data_nef_c15592_2jy8 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 2JY8 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 A 1 GLY start . false 2 A 2 SER middle . . 3 A 3 PRO middle . false 4 A 4 PRO middle . false 5 A 5 GLU middle . . 6 A 6 ALA middle . . 7 A 7 ASP middle . . 8 A 8 PRO middle . false 9 A 9 ARG middle . . 10 A 10 LEU middle . . 11 A 11 ILE middle . . 12 A 12 GLU middle . . 13 A 13 SER middle . . 14 A 14 LEU middle . . 15 A 15 SER middle . . 16 A 16 GLN middle . . 17 A 17 MET middle . . 18 A 18 LEU middle . . 19 A 19 SER middle . . 20 A 20 MET middle . . 21 A 21 GLY middle . false 22 A 22 PHE middle . . 23 A 23 SER middle . . 24 A 24 ASP middle . . 25 A 25 GLU middle . . 26 A 26 GLY middle . false 27 A 27 GLY middle . false 28 A 28 TRP middle . . 29 A 29 LEU middle . . 30 A 30 THR middle . . 31 A 31 ARG middle . . 32 A 32 LEU middle . . 33 A 33 LEU middle . . 34 A 34 GLN middle . . 35 A 35 THR middle . . 36 A 36 LYS middle . . 37 A 37 ASN middle . . 38 A 38 TYR middle . . 39 A 39 ASP middle . . 40 A 40 ILE middle . . 41 A 41 GLY middle . false 42 A 42 ALA middle . . 43 A 43 ALA middle . . 44 A 44 LEU middle . . 45 A 45 ASP middle . . 46 A 46 THR middle . . 47 A 47 ILE middle . . 48 A 48 GLN middle . . 49 A 49 TYR middle . . 50 A 50 SER middle . . 51 A 51 LYS middle . . 52 A 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 A 1 GLY HA2 H 1 3.874 0.000 A 1 GLY CA C 13 43.274 0.000 A 2 SER HA H 1 4.833 0.002 A 2 SER HBx H 1 3.739 0.034 A 2 SER HBy H 1 3.911 0.010 A 2 SER CA C 13 56.726 0.157 A 2 SER CB C 13 62.829 0.008 A 3 PRO HA H 1 4.754 0.010 A 3 PRO HBx H 1 1.964 0.004 A 3 PRO HBy H 1 2.403 0.006 A 3 PRO HDx H 1 3.823 0.007 A 3 PRO HDy H 1 3.955 0.006 A 3 PRO HG2 H 1 2.060 0.002 A 3 PRO CA C 13 61.662 0.116 A 3 PRO CB C 13 30.795 0.424 A 3 PRO CD C 13 50.858 0.292 A 3 PRO CG C 13 27.245 0.222 A 4 PRO HA H 1 4.429 0.008 A 4 PRO HBx H 1 1.945 0.007 A 4 PRO HBy H 1 2.334 0.009 A 4 PRO HDx H 1 3.713 0.017 A 4 PRO HDy H 1 3.887 0.006 A 4 PRO HG2 H 1 2.077 0.005 A 4 PRO C C 13 177.069 0.020 A 4 PRO CA C 13 63.297 0.215 A 4 PRO CB C 13 31.745 0.150 A 4 PRO CD C 13 50.309 0.087 A 4 PRO CG C 13 27.104 0.041 A 5 GLU H H 1 8.560 0.010 A 5 GLU HA H 1 4.219 0.010 A 5 GLU HB2 H 1 1.973 0.040 A 5 GLU HG2 H 1 2.291 0.008 A 5 GLU C C 13 175.967 0.034 A 5 GLU CA C 13 56.519 0.120 A 5 GLU CB C 13 29.754 0.051 A 5 GLU CG C 13 36.132 0.148 A 5 GLU N N 15 120.085 0.094 A 6 ALA H H 1 8.147 0.011 A 6 ALA HA H 1 4.315 0.008 A 6 ALA HB% H 1 1.333 0.011 A 6 ALA C C 13 176.456 0.031 A 6 ALA CA C 13 51.518 0.196 A 6 ALA CB C 13 19.771 0.500 A 6 ALA N N 15 124.343 0.168 A 7 ASP H H 1 8.302 0.010 A 7 ASP HA H 1 4.739 0.018 A 7 ASP HB2 H 1 2.592 0.023 A 7 ASP C C 13 175.588 0.000 A 7 ASP CA C 13 51.948 0.258 A 7 ASP CB C 13 42.093 0.185 A 7 ASP N N 15 123.019 0.090 A 8 PRO HA H 1 4.216 0.008 A 8 PRO HBx H 1 1.975 0.019 A 8 PRO HBy H 1 2.388 0.012 A 8 PRO HDx H 1 3.711 0.005 A 8 PRO HDy H 1 3.839 0.014 A 8 PRO HG2 H 1 2.072 0.008 A 8 PRO C C 13 178.721 0.015 A 8 PRO CA C 13 64.935 0.366 A 8 PRO CB C 13 31.855 0.228 A 8 PRO CD C 13 50.275 0.058 A 8 PRO CG C 13 27.159 0.012 A 9 ARG H H 1 8.749 0.010 A 9 ARG HA H 1 4.002 0.014 A 9 ARG HBx H 1 1.101 0.009 A 9 ARG HBy H 1 1.390 0.009 A 9 ARG HDx H 1 3.139 0.006 A 9 ARG HDy H 1 3.290 0.003 A 9 ARG HE H 1 7.500 0.002 A 9 ARG HG2 H 1 1.635 0.013 A 9 ARG C C 13 179.679 0.022 A 9 ARG CA C 13 58.060 0.310 A 9 ARG CB C 13 29.697 0.191 A 9 ARG CD C 13 43.448 0.109 A 9 ARG CG C 13 26.405 0.049 A 9 ARG N N 15 117.151 0.153 A 9 ARG NE N 15 124.793 0.141 A 10 LEU H H 1 7.240 0.013 A 10 LEU HA H 1 3.875 0.014 A 10 LEU HBx H 1 1.558 0.015 A 10 LEU HBy H 1 2.071 0.006 A 10 LEU HDx% H 1 1.093 0.007 A 10 LEU HDy% H 1 1.107 0.006 A 10 LEU HG H 1 0.768 0.008 A 10 LEU C C 13 176.907 0.042 A 10 LEU CA C 13 57.421 0.153 A 10 LEU CB C 13 40.440 0.283 A 10 LEU CDy C 13 25.312 0.225 A 10 LEU CDx C 13 22.978 0.243 A 10 LEU CG C 13 26.555 0.000 A 10 LEU N N 15 121.323 0.144 A 11 ILE H H 1 7.405 0.013 A 11 ILE HA H 1 3.574 0.007 A 11 ILE HB H 1 1.866 0.011 A 11 ILE HD1% H 1 0.785 0.009 A 11 ILE HG1x H 1 1.245 0.006 A 11 ILE HG1y H 1 1.488 0.008 A 11 ILE HG2% H 1 0.904 0.007 A 11 ILE C C 13 179.095 0.029 A 11 ILE CA C 13 63.935 0.113 A 11 ILE CB C 13 37.093 0.174 A 11 ILE CD1 C 13 11.599 0.136 A 11 ILE CG1 C 13 27.838 0.129 A 11 ILE CG2 C 13 16.630 0.239 A 11 ILE N N 15 117.083 0.195 A 12 GLU H H 1 7.861 0.007 A 12 GLU HA H 1 4.094 0.011 A 12 GLU HBx H 1 2.007 0.003 A 12 GLU HBy H 1 2.072 0.016 A 12 GLU HGx H 1 2.219 0.014 A 12 GLU HGy H 1 2.275 0.020 A 12 GLU C C 13 178.343 0.052 A 12 GLU CA C 13 59.555 0.187 A 12 GLU CB C 13 29.925 0.076 A 12 GLU CG C 13 35.544 0.013 A 12 GLU N N 15 119.217 0.068 A 13 SER H H 1 7.883 0.005 A 13 SER HA H 1 4.335 0.009 A 13 SER HB2 H 1 3.841 0.014 A 13 SER C C 13 176.446 0.000 A 13 SER CA C 13 61.969 0.155 A 13 SER CB C 13 63.484 0.114 A 13 SER N N 15 115.630 0.168 A 14 LEU H H 1 8.937 0.010 A 14 LEU HA H 1 3.767 0.014 A 14 LEU HBx H 1 1.428 0.007 A 14 LEU HBy H 1 1.728 0.015 A 14 LEU HDx% H 1 0.635 0.010 A 14 LEU HDy% H 1 0.750 0.017 A 14 LEU HG H 1 1.436 0.006 A 14 LEU C C 13 178.649 0.000 A 14 LEU CA C 13 58.005 0.376 A 14 LEU CB C 13 42.370 0.234 A 14 LEU CDx C 13 23.327 0.161 A 14 LEU CDy C 13 23.837 0.087 A 14 LEU CG C 13 26.611 0.023 A 14 LEU N N 15 124.219 0.099 A 15 SER H H 1 7.986 0.005 A 15 SER HA H 1 4.076 0.007 A 15 SER HB2 H 1 4.034 0.007 A 15 SER C C 13 177.978 0.000 A 15 SER CA C 13 61.733 0.000 A 15 SER CB C 13 62.549 0.000 A 15 SER N N 15 113.092 0.099 A 16 GLN H H 1 7.950 0.012 A 16 GLN HA H 1 4.107 0.010 A 16 GLN HB2 H 1 1.855 0.010 A 16 GLN HE2x H 1 6.600 0.007 A 16 GLN HE2y H 1 7.300 0.003 A 16 GLN HGx H 1 2.451 0.012 A 16 GLN HGy H 1 2.616 0.016 A 16 GLN C C 13 179.396 0.012 A 16 GLN CA C 13 59.015 0.120 A 16 GLN CB C 13 27.828 0.055 A 16 GLN CG C 13 33.834 0.216 A 16 GLN N N 15 120.855 0.092 A 16 GLN NE2 N 15 109.196 0.112 A 17 MET H H 1 8.154 0.009 A 17 MET HA H 1 4.307 0.006 A 17 MET HB2 H 1 2.063 0.016 A 17 MET HE% H 1 1.075 0.006 A 17 MET HGx H 1 2.246 0.008 A 17 MET HGy H 1 2.676 0.006 A 17 MET C C 13 179.342 0.000 A 17 MET CA C 13 59.714 0.216 A 17 MET CB C 13 31.821 0.108 A 17 MET CE C 13 16.331 0.038 A 17 MET CG C 13 34.021 0.172 A 17 MET N N 15 118.142 0.118 A 18 LEU H H 1 9.103 0.012 A 18 LEU HA H 1 4.485 0.011 A 18 LEU HBx H 1 1.577 0.007 A 18 LEU HBy H 1 1.851 0.005 A 18 LEU HDx% H 1 0.787 0.013 A 18 LEU HDy% H 1 0.799 0.006 A 18 LEU HG H 1 1.853 0.008 A 18 LEU C C 13 182.237 0.030 A 18 LEU CA C 13 57.769 0.307 A 18 LEU CB C 13 40.405 0.327 A 18 LEU CDx C 13 23.039 0.180 A 18 LEU CDy C 13 24.742 0.128 A 18 LEU CG C 13 27.291 0.235 A 18 LEU N N 15 122.650 0.120 A 19 SER H H 1 7.977 0.010 A 19 SER HA H 1 4.303 0.009 A 19 SER HB2 H 1 4.062 0.021 A 19 SER C C 13 174.984 0.000 A 19 SER CA C 13 61.463 0.058 A 19 SER CB C 13 62.723 0.181 A 19 SER N N 15 117.017 0.179 A 20 MET H H 1 7.248 0.018 A 20 MET HA H 1 3.682 0.003 A 20 MET HBx H 1 1.980 0.006 A 20 MET HBy H 1 2.300 0.016 A 20 MET HE% H 1 1.957 0.004 A 20 MET HGx H 1 1.661 0.006 A 20 MET HGy H 1 2.602 0.015 A 20 MET C C 13 175.135 0.040 A 20 MET CA C 13 56.116 0.136 A 20 MET CB C 13 33.349 0.019 A 20 MET CE C 13 18.047 0.303 A 20 MET CG C 13 31.582 0.268 A 20 MET N N 15 118.004 0.136 A 21 GLY H H 1 7.665 0.006 A 21 GLY HAx H 1 3.616 0.000 A 21 GLY HAy H 1 3.649 0.002 A 21 GLY C C 13 174.935 0.041 A 21 GLY CA C 13 45.080 0.033 A 21 GLY N N 15 103.618 0.128 A 22 PHE H H 1 7.411 0.008 A 22 PHE HA H 1 4.585 0.009 A 22 PHE HBx H 1 2.511 0.008 A 22 PHE HBy H 1 3.218 0.012 A 22 PHE HD1 H 1 7.674 0.005 A 22 PHE HD2 H 1 7.674 0.005 A 22 PHE HE1 H 1 7.291 0.005 A 22 PHE HE2 H 1 7.291 0.005 A 22 PHE HZ H 1 6.885 0.007 A 22 PHE C C 13 173.072 0.035 A 22 PHE CA C 13 59.168 0.166 A 22 PHE CB C 13 39.718 0.475 A 22 PHE CD1 C 13 131.859 0.334 A 22 PHE CD2 C 13 131.859 0.334 A 22 PHE CE1 C 13 131.972 0.241 A 22 PHE CE2 C 13 131.972 0.241 A 22 PHE CZ C 13 129.008 0.292 A 22 PHE N N 15 118.245 0.163 A 23 SER H H 1 8.725 0.008 A 23 SER HA H 1 4.671 0.007 A 23 SER HBx H 1 3.940 0.015 A 23 SER HBy H 1 4.115 0.009 A 23 SER C C 13 171.971 0.039 A 23 SER CA C 13 56.839 0.125 A 23 SER CB C 13 65.509 0.159 A 23 SER N N 15 114.241 0.112 A 24 ASP H H 1 8.604 0.014 A 24 ASP HA H 1 4.987 0.014 A 24 ASP HBx H 1 1.943 0.009 A 24 ASP HBy H 1 2.666 0.010 A 24 ASP C C 13 177.661 0.013 A 24 ASP CA C 13 52.317 0.201 A 24 ASP CB C 13 41.933 0.248 A 24 ASP N N 15 119.298 0.149 A 25 GLU H H 1 8.951 0.011 A 25 GLU HA H 1 4.272 0.009 A 25 GLU HB2 H 1 2.178 0.007 A 25 GLU HGx H 1 2.440 0.011 A 25 GLU HGy H 1 2.488 0.015 A 25 GLU C C 13 179.579 0.027 A 25 GLU CA C 13 58.673 0.281 A 25 GLU CB C 13 28.853 0.392 A 25 GLU CG C 13 35.678 0.048 A 25 GLU N N 15 124.061 0.133 A 26 GLY H H 1 9.327 0.006 A 26 GLY HAx H 1 3.978 0.004 A 26 GLY HAy H 1 4.235 0.006 A 26 GLY C C 13 175.244 0.000 A 26 GLY CA C 13 46.038 0.074 A 26 GLY N N 15 116.154 0.094 A 27 GLY H H 1 8.453 0.008 A 27 GLY HAx H 1 4.070 0.010 A 27 GLY HAy H 1 4.142 0.012 A 27 GLY C C 13 176.144 0.031 A 27 GLY CA C 13 46.241 0.147 A 27 GLY N N 15 108.403 0.176 A 28 TRP H H 1 7.113 0.013 A 28 TRP HA H 1 4.191 0.013 A 28 TRP HBx H 1 3.275 0.010 A 28 TRP HBy H 1 3.600 0.009 A 28 TRP HD1 H 1 8.207 0.006 A 28 TRP HE1 H 1 10.178 0.005 A 28 TRP HE3 H 1 7.425 0.005 A 28 TRP HH2 H 1 7.062 0.009 A 28 TRP HZ2 H 1 7.899 0.010 A 28 TRP HZ3 H 1 6.917 0.014 A 28 TRP C C 13 176.546 0.046 A 28 TRP CA C 13 59.964 0.369 A 28 TRP CB C 13 27.574 0.192 A 28 TRP CD1 C 13 127.447 0.136 A 28 TRP CE3 C 13 120.393 0.246 A 28 TRP CH2 C 13 123.011 0.310 A 28 TRP CZ2 C 13 115.933 0.255 A 28 TRP CZ3 C 13 119.201 0.000 A 28 TRP N N 15 118.507 0.102 A 28 TRP NE1 N 15 132.005 0.124 A 29 LEU H H 1 7.671 0.013 A 29 LEU HA H 1 3.334 0.010 A 29 LEU HBx H 1 -0.049 0.018 A 29 LEU HBy H 1 1.132 0.012 A 29 LEU HDx% H 1 0.353 0.009 A 29 LEU HDy% H 1 0.369 0.006 A 29 LEU HG H 1 0.960 0.015 A 29 LEU C C 13 178.375 0.000 A 29 LEU CA C 13 56.638 0.225 A 29 LEU CB C 13 40.420 0.252 A 29 LEU CDx C 13 22.595 0.367 A 29 LEU CDy C 13 25.230 0.222 A 29 LEU CG C 13 25.987 0.327 A 29 LEU N N 15 128.905 0.189 A 30 THR H H 1 8.824 0.011 A 30 THR HA H 1 3.513 0.006 A 30 THR HB H 1 4.177 0.007 A 30 THR HG2% H 1 1.108 0.009 A 30 THR C C 13 176.236 0.000 A 30 THR CA C 13 68.798 0.118 A 30 THR CB C 13 67.791 0.124 A 30 THR CG2 C 13 21.096 0.157 A 30 THR N N 15 121.253 0.127 A 31 ARG H H 1 7.907 0.007 A 31 ARG HA H 1 4.145 0.008 A 31 ARG HBx H 1 1.832 0.005 A 31 ARG HBy H 1 1.921 0.013 A 31 ARG HDx H 1 3.216 0.006 A 31 ARG HDy H 1 3.381 0.017 A 31 ARG HG2 H 1 1.567 0.027 A 31 ARG C C 13 179.124 0.010 A 31 ARG CA C 13 59.395 0.132 A 31 ARG CB C 13 29.645 0.025 A 31 ARG CD C 13 43.201 0.131 A 31 ARG CG C 13 26.937 0.000 A 31 ARG N N 15 117.247 0.133 A 32 LEU H H 1 7.884 0.008 A 32 LEU HA H 1 4.138 0.007 A 32 LEU HBx H 1 1.660 0.012 A 32 LEU HBy H 1 1.838 0.010 A 32 LEU HDx% H 1 0.980 0.012 A 32 LEU HDy% H 1 0.991 0.010 A 32 LEU HG H 1 1.248 0.012 A 32 LEU C C 13 179.111 0.027 A 32 LEU CA C 13 58.069 0.290 A 32 LEU CB C 13 41.495 0.238 A 32 LEU CDx C 13 23.240 0.140 A 32 LEU CDy C 13 24.974 0.360 A 32 LEU CG C 13 27.027 0.088 A 32 LEU N N 15 121.930 0.142 A 33 LEU H H 1 8.727 0.009 A 33 LEU HA H 1 3.529 0.010 A 33 LEU HBx H 1 1.057 0.008 A 33 LEU HBy H 1 1.979 0.017 A 33 LEU HDx% H 1 0.568 0.012 A 33 LEU HDy% H 1 0.643 0.013 A 33 LEU HG H 1 1.410 0.010 A 33 LEU C C 13 179.444 0.000 A 33 LEU CA C 13 58.603 0.265 A 33 LEU CB C 13 41.774 0.139 A 33 LEU CDx C 13 22.172 0.371 A 33 LEU CDy C 13 24.684 0.236 A 33 LEU CG C 13 27.407 0.096 A 33 LEU N N 15 118.565 0.051 A 34 GLN H H 1 8.106 0.006 A 34 GLN HA H 1 3.550 0.006 A 34 GLN HBx H 1 2.051 0.009 A 34 GLN HBy H 1 2.395 0.005 A 34 GLN HE2x H 1 6.827 0.009 A 34 GLN HE2y H 1 7.329 0.011 A 34 GLN HGx H 1 2.529 0.009 A 34 GLN HGy H 1 2.739 0.005 A 34 GLN C C 13 179.651 0.024 A 34 GLN CA C 13 59.363 0.224 A 34 GLN CB C 13 28.230 0.394 A 34 GLN CG C 13 34.374 0.142 A 34 GLN N N 15 117.861 0.082 A 34 GLN NE2 N 15 110.699 0.130 A 35 THR H H 1 8.146 0.009 A 35 THR HA H 1 4.118 0.014 A 35 THR HB H 1 4.381 0.012 A 35 THR HG2% H 1 1.345 0.004 A 35 THR C C 13 175.364 0.020 A 35 THR CA C 13 65.658 0.193 A 35 THR CB C 13 69.493 0.293 A 35 THR CG2 C 13 21.655 0.226 A 35 THR N N 15 114.352 0.178 A 36 LYS H H 1 7.489 0.008 A 36 LYS HA H 1 4.526 0.011 A 36 LYS HBx H 1 1.549 0.010 A 36 LYS HBy H 1 2.220 0.013 A 36 LYS HDx H 1 1.373 0.022 A 36 LYS HDy H 1 1.568 0.008 A 36 LYS HEx H 1 2.746 0.004 A 36 LYS HEy H 1 2.935 0.014 A 36 LYS HG2 H 1 0.954 0.013 A 36 LYS C C 13 176.413 0.032 A 36 LYS CA C 13 52.616 0.141 A 36 LYS CB C 13 30.131 0.094 A 36 LYS CD C 13 27.129 0.021 A 36 LYS CE C 13 42.552 0.249 A 36 LYS CG C 13 24.775 0.000 A 36 LYS N N 15 117.515 0.104 A 37 ASN H H 1 7.761 0.010 A 37 ASN HA H 1 3.699 0.009 A 37 ASN HBx H 1 2.550 0.009 A 37 ASN HBy H 1 3.051 0.006 A 37 ASN HD2x H 1 6.836 0.008 A 37 ASN HD2y H 1 7.542 0.008 A 37 ASN C C 13 174.140 0.012 A 37 ASN CA C 13 54.551 0.155 A 37 ASN CB C 13 36.855 0.228 A 37 ASN N N 15 118.722 0.118 A 37 ASN ND2 N 15 111.875 0.194 A 38 TYR H H 1 8.458 0.010 A 38 TYR HA H 1 3.475 0.009 A 38 TYR HB2 H 1 3.115 0.007 A 38 TYR HD1 H 1 6.678 0.008 A 38 TYR HD2 H 1 6.678 0.008 A 38 TYR HE1 H 1 6.715 0.009 A 38 TYR HE2 H 1 6.715 0.009 A 38 TYR C C 13 172.979 0.035 A 38 TYR CA C 13 58.784 0.244 A 38 TYR CB C 13 34.780 0.152 A 38 TYR CD1 C 13 132.685 0.509 A 38 TYR CD2 C 13 132.685 0.509 A 38 TYR CE1 C 13 118.142 0.190 A 38 TYR CE2 C 13 118.142 0.190 A 38 TYR N N 15 107.780 0.150 A 39 ASP H H 1 7.084 0.013 A 39 ASP HA H 1 4.681 0.007 A 39 ASP HBx H 1 2.547 0.007 A 39 ASP HBy H 1 3.070 0.017 A 39 ASP C C 13 175.564 0.014 A 39 ASP CA C 13 53.222 0.220 A 39 ASP CB C 13 41.917 0.301 A 39 ASP N N 15 119.860 0.075 A 40 ILE H H 1 8.502 0.009 A 40 ILE HA H 1 3.510 0.009 A 40 ILE HB H 1 1.819 0.016 A 40 ILE HD1% H 1 0.958 0.006 A 40 ILE HG1x H 1 1.163 0.014 A 40 ILE HG1y H 1 1.702 0.008 A 40 ILE HG2% H 1 0.886 0.012 A 40 ILE C C 13 177.537 0.020 A 40 ILE CA C 13 65.154 0.364 A 40 ILE CB C 13 38.092 0.295 A 40 ILE CD1 C 13 14.223 0.264 A 40 ILE CG1 C 13 28.064 0.151 A 40 ILE CG2 C 13 16.536 0.141 A 40 ILE N N 15 127.024 0.219 A 41 GLY H H 1 8.330 0.006 A 41 GLY HAx H 1 3.460 0.008 A 41 GLY HAy H 1 3.895 0.005 A 41 GLY C C 13 174.993 0.027 A 41 GLY CA C 13 47.711 0.092 A 41 GLY N N 15 107.981 0.093 A 42 ALA H H 1 8.031 0.008 A 42 ALA HA H 1 4.207 0.007 A 42 ALA HB% H 1 1.509 0.006 A 42 ALA C C 13 181.505 0.024 A 42 ALA CA C 13 54.333 0.360 A 42 ALA CB C 13 18.495 0.192 A 42 ALA N N 15 123.653 0.082 A 43 ALA H H 1 8.249 0.006 A 43 ALA HA H 1 3.835 0.010 A 43 ALA HB% H 1 1.202 0.006 A 43 ALA C C 13 179.108 0.000 A 43 ALA CA C 13 55.583 0.190 A 43 ALA CB C 13 16.699 0.109 A 43 ALA N N 15 121.737 0.106 A 44 LEU H H 1 8.733 0.012 A 44 LEU HA H 1 3.845 0.016 A 44 LEU HBx H 1 1.403 0.015 A 44 LEU HBy H 1 2.014 0.011 A 44 LEU HDx% H 1 0.654 0.009 A 44 LEU HDy% H 1 0.740 0.009 A 44 LEU HG H 1 0.775 0.012 A 44 LEU C C 13 179.526 0.000 A 44 LEU CA C 13 57.784 0.143 A 44 LEU CB C 13 41.013 0.238 A 44 LEU CDx C 13 24.941 0.089 A 44 LEU CDy C 13 25.034 0.042 A 44 LEU CG C 13 26.935 0.104 A 44 LEU N N 15 118.513 0.079 A 45 ASP H H 1 8.215 0.008 A 45 ASP HA H 1 4.463 0.004 A 45 ASP HBx H 1 2.786 0.012 A 45 ASP HBy H 1 2.875 0.018 A 45 ASP C C 13 177.961 0.054 A 45 ASP CA C 13 57.089 0.191 A 45 ASP CB C 13 39.851 0.017 A 45 ASP N N 15 119.693 0.121 A 46 THR H H 1 7.739 0.011 A 46 THR HA H 1 4.124 0.007 A 46 THR HB H 1 4.354 0.012 A 46 THR HG2% H 1 1.313 0.011 A 46 THR C C 13 176.258 0.024 A 46 THR CA C 13 66.229 0.147 A 46 THR CB C 13 69.255 0.212 A 46 THR CG2 C 13 21.646 0.269 A 46 THR N N 15 116.302 0.179 A 47 ILE H H 1 8.061 0.012 A 47 ILE HA H 1 3.805 0.011 A 47 ILE HB H 1 1.895 0.006 A 47 ILE HD1% H 1 0.647 0.010 A 47 ILE HG1x H 1 1.230 0.011 A 47 ILE HG1y H 1 1.839 0.022 A 47 ILE HG2% H 1 1.094 0.011 A 47 ILE C C 13 177.292 0.016 A 47 ILE CA C 13 64.508 0.229 A 47 ILE CB C 13 38.789 0.216 A 47 ILE CD1 C 13 13.974 0.110 A 47 ILE CG1 C 13 28.978 0.141 A 47 ILE CG2 C 13 17.512 0.366 A 47 ILE N N 15 122.781 0.138 A 48 GLN H H 1 8.064 0.008 A 48 GLN HA H 1 4.132 0.011 A 48 GLN HBx H 1 1.840 0.007 A 48 GLN HBy H 1 1.964 0.012 A 48 GLN HE2x H 1 6.824 0.012 A 48 GLN HE2y H 1 7.389 0.001 A 48 GLN HG2 H 1 2.179 0.015 A 48 GLN C C 13 176.764 0.031 A 48 GLN CA C 13 57.630 0.159 A 48 GLN CB C 13 28.129 0.127 A 48 GLN CG C 13 32.942 0.000 A 48 GLN N N 15 119.090 0.071 A 48 GLN NE2 N 15 111.106 0.062 A 49 TYR H H 1 7.976 0.010 A 49 TYR HA H 1 4.703 0.011 A 49 TYR HBx H 1 3.044 0.008 A 49 TYR HBy H 1 3.287 0.004 A 49 TYR HD1 H 1 7.241 0.013 A 49 TYR HD2 H 1 7.241 0.013 A 49 TYR HE1 H 1 6.867 0.015 A 49 TYR HE2 H 1 6.867 0.015 A 49 TYR C C 13 176.283 0.000 A 49 TYR CA C 13 58.333 0.267 A 49 TYR CB C 13 38.525 0.231 A 49 TYR CD1 C 13 133.820 0.143 A 49 TYR CD2 C 13 133.820 0.143 A 49 TYR CE1 C 13 118.050 0.161 A 49 TYR CE2 C 13 118.050 0.161 A 49 TYR N N 15 118.029 0.172 A 50 SER H H 1 7.988 0.008 A 50 SER HA H 1 4.468 0.029 A 50 SER HB2 H 1 3.956 0.015 A 50 SER C C 13 173.958 0.009 A 50 SER CA C 13 62.940 0.142 A 50 SER CB C 13 63.809 0.255 A 50 SER N N 15 115.687 0.036 A 51 LYS H H 1 8.137 0.011 A 51 LYS HA H 1 4.355 0.006 A 51 LYS HBx H 1 1.761 0.007 A 51 LYS HBy H 1 1.864 0.004 A 51 LYS HD2 H 1 1.693 0.007 A 51 LYS HE2 H 1 2.991 0.007 A 51 LYS HG2 H 1 1.447 0.006 A 51 LYS C C 13 175.367 0.000 A 51 LYS CA C 13 56.199 0.283 A 51 LYS CB C 13 32.611 0.038 A 51 LYS CD C 13 28.716 0.042 A 51 LYS CE C 13 41.871 0.040 A 51 LYS CG C 13 24.354 0.051 A 51 LYS N N 15 122.927 0.067 A 52 HIS H H 1 7.972 0.007 A 52 HIS HA H 1 4.407 0.033 A 52 HIS HBx H 1 3.001 0.033 A 52 HIS HBy H 1 3.162 0.003 A 52 HIS HD2 H 1 7.065 0.016 A 52 HIS HE1 H 1 8.126 0.000 A 52 HIS C C 13 179.261 0.000 A 52 HIS CA C 13 56.949 0.117 A 52 HIS CB C 13 30.217 0.045 A 52 HIS CD2 C 13 120.089 0.219 A 52 HIS CE1 C 13 136.633 0.000 A 52 HIS N N 15 125.281 0.083 stop_ save_ save_CNS/XPLOR_distance_constraints_7 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_7 _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 A 4 PRO HBy A 9 ARG HE 1.0 1.8 7.5 2 2 A 4 PRO HBx A 9 ARG HE 1.0 1.8 7.5 3 3 A 10 LEU HDx% A 29 LEU HDx% 1.0 1.8 6.5 4 4 A 10 LEU HDy% A 33 LEU HA 1.0 1.8 5.3 5 5 A 10 LEU HDx% A 34 GLN HE2y 1.0 1.8 7.5 6 6 A 13 SER HA A 32 LEU HDx% 1.0 1.8 7.5 7 7 A 33 LEU HDx% A 13 SER H 1.0 1.8 7.5 8 8 A 13 SER H A 33 LEU HDy% 1.0 1.8 7.5 9 9 A 14 LEU HDx% A 29 LEU HDx% 1.0 1.8 5.3 10 10 A 14 LEU H A 32 LEU HDx% 1.0 1.8 6.5 11 11 A 15 SER H A 29 LEU HDx% 1.0 1.8 7.5 12 12 A 15 SER H A 47 ILE HG2% 1.0 1.8 6.5 13 13 A 29 LEU HDy% A 16 GLN H 1.0 1.8 7.5 14 14 A 16 GLN HE2x A 32 LEU HDx% 1.0 1.8 6.5 15 15 A 16 GLN HE2y A 32 LEU HDy% 1.0 1.8 5.3 16 16 A 16 GLN H A 32 LEU HDx% 1.0 1.8 6.5 17 17 A 16 GLN HE2x A 33 LEU HBx 1.0 1.8 6.5 18 18 A 16 GLN HE2y A 33 LEU HBx 1.0 1.8 6.5 19 19 A 17 MET H A 29 LEU HDx% 1.0 1.8 7.5 20 20 A 17 MET H A 47 ILE HD1% 1.0 1.8 7.5 21 21 A 18 LEU H A 29 LEU HDx% 1.0 1.8 7.5 22 22 A 18 LEU H A 29 LEU HG 1.0 1.8 7.5 23 23 A 22 PHE HBy A 29 LEU HDx% 1.0 1.8 7.5 24 24 A 22 PHE HBy A 29 LEU HDx% 1.0 1.8 7.5 25 25 A 22 PHE H A 29 LEU HDx% 1.0 1.8 7.5 26 26 A 22 PHE HZ A 44 LEU HDx% 1.0 1.8 6.5 27 27 A 23 SER HA A 18 LEU HDy% 1.0 1.8 6.5 28 28 A 23 SER H A 18 LEU HDx% 1.0 1.8 6.5 29 29 A 23 SER H A 28 TRP HH2 1.0 1.8 7.5 30 30 A 23 SER H A 28 TRP HZ2 1.0 1.8 7.5 31 31 A 23 SER H A 29 LEU HDx% 1.0 1.8 6.5 32 32 A 23 SER H A 47 ILE HG2% 1.0 1.8 7.5 33 33 A 23 SER H A 48 GLN HBx 1.0 1.8 7.0 34 34 A 24 ASP HA A 29 LEU HBy 1.0 1.8 7.0 35 35 A 24 ASP HA A 29 LEU HBx 1.0 1.8 7.0 36 36 A 24 ASP HA A 29 LEU HDx% 1.0 1.8 7.5 37 37 A 14 LEU HDx% A 28 TRP HE3 1.0 1.8 8.5 38 38 A 28 TRP HH2 A 14 LEU HDx% 1.0 1.8 7.5 39 39 A 14 LEU HDx% A 28 TRP HZ2 1.0 1.8 8.5 40 40 A 28 TRP HH2 A 16 GLN HBy 1.0 1.8 8.5 41 41 A 22 PHE HA A 28 TRP HE1 1.0 1.8 7.5 42 42 A 22 PHE HBy A 28 TRP HH2 1.0 1.8 8.5 43 43 A 22 PHE HA A 28 TRP HZ2 1.0 1.8 8.5 44 44 A 22 PHE HBy A 28 TRP HZ2 1.0 1.8 8.5 45 45 A 23 SER HA A 28 TRP HE1 1.0 1.8 7.5 46 46 A 29 LEU H A 24 ASP HBx 1.0 1.8 7.0 47 47 A 30 THR H A 24 ASP HBy 1.0 1.8 7.0 48 48 A 13 SER HBy A 32 LEU HDy% 1.0 1.8 6.5 49 49 A 14 LEU HA A 33 LEU HDy% 1.0 1.8 5.3 50 50 A 14 LEU HBy A 33 LEU HDy% 1.0 1.8 6.5 51 51 A 14 LEU H A 33 LEU HDy% 1.0 1.8 6.5 52 52 A 24 ASP HBx A 33 LEU HDy% 1.0 1.8 7.5 53 53 A 29 LEU HDy% A 34 GLN H 1.0 1.8 7.5 54 54 A 35 THR H A 30 THR HG2% 1.0 1.8 7.5 55 55 A 33 LEU HDx% A 38 TYR HA 1.0 1.8 6.5 56 56 A 33 LEU HDx% A 38 TYR HBy 1.0 1.8 8.5 57 57 A 33 LEU HDx% A 38 TYR H 1.0 1.8 6.5 58 58 A 38 TYR H A 33 LEU HDy% 1.0 1.8 7.5 59 59 A 38 TYR H A 33 LEU HG 1.0 1.8 6.5 60 60 A 33 LEU HDx% A 39 ASP H 1.0 1.8 7.5 61 61 A 40 ILE H A 10 LEU HG 1.0 1.8 7.5 62 62 A 24 ASP HBx A 40 ILE HD1% 1.0 1.8 6.5 63 63 A 25 GLU HGy A 40 ILE HD1% 1.0 1.8 6.5 64 64 A 40 ILE H A 29 LEU HBy 1.0 1.8 7.0 65 65 A 29 LEU HDy% A 40 ILE H 1.0 1.8 7.5 66 66 A 33 LEU HDx% A 40 ILE HA 1.0 1.8 7.5 67 67 A 33 LEU HDx% A 40 ILE HD1% 1.0 1.8 6.5 68 68 A 40 ILE H A 33 LEU HDy% 1.0 1.8 7.5 69 69 A 10 LEU HDx% A 41 GLY H 1.0 1.8 6.5 70 70 A 33 LEU HDx% A 41 GLY H 1.0 1.8 7.5 71 71 A 33 LEU HDx% A 42 ALA H 1.0 1.8 7.5 72 72 A 36 LYS HBx A 42 ALA HB% 1.0 1.8 7.5 73 73 A 36 LYS HG2 A 42 ALA HB% 1.0 1.8 6.5 74 74 A 29 LEU HDx% A 43 ALA HB% 1.0 1.8 7.5 75 75 A 29 LEU HDy% A 43 ALA H 1.0 1.8 7.5 76 76 A 33 LEU HDx% A 43 ALA HB% 1.0 1.8 5.3 77 77 A 33 LEU HDx% A 43 ALA H 1.0 1.8 6.5 78 78 A 24 ASP HBx A 44 LEU HDy% 1.0 1.8 7.5 79 79 A 25 GLU H A 44 LEU HDy% 1.0 1.8 7.5 80 80 A 20 MET H A 47 ILE HD1% 1.0 1.8 7.5 81 81 A 20 MET H A 47 ILE HG2% 1.0 1.8 6.5 82 82 A 21 GLY H A 47 ILE HD1% 1.0 1.8 7.5 83 83 A 21 GLY H A 47 ILE HG2% 1.0 1.8 6.5 84 84 A 28 TRP HH2 A 47 ILE HD1% 1.0 1.8 6.5 85 85 A 29 LEU HDy% A 47 ILE HD1% 1.0 1.8 6.5 86 86 A 22 PHE HA A 48 GLN HE2x 1.0 1.8 6.5 87 87 A 22 PHE HA A 48 GLN HE2y 1.0 1.8 6.5 88 88 A 40 ILE HG2% A 48 GLN HE2x 1.0 1.8 7.5 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _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 A 5 GLU H A 6 ALA H 1.0 1.8 4.5 2 2 A 6 ALA H A 7 ASP H 1.0 1.8 4.5 3 3 A 9 ARG H A 6 ALA H 1.0 1.8 5.5 4 4 A 9 ARG H A 10 LEU H 1.0 1.8 5.5 5 5 A 10 LEU H A 11 ILE H 1.0 1.8 5.5 6 6 A 10 LEU H A 13 SER H 1.0 1.8 5.5 7 7 A 10 LEU H A 12 GLU H 1.0 1.8 5.5 8 8 A 11 ILE H A 12 GLU H 1.0 1.8 4.5 9 9 A 13 SER H A 14 LEU H 1.0 1.8 5.5 10 10 A 11 ILE H A 14 LEU H 1.0 1.8 5.5 11 11 A 14 LEU H A 15 SER H 1.0 1.8 4.5 12 12 A 14 LEU H A 16 GLN H 1.0 1.8 5.5 13 13 A 17 MET H A 16 GLN H 1.0 1.8 5.5 14 14 A 17 MET H A 18 LEU H 1.0 1.8 5.5 15 15 A 18 LEU H A 19 SER H 1.0 1.8 4.5 16 16 A 20 MET H A 18 LEU H 1.0 1.8 5.5 17 17 A 18 LEU H A 21 GLY H 1.0 1.8 5.5 18 18 A 19 SER H A 21 GLY H 1.0 1.8 5.5 19 19 A 22 PHE H A 19 SER H 1.0 1.8 5.5 20 20 A 20 MET H A 19 SER H 1.0 1.8 5.5 21 21 A 20 MET H A 21 GLY H 1.0 1.8 4.5 22 22 A 22 PHE H A 21 GLY H 1.0 1.8 4.5 23 23 A 22 PHE H A 23 SER H 1.0 1.8 5.5 24 24 A 23 SER H A 24 ASP H 1.0 1.8 4.5 25 25 A 25 GLU H A 24 ASP H 1.0 1.8 4.5 26 26 A 25 GLU H A 27 GLY H 1.0 1.8 5.5 27 27 A 25 GLU H A 28 TRP H 1.0 1.8 5.5 28 28 A 27 GLY H A 29 LEU H 1.0 1.8 5.5 29 29 A 27 GLY H A 28 TRP H 1.0 1.8 5.5 30 30 A 28 TRP H A 29 LEU H 1.0 1.8 5.5 31 31 A 28 TRP H A 31 ARG H 1.0 1.8 5.5 32 32 A 29 LEU H A 30 THR H 1.0 1.8 5.5 33 33 A 31 ARG H A 30 THR H 1.0 1.8 5.5 34 34 A 29 LEU H A 31 ARG H 1.0 1.8 5.5 35 35 A 32 LEU H A 33 LEU H 1.0 1.8 5.5 36 36 A 34 GLN H A 33 LEU H 1.0 1.8 5.5 37 37 A 35 THR H A 36 LYS H 1.0 1.8 5.5 38 38 A 37 ASN H A 36 LYS H 1.0 1.8 5.5 39 39 A 35 THR H A 37 ASN H 1.0 1.8 5.5 40 40 A 37 ASN H A 38 TYR H 1.0 1.8 4.5 41 41 A 38 TYR H A 36 LYS H 1.0 1.8 5.5 42 42 A 38 TYR H A 39 ASP H 1.0 1.8 4.5 43 43 A 39 ASP H A 40 ILE H 1.0 1.8 4.5 44 44 A 39 ASP H A 42 ALA H 1.0 1.8 5.5 45 45 A 40 ILE H A 41 GLY H 1.0 1.8 4.5 46 46 A 40 ILE H A 42 ALA H 1.0 1.8 5.5 47 47 A 42 ALA H A 41 GLY H 1.0 1.8 4.5 48 48 A 41 GLY H A 43 ALA H 1.0 1.8 4.5 49 49 A 41 GLY H A 44 LEU H 1.0 1.8 5.5 50 50 A 42 ALA H A 43 ALA H 1.0 1.8 3.3 51 51 A 42 ALA H A 44 LEU H 1.0 1.8 5.5 52 52 A 40 ILE H A 43 ALA H 1.0 1.8 4.5 53 53 A 43 ALA H A 44 LEU H 1.0 1.8 5.5 54 54 A 43 ALA H A 46 THR H 1.0 1.8 5.5 55 55 A 46 THR H A 45 ASP H 1.0 1.8 5.5 56 56 A 45 ASP H A 48 GLN H 1.0 1.8 5.5 57 57 A 46 THR H A 47 ILE H 1.0 1.8 4.5 58 58 A 46 THR H A 48 GLN H 1.0 1.8 5.5 59 59 A 49 TYR H A 48 GLN H 1.0 1.8 4.5 60 60 A 5 GLU H A 4 PRO HA 1.0 1.8 3.0 61 61 A 5 GLU H A 5 GLU HA 1.0 1.8 3.3 62 62 A 6 ALA H A 4 PRO HA 1.0 1.8 5.5 63 63 A 6 ALA H A 6 ALA HA 1.0 1.8 3.3 64 64 A 7 ASP H A 7 ASP HA 1.0 1.8 4.5 65 65 A 9 ARG H A 7 ASP HA 1.0 1.8 5.5 66 66 A 9 ARG H A 8 PRO HA 1.0 1.8 5.5 67 67 A 9 ARG H A 9 ARG HA 1.0 1.8 4.5 68 68 A 10 LEU H A 7 ASP HA 1.0 1.8 4.5 69 69 A 10 LEU H A 9 ARG HA 1.0 1.8 5.5 70 70 A 10 LEU HA A 10 LEU H 1.0 1.8 5.5 71 71 A 10 LEU H A 11 ILE HA 1.0 1.8 5.5 72 72 A 11 ILE H A 8 PRO HA 1.0 1.8 5.5 73 73 A 11 ILE H A 11 ILE HA 1.0 1.8 4.5 74 74 A 12 GLU H A 8 PRO HA 1.0 1.8 4.5 75 75 A 12 GLU H A 11 ILE HA 1.0 1.8 4.5 76 76 A 12 GLU H A 12 GLU HA 1.0 1.8 3.3 77 77 A 13 SER H A 9 ARG HA 1.0 1.8 4.5 78 78 A 13 SER H A 12 GLU HA 1.0 1.8 4.5 79 79 A 13 SER H A 13 SER HA 1.0 1.8 4.5 80 80 A 14 LEU H A 11 ILE HA 1.0 1.8 4.5 81 81 A 14 LEU H A 12 GLU HA 1.0 1.8 3.3 82 82 A 14 LEU H A 13 SER HA 1.0 1.8 4.5 83 83 A 14 LEU H A 14 LEU HA 1.0 1.8 4.5 84 84 A 15 SER H A 11 ILE HA 1.0 1.8 5.5 85 85 A 15 SER H A 13 SER HA 1.0 1.8 5.5 86 86 A 15 SER H A 14 LEU HA 1.0 1.8 5.5 87 87 A 15 SER H A 15 SER HA 1.0 1.8 3.0 88 88 A 16 GLN H A 13 SER HA 1.0 1.8 4.5 89 89 A 16 GLN H A 15 SER HA 1.0 1.8 3.3 90 90 A 16 GLN H A 16 GLN HA 1.0 1.8 3.3 91 91 A 17 MET H A 14 LEU HA 1.0 1.8 5.5 92 92 A 17 MET H A 16 GLN HA 1.0 1.8 4.5 93 93 A 17 MET H A 17 MET HA 1.0 1.8 4.5 94 94 A 18 LEU H A 14 LEU HA 1.0 1.8 5.5 95 95 A 18 LEU H A 15 SER HA 1.0 1.8 4.5 96 96 A 18 LEU H A 17 MET HA 1.0 1.8 4.5 97 97 A 18 LEU H A 18 LEU HA 1.0 1.8 4.5 98 98 A 19 SER H A 18 LEU HA 1.0 1.8 4.5 99 99 A 19 SER H A 19 SER HA 1.0 1.8 3.3 100 100 A 20 MET H A 19 SER HA 1.0 1.8 4.5 101 101 A 20 MET H A 20 MET HA 1.0 1.8 4.5 102 102 A 21 GLY H A 18 LEU HA 1.0 1.8 5.5 103 103 A 21 GLY H A 19 SER HA 1.0 1.8 5.5 104 104 A 21 GLY H A 20 MET HA 1.0 1.8 5.5 105 105 A 22 PHE H A 18 LEU HA 1.0 1.8 5.5 106 106 A 22 PHE H A 20 MET HA 1.0 1.8 5.5 107 107 A 22 PHE HA A 22 PHE H 1.0 1.8 5.5 108 108 A 22 PHE H A 47 ILE HA 1.0 1.8 5.5 109 109 A 23 SER H A 23 SER HA 1.0 1.8 5.5 110 110 A 23 SER H A 24 ASP HA 1.0 1.8 5.5 111 111 A 24 ASP H A 24 ASP HA 1.0 1.8 5.5 112 112 A 25 GLU H A 25 GLU HA 1.0 1.8 3.3 113 113 A 27 GLY H A 24 ASP HA 1.0 1.8 5.5 114 114 A 28 TRP H A 24 ASP HA 1.0 1.8 5.5 115 115 A 28 TRP H A 28 TRP HA 1.0 1.8 3.3 116 116 A 29 LEU H A 24 ASP HA 1.0 1.8 5.5 117 117 A 29 LEU H A 29 LEU HA 1.0 1.8 5.5 118 118 A 30 THR H A 30 THR HA 1.0 1.8 5.5 119 119 A 31 ARG H A 31 ARG HA 1.0 1.8 3.3 120 120 A 32 LEU H A 29 LEU HA 1.0 1.8 5.5 121 121 A 32 LEU H A 30 THR HA 1.0 1.8 5.5 122 122 A 32 LEU H A 32 LEU HA 1.0 1.8 3.3 123 123 A 33 LEU H A 32 LEU HA 1.0 1.8 4.5 124 124 A 33 LEU H A 33 LEU HA 1.0 1.8 4.5 125 125 A 34 GLN H A 32 LEU HA 1.0 1.8 4.5 126 126 A 34 GLN HA A 34 GLN H 1.0 1.8 4.5 127 127 A 35 THR H A 35 THR HA 1.0 1.8 3.3 128 128 A 36 LYS H A 36 LYS HA 1.0 1.8 5.5 129 129 A 34 GLN HA A 37 ASN H 1.0 1.8 5.5 130 130 A 37 ASN H A 35 THR HA 1.0 1.8 5.5 131 131 A 37 ASN H A 36 LYS HA 1.0 1.8 4.5 132 132 A 37 ASN H A 37 ASN HA 1.0 1.8 3.3 133 133 A 37 ASN H A 38 TYR HA 1.0 1.8 4.5 134 134 A 38 TYR H A 36 LYS HA 1.0 1.8 5.5 135 135 A 38 TYR HA A 38 TYR H 1.0 1.8 3.3 136 136 A 38 TYR H A 39 ASP HA 1.0 1.8 4.5 137 137 A 39 ASP H A 39 ASP HA 1.0 1.8 3.3 138 138 A 40 ILE H A 40 ILE HA 1.0 1.8 4.5 139 139 A 41 GLY H A 39 ASP HA 1.0 1.8 4.5 140 140 A 41 GLY H A 42 ALA HA 1.0 1.8 5.5 141 141 A 42 ALA H A 39 ASP HA 1.0 1.8 5.5 142 142 A 42 ALA H A 42 ALA HA 1.0 1.8 3.3 143 143 A 43 ALA H A 39 ASP HA 1.0 1.8 5.5 144 144 A 43 ALA H A 40 ILE HA 1.0 1.8 4.5 145 145 A 43 ALA H A 42 ALA HA 1.0 1.8 4.5 146 146 A 43 ALA H A 43 ALA HA 1.0 1.8 4.5 147 147 A 44 LEU H A 44 LEU HA 1.0 1.8 5.5 148 148 A 45 ASP H A 42 ALA HA 1.0 1.8 4.5 149 149 A 45 ASP H A 44 LEU HA 1.0 1.8 4.5 150 150 A 45 ASP H A 45 ASP HA 1.0 1.8 4.5 151 151 A 46 THR H A 43 ALA HA 1.0 1.8 5.5 152 152 A 46 THR H A 45 ASP HA 1.0 1.8 5.5 153 153 A 46 THR H A 46 THR HA 1.0 1.8 4.5 154 154 A 47 ILE H A 46 THR HA 1.0 1.8 4.5 155 155 A 47 ILE H A 47 ILE HA 1.0 1.8 4.5 156 156 A 48 GLN H A 45 ASP HA 1.0 1.8 5.5 157 157 A 48 GLN H A 46 THR HA 1.0 1.8 3.3 158 158 A 48 GLN H A 47 ILE HA 1.0 1.8 4.5 159 159 A 49 TYR HA A 49 TYR H 1.0 1.8 4.5 160 160 A 52 HIS H A 51 LYS HA 1.0 1.8 3.0 161 161 A 27 GLY H A 26 GLY HAy 1.0 1.8 4.5 162 162 A 27 GLY H A 27 GLY HAy 1.0 1.8 3.3 163 163 A 28 TRP H A 27 GLY HAy 1.0 1.8 4.5 164 164 A 30 THR H A 27 GLY HAy 1.0 1.8 5.5 165 165 A 41 GLY H A 41 GLY HAy 1.0 1.8 3.3 166 166 A 42 ALA H A 41 GLY HAy 1.0 1.8 3.3 167 167 A 21 GLY H A 21 GLY HAx 1.0 1.8 4.5 168 168 A 27 GLY H A 26 GLY HAx 1.0 1.8 4.5 169 169 A 27 GLY H A 27 GLY HAx 1.0 1.8 3.3 170 170 A 41 GLY H A 41 GLY HAx 1.0 1.8 3.3 171 171 A 42 ALA H A 41 GLY HAx 1.0 1.8 3.3 172 172 A 6 ALA H A 5 GLU HA 1.0 1.8 3.3 173 173 A 7 ASP H A 6 ALA HA 1.0 1.8 3.3 174 174 A 9 ARG H A 9 ARG HA 1.0 1.8 5.5 175 175 A 11 ILE H A 11 ILE HA 1.0 1.8 5.5 176 176 A 16 GLN H A 16 GLN HA 1.0 1.8 3.3 177 177 A 22 PHE HA A 23 SER H 1.0 1.8 4.5 178 178 A 23 SER HA A 24 ASP H 1.0 1.8 4.5 179 179 A 24 ASP H A 24 ASP HA 1.0 1.8 6.5 180 180 A 25 GLU H A 24 ASP HA 1.0 1.8 5.5 181 181 A 25 GLU H A 25 GLU HA 1.0 1.8 5.5 182 182 A 28 TRP H A 28 TRP HA 1.0 1.8 5.5 183 183 A 34 GLN HA A 35 THR H 1.0 1.8 4.5 184 184 A 34 GLN HA A 38 TYR H 1.0 1.8 5.5 185 185 A 35 THR H A 35 THR HA 1.0 1.8 4.5 186 186 A 36 LYS H A 35 THR HA 1.0 1.8 5.5 187 187 A 37 ASN H A 37 ASN HA 1.0 1.8 3.3 188 188 A 37 ASN HA A 38 TYR H 1.0 1.8 4.5 189 189 A 38 TYR HA A 38 TYR H 1.0 1.8 4.5 190 190 A 38 TYR HA A 39 ASP H 1.0 1.8 5.5 191 191 A 39 ASP H A 39 ASP HA 1.0 1.8 5.5 192 192 A 40 ILE H A 39 ASP HA 1.0 1.8 3.3 193 193 A 40 ILE H A 40 ILE HA 1.0 1.8 5.5 194 194 A 43 ALA H A 40 ILE HA 1.0 1.8 5.5 195 195 A 42 ALA H A 42 ALA HA 1.0 1.8 4.5 196 196 A 45 ASP H A 45 ASP HA 1.0 1.8 4.5 197 197 A 46 THR H A 46 THR HA 1.0 1.8 4.5 198 198 A 47 ILE H A 47 ILE HA 1.0 1.8 5.5 199 199 A 49 TYR HA A 50 SER H 1.0 1.8 5.5 200 200 A 52 HIS H A 52 HIS HA 1.0 1.8 5.5 201 201 A 27 GLY H A 27 GLY HAy 1.0 1.8 5.5 202 202 A 41 GLY H A 41 GLY HAy 1.0 1.8 5.5 203 203 A 27 GLY H A 27 GLY HAx 1.0 1.8 5.5 204 204 A 41 GLY H A 41 GLY HAx 1.0 1.8 4.5 stop_ save_ save_CNS/XPLOR_distance_constraints_6 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_6 _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 A 5 GLU H A 6 ALA HB% 1.0 1.8 7.5 2 2 A 7 ASP H A 6 ALA HB% 1.0 1.8 6.5 3 3 A 10 LEU HBy A 11 ILE H 1.0 1.8 8.5 4 4 A 10 LEU H A 11 ILE HB 1.0 1.8 6.5 5 5 A 10 LEU H A 11 ILE HG2% 1.0 1.8 6.5 6 6 A 12 GLU H A 11 ILE HB 1.0 1.8 6.5 7 7 A 13 SER H A 12 GLU HBy 1.0 1.8 6.5 8 8 A 13 SER H A 12 GLU HBx 1.0 1.8 5.3 9 9 A 14 LEU HDx% A 13 SER HBy 1.0 1.8 7.5 10 10 A 13 SER H A 14 LEU HBx 1.0 1.8 7.0 11 11 A 15 SER H A 16 GLN HBy 1.0 1.8 6.0 12 12 A 15 SER H A 16 GLN HGy 1.0 1.8 7.5 13 13 A 15 SER H A 16 GLN HGx 1.0 1.8 7.5 14 14 A 17 MET H A 18 LEU HDy% 1.0 1.8 7.5 15 15 A 22 PHE HBy A 23 SER H 1.0 1.8 7.5 16 16 A 22 PHE HZ A 23 SER HA 1.0 1.8 8.5 17 17 A 24 ASP H A 23 SER HBx 1.0 1.8 7.5 18 18 A 27 GLY H A 28 TRP HD1 1.0 1.8 6.5 19 19 A 29 LEU H A 28 TRP HBx 1.0 1.8 8.5 20 20 A 29 LEU H A 28 TRP HD1 1.0 1.8 8.5 21 21 A 28 TRP HE1 A 29 LEU HBy 1.0 1.8 7.5 22 22 A 28 TRP HE1 A 29 LEU HBx 1.0 1.8 7.5 23 23 A 28 TRP HE1 A 29 LEU HDx% 1.0 1.8 6.5 24 24 A 29 LEU HDy% A 28 TRP HE1 1.0 1.8 6.5 25 25 A 29 LEU H A 28 TRP HE1 1.0 1.8 6.5 26 26 A 29 LEU HDy% A 28 TRP HE3 1.0 1.8 8.5 27 27 A 29 LEU H A 28 TRP HE3 1.0 1.8 8.5 28 28 A 28 TRP HH2 A 29 LEU HDx% 1.0 1.8 8.5 29 29 A 29 LEU HDy% A 28 TRP HH2 1.0 1.8 8.5 30 30 A 28 TRP H A 29 LEU HDx% 1.0 1.8 7.5 31 31 A 29 LEU HDy% A 28 TRP H 1.0 1.8 7.5 32 32 A 28 TRP HZ2 A 29 LEU HBy 1.0 1.8 8.5 33 33 A 28 TRP HZ2 A 29 LEU HDx% 1.0 1.8 8.5 34 34 A 29 LEU H A 30 THR HB 1.0 1.8 7.5 35 35 A 31 ARG H A 32 LEU HDx% 1.0 1.8 7.5 36 36 A 33 LEU HDx% A 32 LEU H 1.0 1.8 7.5 37 37 A 32 LEU H A 33 LEU HDy% 1.0 1.8 7.5 38 38 A 34 GLN HA A 35 THR HA 1.0 1.8 7.5 39 39 A 35 THR H A 34 GLN HBy 1.0 1.8 6.5 40 40 A 34 GLN H A 35 THR HB 1.0 1.8 7.5 41 41 A 35 THR HB A 36 LYS HBy 1.0 1.8 8.5 42 42 A 36 LYS H A 35 THR HB 1.0 1.8 7.5 43 43 A 37 ASN HBy A 36 LYS H 1.0 1.8 7.0 44 44 A 37 ASN HBx A 36 LYS H 1.0 1.8 7.0 45 45 A 39 ASP H A 40 ILE HG2% 1.0 1.8 7.5 46 46 A 41 GLY H A 42 ALA HB% 1.0 1.8 6.5 47 47 A 43 ALA H A 42 ALA HB% 1.0 1.8 6.5 48 48 A 42 ALA H A 43 ALA HB% 1.0 1.8 6.5 49 49 A 43 ALA H A 44 LEU HBx 1.0 1.8 6.0 50 50 A 44 LEU HDx% A 43 ALA H 1.0 1.8 7.5 51 51 A 45 ASP H A 46 THR HB 1.0 1.8 7.5 52 52 A 46 THR H A 47 ILE HG1y 1.0 1.8 7.5 53 53 A 46 THR H A 47 ILE HG2% 1.0 1.8 7.5 54 54 A 3 PRO HA A 4 PRO HDy 1.0 1.8 5.3 55 55 A 6 ALA H A 5 GLU HG2 1.0 1.8 5.3 56 56 A 7 ASP H A 6 ALA HB% 1.0 1.8 5.3 57 57 A 9 ARG H A 8 PRO HBy 1.0 1.8 7.0 58 58 A 9 ARG H A 8 PRO HDy 1.0 1.8 7.5 59 59 A 9 ARG H A 8 PRO HG2 1.0 1.8 6.5 60 60 A 10 LEU H A 9 ARG HG2 1.0 1.8 6.5 61 61 A 12 GLU H A 11 ILE HB 1.0 1.8 5.3 62 62 A 12 GLU H A 11 ILE HD1% 1.0 1.8 6.5 63 63 A 12 GLU H A 11 ILE HG1y 1.0 1.8 6.5 64 64 A 12 GLU H A 11 ILE HG1x 1.0 1.8 6.5 65 65 A 12 GLU H A 11 ILE HG2% 1.0 1.8 5.3 66 66 A 13 SER H A 12 GLU HBy 1.0 1.8 6.0 67 67 A 13 SER H A 12 GLU HBx 1.0 1.8 6.0 68 68 A 13 SER H A 12 GLU HGx 1.0 1.8 7.5 69 69 A 15 SER H A 14 LEU HBy 1.0 1.8 6.0 70 70 A 15 SER H A 14 LEU HBx 1.0 1.8 4.8 71 71 A 14 LEU HDx% A 15 SER H 1.0 1.8 6.5 72 72 A 15 SER H A 14 LEU HDy% 1.0 1.8 5.3 73 73 A 17 MET H A 16 GLN HBy 1.0 1.8 6.0 74 74 A 17 MET H A 16 GLN HGy 1.0 1.8 6.5 75 75 A 18 LEU H A 17 MET HBy 1.0 1.8 7.0 76 76 A 18 LEU HDy% A 19 SER HBy 1.0 1.8 6.5 77 77 A 19 SER H A 18 LEU HBy 1.0 1.8 4.8 78 78 A 19 SER H A 18 LEU HBx 1.0 1.8 6.0 79 79 A 19 SER H A 18 LEU HDx% 1.0 1.8 6.5 80 80 A 20 MET H A 19 SER HBy 1.0 1.8 7.0 81 81 A 21 GLY H A 20 MET HBy 1.0 1.8 7.0 82 82 A 20 MET HBx A 21 GLY H 1.0 1.8 7.0 83 83 A 20 MET HGx A 21 GLY H 1.0 1.8 7.5 84 84 A 22 PHE HBy A 23 SER H 1.0 1.8 6.0 85 85 A 22 PHE HBy A 23 SER H 1.0 1.8 6.0 86 86 A 22 PHE HZ A 23 SER H 1.0 1.8 7.5 87 87 A 24 ASP H A 23 SER HBy 1.0 1.8 6.0 88 88 A 24 ASP H A 23 SER HBx 1.0 1.8 6.0 89 89 A 25 GLU H A 24 ASP HBx 1.0 1.8 6.0 90 90 A 29 LEU HDy% A 28 TRP HH2 1.0 1.8 7.5 91 91 A 29 LEU HDy% A 28 TRP HZ3 1.0 1.8 7.5 92 92 A 28 TRP HZ3 A 29 LEU HG 1.0 1.8 6.5 93 93 A 29 LEU H A 28 TRP HD1 1.0 1.8 7.5 94 94 A 30 THR H A 29 LEU HBy 1.0 1.8 7.0 95 95 A 29 LEU HDy% A 30 THR H 1.0 1.8 7.5 96 96 A 31 ARG H A 30 THR HG2% 1.0 1.8 6.5 97 97 A 31 ARG H A 32 LEU HDy% 1.0 1.8 7.5 98 98 A 32 LEU H A 31 ARG HBy 1.0 1.8 7.0 99 99 A 33 LEU H A 32 LEU HBy 1.0 1.8 6.0 100 100 A 33 LEU H A 32 LEU HBx 1.0 1.8 7.0 101 101 A 33 LEU H A 32 LEU HDx% 1.0 1.8 6.5 102 102 A 34 GLN HA A 33 LEU HG 1.0 1.8 7.5 103 103 A 33 LEU HA A 34 GLN HE2x 1.0 1.8 6.5 104 104 A 34 GLN H A 33 LEU HDx% 1.0 1.8 7.5 105 105 A 34 GLN H A 33 LEU HDy% 1.0 1.8 7.5 106 106 A 35 THR H A 34 GLN HBy 1.0 1.8 6.0 107 107 A 35 THR H A 34 GLN HBx 1.0 1.8 6.0 108 108 A 34 GLN HGy A 35 THR H 1.0 1.8 7.5 109 109 A 35 THR H A 34 GLN HGx 1.0 1.8 7.5 110 110 A 36 LYS H A 35 THR HB 1.0 1.8 7.5 111 111 A 36 LYS H A 35 THR HG2% 1.0 1.8 7.5 112 112 A 37 ASN H A 36 LYS HBy 1.0 1.8 6.0 113 113 A 37 ASN H A 36 LYS HG2 1.0 1.8 7.5 114 114 A 37 ASN HBx A 38 TYR H 1.0 1.8 6.0 115 115 A 40 ILE H A 39 ASP HBy 1.0 1.8 6.0 116 116 A 40 ILE H A 39 ASP HBx 1.0 1.8 6.0 117 117 A 41 GLY HAx A 40 ILE HD1% 1.0 1.8 7.5 118 118 A 41 GLY H A 40 ILE HB 1.0 1.8 6.5 119 119 A 41 GLY H A 40 ILE HD1% 1.0 1.8 5.3 120 120 A 41 GLY H A 40 ILE HG1y 1.0 1.8 7.5 121 121 A 41 GLY H A 40 ILE HG1x 1.0 1.8 6.5 122 122 A 41 GLY H A 40 ILE HG2% 1.0 1.8 5.3 123 123 A 43 ALA H A 42 ALA HB% 1.0 1.8 5.3 124 124 A 44 LEU H A 43 ALA HB% 1.0 1.8 6.5 125 125 A 45 ASP H A 44 LEU HBy 1.0 1.8 7.0 126 126 A 45 ASP H A 44 LEU HBx 1.0 1.8 7.0 127 127 A 44 LEU HDx% A 45 ASP H 1.0 1.8 6.5 128 128 A 45 ASP H A 44 LEU HDy% 1.0 1.8 7.5 129 129 A 45 ASP HBy A 46 THR H 1.0 1.8 7.0 130 130 A 45 ASP HBx A 46 THR H 1.0 1.8 7.0 131 131 A 47 ILE H A 46 THR HB 1.0 1.8 7.5 132 132 A 47 ILE H A 46 THR HG2% 1.0 1.8 7.5 133 133 A 47 ILE HG2% A 48 GLN HE2y 1.0 1.8 6.5 134 134 A 48 GLN H A 47 ILE HG1x 1.0 1.8 7.5 135 135 A 48 GLN H A 47 ILE HG2% 1.0 1.8 6.5 136 136 A 49 TYR H A 48 GLN HBy 1.0 1.8 6.0 137 137 A 49 TYR H A 48 GLN HG2 1.0 1.8 7.5 138 138 A 52 HIS H A 51 LYS HBy 1.0 1.8 6.0 139 139 A 52 HIS H A 51 LYS HBx 1.0 1.8 6.0 140 140 A 52 HIS H A 51 LYS HG2 1.0 1.8 6.5 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _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 A 2 SER HA A 2 SER HBy 1.0 1.8 6.0 2 2 A 2 SER HA A 2 SER HBx 1.0 1.8 4.8 3 3 A 3 PRO HA A 3 PRO HBy 1.0 1.8 6.0 4 4 A 3 PRO HA A 3 PRO HBx 1.0 1.8 7.0 5 5 A 3 PRO HA A 3 PRO HDy 1.0 1.8 5.3 6 6 A 3 PRO HA A 3 PRO HBy 1.0 1.8 6.5 7 7 A 3 PRO HA A 3 PRO HDy 1.0 1.8 5.3 8 8 A 3 PRO HDy A 3 PRO HG2 1.0 1.8 5.3 9 9 A 3 PRO HA A 3 PRO HDx 1.0 1.8 6.5 10 10 A 3 PRO HG2 A 3 PRO HDx 1.0 1.8 6.5 11 11 A 3 PRO HA A 3 PRO HG2 1.0 1.8 6.5 12 12 A 4 PRO HA A 4 PRO HBy 1.0 1.8 4.8 13 13 A 4 PRO HA A 4 PRO HBx 1.0 1.8 6.0 14 14 A 4 PRO HA A 4 PRO HG2 1.0 1.8 7.5 15 15 A 4 PRO HA A 4 PRO HBy 1.0 1.8 6.5 16 16 A 4 PRO HA A 4 PRO HBx 1.0 1.8 6.5 17 17 A 4 PRO HG2 A 4 PRO HDx 1.0 1.8 5.3 18 18 A 5 GLU HA A 5 GLU HG2 1.0 1.8 6.5 19 19 A 5 GLU HA A 5 GLU HG2 1.0 1.8 6.5 20 20 A 5 GLU H A 5 GLU HBy 1.0 1.8 4.5 21 21 A 5 GLU H A 5 GLU HG2 1.0 1.8 5.3 22 22 A 6 ALA HA A 6 ALA HB% 1.0 1.8 5.3 23 23 A 6 ALA HA A 6 ALA HB% 1.0 1.8 5.3 24 24 A 6 ALA H A 6 ALA HB% 1.0 1.8 5.3 25 25 A 6 ALA H A 6 ALA HB% 1.0 1.8 5.0 26 26 A 7 ASP HA A 7 ASP HBy 1.0 1.8 6.0 27 27 A 7 ASP HA A 7 ASP HBy 1.0 1.8 6.5 28 28 A 7 ASP H A 7 ASP HBy 1.0 1.8 7.5 29 29 A 7 ASP H A 7 ASP HBy 1.0 1.8 4.8 30 30 A 8 PRO HA A 8 PRO HBy 1.0 1.8 4.8 31 31 A 8 PRO HA A 8 PRO HBx 1.0 1.8 4.8 32 32 A 8 PRO HA A 8 PRO HBy 1.0 1.8 5.3 33 33 A 8 PRO HA A 8 PRO HBx 1.0 1.8 6.5 34 34 A 8 PRO HDx A 8 PRO HG2 1.0 1.8 5.3 35 35 A 9 ARG HBy A 9 ARG HA 1.0 1.8 7.0 36 36 A 9 ARG HA A 9 ARG HBx 1.0 1.8 7.0 37 37 A 9 ARG HA A 9 ARG HG2 1.0 1.8 6.5 38 38 A 9 ARG HA A 9 ARG HBx 1.0 1.8 7.5 39 39 A 9 ARG HBx A 9 ARG HDx 1.0 1.8 7.5 40 40 A 9 ARG H A 9 ARG HBx 1.0 1.8 7.5 41 41 A 9 ARG HDx A 9 ARG HDy 1.0 1.8 5.3 42 42 A 9 ARG HG2 A 9 ARG HDy 1.0 1.8 6.5 43 43 A 9 ARG HG2 A 9 ARG HDx 1.0 1.8 6.5 44 44 A 9 ARG HG2 A 9 ARG HE 1.0 1.8 7.5 45 45 A 9 ARG H A 9 ARG HBy 1.0 1.8 6.0 46 46 A 9 ARG H A 9 ARG HBx 1.0 1.8 6.0 47 47 A 9 ARG H A 9 ARG HG2 1.0 1.8 6.5 48 48 A 10 LEU HA A 10 LEU HDy% 1.0 1.8 6.5 49 49 A 10 LEU HA A 10 LEU HBy 1.0 1.8 7.5 50 50 A 10 LEU HBy A 10 LEU HBx 1.0 1.8 6.5 51 51 A 10 LEU HBy A 10 LEU HDx% 1.0 1.8 6.5 52 52 A 10 LEU HBy A 10 LEU H 1.0 1.8 7.5 53 53 A 10 LEU HBy A 10 LEU HBx 1.0 1.8 6.5 54 54 A 10 LEU HDx% A 10 LEU HBx 1.0 1.8 6.5 55 55 A 10 LEU H A 10 LEU HBx 1.0 1.8 7.5 56 56 A 10 LEU HA A 10 LEU HDy% 1.0 1.8 5.3 57 57 A 10 LEU HDy% A 10 LEU H 1.0 1.8 6.5 58 58 A 10 LEU H A 10 LEU HBx 1.0 1.8 6.0 59 59 A 10 LEU HDy% A 10 LEU H 1.0 1.8 5.3 60 60 A 10 LEU H A 10 LEU HG 1.0 1.8 7.5 61 61 A 11 ILE HA A 11 ILE HD1% 1.0 1.8 6.5 62 62 A 11 ILE HA A 11 ILE HG1y 1.0 1.8 6.5 63 63 A 11 ILE HA A 11 ILE HG1x 1.0 1.8 6.5 64 64 A 11 ILE HA A 11 ILE HG2% 1.0 1.8 5.3 65 65 A 11 ILE H A 11 ILE HB 1.0 1.8 6.5 66 66 A 11 ILE HA A 11 ILE HD1% 1.0 1.8 6.5 67 67 A 11 ILE HD1% A 11 ILE HB 1.0 1.8 6.5 68 68 A 11 ILE HD1% A 11 ILE HG1y 1.0 1.8 5.3 69 69 A 11 ILE HD1% A 11 ILE HG1x 1.0 1.8 5.3 70 70 A 11 ILE H A 11 ILE HD1% 1.0 1.8 7.5 71 71 A 11 ILE HA A 11 ILE HG1y 1.0 1.8 7.5 72 72 A 11 ILE HD1% A 11 ILE HG1y 1.0 1.8 5.3 73 73 A 11 ILE HG1y A 11 ILE HG1x 1.0 1.8 5.3 74 74 A 11 ILE H A 11 ILE HG1y 1.0 1.8 7.5 75 75 A 11 ILE HA A 11 ILE HG1x 1.0 1.8 7.5 76 76 A 11 ILE HD1% A 11 ILE HG1x 1.0 1.8 6.5 77 77 A 11 ILE HG1y A 11 ILE HG1x 1.0 1.8 5.3 78 78 A 11 ILE H A 11 ILE HG1x 1.0 1.8 7.5 79 79 A 11 ILE HA A 11 ILE HG2% 1.0 1.8 5.3 80 80 A 11 ILE H A 11 ILE HB 1.0 1.8 6.5 81 81 A 11 ILE H A 11 ILE HD1% 1.0 1.8 6.5 82 82 A 11 ILE H A 11 ILE HG1y 1.0 1.8 6.5 83 83 A 11 ILE H A 11 ILE HG1x 1.0 1.8 6.5 84 84 A 11 ILE H A 11 ILE HG2% 1.0 1.8 6.5 85 85 A 12 GLU H A 12 GLU HGx 1.0 1.8 6.5 86 86 A 13 SER HA A 13 SER HBy 1.0 1.8 7.0 87 87 A 13 SER HA A 13 SER HBy 1.0 1.8 7.5 88 88 A 13 SER H A 13 SER HBy 1.0 1.8 6.0 89 89 A 14 LEU HA A 14 LEU HBy 1.0 1.8 7.0 90 90 A 14 LEU HA A 14 LEU HBx 1.0 1.8 6.0 91 91 A 14 LEU HDx% A 14 LEU HA 1.0 1.8 5.3 92 92 A 14 LEU HBy A 14 LEU HBx 1.0 1.8 5.3 93 93 A 14 LEU HBy A 14 LEU HDy% 1.0 1.8 6.5 94 94 A 14 LEU H A 14 LEU HBy 1.0 1.8 7.5 95 95 A 14 LEU HBy A 14 LEU HBx 1.0 1.8 5.3 96 96 A 14 LEU HDx% A 14 LEU HBx 1.0 1.8 6.5 97 97 A 14 LEU H A 14 LEU HBx 1.0 1.8 7.5 98 98 A 14 LEU H A 14 LEU HBy 1.0 1.8 4.8 99 99 A 14 LEU H A 14 LEU HBx 1.0 1.8 4.8 100 100 A 14 LEU HDx% A 14 LEU H 1.0 1.8 5.3 101 101 A 14 LEU H A 14 LEU HDy% 1.0 1.8 5.3 102 102 A 15 SER H A 15 SER HBy 1.0 1.8 4.5 103 103 A 16 GLN HA A 16 GLN HGy 1.0 1.8 5.3 104 104 A 16 GLN H A 16 GLN HBy 1.0 1.8 6.5 105 105 A 16 GLN HGy A 16 GLN HE2x 1.0 1.8 6.5 106 106 A 16 GLN HE2x A 16 GLN HGx 1.0 1.8 7.5 107 107 A 16 GLN HE2x A 16 GLN HE2y 1.0 1.8 5.0 108 108 A 16 GLN HGy A 16 GLN HE2y 1.0 1.8 5.3 109 109 A 16 GLN HGx A 16 GLN HE2y 1.0 1.8 6.5 110 110 A 16 GLN HA A 16 GLN HGy 1.0 1.8 6.5 111 111 A 16 GLN HBy A 16 GLN HGx 1.0 1.8 6.5 112 112 A 16 GLN H A 16 GLN HGx 1.0 1.8 7.5 113 113 A 16 GLN H A 16 GLN HBy 1.0 1.8 4.8 114 114 A 16 GLN H A 16 GLN HGy 1.0 1.8 5.3 115 115 A 16 GLN H A 16 GLN HGx 1.0 1.8 6.5 116 116 A 17 MET HGy A 17 MET H 1.0 1.8 7.5 117 117 A 17 MET HGy A 17 MET HGx 1.0 1.8 5.3 118 118 A 17 MET H A 17 MET HBy 1.0 1.8 7.0 119 119 A 17 MET HGy A 17 MET H 1.0 1.8 6.5 120 120 A 17 MET HGx A 17 MET H 1.0 1.8 7.5 121 121 A 18 LEU HA A 18 LEU HBy 1.0 1.8 6.0 122 122 A 18 LEU HA A 18 LEU HBx 1.0 1.8 6.0 123 123 A 18 LEU HA A 18 LEU HDx% 1.0 1.8 5.3 124 124 A 18 LEU HBy A 18 LEU HBx 1.0 1.8 5.3 125 125 A 18 LEU HBy A 18 LEU HDx% 1.0 1.8 6.5 126 126 A 18 LEU HA A 18 LEU HBx 1.0 1.8 7.5 127 127 A 18 LEU HBy A 18 LEU HBx 1.0 1.8 5.3 128 128 A 18 LEU HBx A 18 LEU HDx% 1.0 1.8 5.3 129 129 A 18 LEU H A 18 LEU HBx 1.0 1.8 7.5 130 130 A 18 LEU HA A 18 LEU HDx% 1.0 1.8 5.3 131 131 A 18 LEU HBy A 18 LEU HDy% 1.0 1.8 5.0 132 132 A 18 LEU H A 18 LEU HDy% 1.0 1.8 6.5 133 133 A 18 LEU HDx% A 18 LEU HG 1.0 1.8 5.3 134 134 A 18 LEU H A 18 LEU HG 1.0 1.8 6.5 135 135 A 18 LEU H A 18 LEU HBy 1.0 1.8 4.8 136 136 A 18 LEU H A 18 LEU HBx 1.0 1.8 6.0 137 137 A 18 LEU H A 18 LEU HDx% 1.0 1.8 5.3 138 138 A 19 SER HA A 19 SER HBy 1.0 1.8 4.8 139 139 A 19 SER H A 19 SER HBy 1.0 1.8 5.3 140 140 A 19 SER H A 19 SER HBy 1.0 1.8 4.8 141 141 A 20 MET HGx A 20 MET HGy 1.0 1.8 5.3 142 142 A 20 MET HGx A 20 MET HGy 1.0 1.8 6.5 143 143 A 20 MET H A 20 MET HBy 1.0 1.8 6.0 144 144 A 20 MET H A 20 MET HBx 1.0 1.8 7.0 145 145 A 20 MET H A 20 MET HGy 1.0 1.8 7.5 146 146 A 20 MET HGx A 20 MET H 1.0 1.8 7.5 147 147 A 22 PHE HA A 22 PHE HBy 1.0 1.8 7.0 148 148 A 22 PHE HA A 22 PHE HBy 1.0 1.8 7.0 149 149 A 22 PHE HA A 22 PHE HBy 1.0 1.8 7.5 150 150 A 22 PHE HA A 22 PHE HBy 1.0 1.8 7.5 151 151 A 22 PHE HBy A 22 PHE H 1.0 1.8 7.0 152 152 A 22 PHE HBy A 22 PHE H 1.0 1.8 7.0 153 153 A 23 SER HA A 23 SER HBy 1.0 1.8 6.0 154 154 A 23 SER HA A 23 SER HBx 1.0 1.8 6.0 155 155 A 23 SER HA A 23 SER HBy 1.0 1.8 6.5 156 156 A 23 SER HA A 23 SER HBx 1.0 1.8 6.5 157 157 A 23 SER HBy A 23 SER HBx 1.0 1.8 5.0 158 158 A 23 SER H A 23 SER HBy 1.0 1.8 6.0 159 159 A 23 SER H A 23 SER HBx 1.0 1.8 6.0 160 160 A 24 ASP HA A 24 ASP HBy 1.0 1.8 7.0 161 161 A 24 ASP HA A 24 ASP HBx 1.0 1.8 7.0 162 162 A 24 ASP HBy A 24 ASP HBx 1.0 1.8 6.5 163 163 A 24 ASP HBy A 24 ASP HBx 1.0 1.8 6.5 164 164 A 24 ASP H A 24 ASP HBx 1.0 1.8 7.5 165 165 A 24 ASP H A 24 ASP HBy 1.0 1.8 7.0 166 166 A 24 ASP H A 24 ASP HBx 1.0 1.8 7.0 167 167 A 25 GLU HA A 25 GLU HBy 1.0 1.8 4.8 168 168 A 25 GLU HA A 25 GLU HBy 1.0 1.8 6.5 169 169 A 25 GLU H A 25 GLU HBy 1.0 1.8 6.5 170 170 A 25 GLU H A 25 GLU HBy 1.0 1.8 4.8 171 171 A 25 GLU H A 25 GLU HGy 1.0 1.8 6.5 172 172 A 26 GLY HAy A 26 GLY HAx 1.0 1.8 5.3 173 173 A 26 GLY HAy A 26 GLY HAx 1.0 1.8 6.5 174 174 A 28 TRP HA A 28 TRP HBy 1.0 1.8 6.0 175 175 A 28 TRP HA A 28 TRP HBx 1.0 1.8 6.0 176 176 A 28 TRP HA A 28 TRP HBy 1.0 1.8 7.5 177 177 A 28 TRP HBy A 28 TRP HBx 1.0 1.8 6.5 178 178 A 28 TRP HBy A 28 TRP HD1 1.0 1.8 8.5 179 179 A 28 TRP H A 28 TRP HBy 1.0 1.8 7.5 180 180 A 28 TRP HA A 28 TRP HBx 1.0 1.8 7.5 181 181 A 28 TRP HBy A 28 TRP HBx 1.0 1.8 6.5 182 182 A 28 TRP HBx A 28 TRP HD1 1.0 1.8 8.5 183 183 A 28 TRP HBx A 28 TRP HE3 1.0 1.8 8.5 184 184 A 28 TRP H A 28 TRP HBx 1.0 1.8 8.5 185 185 A 28 TRP HA A 28 TRP HD1 1.0 1.8 8.5 186 186 A 28 TRP HBy A 28 TRP HD1 1.0 1.8 8.5 187 187 A 28 TRP HBx A 28 TRP HD1 1.0 1.8 8.5 188 188 A 28 TRP HD1 A 28 TRP HE1 1.0 1.8 6.5 189 189 A 28 TRP H A 28 TRP HD1 1.0 1.8 7.5 190 190 A 28 TRP HA A 28 TRP HE1 1.0 1.8 7.5 191 191 A 28 TRP HBy A 28 TRP HE1 1.0 1.8 7.5 192 192 A 28 TRP HD1 A 28 TRP HE1 1.0 1.8 5.3 193 193 A 28 TRP HH2 A 28 TRP HE1 1.0 1.8 7.5 194 194 A 28 TRP H A 28 TRP HE1 1.0 1.8 7.5 195 195 A 28 TRP HE1 A 28 TRP HZ2 1.0 1.8 5.3 196 196 A 28 TRP HBy A 28 TRP HE3 1.0 1.8 8.5 197 197 A 28 TRP HBx A 28 TRP HE3 1.0 1.8 8.5 198 198 A 28 TRP HE3 A 28 TRP HZ3 1.0 1.8 7.5 199 199 A 28 TRP HH2 A 28 TRP HZ2 1.0 1.8 7.5 200 200 A 28 TRP H A 28 TRP HBy 1.0 1.8 6.0 201 201 A 28 TRP H A 28 TRP HBx 1.0 1.8 6.0 202 202 A 28 TRP H A 28 TRP HD1 1.0 1.8 6.5 203 203 A 28 TRP HE1 A 28 TRP HZ2 1.0 1.8 7.5 204 204 A 28 TRP HH2 A 28 TRP HZ2 1.0 1.8 6.5 205 205 A 28 TRP HZ2 A 28 TRP HZ3 1.0 1.8 8.5 206 206 A 29 LEU HA A 29 LEU HBy 1.0 1.8 7.0 207 207 A 29 LEU HA A 29 LEU HBx 1.0 1.8 7.0 208 208 A 29 LEU HDy% A 29 LEU HA 1.0 1.8 6.5 209 209 A 29 LEU HA A 29 LEU HG 1.0 1.8 7.5 210 210 A 29 LEU HBy A 29 LEU HBx 1.0 1.8 7.5 211 211 A 29 LEU HBy A 29 LEU HDx% 1.0 1.8 7.5 212 212 A 29 LEU HBy A 29 LEU HBx 1.0 1.8 7.5 213 213 A 29 LEU HBx A 29 LEU HDx% 1.0 1.8 7.5 214 214 A 29 LEU HBy A 29 LEU HDx% 1.0 1.8 6.5 215 215 A 29 LEU HG A 29 LEU HDx% 1.0 1.8 5.3 216 216 A 29 LEU HDy% A 29 LEU HA 1.0 1.8 5.3 217 217 A 29 LEU HDy% A 29 LEU HBy 1.0 1.8 6.5 218 218 A 29 LEU HDy% A 29 LEU HG 1.0 1.8 5.3 219 219 A 29 LEU HG A 29 LEU HDx% 1.0 1.8 5.3 220 220 A 29 LEU HDy% A 29 LEU HG 1.0 1.8 5.3 221 221 A 29 LEU HDy% A 29 LEU HG 1.0 1.8 5.3 222 222 A 29 LEU H A 29 LEU HBy 1.0 1.8 7.0 223 223 A 29 LEU H A 29 LEU HBx 1.0 1.8 6.0 224 224 A 29 LEU H A 29 LEU HDx% 1.0 1.8 6.5 225 225 A 29 LEU HDy% A 29 LEU H 1.0 1.8 6.5 226 226 A 29 LEU H A 29 LEU HG 1.0 1.8 7.5 227 227 A 30 THR HA A 30 THR HG2% 1.0 1.8 5.3 228 228 A 30 THR HG2% A 30 THR HB 1.0 1.8 6.5 229 229 A 30 THR HG2% A 30 THR HB 1.0 1.8 6.5 230 230 A 30 THR H A 30 THR HB 1.0 1.8 6.5 231 231 A 30 THR H A 30 THR HG2% 1.0 1.8 5.3 232 232 A 31 ARG H A 31 ARG HBy 1.0 1.8 6.5 233 233 A 31 ARG HBy A 31 ARG HDy 1.0 1.8 6.5 234 234 A 31 ARG HDy A 31 ARG HBx 1.0 1.8 7.5 235 235 A 31 ARG HDy A 31 ARG HDx 1.0 1.8 5.0 236 236 A 31 ARG HDy A 31 ARG HG2 1.0 1.8 6.5 237 237 A 31 ARG HBy A 31 ARG HDx 1.0 1.8 6.5 238 238 A 31 ARG HBx A 31 ARG HDx 1.0 1.8 6.5 239 239 A 31 ARG HDx A 31 ARG HG2 1.0 1.8 6.5 240 240 A 31 ARG H A 31 ARG HBy 1.0 1.8 6.0 241 241 A 31 ARG H A 31 ARG HBx 1.0 1.8 6.0 242 242 A 31 ARG H A 31 ARG HG2 1.0 1.8 7.5 243 243 A 32 LEU HA A 32 LEU HDx% 1.0 1.8 5.3 244 244 A 32 LEU HDx% A 32 LEU HBx 1.0 1.8 6.5 245 245 A 32 LEU H A 32 LEU HBx 1.0 1.8 7.5 246 246 A 32 LEU HA A 32 LEU HDx% 1.0 1.8 5.3 247 247 A 32 LEU H A 32 LEU HBy 1.0 1.8 6.0 248 248 A 32 LEU H A 32 LEU HBx 1.0 1.8 6.0 249 249 A 32 LEU H A 32 LEU HDx% 1.0 1.8 5.3 250 250 A 32 LEU H A 32 LEU HG 1.0 1.8 7.5 251 251 A 33 LEU HA A 33 LEU HBy 1.0 1.8 6.0 252 252 A 33 LEU HDx% A 33 LEU HA 1.0 1.8 5.3 253 253 A 33 LEU HDx% A 33 LEU HBy 1.0 1.8 7.5 254 254 A 33 LEU HBy A 33 LEU HBx 1.0 1.8 6.5 255 255 A 33 LEU HDx% A 33 LEU HA 1.0 1.8 5.3 256 256 A 33 LEU HDx% A 33 LEU HBx 1.0 1.8 7.5 257 257 A 33 LEU HDx% A 33 LEU H 1.0 1.8 7.5 258 258 A 33 LEU HA A 33 LEU HDy% 1.0 1.8 6.5 259 259 A 33 LEU HBx A 33 LEU HDy% 1.0 1.8 5.3 260 260 A 33 LEU HDy% A 33 LEU HG 1.0 1.8 5.3 261 261 A 33 LEU HDy% A 33 LEU HG 1.0 1.8 5.3 262 262 A 33 LEU HDx% A 33 LEU H 1.0 1.8 6.5 263 263 A 33 LEU H A 33 LEU HDy% 1.0 1.8 6.5 264 264 A 34 GLN HA A 34 GLN HBy 1.0 1.8 6.0 265 265 A 34 GLN HA A 34 GLN HBx 1.0 1.8 6.0 266 266 A 34 GLN HA A 34 GLN HGy 1.0 1.8 7.5 267 267 A 34 GLN HA A 34 GLN HGx 1.0 1.8 6.5 268 268 A 34 GLN H A 34 GLN HBx 1.0 1.8 6.5 269 269 A 34 GLN HBy A 34 GLN HE2x 1.0 1.8 7.5 270 270 A 34 GLN HE2x A 34 GLN HE2y 1.0 1.8 5.0 271 271 A 34 GLN HGy A 34 GLN HE2x 1.0 1.8 6.5 272 272 A 34 GLN HBy A 34 GLN HE2y 1.0 1.8 7.5 273 273 A 34 GLN HBx A 34 GLN HE2y 1.0 1.8 7.5 274 274 A 34 GLN HE2x A 34 GLN HE2y 1.0 1.8 5.0 275 275 A 34 GLN HGy A 34 GLN HE2y 1.0 1.8 6.5 276 276 A 34 GLN HGx A 34 GLN HE2y 1.0 1.8 5.3 277 277 A 34 GLN HA A 34 GLN HGy 1.0 1.8 7.5 278 278 A 34 GLN HGy A 34 GLN HBx 1.0 1.8 7.5 279 279 A 34 GLN HGy A 34 GLN HE2y 1.0 1.8 7.5 280 280 A 34 GLN HGy A 34 GLN HGx 1.0 1.8 5.3 281 281 A 34 GLN HGy A 34 GLN H 1.0 1.8 7.5 282 282 A 34 GLN HA A 34 GLN HGx 1.0 1.8 7.5 283 283 A 34 GLN HGy A 34 GLN HGx 1.0 1.8 5.3 284 284 A 34 GLN H A 34 GLN HBy 1.0 1.8 6.0 285 285 A 34 GLN H A 34 GLN HBx 1.0 1.8 6.0 286 286 A 34 GLN HGy A 34 GLN H 1.0 1.8 7.5 287 287 A 34 GLN H A 34 GLN HGx 1.0 1.8 6.5 288 288 A 35 THR HA A 35 THR HB 1.0 1.8 5.3 289 289 A 35 THR HB A 35 THR HG2% 1.0 1.8 5.3 290 290 A 35 THR H A 35 THR HB 1.0 1.8 6.5 291 291 A 35 THR HA A 35 THR HG2% 1.0 1.8 5.3 292 292 A 35 THR HB A 35 THR HG2% 1.0 1.8 5.3 293 293 A 35 THR H A 35 THR HB 1.0 1.8 6.5 294 294 A 35 THR H A 35 THR HG2% 1.0 1.8 5.3 295 295 A 36 LYS HA A 36 LYS HBy 1.0 1.8 4.8 296 296 A 36 LYS HA A 36 LYS HBx 1.0 1.8 7.0 297 297 A 36 LYS HDy A 36 LYS HA 1.0 1.8 6.5 298 298 A 36 LYS HBy A 36 LYS HBx 1.0 1.8 5.3 299 299 A 36 LYS HDy A 36 LYS HEx 1.0 1.8 7.5 300 300 A 36 LYS HDx A 36 LYS HEx 1.0 1.8 6.5 301 301 A 36 LYS HEx A 36 LYS HG2 1.0 1.8 7.5 302 302 A 36 LYS H A 36 LYS HBy 1.0 1.8 6.0 303 303 A 36 LYS H A 36 LYS HBx 1.0 1.8 7.0 304 304 A 36 LYS H A 36 LYS HG2 1.0 1.8 7.5 305 305 A 37 ASN HBy A 37 ASN HA 1.0 1.8 6.0 306 306 A 37 ASN HA A 37 ASN HBx 1.0 1.8 6.0 307 307 A 37 ASN HBy A 37 ASN HA 1.0 1.8 6.5 308 308 A 37 ASN HBy A 37 ASN HBx 1.0 1.8 5.0 309 309 A 37 ASN HBy A 37 ASN H 1.0 1.8 7.5 310 310 A 37 ASN HA A 37 ASN HBx 1.0 1.8 6.5 311 311 A 37 ASN HBy A 37 ASN HBx 1.0 1.8 5.0 312 312 A 37 ASN H A 37 ASN HBx 1.0 1.8 7.5 313 313 A 37 ASN HBy A 37 ASN HD2x 1.0 1.8 5.3 314 314 A 37 ASN HBx A 37 ASN HD2x 1.0 1.8 5.3 315 315 A 37 ASN HD2x A 37 ASN HD2y 1.0 1.8 5.0 316 316 A 37 ASN HA A 37 ASN HD2y 1.0 1.8 7.5 317 317 A 37 ASN HBy A 37 ASN HD2y 1.0 1.8 5.3 318 318 A 37 ASN HBx A 37 ASN HD2y 1.0 1.8 5.3 319 319 A 37 ASN HD2x A 37 ASN HD2y 1.0 1.8 5.0 320 320 A 37 ASN HBy A 37 ASN H 1.0 1.8 4.8 321 321 A 37 ASN H A 37 ASN HBx 1.0 1.8 4.8 322 322 A 37 ASN H A 37 ASN HD2y 1.0 1.8 7.5 323 323 A 38 TYR HA A 38 TYR HBy 1.0 1.8 6.0 324 324 A 38 TYR HA A 38 TYR HBy 1.0 1.8 7.5 325 325 A 38 TYR HBy A 38 TYR H 1.0 1.8 8.5 326 326 A 38 TYR HBy A 38 TYR H 1.0 1.8 4.8 327 327 A 39 ASP HA A 39 ASP HBy 1.0 1.8 7.0 328 328 A 39 ASP HA A 39 ASP HBx 1.0 1.8 6.0 329 329 A 39 ASP HBy A 39 ASP HBx 1.0 1.8 5.3 330 330 A 39 ASP H A 39 ASP HBy 1.0 1.8 7.5 331 331 A 39 ASP HA A 39 ASP HBx 1.0 1.8 7.5 332 332 A 39 ASP H A 39 ASP HBx 1.0 1.8 7.5 333 333 A 39 ASP H A 39 ASP HBy 1.0 1.8 4.8 334 334 A 39 ASP H A 39 ASP HBx 1.0 1.8 4.8 335 335 A 40 ILE HA A 40 ILE HB 1.0 1.8 6.5 336 336 A 40 ILE HA A 40 ILE HG1x 1.0 1.8 5.3 337 337 A 40 ILE HA A 40 ILE HG2% 1.0 1.8 5.3 338 338 A 40 ILE HB A 40 ILE HG2% 1.0 1.8 5.3 339 339 A 40 ILE H A 40 ILE HB 1.0 1.8 6.5 340 340 A 40 ILE HA A 40 ILE HD1% 1.0 1.8 7.5 341 341 A 40 ILE HB A 40 ILE HD1% 1.0 1.8 5.3 342 342 A 40 ILE HD1% A 40 ILE HG1y 1.0 1.8 5.3 343 343 A 40 ILE HG1x A 40 ILE HG1y 1.0 1.8 5.3 344 344 A 40 ILE HG1x A 40 ILE HG1y 1.0 1.8 5.3 345 345 A 40 ILE HA A 40 ILE HG2% 1.0 1.8 5.3 346 346 A 40 ILE H A 40 ILE HB 1.0 1.8 5.3 347 347 A 40 ILE H A 40 ILE HG1y 1.0 1.8 6.5 348 348 A 40 ILE H A 40 ILE HG1x 1.0 1.8 6.5 349 349 A 40 ILE H A 40 ILE HG2% 1.0 1.8 5.3 350 350 A 41 GLY HAy A 41 GLY HAx 1.0 1.8 5.3 351 351 A 41 GLY HAy A 41 GLY HAx 1.0 1.8 6.5 352 352 A 42 ALA HA A 42 ALA HB% 1.0 1.8 5.3 353 353 A 42 ALA HA A 42 ALA HB% 1.0 1.8 5.3 354 354 A 42 ALA H A 42 ALA HB% 1.0 1.8 5.3 355 355 A 42 ALA H A 42 ALA HB% 1.0 1.8 5.0 356 356 A 43 ALA HA A 43 ALA HB% 1.0 1.8 6.5 357 357 A 43 ALA HA A 43 ALA HB% 1.0 1.8 5.3 358 358 A 43 ALA H A 43 ALA HB% 1.0 1.8 5.3 359 359 A 43 ALA H A 43 ALA HB% 1.0 1.8 5.3 360 360 A 44 LEU HDx% A 44 LEU HA 1.0 1.8 5.3 361 361 A 44 LEU HBy A 44 LEU HBx 1.0 1.8 6.5 362 362 A 44 LEU HDx% A 44 LEU HBy 1.0 1.8 6.5 363 363 A 44 LEU H A 44 LEU HBy 1.0 1.8 7.5 364 364 A 44 LEU HBy A 44 LEU HBx 1.0 1.8 6.5 365 365 A 44 LEU HDx% A 44 LEU HBx 1.0 1.8 5.3 366 366 A 44 LEU HDx% A 44 LEU HBx 1.0 1.8 5.0 367 367 A 44 LEU HBy A 44 LEU HG 1.0 1.8 5.3 368 368 A 44 LEU H A 44 LEU HBy 1.0 1.8 6.0 369 369 A 44 LEU HDx% A 44 LEU H 1.0 1.8 5.3 370 370 A 45 ASP HBx A 45 ASP HA 1.0 1.8 6.0 371 371 A 45 ASP HBy A 45 ASP H 1.0 1.8 4.8 372 372 A 45 ASP HBx A 45 ASP H 1.0 1.8 4.8 373 373 A 46 THR HA A 46 THR HG2% 1.0 1.8 5.3 374 374 A 46 THR HA A 46 THR HB 1.0 1.8 5.3 375 375 A 46 THR H A 46 THR HB 1.0 1.8 6.5 376 376 A 46 THR HA A 46 THR HG2% 1.0 1.8 5.3 377 377 A 46 THR H A 46 THR HB 1.0 1.8 6.5 378 378 A 46 THR H A 46 THR HG2% 1.0 1.8 6.5 379 379 A 47 ILE HA A 47 ILE HG2% 1.0 1.8 6.5 380 380 A 47 ILE H A 47 ILE HB 1.0 1.8 6.5 381 381 A 47 ILE HD1% A 47 ILE HG1y 1.0 1.8 5.3 382 382 A 47 ILE HD1% A 47 ILE HG1x 1.0 1.8 5.3 383 383 A 47 ILE HG2% A 47 ILE HD1% 1.0 1.8 5.0 384 384 A 47 ILE H A 47 ILE HD1% 1.0 1.8 7.5 385 385 A 47 ILE HA A 47 ILE HG2% 1.0 1.8 6.5 386 386 A 47 ILE H A 47 ILE HD1% 1.0 1.8 6.5 387 387 A 47 ILE H A 47 ILE HG1y 1.0 1.8 6.5 388 388 A 47 ILE H A 47 ILE HG1x 1.0 1.8 6.5 389 389 A 47 ILE H A 47 ILE HG2% 1.0 1.8 5.3 390 390 A 48 GLN HE2x A 48 GLN HG2 1.0 1.8 5.3 391 391 A 48 GLN HE2y A 48 GLN HBy 1.0 1.8 6.5 392 392 A 48 GLN HE2x A 48 GLN HE2y 1.0 1.8 5.0 393 393 A 48 GLN HG2 A 48 GLN HE2y 1.0 1.8 5.3 394 394 A 48 GLN H A 48 GLN HBy 1.0 1.8 6.0 395 395 A 48 GLN H A 48 GLN HG2 1.0 1.8 6.5 396 396 A 49 TYR HA A 49 TYR HBy 1.0 1.8 6.0 397 397 A 49 TYR HA A 49 TYR HBx 1.0 1.8 6.0 398 398 A 49 TYR HA A 49 TYR HBy 1.0 1.8 6.5 399 399 A 49 TYR HBy A 49 TYR HBx 1.0 1.8 5.3 400 400 A 49 TYR HBy A 49 TYR H 1.0 1.8 7.5 401 401 A 49 TYR HA A 49 TYR HBx 1.0 1.8 6.5 402 402 A 49 TYR HBy A 49 TYR HBx 1.0 1.8 5.3 403 403 A 49 TYR HBx A 49 TYR H 1.0 1.8 7.5 404 404 A 49 TYR HBy A 49 TYR H 1.0 1.8 6.0 405 405 A 49 TYR HBx A 49 TYR H 1.0 1.8 6.0 406 406 A 50 SER HA A 50 SER HBy 1.0 1.8 5.3 407 407 A 50 SER H A 50 SER HBy 1.0 1.8 6.5 408 408 A 50 SER H A 50 SER HBy 1.0 1.8 6.0 409 409 A 51 LYS HA A 51 LYS HBy 1.0 1.8 4.8 410 410 A 52 HIS HA A 52 HIS HBy 1.0 1.8 6.0 411 411 A 52 HIS HA A 52 HIS HBx 1.0 1.8 6.0 412 412 A 52 HIS HA A 52 HIS HBy 1.0 1.8 7.5 413 413 A 52 HIS HA A 52 HIS HBx 1.0 1.8 7.5 414 414 A 52 HIS HBy A 52 HIS HBx 1.0 1.8 5.0 415 415 A 52 HIS HBx A 52 HIS HD2 1.0 1.8 8.5 416 416 A 52 HIS H A 52 HIS HBy 1.0 1.8 4.8 417 417 A 52 HIS H A 52 HIS HBx 1.0 1.8 4.8 418 418 A 52 HIS H A 52 HIS HD2 1.0 1.8 6.5 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 A 9 ARG H A 38 TYR HE% 1.0 1.8 7.5 2 2 A 38 TYR HE% A 10 LEU HA 1.0 1.8 7.5 3 3 A 38 TYR HE% A 10 LEU HBy 1.0 1.8 8.5 4 4 A 10 LEU HDy% A 38 TYR HD% 1.0 1.8 5.3 5 5 A 38 TYR HE% A 10 LEU H 1.0 1.8 6.5 6 6 A 17 MET HE% A 17 MET HGy 1.0 1.8 5.3 7 7 A 17 MET HE% A 17 MET HGx 1.0 1.8 6.5 8 8 A 17 MET HE% A 29 LEU HDy% 1.0 1.8 5.0 9 9 A 20 MET HE% A 17 MET H 1.0 1.8 7.5 10 10 A 20 MET HE% A 20 MET HGx 1.0 1.8 6.5 11 11 A 20 MET HE% A 22 PHE HD% 1.0 1.8 7.5 12 12 A 20 MET HE% A 22 PHE HE% 1.0 1.8 7.5 13 13 A 22 PHE HD% A 20 MET H 1.0 1.8 6.5 14 14 A 17 MET HE% A 22 PHE HD% 1.0 1.8 8.5 15 15 A 17 MET HE% A 22 PHE HE% 1.0 1.8 7.5 16 16 A 17 MET HE% A 22 PHE HZ 1.0 1.8 7.5 17 17 A 22 PHE HD% A 20 MET HBx 1.0 1.8 8.5 18 18 A 22 PHE HD% A 22 PHE HA 1.0 1.8 7.5 19 19 A 22 PHE HD% A 22 PHE HBy 1.0 1.8 7.5 20 20 A 22 PHE HE% A 22 PHE HBy 1.0 1.8 8.5 21 21 A 22 PHE HD% A 22 PHE HE% 1.0 1.8 6.5 22 22 A 22 PHE HD% A 22 PHE H 1.0 1.8 5.3 23 23 A 22 PHE HE% A 22 PHE H 1.0 1.8 7.5 24 24 A 22 PHE HD% A 22 PHE HZ 1.0 1.8 8.5 25 25 A 22 PHE HE% A 22 PHE HZ 1.0 1.8 6.5 26 26 A 22 PHE HD% A 23 SER H 1.0 1.8 8.5 27 27 A 22 PHE HE% A 23 SER HA 1.0 1.8 8.5 28 28 A 22 PHE HD% A 25 GLU HGx 1.0 1.8 8.5 29 29 A 29 LEU HDy% A 22 PHE HD% 1.0 1.8 8.5 30 30 A 22 PHE HD% A 44 LEU HDx% 1.0 1.8 7.5 31 31 A 22 PHE HE% A 44 LEU HDx% 1.0 1.8 7.5 32 32 A 22 PHE HD% A 48 GLN HBx 1.0 1.8 8.5 33 33 A 22 PHE HE% A 23 SER H 1.0 1.8 7.5 34 34 A 22 PHE HD% A 25 GLU H 1.0 1.8 7.5 35 35 A 17 MET HE% A 28 TRP HH2 1.0 1.8 8.5 36 36 A 38 TYR HE% A 34 GLN HA 1.0 1.8 7.5 37 37 A 38 TYR HE% A 34 GLN HGy 1.0 1.8 7.5 38 38 A 38 TYR HE% A 34 GLN H 1.0 1.8 7.5 39 39 A 38 TYR HE% A 35 THR H 1.0 1.8 7.5 40 40 A 38 TYR HD% A 37 ASN HBy 1.0 1.8 7.5 41 41 A 38 TYR HD% A 37 ASN H 1.0 1.8 6.5 42 42 A 38 TYR HE% A 9 ARG HBy 1.0 1.8 5.3 43 43 A 10 LEU HA A 38 TYR HD% 1.0 1.8 8.5 44 44 A 38 TYR HD% A 10 LEU HDx% 1.0 1.8 7.5 45 45 A 38 TYR HD% A 14 LEU HDx% 1.0 1.8 8.5 46 46 A 38 TYR HE% A 33 LEU HDx% 1.0 1.8 8.5 47 47 A 38 TYR HE% A 34 GLN HBx 1.0 1.8 7.5 48 48 A 38 TYR HE% A 36 LYS HDy 1.0 1.8 8.5 49 49 A 38 TYR HE% A 36 LYS HDx 1.0 1.8 7.5 50 50 A 38 TYR HE% A 36 LYS HEx 1.0 1.8 8.5 51 51 A 38 TYR HD% A 37 ASN HA 1.0 1.8 8.5 52 52 A 38 TYR HE% A 37 ASN HBx 1.0 1.8 7.5 53 53 A 38 TYR HD% A 38 TYR HA 1.0 1.8 6.5 54 54 A 38 TYR HD% A 38 TYR HBy 1.0 1.8 7.5 55 55 A 38 TYR HE% A 38 TYR HA 1.0 1.8 7.5 56 56 A 38 TYR HE% A 38 TYR HBy 1.0 1.8 7.5 57 57 A 38 TYR HE% A 38 TYR H 1.0 1.8 8.5 58 58 A 38 TYR HD% A 38 TYR H 1.0 1.8 5.3 59 59 A 38 TYR HD% A 39 ASP H 1.0 1.8 7.5 60 60 A 38 TYR HE% A 39 ASP H 1.0 1.8 7.5 61 61 A 17 MET HGy A 49 TYR HE% 1.0 1.8 7.5 62 62 A 49 TYR HD% A 45 ASP HBy 1.0 1.8 8.5 63 63 A 49 TYR HD% A 45 ASP HBx 1.0 1.8 8.5 64 64 A 49 TYR HD% A 49 TYR HA 1.0 1.8 6.5 65 65 A 49 TYR HD% A 49 TYR HBy 1.0 1.8 7.5 66 66 A 49 TYR HD% A 49 TYR HBx 1.0 1.8 7.5 67 67 A 49 TYR HE% A 49 TYR HD% 1.0 1.8 5.0 68 68 A 49 TYR HE% A 49 TYR HBx 1.0 1.8 8.5 69 69 A 49 TYR HD% A 49 TYR H 1.0 1.8 6.5 70 70 A 49 TYR HD% A 50 SER HA 1.0 1.8 8.5 71 71 A 49 TYR HD% A 50 SER H 1.0 1.8 7.5 72 72 A 49 TYR HE% A 50 SER HA 1.0 1.8 8.5 73 73 A 49 TYR HE% A 50 SER HBy 1.0 1.8 8.5 74 74 A 49 TYR HD% A 50 SER HBy 1.0 1.8 7.5 stop_ save_ save_CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_5 _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 A 6 ALA H A 10 LEU HG 1.0 1.8 6.5 2 2 A 7 ASP H A 11 ILE HG2% 1.0 1.8 7.5 3 3 A 15 SER HA A 11 ILE HG2% 1.0 1.8 5.3 4 4 A 24 ASP HA A 28 TRP HD1 1.0 1.8 8.5 5 5 A 25 GLU H A 29 LEU HBy 1.0 1.8 7.0 6 6 A 25 GLU H A 29 LEU HDx% 1.0 1.8 6.5 7 7 A 28 TRP HE3 A 32 LEU HDx% 1.0 1.8 8.5 8 8 A 28 TRP HE3 A 32 LEU HG 1.0 1.8 8.5 9 9 A 29 LEU H A 33 LEU HDy% 1.0 1.8 7.5 10 10 A 39 ASP H A 43 ALA HB% 1.0 1.8 7.5 11 11 A 42 ALA H A 46 THR HG2% 1.0 1.8 7.5 12 12 A 7 ASP HA A 3 PRO HDy 1.0 1.8 5.3 13 13 A 7 ASP HA A 3 PRO HDx 1.0 1.8 5.3 14 14 A 7 ASP H A 3 PRO HDy 1.0 1.8 6.5 15 15 A 7 ASP H A 3 PRO HDx 1.0 1.8 6.5 16 16 A 10 LEU H A 6 ALA HB% 1.0 1.8 7.5 17 17 A 9 ARG HBy A 13 SER H 1.0 1.8 7.0 18 18 A 13 SER H A 9 ARG HG2 1.0 1.8 7.5 19 19 A 10 LEU HA A 14 LEU HDy% 1.0 1.8 5.3 20 20 A 10 LEU HDy% A 14 LEU H 1.0 1.8 5.3 21 21 A 15 SER H A 11 ILE HG2% 1.0 1.8 6.5 22 22 A 18 LEU H A 14 LEU HG 1.0 1.8 7.5 23 23 A 22 PHE H A 18 LEU HBx 1.0 1.8 7.0 24 24 A 24 ASP H A 28 TRP HD1 1.0 1.8 8.5 25 25 A 24 ASP HA A 28 TRP HE1 1.0 1.8 6.5 26 26 A 24 ASP HBy A 28 TRP HE1 1.0 1.8 7.5 27 27 A 24 ASP HBx A 28 TRP HE1 1.0 1.8 7.5 28 28 A 24 ASP H A 28 TRP HE1 1.0 1.8 7.5 29 29 A 32 LEU H A 28 TRP HE3 1.0 1.8 7.5 30 30 A 29 LEU HDy% A 33 LEU HG 1.0 1.8 7.5 31 31 A 29 LEU HDy% A 33 LEU H 1.0 1.8 7.5 32 32 A 30 THR HG2% A 34 GLN HE2x 1.0 1.8 5.3 33 33 A 30 THR HG2% A 34 GLN HE2y 1.0 1.8 5.3 34 34 A 34 GLN HGy A 30 THR HG2% 1.0 1.8 7.5 35 35 A 30 THR HG2% A 34 GLN HGx 1.0 1.8 7.5 36 36 A 34 GLN H A 30 THR HG2% 1.0 1.8 6.5 37 37 A 38 TYR H A 34 GLN HBy 1.0 1.8 7.0 38 38 A 43 ALA H A 39 ASP HBy 1.0 1.8 7.0 39 39 A 43 ALA H A 39 ASP HBx 1.0 1.8 7.0 40 40 A 43 ALA HA A 47 ILE HD1% 1.0 1.8 6.5 41 41 A 44 LEU HDx% A 48 GLN HE2x 1.0 1.8 6.5 42 42 A 48 GLN H A 44 LEU HDy% 1.0 1.8 7.5 43 43 A 5 GLU H A 8 PRO HDy 1.0 1.8 7.5 44 44 A 5 GLU H A 8 PRO HDx 1.0 1.8 6.5 45 45 A 7 ASP H A 10 LEU HBx 1.0 1.8 6.0 46 46 A 10 LEU HDx% A 7 ASP H 1.0 1.8 6.5 47 47 A 25 GLU H A 28 TRP HE1 1.0 1.8 6.5 48 48 A 27 GLY H A 30 THR HG2% 1.0 1.8 6.5 49 49 A 29 LEU HA A 32 LEU HBy 1.0 1.8 7.0 50 50 A 29 LEU HA A 32 LEU HBx 1.0 1.8 7.0 51 51 A 30 THR H A 33 LEU HDy% 1.0 1.8 7.5 52 52 A 32 LEU H A 35 THR HB 1.0 1.8 7.5 53 53 A 32 LEU H A 35 THR HG2% 1.0 1.8 7.5 54 54 A 36 LYS HDx A 33 LEU HA 1.0 1.8 7.5 55 55 A 39 ASP HBy A 42 ALA HB% 1.0 1.8 7.5 56 56 A 39 ASP HBx A 42 ALA HB% 1.0 1.8 7.5 57 57 A 39 ASP H A 42 ALA HB% 1.0 1.8 5.3 58 58 A 41 GLY H A 44 LEU HBx 1.0 1.8 7.0 59 59 A 44 LEU HDx% A 41 GLY H 1.0 1.8 6.5 60 60 A 45 ASP HBy A 42 ALA HA 1.0 1.8 7.0 61 61 A 45 ASP HBy A 42 ALA H 1.0 1.8 7.0 62 62 A 45 ASP HBx A 42 ALA H 1.0 1.8 7.0 63 63 A 43 ALA H A 46 THR HG2% 1.0 1.8 7.5 64 64 A 6 ALA H A 3 PRO HG2 1.0 1.8 5.3 65 65 A 10 LEU H A 7 ASP HBy 1.0 1.8 6.0 66 66 A 8 PRO HA A 11 ILE HD1% 1.0 1.8 6.5 67 67 A 11 ILE H A 8 PRO HBy 1.0 1.8 7.0 68 68 A 9 ARG HBy A 12 GLU H 1.0 1.8 7.0 69 69 A 12 GLU H A 9 ARG HG2 1.0 1.8 7.5 70 70 A 13 SER HA A 16 GLN HE2x 1.0 1.8 7.5 71 71 A 13 SER HA A 16 GLN HE2y 1.0 1.8 6.5 72 72 A 15 SER HA A 18 LEU HDy% 1.0 1.8 6.5 73 73 A 19 SER H A 16 GLN HGy 1.0 1.8 7.5 74 74 A 27 GLY H A 24 ASP HBy 1.0 1.8 7.0 75 75 A 25 GLU HBy A 28 TRP HD1 1.0 1.8 8.5 76 76 A 25 GLU HGx A 28 TRP HD1 1.0 1.8 8.5 77 77 A 25 GLU H A 28 TRP HD1 1.0 1.8 8.5 78 78 A 25 GLU HBy A 28 TRP HE1 1.0 1.8 6.5 79 79 A 25 GLU HGx A 28 TRP HE1 1.0 1.8 7.5 80 80 A 25 GLU HBy A 28 TRP HZ2 1.0 1.8 8.5 81 81 A 29 LEU HDy% A 32 LEU HBy 1.0 1.8 7.5 82 82 A 32 LEU H A 29 LEU HBx 1.0 1.8 6.0 83 83 A 29 LEU HDy% A 32 LEU H 1.0 1.8 6.5 84 84 A 32 LEU HDx% A 35 THR HB 1.0 1.8 6.5 85 85 A 35 THR H A 32 LEU HDy% 1.0 1.8 7.5 86 86 A 42 ALA H A 39 ASP HBy 1.0 1.8 6.0 87 87 A 42 ALA H A 39 ASP HBx 1.0 1.8 6.0 88 88 A 40 ILE HA A 43 ALA HB% 1.0 1.8 6.5 89 89 A 43 ALA H A 40 ILE HB 1.0 1.8 7.5 90 90 A 43 ALA H A 40 ILE HG2% 1.0 1.8 6.5 91 91 A 45 ASP H A 42 ALA HB% 1.0 1.8 7.5 92 92 A 46 THR H A 43 ALA HB% 1.0 1.8 7.5 93 93 A 45 ASP HBx A 48 GLN H 1.0 1.8 7.0 94 94 A 18 LEU H A 20 MET HBy 1.0 1.8 7.0 95 95 A 28 TRP HE3 A 30 THR HB 1.0 1.8 8.5 96 96 A 30 THR H A 28 TRP HE3 1.0 1.8 8.5 97 97 A 29 LEU H A 31 ARG HBy 1.0 1.8 7.0 98 98 A 30 THR H A 32 LEU HBy 1.0 1.8 7.0 99 99 A 31 ARG H A 33 LEU HDy% 1.0 1.8 7.5 100 100 A 36 LYS HDy A 34 GLN HE2x 1.0 1.8 6.5 101 101 A 36 LYS HDx A 34 GLN HE2x 1.0 1.8 7.5 102 102 A 35 THR H A 37 ASN HD2y 1.0 1.8 7.5 103 103 A 38 TYR H A 40 ILE HG2% 1.0 1.8 7.5 104 104 A 40 ILE H A 42 ALA HB% 1.0 1.8 7.5 105 105 A 42 ALA H A 44 LEU HBy 1.0 1.8 7.0 106 106 A 44 LEU HDx% A 42 ALA H 1.0 1.8 6.5 107 107 A 5 GLU H A 3 PRO HG2 1.0 1.8 5.3 108 108 A 6 ALA H A 4 PRO HBx 1.0 1.8 4.8 109 109 A 13 SER H A 11 ILE HG2% 1.0 1.8 6.5 110 110 A 18 LEU H A 16 GLN HGy 1.0 1.8 7.5 111 111 A 18 LEU H A 16 GLN HGx 1.0 1.8 7.5 112 112 A 20 MET H A 18 LEU HDx% 1.0 1.8 7.5 113 113 A 21 GLY H A 19 SER HBy 1.0 1.8 7.0 114 114 A 22 PHE H A 20 MET HGy 1.0 1.8 7.5 115 115 A 25 GLU H A 23 SER HBy 1.0 1.8 6.0 116 116 A 25 GLU H A 23 SER HBx 1.0 1.8 6.0 117 117 A 30 THR H A 28 TRP HBy 1.0 1.8 7.0 118 118 A 35 THR H A 33 LEU HDx% 1.0 1.8 7.5 119 119 A 35 THR HB A 37 ASN HD2x 1.0 1.8 7.5 120 120 A 37 ASN H A 35 THR HG2% 1.0 1.8 7.5 121 121 A 41 GLY H A 39 ASP HBy 1.0 1.8 7.0 122 122 A 41 GLY H A 39 ASP HBx 1.0 1.8 7.0 123 123 A 42 ALA H A 40 ILE HB 1.0 1.8 7.5 124 124 A 42 ALA H A 40 ILE HD1% 1.0 1.8 6.5 125 125 A 45 ASP H A 43 ALA HB% 1.0 1.8 7.5 stop_ save_ save_CNS/XPLOR_dihedral_8 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_8 _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 A 1 GLY C A 2 SER N A 2 SER CA A 2 SER C 1.0 -121.25 -61.25 PHI 2 2 A 2 SER N A 2 SER CA A 2 SER C A 3 PRO N 1.0 92.41 152.41 PSI 3 3 A 2 SER C A 3 PRO N A 3 PRO CA A 3 PRO C 1.0 -100.22 -40.22 PHI 4 4 A 3 PRO N A 3 PRO CA A 3 PRO C A 4 PRO N 1.0 117.13 177.13 PSI 5 5 A 8 PRO C A 9 ARG N A 9 ARG CA A 9 ARG C 1.0 -91.90 -31.90 PHI 6 6 A 9 ARG N A 9 ARG CA A 9 ARG C A 10 LEU N 1.0 -68.49 -8.49 PSI 7 7 A 9 ARG C A 10 LEU N A 10 LEU CA A 10 LEU C 1.0 -95.46 -35.46 PHI 8 8 A 10 LEU N A 10 LEU CA A 10 LEU C A 11 ILE N 1.0 -71.15 -11.15 PSI 9 9 A 10 LEU C A 11 ILE N A 11 ILE CA A 11 ILE C 1.0 -93.61 -33.61 PHI 10 10 A 11 ILE N A 11 ILE CA A 11 ILE C A 12 GLU N 1.0 -69.17 -9.17 PSI 11 11 A 11 ILE C A 12 GLU N A 12 GLU CA A 12 GLU C 1.0 -92.27 -32.27 PHI 12 12 A 12 GLU N A 12 GLU CA A 12 GLU C A 13 SER N 1.0 -68.96 -8.96 PSI 13 13 A 12 GLU C A 13 SER N A 13 SER CA A 13 SER C 1.0 -93.85 -33.85 PHI 14 14 A 13 SER N A 13 SER CA A 13 SER C A 14 LEU N 1.0 -71.52 -11.52 PSI 15 15 A 13 SER C A 14 LEU N A 14 LEU CA A 14 LEU C 1.0 -92.05 -32.05 PHI 16 16 A 14 LEU N A 14 LEU CA A 14 LEU C A 15 SER N 1.0 -70.38 -10.38 PSI 17 17 A 14 LEU C A 15 SER N A 15 SER CA A 15 SER C 1.0 -93.22 -33.22 PHI 18 18 A 15 SER N A 15 SER CA A 15 SER C A 16 GLN N 1.0 -71.40 -11.40 PSI 19 19 A 15 SER C A 16 GLN N A 16 GLN CA A 16 GLN C 1.0 -94.37 -34.37 PHI 20 20 A 16 GLN N A 16 GLN CA A 16 GLN C A 17 MET N 1.0 -71.75 -11.75 PSI 21 21 A 16 GLN C A 17 MET N A 17 MET CA A 17 MET C 1.0 -98.55 -38.55 PHI 22 22 A 17 MET N A 17 MET CA A 17 MET C A 18 LEU N 1.0 -68.58 -8.58 PSI 23 23 A 17 MET C A 18 LEU N A 18 LEU CA A 18 LEU C 1.0 -94.75 -34.75 PHI 24 24 A 18 LEU N A 18 LEU CA A 18 LEU C A 19 SER N 1.0 -69.09 -9.09 PSI 25 25 A 18 LEU C A 19 SER N A 19 SER CA A 19 SER C 1.0 -95.83 -35.83 PHI 26 26 A 19 SER N A 19 SER CA A 19 SER C A 20 MET N 1.0 -53.63 6.37 PSI 27 27 A 19 SER C A 20 MET N A 20 MET CA A 20 MET C 1.0 -113.67 -53.67 PHI 28 28 A 20 MET N A 20 MET CA A 20 MET C A 21 GLY N 1.0 -36.49 23.51 PSI 29 29 A 20 MET C A 21 GLY N A 21 GLY CA A 21 GLY C 1.0 55.27 115.27 PHI 30 30 A 21 GLY N A 21 GLY CA A 21 GLY C A 22 PHE N 1.0 -14.14 45.86 PSI 31 31 A 23 SER C A 24 ASP N A 24 ASP CA A 24 ASP C 1.0 -129.19 -69.19 PHI 32 32 A 24 ASP N A 24 ASP CA A 24 ASP C A 25 GLU N 1.0 106.00 166.00 PSI 33 33 A 29 LEU C A 30 THR N A 30 THR CA A 30 THR C 1.0 -91.99 -31.99 PHI 34 34 A 30 THR N A 30 THR CA A 30 THR C A 31 ARG N 1.0 -70.19 -10.19 PSI 35 35 A 30 THR C A 31 ARG N A 31 ARG CA A 31 ARG C 1.0 -93.93 -33.93 PHI 36 36 A 31 ARG N A 31 ARG CA A 31 ARG C A 32 LEU N 1.0 -65.54 -5.54 PSI 37 37 A 31 ARG C A 32 LEU N A 32 LEU CA A 32 LEU C 1.0 -93.93 -33.93 PHI 38 38 A 32 LEU N A 32 LEU CA A 32 LEU C A 33 LEU N 1.0 -72.27 -12.27 PSI 39 39 A 32 LEU C A 33 LEU N A 33 LEU CA A 33 LEU C 1.0 -91.26 -31.26 PHI 40 40 A 33 LEU N A 33 LEU CA A 33 LEU C A 34 GLN N 1.0 -68.88 -8.88 PSI 41 41 A 33 LEU C A 34 GLN N A 34 GLN CA A 34 GLN C 1.0 -94.16 -34.16 PHI 42 42 A 34 GLN N A 34 GLN CA A 34 GLN C A 35 THR N 1.0 -68.43 -8.43 PSI 43 43 A 34 GLN C A 35 THR N A 35 THR CA A 35 THR C 1.0 -93.01 -33.01 PHI 44 44 A 35 THR N A 35 THR CA A 35 THR C A 36 LYS N 1.0 -64.66 -4.66 PSI 45 45 A 35 THR C A 36 LYS N A 36 LYS CA A 36 LYS C 1.0 -130.82 -70.82 PHI 46 46 A 36 LYS N A 36 LYS CA A 36 LYS C A 37 ASN N 1.0 -19.29 40.71 PSI 47 47 A 38 TYR C A 39 ASP N A 39 ASP CA A 39 ASP C 1.0 -133.03 -73.03 PHI 48 48 A 39 ASP N A 39 ASP CA A 39 ASP C A 40 ILE N 1.0 98.86 158.86 PSI 49 49 A 40 ILE C A 41 GLY N A 41 GLY CA A 41 GLY C 1.0 -93.26 -33.26 PHI 50 50 A 41 GLY N A 41 GLY CA A 41 GLY C A 42 ALA N 1.0 -67.96 -7.96 PSI 51 51 A 41 GLY C A 42 ALA N A 42 ALA CA A 42 ALA C 1.0 -101.09 -41.09 PHI 52 52 A 42 ALA N A 42 ALA CA A 42 ALA C A 43 ALA N 1.0 -64.36 -4.36 PSI 53 53 A 42 ALA C A 43 ALA N A 43 ALA CA A 43 ALA C 1.0 -92.98 -32.98 PHI 54 54 A 43 ALA N A 43 ALA CA A 43 ALA C A 44 LEU N 1.0 -72.24 -12.24 PSI 55 55 A 43 ALA C A 44 LEU N A 44 LEU CA A 44 LEU C 1.0 -92.81 -32.81 PHI 56 56 A 44 LEU N A 44 LEU CA A 44 LEU C A 45 ASP N 1.0 -71.43 -11.43 PSI 57 57 A 44 LEU C A 45 ASP N A 45 ASP CA A 45 ASP C 1.0 -96.66 -36.66 PHI 58 58 A 45 ASP N A 45 ASP CA A 45 ASP C A 46 THR N 1.0 -70.13 -10.13 PSI 59 59 A 45 ASP C A 46 THR N A 46 THR CA A 46 THR C 1.0 -92.86 -32.86 PHI 60 60 A 46 THR N A 46 THR CA A 46 THR C A 47 ILE N 1.0 -64.03 -4.03 PSI 61 61 A 46 THR C A 47 ILE N A 47 ILE CA A 47 ILE C 1.0 -129.34 -69.34 PHI 62 62 A 47 ILE N A 47 ILE CA A 47 ILE C A 48 GLN N 1.0 -16.47 43.53 PSI stop_ save_ save_CNS/XPLOR_dipolar_coupling_9 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_9 save_