data_nef_c17840_2lhd 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 BMRB 17839 BMRB 17841 BMRB 17843 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 THR start . . 2 A 2 THR middle . . 3 A 3 TYR middle . . 4 A 4 LYS middle . . 5 A 5 LEU middle . . 6 A 6 ILE middle . . 7 A 7 LEU middle . . 8 A 8 ASN middle . . 9 A 9 LEU middle . . 10 A 10 LYS middle . . 11 A 11 GLN middle . . 12 A 12 ALA middle . . 13 A 13 LYS middle . . 14 A 14 GLU middle . . 15 A 15 GLU middle . . 16 A 16 ALA middle . . 17 A 17 ILE middle . . 18 A 18 LYS middle . . 19 A 19 GLU middle . . 20 A 20 LEU middle . . 21 A 21 VAL middle . . 22 A 22 ASP middle . . 23 A 23 ALA middle . . 24 A 24 GLY middle . false 25 A 25 THR middle . . 26 A 26 ALA middle . . 27 A 27 GLU middle . . 28 A 28 LYS middle . . 29 A 29 TYR middle . . 30 A 30 PHE middle . . 31 A 31 LYS middle . . 32 A 32 LEU middle . . 33 A 33 ILE middle . . 34 A 34 ALA middle . . 35 A 35 ASN middle . . 36 A 36 ALA middle . . 37 A 37 LYS middle . . 38 A 38 THR middle . . 39 A 39 VAL middle . . 40 A 40 GLU middle . . 41 A 41 GLY middle . false 42 A 42 VAL middle . . 43 A 43 TRP middle . . 44 A 44 THR middle . . 45 A 45 TYR middle . . 46 A 46 LYS middle . . 47 A 47 ASP middle . . 48 A 48 GLU middle . . 49 A 49 ILE middle . . 50 A 50 LYS middle . . 51 A 51 THR middle . . 52 A 52 PHE middle . . 53 A 53 THR middle . . 54 A 54 VAL middle . . 55 A 55 THR middle . . 56 A 56 GLU 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 THR HA H 1 4.054 0.036 A 1 THR HB H 1 3.763 0.05 A 1 THR HG2% H 1 0.961 0.031 A 1 THR CA C 13 62.449 0.029 A 1 THR CB C 13 69.915 0.5 A 2 THR H H 1 8.67 0.07 A 2 THR HA H 1 4.311 0.012 A 2 THR HB H 1 3.911 0.065 A 2 THR HG2% H 1 1.123 0.048 A 2 THR C C 13 172.13 0.5 A 2 THR CA C 13 63.855 0.325 A 2 THR CB C 13 68.688 0.205 A 2 THR CG2 C 13 22.834 0.5 A 2 THR N N 15 123.9 0.064 A 3 TYR H H 1 8.657 0.061 A 3 TYR HA H 1 5.361 0.01 A 3 TYR HBy H 1 3.45 0.011 A 3 TYR HBx H 1 3.096 0.054 A 3 TYR HD1 H 1 7.165 0.026 A 3 TYR HD2 H 1 7.165 0.026 A 3 TYR C C 13 173.427 0.5 A 3 TYR CA C 13 57.953 0.07 A 3 TYR CB C 13 43.108 0.5 A 3 TYR N N 15 127.206 0.189 A 4 LYS H H 1 8.599 0.079 A 4 LYS HA H 1 5.401 0.024 A 4 LYS HBy H 1 1.986 0.007 A 4 LYS HBx H 1 1.891 0.013 A 4 LYS HE2 H 1 2.877 0.044 A 4 LYS HE3 H 1 2.877 0.044 A 4 LYS HG2 H 1 1.344 0.13 A 4 LYS HG3 H 1 1.344 0.13 A 4 LYS C C 13 172.296 0.5 A 4 LYS CA C 13 54.66 0.019 A 4 LYS CB C 13 35.95 0.125 A 4 LYS CE C 13 41.276 0.5 A 4 LYS CG C 13 25.703 0.5 A 4 LYS N N 15 120.377 0.072 A 5 LEU H H 1 8.781 0.005 A 5 LEU HA H 1 5.023 0.07 A 5 LEU HBx H 1 0.951 0.039 A 5 LEU HDy% H 1 0.629 0.02 A 5 LEU C C 13 174.359 0.5 A 5 LEU CA C 13 52.537 0.04 A 5 LEU CB C 13 44.162 0.5 A 5 LEU N N 15 126.484 0.1 A 6 ILE H H 1 8.895 0.067 A 6 ILE HA H 1 4.368 0.011 A 6 ILE HB H 1 1.854 0.019 A 6 ILE HD1% H 1 0.783 0.043 A 6 ILE C C 13 173.982 0.5 A 6 ILE CA C 13 60.462 0.114 A 6 ILE CB C 13 38.716 0.088 A 6 ILE CD1 C 13 12.238 0.5 A 6 ILE N N 15 126.235 0.136 A 7 LEU H H 1 8.627 0.052 A 7 LEU HA H 1 4.397 0.073 A 7 LEU HBy H 1 1.608 0.06 A 7 LEU HBx H 1 1.132 0.006 A 7 LEU HDx% H 1 0.521 0.079 A 7 LEU C C 13 173.915 0.5 A 7 LEU CA C 13 53.629 0.074 A 7 LEU CB C 13 41.312 0.061 A 7 LEU N N 15 125.986 0.135 A 8 ASN H H 1 8.762 0.084 A 8 ASN HA H 1 5.07 0.039 A 8 ASN HBy H 1 2.858 0.013 A 8 ASN HBx H 1 2.532 0.019 A 8 ASN HD2y H 1 6.991 0.05 A 8 ASN HD2x H 1 6.681 0.05 A 8 ASN C C 13 173.96 0.5 A 8 ASN CA C 13 51.813 0.068 A 8 ASN CB C 13 37.862 0.025 A 8 ASN N N 15 125.244 0.096 A 9 LEU H H 1 7.409 0.094 A 9 LEU HA H 1 4.633 0.018 A 9 LEU HBy H 1 2.012 0.017 A 9 LEU HBx H 1 1.787 0.009 A 9 LEU HDx% H 1 0.805 0.054 A 9 LEU HG H 1 1.496 0.036 A 9 LEU C C 13 176.821 0.5 A 9 LEU CA C 13 53.418 0.035 A 9 LEU CB C 13 41.422 0.115 A 9 LEU CD1 C 13 22.659 0.5 A 9 LEU CG C 13 26.054 0.5 A 9 LEU N N 15 121.294 0.094 A 10 LYS H H 1 8.935 0.06 A 10 LYS HA H 1 3.936 0.026 A 10 LYS HB2 H 1 1.759 0.039 A 10 LYS HB3 H 1 1.759 0.039 A 10 LYS HE2 H 1 3.103 0.025 A 10 LYS HE3 H 1 3.103 0.025 A 10 LYS HG2 H 1 1.444 0.046 A 10 LYS HG3 H 1 1.444 0.046 A 10 LYS C C 13 179.217 0.5 A 10 LYS CA C 13 59.712 0.074 A 10 LYS CB C 13 31.806 0.04 A 10 LYS CE C 13 40.983 0.5 A 10 LYS CG C 13 26.054 0.5 A 10 LYS N N 15 120.567 0.118 A 11 GLN H H 1 8.296 0.066 A 11 GLN HA H 1 4.311 0.013 A 11 GLN HBy H 1 2.196 0.009 A 11 GLN HBx H 1 1.891 0.042 A 11 GLN HG2 H 1 2.275 0.019 A 11 GLN HG3 H 1 2.275 0.019 A 11 GLN C C 13 174.891 0.5 A 11 GLN CA C 13 55.966 0.082 A 11 GLN CB C 13 29.158 0.041 A 11 GLN CG C 13 34.192 0.5 A 11 GLN N N 15 112.875 0.406 A 12 ALA H H 1 6.849 0.095 A 12 ALA HA H 1 4.325 0.092 A 12 ALA HB% H 1 1.298 0.027 A 12 ALA C C 13 173.76 0.5 A 12 ALA CA C 13 52.509 0.033 A 12 ALA CB C 13 21.412 0.017 A 12 ALA N N 15 119.661 0.033 A 13 LYS H H 1 8.05 0.046 A 13 LYS HA H 1 5.271 0.028 A 13 LYS HB2 H 1 1.734 0.042 A 13 LYS HB3 H 1 1.734 0.042 A 13 LYS HG2 H 1 1.359 0.03 A 13 LYS HG3 H 1 1.359 0.03 A 13 LYS C C 13 175.801 0.5 A 13 LYS CA C 13 55.135 0.014 A 13 LYS CB C 13 33.692 0.062 A 13 LYS CG C 13 24.591 0.5 A 13 LYS N N 15 119.342 0.336 A 14 GLU H H 1 8.327 0.042 A 14 GLU HA H 1 4.739 0.026 A 14 GLU HBy H 1 2.028 0.04 A 14 GLU HBx H 1 1.8 0.041 A 14 GLU C C 13 173.316 0.5 A 14 GLU CA C 13 54.842 0.047 A 14 GLU CB C 13 34.36 0.124 A 14 GLU N N 15 123.266 0.103 A 15 GLU H H 1 8.386 0.122 A 15 GLU HA H 1 5.509 0.022 A 15 GLU HB2 H 1 1.92 0.032 A 15 GLU HB3 H 1 1.92 0.032 A 15 GLU HG2 H 1 2.071 0.052 A 15 GLU HG3 H 1 2.071 0.052 A 15 GLU C C 13 174.27 0.5 A 15 GLU CA C 13 54.655 0.038 A 15 GLU CB C 13 34.031 0.164 A 15 GLU CG C 13 37.002 0.5 A 15 GLU N N 15 119.898 0.098 A 16 ALA H H 1 8.911 0.098 A 16 ALA HA H 1 4.874 0.05 A 16 ALA HB% H 1 1.482 0.03 A 16 ALA C C 13 174.403 0.5 A 16 ALA CA C 13 51.364 0.066 A 16 ALA CB C 13 22.496 0.08 A 16 ALA N N 15 125.415 0.029 A 17 ILE H H 1 8.329 0.057 A 17 ILE HA H 1 5.468 0.017 A 17 ILE HB H 1 1.847 0.042 A 17 ILE HD1% H 1 0.573 0.01 A 17 ILE HG12 H 1 1.121 0.016 A 17 ILE HG13 H 1 1.121 0.016 A 17 ILE HG2% H 1 0.895 0.063 A 17 ILE C C 13 175.712 0.5 A 17 ILE CA C 13 59.873 0.208 A 17 ILE CB C 13 42.163 0.097 A 17 ILE CD1 C 13 12.589 0.5 A 17 ILE CG1 C 13 27.167 0.5 A 17 ILE CG2 C 13 17.917 0.5 A 17 ILE N N 15 117.476 0.203 A 18 LYS H H 1 9.05 0.1 A 18 LYS HA H 1 4.42 0.013 A 18 LYS HBx H 1 1.421 0.061 A 18 LYS HBy H 1 1.424 0.05 A 18 LYS HD2 H 1 0.925 0.009 A 18 LYS HD3 H 1 0.925 0.009 A 18 LYS HG2 H 1 0.409 0.009 A 18 LYS HG3 H 1 0.409 0.009 A 18 LYS C C 13 172.873 0.5 A 18 LYS CA C 13 55.119 0.232 A 18 LYS CB C 13 37.23 0.182 A 18 LYS CD C 13 27.225 0.5 A 18 LYS CG C 13 23.83 0.5 A 18 LYS N N 15 125.884 0.083 A 19 GLU H H 1 8.241 0.092 A 19 GLU HA H 1 4.973 0.057 A 19 GLU HB2 H 1 1.883 0.027 A 19 GLU HB3 H 1 1.883 0.027 A 19 GLU C C 13 175.135 0.5 A 19 GLU CA C 13 55.4 0.067 A 19 GLU CB C 13 29.316 0.093 A 19 GLU N N 15 128.105 0.112 A 20 LEU H H 1 8.563 0.064 A 20 LEU HA H 1 4.215 0.02 A 20 LEU HB2 H 1 1.364 0.027 A 20 LEU HB3 H 1 1.364 0.027 A 20 LEU HDx% H 1 0.838 0.05 A 20 LEU C C 13 177.531 0.5 A 20 LEU CA C 13 53.206 0.423 A 20 LEU CB C 13 45.684 0.5 A 20 LEU N N 15 127.206 0.194 A 21 VAL H H 1 8.094 0.069 A 21 VAL HA H 1 4.014 0.024 A 21 VAL HB H 1 2.129 0.082 A 21 VAL HGx% H 1 0.964 0.022 A 21 VAL C C 13 175.002 0.5 A 21 VAL CA C 13 65.334 0.092 A 21 VAL CB C 13 31.927 0.124 A 21 VAL CG1 C 13 20.376 0.5 A 21 VAL N N 15 116.204 0.272 A 22 ASP H H 1 6.862 0.103 A 22 ASP HA H 1 4.838 0.079 A 22 ASP HB2 H 1 2.956 0.007 A 22 ASP HB3 H 1 2.956 0.007 A 22 ASP C C 13 174.536 0.5 A 22 ASP CA C 13 53.147 0.036 A 22 ASP CB C 13 42.692 0.079 A 22 ASP N N 15 114.375 0.296 A 23 ALA H H 1 8.389 0.07 A 23 ALA HA H 1 3 0.05 A 23 ALA HB% H 1 1.282 0.068 A 23 ALA C C 13 180.082 0.5 A 23 ALA CA C 13 54.843 0.149 A 23 ALA CB C 13 17.62 0.196 A 23 ALA N N 15 121.084 0.119 A 24 GLY H H 1 8.391 0.077 A 24 GLY HA2 H 1 3.755 0.016 A 24 GLY HA3 H 1 3.755 0.016 A 24 GLY C C 13 176.91 0.5 A 24 GLY CA C 13 47.033 0.149 A 24 GLY N N 15 108.035 0.482 A 25 THR H H 1 8.071 0.1 A 25 THR HA H 1 4 0.096 A 25 THR HB H 1 3.77 0.098 A 25 THR HG2% H 1 1.178 0.072 A 25 THR C C 13 176.555 0.5 A 25 THR CA C 13 66.9 0.243 A 25 THR CB C 13 68.095 0.132 A 25 THR CG2 C 13 21.488 0.5 A 25 THR N N 15 120.237 0.083 A 26 ALA H H 1 7.444 0.069 A 26 ALA HA H 1 3.461 0.019 A 26 ALA HB% H 1 0.756 0.044 A 26 ALA C C 13 175.734 0.5 A 26 ALA CA C 13 52.843 0.159 A 26 ALA CB C 13 17.402 0.476 A 26 ALA N N 15 124.685 0.076 A 27 GLU H H 1 8.121 0.03 A 27 GLU HA H 1 2.797 0.039 A 27 GLU HBy H 1 2.015 0.031 A 27 GLU HBx H 1 1.863 0.021 A 27 GLU HG2 H 1 1.596 0.032 A 27 GLU HG3 H 1 1.596 0.032 A 27 GLU C C 13 177.131 0.5 A 27 GLU CA C 13 60.137 0.166 A 27 GLU CB C 13 29.227 0.003 A 27 GLU CG C 13 35.538 0.5 A 27 GLU N N 15 119.278 0.521 A 28 LYS H H 1 6.847 0.13 A 28 LYS HA H 1 3.64 0.026 A 28 LYS HB2 H 1 1.643 0.069 A 28 LYS HB3 H 1 1.643 0.069 A 28 LYS HE2 H 1 2.871 0.05 A 28 LYS HE3 H 1 2.871 0.05 A 28 LYS HG2 H 1 1.345 0.051 A 28 LYS HG3 H 1 1.345 0.051 A 28 LYS C C 13 178.64 0.5 A 28 LYS CA C 13 59.851 0.07 A 28 LYS CB C 13 32.406 0.033 A 28 LYS CG C 13 25.41 0.5 A 28 LYS N N 15 115.377 0.3 A 29 TYR H H 1 7.358 0.063 A 29 TYR HA H 1 4.109 0.09 A 29 TYR HBy H 1 2.937 0.042 A 29 TYR HBx H 1 2.553 0.063 A 29 TYR HD1 H 1 7.027 0.013 A 29 TYR HD2 H 1 7.027 0.013 A 29 TYR HE1 H 1 6.722 0.012 A 29 TYR HE2 H 1 6.722 0.012 A 29 TYR C C 13 177.619 0.5 A 29 TYR CA C 13 61.273 0.263 A 29 TYR CB C 13 37.974 0.254 A 29 TYR CD1 C 13 132.621 0.08 A 29 TYR CD2 C 13 132.621 0.08 A 29 TYR CE1 C 13 118.177 0.5 A 29 TYR CE2 C 13 118.177 0.5 A 29 TYR N N 15 119.713 0.036 A 30 PHE H H 1 8.601 0.087 A 30 PHE HA H 1 4.507 0.055 A 30 PHE HBy H 1 3.283 0.03 A 30 PHE HBx H 1 2.943 0.043 A 30 PHE HD1 H 1 6.677 0.185 A 30 PHE HD2 H 1 6.677 0.185 A 30 PHE HE1 H 1 7.145 0.057 A 30 PHE HE2 H 1 7.145 0.057 A 30 PHE C C 13 178.507 0.5 A 30 PHE CA C 13 57.562 0.434 A 30 PHE CB C 13 37.623 0.117 A 30 PHE CD1 C 13 131.003 0.5 A 30 PHE CD2 C 13 131.003 0.5 A 30 PHE CE1 C 13 130.611 0.5 A 30 PHE CE2 C 13 130.611 0.5 A 30 PHE N N 15 117.565 0.195 A 31 LYS H H 1 8.31 0.085 A 31 LYS HA H 1 4.018 0.058 A 31 LYS HBx H 1 1.663 0.063 A 31 LYS HG2 H 1 1.09 0.082 A 31 LYS HG3 H 1 1.09 0.082 A 31 LYS C C 13 178.751 0.5 A 31 LYS CA C 13 59.959 0.106 A 31 LYS CB C 13 31.704 0.006 A 31 LYS CG C 13 26.113 0.5 A 31 LYS N N 15 121.534 0.126 A 32 LEU H H 1 6.89 0.098 A 32 LEU HA H 1 4.126 0.117 A 32 LEU HBy H 1 1.889 0.01 A 32 LEU HBx H 1 1.561 0.038 A 32 LEU HDx% H 1 0.82 0.004 A 32 LEU HG H 1 1.687 0.031 A 32 LEU C C 13 180.636 0.5 A 32 LEU CA C 13 58.09 0.229 A 32 LEU CB C 13 41.297 0.04 A 32 LEU CD1 C 13 23.186 0.5 A 32 LEU CG C 13 25.527 0.5 A 32 LEU N N 15 118.368 0.202 A 33 ILE H H 1 6.985 0.062 A 33 ILE HA H 1 3.697 0.081 A 33 ILE HB H 1 1.918 0.055 A 33 ILE HD1% H 1 0.714 0.009 A 33 ILE C C 13 178.485 0.5 A 33 ILE CA C 13 63.884 0.125 A 33 ILE CB C 13 37.514 0.117 A 33 ILE CD1 C 13 17.105 0.013 A 33 ILE N N 15 118.866 0.099 A 34 ALA H H 1 8.312 0.079 A 34 ALA HA H 1 3.939 0.124 A 34 ALA HB% H 1 1.598 0.031 A 34 ALA C C 13 179.372 0.5 A 34 ALA CA C 13 55.233 0.123 A 34 ALA CB C 13 18.674 0.008 A 34 ALA N N 15 121.16 0.118 A 35 ASN H H 1 8.222 0.055 A 35 ASN HA H 1 4.586 0.098 A 35 ASN HB2 H 1 2.889 0.028 A 35 ASN HB3 H 1 2.889 0.028 A 35 ASN HD2y H 1 6.979 0.05 A 35 ASN C C 13 173.871 0.5 A 35 ASN CA C 13 55.695 0.098 A 35 ASN CB C 13 38.131 0.186 A 35 ASN N N 15 116.166 0.194 A 36 ALA H H 1 7.397 0.065 A 36 ALA HA H 1 4.28 0.115 A 36 ALA HB% H 1 1.464 0.025 A 36 ALA C C 13 178.507 0.5 A 36 ALA CA C 13 54.083 0.109 A 36 ALA CB C 13 18.911 0.443 A 36 ALA N N 15 121.269 0.075 A 37 LYS H H 1 7.371 0.07 A 37 LYS HA H 1 4.306 0.027 A 37 LYS HB2 H 1 1.788 0.058 A 37 LYS HB3 H 1 1.788 0.058 A 37 LYS HE2 H 1 2.87 0.05 A 37 LYS HE3 H 1 2.87 0.05 A 37 LYS HG2 H 1 1.425 0.019 A 37 LYS HG3 H 1 1.425 0.019 A 37 LYS C C 13 175.401 0.5 A 37 LYS CA C 13 56.263 0.057 A 37 LYS CB C 13 33.931 0.134 A 37 LYS CG C 13 24.883 0.5 A 37 LYS N N 15 116.114 0.204 A 38 THR H H 1 7.812 0.089 A 38 THR HA H 1 4.3 0.051 A 38 THR HB H 1 3.98 0.012 A 38 THR HG2% H 1 1.227 0.081 A 38 THR C C 13 173.139 0.5 A 38 THR CA C 13 61.53 0.115 A 38 THR CB C 13 69.468 0.486 A 38 THR CG2 C 13 21.195 0.5 A 38 THR N N 15 113.187 0.398 A 39 VAL H H 1 8.091 0.035 A 39 VAL HA H 1 4.252 0.056 A 39 VAL HB H 1 1.989 0.049 A 39 VAL HGx% H 1 0.748 0.05 A 39 VAL C C 13 174.869 0.5 A 39 VAL CA C 13 62.51 0.085 A 39 VAL CB C 13 32.661 0.189 A 39 VAL N N 15 122.49 0.314 A 40 GLU H H 1 8.479 0.085 A 40 GLU HA H 1 4.544 0.033 A 40 GLU HBy H 1 2.195 0.072 A 40 GLU HBx H 1 1.968 0.027 A 40 GLU C C 13 174.913 0.5 A 40 GLU CA C 13 55.397 0.123 A 40 GLU CB C 13 30.497 0.063 A 40 GLU N N 15 124.998 0.401 A 41 GLY H H 1 7.868 0.067 A 41 GLY HAy H 1 4.095 0.013 A 41 GLY HAx H 1 3.476 0.015 A 41 GLY C C 13 174.558 0.5 A 41 GLY CA C 13 45.301 0.182 A 41 GLY N N 15 107.295 0.56 A 42 VAL H H 1 8.087 0.09 A 42 VAL HA H 1 4.384 0.023 A 42 VAL HB H 1 1.882 0.05 A 42 VAL HGx% H 1 1.013 0.091 A 42 VAL C C 13 176.399 0.5 A 42 VAL CA C 13 62.467 0.223 A 42 VAL CB C 13 33.393 0.066 A 42 VAL CG1 C 13 20.961 0.5 A 42 VAL N N 15 120.789 0.238 A 43 TRP H H 1 9.224 0.162 A 43 TRP HA H 1 5.248 0.02 A 43 TRP HBy H 1 3.3 0.036 A 43 TRP HBx H 1 3.133 0.045 A 43 TRP HD1 H 1 7.289 0.03 A 43 TRP HE1 H 1 10.129 0.019 A 43 TRP HE3 H 1 7.614 0.109 A 43 TRP HH2 H 1 6.717 0.05 A 43 TRP HZ2 H 1 7.193 0.064 A 43 TRP HZ3 H 1 6.569 0.043 A 43 TRP C C 13 176.821 0.5 A 43 TRP CA C 13 58.026 0.135 A 43 TRP CB C 13 29.775 0.098 A 43 TRP CD1 C 13 125.763 0.5 A 43 TRP CE3 C 13 120.587 0.5 A 43 TRP CZ2 C 13 114.6 0.5 A 43 TRP CZ3 C 13 122.827 0.5 A 43 TRP N N 15 130.892 0.343 A 43 TRP NE1 N 15 130.288 0.026 A 44 THR H H 1 9.093 0.06 A 44 THR HA H 1 4.802 0.043 A 44 THR HB H 1 4.174 0.007 A 44 THR HG2% H 1 1.17 0.021 A 44 THR C C 13 171.963 0.5 A 44 THR CA C 13 60.996 0.089 A 44 THR CB C 13 72.649 0.055 A 44 THR CG2 C 13 22.073 0.5 A 44 THR N N 15 114.739 0.189 A 45 TYR H H 1 8.474 0.047 A 45 TYR HA H 1 5.004 0.049 A 45 TYR HBy H 1 2.916 0.053 A 45 TYR HBx H 1 2.579 0.09 A 45 TYR HE1 H 1 6.357 0.101 A 45 TYR HE2 H 1 6.357 0.101 A 45 TYR C C 13 173.472 0.5 A 45 TYR CA C 13 57.084 0.075 A 45 TYR CB C 13 41.234 0.062 A 45 TYR N N 15 121.068 0.109 A 46 LYS H H 1 7.144 0.066 A 46 LYS HA H 1 4.333 0.016 A 46 LYS HBy H 1 1.558 0.044 A 46 LYS HBx H 1 1.287 0.035 A 46 LYS HE2 H 1 2.845 0.002 A 46 LYS HE3 H 1 2.845 0.002 A 46 LYS C C 13 174.847 0.5 A 46 LYS CA C 13 53.972 0.037 A 46 LYS CB C 13 33.847 0.068 A 46 LYS CE C 13 43.325 0.5 A 46 LYS N N 15 128.497 0.203 A 47 ASP H H 1 8.513 0.065 A 47 ASP HA H 1 4.004 0.011 A 47 ASP HBy H 1 2.89 0.04 A 47 ASP HBx H 1 2.46 0.017 A 47 ASP C C 13 179.191 0.5 A 47 ASP CA C 13 57.428 0.05 A 47 ASP CB C 13 42.288 0.5 A 47 ASP N N 15 126.4 0.11 A 48 GLU H H 1 9.618 0.093 A 48 GLU HA H 1 4.073 0.05 A 48 GLU HB2 H 1 1.946 0.032 A 48 GLU HB3 H 1 1.946 0.032 A 48 GLU HG2 H 1 2.31 0.058 A 48 GLU HG3 H 1 2.31 0.058 A 48 GLU C C 13 176.976 0.5 A 48 GLU CA C 13 60.04 0.065 A 48 GLU CB C 13 28.657 0.073 A 48 GLU CG C 13 36.241 0.5 A 48 GLU N N 15 118.126 0.075 A 49 ILE H H 1 6.187 0.075 A 49 ILE HA H 1 4.619 0.041 A 49 ILE HB H 1 2.182 0.029 A 49 ILE HD1% H 1 0.791 0.027 A 49 ILE HG2% H 1 0.823 0.013 A 49 ILE C C 13 175.29 0.5 A 49 ILE CA C 13 60.389 0.089 A 49 ILE CB C 13 38.341 0.114 A 49 ILE CD1 C 13 12.765 0.5 A 49 ILE CG2 C 13 17.858 0.5 A 49 ILE N N 15 105.335 0.653 A 50 LYS H H 1 7.659 0.083 A 50 LYS HA H 1 4.173 0.035 A 50 LYS HB2 H 1 1.94 0.054 A 50 LYS HB3 H 1 1.94 0.054 A 50 LYS HE2 H 1 1.256 0.052 A 50 LYS HE3 H 1 1.256 0.052 A 50 LYS C C 13 174.159 0.5 A 50 LYS CA C 13 55.916 0.056 A 50 LYS CB C 13 29.349 0.203 A 50 LYS N N 15 124.144 0.076 A 51 THR H H 1 6.843 0.082 A 51 THR HA H 1 5.65 0.035 A 51 THR HB H 1 3.464 0.008 A 51 THR HG2% H 1 0.96 0.023 A 51 THR C C 13 173.405 0.5 A 51 THR CA C 13 62.262 0.057 A 51 THR CB C 13 73.271 0.032 A 51 THR CG2 C 13 20.844 0.5 A 51 THR N N 15 109.166 0.388 A 52 PHE H H 1 10.025 0.077 A 52 PHE HA H 1 5.559 0.054 A 52 PHE HBy H 1 3.146 0.031 A 52 PHE HBx H 1 3.055 0.02 A 52 PHE HD1 H 1 7.748 0.016 A 52 PHE HD2 H 1 7.748 0.016 A 52 PHE HE1 H 1 7.114 0.06 A 52 PHE HE2 H 1 7.114 0.06 A 52 PHE C C 13 173.627 0.5 A 52 PHE CA C 13 57.27 0.027 A 52 PHE CB C 13 42.155 0.077 A 52 PHE CD1 C 13 131.94 0.5 A 52 PHE CD2 C 13 131.94 0.5 A 52 PHE N N 15 130.917 0.416 A 53 THR H H 1 8.927 0.051 A 53 THR HA H 1 5.217 0.096 A 53 THR HB H 1 3.797 0.031 A 53 THR HG2% H 1 0.991 0.021 A 53 THR C C 13 171.586 0.5 A 53 THR CA C 13 61.724 0.314 A 53 THR CB C 13 70.567 0.416 A 53 THR CG2 C 13 20.61 0.5 A 53 THR N N 15 117.627 0.188 A 54 VAL H H 1 8.302 0.092 A 54 VAL HA H 1 4.427 0.085 A 54 VAL HB H 1 0.735 0.088 A 54 VAL HGx% H 1 0.208 0.025 A 54 VAL HGy% H 1 -0.63 0.056 A 54 VAL C C 13 172.873 0.5 A 54 VAL CA C 13 59.619 0.055 A 54 VAL CB C 13 32.662 0.107 A 54 VAL N N 15 124.587 0.117 A 55 THR H H 1 8.229 0.038 A 55 THR HA H 1 4.769 0.015 A 55 THR HB H 1 3.91 0.046 A 55 THR HG2% H 1 1.216 0.016 A 55 THR C C 13 173.294 0.5 A 55 THR CA C 13 61.698 0.405 A 55 THR CB C 13 71.382 0.145 A 55 THR CG2 C 13 21.078 0.5 A 55 THR N N 15 124.116 0.088 A 56 GLU H H 1 7.684 0.063 A 56 GLU HA H 1 4.176 0.03 A 56 GLU HBy H 1 1.991 0.026 A 56 GLU HBx H 1 1.887 0.023 A 56 GLU CA C 13 58.527 0.05 A 56 GLU CB C 13 31.831 0.5 A 56 GLU N N 15 131.376 0.376 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 1 THR HA A 1 THR HG2% 1.0 2.8 6.0 2 2 A 1 THR HG2% A 1 THR HB 1.0 1.8 4.0 3 3 A 2 THR HA A 2 THR HG2% 1.0 1.8 5.5 4 4 A 2 THR HG2% A 2 THR HB 1.0 1.8 4.0 5 5 A 2 THR HG2% A 2 THR HB 1.0 1.8 5.5 6 6 A 3 TYR HA A 3 TYR HBx 1.0 1.8 5.5 7 7 A 3 TYR HA A 3 TYR HBy 1.0 1.8 5.5 8 8 A 4 LYS HA A 4 LYS HBy 1.0 1.8 5.5 9 9 A 4 LYS HG3 A 4 LYS HBx 1.0 1.8 5.5 10 9 A 4 LYS HBx A 4 LYS HG2 1.0 1.8 5.5 11 10 A 4 LYS HG3 A 4 LYS HBy 1.0 1.8 5.5 12 10 A 4 LYS HBy A 4 LYS HG2 1.0 1.8 5.5 13 11 A 4 LYS HE3 A 4 LYS HBy 1.0 1.8 4.0 14 11 A 4 LYS HBy A 4 LYS HE2 1.0 1.8 4.0 15 12 A 4 LYS HE2 A 4 LYS HG2 1.0 1.8 3.0 16 12 A 4 LYS HE3 A 4 LYS HG2 1.0 1.8 3.0 17 12 A 4 LYS HG3 A 4 LYS HE2 1.0 1.8 3.0 18 12 A 4 LYS HG3 A 4 LYS HE3 1.0 1.8 3.0 19 13 A 4 LYS HE2 A 4 LYS HG2 1.0 1.8 4.0 20 13 A 4 LYS HE3 A 4 LYS HG2 1.0 1.8 4.0 21 13 A 4 LYS HG3 A 4 LYS HE2 1.0 1.8 4.0 22 13 A 4 LYS HG3 A 4 LYS HE3 1.0 1.8 4.0 23 14 A 6 ILE HA A 5 LEU HBy 1.0 1.8 4.0 24 15 A 6 ILE HA A 6 ILE HB 1.0 1.8 5.5 25 16 A 6 ILE HA A 6 ILE HD1% 1.0 1.8 5.5 26 17 A 6 ILE HA A 6 ILE HB 1.0 1.8 5.5 27 18 A 6 ILE HB A 6 ILE HD1% 1.0 1.8 4.0 28 19 A 6 ILE HB A 53 THR HA 1.0 1.8 5.5 29 20 A 6 ILE HA A 6 ILE HD1% 1.0 1.8 5.5 30 21 A 6 ILE HB A 6 ILE HD1% 1.0 1.8 5.5 31 22 A 7 LEU HA A 7 LEU HBx 1.0 1.8 5.5 32 23 A 7 LEU HA A 7 LEU HBy 1.0 1.8 5.5 33 24 A 7 LEU HA A 7 LEU HDx% 1.0 1.8 5.5 34 25 A 7 LEU HA A 54 VAL HGx% 1.0 2.8 6.0 35 26 A 7 LEU HA A 7 LEU HBx 1.0 1.8 5.5 36 27 A 7 LEU HA A 7 LEU HBy 1.0 1.8 5.5 37 28 A 7 LEU HBx A 7 LEU HBy 1.0 1.8 5.5 38 29 A 7 LEU HBx A 7 LEU HBy 1.0 1.8 5.5 39 30 A 8 ASN HA A 8 ASN HBx 1.0 1.8 5.5 40 31 A 8 ASN HA A 8 ASN HBy 1.0 1.8 5.5 41 32 A 8 ASN HA A 8 ASN HBx 1.0 1.8 5.5 42 33 A 8 ASN HA A 8 ASN HBy 1.0 1.8 5.5 43 34 A 8 ASN HBx A 8 ASN HBy 1.0 1.8 5.5 44 35 A 8 ASN HBx A 8 ASN HD2y 1.0 1.8 5.5 45 36 A 8 ASN HBy A 8 ASN HD2y 1.0 1.8 5.5 46 37 A 8 ASN HBx A 8 ASN HD2x 1.0 1.8 5.5 47 38 A 8 ASN HBx A 55 THR HA 1.0 1.8 5.5 48 39 A 8 ASN HBy A 55 THR HA 1.0 1.8 5.5 49 40 A 8 ASN HBx A 55 THR HG2% 1.0 1.8 5.5 50 41 A 8 ASN HBy A 55 THR HG2% 1.0 1.8 5.5 51 42 A 9 LEU HA A 9 LEU HBx 1.0 1.8 5.5 52 43 A 9 LEU HA A 9 LEU HBy 1.0 1.8 5.5 53 44 A 9 LEU HA A 9 LEU HBx 1.0 1.8 5.5 54 45 A 9 LEU HA A 9 LEU HBy 1.0 1.8 5.5 55 46 A 9 LEU HBx A 9 LEU HBy 1.0 1.8 5.5 56 47 A 9 LEU HBx A 9 LEU HBy 1.0 1.8 5.5 57 48 A 9 LEU HDx% A 9 LEU HBx 1.0 1.8 5.5 58 49 A 9 LEU HDx% A 9 LEU HBy 1.0 1.8 4.0 59 50 A 9 LEU HG A 9 LEU HBx 1.0 1.8 5.5 60 51 A 9 LEU HG A 9 LEU HBy 1.0 1.8 4.0 61 52 A 9 LEU HDx% A 9 LEU HBy 1.0 1.8 4.0 62 53 A 9 LEU HDx% A 9 LEU HG 1.0 1.8 4.0 63 54 A 9 LEU HDx% A 9 LEU HG 1.0 1.8 3.0 64 55 A 10 LYS HA A 10 LYS HB2 1.0 1.8 4.0 65 55 A 10 LYS HA A 10 LYS HB3 1.0 1.8 4.0 66 56 A 10 LYS HA A 10 LYS HG2 1.0 1.8 5.5 67 56 A 10 LYS HA A 10 LYS HG3 1.0 1.8 5.5 68 57 A 10 LYS HA A 10 LYS HB2 1.0 1.8 5.5 69 57 A 10 LYS HA A 10 LYS HB3 1.0 1.8 5.5 70 58 A 10 LYS HB2 A 10 LYS HG2 1.0 1.8 3.0 71 58 A 10 LYS HB3 A 10 LYS HG2 1.0 1.8 3.0 72 58 A 10 LYS HG3 A 10 LYS HB2 1.0 1.8 3.0 73 58 A 10 LYS HB3 A 10 LYS HG3 1.0 1.8 3.0 74 59 A 10 LYS HB2 A 10 LYS HG2 1.0 1.8 3.0 75 59 A 10 LYS HB3 A 10 LYS HG2 1.0 1.8 3.0 76 59 A 10 LYS HG3 A 10 LYS HB2 1.0 1.8 3.0 77 59 A 10 LYS HB3 A 10 LYS HG3 1.0 1.8 3.0 78 60 A 11 GLN HA A 11 GLN HBx 1.0 1.8 5.5 79 61 A 11 GLN HA A 11 GLN HBy 1.0 1.8 4.0 80 62 A 11 GLN HA A 11 GLN HG2 1.0 1.8 5.5 81 62 A 11 GLN HA A 11 GLN HG3 1.0 1.8 5.5 82 63 A 11 GLN HA A 11 GLN HBx 1.0 1.8 5.5 83 64 A 11 GLN HA A 11 GLN HBy 1.0 1.8 5.5 84 65 A 11 GLN HBx A 11 GLN HBy 1.0 1.8 3.0 85 66 A 11 GLN HBx A 11 GLN HBy 1.0 1.8 3.0 86 67 A 11 GLN HBx A 11 GLN HG2 1.0 1.8 3.0 87 67 A 11 GLN HBx A 11 GLN HG3 1.0 1.8 3.0 88 68 A 11 GLN HA A 11 GLN HG2 1.0 1.8 5.5 89 68 A 11 GLN HA A 11 GLN HG3 1.0 1.8 5.5 90 69 A 11 GLN HBx A 11 GLN HG2 1.0 1.8 3.0 91 69 A 11 GLN HBx A 11 GLN HG3 1.0 1.8 3.0 92 70 A 11 GLN HBy A 11 GLN HG2 1.0 1.8 4.0 93 70 A 11 GLN HBy A 11 GLN HG3 1.0 1.8 4.0 94 71 A 12 ALA HA A 12 ALA HB% 1.0 1.8 4.0 95 72 A 12 ALA HA A 12 ALA HB% 1.0 1.8 4.0 96 73 A 13 LYS HA A 13 LYS HB2 1.0 1.8 5.5 97 73 A 13 LYS HA A 13 LYS HB3 1.0 1.8 5.5 98 74 A 13 LYS HA A 13 LYS HG2 1.0 1.8 5.5 99 74 A 13 LYS HA A 13 LYS HG3 1.0 1.8 5.5 100 75 A 13 LYS HA A 13 LYS HB2 1.0 1.8 5.5 101 75 A 13 LYS HA A 13 LYS HB3 1.0 1.8 5.5 102 76 A 13 LYS HB2 A 13 LYS HG2 1.0 1.8 3.0 103 76 A 13 LYS HB3 A 13 LYS HG2 1.0 1.8 3.0 104 76 A 13 LYS HG3 A 13 LYS HB2 1.0 1.8 3.0 105 76 A 13 LYS HB3 A 13 LYS HG3 1.0 1.8 3.0 106 77 A 13 LYS HB2 A 13 LYS HG2 1.0 1.8 3.0 107 77 A 13 LYS HB3 A 13 LYS HG2 1.0 1.8 3.0 108 77 A 13 LYS HG3 A 13 LYS HB2 1.0 1.8 3.0 109 77 A 13 LYS HB3 A 13 LYS HG3 1.0 1.8 3.0 110 78 A 7 LEU HDx% A 14 GLU HBx 1.0 1.8 5.5 111 79 A 14 GLU HBx A 14 GLU HA 1.0 1.8 5.5 112 80 A 14 GLU HA A 14 GLU HBy 1.0 1.8 5.5 113 81 A 14 GLU HBx A 14 GLU HBy 1.0 1.8 4.0 114 82 A 14 GLU HBx A 14 GLU HBy 1.0 1.8 4.0 115 83 A 7 LEU HDx% A 15 GLU HA 1.0 1.8 5.5 116 84 A 15 GLU HA A 15 GLU HB2 1.0 1.8 5.5 117 84 A 15 GLU HA A 15 GLU HB3 1.0 1.8 5.5 118 85 A 15 GLU HA A 15 GLU HG2 1.0 1.8 5.5 119 85 A 15 GLU HA A 15 GLU HG3 1.0 1.8 5.5 120 86 A 15 GLU HB2 A 15 GLU HG2 1.0 1.8 3.0 121 86 A 15 GLU HB3 A 15 GLU HG2 1.0 1.8 3.0 122 86 A 15 GLU HG3 A 15 GLU HB2 1.0 1.8 3.0 123 86 A 15 GLU HB3 A 15 GLU HG3 1.0 1.8 3.0 124 87 A 6 ILE HD1% A 15 GLU HG2 1.0 1.8 5.5 125 87 A 6 ILE HD1% A 15 GLU HG3 1.0 1.8 5.5 126 88 A 13 LYS HG3 A 15 GLU HG2 1.0 1.8 5.5 127 88 A 13 LYS HG2 A 15 GLU HG2 1.0 1.8 5.5 128 88 A 15 GLU HG3 A 13 LYS HG2 1.0 1.8 5.5 129 88 A 13 LYS HG3 A 15 GLU HG3 1.0 1.8 5.5 130 89 A 15 GLU HB3 A 15 GLU HG2 1.0 1.8 3.0 131 89 A 15 GLU HB2 A 15 GLU HG2 1.0 1.8 3.0 132 89 A 15 GLU HG3 A 15 GLU HB2 1.0 1.8 3.0 133 89 A 15 GLU HB3 A 15 GLU HG3 1.0 1.8 3.0 134 90 A 16 ALA HB% A 16 ALA HA 1.0 1.8 4.0 135 91 A 17 ILE HA A 17 ILE HB 1.0 1.8 5.5 136 92 A 17 ILE HA A 17 ILE HG12 1.0 1.8 5.5 137 92 A 17 ILE HA A 17 ILE HG13 1.0 1.8 5.5 138 93 A 17 ILE HA A 17 ILE HG2% 1.0 1.8 5.5 139 94 A 17 ILE HA A 18 LYS HBy 1.0 1.8 5.5 140 95 A 17 ILE HB A 17 ILE HG12 1.0 1.8 5.5 141 95 A 17 ILE HB A 17 ILE HG13 1.0 1.8 5.5 142 96 A 17 ILE HB A 17 ILE HG2% 1.0 1.8 5.5 143 97 A 17 ILE HD1% A 17 ILE HG12 1.0 1.8 5.5 144 97 A 17 ILE HG13 A 17 ILE HD1% 1.0 1.8 5.5 145 98 A 17 ILE HG2% A 17 ILE HD1% 1.0 1.8 5.5 146 99 A 17 ILE HD1% A 17 ILE HG12 1.0 1.8 5.5 147 99 A 17 ILE HG13 A 17 ILE HD1% 1.0 1.8 5.5 148 100 A 17 ILE HG2% A 17 ILE HG12 1.0 1.8 3.0 149 100 A 17 ILE HG13 A 17 ILE HG2% 1.0 1.8 3.0 150 101 A 17 ILE HA A 17 ILE HG2% 1.0 1.8 5.5 151 102 A 17 ILE HG2% A 17 ILE HD1% 1.0 1.8 5.5 152 103 A 17 ILE HB A 18 LYS HA 1.0 1.8 5.5 153 104 A 18 LYS HBy A 18 LYS HA 1.0 1.8 5.5 154 105 A 18 LYS HA A 18 LYS HG2 1.0 1.8 5.5 155 105 A 18 LYS HA A 18 LYS HG3 1.0 1.8 5.5 156 106 A 18 LYS HBy A 30 PHE HD% 1.0 1.8 5.5 157 107 A 18 LYS HBy A 30 PHE HE% 1.0 1.8 5.5 158 108 A 18 LYS HBy A 18 LYS HD2 1.0 1.8 5.5 159 108 A 18 LYS HBy A 18 LYS HD3 1.0 1.8 5.5 160 109 A 18 LYS HG3 A 3 TYR HBy 1.0 1.8 5.5 161 109 A 3 TYR HBy A 18 LYS HG2 1.0 1.8 5.5 162 110 A 18 LYS HBy A 18 LYS HG2 1.0 1.8 5.5 163 110 A 18 LYS HBy A 18 LYS HG3 1.0 1.8 5.5 164 111 A 18 LYS HBx A 18 LYS HG2 1.0 1.8 5.5 165 111 A 18 LYS HG3 A 18 LYS HBx 1.0 1.8 5.5 166 112 A 18 LYS HD3 A 18 LYS HG2 1.0 1.8 4.0 167 112 A 18 LYS HD2 A 18 LYS HG2 1.0 1.8 4.0 168 112 A 18 LYS HG3 A 18 LYS HD2 1.0 1.8 4.0 169 112 A 18 LYS HG3 A 18 LYS HD3 1.0 1.8 4.0 170 113 A 19 GLU HA A 18 LYS HG2 1.0 1.8 5.5 171 113 A 18 LYS HG3 A 19 GLU HA 1.0 1.8 5.5 172 114 A 30 PHE HD% A 18 LYS HG2 1.0 1.8 5.5 173 114 A 18 LYS HG3 A 30 PHE HD% 1.0 1.8 5.5 174 115 A 2 THR HA A 19 GLU HA 1.0 1.8 5.5 175 116 A 19 GLU HA A 19 GLU HB2 1.0 1.8 5.5 176 116 A 19 GLU HA A 19 GLU HB3 1.0 1.8 5.5 177 117 A 19 GLU HA A 19 GLU HB2 1.0 1.8 5.5 178 117 A 19 GLU HA A 19 GLU HB3 1.0 1.8 5.5 179 118 A 20 LEU HA A 20 LEU HB2 1.0 1.8 3.0 180 118 A 20 LEU HA A 20 LEU HB3 1.0 1.8 3.0 181 119 A 21 VAL HA A 21 VAL HGx% 1.0 1.8 5.5 182 120 A 21 VAL HA A 21 VAL HB 1.0 1.8 5.5 183 121 A 21 VAL HGx% A 21 VAL HB 1.0 1.8 5.5 184 122 A 21 VAL HA A 21 VAL HGx% 1.0 1.8 5.5 185 123 A 21 VAL HGx% A 21 VAL HB 1.0 1.8 3.0 186 124 A 22 ASP HA A 22 ASP HB2 1.0 1.8 5.5 187 124 A 22 ASP HB3 A 22 ASP HA 1.0 1.8 5.5 188 125 A 27 GLU HBy A 24 GLY HA2 1.0 1.8 5.5 189 125 A 24 GLY HA3 A 27 GLU HBy 1.0 1.8 5.5 190 126 A 25 THR HA A 25 THR HG2% 1.0 1.8 5.5 191 127 A 25 THR HA A 25 THR HB 1.0 1.8 5.5 192 128 A 25 THR HA A 25 THR HG2% 1.0 1.8 3.0 193 129 A 25 THR HG2% A 25 THR HB 1.0 1.8 5.5 194 130 A 26 ALA HB% A 20 LEU HB2 1.0 1.8 5.5 195 130 A 20 LEU HB3 A 26 ALA HB% 1.0 1.8 5.5 196 131 A 27 GLU HA A 27 GLU HBx 1.0 1.8 5.5 197 132 A 27 GLU HA A 27 GLU HG2 1.0 1.8 5.5 198 132 A 27 GLU HA A 27 GLU HG3 1.0 1.8 5.5 199 133 A 27 GLU HA A 27 GLU HBx 1.0 1.8 5.5 200 134 A 27 GLU HBx A 27 GLU HG2 1.0 1.8 3.0 201 134 A 27 GLU HBx A 27 GLU HG3 1.0 1.8 3.0 202 135 A 27 GLU HBx A 52 PHE HE% 1.0 1.8 5.5 203 136 A 27 GLU HG3 A 28 LYS HG2 1.0 1.8 5.5 204 136 A 27 GLU HG2 A 28 LYS HG2 1.0 1.8 5.5 205 136 A 28 LYS HG3 A 27 GLU HG2 1.0 1.8 5.5 206 136 A 27 GLU HG3 A 28 LYS HG3 1.0 1.8 5.5 207 137 A 28 LYS HA A 28 LYS HB2 1.0 1.8 5.5 208 137 A 28 LYS HA A 28 LYS HB3 1.0 1.8 5.5 209 138 A 28 LYS HA A 28 LYS HE2 1.0 1.8 5.5 210 138 A 28 LYS HA A 28 LYS HE3 1.0 1.8 5.5 211 139 A 28 LYS HA A 28 LYS HG2 1.0 1.8 5.5 212 139 A 28 LYS HG3 A 28 LYS HA 1.0 1.8 5.5 213 140 A 28 LYS HA A 31 LYS HBy 1.0 1.8 5.5 214 141 A 28 LYS HA A 28 LYS HB2 1.0 1.8 5.5 215 141 A 28 LYS HA A 28 LYS HB3 1.0 1.8 5.5 216 142 A 28 LYS HB2 A 28 LYS HG2 1.0 1.8 3.0 217 142 A 28 LYS HB3 A 28 LYS HG2 1.0 1.8 3.0 218 142 A 28 LYS HG3 A 28 LYS HB2 1.0 1.8 3.0 219 142 A 28 LYS HG3 A 28 LYS HB3 1.0 1.8 3.0 220 143 A 28 LYS HA A 28 LYS HG2 1.0 1.8 5.5 221 143 A 28 LYS HG3 A 28 LYS HA 1.0 1.8 5.5 222 144 A 28 LYS HB2 A 28 LYS HG2 1.0 1.8 3.0 223 144 A 28 LYS HB3 A 28 LYS HG2 1.0 1.8 3.0 224 144 A 28 LYS HG3 A 28 LYS HB2 1.0 1.8 3.0 225 144 A 28 LYS HG3 A 28 LYS HB3 1.0 1.8 3.0 226 145 A 28 LYS HE3 A 28 LYS HG2 1.0 1.8 4.0 227 145 A 28 LYS HE2 A 28 LYS HG2 1.0 1.8 4.0 228 145 A 28 LYS HG3 A 28 LYS HE2 1.0 1.8 4.0 229 145 A 28 LYS HG3 A 28 LYS HE3 1.0 1.8 4.0 230 146 A 29 TYR HA A 29 TYR HBx 1.0 1.8 5.5 231 147 A 29 TYR HA A 32 LEU HBy 1.0 1.8 5.5 232 148 A 29 TYR HA A 32 LEU HDx% 1.0 1.8 5.5 233 149 A 29 TYR HA A 32 LEU HG 1.0 1.8 5.5 234 150 A 18 LYS HBy A 29 TYR HBx 1.0 1.8 5.5 235 151 A 29 TYR HA A 29 TYR HBx 1.0 1.8 5.5 236 152 A 29 TYR HBx A 29 TYR HBy 1.0 1.8 5.5 237 153 A 29 TYR HBx A 29 TYR HBy 1.0 1.8 5.5 238 154 A 30 PHE HA A 30 PHE HBx 1.0 1.8 5.5 239 155 A 30 PHE HA A 30 PHE HBy 1.0 1.8 5.5 240 156 A 30 PHE HD% A 30 PHE HA 1.0 1.8 5.5 241 157 A 30 PHE HE% A 30 PHE HA 1.0 1.8 5.5 242 158 A 30 PHE HA A 33 ILE HB 1.0 1.8 5.5 243 159 A 5 LEU HDy% A 30 PHE HBx 1.0 1.8 5.5 244 160 A 30 PHE HA A 30 PHE HBy 1.0 1.8 5.5 245 161 A 30 PHE HBy A 30 PHE HBx 1.0 1.8 5.5 246 162 A 30 PHE HD% A 30 PHE HBx 1.0 1.8 5.5 247 163 A 43 TRP HZ3 A 30 PHE HBx 1.0 1.8 5.5 248 164 A 31 LYS HBy A 31 LYS HA 1.0 1.8 5.5 249 165 A 31 LYS HA A 31 LYS HG2 1.0 1.8 5.5 250 165 A 31 LYS HA A 31 LYS HG3 1.0 1.8 5.5 251 166 A 31 LYS HA A 43 TRP HZ2 1.0 1.8 5.5 252 167 A 43 TRP HZ3 A 31 LYS HA 1.0 1.8 5.5 253 168 A 28 LYS HA A 31 LYS HBy 1.0 1.8 5.5 254 169 A 31 LYS HBy A 31 LYS HA 1.0 1.8 5.5 255 170 A 31 LYS HBy A 31 LYS HG2 1.0 1.8 5.5 256 170 A 31 LYS HBy A 31 LYS HG3 1.0 1.8 5.5 257 171 A 31 LYS HBy A 31 LYS HG2 1.0 1.8 5.5 258 171 A 31 LYS HBy A 31 LYS HG3 1.0 1.8 5.5 259 172 A 32 LEU HA A 32 LEU HBx 1.0 1.8 4.0 260 173 A 32 LEU HA A 32 LEU HBy 1.0 1.8 5.5 261 174 A 32 LEU HDx% A 32 LEU HA 1.0 1.8 4.0 262 175 A 32 LEU HG A 32 LEU HA 1.0 1.8 4.0 263 176 A 32 LEU HA A 35 ASN HB2 1.0 1.8 5.5 264 176 A 32 LEU HA A 35 ASN HB3 1.0 1.8 5.5 265 177 A 32 LEU HA A 32 LEU HBy 1.0 1.8 4.0 266 178 A 32 LEU HBx A 32 LEU HBy 1.0 1.8 5.5 267 179 A 32 LEU HDx% A 32 LEU HBx 1.0 1.8 5.5 268 180 A 32 LEU HDx% A 32 LEU HBy 1.0 1.8 3.0 269 181 A 32 LEU HG A 32 LEU HBx 1.0 1.8 4.0 270 182 A 32 LEU HG A 32 LEU HBy 1.0 1.8 4.0 271 183 A 32 LEU HDx% A 32 LEU HA 1.0 1.8 4.0 272 184 A 32 LEU HDx% A 32 LEU HBy 1.0 1.8 3.0 273 185 A 32 LEU HG A 32 LEU HA 1.0 1.8 5.5 274 186 A 32 LEU HG A 32 LEU HBy 1.0 1.8 5.5 275 187 A 32 LEU HDx% A 32 LEU HG 1.0 1.8 5.5 276 188 A 33 ILE HA A 33 ILE HD1% 1.0 1.8 5.5 277 189 A 33 ILE HA A 36 ALA HB% 1.0 1.8 5.5 278 190 A 33 ILE HA A 37 LYS HG2 1.0 1.8 5.5 279 190 A 33 ILE HA A 37 LYS HG3 1.0 1.8 5.5 280 191 A 33 ILE HB A 33 ILE HA 1.0 1.8 5.5 281 192 A 33 ILE HB A 33 ILE HD1% 1.0 1.8 5.5 282 193 A 33 ILE HB A 33 ILE HD1% 1.0 1.8 5.5 283 194 A 33 ILE HD1% A 37 LYS HA 1.0 1.8 5.5 284 195 A 5 LEU HDy% A 34 ALA HA 1.0 1.8 5.5 285 196 A 34 ALA HA A 34 ALA HB% 1.0 1.8 5.5 286 197 A 34 ALA HA A 37 LYS HB2 1.0 1.8 5.5 287 197 A 34 ALA HA A 37 LYS HB3 1.0 1.8 5.5 288 198 A 34 ALA HA A 37 LYS HG2 1.0 1.8 5.5 289 198 A 37 LYS HG3 A 34 ALA HA 1.0 1.8 5.5 290 199 A 5 LEU HDy% A 34 ALA HB% 1.0 1.8 5.5 291 200 A 31 LYS HA A 34 ALA HB% 1.0 1.8 5.5 292 201 A 34 ALA HA A 34 ALA HB% 1.0 1.8 5.5 293 202 A 34 ALA HB% A 39 VAL HGx% 1.0 1.8 5.5 294 203 A 43 TRP HZ2 A 34 ALA HB% 1.0 1.8 5.5 295 204 A 43 TRP HZ3 A 34 ALA HB% 1.0 1.8 5.5 296 205 A 35 ASN HA A 35 ASN HB2 1.0 1.8 5.5 297 205 A 35 ASN HB3 A 35 ASN HA 1.0 1.8 5.5 298 206 A 32 LEU HA A 35 ASN HB2 1.0 1.8 5.5 299 206 A 32 LEU HA A 35 ASN HB3 1.0 1.8 5.5 300 207 A 35 ASN HA A 35 ASN HB2 1.0 1.8 5.5 301 207 A 35 ASN HB3 A 35 ASN HA 1.0 1.8 5.5 302 208 A 35 ASN HD2y A 35 ASN HB2 1.0 1.8 5.5 303 208 A 35 ASN HB3 A 35 ASN HD2y 1.0 1.8 5.5 304 209 A 36 ALA HB% A 36 ALA HA 1.0 1.8 3.0 305 210 A 36 ALA HB% A 36 ALA HA 1.0 1.8 4.0 306 211 A 37 LYS HA A 37 LYS HB2 1.0 1.8 4.0 307 211 A 37 LYS HA A 37 LYS HB3 1.0 1.8 4.0 308 212 A 37 LYS HA A 37 LYS HG2 1.0 1.8 4.0 309 212 A 37 LYS HG3 A 37 LYS HA 1.0 1.8 4.0 310 213 A 37 LYS HB3 A 37 LYS HG2 1.0 1.8 4.0 311 213 A 37 LYS HB2 A 37 LYS HG2 1.0 1.8 4.0 312 213 A 37 LYS HG3 A 37 LYS HB2 1.0 1.8 4.0 313 213 A 37 LYS HG3 A 37 LYS HB3 1.0 1.8 4.0 314 214 A 37 LYS HA A 37 LYS HG2 1.0 1.8 5.5 315 214 A 37 LYS HG3 A 37 LYS HA 1.0 1.8 5.5 316 215 A 37 LYS HB3 A 37 LYS HG2 1.0 1.8 3.0 317 215 A 37 LYS HB2 A 37 LYS HG2 1.0 1.8 3.0 318 215 A 37 LYS HG3 A 37 LYS HB2 1.0 1.8 3.0 319 215 A 37 LYS HG3 A 37 LYS HB3 1.0 1.8 3.0 320 216 A 37 LYS HE3 A 37 LYS HG2 1.0 1.8 4.0 321 216 A 37 LYS HE2 A 37 LYS HG2 1.0 1.8 4.0 322 216 A 37 LYS HG3 A 37 LYS HE2 1.0 1.8 4.0 323 216 A 37 LYS HG3 A 37 LYS HE3 1.0 1.8 4.0 324 217 A 38 THR HA A 9 LEU HBx 1.0 1.8 5.5 325 218 A 9 LEU HDx% A 38 THR HA 1.0 1.8 5.5 326 219 A 38 THR HA A 38 THR HB 1.0 1.8 3.0 327 220 A 38 THR HB A 38 THR HG2% 1.0 1.8 4.0 328 221 A 38 THR HA A 38 THR HG2% 1.0 1.8 4.0 329 222 A 39 VAL HA A 39 VAL HB 1.0 1.8 5.5 330 223 A 39 VAL HA A 39 VAL HB 1.0 1.8 5.5 331 224 A 40 GLU HBx A 40 GLU HA 1.0 1.8 5.5 332 225 A 40 GLU HBx A 40 GLU HBy 1.0 1.8 3.0 333 226 A 40 GLU HBx A 40 GLU HBy 1.0 1.8 3.0 334 227 A 40 GLU HBx A 41 GLY HAy 1.0 1.8 5.5 335 228 A 41 GLY HAy A 41 GLY HAx 1.0 1.8 5.5 336 229 A 41 GLY HAy A 41 GLY HAx 1.0 1.8 5.5 337 230 A 41 GLY HAy A 42 VAL HGx% 1.0 1.8 5.5 338 231 A 42 VAL HA A 42 VAL HB 1.0 1.8 5.5 339 232 A 42 VAL HGx% A 42 VAL HA 1.0 1.8 4.0 340 233 A 42 VAL HA A 42 VAL HB 1.0 1.8 5.5 341 234 A 42 VAL HGx% A 42 VAL HB 1.0 1.8 4.0 342 235 A 42 VAL HGx% A 42 VAL HB 1.0 1.8 3.0 343 236 A 43 TRP HA A 43 TRP HBx 1.0 1.8 5.5 344 237 A 43 TRP HA A 43 TRP HBy 1.0 1.8 5.5 345 238 A 43 TRP HA A 43 TRP HD1 1.0 1.8 5.5 346 239 A 43 TRP HA A 54 VAL HA 1.0 1.8 5.5 347 240 A 43 TRP HA A 43 TRP HBx 1.0 1.8 5.5 348 241 A 43 TRP HA A 43 TRP HBy 1.0 1.8 5.5 349 242 A 43 TRP HBy A 43 TRP HBx 1.0 1.8 5.5 350 243 A 43 TRP HBy A 43 TRP HBx 1.0 1.8 5.5 351 244 A 43 TRP HE3 A 43 TRP HBx 1.0 1.8 5.5 352 245 A 43 TRP HE3 A 43 TRP HBy 1.0 1.8 5.5 353 246 A 44 THR HB A 44 THR HA 1.0 1.8 5.5 354 247 A 44 THR HB A 44 THR HG2% 1.0 1.8 4.0 355 248 A 44 THR HA A 44 THR HG2% 1.0 1.8 5.5 356 249 A 44 THR HB A 44 THR HG2% 1.0 1.8 3.0 357 250 A 45 TYR HA A 45 TYR HBx 1.0 1.8 5.5 358 251 A 45 TYR HA A 52 PHE HA 1.0 1.8 5.5 359 252 A 44 THR HA A 45 TYR HBx 1.0 1.8 5.5 360 253 A 45 TYR HA A 45 TYR HBx 1.0 1.8 5.5 361 254 A 45 TYR HA A 45 TYR HBy 1.0 1.8 5.5 362 255 A 45 TYR HBx A 45 TYR HBy 1.0 1.8 5.5 363 256 A 45 TYR HBx A 45 TYR HBy 1.0 1.8 3.0 364 257 A 52 PHE HA A 45 TYR HBy 1.0 1.8 5.5 365 258 A 46 LYS HA A 46 LYS HBx 1.0 1.8 4.0 366 259 A 46 LYS HA A 46 LYS HBy 1.0 1.8 4.0 367 260 A 46 LYS HA A 46 LYS HE2 1.0 1.8 5.5 368 260 A 46 LYS HA A 46 LYS HE3 1.0 1.8 5.5 369 261 A 46 LYS HA A 47 ASP HBy 1.0 2.8 6.0 370 262 A 46 LYS HA A 46 LYS HBx 1.0 1.8 5.5 371 263 A 46 LYS HA A 46 LYS HBy 1.0 1.8 5.5 372 264 A 46 LYS HBx A 46 LYS HBy 1.0 1.8 5.5 373 265 A 46 LYS HBx A 46 LYS HBy 1.0 1.8 3.0 374 266 A 46 LYS HBx A 46 LYS HE2 1.0 1.8 5.5 375 266 A 46 LYS HBx A 46 LYS HE3 1.0 1.8 5.5 376 267 A 46 LYS HBy A 46 LYS HE2 1.0 1.8 5.5 377 267 A 46 LYS HBy A 46 LYS HE3 1.0 1.8 5.5 378 268 A 47 ASP HA A 47 ASP HBx 1.0 1.8 5.5 379 269 A 47 ASP HBy A 47 ASP HA 1.0 1.8 5.5 380 270 A 47 ASP HBx A 45 TYR HE% 1.0 1.8 5.5 381 271 A 47 ASP HBy A 45 TYR HE% 1.0 1.8 5.5 382 272 A 47 ASP HA A 47 ASP HBx 1.0 1.8 5.5 383 273 A 47 ASP HBy A 47 ASP HA 1.0 1.8 5.5 384 274 A 47 ASP HBy A 47 ASP HBx 1.0 1.8 3.0 385 275 A 48 GLU HA A 48 GLU HB2 1.0 1.8 5.5 386 275 A 48 GLU HA A 48 GLU HB3 1.0 1.8 5.5 387 276 A 48 GLU HA A 48 GLU HG2 1.0 1.8 5.5 388 276 A 48 GLU HA A 48 GLU HG3 1.0 1.8 5.5 389 277 A 48 GLU HA A 48 GLU HB2 1.0 1.8 3.0 390 277 A 48 GLU HA A 48 GLU HB3 1.0 1.8 3.0 391 278 A 48 GLU HA A 48 GLU HG2 1.0 1.8 5.5 392 278 A 48 GLU HA A 48 GLU HG3 1.0 1.8 5.5 393 279 A 48 GLU HB3 A 48 GLU HG2 1.0 1.8 3.0 394 279 A 48 GLU HG3 A 48 GLU HB2 1.0 1.8 3.0 395 279 A 48 GLU HB3 A 48 GLU HG3 1.0 1.8 3.0 396 279 A 48 GLU HB2 A 48 GLU HG2 1.0 1.8 3.0 397 280 A 49 ILE HA A 49 ILE HB 1.0 1.8 5.5 398 281 A 49 ILE HA A 49 ILE HD1% 1.0 1.8 4.0 399 282 A 49 ILE HA A 49 ILE HG2% 1.0 1.8 4.0 400 283 A 49 ILE HA A 49 ILE HB 1.0 1.8 5.5 401 284 A 49 ILE HB A 49 ILE HD1% 1.0 1.8 4.0 402 285 A 49 ILE HB A 49 ILE HG2% 1.0 1.8 4.0 403 286 A 49 ILE HA A 49 ILE HD1% 1.0 1.8 5.5 404 287 A 49 ILE HB A 49 ILE HD1% 1.0 1.8 5.5 405 288 A 49 ILE HD1% A 49 ILE HG2% 1.0 1.8 3.0 406 289 A 49 ILE HA A 49 ILE HG2% 1.0 1.8 5.5 407 290 A 49 ILE HB A 49 ILE HG2% 1.0 1.8 4.0 408 291 A 49 ILE HD1% A 49 ILE HG2% 1.0 1.8 3.0 409 292 A 50 LYS HA A 50 LYS HB2 1.0 1.8 3.0 410 292 A 50 LYS HA A 50 LYS HB3 1.0 1.8 3.0 411 293 A 50 LYS HA A 50 LYS HE2 1.0 1.8 4.0 412 293 A 50 LYS HA A 50 LYS HE3 1.0 1.8 4.0 413 294 A 50 LYS HA A 50 LYS HB2 1.0 1.8 4.0 414 294 A 50 LYS HA A 50 LYS HB3 1.0 1.8 4.0 415 295 A 50 LYS HB2 A 50 LYS HE2 1.0 1.8 5.5 416 295 A 50 LYS HB3 A 50 LYS HE2 1.0 1.8 5.5 417 295 A 50 LYS HE3 A 50 LYS HB2 1.0 1.8 5.5 418 295 A 50 LYS HB3 A 50 LYS HE3 1.0 1.8 5.5 419 296 A 51 THR HA A 4 LYS HBy 1.0 2.8 6.0 420 297 A 51 THR HA A 51 THR HG2% 1.0 1.8 5.5 421 298 A 51 THR HG2% A 51 THR HB 1.0 1.8 5.5 422 299 A 51 THR HG2% A 51 THR HB 1.0 1.8 5.5 423 300 A 45 TYR HA A 52 PHE HA 1.0 1.8 5.5 424 301 A 52 PHE HA A 45 TYR HE% 1.0 1.8 5.5 425 302 A 52 PHE HA A 52 PHE HBy 1.0 1.8 5.5 426 303 A 43 TRP HZ3 A 52 PHE HBy 1.0 1.8 5.5 427 304 A 45 TYR HA A 52 PHE HBx 1.0 1.8 5.5 428 305 A 45 TYR HA A 52 PHE HBx 1.0 1.8 5.5 429 306 A 45 TYR HA A 52 PHE HBy 1.0 1.8 5.5 430 307 A 52 PHE HD% A 52 PHE HBx 1.0 1.8 5.5 431 308 A 6 ILE HB A 53 THR HA 1.0 1.8 5.5 432 309 A 53 THR HA A 53 THR HG2% 1.0 1.8 5.5 433 310 A 53 THR HG2% A 53 THR HB 1.0 1.8 5.5 434 311 A 6 ILE HA A 53 THR HG2% 1.0 1.8 4.0 435 312 A 54 VAL HA A 54 VAL HB 1.0 1.8 5.5 436 313 A 54 VAL HGx% A 54 VAL HA 1.0 2.8 6.0 437 314 A 54 VAL HA A 54 VAL HGy% 1.0 1.8 5.5 438 315 A 5 LEU HDy% A 54 VAL HB 1.0 1.8 5.5 439 316 A 42 VAL HB A 55 THR HB 1.0 1.8 5.5 440 317 A 42 VAL HGx% A 55 THR HB 1.0 1.8 5.5 441 318 A 55 THR HG2% A 55 THR HB 1.0 1.8 5.5 442 319 A 55 THR HA A 55 THR HG2% 1.0 1.8 4.0 443 320 A 55 THR HG2% A 55 THR HB 1.0 1.8 3.0 444 321 A 41 GLY HAy A 56 GLU HA 1.0 1.8 5.5 445 322 A 56 GLU HA A 56 GLU HBx 1.0 1.8 5.5 446 323 A 9 LEU HA A 56 GLU HBx 1.0 1.8 5.5 447 324 A 9 LEU HA A 56 GLU HBy 1.0 1.8 5.5 448 325 A 56 GLU HA A 56 GLU HBx 1.0 1.8 5.5 449 326 A 56 GLU HA A 56 GLU HBy 1.0 1.8 5.5 450 327 A 1 THR HG2% A 2 THR H 1.0 1.8 5.5 451 328 A 18 LYS H A 19 GLU H 1.0 1.8 4.0 452 329 A 27 GLU H A 26 ALA H 1.0 1.8 4.0 453 330 A 27 GLU H A 24 GLY H 1.0 1.8 4.0 454 331 A 27 GLU H A 28 LYS H 1.0 1.8 5.5 455 332 A 26 ALA H A 28 LYS H 1.0 1.8 4.0 456 333 A 27 GLU H A 28 LYS H 1.0 1.8 4.0 457 334 A 32 LEU H A 31 LYS H 1.0 1.8 4.0 458 335 A 48 GLU H A 47 ASP H 1.0 1.8 5.5 459 336 A 45 TYR HE% A 48 GLU H 1.0 1.8 5.5 460 337 A 4 LYS H A 52 PHE H 1.0 2.8 6.0 461 338 A 8 ASN HBy A 8 ASN H 1.0 2.8 6.0 462 339 A 8 ASN H A 7 LEU HBy 1.0 2.8 6.0 463 340 A 10 LYS H A 11 GLN H 1.0 2.8 6.0 464 341 A 16 ALA H A 17 ILE H 1.0 2.8 6.0 465 342 A 16 ALA H A 17 ILE H 1.0 2.8 6.0 466 343 A 19 GLU H A 20 LEU H 1.0 1.8 4.0 467 344 A 21 VAL HB A 22 ASP H 1.0 2.8 6.0 468 345 A 24 GLY H A 25 THR H 1.0 1.8 5.5 469 346 A 26 ALA H A 28 LYS H 1.0 1.8 4.0 470 347 A 31 LYS H A 29 TYR H 1.0 2.8 6.0 471 348 A 31 LYS H A 30 PHE HBx 1.0 2.8 6.0 472 349 A 45 TYR H A 44 THR H 1.0 2.8 6.0 473 350 A 46 LYS HBx A 47 ASP H 1.0 2.8 6.0 474 351 A 49 ILE H A 51 THR H 1.0 2.8 6.0 475 352 A 48 GLU H A 49 ILE H 1.0 1.8 5.5 476 353 A 55 THR H A 56 GLU H 1.0 2.8 6.0 477 354 A 55 THR H A 53 THR H 1.0 2.8 6.0 478 355 A 31 LYS H A 30 PHE HBy 1.0 1.8 4.0 479 356 A 2 THR HB A 2 THR H 1.0 1.8 4.0 480 357 A 2 THR HA A 3 TYR H 1.0 1.8 4.0 481 358 A 2 THR HG2% A 3 TYR H 1.0 1.8 4.0 482 359 A 3 TYR HA A 3 TYR H 1.0 2.8 6.0 483 360 A 3 TYR H A 3 TYR HBy 1.0 1.8 4.0 484 360 A 3 TYR H A 3 TYR HBx 1.0 1.8 4.0 485 361 A 3 TYR H A 3 TYR HD% 1.0 1.8 4.0 486 362 A 17 ILE HB A 3 TYR H 1.0 2.8 6.0 487 363 A 18 LYS H A 3 TYR H 1.0 1.8 5.5 488 364 A 19 GLU H A 3 TYR H 1.0 1.8 4.0 489 365 A 4 LYS H A 4 LYS HG2 1.0 2.8 6.0 490 365 A 4 LYS HG3 A 4 LYS H 1.0 2.8 6.0 491 366 A 4 LYS HA A 4 LYS H 1.0 1.8 4.0 492 367 A 4 LYS H A 4 LYS HBx 1.0 1.8 4.0 493 367 A 4 LYS H A 4 LYS HBy 1.0 1.8 4.0 494 368 A 30 PHE HE% A 4 LYS H 1.0 1.8 4.0 495 369 A 4 LYS HA A 5 LEU H 1.0 1.8 4.0 496 370 A 5 LEU H A 4 LYS HBx 1.0 2.8 6.0 497 370 A 4 LYS HBy A 5 LEU H 1.0 2.8 6.0 498 371 A 5 LEU H A 4 LYS HG2 1.0 1.8 4.0 499 371 A 4 LYS HG3 A 5 LEU H 1.0 1.8 4.0 500 372 A 5 LEU H A 5 LEU HA 1.0 2.8 6.0 501 373 A 5 LEU H A 5 LEU HBx 1.0 1.8 4.0 502 373 A 5 LEU H A 5 LEU HBy 1.0 1.8 4.0 503 374 A 30 PHE HE% A 5 LEU H 1.0 2.8 6.0 504 375 A 5 LEU HA A 6 ILE H 1.0 1.8 5.5 505 376 A 6 ILE H A 5 LEU HBx 1.0 1.8 4.0 506 376 A 5 LEU HBy A 6 ILE H 1.0 1.8 4.0 507 377 A 6 ILE HA A 6 ILE H 1.0 2.8 6.0 508 378 A 6 ILE HB A 6 ILE H 1.0 1.8 4.0 509 379 A 53 THR HA A 6 ILE H 1.0 1.8 4.0 510 380 A 7 LEU HA A 7 LEU H 1.0 1.8 4.0 511 381 A 7 LEU H A 7 LEU HBy 1.0 1.8 4.0 512 381 A 7 LEU H A 7 LEU HBx 1.0 1.8 4.0 513 382 A 7 LEU HDx% A 7 LEU H 1.0 1.8 4.0 514 383 A 7 LEU H A 14 GLU H 1.0 1.8 4.0 515 384 A 15 GLU HA A 7 LEU H 1.0 1.8 5.5 516 385 A 7 LEU HA A 8 ASN H 1.0 1.8 4.0 517 386 A 8 ASN H A 7 LEU HBy 1.0 2.8 6.0 518 386 A 8 ASN H A 7 LEU HBx 1.0 2.8 6.0 519 387 A 8 ASN HA A 8 ASN H 1.0 1.8 4.0 520 388 A 8 ASN HBx A 8 ASN H 1.0 1.8 4.0 521 389 A 54 VAL HB A 8 ASN H 1.0 1.8 4.0 522 390 A 8 ASN H A 54 VAL H 1.0 1.8 4.0 523 391 A 8 ASN H A 55 THR H 1.0 1.8 4.0 524 392 A 8 ASN HA A 9 LEU H 1.0 1.8 4.0 525 393 A 9 LEU HA A 9 LEU H 1.0 1.8 4.0 526 394 A 9 LEU H A 9 LEU HBy 1.0 1.8 5.5 527 394 A 9 LEU H A 9 LEU HBx 1.0 1.8 5.5 528 395 A 9 LEU HDx% A 9 LEU H 1.0 1.8 4.0 529 396 A 9 LEU HG A 9 LEU H 1.0 1.8 4.0 530 397 A 9 LEU HA A 10 LYS H 1.0 1.8 4.0 531 398 A 10 LYS HA A 10 LYS H 1.0 1.8 5.5 532 399 A 10 LYS H A 10 LYS HB2 1.0 1.8 4.0 533 399 A 10 LYS HB3 A 10 LYS H 1.0 1.8 4.0 534 400 A 10 LYS H A 10 LYS HG2 1.0 1.8 4.0 535 400 A 10 LYS HG3 A 10 LYS H 1.0 1.8 4.0 536 401 A 11 GLN HA A 11 GLN H 1.0 1.8 4.0 537 402 A 11 GLN HBx A 11 GLN H 1.0 1.8 4.0 538 403 A 11 GLN HBy A 11 GLN H 1.0 1.8 4.0 539 404 A 11 GLN H A 12 ALA H 1.0 1.8 4.0 540 405 A 11 GLN HBy A 12 ALA H 1.0 1.8 4.0 541 406 A 11 GLN H A 12 ALA H 1.0 1.8 4.0 542 407 A 12 ALA HA A 12 ALA H 1.0 1.8 4.0 543 408 A 12 ALA HB% A 12 ALA H 1.0 1.8 4.0 544 409 A 12 ALA HA A 13 LYS H 1.0 1.8 3.0 545 410 A 13 LYS H A 13 LYS HB2 1.0 1.8 3.0 546 410 A 13 LYS HB3 A 13 LYS H 1.0 1.8 3.0 547 411 A 13 LYS H A 13 LYS HG2 1.0 1.8 4.0 548 411 A 13 LYS HG3 A 13 LYS H 1.0 1.8 4.0 549 412 A 7 LEU HA A 14 GLU H 1.0 1.8 4.0 550 413 A 8 ASN H A 14 GLU H 1.0 2.8 6.0 551 414 A 14 GLU H A 9 LEU H 1.0 1.8 5.5 552 415 A 13 LYS HA A 14 GLU H 1.0 1.8 4.0 553 416 A 14 GLU HA A 14 GLU H 1.0 1.8 4.0 554 417 A 14 GLU HBx A 14 GLU H 1.0 1.8 4.0 555 418 A 14 GLU HBy A 14 GLU H 1.0 1.8 4.0 556 419 A 14 GLU HBx A 15 GLU H 1.0 1.8 3.0 557 420 A 15 GLU HA A 16 ALA H 1.0 1.8 4.0 558 421 A 16 ALA HB% A 16 ALA H 1.0 1.8 4.0 559 422 A 16 ALA HA A 17 ILE H 1.0 1.8 4.0 560 423 A 16 ALA HB% A 17 ILE H 1.0 1.8 4.0 561 424 A 17 ILE HA A 17 ILE H 1.0 2.8 6.0 562 425 A 17 ILE HB A 17 ILE H 1.0 1.8 4.0 563 426 A 17 ILE HG2% A 17 ILE H 1.0 1.8 4.0 564 427 A 30 PHE HE% A 17 ILE H 1.0 2.8 6.0 565 428 A 17 ILE HA A 18 LYS H 1.0 1.8 4.0 566 429 A 17 ILE HB A 18 LYS H 1.0 1.8 5.5 567 430 A 18 LYS HBy A 18 LYS H 1.0 1.8 5.5 568 431 A 18 LYS H A 18 LYS HD2 1.0 1.8 4.0 569 431 A 18 LYS HD3 A 18 LYS H 1.0 1.8 4.0 570 432 A 19 GLU HA A 18 LYS H 1.0 2.8 6.0 571 433 A 30 PHE HE% A 18 LYS H 1.0 2.8 6.0 572 434 A 17 ILE HG2% A 19 GLU H 1.0 2.8 6.0 573 435 A 18 LYS HA A 19 GLU H 1.0 1.8 4.0 574 436 A 18 LYS HBy A 19 GLU H 1.0 1.8 5.5 575 437 A 19 GLU H A 19 GLU HB2 1.0 1.8 4.0 576 437 A 19 GLU HB3 A 19 GLU H 1.0 1.8 4.0 577 438 A 20 LEU H A 3 TYR HD% 1.0 1.8 4.0 578 439 A 19 GLU HA A 20 LEU H 1.0 1.8 4.0 579 440 A 20 LEU HA A 20 LEU H 1.0 1.8 4.0 580 441 A 20 LEU H A 20 LEU HB2 1.0 1.8 4.0 581 441 A 20 LEU HB3 A 20 LEU H 1.0 1.8 4.0 582 442 A 20 LEU H A 20 LEU HDx% 1.0 1.8 4.0 583 443 A 21 VAL H A 20 LEU HB2 1.0 1.8 4.0 584 443 A 20 LEU HB3 A 21 VAL H 1.0 1.8 4.0 585 444 A 21 VAL HA A 21 VAL H 1.0 1.8 4.0 586 445 A 21 VAL HB A 21 VAL H 1.0 1.8 4.0 587 446 A 21 VAL HGx% A 21 VAL H 1.0 1.8 4.0 588 447 A 22 ASP H A 21 VAL H 1.0 1.8 4.0 589 448 A 21 VAL HA A 22 ASP H 1.0 1.8 4.0 590 449 A 22 ASP H A 21 VAL H 1.0 1.8 4.0 591 450 A 22 ASP HA A 22 ASP H 1.0 1.8 4.0 592 451 A 22 ASP H A 23 ALA HB% 1.0 2.8 6.0 593 452 A 22 ASP H A 23 ALA H 1.0 1.8 4.0 594 453 A 24 GLY H A 23 ALA HA 1.0 1.8 4.0 595 454 A 24 GLY H A 23 ALA HB% 1.0 1.8 4.0 596 455 A 24 GLY H A 24 GLY HA2 1.0 1.8 3.0 597 455 A 24 GLY HA3 A 24 GLY H 1.0 1.8 3.0 598 456 A 25 THR HA A 25 THR H 1.0 1.8 3.0 599 457 A 25 THR HG2% A 25 THR H 1.0 1.8 4.0 600 458 A 26 ALA H A 25 THR H 1.0 2.8 6.0 601 459 A 27 GLU H A 25 THR H 1.0 1.8 4.0 602 460 A 26 ALA H A 23 ALA HB% 1.0 1.8 5.5 603 461 A 25 THR HB A 26 ALA H 1.0 1.8 4.0 604 462 A 26 ALA H A 25 THR H 1.0 1.8 4.0 605 463 A 26 ALA H A 26 ALA HA 1.0 1.8 4.0 606 464 A 26 ALA HB% A 26 ALA H 1.0 1.8 4.0 607 465 A 27 GLU H A 26 ALA HA 1.0 1.8 4.0 608 466 A 27 GLU HA A 27 GLU H 1.0 1.8 4.0 609 467 A 52 PHE HE% A 27 GLU H 1.0 2.8 6.0 610 468 A 28 LYS HA A 28 LYS H 1.0 1.8 4.0 611 469 A 28 LYS H A 28 LYS HB2 1.0 1.8 4.0 612 469 A 28 LYS HB3 A 28 LYS H 1.0 1.8 4.0 613 470 A 28 LYS H A 30 PHE H 1.0 1.8 4.0 614 471 A 29 TYR H A 28 LYS HB2 1.0 1.8 4.0 615 471 A 28 LYS HB3 A 29 TYR H 1.0 1.8 4.0 616 472 A 29 TYR HA A 29 TYR H 1.0 1.8 4.0 617 473 A 29 TYR HBx A 29 TYR H 1.0 1.8 4.0 618 474 A 29 TYR HBy A 29 TYR H 1.0 1.8 4.0 619 475 A 29 TYR H A 30 PHE H 1.0 1.8 4.0 620 476 A 29 TYR H A 30 PHE H 1.0 2.8 6.0 621 477 A 30 PHE HA A 30 PHE H 1.0 1.8 4.0 622 478 A 30 PHE H A 30 PHE HBx 1.0 1.8 4.0 623 478 A 30 PHE H A 30 PHE HBy 1.0 1.8 4.0 624 479 A 30 PHE HD% A 30 PHE H 1.0 2.8 6.0 625 480 A 31 LYS HA A 31 LYS H 1.0 1.8 4.0 626 481 A 31 LYS H A 31 LYS HG2 1.0 1.8 4.0 627 481 A 31 LYS HG3 A 31 LYS H 1.0 1.8 4.0 628 482 A 30 PHE HA A 32 LEU H 1.0 2.8 6.0 629 483 A 32 LEU HA A 32 LEU H 1.0 1.8 4.0 630 484 A 32 LEU H A 32 LEU HBy 1.0 1.8 4.0 631 484 A 32 LEU H A 32 LEU HBx 1.0 1.8 4.0 632 485 A 32 LEU HDx% A 32 LEU H 1.0 2.8 6.0 633 486 A 30 PHE HA A 33 ILE H 1.0 2.8 6.0 634 487 A 32 LEU HA A 33 ILE H 1.0 2.8 6.0 635 488 A 33 ILE H A 32 LEU HBy 1.0 2.8 6.0 636 489 A 33 ILE HA A 33 ILE H 1.0 2.8 6.0 637 490 A 33 ILE HB A 33 ILE H 1.0 1.8 4.0 638 491 A 33 ILE HD1% A 33 ILE H 1.0 1.8 4.0 639 492 A 33 ILE H A 34 ALA H 1.0 2.8 6.0 640 493 A 31 LYS HA A 34 ALA H 1.0 1.8 4.0 641 494 A 33 ILE HB A 34 ALA H 1.0 1.8 4.0 642 495 A 34 ALA HA A 34 ALA H 1.0 1.8 4.0 643 496 A 34 ALA HB% A 34 ALA H 1.0 1.8 4.0 644 497 A 32 LEU HA A 35 ASN H 1.0 1.8 5.5 645 498 A 34 ALA HB% A 35 ASN H 1.0 1.8 4.0 646 499 A 35 ASN HA A 35 ASN H 1.0 1.8 4.0 647 500 A 35 ASN H A 35 ASN HB2 1.0 1.8 4.0 648 500 A 35 ASN HB3 A 35 ASN H 1.0 1.8 4.0 649 501 A 33 ILE HA A 36 ALA H 1.0 2.8 6.0 650 502 A 35 ASN H A 36 ALA H 1.0 1.8 4.0 651 503 A 36 ALA HA A 36 ALA H 1.0 1.8 5.5 652 504 A 37 LYS HA A 37 LYS H 1.0 1.8 4.0 653 505 A 37 LYS H A 37 LYS HB2 1.0 1.8 5.5 654 505 A 37 LYS HB3 A 37 LYS H 1.0 1.8 5.5 655 506 A 37 LYS H A 37 LYS HG2 1.0 1.8 4.0 656 506 A 37 LYS HG3 A 37 LYS H 1.0 1.8 4.0 657 507 A 37 LYS H A 38 THR H 1.0 1.8 4.0 658 508 A 38 THR H A 37 LYS HB2 1.0 1.8 4.0 659 508 A 37 LYS HB3 A 38 THR H 1.0 1.8 4.0 660 509 A 37 LYS H A 38 THR H 1.0 1.8 4.0 661 510 A 38 THR HA A 38 THR H 1.0 1.8 4.0 662 511 A 38 THR HG2% A 38 THR H 1.0 1.8 4.0 663 512 A 39 VAL HA A 39 VAL H 1.0 1.8 3.0 664 513 A 39 VAL HB A 39 VAL H 1.0 1.8 4.0 665 514 A 39 VAL HA A 40 GLU H 1.0 1.8 4.0 666 515 A 39 VAL H A 40 GLU H 1.0 1.8 4.0 667 516 A 40 GLU HA A 40 GLU H 1.0 2.8 6.0 668 517 A 40 GLU HBx A 40 GLU H 1.0 1.8 5.5 669 518 A 40 GLU HBy A 40 GLU H 1.0 1.8 4.0 670 519 A 40 GLU HA A 41 GLY H 1.0 1.8 4.0 671 520 A 40 GLU HBx A 41 GLY H 1.0 1.8 4.0 672 521 A 40 GLU HBy A 41 GLY H 1.0 2.8 6.0 673 522 A 40 GLU H A 41 GLY H 1.0 1.8 4.0 674 523 A 41 GLY HAx A 41 GLY H 1.0 1.8 4.0 675 524 A 41 GLY HAy A 41 GLY H 1.0 1.8 4.0 676 525 A 41 GLY H A 42 VAL H 1.0 1.8 4.0 677 526 A 41 GLY HAx A 42 VAL H 1.0 1.8 3.0 678 527 A 42 VAL HA A 42 VAL H 1.0 1.8 4.0 679 528 A 42 VAL HB A 42 VAL H 1.0 1.8 3.0 680 529 A 42 VAL HGx% A 42 VAL H 1.0 1.8 4.0 681 530 A 42 VAL HA A 43 TRP H 1.0 1.8 4.0 682 531 A 42 VAL HGx% A 43 TRP H 1.0 1.8 4.0 683 532 A 42 VAL H A 43 TRP H 1.0 1.8 5.5 684 533 A 43 TRP HA A 43 TRP H 1.0 2.8 6.0 685 534 A 43 TRP H A 43 TRP HBx 1.0 1.8 4.0 686 534 A 43 TRP H A 43 TRP HBy 1.0 1.8 4.0 687 535 A 43 TRP HD1 A 43 TRP H 1.0 1.8 4.0 688 536 A 43 TRP HA A 44 THR H 1.0 1.8 4.0 689 537 A 44 THR H A 43 TRP HBx 1.0 1.8 4.0 690 537 A 44 THR H A 43 TRP HBy 1.0 1.8 4.0 691 538 A 44 THR H A 43 TRP H 1.0 2.8 6.0 692 539 A 44 THR HA A 44 THR H 1.0 1.8 4.0 693 540 A 44 THR HB A 44 THR H 1.0 1.8 4.0 694 541 A 44 THR HG2% A 44 THR H 1.0 1.8 4.0 695 542 A 54 VAL HA A 44 THR H 1.0 2.8 6.0 696 543 A 44 THR HA A 45 TYR H 1.0 1.8 4.0 697 544 A 44 THR HB A 45 TYR H 1.0 1.8 4.0 698 545 A 44 THR HG2% A 45 TYR H 1.0 1.8 4.0 699 546 A 45 TYR HA A 45 TYR H 1.0 1.8 4.0 700 547 A 45 TYR HBx A 45 TYR H 1.0 1.8 5.5 701 548 A 45 TYR HBy A 45 TYR H 1.0 1.8 5.5 702 549 A 45 TYR HA A 46 LYS H 1.0 1.8 4.0 703 550 A 46 LYS HA A 46 LYS H 1.0 2.8 6.0 704 551 A 46 LYS HBx A 46 LYS H 1.0 2.8 6.0 705 552 A 46 LYS HBy A 46 LYS H 1.0 1.8 4.0 706 553 A 46 LYS HA A 47 ASP H 1.0 1.8 4.0 707 554 A 47 ASP H A 46 LYS H 1.0 2.8 6.0 708 555 A 47 ASP HA A 47 ASP H 1.0 1.8 4.0 709 556 A 47 ASP HBx A 47 ASP H 1.0 1.8 4.0 710 557 A 47 ASP HBy A 47 ASP H 1.0 1.8 4.0 711 558 A 46 LYS HBy A 48 GLU H 1.0 2.8 6.0 712 559 A 48 GLU HA A 48 GLU H 1.0 1.8 4.0 713 560 A 48 GLU H A 48 GLU HB2 1.0 1.8 4.0 714 560 A 48 GLU HB3 A 48 GLU H 1.0 1.8 4.0 715 561 A 48 GLU H A 48 GLU HG2 1.0 1.8 4.0 716 561 A 48 GLU HG3 A 48 GLU H 1.0 1.8 4.0 717 562 A 47 ASP H A 49 ILE H 1.0 2.8 6.0 718 563 A 48 GLU HA A 49 ILE H 1.0 1.8 4.0 719 564 A 49 ILE H A 48 GLU HB2 1.0 1.8 4.0 720 564 A 48 GLU HB3 A 49 ILE H 1.0 1.8 4.0 721 565 A 49 ILE HA A 49 ILE H 1.0 1.8 5.5 722 566 A 49 ILE HB A 49 ILE H 1.0 1.8 4.0 723 567 A 49 ILE HD1% A 49 ILE H 1.0 1.8 4.0 724 568 A 49 ILE H A 50 LYS H 1.0 1.8 4.0 725 569 A 49 ILE HA A 50 LYS H 1.0 1.8 5.5 726 570 A 49 ILE HD1% A 50 LYS H 1.0 1.8 4.0 727 571 A 49 ILE H A 50 LYS H 1.0 1.8 4.0 728 572 A 50 LYS HA A 50 LYS H 1.0 1.8 4.0 729 573 A 50 LYS H A 50 LYS HB2 1.0 1.8 4.0 730 573 A 50 LYS HB3 A 50 LYS H 1.0 1.8 4.0 731 574 A 50 LYS H A 50 LYS HE2 1.0 1.8 4.0 732 574 A 50 LYS HE3 A 50 LYS H 1.0 1.8 4.0 733 575 A 51 THR H A 50 LYS H 1.0 1.8 4.0 734 576 A 45 TYR HE% A 51 THR H 1.0 2.8 6.0 735 577 A 50 LYS HA A 51 THR H 1.0 1.8 4.0 736 578 A 51 THR HB A 51 THR H 1.0 2.8 6.0 737 579 A 51 THR HG2% A 51 THR H 1.0 1.8 4.0 738 580 A 52 PHE HD% A 51 THR H 1.0 2.8 6.0 739 581 A 30 PHE HE% A 52 PHE H 1.0 2.8 6.0 740 582 A 51 THR HG2% A 52 PHE H 1.0 1.8 4.0 741 583 A 52 PHE HA A 52 PHE H 1.0 1.8 4.0 742 584 A 52 PHE H A 52 PHE HBx 1.0 1.8 4.0 743 584 A 52 PHE H A 52 PHE HBy 1.0 1.8 4.0 744 585 A 52 PHE HD% A 52 PHE H 1.0 1.8 4.0 745 586 A 52 PHE HA A 53 THR H 1.0 1.8 4.0 746 587 A 53 THR H A 52 PHE HBx 1.0 2.8 6.0 747 587 A 53 THR H A 52 PHE HBy 1.0 2.8 6.0 748 588 A 53 THR HA A 53 THR H 1.0 2.8 6.0 749 589 A 53 THR HB A 53 THR H 1.0 1.8 4.0 750 590 A 53 THR HG2% A 53 THR H 1.0 2.8 6.0 751 591 A 6 ILE H A 54 VAL H 1.0 2.8 6.0 752 592 A 53 THR HA A 54 VAL H 1.0 1.8 4.0 753 593 A 53 THR HB A 54 VAL H 1.0 2.8 6.0 754 594 A 54 VAL HA A 54 VAL H 1.0 1.8 4.0 755 595 A 54 VAL HB A 54 VAL H 1.0 1.8 4.0 756 596 A 54 VAL HGy% A 54 VAL H 1.0 1.8 5.5 757 597 A 54 VAL HA A 55 THR H 1.0 1.8 4.0 758 598 A 55 THR HA A 55 THR H 1.0 2.8 6.0 759 599 A 55 THR HB A 55 THR H 1.0 1.8 4.0 760 600 A 55 THR HA A 56 GLU H 1.0 1.8 4.0 761 601 A 55 THR HG2% A 56 GLU H 1.0 1.8 4.0 762 602 A 56 GLU HA A 56 GLU H 1.0 1.8 4.0 763 603 A 56 GLU H A 56 GLU HBx 1.0 1.8 4.0 764 603 A 56 GLU H A 56 GLU HBy 1.0 1.8 4.0 765 604 A 3 TYR HD% A 3 TYR HBy 1.0 1.8 3.0 766 604 A 3 TYR HBx A 3 TYR HD% 1.0 1.8 3.0 767 605 A 3 TYR HD% A 26 ALA HA 1.0 2.8 6.0 768 606 A 26 ALA HB% A 29 TYR HD% 1.0 2.8 6.0 769 607 A 52 PHE HD% A 28 LYS H 1.0 2.8 6.0 770 608 A 29 TYR HBx A 29 TYR HD% 1.0 1.8 3.0 771 609 A 29 TYR HBy A 29 TYR HD% 1.0 1.8 3.0 772 610 A 3 TYR HD% A 30 PHE HBx 1.0 2.8 6.0 773 610 A 3 TYR HD% A 30 PHE HBy 1.0 2.8 6.0 774 611 A 30 PHE HBy A 29 TYR HD% 1.0 2.8 6.0 775 612 A 30 PHE HD% A 3 TYR HD% 1.0 2.8 6.0 776 613 A 30 PHE HD% A 52 PHE HD% 1.0 2.8 6.0 777 614 A 31 LYS HA A 43 TRP HZ2 1.0 2.8 5.0 778 615 A 43 TRP HZ2 A 31 LYS HG2 1.0 2.8 5.0 779 615 A 31 LYS HG3 A 43 TRP HZ2 1.0 2.8 5.0 780 616 A 41 GLY HAy A 43 TRP HD1 1.0 2.8 6.0 781 617 A 43 TRP HD1 A 43 TRP HBx 1.0 2.8 5.0 782 617 A 43 TRP HD1 A 43 TRP HBy 1.0 2.8 5.0 783 618 A 43 TRP HZ2 A 43 TRP HBx 1.0 2.8 6.0 784 618 A 43 TRP HZ2 A 43 TRP HBy 1.0 2.8 6.0 785 619 A 45 TYR HBy A 45 TYR HE% 1.0 2.8 6.0 786 620 A 52 PHE HE% A 45 TYR HE% 1.0 1.8 4.0 787 621 A 3 TYR HD% A 50 LYS HB2 1.0 2.8 6.0 788 621 A 50 LYS HB3 A 3 TYR HD% 1.0 2.8 6.0 789 622 A 52 PHE HA A 45 TYR HE% 1.0 1.8 4.0 790 623 A 52 PHE HD% A 52 PHE HBx 1.0 1.8 3.0 791 623 A 52 PHE HD% A 52 PHE HBy 1.0 1.8 3.0 792 624 A 52 PHE HE% A 52 PHE HBx 1.0 2.8 6.0 793 624 A 52 PHE HE% A 52 PHE HBy 1.0 2.8 6.0 794 625 A 52 PHE HD% A 3 TYR HD% 1.0 2.8 6.0 795 626 A 52 PHE HE% A 3 TYR HD% 1.0 2.8 6.0 796 627 A 52 PHE HE% A 45 TYR HE% 1.0 2.8 5.0 797 628 A 45 TYR HE% A 47 ASP H 1.0 2.8 6.0 798 629 A 52 PHE HE% A 45 TYR HBx 1.0 2.8 5.0 799 630 A 52 PHE HE% A 45 TYR HBx 1.0 2.8 6.0 800 631 A 30 PHE HD% A 52 PHE HBx 1.0 2.8 6.0 801 631 A 30 PHE HD% A 52 PHE HBy 1.0 2.8 6.0 802 632 A 30 PHE HE% A 5 LEU HBx 1.0 2.8 6.0 803 632 A 30 PHE HE% A 5 LEU HBy 1.0 2.8 6.0 804 633 A 27 GLU HA A 52 PHE HE% 1.0 2.8 6.0 805 634 A 27 GLU HA A 52 PHE HD% 1.0 2.8 6.0 806 635 A 22 ASP HA A 3 TYR HD% 1.0 2.8 6.0 807 636 A 43 TRP HZ2 A 34 ALA HA 1.0 2.8 6.0 808 637 A 43 TRP HZ2 A 34 ALA HB% 1.0 2.8 6.0 809 638 A 43 TRP HD1 A 41 GLY H 1.0 2.8 6.0 810 639 A 54 VAL HGy% A 43 TRP HE1 1.0 2.8 6.0 811 640 A 34 ALA H A 43 TRP HH2 1.0 2.8 6.0 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 hbond _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 27 GLU H A 23 ALA O 1.0 1.5 2.5 2 2 A 23 ALA O A 27 GLU N 1.0 2.3 3.2 3 3 A 28 LYS H A 24 GLY O 1.0 1.5 2.5 4 4 A 24 GLY O A 28 LYS N 1.0 2.3 3.2 5 5 A 29 TYR H A 25 THR O 1.0 1.5 2.5 6 6 A 25 THR O A 29 TYR N 1.0 2.3 3.2 7 7 A 30 PHE H A 26 ALA O 1.0 1.5 2.5 8 8 A 26 ALA O A 30 PHE N 1.0 2.3 3.2 9 9 A 31 LYS H A 27 GLU O 1.0 1.5 2.5 10 10 A 27 GLU O A 31 LYS N 1.0 2.3 3.2 11 11 A 32 LEU H A 28 LYS O 1.0 1.5 2.5 12 12 A 28 LYS O A 32 LEU N 1.0 2.3 3.2 13 13 A 33 ILE H A 29 TYR O 1.0 1.5 2.5 14 14 A 29 TYR O A 33 ILE N 1.0 2.3 3.2 15 15 A 34 ALA H A 30 PHE O 1.0 1.5 2.5 16 16 A 30 PHE O A 34 ALA N 1.0 2.3 3.2 17 17 A 35 ASN H A 31 LYS O 1.0 1.5 2.5 18 18 A 31 LYS O A 35 ASN N 1.0 2.3 3.2 19 19 A 36 ALA H A 32 LEU O 1.0 1.5 2.5 20 20 A 32 LEU O A 36 ALA N 1.0 2.3 3.2 21 21 A 37 LYS H A 33 ILE O 1.0 1.5 2.5 22 22 A 33 ILE O A 37 LYS N 1.0 2.3 3.2 23 23 A 14 GLU H A 7 LEU O 1.0 1.5 2.5 24 24 A 7 LEU O A 14 GLU N 1.0 2.3 3.2 25 25 A 7 LEU H A 14 GLU O 1.0 1.5 2.5 26 26 A 14 GLU O A 7 LEU N 1.0 2.3 3.2 27 27 A 16 ALA H A 5 LEU O 1.0 1.5 2.5 28 28 A 5 LEU O A 16 ALA N 1.0 2.3 3.2 29 29 A 5 LEU H A 16 ALA O 1.0 1.5 2.5 30 30 A 16 ALA O A 5 LEU N 1.0 2.3 3.2 31 31 A 18 LYS H A 3 TYR O 1.0 1.5 2.5 32 32 A 3 TYR O A 18 LYS N 1.0 2.3 3.2 33 33 A 3 TYR H A 18 LYS O 1.0 1.5 2.5 34 34 A 18 LYS O A 3 TYR N 1.0 2.3 3.2 35 35 A 20 LEU H A 1 THR O 1.0 1.5 2.5 36 36 A 1 THR O A 20 LEU N 1.0 2.3 3.2 37 37 A 20 LEU O A 1 THR N 1.0 2.3 3.2 38 38 A 8 ASN H A 54 VAL O 1.0 1.5 2.5 39 39 A 54 VAL O A 8 ASN N 1.0 2.3 3.2 40 40 A 56 GLU H A 8 ASN O 1.0 1.5 2.5 41 41 A 8 ASN O A 56 GLU N 1.0 2.3 3.2 42 42 A 54 VAL H A 6 ILE O 1.0 1.5 2.5 43 43 A 6 ILE O A 54 VAL N 1.0 2.3 3.2 44 44 A 6 ILE H A 52 PHE O 1.0 1.5 2.5 45 45 A 52 PHE O A 6 ILE N 1.0 2.3 3.2 46 46 A 52 PHE H A 4 LYS O 1.0 1.5 2.5 47 47 A 4 LYS O A 52 PHE N 1.0 2.3 3.2 48 48 A 4 LYS H A 50 LYS O 1.0 1.5 2.5 49 49 A 50 LYS O A 4 LYS N 1.0 2.3 3.2 50 50 A 51 THR H A 46 LYS O 1.0 1.5 2.5 51 51 A 46 LYS O A 51 THR N 1.0 2.3 3.2 52 52 A 46 LYS H A 51 THR O 1.0 1.5 2.5 53 53 A 51 THR O A 46 LYS N 1.0 2.3 3.2 54 54 A 53 THR H A 44 THR O 1.0 1.5 2.5 55 55 A 44 THR O A 53 THR N 1.0 2.3 3.2 56 56 A 44 THR H A 53 THR O 1.0 1.5 2.5 57 57 A 53 THR O A 44 THR N 1.0 2.3 3.2 58 58 A 55 THR H A 42 VAL O 1.0 1.5 2.5 59 59 A 42 VAL O A 55 THR N 1.0 2.3 3.2 60 60 A 42 VAL H A 55 THR O 1.0 1.5 2.5 61 61 A 55 THR O A 42 VAL N 1.0 2.3 3.2 62 62 A 38 THR H A 34 ALA O 1.0 1.5 2.8 63 63 A 34 ALA O A 38 THR N 1.0 2.3 3.5 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 A 1 THR C A 2 THR N A 2 THR CA A 2 THR C 1.0 -125.7 -68.1 PHI 2 2 A 2 THR N A 2 THR CA A 2 THR C A 3 TYR N 1.0 118.6 141.2 PSI 3 3 A 2 THR C A 3 TYR N A 3 TYR CA A 3 TYR C 1.0 -138.0 -88.0 PHI 4 4 A 3 TYR N A 3 TYR CA A 3 TYR C A 4 LYS N 1.0 120.5 160.5 PSI 5 5 A 3 TYR C A 4 LYS N A 4 LYS CA A 4 LYS C 1.0 -149.8 -99.8 PHI 6 6 A 4 LYS N A 4 LYS CA A 4 LYS C A 5 LEU N 1.0 126.2 166.2 PSI 7 7 A 4 LYS C A 5 LEU N A 5 LEU CA A 5 LEU C 1.0 -139.3 -89.3 PHI 8 8 A 5 LEU N A 5 LEU CA A 5 LEU C A 6 ILE N 1.0 107.6 147.6 PSI 9 9 A 5 LEU C A 6 ILE N A 6 ILE CA A 6 ILE C 1.0 -139.9 -89.9 PHI 10 10 A 6 ILE N A 6 ILE CA A 6 ILE C A 7 LEU N 1.0 100.1 140.1 PSI 11 11 A 6 ILE C A 7 LEU N A 7 LEU CA A 7 LEU C 1.0 -123.1 -73.1 PHI 12 12 A 7 LEU N A 7 LEU CA A 7 LEU C A 8 ASN N 1.0 102.1 142.1 PSI 13 13 A 7 LEU C A 8 ASN N A 8 ASN CA A 8 ASN C 1.0 -128.8 -78.8 PHI 14 14 A 8 ASN N A 8 ASN CA A 8 ASN C A 9 LEU N 1.0 115.9 158.3 PSI 15 15 A 12 ALA C A 13 LYS N A 13 LYS CA A 13 LYS C 1.0 -134.2 -82.2 PHI 16 16 A 13 LYS N A 13 LYS CA A 13 LYS C A 14 GLU N 1.0 121.0 163.4 PSI 17 17 A 14 GLU C A 15 GLU N A 15 GLU CA A 15 GLU C 1.0 -151.5 -101.5 PHI 18 18 A 15 GLU N A 15 GLU CA A 15 GLU C A 16 ALA N 1.0 112.5 154.9 PSI 19 19 A 16 ALA C A 17 ILE N A 17 ILE CA A 17 ILE C 1.0 -137.2 -87.2 PHI 20 20 A 17 ILE N A 17 ILE CA A 17 ILE C A 18 LYS N 1.0 115.6 158.0 PSI 21 21 A 17 ILE C A 18 LYS N A 18 LYS CA A 18 LYS C 1.0 -142.3 -92.3 PHI 22 22 A 18 LYS N A 18 LYS CA A 18 LYS C A 19 GLU N 1.0 108.0 150.4 PSI 23 23 A 18 LYS C A 19 GLU N A 19 GLU CA A 19 GLU C 1.0 -125.3 -75.3 PHI 24 24 A 19 GLU N A 19 GLU CA A 19 GLU C A 20 LEU N 1.0 106.1 148.5 PSI 25 25 A 19 GLU C A 20 LEU N A 20 LEU CA A 20 LEU C 1.0 -139.8 -89.8 PHI 26 26 A 20 LEU N A 20 LEU CA A 20 LEU C A 21 VAL N 1.0 118.2 193.6 PSI 27 27 A 20 LEU C A 21 VAL N A 21 VAL CA A 21 VAL C 1.0 -109.9 -59.9 PHI 28 28 A 21 VAL N A 21 VAL CA A 21 VAL C A 22 ASP N 1.0 -54.8 20.6 PSI 29 29 A 23 ALA C A 24 GLY N A 24 GLY CA A 24 GLY C 1.0 -89.9 -39.9 PHI 30 30 A 24 GLY N A 24 GLY CA A 24 GLY C A 25 THR N 1.0 -64.5 -21.9 PSI 31 31 A 24 GLY C A 25 THR N A 25 THR CA A 25 THR C 1.0 -93.6 -43.6 PHI 32 32 A 25 THR N A 25 THR CA A 25 THR C A 26 ALA N 1.0 -62.3 -19.9 PSI 33 33 A 25 THR C A 26 ALA N A 26 ALA CA A 26 ALA C 1.0 -86.2 -36.2 PHI 34 34 A 26 ALA N A 26 ALA CA A 26 ALA C A 27 GLU N 1.0 -63.2 -20.8 PSI 35 35 A 26 ALA C A 27 GLU N A 27 GLU CA A 27 GLU C 1.0 -88.4 -38.4 PHI 36 36 A 27 GLU N A 27 GLU CA A 27 GLU C A 28 LYS N 1.0 -60.7 -18.3 PSI 37 37 A 27 GLU C A 28 LYS N A 28 LYS CA A 28 LYS C 1.0 -87.3 -37.3 PHI 38 38 A 28 LYS N A 28 LYS CA A 28 LYS C A 29 TYR N 1.0 -61.1 -18.7 PSI 39 39 A 28 LYS C A 29 TYR N A 29 TYR CA A 29 TYR C 1.0 -99.6 -49.6 PHI 40 40 A 29 TYR N A 29 TYR CA A 29 TYR C A 30 PHE N 1.0 -53.6 -11.2 PSI 41 41 A 30 PHE C A 31 LYS N A 31 LYS CA A 31 LYS C 1.0 -85.3 -35.3 PHI 42 42 A 31 LYS N A 31 LYS CA A 31 LYS C A 32 LEU N 1.0 -59.7 -17.3 PSI 43 43 A 31 LYS C A 32 LEU N A 32 LEU CA A 32 LEU C 1.0 -87.8 -37.8 PHI 44 44 A 32 LEU N A 32 LEU CA A 32 LEU C A 33 ILE N 1.0 -62.3 -19.7 PSI 45 45 A 32 LEU C A 33 ILE N A 33 ILE CA A 33 ILE C 1.0 -91.7 -41.7 PHI 46 46 A 33 ILE N A 33 ILE CA A 33 ILE C A 34 ALA N 1.0 -63.1 -20.7 PSI 47 47 A 34 ALA C A 35 ASN N A 35 ASN CA A 35 ASN C 1.0 -86.6 -36.6 PHI 48 48 A 35 ASN N A 35 ASN CA A 35 ASN C A 36 ALA N 1.0 -61.2 -18.8 PSI 49 49 A 35 ASN C A 36 ALA N A 36 ALA CA A 36 ALA C 1.0 -96.8 -46.8 PHI 50 50 A 36 ALA N A 36 ALA CA A 36 ALA C A 37 LYS N 1.0 -46.4 -3.2 PSI 51 51 A 41 GLY C A 42 VAL N A 42 VAL CA A 42 VAL C 1.0 -126.4 -76.4 PHI 52 52 A 42 VAL N A 42 VAL CA A 42 VAL C A 43 TRP N 1.0 102.1 145.5 PSI 53 53 A 42 VAL C A 43 TRP N A 43 TRP CA A 43 TRP C 1.0 -131.0 -81.0 PHI 54 54 A 43 TRP N A 43 TRP CA A 43 TRP C A 44 THR N 1.0 102.1 150.1 PSI 55 55 A 45 TYR C A 46 LYS N A 46 LYS CA A 46 LYS C 1.0 -133.0 -83.0 PHI 56 56 A 46 LYS N A 46 LYS CA A 46 LYS C A 47 ASP N 1.0 102.7 164.1 PSI 57 57 A 50 LYS C A 51 THR N A 51 THR CA A 51 THR C 1.0 -146.4 -90.8 PHI 58 58 A 51 THR N A 51 THR CA A 51 THR C A 52 PHE N 1.0 98.2 159.6 PSI 59 59 A 51 THR C A 52 PHE N A 52 PHE CA A 52 PHE C 1.0 -138.5 -88.5 PHI 60 60 A 52 PHE N A 52 PHE CA A 52 PHE C A 53 THR N 1.0 100.3 161.7 PSI 61 61 A 52 PHE C A 53 THR N A 53 THR CA A 53 THR C 1.0 -144.8 -94.8 PHI 62 62 A 53 THR N A 53 THR CA A 53 THR C A 54 VAL N 1.0 104.3 165.9 PSI 63 63 A 53 THR C A 54 VAL N A 54 VAL CA A 54 VAL C 1.0 -144.2 -94.2 PHI 64 64 A 54 VAL N A 54 VAL CA A 54 VAL C A 55 THR N 1.0 100.8 162.4 PSI 65 65 A 54 VAL C A 55 THR N A 55 THR CA A 55 THR C 1.0 -119.0 -69.0 PHI 66 66 A 55 THR N A 55 THR CA A 55 THR C A 56 GLU N 1.0 106.1 167.5 PSI stop_ save_