.5 586 586 X 36 LYS HGy X 36 LYS HEy 1.0 1.8 7.5 587 587 X 36 LYS H X 36 LYS HBy 1.0 1.8 7.0 588 588 X 37 ASN HA X 37 ASN HBy 1.0 1.8 6.0 589 589 X 37 ASN HA X 37 ASN HBx 1.0 1.8 6.0 590 590 X 37 ASN HBy X 37 ASN HBx 1.0 1.8 5.0 591 591 X 37 ASN HBy X 37 ASN HD21 1.0 1.8 6.5 592 592 X 37 ASN HBx X 37 ASN HD21 1.0 1.8 6.5 593 593 X 37 ASN HA X 37 ASN HD22 1.0 1.8 7.5 594 594 X 37 ASN HBy X 37 ASN HD22 1.0 1.8 5.3 595 595 X 37 ASN HBx X 37 ASN HD22 1.0 1.8 5.3 596 596 X 37 ASN H X 37 ASN HBy 1.0 1.8 4.8 597 597 X 37 ASN H X 37 ASN HBx 1.0 1.8 4.8 598 598 X 38 TYR HA X 38 TYR HBx 1.0 1.8 4.8 599 599 X 38 TYR HA X 38 TYR HBy 1.0 1.8 5.3 600 600 X 38 TYR H X 38 TYR HBy 1.0 1.8 4.8 601 601 X 39 ASP HA X 39 ASP HBx 1.0 1.8 6.0 602 602 X 39 ASP HA X 39 ASP HBy 1.0 1.8 7.5 603 603 X 39 ASP HBx X 39 ASP HBy 1.0 1.8 5.0 604 604 X 39 ASP H X 39 ASP HBy 1.0 1.8 4.8 605 605 X 39 ASP H X 39 ASP HBx 1.0 1.8 4.8 606 606 X 40 ILE HA X 40 ILE HB 1.0 1.8 6.5 607 607 X 40 ILE HA X 40 ILE HG1y 1.0 1.8 5.3 608 608 X 40 ILE HA X 40 ILE HG1x 1.0 1.8 7.5 609 609 X 40 ILE HA X 40 ILE HG2% 1.0 1.8 5.3 610 610 X 40 ILE HB X 40 ILE HG1y 1.0 1.8 6.5 611 611 X 40 ILE HB X 40 ILE HG2% 1.0 1.8 5.3 612 612 X 40 ILE HA X 40 ILE HD1% 1.0 1.8 7.5 613 613 X 40 ILE HB X 40 ILE HD1% 1.0 1.8 5.3 614 614 X 40 ILE HG1y X 40 ILE HD1% 1.0 1.8 5.0 615 615 X 40 ILE HG1x X 40 ILE HD1% 1.0 1.8 5.3 616 616 X 40 ILE H X 40 ILE HB 1.0 1.8 5.3 617 617 X 40 ILE H X 40 ILE HD1% 1.0 1.8 5.0 618 618 X 40 ILE H X 40 ILE HG1y 1.0 1.8 5.3 619 619 X 40 ILE H X 40 ILE HG1x 1.0 1.8 5.3 620 620 X 42 ALA HA X 42 ALA HB% 1.0 1.8 5.3 621 621 X 42 ALA H X 42 ALA HB% 1.0 1.8 5.0 622 622 X 43 ALA HA X 43 ALA HB% 1.0 1.8 5.3 623 623 X 43 ALA H X 43 ALA HB% 1.0 1.8 5.3 624 624 X 44 LEU HDx% X 44 LEU HA 1.0 1.8 5.3 625 625 X 44 LEU HBy X 44 LEU HA 1.0 1.8 7.5 626 626 X 44 LEU HDx% X 44 LEU HBy 1.0 1.8 7.5 627 627 X 44 LEU HBy X 44 LEU HDy% 1.0 1.8 6.5 628 628 X 44 LEU HA X 44 LEU HBx 1.0 1.8 6.5 629 629 X 44 LEU HBy X 44 LEU HBx 1.0 1.8 5.0 630 630 X 44 LEU HDy% X 44 LEU HBx 1.0 1.8 6.5 631 631 X 44 LEU HDx% X 44 LEU HG 1.0 1.8 7.5 632 632 X 44 LEU HDy% X 44 LEU HG 1.0 1.8 5.3 633 633 X 44 LEU HBy X 44 LEU H 1.0 1.8 6.0 634 634 X 44 LEU H X 44 LEU HBx 1.0 1.8 7.0 635 635 X 44 LEU HDx% X 44 LEU H 1.0 1.8 6.5 636 636 X 44 LEU HDy% X 44 LEU H 1.0 1.8 6.5 637 637 X 44 LEU H X 44 LEU HG 1.0 1.8 6.5 638 638 X 45 ASP HA X 45 ASP HBx 1.0 1.8 4.8 639 639 X 45 ASP HA X 45 ASP HBy 1.0 1.8 6.5 640 640 X 45 ASP H X 45 ASP HBy 1.0 1.8 4.8 641 641 X 45 ASP H X 45 ASP HBx 1.0 1.8 4.8 642 642 X 46 THR HB X 46 THR HG1 1.0 1.8 5.3 643 643 X 46 THR HA X 46 THR HG1 1.0 1.8 5.3 644 644 X 46 THR H X 46 THR HB 1.0 1.8 5.3 645 645 X 46 THR H X 46 THR HG1 1.0 1.8 6.5 646 646 X 47 ILE HB X 47 ILE HG1x 1.0 1.8 7.5 647 647 X 47 ILE HD1% X 47 ILE HB 1.0 1.8 5.3 648 648 X 47 ILE HD1% X 47 ILE HG1x 1.0 1.8 5.3 649 649 X 47 ILE H X 47 ILE HG1y 1.0 1.8 7.5 650 650 X 47 ILE HB X 47 ILE HG2% 1.0 1.8 5.3 651 651 X 47 ILE HG1y X 47 ILE HG2% 1.0 1.8 5.3 652 652 X 47 ILE H X 47 ILE HB 1.0 1.8 7.5 653 653 X 47 ILE HD1% X 47 ILE H 1.0 1.8 6.5 654 654 X 47 ILE H X 47 ILE HG1x 1.0 1.8 6.5 655 655 X 47 ILE H X 47 ILE HG2% 1.0 1.8 6.5 656 656 X 48 GLN HE22 X 48 GLN HBy 1.0 1.8 7.5 657 657 X 48 GLN HE22 X 48 GLN HBx 1.0 1.8 8.5 658 658 X 48 GLN HE22 X 48 GLN HE21 1.0 1.8 5.3 659 659 X 48 GLN HE22 X 48 GLN HGy 1.0 1.8 7.5 660 660 X 48 GLN H X 48 GLN HBx 1.0 1.8 6.0 661 661 X 48 GLN H X 48 GLN HGy 1.0 1.8 6.5 662 662 X 49 TYR HA X 49 TYR HBy 1.0 1.8 7.0 663 663 X 49 TYR HA X 49 TYR HBx 1.0 1.8 6.0 664 664 X 49 TYR HBy X 49 TYR HBx 1.0 1.8 5.3 665 665 X 49 TYR H X 49 TYR HBy 1.0 1.8 6.0 666 666 X 49 TYR H X 49 TYR HBx 1.0 1.8 6.0 667 667 X 50 SER HA X 50 SER HBy 1.0 1.8 4.8 668 668 X 50 SER H X 50 SER HBy 1.0 1.8 4.8 669 669 X 51 LYS HG2 X 51 LYS HDy 1.0 1.8 5.3 670 670 X 51 LYS H X 51 LYS HBy 1.0 1.8 4.8 671 671 X 51 LYS H X 51 LYS HBx 1.0 1.8 4.8 672 672 X 51 LYS H X 51 LYS HG2 1.0 1.8 6.5 673 673 X 52 HIS H X 52 HIS HBy 1.0 1.8 6.0 674 674 X 3 PRO HDy X 7 ASP HBy 1.0 1.8 8.5 675 675 X 24 ASP HA X 28 TRP HE1 1.0 1.8 7.5 676 676 X 25 GLU H X 29 LEU HBy 1.0 1.8 7.0 677 677 X 25 GLU H X 29 LEU HBx 1.0 1.8 7.0 678 678 X 25 GLU H X 29 LEU HDy% 1.0 1.8 7.5 679 679 X 27 GLY H X 31 ARG HDy 1.0 1.8 7.5 680 680 X 27 GLY H X 31 ARG HG2 1.0 1.8 7.5 681 681 X 28 TRP HBy X 32 LEU HDx% 1.0 1.8 8.5 682 682 X 28 TRP HD1 X 32 LEU HDx% 1.0 1.8 8.5 683 683 X 28 TRP HE1 X 32 LEU HBy 1.0 1.8 7.5 684 684 X 28 TRP HE1 X 32 LEU HDx% 1.0 1.8 7.5 685 685 X 28 TRP HE3 X 32 LEU HBx 1.0 1.8 8.5 686 686 X 28 TRP HE3 X 32 LEU HDy% 1.0 1.8 8.5 687 687 X 28 TRP H X 32 LEU HBy 1.0 1.8 7.0 688 688 X 28 TRP H X 32 LEU HBx 1.0 1.8 7.0 689 689 X 28 TRP H X 32 LEU HDx% 1.0 1.8 7.5 690 690 X 29 LEU HA X 33 LEU HG 1.0 1.8 7.5 691 691 X 33 LEU HDx% X 29 LEU H 1.0 1.8 7.5 692 692 X 34 GLN HE21 X 30 THR HG1 1.0 1.8 7.5 693 693 X 30 THR HG1 X 34 GLN HE22 1.0 1.8 7.5 694 694 X 34 GLN HGx X 30 THR HG1 1.0 1.8 6.5 695 695 X 32 LEU HDx% X 36 LYS HEx 1.0 1.8 7.5 696 696 X 32 LEU HDx% X 36 LYS HEy 1.0 1.8 7.5 697 697 X 39 ASP H X 43 ALA HB% 1.0 1.8 7.5 698 698 X 47 ILE HD1% X 43 ALA H 1.0 1.8 7.5 699 699 X 13 SER H X 9 ARG HG2 1.0 1.8 7.5 700 700 X 10 LEU HDy% X 14 LEU H 1.0 1.8 6.5 701 701 X 15 SER H X 11 ILE HD1% 1.0 1.8 7.5 702 702 X 15 SER H X 11 ILE HG1x 1.0 1.8 7.5 703 703 X 15 SER H X 11 ILE HG2% 1.0 1.8 6.5 704 704 X 18 LEU H X 14 LEU HDx% 1.0 1.8 7.5 705 705 X 18 LEU H X 14 LEU HG 1.0 1.8 7.5 706 706 X 22 PHE H X 18 LEU HBy 1.0 1.8 7.0 707 707 X 22 PHE H X 18 LEU HDx% 1.0 1.8 7.5 708 708 X 24 ASP H X 28 TRP HE1 1.0 1.8 7.5 709 709 X 28 TRP H X 24 ASP HBy 1.0 1.8 7.0 710 710 X 29 LEU H X 25 GLU HBy 1.0 1.8 7.0 711 711 X 28 TRP HZ3 X 32 LEU HDy% 1.0 1.8 6.5 712 712 X 32 LEU H X 28 TRP HBx 1.0 1.8 6.0 713 713 X 32 LEU H X 28 TRP HD1 1.0 1.8 7.5 714 714 X 32 LEU H X 28 TRP HE1 1.0 1.8 7.5 715 715 X 32 LEU H X 28 TRP HZ3 1.0 1.8 7.5 716 716 X 29 LEU HG X 33 LEU HG 1.0 1.8 7.5 717 717 X 33 LEU H X 29 LEU HG 1.0 1.8 7.5 718 718 X 34 GLN H X 30 THR HG1 1.0 1.8 6.5 719 719 X 36 LYS H X 32 LEU HDx% 1.0 1.8 7.5 720 720 X 34 GLN HE21 X 38 TYR H 1.0 1.8 7.5 721 721 X 43 ALA H X 39 ASP HBy 1.0 1.8 7.0 722 722 X 46 THR H X 42 ALA HB% 1.0 1.8 7.5 723 723 X 47 ILE H X 43 ALA HB% 1.0 1.8 7.5 724 724 X 44 LEU HDx% X 48 GLN HE22 1.0 1.8 7.5 725 725 X 44 LEU HDx% X 48 GLN H 1.0 1.8 7.5 726 726 X 4 PRO HDy X 7 ASP HBy 1.0 1.8 8.5 727 727 X 5 GLU H X 8 PRO HDy 1.0 1.8 7.5 728 728 X 5 GLU H X 8 PRO HDx 1.0 1.8 7.5 729 729 X 6 ALA HA X 9 ARG HBx 1.0 1.8 8.0 730 730 X 6 ALA H X 9 ARG HBx 1.0 1.8 7.0 731 731 X 7 ASP H X 10 LEU HDy% 1.0 1.8 6.5 732 732 X 15 SER H X 18 LEU HG 1.0 1.8 7.5 733 733 X 25 GLU H X 28 TRP HD1 1.0 1.8 5.3 734 734 X 25 GLU H X 28 TRP HE1 1.0 1.8 5.3 735 735 X 25 GLU H X 28 TRP HZ2 1.0 1.8 7.5 736 736 X 28 TRP H X 31 ARG HBy 1.0 1.8 7.0 737 737 X 28 TRP H X 31 ARG HBx 1.0 1.8 7.0 738 738 X 28 TRP H X 31 ARG HDy 1.0 1.8 7.5 739 739 X 28 TRP H X 31 ARG HG2 1.0 1.8 6.5 740 740 X 29 LEU HA X 32 LEU HBy 1.0 1.8 7.0 741 741 X 29 LEU H X 32 LEU HBy 1.0 1.8 7.0 742 742 X 33 LEU HBx X 30 THR HA 1.0 1.8 7.0 743 743 X 33 LEU HDx% X 30 THR HA 1.0 1.8 6.5 744 744 X 33 LEU HDx% X 30 THR H 1.0 1.8 6.5 745 745 X 39 ASP H X 42 ALA HB% 1.0 1.8 5.3 746 746 X 40 ILE H X 43 ALA HB% 1.0 1.8 5.3 747 747 X 41 GLY H X 44 LEU HBx 1.0 1.8 7.0 748 748 X 42 ALA HA X 45 ASP HBy 1.0 1.8 4.8 749 749 X 42 ALA H X 45 ASP HBy 1.0 1.8 6.0 750 750 X 42 ALA H X 45 ASP HBx 1.0 1.8 7.0 751 751 X 43 ALA H X 46 THR HG1 1.0 1.8 6.5 752 752 X 6 ALA H X 3 PRO HDy 1.0 1.8 7.5 753 753 X 10 LEU H X 7 ASP HBy 1.0 1.8 6.0 754 754 X 8 PRO HA X 11 ILE HB 1.0 1.8 6.5 755 755 X 8 PRO HA X 11 ILE HD1% 1.0 1.8 6.5 756 756 X 12 GLU H X 9 ARG HBx 1.0 1.8 7.0 757 757 X 12 GLU H X 9 ARG HG2 1.0 1.8 7.5 758 758 X 10 LEU HDy% X 13 SER H 1.0 1.8 7.5 759 759 X 14 LEU H X 11 ILE HB 1.0 1.8 7.5 760 760 X 14 LEU H X 11 ILE HG1x 1.0 1.8 7.5 761 761 X 17 MET H X 14 LEU HG 1.0 1.8 7.5 762 762 X 15 SER HA X 18 LEU HBy 1.0 1.8 7.5 763 763 X 18 LEU H X 15 SER HBy 1.0 1.8 6.0 764 764 X 17 MET H X 20 MET HBy 1.0 1.8 7.5 765 765 X 17 MET H X 20 MET HBx 1.0 1.8 7.5 766 766 X 21 GLY H X 18 LEU HBy 1.0 1.8 7.0 767 767 X 21 GLY H X 18 LEU HDy% 1.0 1.8 7.5 768 768 X 27 GLY H X 24 ASP HBy 1.0 1.8 7.0 769 769 X 25 GLU HBx X 28 TRP HD1 1.0 1.8 8.5 770 770 X 25 GLU HGx X 28 TRP HD1 1.0 1.8 8.5 771 771 X 25 GLU HA X 28 TRP HE1 1.0 1.8 7.5 772 772 X 25 GLU HBx X 28 TRP HE1 1.0 1.8 7.5 773 773 X 25 GLU HGx X 28 TRP HE1 1.0 1.8 7.5 774 774 X 28 TRP H X 25 GLU HGx 1.0 1.8 7.5 775 775 X 31 ARG H X 28 TRP HBy 1.0 1.8 7.0 776 776 X 31 ARG H X 28 TRP HBx 1.0 1.8 7.0 777 777 X 32 LEU H X 29 LEU HBx 1.0 1.8 7.0 778 778 X 33 LEU H X 30 THR HG1 1.0 1.8 7.5 779 779 X 34 GLN H X 31 ARG HG2 1.0 1.8 7.5 780 780 X 32 LEU HDx% X 35 THR HB 1.0 1.8 7.5 781 781 X 32 LEU HDx% X 35 THR HG1 1.0 1.8 6.5 782 782 X 33 LEU H X 36 LYS HDx 1.0 1.8 6.5 783 783 X 33 LEU HDx% X 36 LYS H 1.0 1.8 7.5 784 784 X 37 ASN H X 34 GLN HE21 1.0 1.8 7.5 785 785 X 39 ASP H X 36 LYS HBy 1.0 1.8 6.0 786 786 X 39 ASP H X 36 LYS HDx 1.0 1.8 7.5 787 787 X 39 ASP H X 36 LYS HEy 1.0 1.8 7.5 788 788 X 40 ILE H X 37 ASN HD22 1.0 1.8 7.5 789 789 X 39 ASP HBy X 42 ALA HB% 1.0 1.8 5.3 790 790 X 39 ASP HBx X 42 ALA HB% 1.0 1.8 6.5 791 791 X 42 ALA H X 39 ASP HBy 1.0 1.8 6.0 792 792 X 42 ALA H X 39 ASP HBx 1.0 1.8 6.0 793 793 X 43 ALA H X 40 ILE HG2% 1.0 1.8 5.3 794 794 X 42 ALA HA X 45 ASP HBx 1.0 1.8 6.5 795 795 X 46 THR H X 43 ALA HB% 1.0 1.8 7.5 796 796 X 47 ILE H X 44 LEU HBx 1.0 1.8 7.0 797 797 X 44 LEU HDx% X 47 ILE H 1.0 1.8 7.5 798 798 X 12 GLU H X 14 LEU HDy% 1.0 1.8 7.5 799 799 X 14 LEU H X 16 GLN HBy 1.0 1.8 7.0 800 800 X 14 LEU H X 16 GLN HBx 1.0 1.8 7.0 801 801 X 14 LEU H X 16 GLN HGx 1.0 1.8 7.5 802 802 X 16 GLN H X 18 LEU HG 1.0 1.8 7.5 803 803 X 29 LEU HDx% X 27 GLY H 1.0 1.8 7.5 804 804 X 28 TRP H X 30 THR HG1 1.0 1.8 7.5 805 805 X 30 THR H X 32 LEU HBy 1.0 1.8 7.0 806 806 X 38 TYR H X 40 ILE HD1% 1.0 1.8 7.5 807 807 X 40 ILE H X 42 ALA HB% 1.0 1.8 6.5 808 808 X 47 ILE HD1% X 49 TYR HBy 1.0 1.8 7.5 809 809 X 47 ILE HD1% X 49 TYR HBx 1.0 1.8 6.5 810 810 X 47 ILE H X 49 TYR HBy 1.0 1.8 7.0 811 811 X 47 ILE H X 49 TYR HBx 1.0 1.8 7.0 812 812 X 9 ARG H X 7 ASP HBy 1.0 1.8 7.0 813 813 X 13 SER H X 11 ILE HB 1.0 1.8 7.5 814 814 X 15 SER H X 13 SER HBy 1.0 1.8 7.0 815 815 X 16 GLN H X 14 LEU HBy 1.0 1.8 7.0 816 816 X 16 GLN H X 14 LEU HBx 1.0 1.8 7.0 817 817 X 16 GLN H X 14 LEU HDx% 1.0 1.8 7.5 818 818 X 17 MET H X 15 SER HBy 1.0 1.8 7.0 819 819 X 20 MET H X 18 LEU HDx% 1.0 1.8 7.5 820 820 X 21 GLY H X 19 SER HBy 1.0 1.8 7.0 821 821 X 22 PHE H X 20 MET HBx 1.0 1.8 7.0 822 822 X 25 GLU H X 23 SER HBy 1.0 1.8 6.0 823 823 X 25 GLU H X 23 SER HBx 1.0 1.8 6.0 824 824 X 27 GLY H X 25 GLU HBy 1.0 1.8 7.0 825 825 X 27 GLY H X 25 GLU HGx 1.0 1.8 7.5 826 826 X 30 THR H X 28 TRP HD1 1.0 1.8 7.5 827 827 X 38 TYR H X 36 LYS HBy 1.0 1.8 7.0 828 828 X 38 TYR H X 36 LYS HDy 1.0 1.8 6.5 829 829 X 38 TYR H X 36 LYS HDx 1.0 1.8 7.5 830 830 X 41 GLY H X 39 ASP HBy 1.0 1.8 7.0 831 831 X 41 GLY H X 39 ASP HBx 1.0 1.8 7.0 832 832 X 42 ALA H X 40 ILE HD1% 1.0 1.8 6.5 833 833 X 42 ALA H X 40 ILE HG1x 1.0 1.8 5.3 834 834 X 45 ASP H X 43 ALA HB% 1.0 1.8 7.5 835 835 X 48 GLN H X 46 THR HB 1.0 1.8 7.5 836 836 X 47 ILE HD1% X 49 TYR H 1.0 1.8 7.5 837 837 X 49 TYR H X 47 ILE HG2% 1.0 1.8 7.5 838 838 X 5 GLU H X 6 ALA HB% 1.0 1.8 7.5 839 839 X 6 ALA HA X 7 ASP HBy 1.0 1.8 7.0 840 840 X 6 ALA H X 7 ASP HBy 1.0 1.8 7.0 841 841 X 7 ASP H X 8 PRO HDy 1.0 1.8 6.5 842 842 X 9 ARG H X 8 PRO HDy 1.0 1.8 7.5 843 843 X 10 LEU H X 11 ILE HB 1.0 1.8 7.5 844 844 X 10 LEU H X 11 ILE HD1% 1.0 1.8 7.5 845 845 X 10 LEU H X 11 ILE HG2% 1.0 1.8 7.5 846 846 X 12 GLU H X 13 SER HBy 1.0 1.8 7.0 847 847 X 13 SER H X 14 LEU HBx 1.0 1.8 7.0 848 848 X 14 LEU H X 15 SER HBy 1.0 1.8 6.0 849 849 X 15 SER H X 16 GLN HBy 1.0 1.8 6.0 850 850 X 15 SER H X 16 GLN HBx 1.0 1.8 7.0 851 851 X 15 SER H X 16 GLN HGy 1.0 1.8 7.5 852 852 X 15 SER H X 16 GLN HGx 1.0 1.8 7.5 853 853 X 17 MET HBx X 16 GLN H 1.0 1.8 7.0 854 854 X 17 MET H X 18 LEU HBx 1.0 1.8 7.0 855 855 X 19 SER H X 18 LEU HBy 1.0 1.8 7.5 856 856 X 19 SER H X 18 LEU HBx 1.0 1.8 7.5 857 857 X 19 SER H X 20 MET HGy 1.0 1.8 7.5 858 858 X 19 SER H X 20 MET HGx 1.0 1.8 7.5 859 859 X 21 GLY H X 22 PHE HBy 1.0 1.8 7.0 860 860 X 22 PHE HA X 23 SER HA 1.0 1.8 7.5 861 861 X 24 ASP H X 23 SER HBx 1.0 1.8 6.5 862 862 X 24 ASP H X 25 GLU HBy 1.0 1.8 7.0 863 863 X 29 LEU HA X 28 TRP HE1 1.0 1.8 7.5 864 864 X 28 TRP HE1 X 29 LEU HBy 1.0 1.8 7.5 865 865 X 28 TRP HE1 X 29 LEU HBx 1.0 1.8 7.5 866 866 X 29 LEU HDx% X 28 TRP HE1 1.0 1.8 7.5 867 867 X 28 TRP HE1 X 29 LEU HDy% 1.0 1.8 7.5 868 868 X 29 LEU H X 28 TRP HE1 1.0 1.8 7.5 869 869 X 28 TRP HH2 X 29 LEU HBx 1.0 1.8 8.5 870 870 X 29 LEU HDx% X 28 TRP HH2 1.0 1.8 7.5 871 871 X 28 TRP H X 29 LEU HBy 1.0 1.8 7.0 872 872 X 28 TRP H X 29 LEU HBx 1.0 1.8 7.0 873 873 X 29 LEU HDx% X 28 TRP H 1.0 1.8 7.5 874 874 X 28 TRP H X 29 LEU HDy% 1.0 1.8 7.5 875 875 X 28 TRP HZ2 X 29 LEU HBx 1.0 1.8 8.5 876 876 X 29 LEU HDx% X 28 TRP HZ2 1.0 1.8 7.5 877 877 X 29 LEU H X 30 THR HB 1.0 1.8 7.5 878 878 X 29 LEU H X 30 THR HG1 1.0 1.8 7.5 879 879 X 31 ARG H X 30 THR HB 1.0 1.8 7.5 880 880 X 30 THR H X 31 ARG HDy 1.0 1.8 7.5 881 881 X 31 ARG H X 32 LEU HDx% 1.0 1.8 7.5 882 882 X 31 ARG H X 32 LEU HDy% 1.0 1.8 7.5 883 883 X 33 LEU HBy X 32 LEU HDx% 1.0 1.8 5.0 884 884 X 35 THR H X 34 GLN HBx 1.0 1.8 7.5 885 885 X 36 LYS H X 35 THR HB 1.0 1.8 7.5 886 886 X 36 LYS H X 35 THR HG1 1.0 1.8 7.5 887 887 X 35 THR H X 36 LYS HBx 1.0 1.8 7.0 888 888 X 40 ILE H X 39 ASP HBx 1.0 1.8 7.5 889 889 X 39 ASP H X 40 ILE HB 1.0 1.8 7.5 890 890 X 39 ASP H X 40 ILE HD1% 1.0 1.8 7.5 891 891 X 39 ASP H X 40 ILE HG1x 1.0 1.8 7.5 892 892 X 41 GLY H X 42 ALA HB% 1.0 1.8 6.5 893 893 X 42 ALA H X 43 ALA HB% 1.0 1.8 5.3 894 894 X 44 LEU H X 43 ALA HB% 1.0 1.8 6.5 895 895 X 44 LEU HDx% X 43 ALA H 1.0 1.8 6.5 896 896 X 45 ASP HA X 46 THR HA 1.0 1.8 5.3 897 897 X 45 ASP H X 46 THR HG1 1.0 1.8 7.5 898 898 X 47 ILE H X 46 THR HB 1.0 1.8 7.5 899 899 X 47 ILE H X 46 THR HG1 1.0 1.8 7.5 900 900 X 46 THR H X 47 ILE HG2% 1.0 1.8 7.5 901 901 X 6 ALA H X 5 GLU HBy 1.0 1.8 4.8 902 902 X 6 ALA H X 5 GLU HBx 1.0 1.8 6.0 903 903 X 6 ALA H X 5 GLU HG2 1.0 1.8 6.5 904 904 X 7 ASP H X 6 ALA HB% 1.0 1.8 5.3 905 905 X 9 ARG H X 8 PRO HBy 1.0 1.8 7.0 906 906 X 10 LEU H X 9 ARG HBy 1.0 1.8 6.0 907 907 X 10 LEU H X 9 ARG HDy 1.0 1.8 7.5 908 908 X 11 ILE H X 10 LEU HBy 1.0 1.8 6.0 909 909 X 10 LEU HDx% X 11 ILE H 1.0 1.8 6.5 910 910 X 12 GLU H X 11 ILE HB 1.0 1.8 5.3 911 911 X 12 GLU H X 11 ILE HD1% 1.0 1.8 6.5 912 912 X 12 GLU H X 11 ILE HG1y 1.0 1.8 6.5 913 913 X 12 GLU H X 11 ILE HG1x 1.0 1.8 7.5 914 914 X 12 GLU H X 11 ILE HG2% 1.0 1.8 5.3 915 915 X 13 SER H X 12 GLU HBy 1.0 1.8 6.0 916 916 X 13 SER H X 12 GLU HBx 1.0 1.8 4.8 917 917 X 13 SER H X 12 GLU HG2 1.0 1.8 6.5 918 918 X 14 LEU H X 13 SER HBy 1.0 1.8 6.0 919 919 X 14 LEU H X 13 SER HBx 1.0 1.8 6.0 920 920 X 15 SER H X 14 LEU HBy 1.0 1.8 4.8 921 921 X 15 SER H X 14 LEU HBx 1.0 1.8 4.8 922 922 X 15 SER H X 14 LEU HDx% 1.0 1.8 6.5 923 923 X 16 GLN H X 15 SER HBy 1.0 1.8 4.5 924 924 X 17 MET H X 16 GLN HBy 1.0 1.8 4.8 925 925 X 17 MET H X 16 GLN HBx 1.0 1.8 6.0 926 926 X 18 LEU H X 17 MET HBy 1.0 1.8 6.0 927 927 X 18 LEU H X 17 MET HGy 1.0 1.8 7.5 928 928 X 18 LEU H X 17 MET HGx 1.0 1.8 7.5 929 929 X 19 SER H X 18 LEU HDx% 1.0 1.8 6.5 930 930 X 19 SER H X 18 LEU HG 1.0 1.8 5.3 931 931 X 20 MET H X 19 SER HBy 1.0 1.8 7.0 932 932 X 21 GLY H X 20 MET HBy 1.0 1.8 7.0 933 933 X 21 GLY H X 20 MET HBx 1.0 1.8 7.0 934 934 X 21 GLY H X 20 MET HGy 1.0 1.8 7.5 935 935 X 21 GLY H X 20 MET HGx 1.0 1.8 7.5 936 936 X 22 PHE HBy X 23 SER H 1.0 1.8 6.0 937 937 X 22 PHE HBx X 23 SER H 1.0 1.8 6.0 938 938 X 24 ASP H X 23 SER HBy 1.0 1.8 6.0 939 939 X 25 GLU H X 24 ASP HBy 1.0 1.8 6.0 940 940 X 26 GLY H X 25 GLU HBy 1.0 1.8 4.8 941 941 X 26 GLY H X 25 GLU HGx 1.0 1.8 7.5 942 942 X 29 LEU HA X 28 TRP HE3 1.0 1.8 7.5 943 943 X 29 LEU HDx% X 28 TRP HE3 1.0 1.8 7.5 944 944 X 28 TRP HE3 X 29 LEU HG 1.0 1.8 7.5 945 945 X 28 TRP HZ3 X 29 LEU HG 1.0 1.8 7.5 946 946 X 29 LEU H X 28 TRP HBx 1.0 1.8 7.0 947 947 X 29 LEU H X 28 TRP HD1 1.0 1.8 7.5 948 948 X 29 LEU H X 28 TRP HE3 1.0 1.8 7.5 949 949 X 30 THR H X 29 LEU HBy 1.0 1.8 6.0 950 950 X 30 THR H X 29 LEU HBx 1.0 1.8 7.0 951 951 X 29 LEU HDx% X 30 THR H 1.0 1.8 6.5 952 952 X 31 ARG H X 30 THR HG1 1.0 1.8 5.3 953 953 X 31 ARG HA X 32 LEU HDx% 1.0 1.8 6.5 954 954 X 32 LEU H X 31 ARG HBx 1.0 1.8 6.0 955 955 X 32 LEU H X 31 ARG HDy 1.0 1.8 7.5 956 956 X 32 LEU H X 31 ARG HG2 1.0 1.8 6.5 957 957 X 33 LEU H X 32 LEU HG 1.0 1.8 7.5 958 958 X 33 LEU HBy X 34 GLN H 1.0 1.8 7.0 959 959 X 34 GLN H X 33 LEU HDx% 1.0 1.8 7.5 960 960 X 34 GLN H X 33 LEU HDy% 1.0 1.8 7.5 961 961 X 35 THR H X 34 GLN HBy 1.0 1.8 7.0 962 962 X 34 GLN HGy X 35 THR H 1.0 1.8 7.5 963 963 X 34 GLN HGx X 35 THR H 1.0 1.8 7.5 964 964 X 37 ASN H X 36 LYS HBx 1.0 1.8 6.0 965 965 X 38 TYR H X 37 ASN HBx 1.0 1.8 6.0 966 966 X 38 TYR HBy X 39 ASP HA 1.0 1.8 6.0 967 967 X 40 ILE H X 39 ASP HBy 1.0 1.8 6.0 968 968 X 41 GLY H X 40 ILE HB 1.0 1.8 5.3 969 969 X 41 GLY H X 40 ILE HD1% 1.0 1.8 5.3 970 970 X 41 GLY H X 40 ILE HG1y 1.0 1.8 6.5 971 971 X 41 GLY H X 40 ILE HG1x 1.0 1.8 6.5 972 972 X 43 ALA H X 42 ALA HB% 1.0 1.8 5.0 973 973 X 44 LEU HDx% X 45 ASP HBy 1.0 1.8 7.5 974 974 X 44 LEU HBy X 45 ASP H 1.0 1.8 6.0 975 975 X 45 ASP H X 44 LEU HBx 1.0 1.8 6.0 976 976 X 44 LEU HDx% X 45 ASP H 1.0 1.8 7.5 977 977 X 44 LEU HDy% X 45 ASP H 1.0 1.8 6.5 978 978 X 45 ASP H X 44 LEU HG 1.0 1.8 7.5 979 979 X 46 THR H X 45 ASP HBy 1.0 1.8 6.0 980 980 X 46 THR H X 45 ASP HBx 1.0 1.8 6.0 981 981 X 47 ILE HD1% X 48 GLN H 1.0 1.8 7.5 982 982 X 48 GLN H X 47 ILE HG1x 1.0 1.8 7.5 983 983 X 48 GLN H X 47 ILE HG2% 1.0 1.8 7.5 984 984 X 49 TYR H X 48 GLN HBx 1.0 1.8 7.0 985 985 X 49 TYR HBy X 50 SER H 1.0 1.8 6.0 986 986 X 49 TYR HBx X 50 SER H 1.0 1.8 6.0 987 987 X 51 LYS H X 50 SER HBy 1.0 1.8 4.8 988 988 X 52 HIS H X 51 LYS HBy 1.0 1.8 6.0 989 989 X 52 HIS H X 51 LYS HDy 1.0 1.8 6.5 990 990 X 52 HIS H X 51 LYS HG2 1.0 1.8 6.5 991 991 X 6 ALA H X 11 ILE HD1% 1.0 1.8 6.5 992 992 X 9 ARG HE X 34 GLN HE21 1.0 1.8 7.5 993 993 X 9 ARG H X 38 TYR HBx 1.0 1.8 7.0 994 994 X 10 LEU HDy% X 33 LEU HA 1.0 1.8 6.5 995 995 X 10 LEU HDx% X 34 GLN HE22 1.0 1.8 7.5 996 996 X 12 GLU H X 7 ASP HBy 1.0 1.8 7.0 997 997 X 12 GLU H X 33 LEU HDy% 1.0 1.8 7.5 998 998 X 33 LEU HDx% X 13 SER HA 1.0 1.8 8.5 999 999 X 33 LEU HDx% X 13 SER HBy 1.0 1.8 7.5 1000 1000 X 33 LEU HDy% X 13 SER HBx 1.0 1.8 7.5 1001 1001 X 33 LEU HDx% X 13 SER H 1.0 1.8 7.5 1002 1002 X 33 LEU HDy% X 13 SER H 1.0 1.8 7.5 1003 1003 X 13 SER HA X 40 ILE HD1% 1.0 1.8 6.5 1004 1004 X 13 SER HBy X 40 ILE HD1% 1.0 1.8 7.5 1005 1005 X 13 SER H X 40 ILE HD1% 1.0 1.8 6.5 1006 1006 X 14 LEU H X 6 ALA HB% 1.0 1.8 7.5 1007 1007 X 14 LEU H X 29 LEU HDx% 1.0 1.8 7.5 1008 1008 X 14 LEU H X 33 LEU HDy% 1.0 1.8 7.5 1009 1009 X 14 LEU H X 40 ILE HD1% 1.0 1.8 6.5 1010 1010 X 10 LEU HDy% X 15 SER H 1.0 1.8 7.5 1011 1011 X 22 PHE HA X 16 GLN HE22 1.0 1.8 7.5 1012 1012 X 29 LEU HDx% X 16 GLN H 1.0 1.8 7.5 1013 1013 X 16 GLN H X 40 ILE HD1% 1.0 1.8 5.3 1014 1014 X 16 GLN H X 43 ALA HB% 1.0 1.8 7.5 1015 1015 X 44 LEU HDx% X 16 GLN H 1.0 1.8 7.5 1016 1016 X 17 MET H X 29 LEU HDx% 1.0 1.8 7.5 1017 1017 X 17 MET H X 29 LEU HDy% 1.0 1.8 6.5 1018 1018 X 17 MET H X 47 ILE HG2% 1.0 1.8 7.5 1019 1019 X 29 LEU HDx% X 18 LEU H 1.0 1.8 6.5 1020 1020 X 21 GLY H X 48 GLN HE22 1.0 1.8 7.5 1021 1021 X 29 LEU HDx% X 22 PHE HBy 1.0 1.8 7.5 1022 1022 X 29 LEU HDx% X 22 PHE HBx 1.0 1.8 7.5 1023 1023 X 29 LEU HDx% X 22 PHE H 1.0 1.8 7.5 1024 1024 X 23 SER H X 16 GLN HE22 1.0 1.8 7.5 1025 1025 X 23 SER H X 28 TRP HE1 1.0 1.8 7.5 1026 1026 X 23 SER H X 28 TRP HH2 1.0 1.8 7.5 1027 1027 X 29 LEU HDx% X 23 SER H 1.0 1.8 6.5 1028 1028 X 23 SER H X 29 LEU HDy% 1.0 1.8 7.5 1029 1029 X 23 SER H X 46 THR HG1 1.0 1.8 7.5 1030 1030 X 23 SER H X 47 ILE HG2% 1.0 1.8 7.5 1031 1031 X 23 SER H X 48 GLN HGy 1.0 1.8 7.5 1032 1032 X 24 ASP H X 18 LEU HDx% 1.0 1.8 6.5 1033 1033 X 24 ASP HA X 29 LEU HBy 1.0 1.8 7.0 1034 1034 X 24 ASP HBy X 29 LEU HBx 1.0 1.8 8.5 1035 1035 X 29 LEU HDx% X 24 ASP H 1.0 1.8 7.5 1036 1036 X 25 GLU H X 32 LEU HDx% 1.0 1.8 7.5 1037 1037 X 25 GLU H X 32 LEU HDy% 1.0 1.8 7.5 1038 1038 X 25 GLU H X 46 THR HG1 1.0 1.8 6.5 1039 1039 X 47 ILE HD1% X 25 GLU H 1.0 1.8 7.5 1040 1040 X 48 GLN HE22 X 25 GLU H 1.0 1.8 6.5 1041 1041 X 25 GLU H X 48 GLN HGy 1.0 1.8 7.5 1042 1042 X 26 GLY H X 46 THR HG1 1.0 1.8 7.5 1043 1043 X 27 GLY H X 46 THR HG1 1.0 1.8 7.5 1044 1044 X 22 PHE HBy X 28 TRP HH2 1.0 1.8 8.5 1045 1045 X 22 PHE HBx X 28 TRP HH2 1.0 1.8 8.5 1046 1046 X 22 PHE HA X 28 TRP HZ2 1.0 1.8 8.5 1047 1047 X 22 PHE HBy X 28 TRP HZ2 1.0 1.8 7.5 1048 1048 X 22 PHE HBx X 28 TRP HZ2 1.0 1.8 8.5 1049 1049 X 33 LEU HDx% X 28 TRP H 1.0 1.8 7.5 1050 1050 X 28 TRP HE1 X 43 ALA HB% 1.0 1.8 7.5 1051 1051 X 28 TRP HE1 X 46 THR HG1 1.0 1.8 5.3 1052 1052 X 28 TRP HH2 X 46 THR HG1 1.0 1.8 8.5 1053 1053 X 28 TRP H X 46 THR HG1 1.0 1.8 7.5 1054 1054 X 28 TRP HZ2 X 46 THR HG1 1.0 1.8 6.5 1055 1055 X 28 TRP HZ2 X 47 ILE HG2% 1.0 1.8 8.5 1056 1056 X 29 LEU H X 24 ASP HBy 1.0 1.8 7.0 1057 1057 X 30 THR H X 24 ASP HBy 1.0 1.8 7.0 1058 1058 X 43 ALA HA X 32 LEU HDx% 1.0 1.8 7.5 1059 1059 X 33 LEU HDy% X 38 TYR HBx 1.0 1.8 7.5 1060 1060 X 33 LEU HDy% X 39 ASP HBx 1.0 1.8 6.5 1061 1061 X 10 LEU HDx% X 38 TYR H 1.0 1.8 7.5 1062 1062 X 10 LEU HDy% X 38 TYR H 1.0 1.8 7.5 1063 1063 X 38 TYR H X 13 SER HBy 1.0 1.8 7.0 1064 1064 X 38 TYR H X 32 LEU HDy% 1.0 1.8 7.5 1065 1065 X 33 LEU HDy% X 38 TYR HA 1.0 1.8 6.5 1066 1066 X 33 LEU HBx X 38 TYR H 1.0 1.8 7.0 1067 1067 X 33 LEU HDx% X 38 TYR H 1.0 1.8 7.5 1068 1068 X 33 LEU HDy% X 38 TYR H 1.0 1.8 6.5 1069 1069 X 39 ASP H X 28 TRP HZ3 1.0 1.8 7.5 1070 1070 X 33 LEU HDy% X 39 ASP H 1.0 1.8 7.5 1071 1071 X 39 ASP H X 34 GLN HBx 1.0 1.8 7.0 1072 1072 X 34 GLN HE21 X 39 ASP H 1.0 1.8 7.5 1073 1073 X 29 LEU HDx% X 40 ILE H 1.0 1.8 7.5 1074 1074 X 33 LEU HDy% X 40 ILE HA 1.0 1.8 6.5 1075 1075 X 33 LEU HDx% X 40 ILE HD1% 1.0 1.8 6.5 1076 1076 X 33 LEU HBy X 40 ILE H 1.0 1.8 7.0 1077 1077 X 33 LEU HDx% X 40 ILE H 1.0 1.8 7.5 1078 1078 X 33 LEU HDy% X 40 ILE H 1.0 1.8 6.5 1079 1079 X 40 ILE H X 33 LEU HG 1.0 1.8 7.5 1080 1080 X 41 GLY H X 32 LEU HDy% 1.0 1.8 7.5 1081 1081 X 33 LEU HDy% X 41 GLY H 1.0 1.8 7.5 1082 1082 X 42 ALA H X 32 LEU HDx% 1.0 1.8 7.5 1083 1083 X 42 ALA H X 32 LEU HDy% 1.0 1.8 7.5 1084 1084 X 33 LEU HDy% X 42 ALA H 1.0 1.8 7.5 1085 1085 X 36 LYS HBy X 42 ALA HB% 1.0 1.8 6.5 1086 1086 X 43 ALA H X 32 LEU HDx% 1.0 1.8 6.5 1087 1087 X 43 ALA H X 32 LEU HDy% 1.0 1.8 6.5 1088 1088 X 33 LEU HDy% X 43 ALA HB% 1.0 1.8 5.3 1089 1089 X 43 ALA H X 36 LYS HEy 1.0 1.8 7.5 1090 1090 X 22 PHE HZ X 44 LEU HDx% 1.0 1.8 7.5 1091 1091 X 44 LEU HDx% X 39 ASP HBx 1.0 1.8 7.5 1092 1092 X 49 TYR HA X 44 LEU HA 1.0 1.8 7.5 1093 1093 X 44 LEU HDx% X 49 TYR HBy 1.0 1.8 6.5 1094 1094 X 44 LEU HDx% X 49 TYR HBx 1.0 1.8 6.5 1095 1095 X 28 TRP HD1 X 46 THR HG1 1.0 1.8 7.5 1096 1096 X 32 LEU HDx% X 46 THR HG1 1.0 1.8 5.3 1097 1097 X 46 THR H X 32 LEU HDx% 1.0 1.8 7.5 1098 1098 X 46 THR H X 32 LEU HDy% 1.0 1.8 7.5 1099 1099 X 22 PHE HZ X 47 ILE HD1% 1.0 1.8 7.5 1100 1100 X 47 ILE HD1% X 28 TRP HH2 1.0 1.8 7.5 1101 1101 X 28 TRP HH2 X 47 ILE HG2% 1.0 1.8 6.5 1102 1102 X 28 TRP HZ3 X 47 ILE HG2% 1.0 1.8 6.5 1103 1103 X 47 ILE H X 28 TRP HZ2 1.0 1.8 7.5 1104 1104 X 29 LEU HBy X 47 ILE HG2% 1.0 1.8 5.3 1105 1105 X 47 ILE H X 32 LEU HDx% 1.0 1.8 7.5 1106 1106 X 47 ILE H X 32 LEU HDy% 1.0 1.8 7.5 1107 1107 X 48 GLN HE22 X 21 GLY HAy 1.0 1.8 7.5 1108 1108 X 48 GLN HE22 X 21 GLY HAx 1.0 1.8 7.5 1109 1109 X 22 PHE HA X 48 GLN HE22 1.0 1.8 7.5 1110 1110 X 22 PHE HZ X 48 GLN H 1.0 1.8 7.5 1111 1111 X 49 TYR H X 44 LEU HBx 1.0 1.8 7.0 1112 1112 X 44 LEU HDx% X 49 TYR H 1.0 1.8 7.5 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 X 1 GLY C X 2 SER N X 2 SER CA X 2 SER C 1.0 -124.32 -64.32 PHI 2 2 X 2 SER N X 2 SER CA X 2 SER C X 3 PRO N 1.0 97.79 157.79 PSI 3 3 X 2 SER C X 3 PRO N X 3 PRO CA X 3 PRO C 1.0 -94.80 -34.80 PHI 4 4 X 3 PRO N X 3 PRO CA X 3 PRO C X 4 PRO N 1.0 118.84 178.84 PSI 5 5 X 6 ALA C X 7 ASP N X 7 ASP CA X 7 ASP C 1.0 -106.79 -46.79 PHI 6 6 X 7 ASP N X 7 ASP CA X 7 ASP C X 8 PRO N 1.0 92.53 152.53 PSI 7 7 X 7 ASP C X 8 PRO N X 8 PRO CA X 8 PRO C 1.0 -89.84 -29.84 PHI 8 8 X 8 PRO N X 8 PRO CA X 8 PRO C X 9 ARG N 1.0 -61.20 -1.20 PSI 9 9 X 8 PRO C X 9 ARG N X 9 ARG CA X 9 ARG C 1.0 -93.00 -33.00 PHI 10 10 X 9 ARG N X 9 ARG CA X 9 ARG C X 10 LEU N 1.0 -69.78 -9.78 PSI 11 11 X 9 ARG C X 10 LEU N X 10 LEU CA X 10 LEU C 1.0 -97.52 -37.52 PHI 12 12 X 10 LEU N X 10 LEU CA X 10 LEU C X 11 ILE N 1.0 -72.15 -12.15 PSI 13 13 X 10 LEU C X 11 ILE N X 11 ILE CA X 11 ILE C 1.0 -95.90 -35.90 PHI 14 14 X 11 ILE N X 11 ILE CA X 11 ILE C X 12 GLU N 1.0 -68.64 -8.64 PSI 15 15 X 11 ILE C X 12 GLU N X 12 GLU CA X 12 GLU C 1.0 -93.60 -33.60 PHI 16 16 X 12 GLU N X 12 GLU CA X 12 GLU C X 13 SER N 1.0 -73.95 -13.95 PSI 17 17 X 12 GLU C X 13 SER N X 13 SER CA X 13 SER C 1.0 -94.37 -34.37 PHI 18 18 X 13 SER N X 13 SER CA X 13 SER C X 14 LEU N 1.0 -70.57 -10.57 PSI 19 19 X 13 SER C X 14 LEU N X 14 LEU CA X 14 LEU C 1.0 -92.21 -32.21 PHI 20 20 X 14 LEU N X 14 LEU CA X 14 LEU C X 15 SER N 1.0 -76.54 -16.54 PSI 21 21 X 14 LEU C X 15 SER N X 15 SER CA X 15 SER C 1.0 -93.26 -33.26 PHI 22 22 X 15 SER N X 15 SER CA X 15 SER C X 16 GLN N 1.0 -71.40 -11.40 PSI 23 23 X 15 SER C X 16 GLN N X 16 GLN CA X 16 GLN C 1.0 -95.18 -35.18 PHI 24 24 X 16 GLN N X 16 GLN CA X 16 GLN C X 17 MET N 1.0 -72.72 -12.72 PSI 25 25 X 16 GLN C X 17 MET N X 17 MET CA X 17 MET C 1.0 -99.87 -39.87 PHI 26 26 X 17 MET N X 17 MET CA X 17 MET C X 18 LEU N 1.0 -68.24 -8.24 PSI 27 27 X 17 MET C X 18 LEU N X 18 LEU CA X 18 LEU C 1.0 -95.19 -35.19 PHI 28 28 X 18 LEU N X 18 LEU CA X 18 LEU C X 19 SER N 1.0 -69.27 -9.27 PSI 29 29 X 18 LEU C X 19 SER N X 19 SER CA X 19 SER C 1.0 -98.42 -38.42 PHI 30 30 X 19 SER N X 19 SER CA X 19 SER C X 20 MET N 1.0 -51.00 9.00 PSI 31 31 X 19 SER C X 20 MET N X 20 MET CA X 20 MET C 1.0 -122.05 -62.05 PHI 32 32 X 20 MET N X 20 MET CA X 20 MET C X 21 GLY N 1.0 -31.07 28.93 PSI 33 33 X 20 MET C X 21 GLY N X 21 GLY CA X 21 GLY C 1.0 53.67 113.67 PHI 34 34 X 21 GLY N X 21 GLY CA X 21 GLY C X 22 PHE N 1.0 -13.74 46.26 PSI 35 35 X 21 GLY C X 22 PHE N X 22 PHE CA X 22 PHE C 1.0 -136.53 -76.53 PHI 36 36 X 22 PHE N X 22 PHE CA X 22 PHE C X 23 SER N 1.0 124.23 184.23 PSI 37 37 X 23 SER C X 24 ASP N X 24 ASP CA X 24 ASP C 1.0 -120.19 -60.19 PHI 38 38 X 24 ASP N X 24 ASP CA X 24 ASP C X 25 GLU N 1.0 117.98 177.98 PSI 39 39 X 27 GLY C X 28 TRP N X 28 TRP CA X 28 TRP C 1.0 -95.38 -35.38 PHI 40 40 X 28 TRP N X 28 TRP CA X 28 TRP C X 29 LEU N 1.0 -64.34 -4.34 PSI 41 41 X 28 TRP C X 29 LEU N X 29 LEU CA X 29 LEU C 1.0 -92.41 -32.41 PHI 42 42 X 29 LEU N X 29 LEU CA X 29 LEU C X 30 THR N 1.0 -70.82 -10.82 PSI 43 43 X 29 LEU C X 30 THR N X 30 THR CA X 30 THR C 1.0 -93.57 -33.57 PHI 44 44 X 30 THR N X 30 THR CA X 30 THR C X 31 ARG N 1.0 -71.26 -11.26 PSI 45 45 X 30 THR C X 31 ARG N X 31 ARG CA X 31 ARG C 1.0 -94.16 -34.16 PHI 46 46 X 31 ARG N X 31 ARG CA X 31 ARG C X 32 LEU N 1.0 -65.73 -5.73 PSI 47 47 X 31 ARG C X 32 LEU N X 32 LEU CA X 32 LEU C 1.0 -93.48 -33.48 PHI 48 48 X 32 LEU N X 32 LEU CA X 32 LEU C X 33 LEU N 1.0 -75.59 -15.59 PSI 49 49 X 32 LEU C X 33 LEU N X 33 LEU CA X 33 LEU C 1.0 -91.82 -31.82 PHI 50 50 X 33 LEU N X 33 LEU CA X 33 LEU C X 34 GLN N 1.0 -69.16 -9.16 PSI 51 51 X 33 LEU C X 34 GLN N X 34 GLN CA X 34 GLN C 1.0 -93.57 -33.57 PHI 52 52 X 34 GLN N X 34 GLN CA X 34 GLN C X 35 THR N 1.0 -71.30 -11.30 PSI 53 53 X 34 GLN C X 35 THR N X 35 THR CA X 35 THR C 1.0 -98.85 -38.85 PHI 54 54 X 35 THR N X 35 THR CA X 35 THR C X 36 LYS N 1.0 -63.02 -3.02 PSI 55 55 X 35 THR C X 36 LYS N X 36 LYS CA X 36 LYS C 1.0 -129.21 -69.21 PHI 56 56 X 36 LYS N X 36 LYS CA X 36 LYS C X 37 ASN N 1.0 -23.53 36.47 PSI 57 57 X 39 ASP C X 40 ILE N X 40 ILE CA X 40 ILE C 1.0 -88.73 -28.73 PHI 58 58 X 40 ILE N X 40 ILE CA X 40 ILE C X 41 GLY N 1.0 -64.27 -4.27 PSI 59 59 X 40 ILE C X 41 GLY N X 41 GLY CA X 41 GLY C 1.0 -94.02 -34.02 PHI 60 60 X 41 GLY N X 41 GLY CA X 41 GLY C X 42 ALA N 1.0 -68.21 -8.21 PSI 61 61 X 41 GLY C X 42 ALA N X 42 ALA CA X 42 ALA C 1.0 -98.80 -38.80 PHI 62 62 X 42 ALA N X 42 ALA CA X 42 ALA C X 43 ALA N 1.0 -69.47 -9.47 PSI 63 63 X 42 ALA C X 43 ALA N X 43 ALA CA X 43 ALA C 1.0 -91.85 -31.85 PHI 64 64 X 43 ALA N X 43 ALA CA X 43 ALA C X 44 LEU N 1.0 -73.24 -13.24 PSI 65 65 X 43 ALA C X 44 LEU N X 44 LEU CA X 44 LEU C 1.0 -91.46 -31.46 PHI 66 66 X 44 LEU N X 44 LEU CA X 44 LEU C X 45 ASP N 1.0 -69.77 -9.77 PSI 67 67 X 44 LEU C X 45 ASP N X 45 ASP CA X 45 ASP C 1.0 -95.53 -35.53 PHI 68 68 X 45 ASP N X 45 ASP CA X 45 ASP C X 46 THR N 1.0 -68.03 -8.03 PSI 69 69 X 45 ASP C X 46 THR N X 46 THR CA X 46 THR C 1.0 -95.43 -35.43 PHI 70 70 X 46 THR N X 46 THR CA X 46 THR C X 47 ILE N 1.0 -66.31 -6.31 PSI 71 71 X 46 THR C X 47 ILE N X 47 ILE CA X 47 ILE C 1.0 -125.10 -65.10 PHI 72 72 X 47 ILE N X 47 ILE CA X 47 ILE C X 48 GLN N 1.0 -21.68 38.32 PSI stop_ save_