data_nef_c34005_5l7m 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 5L7M stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 11 CYS SG 1 38 CYS SG 1 13 CYS SG 1 54 CYS SG stop_ 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 ILE start . . 2 A 2 LEU middle . . 3 A 3 GLU middle . . 4 A 4 ALA middle . . 5 A 5 HIS middle . . 6 A 6 TYR middle . . 7 A 7 THR middle . . 8 A 8 ASN middle . . 9 A 9 LEU middle . . 10 A 10 LYS middle . . 11 A 11 CYS middle -HG . 12 A 12 ARG middle . . 13 A 13 CYS middle -HG . 14 A 14 SER middle . . 15 A 15 GLY middle . false 16 A 16 VAL middle . . 17 A 17 ILE middle . . 18 A 18 SER middle . . 19 A 19 THR middle . . 20 A 20 VAL middle . . 21 A 21 VAL middle . . 22 A 22 GLY middle . false 23 A 23 LEU middle . . 24 A 24 ASN middle . . 25 A 25 ILE middle . . 26 A 26 ILE middle . . 27 A 27 ASP middle . . 28 A 28 ARG middle . . 29 A 29 ILE middle . . 30 A 30 GLN middle . . 31 A 31 VAL middle . . 32 A 32 THR middle . . 33 A 33 PRO middle . false 34 A 34 PRO middle . false 35 A 35 GLY middle . false 36 A 36 ASN middle . . 37 A 37 GLY middle . false 38 A 38 CYS middle -HG . 39 A 39 PRO middle . false 40 A 40 LYS middle . . 41 A 41 THR middle . . 42 A 42 GLU middle . . 43 A 43 VAL middle . . 44 A 44 VAL middle . . 45 A 45 ILE middle . . 46 A 46 TRP middle . . 47 A 47 THR middle . . 48 A 48 LYS middle . . 49 A 49 MET middle . . 50 A 50 LYS middle . . 51 A 51 LYS middle . . 52 A 52 VAL middle . . 53 A 53 ILE middle . . 54 A 54 CYS middle -HG . 55 A 55 VAL middle . . 56 A 56 ASN middle . . 57 A 57 PRO middle . false 58 A 58 ARG middle . . 59 A 59 ALA middle . . 60 A 60 LYS middle . . 61 A 61 TRP middle . . 62 A 62 LEU middle . . 63 A 63 GLN middle . . 64 A 64 ARG middle . . 65 A 65 LEU middle . . 66 A 66 LEU middle . . 67 A 67 ARG middle . . 68 A 68 HIS middle . . 69 A 69 VAL middle . . 70 A 70 GLN middle . . 71 A 71 SER middle . . 72 A 72 LYS middle . . 73 A 73 SER middle . . 74 A 74 LEU middle . . 75 A 75 SER middle . . 76 A 76 SER middle . . 77 A 77 THR middle . . 78 A 78 PRO middle . false 79 A 79 GLN middle . . 80 A 80 ALA middle . . 81 A 81 PRO middle . false 82 A 82 VAL middle . . 83 A 83 SER middle . . 84 A 84 LYS middle . . 85 A 85 ARG middle . . 86 A 86 ARG middle . . 87 A 87 ALA middle . . 88 A 88 ALA end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_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 2 LEU HA H 1 4.373 . A 2 LEU HBy H 1 1.663 . A 2 LEU HBx H 1 1.546 . A 2 LEU HDx% H 1 0.827 . A 2 LEU HDy% H 1 0.892 . A 2 LEU HG H 1 1.588 . A 2 LEU C C 13 176.822 . A 2 LEU CA C 13 54.979 . A 2 LEU CB C 13 42.444 . A 2 LEU CDx C 13 23.911 . A 2 LEU CDy C 13 25.070 . A 2 LEU CG C 13 27.097 . A 3 GLU H H 1 8.315 . A 3 GLU HA H 1 4.208 . A 3 GLU HBy H 1 1.973 . A 3 GLU HBx H 1 1.884 . A 3 GLU HG2 H 1 2.214 . A 3 GLU HG3 H 1 2.214 . A 3 GLU C C 13 175.908 . A 3 GLU CA C 13 56.517 . A 3 GLU CB C 13 30.398 . A 3 GLU CG C 13 36.402 . A 3 GLU N N 15 122.630 . A 4 ALA H H 1 8.207 . A 4 ALA HA H 1 4.197 . A 4 ALA HB% H 1 1.240 . A 4 ALA C C 13 177.163 . A 4 ALA CA C 13 52.577 . A 4 ALA CB C 13 19.237 . A 4 ALA N N 15 125.023 . A 5 HIS H H 1 8.228 . A 5 HIS HD2 H 1 7.048 . A 5 HIS HE1 H 1 8.303 . A 5 HIS C C 13 174.538 . A 5 HIS CA C 13 55.657 . A 5 HIS CB C 13 29.862 . A 5 HIS CD2 C 13 119.567 . A 5 HIS CE1 C 13 136.822 . A 5 HIS N N 15 117.868 . A 6 TYR H H 1 8.090 . A 6 TYR HA H 1 4.662 . A 6 TYR HBy H 1 3.017 . A 6 TYR HBx H 1 2.837 . A 6 TYR HDx H 1 7.103 . A 6 TYR HDy H 1 7.103 . A 6 TYR HEx H 1 6.782 . A 6 TYR HEy H 1 6.782 . A 6 TYR C C 13 175.792 . A 6 TYR CA C 13 57.935 . A 6 TYR CB C 13 38.789 . A 6 TYR CDx C 13 133.282 . A 6 TYR CDy C 13 133.282 . A 6 TYR CEx C 13 118.277 . A 6 TYR CEy C 13 118.277 . A 6 TYR N N 15 121.327 . A 7 THR H H 1 8.043 . A 7 THR HA H 1 4.292 . A 7 THR HB H 1 4.152 . A 7 THR HG2% H 1 1.150 . A 7 THR C C 13 173.663 . A 7 THR CA C 13 61.789 . A 7 THR CB C 13 69.814 . A 7 THR CG2 C 13 21.496 . A 7 THR N N 15 115.574 . A 8 ASN H H 1 8.285 . A 8 ASN HA H 1 4.744 . A 8 ASN HBy H 1 2.839 . A 8 ASN HBx H 1 2.772 . A 8 ASN C C 13 175.118 . A 8 ASN CA C 13 53.205 . A 8 ASN CB C 13 38.897 . A 8 ASN N N 15 120.533 . A 9 LEU H H 1 8.111 . A 9 LEU HA H 1 4.347 . A 9 LEU C C 13 177.017 . A 9 LEU CA C 13 55.651 . A 9 LEU CB C 13 42.477 . A 9 LEU CDx C 13 23.429 . A 9 LEU CDy C 13 25.234 . A 9 LEU CG C 13 27.039 . A 9 LEU N N 15 122.112 . A 10 LYS H H 1 8.137 . A 10 LYS HA H 1 4.429 . A 10 LYS HBx H 1 1.705 . A 10 LYS HBy H 1 1.873 . A 10 LYS HEx H 1 3.009 . A 10 LYS HEy H 1 3.009 . A 10 LYS HGx H 1 1.405 . A 10 LYS HGy H 1 1.678 . A 10 LYS C C 13 176.507 . A 10 LYS CA C 13 55.320 . A 10 LYS CB C 13 33.068 . A 10 LYS CD C 13 28.861 . A 10 LYS CE C 13 42.190 . A 10 LYS CG C 13 24.813 . A 10 LYS N N 15 119.034 . A 11 CYS H H 1 8.269 . A 11 CYS HA H 1 4.551 . A 11 CYS HBy H 1 3.929 . A 11 CYS HBx H 1 2.635 . A 11 CYS CA C 13 54.826 . A 11 CYS CB C 13 38.997 . A 11 CYS N N 15 119.269 . A 12 ARG H H 1 11.301 . A 12 ARG HA H 1 4.221 . A 12 ARG HBx H 1 1.744 . A 12 ARG HBy H 1 1.799 . A 12 ARG HDy H 1 3.098 . A 12 ARG HDx H 1 3.094 . A 12 ARG HGx H 1 1.631 . A 12 ARG HGy H 1 1.647 . A 12 ARG CA C 13 57.671 . A 12 ARG CB C 13 31.744 . A 12 ARG CD C 13 43.634 . A 12 ARG CG C 13 27.421 . A 12 ARG N N 15 127.141 . A 13 CYS H H 1 9.397 . A 13 CYS HA H 1 4.747 . A 13 CYS HBx H 1 2.965 . A 13 CYS HBy H 1 3.151 . A 13 CYS CA C 13 54.667 . A 13 CYS CB C 13 42.865 . A 13 CYS N N 15 120.183 . A 14 SER H H 1 8.757 . A 14 SER HA H 1 4.412 . A 14 SER CA C 13 58.612 . A 14 SER CB C 13 63.069 . A 14 SER N N 15 119.870 . A 15 GLY H H 1 7.905 . A 15 GLY HAx H 1 3.892 . A 15 GLY HAy H 1 4.012 . A 15 GLY CA C 13 44.752 . A 15 GLY N N 15 110.733 . A 16 VAL H H 1 8.122 . A 16 VAL HA H 1 4.488 . A 16 VAL HB H 1 1.878 . A 16 VAL HG1% H 1 0.772 . A 16 VAL HG2% H 1 0.779 . A 16 VAL CA C 13 60.049 . A 16 VAL CB C 13 34.827 . A 16 VAL CG1 C 13 22.001 . A 16 VAL CG2 C 13 19.249 . A 16 VAL N N 15 114.774 . A 17 ILE H H 1 8.441 . A 17 ILE HA H 1 4.549 . A 17 ILE HB H 1 1.969 . A 17 ILE HD1% H 1 0.790 . A 17 ILE HG1x H 1 1.300 . A 17 ILE HG1y H 1 1.482 . A 17 ILE HG2% H 1 0.962 . A 17 ILE CA C 13 60.240 . A 17 ILE CB C 13 39.981 . A 17 ILE CD1 C 13 13.421 . A 17 ILE CG1 C 13 26.863 . A 17 ILE CG2 C 13 18.119 . A 17 ILE N N 15 121.144 . A 18 SER H H 1 9.077 . A 18 SER HA H 1 4.779 . A 18 SER HBx H 1 3.955 . A 18 SER HBy H 1 3.955 . A 18 SER CA C 13 58.727 . A 18 SER CB C 13 64.447 . A 18 SER N N 15 118.780 . A 19 THR H H 1 7.427 . A 19 THR HA H 1 4.236 . A 19 THR HB H 1 4.055 . A 19 THR HG2% H 1 1.140 . A 19 THR CA C 13 61.345 . A 19 THR CB C 13 69.936 . A 19 THR CG2 C 13 21.664 . A 19 THR N N 15 116.210 . A 20 VAL H H 1 7.656 . A 20 VAL HA H 1 2.091 . A 20 VAL HB H 1 1.348 . A 20 VAL HG1% H 1 0.220 . A 20 VAL HG2% H 1 0.419 . A 20 VAL CA C 13 62.753 . A 20 VAL CB C 13 32.256 . A 20 VAL CG1 C 13 20.241 . A 20 VAL CG2 C 13 20.868 . A 20 VAL N N 15 120.206 . A 21 VAL H H 1 5.205 . A 21 VAL HA H 1 3.795 . A 21 VAL HB H 1 1.626 . A 21 VAL HG1% H 1 0.671 . A 21 VAL HG2% H 1 0.717 . A 21 VAL CA C 13 60.847 . A 21 VAL CB C 13 33.521 . A 21 VAL CG1 C 13 20.998 . A 21 VAL CG2 C 13 21.228 . A 22 GLY H H 1 8.154 . A 22 GLY HAx H 1 3.542 . A 22 GLY HAy H 1 3.812 . A 22 GLY CA C 13 45.144 . A 22 GLY N N 15 112.123 . A 23 LEU H H 1 8.170 . A 23 LEU HA H 1 3.849 . A 23 LEU HBx H 1 1.540 . A 23 LEU HBy H 1 1.586 . A 23 LEU HD1% H 1 0.883 . A 23 LEU HD2% H 1 0.837 . A 23 LEU HG H 1 1.682 . A 23 LEU CA C 13 57.689 . A 23 LEU CB C 13 41.774 . A 23 LEU CD1 C 13 24.450 . A 23 LEU CD2 C 13 24.669 . A 23 LEU CG C 13 27.164 . A 23 LEU N N 15 122.616 . A 24 ASN H H 1 8.463 . A 24 ASN HA H 1 4.382 . A 24 ASN HBx H 1 2.753 . A 24 ASN HBy H 1 2.840 . A 24 ASN CA C 13 55.137 . A 24 ASN CB C 13 37.257 . A 24 ASN N N 15 112.984 . A 25 ILE H H 1 7.343 . A 25 ILE HA H 1 4.482 . A 25 ILE HB H 1 2.193 . A 25 ILE HD1% H 1 0.829 . A 25 ILE HG1x H 1 1.150 . A 25 ILE HG1y H 1 1.297 . A 25 ILE HG2% H 1 0.833 . A 25 ILE CA C 13 60.597 . A 25 ILE CB C 13 39.238 . A 25 ILE CD1 C 13 14.555 . A 25 ILE CG1 C 13 26.883 . A 25 ILE CG2 C 13 17.798 . A 25 ILE N N 15 112.775 . A 26 ILE H H 1 7.339 . A 26 ILE HA H 1 3.499 . A 26 ILE HB H 1 1.903 . A 26 ILE HD1% H 1 0.816 . A 26 ILE HG1y H 1 1.997 . A 26 ILE HG1x H 1 0.693 . A 26 ILE HG2% H 1 0.740 . A 26 ILE CA C 13 64.301 . A 26 ILE CB C 13 39.291 . A 26 ILE CD1 C 13 14.573 . A 26 ILE CG1 C 13 28.115 . A 26 ILE CG2 C 13 16.816 . A 26 ILE N N 15 123.170 . A 27 ASP H H 1 9.053 . A 27 ASP HA H 1 4.892 . A 27 ASP HBx H 1 2.161 . A 27 ASP HBy H 1 2.583 . A 27 ASP CA C 13 55.460 . A 27 ASP CB C 13 43.766 . A 27 ASP N N 15 127.762 . A 28 ARG H H 1 7.901 . A 28 ARG HA H 1 4.691 . A 28 ARG HBx H 1 1.728 . A 28 ARG HBy H 1 1.730 . A 28 ARG HDx H 1 2.672 . A 28 ARG HDy H 1 2.681 . A 28 ARG HGx H 1 1.405 . A 28 ARG HGy H 1 1.406 . A 28 ARG CA C 13 55.039 . A 28 ARG CB C 13 33.809 . A 28 ARG CD C 13 43.151 . A 28 ARG CG C 13 26.942 . A 28 ARG N N 15 114.365 . A 29 ILE H H 1 8.647 . A 29 ILE HA H 1 5.135 . A 29 ILE HB H 1 1.607 . A 29 ILE HD1% H 1 0.760 . A 29 ILE HG1y H 1 1.588 . A 29 ILE HG1x H 1 0.870 . A 29 ILE HG2% H 1 0.743 . A 29 ILE CA C 13 60.359 . A 29 ILE CB C 13 41.315 . A 29 ILE CD1 C 13 14.528 . A 29 ILE CG1 C 13 28.083 . A 29 ILE CG2 C 13 16.827 . A 29 ILE N N 15 121.462 . A 30 GLN H H 1 9.544 . A 30 GLN HA H 1 4.784 . A 30 GLN HBx H 1 2.025 . A 30 GLN HBy H 1 2.284 . A 30 GLN HGx H 1 2.228 . A 30 GLN HGy H 1 2.297 . A 30 GLN CA C 13 55.040 . A 30 GLN CB C 13 33.039 . A 30 GLN CG C 13 34.071 . A 30 GLN N N 15 127.865 . A 31 VAL H H 1 8.900 . A 31 VAL HA H 1 4.764 . A 31 VAL HB H 1 1.982 . A 31 VAL HG1% H 1 0.741 . A 31 VAL HG2% H 1 0.888 . A 31 VAL CA C 13 61.561 . A 31 VAL CB C 13 32.989 . A 31 VAL CG1 C 13 20.797 . A 31 VAL CG2 C 13 21.392 . A 31 VAL N N 15 128.831 . A 32 THR H H 1 9.383 . A 32 THR HA H 1 4.930 . A 32 THR HB H 1 4.118 . A 32 THR HG2% H 1 1.322 . A 32 THR CA C 13 58.787 . A 32 THR CB C 13 70.306 . A 32 THR CG2 C 13 21.860 . A 32 THR N N 15 125.430 . A 33 PRO HA H 1 4.763 . A 33 PRO HBx H 1 1.926 . A 34 PRO HA H 1 4.394 . A 34 PRO HBy H 1 1.840 . A 34 PRO HBx H 1 1.721 . A 34 PRO HDx H 1 3.383 . A 34 PRO HDy H 1 3.888 . A 34 PRO HGx H 1 1.663 . A 34 PRO HGy H 1 1.894 . A 34 PRO CA C 13 63.105 . A 34 PRO CB C 13 32.349 . A 34 PRO CD C 13 49.849 . A 34 PRO CG C 13 27.549 . A 35 GLY H H 1 8.298 . A 35 GLY HAx H 1 3.915 . A 35 GLY HAy H 1 4.178 . A 35 GLY CA C 13 44.993 . A 35 GLY N N 15 109.067 . A 36 ASN H H 1 8.895 . A 36 ASN HA H 1 4.464 . A 36 ASN HBx H 1 2.662 . A 36 ASN HBy H 1 2.888 . A 36 ASN CA C 13 54.352 . A 36 ASN CB C 13 38.267 . A 36 ASN N N 15 118.981 . A 37 GLY H H 1 8.374 . A 37 GLY HAx H 1 3.613 . A 37 GLY HAy H 1 4.216 . A 37 GLY CA C 13 45.475 . A 37 GLY N N 15 107.259 . A 38 CYS H H 1 7.713 . A 38 CYS HA H 1 5.315 . A 38 CYS HBx H 1 2.749 . A 38 CYS HBy H 1 3.326 . A 38 CYS CA C 13 52.336 . A 38 CYS CB C 13 41.831 . A 38 CYS N N 15 119.609 . A 39 PRO HA H 1 4.700 . A 39 PRO HBx H 1 2.109 . A 39 PRO HBy H 1 2.218 . A 39 PRO HDx H 1 3.914 . A 39 PRO HDy H 1 3.956 . A 39 PRO HGx H 1 1.788 . A 39 PRO HGy H 1 2.053 . A 39 PRO CA C 13 63.817 . A 39 PRO CB C 13 31.415 . A 39 PRO CD C 13 51.190 . A 39 PRO CG C 13 26.816 . A 40 LYS H H 1 7.410 . A 40 LYS HA H 1 4.673 . A 40 LYS HBx H 1 1.617 . A 40 LYS HBy H 1 1.779 . A 40 LYS HDx H 1 1.603 . A 40 LYS HDy H 1 1.611 . A 40 LYS HEx H 1 2.958 . A 40 LYS HGx H 1 1.196 . A 40 LYS HGy H 1 1.292 . A 40 LYS CA C 13 54.480 . A 40 LYS CB C 13 35.512 . A 40 LYS CD C 13 29.426 . A 40 LYS CE C 13 42.527 . A 40 LYS CG C 13 24.435 . A 40 LYS N N 15 119.155 . A 41 THR H H 1 8.325 . A 41 THR HA H 1 4.425 . A 41 THR HB H 1 3.802 . A 41 THR HG2% H 1 0.966 . A 41 THR CA C 13 63.648 . A 41 THR CB C 13 69.192 . A 41 THR CG2 C 13 21.510 . A 41 THR N N 15 119.584 . A 42 GLU H H 1 8.511 . A 42 GLU HA H 1 4.691 . A 42 GLU HBx H 1 1.735 . A 42 GLU HBy H 1 1.997 . A 42 GLU HGx H 1 1.769 . A 42 GLU HGy H 1 2.302 . A 42 GLU CA C 13 55.806 . A 42 GLU CB C 13 33.029 . A 42 GLU CG C 13 38.974 . A 42 GLU N N 15 124.520 . A 43 VAL H H 1 9.243 . A 43 VAL HA H 1 4.684 . A 43 VAL HB H 1 1.971 . A 43 VAL HG1% H 1 0.657 . A 43 VAL HG2% H 1 0.791 . A 43 VAL CA C 13 61.849 . A 43 VAL CB C 13 32.658 . A 43 VAL CG1 C 13 21.220 . A 43 VAL CG2 C 13 21.303 . A 43 VAL N N 15 124.960 . A 44 VAL H H 1 8.666 . A 44 VAL HA H 1 4.610 . A 44 VAL HB H 1 1.710 . A 44 VAL HG1% H 1 0.108 . A 44 VAL HG2% H 1 0.720 . A 44 VAL CA C 13 60.545 . A 44 VAL CB C 13 34.525 . A 44 VAL CG1 C 13 21.724 . A 44 VAL CG2 C 13 21.269 . A 44 VAL N N 15 126.067 . A 45 ILE H H 1 9.087 . A 45 ILE HA H 1 4.826 . A 45 ILE HB H 1 1.745 . A 45 ILE HD1% H 1 0.834 . A 45 ILE HG1y H 1 1.604 . A 45 ILE HG1x H 1 1.599 . A 45 ILE HG2% H 1 0.818 . A 45 ILE CA C 13 59.908 . A 45 ILE CB C 13 41.077 . A 45 ILE CD1 C 13 14.487 . A 45 ILE CG1 C 13 28.459 . A 45 ILE CG2 C 13 18.463 . A 45 ILE N N 15 124.729 . A 46 TRP H H 1 9.022 . A 46 TRP HA H 1 5.277 . A 46 TRP HBx H 1 3.110 . A 46 TRP HBy H 1 3.303 . A 46 TRP HD1 H 1 6.985 . A 46 TRP HE1 H 1 9.931 . A 46 TRP HE3 H 1 7.423 . A 46 TRP HH2 H 1 6.997 . A 46 TRP HZ2 H 1 7.299 . A 46 TRP HZ3 H 1 6.859 . A 46 TRP CA C 13 56.886 . A 46 TRP CB C 13 31.167 . A 46 TRP CD1 C 13 126.513 . A 46 TRP CE3 C 13 121.906 . A 46 TRP CH2 C 13 124.028 . A 46 TRP CZ2 C 13 114.190 . A 46 TRP CZ3 C 13 121.402 . A 46 TRP N N 15 127.530 . A 46 TRP NE1 N 15 128.701 . A 47 THR H H 1 9.266 . A 47 THR HA H 1 5.234 . A 47 THR HB H 1 4.776 . A 47 THR HG1 H 1 5.836 . A 47 THR HG2% H 1 1.094 . A 47 THR CA C 13 59.995 . A 47 THR CB C 13 72.111 . A 47 THR CG2 C 13 21.581 . A 47 THR N N 15 114.664 . A 48 LYS H H 1 8.983 . A 48 LYS HA H 1 4.155 . A 48 LYS HBx H 1 1.701 . A 48 LYS HBy H 1 2.025 . A 48 LYS HDx H 1 1.670 . A 48 LYS HDy H 1 1.674 . A 48 LYS HEy H 1 2.901 . A 48 LYS HEx H 1 2.900 . A 48 LYS HGx H 1 1.237 . A 48 LYS HGy H 1 1.385 . A 48 LYS CA C 13 58.936 . A 48 LYS CB C 13 32.581 . A 48 LYS CD C 13 29.453 . A 48 LYS CE C 13 42.498 . A 48 LYS CG C 13 26.544 . A 48 LYS N N 15 121.475 . A 49 MET H H 1 7.617 . A 49 MET HA H 1 4.649 . A 49 MET HBx H 1 1.789 . A 49 MET HBy H 1 2.351 . A 49 MET HE% H 1 2.061 . A 49 MET HGx H 1 2.537 . A 49 MET HGy H 1 2.645 . A 49 MET CA C 13 55.064 . A 49 MET CB C 13 30.922 . A 49 MET CE C 13 17.378 . A 49 MET CG C 13 33.284 . A 49 MET N N 15 116.227 . A 50 LYS H H 1 8.073 . A 50 LYS HA H 1 3.851 . A 50 LYS HBx H 1 2.014 . A 50 LYS HBy H 1 2.181 . A 50 LYS HDy H 1 1.657 . A 50 LYS HDx H 1 1.651 . A 50 LYS HEy H 1 2.974 . A 50 LYS HEx H 1 2.971 . A 50 LYS HGx H 1 1.327 . A 50 LYS HGy H 1 1.328 . A 50 LYS CA C 13 57.628 . A 50 LYS CB C 13 28.426 . A 50 LYS CD C 13 29.165 . A 50 LYS CE C 13 42.449 . A 50 LYS CG C 13 25.265 . A 50 LYS N N 15 113.319 . A 51 LYS H H 1 7.162 . A 51 LYS HA H 1 4.533 . A 51 LYS HBy H 1 1.643 . A 51 LYS HBx H 1 1.632 . A 51 LYS HDx H 1 1.587 . A 51 LYS HDy H 1 1.591 . A 51 LYS HEy H 1 2.899 . A 51 LYS HEx H 1 2.898 . A 51 LYS HGx H 1 1.168 . A 51 LYS HGy H 1 1.326 . A 51 LYS CA C 13 54.628 . A 51 LYS CB C 13 33.767 . A 51 LYS CD C 13 28.681 . A 51 LYS CE C 13 42.380 . A 51 LYS CG C 13 25.031 . A 51 LYS N N 15 117.452 . A 52 VAL H H 1 8.094 . A 52 VAL HA H 1 4.521 . A 52 VAL HB H 1 1.448 . A 52 VAL HG1% H 1 0.146 . A 52 VAL HG2% H 1 0.262 . A 52 VAL CA C 13 61.297 . A 52 VAL CB C 13 32.820 . A 52 VAL CG1 C 13 20.659 . A 52 VAL CG2 C 13 20.561 . A 52 VAL N N 15 122.544 . A 53 ILE H H 1 9.110 . A 53 ILE HA H 1 4.305 . A 53 ILE HB H 1 1.593 . A 53 ILE HD1% H 1 0.635 . A 53 ILE HG1x H 1 0.895 . A 53 ILE HG1y H 1 1.279 . A 53 ILE HG2% H 1 0.748 . A 53 ILE CA C 13 59.977 . A 53 ILE CB C 13 41.975 . A 53 ILE CD1 C 13 13.910 . A 53 ILE CG1 C 13 26.716 . A 53 ILE CG2 C 13 17.785 . A 53 ILE N N 15 126.275 . A 54 CYS H H 1 8.621 . A 54 CYS HA H 1 5.469 . A 54 CYS HBx H 1 3.067 . A 54 CYS HBy H 1 3.783 . A 54 CYS CA C 13 57.120 . A 54 CYS CB C 13 47.633 . A 54 CYS N N 15 123.413 . A 55 VAL H H 1 8.262 . A 55 VAL HA H 1 4.845 . A 55 VAL HB H 1 1.882 . A 55 VAL HG1% H 1 0.924 . A 55 VAL HG2% H 1 0.770 . A 55 VAL CA C 13 59.807 . A 55 VAL CB C 13 35.000 . A 55 VAL CG1 C 13 22.473 . A 55 VAL CG2 C 13 21.062 . A 55 VAL N N 15 117.865 . A 56 ASN H H 1 8.411 . A 56 ASN HA H 1 4.472 . A 56 ASN HBx H 1 2.695 . A 56 ASN HBy H 1 2.870 . A 56 ASN CA C 13 50.964 . A 56 ASN CB C 13 39.456 . A 56 ASN N N 15 124.058 . A 57 PRO HA H 1 3.946 . A 57 PRO HBx H 1 1.807 . A 57 PRO HBy H 1 2.005 . A 57 PRO HDx H 1 3.740 . A 57 PRO HDy H 1 4.171 . A 57 PRO HGy H 1 1.875 . A 57 PRO HGx H 1 1.867 . A 57 PRO CA C 13 64.105 . A 57 PRO CB C 13 32.395 . A 57 PRO CD C 13 51.298 . A 57 PRO CG C 13 27.664 . A 58 ARG H H 1 7.745 . A 58 ARG HA H 1 4.112 . A 58 ARG HBx H 1 1.532 . A 58 ARG HBy H 1 1.951 . A 58 ARG HDy H 1 3.130 . A 58 ARG HDx H 1 3.121 . A 58 ARG HGx H 1 1.510 . A 58 ARG HGy H 1 1.520 . A 58 ARG CA C 13 54.892 . A 58 ARG CB C 13 29.911 . A 58 ARG CD C 13 43.249 . A 58 ARG CG C 13 27.577 . A 58 ARG N N 15 113.096 . A 59 ALA H H 1 7.550 . A 59 ALA HA H 1 4.084 . A 59 ALA HB% H 1 0.974 . A 59 ALA CA C 13 52.868 . A 59 ALA CB C 13 18.017 . A 59 ALA N N 15 124.131 . A 60 LYS H H 1 8.999 . A 60 LYS HA H 1 3.877 . A 60 LYS HBx H 1 1.877 . A 60 LYS HBy H 1 1.955 . A 60 LYS HDx H 1 1.694 . A 60 LYS HDy H 1 1.699 . A 60 LYS HEx H 1 2.992 . A 60 LYS HEy H 1 2.992 . A 60 LYS HGx H 1 1.467 . A 60 LYS HGy H 1 1.573 . A 60 LYS CA C 13 59.898 . A 60 LYS CB C 13 31.823 . A 60 LYS CD C 13 29.138 . A 60 LYS CE C 13 42.141 . A 60 LYS CG C 13 25.381 . A 60 LYS N N 15 126.126 . A 61 TRP H H 1 7.761 . A 61 TRP HA H 1 4.368 . A 61 TRP HBx H 1 3.234 . A 61 TRP HBy H 1 3.518 . A 61 TRP HD1 H 1 7.610 . A 61 TRP HE1 H 1 10.026 . A 61 TRP HE3 H 1 7.309 . A 61 TRP HH2 H 1 6.860 . A 61 TRP HZ2 H 1 7.358 . A 61 TRP HZ3 H 1 6.873 . A 61 TRP CA C 13 57.431 . A 61 TRP CB C 13 27.594 . A 61 TRP CD1 C 13 128.542 . A 61 TRP CE3 C 13 120.545 . A 61 TRP CH2 C 13 123.923 . A 61 TRP CZ2 C 13 115.361 . A 61 TRP CZ3 C 13 122.786 . A 61 TRP N N 15 115.958 . A 61 TRP NE1 N 15 130.887 . A 62 LEU H H 1 5.882 . A 62 LEU HA H 1 3.528 . A 62 LEU HBx H 1 0.037 . A 62 LEU HBy H 1 1.239 . A 62 LEU HD1% H 1 0.533 . A 62 LEU HD2% H 1 0.525 . A 62 LEU HG H 1 1.060 . A 62 LEU CA C 13 56.399 . A 62 LEU CB C 13 41.658 . A 62 LEU CD1 C 13 23.448 . A 62 LEU CD2 C 13 25.315 . A 62 LEU CG C 13 26.395 . A 62 LEU N N 15 123.199 . A 63 GLN H H 1 7.528 . A 63 GLN HA H 1 3.694 . A 63 GLN HBx H 1 2.007 . A 63 GLN HBy H 1 2.081 . A 63 GLN HGx H 1 2.317 . A 63 GLN HGy H 1 2.371 . A 63 GLN CA C 13 59.198 . A 63 GLN CB C 13 27.897 . A 63 GLN CG C 13 33.704 . A 63 GLN N N 15 117.164 . A 64 ARG H H 1 7.847 . A 64 ARG HA H 1 4.008 . A 64 ARG HBx H 1 1.889 . A 64 ARG HBy H 1 1.891 . A 64 ARG HDy H 1 3.229 . A 64 ARG HDx H 1 3.228 . A 64 ARG HGx H 1 1.627 . A 64 ARG HGy H 1 1.715 . A 64 ARG CA C 13 59.155 . A 64 ARG CB C 13 30.108 . A 64 ARG CD C 13 43.578 . A 64 ARG CG C 13 27.615 . A 64 ARG N N 15 116.909 . A 65 LEU H H 1 7.475 . A 65 LEU HA H 1 4.215 . A 65 LEU HBx H 1 1.744 . A 65 LEU HBy H 1 1.883 . A 65 LEU HD1% H 1 1.036 . A 65 LEU HD2% H 1 0.918 . A 65 LEU HG H 1 1.755 . A 65 LEU CA C 13 57.694 . A 65 LEU CB C 13 42.242 . A 65 LEU CD1 C 13 25.364 . A 65 LEU CD2 C 13 24.751 . A 65 LEU CG C 13 27.301 . A 65 LEU N N 15 120.096 . A 66 LEU H H 1 8.055 . A 66 LEU HA H 1 4.019 . A 66 LEU HBx H 1 1.437 . A 66 LEU HBy H 1 1.692 . A 66 LEU HD1% H 1 0.713 . A 66 LEU HD2% H 1 0.674 . A 66 LEU HG H 1 1.656 . A 66 LEU CA C 13 56.973 . A 66 LEU CB C 13 41.297 . A 66 LEU CD1 C 13 25.423 . A 66 LEU CD2 C 13 22.586 . A 66 LEU CG C 13 26.720 . A 66 LEU N N 15 117.426 . A 67 ARG H H 1 7.572 . A 67 ARG HA H 1 4.098 . A 67 ARG HBx H 1 1.799 . A 67 ARG HBy H 1 1.801 . A 67 ARG HDx H 1 3.131 . A 67 ARG HDy H 1 3.134 . A 67 ARG HGx H 1 1.533 . A 67 ARG HGy H 1 1.653 . A 67 ARG CA C 13 57.988 . A 67 ARG CB C 13 30.225 . A 67 ARG CD C 13 43.453 . A 67 ARG CG C 13 27.458 . A 67 ARG N N 15 117.564 . A 68 HIS H H 1 7.934 . A 68 HIS HA H 1 4.553 . A 68 HIS HBx H 1 3.179 . A 68 HIS HBy H 1 3.313 . A 68 HIS HD2 H 1 7.085 . A 68 HIS HE1 H 1 8.073 . A 68 HIS CA C 13 57.552 . A 68 HIS CB C 13 30.294 . A 68 HIS CD2 C 13 120.137 . A 68 HIS CE1 C 13 137.834 . A 68 HIS N N 15 118.270 . A 69 VAL H H 1 8.003 . A 69 VAL HA H 1 3.979 . A 69 VAL HB H 1 2.129 . A 69 VAL HGx% H 1 0.918 . A 69 VAL HGy% H 1 0.955 . A 69 VAL CA C 13 63.583 . A 69 VAL CB C 13 32.290 . A 69 VAL CGx C 13 20.826 . A 69 VAL CGy C 13 21.242 . A 69 VAL N N 15 118.941 . A 70 GLN H H 1 8.275 . A 70 GLN HA H 1 4.273 . A 70 GLN HBx H 1 2.045 . A 70 GLN HBy H 1 2.091 . A 70 GLN HGy H 1 2.389 . A 70 GLN HGx H 1 2.381 . A 70 GLN CA C 13 56.601 . A 70 GLN CB C 13 29.283 . A 70 GLN CG C 13 34.040 . A 70 GLN N N 15 122.062 . A 71 SER H H 1 8.153 . A 71 SER HA H 1 4.384 . A 71 SER HBx H 1 3.862 . A 71 SER HBy H 1 3.862 . A 71 SER CA C 13 59.230 . A 71 SER CB C 13 63.748 . A 71 SER N N 15 116.298 . A 72 LYS H H 1 8.156 . A 72 LYS HA H 1 4.305 . A 72 LYS CA C 13 56.542 . A 72 LYS CB C 13 32.758 . A 72 LYS N N 15 122.458 . A 73 SER H H 1 8.161 . A 73 SER HA H 1 4.424 . A 73 SER HBx H 1 3.828 . A 73 SER HBy H 1 3.828 . A 73 SER CA C 13 58.571 . A 73 SER CB C 13 63.772 . A 73 SER N N 15 116.218 . A 74 LEU H H 1 8.172 . A 74 LEU HA H 1 4.372 . A 74 LEU HBx H 1 1.600 . A 74 LEU HBy H 1 1.601 . A 74 LEU HD1% H 1 0.860 . A 74 LEU HD2% H 1 0.814 . A 74 LEU CA C 13 55.408 . A 74 LEU CB C 13 42.365 . A 74 LEU CD1 C 13 25.118 . A 74 LEU CD2 C 13 23.644 . A 74 LEU CG C 13 27.041 . A 74 LEU N N 15 123.786 . A 75 SER H H 1 8.188 . A 75 SER HA H 1 4.434 . A 75 SER HBx H 1 3.814 . A 75 SER HBy H 1 3.814 . A 75 SER CA C 13 58.272 . A 75 SER CB C 13 63.949 . A 75 SER N N 15 115.966 . A 76 SER H H 1 8.240 . A 76 SER HA H 1 4.476 . A 76 SER HBx H 1 3.837 . A 76 SER HBy H 1 3.841 . A 76 SER CA C 13 58.215 . A 76 SER CB C 13 63.954 . A 76 SER N N 15 117.880 . A 77 THR H H 1 8.129 . A 77 THR HA H 1 4.564 . A 77 THR HB H 1 4.091 . A 77 THR HG2% H 1 1.191 . A 77 THR CA C 13 60.022 . A 77 THR CB C 13 69.834 . A 77 THR CG2 C 13 21.463 . A 77 THR N N 15 118.250 . A 78 PRO HA H 1 4.364 . A 78 PRO HBx H 1 1.846 . A 78 PRO HBy H 1 2.244 . A 78 PRO HDx H 1 3.651 . A 78 PRO HDy H 1 3.813 . A 78 PRO HGy H 1 1.984 . A 78 PRO HGx H 1 1.956 . A 78 PRO CA C 13 63.322 . A 78 PRO CB C 13 32.150 . A 78 PRO CD C 13 51.194 . A 78 PRO CG C 13 27.407 . A 79 GLN H H 1 8.415 . A 79 GLN HA H 1 4.239 . A 79 GLN HBx H 1 1.901 . A 79 GLN HBy H 1 2.019 . A 79 GLN HGx H 1 2.339 . A 79 GLN HGy H 1 2.340 . A 79 GLN CA C 13 55.487 . A 79 GLN CB C 13 29.742 . A 79 GLN CG C 13 33.882 . A 79 GLN N N 15 120.979 . A 80 ALA H H 1 8.292 . A 80 ALA HA H 1 4.531 . A 80 ALA HB% H 1 1.304 . A 80 ALA CA C 13 50.540 . A 80 ALA CB C 13 18.124 . A 80 ALA N N 15 127.122 . A 81 PRO HA H 1 4.412 . A 81 PRO HBx H 1 1.848 . A 81 PRO HBy H 1 2.242 . A 81 PRO HDx H 1 3.589 . A 81 PRO HDy H 1 3.755 . A 81 PRO HGx H 1 1.972 . A 81 PRO HGy H 1 1.976 . A 81 PRO CA C 13 62.983 . A 81 PRO CB C 13 32.073 . A 81 PRO CD C 13 50.553 . A 81 PRO CG C 13 27.430 . A 82 VAL H H 1 8.204 . A 82 VAL HA H 1 4.031 . A 82 VAL HB H 1 2.015 . A 82 VAL HGx% H 1 0.906 . A 82 VAL HGy% H 1 0.909 . A 82 VAL CA C 13 62.428 . A 82 VAL CB C 13 32.754 . A 82 VAL CGy C 13 21.057 . A 82 VAL CGx C 13 20.864 . A 82 VAL N N 15 120.446 . A 83 SER H H 1 8.304 . A 83 SER HA H 1 4.398 . A 83 SER HBy H 1 3.798 . A 83 SER HBx H 1 3.790 . A 83 SER CA C 13 58.273 . A 83 SER CB C 13 63.869 . A 83 SER N N 15 119.326 . A 84 LYS H H 1 8.303 . A 84 LYS HA H 1 4.277 . A 84 LYS HBx H 1 1.670 . A 84 LYS HBy H 1 1.797 . A 84 LYS HDy H 1 1.641 . A 84 LYS HDx H 1 1.640 . A 84 LYS HEx H 1 2.941 . A 84 LYS HEy H 1 2.942 . A 84 LYS HGx H 1 1.376 . A 84 LYS HGy H 1 1.383 . A 84 LYS CA C 13 56.363 . A 84 LYS CB C 13 33.053 . A 84 LYS CD C 13 29.117 . A 84 LYS CE C 13 42.193 . A 84 LYS CG C 13 24.753 . A 84 LYS N N 15 123.696 . A 85 ARG H H 1 8.236 . A 85 ARG HA H 1 4.250 . A 85 ARG HBx H 1 1.691 . A 85 ARG HBy H 1 1.762 . A 85 ARG HDx H 1 3.139 . A 85 ARG HDy H 1 3.139 . A 85 ARG HGx H 1 1.561 . A 85 ARG HGy H 1 1.573 . A 85 ARG CA C 13 56.084 . A 85 ARG CB C 13 30.931 . A 85 ARG CD C 13 43.412 . A 85 ARG CG C 13 27.112 . A 85 ARG N N 15 122.519 . A 86 ARG H H 1 8.351 . A 86 ARG HA H 1 4.256 . A 86 ARG HBx H 1 1.699 . A 86 ARG HBy H 1 1.788 . A 86 ARG HDx H 1 3.152 . A 86 ARG HDy H 1 3.152 . A 86 ARG HGx H 1 1.586 . A 86 ARG HGy H 1 1.587 . A 86 ARG CA C 13 56.093 . A 86 ARG CB C 13 30.991 . A 86 ARG CD C 13 43.433 . A 86 ARG CG C 13 27.098 . A 86 ARG N N 15 123.332 . A 87 ALA H H 1 8.316 . A 87 ALA HA H 1 4.253 . A 87 ALA HB% H 1 1.334 . A 87 ALA CA C 13 52.448 . A 87 ALA CB C 13 19.345 . A 87 ALA N N 15 126.547 . A 88 ALA H H 1 7.839 . A 88 ALA HA H 1 4.044 . A 88 ALA HB% H 1 1.272 . A 88 ALA CA C 13 53.790 . A 88 ALA CB C 13 20.146 . A 88 ALA N N 15 128.957 . 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 ILE HA A 2 LEU H 1.0 2.06 3.36 2 2 A 2 LEU H A 1 ILE HB 1.0 2.49 5.98 3 3 A 2 LEU HA A 3 GLU H 1.0 2.09 3.57 4 4 A 3 GLU H A 3 GLU HBy 1.0 2.27 4.59 5 5 A 3 GLU H A 3 GLU HBx 1.0 2.27 4.59 6 6 A 3 GLU HA A 4 ALA H 1.0 2.07 3.44 7 7 A 4 ALA H A 3 GLU HBx 1.0 2.39 5.32 8 8 A 4 ALA H A 3 GLU HBy 1.0 2.39 5.32 9 9 A 4 ALA H A 4 ALA HB% 1.0 2.10 3.62 10 10 A 6 TYR HD% A 7 THR H 1.0 2.47 5.84 11 11 A 7 THR H A 6 TYR HBy 1.0 2.58 6.48 12 12 A 7 THR H A 6 TYR HBx 1.0 2.58 6.48 13 13 A 7 THR H A 7 THR HG2% 1.0 2.34 5.04 14 14 A 7 THR HG2% A 8 ASN H 1.0 2.53 6.20 15 15 A 8 ASN H A 7 THR HB 1.0 2.56 6.32 16 16 A 9 LEU H A 9 LEU HBx 1.0 2.34 5.08 17 17 A 9 LEU H A 9 LEU HBy 1.0 2.34 5.08 18 18 A 10 LYS H A 11 CYS H 1.0 2.52 6.14 19 19 A 75 SER HA A 76 SER H 1.0 2.19 4.16 20 20 A 76 SER HA A 77 THR H 1.0 2.24 4.44 21 21 A 78 PRO HA A 79 GLN H 1.0 2.04 3.24 22 22 A 79 GLN H A 79 GLN HGx 1.0 2.72 7.32 23 23 A 79 GLN H A 79 GLN HGy 1.0 2.72 7.32 24 24 A 79 GLN HA A 80 ALA H 1.0 2.04 3.20 25 25 A 80 ALA H A 79 GLN HBy 1.0 2.53 6.22 26 26 A 80 ALA H A 79 GLN HBx 1.0 2.53 6.22 27 27 A 80 ALA H A 80 ALA HB% 1.0 2.14 3.82 28 28 A 81 PRO HA A 82 VAL H 1.0 2.02 3.16 29 29 A 82 VAL H A 82 VAL HB 1.0 2.27 4.58 30 30 A 82 VAL H A 81 PRO HBx 1.0 2.43 5.61 31 31 A 82 VAL H A 81 PRO HBy 1.0 2.43 5.61 32 32 A 82 VAL HA A 83 SER H 1.0 2.10 3.64 33 33 A 83 SER HA A 84 LYS H 1.0 2.13 3.76 34 34 A 84 LYS HA A 85 ARG H 1.0 2.18 4.10 35 35 A 85 ARG H A 85 ARG HGx 1.0 2.65 6.92 36 36 A 85 ARG H A 85 ARG HGy 1.0 2.65 6.92 37 37 A 85 ARG HA A 86 ARG H 1.0 2.17 4.00 38 38 A 86 ARG HA A 87 ALA H 1.0 2.22 4.36 39 39 A 74 LEU HA A 75 SER H 1.0 2.15 3.90 40 40 A 75 SER H A 74 LEU HBx 1.0 2.67 7.02 41 41 A 75 SER H A 74 LEU HBy 1.0 2.67 7.02 42 42 A 11 CYS H A 12 ARG H 1.0 2.52 6.16 43 43 A 11 CYS H A 10 LYS HA 1.0 2.16 3.98 44 44 A 11 CYS H A 11 CYS HBy 1.0 2.29 4.70 45 45 A 11 CYS H A 11 CYS HBx 1.0 2.29 4.70 46 46 A 11 CYS H A 10 LYS HBy 1.0 2.26 4.52 47 47 A 12 ARG H A 13 CYS H 1.0 2.51 6.06 48 48 A 12 ARG H A 11 CYS HA 1.0 2.21 4.30 49 49 A 12 ARG H A 11 CYS HBy 1.0 2.45 5.68 50 50 A 12 ARG H A 11 CYS HBx 1.0 2.45 5.68 51 51 A 13 CYS H A 13 CYS HBy 1.0 2.31 4.86 52 52 A 13 CYS H A 13 CYS HBx 1.0 2.31 4.86 53 53 A 16 VAL H A 15 GLY HAy 1.0 2.18 4.06 54 54 A 16 VAL H A 15 GLY HAx 1.0 2.18 4.06 55 55 A 16 VAL H A 16 VAL HB 1.0 2.34 5.02 56 56 A 16 VAL H A 17 ILE H 1.0 2.48 5.90 57 57 A 17 ILE H A 16 VAL HA 1.0 2.18 4.06 58 58 A 17 ILE H A 55 VAL HA 1.0 2.47 5.85 59 59 A 17 ILE H A 17 ILE HB 1.0 2.29 4.74 60 60 A 18 SER H A 19 THR H 1.0 2.45 5.72 61 61 A 19 THR H A 17 ILE HA 1.0 2.43 5.58 62 62 A 19 THR H A 19 THR HB 1.0 2.25 4.52 63 63 A 19 THR H A 18 SER HBx 1.0 2.57 6.40 64 64 A 19 THR H A 18 SER HBy 1.0 2.57 6.40 65 65 A 19 THR H A 17 ILE HG1y 1.0 2.55 6.34 66 66 A 19 THR H A 19 THR HG2% 1.0 2.38 5.25 67 67 A 19 THR H A 17 ILE HD1% 1.0 2.33 5.00 68 68 A 19 THR H A 20 VAL H 1.0 2.48 5.88 69 69 A 20 VAL H A 19 THR HA 1.0 2.14 3.86 70 70 A 19 THR HB A 20 VAL H 1.0 2.48 5.88 71 71 A 20 VAL H A 18 SER HA 1.0 2.78 7.64 72 72 A 20 VAL H A 20 VAL HB 1.0 2.30 4.84 73 73 A 19 THR HG2% A 20 VAL H 1.0 2.44 5.64 74 74 A 20 VAL H A 20 VAL HG2% 1.0 2.49 5.91 75 75 A 20 VAL H A 20 VAL HG1% 1.0 2.49 5.91 76 76 A 21 VAL HA A 22 GLY H 1.0 2.06 3.36 77 77 A 22 GLY H A 21 VAL HB 1.0 2.38 5.26 78 78 A 22 GLY H A 21 VAL HG2% 1.0 2.43 5.56 79 79 A 22 GLY H A 25 ILE HD1% 1.0 2.27 4.58 80 80 A 23 LEU H A 23 LEU HBx 1.0 2.27 4.65 81 81 A 23 LEU H A 23 LEU HG 1.0 2.43 5.58 82 82 A 24 ASN H A 22 GLY HAy 1.0 2.42 5.54 83 83 A 24 ASN H A 22 GLY HAx 1.0 2.42 5.54 84 84 A 24 ASN H A 25 ILE HG2% 1.0 2.42 5.52 85 85 A 24 ASN H A 26 ILE HG1x 1.0 2.85 8.10 86 86 A 24 ASN H A 24 ASN HBx 1.0 2.18 4.10 87 87 A 24 ASN H A 24 ASN HBy 1.0 2.18 4.10 88 88 A 25 ILE H A 26 ILE HG1y 1.0 2.48 5.92 89 89 A 25 ILE H A 25 ILE HG1y 1.0 2.40 5.43 90 90 A 23 LEU HA A 26 ILE H 1.0 2.47 5.82 91 91 A 26 ILE HG1y A 26 ILE H 1.0 2.28 4.64 92 92 A 26 ILE H A 26 ILE HB 1.0 2.24 4.47 93 93 A 26 ILE H A 26 ILE HD1% 1.0 2.31 4.89 94 94 A 26 ILE H A 26 ILE HG2% 1.0 2.40 5.42 95 95 A 26 ILE HG1x A 26 ILE H 1.0 2.49 5.97 96 96 A 27 ASP H A 47 THR HA 1.0 2.34 5.06 97 97 A 27 ASP H A 26 ILE HA 1.0 2.23 4.38 98 98 A 27 ASP H A 27 ASP HBy 1.0 2.38 5.31 99 99 A 26 ILE HD1% A 27 ASP H 1.0 2.38 5.26 100 100 A 27 ASP HBy A 28 ARG H 1.0 2.29 4.77 101 101 A 28 ARG H A 46 TRP HBy 1.0 2.53 6.18 102 102 A 28 ARG H A 46 TRP HBx 1.0 2.53 6.18 103 103 A 28 ARG H A 27 ASP HBx 1.0 2.43 5.56 104 104 A 26 ILE HG2% A 28 ARG H 1.0 2.34 5.06 105 105 A 28 ARG HA A 29 ILE H 1.0 2.23 4.40 106 106 A 29 ILE H A 29 ILE HB 1.0 2.29 4.77 107 107 A 29 ILE H A 28 ARG HGx 1.0 2.65 6.90 108 108 A 29 ILE H A 28 ARG HGy 1.0 2.65 6.90 109 109 A 29 ILE H A 29 ILE HG2% 1.0 2.45 5.68 110 110 A 29 ILE H A 29 ILE HD1% 1.0 2.53 6.20 111 111 A 29 ILE H A 30 GLN H 1.0 2.60 6.60 112 112 A 30 GLN H A 29 ILE HA 1.0 2.20 4.23 113 113 A 29 ILE HB A 30 GLN H 1.0 2.52 6.08 114 114 A 29 ILE HG2% A 30 GLN H 1.0 2.34 5.08 115 115 A 30 GLN HA A 31 VAL H 1.0 2.19 4.14 116 116 A 31 VAL H A 31 VAL HB 1.0 2.32 4.88 117 117 A 31 VAL H A 31 VAL HG2% 1.0 2.70 7.20 118 118 A 31 VAL H A 31 VAL HG1% 1.0 2.70 7.20 119 119 A 31 VAL HA A 32 THR H 1.0 2.19 4.14 120 120 A 32 THR H A 32 THR HB 1.0 2.36 5.18 121 121 A 31 VAL HB A 32 THR H 1.0 2.54 6.24 122 122 A 32 THR H A 32 THR HG2% 1.0 2.49 5.94 123 123 A 32 THR H A 41 THR HG2% 1.0 2.49 5.98 124 124 A 34 PRO HA A 35 GLY H 1.0 2.05 3.34 125 125 A 35 GLY H A 34 PRO HBy 1.0 2.29 4.78 126 126 A 35 GLY H A 34 PRO HBx 1.0 2.29 4.78 127 127 A 35 GLY H A 38 CYS H 1.0 2.43 5.56 128 128 A 38 CYS H A 37 GLY H 1.0 2.38 5.25 129 129 A 40 LYS H A 41 THR H 1.0 2.47 5.82 130 130 A 34 PRO HA A 40 LYS H 1.0 2.61 6.63 131 131 A 40 LYS H A 41 THR HA 1.0 2.84 8.00 132 132 A 40 LYS H A 40 LYS HBx 1.0 2.33 5.02 133 133 A 40 LYS H A 40 LYS HBy 1.0 2.33 5.02 134 134 A 41 THR H A 41 THR HB 1.0 2.19 4.12 135 135 A 41 THR H A 40 LYS HA 1.0 2.10 3.60 136 136 A 32 THR H A 42 GLU H 1.0 2.52 6.16 137 137 A 32 THR HB A 42 GLU H 1.0 2.49 5.94 138 138 A 41 THR HG2% A 42 GLU H 1.0 2.35 5.12 139 139 A 43 VAL H A 43 VAL HB 1.0 2.21 4.26 140 140 A 43 VAL H A 43 VAL HG2% 1.0 2.25 4.52 141 141 A 43 VAL H A 43 VAL HG1% 1.0 2.36 5.18 142 142 A 30 GLN H A 44 VAL H 1.0 2.49 5.98 143 143 A 44 VAL H A 43 VAL HA 1.0 2.21 4.28 144 144 A 44 VAL H A 44 VAL HB 1.0 2.35 5.10 145 145 A 43 VAL HG1% A 44 VAL H 1.0 2.32 4.94 146 146 A 45 ILE H A 54 CYS HA 1.0 2.54 6.20 147 147 A 45 ILE H A 44 VAL HA 1.0 2.20 4.20 148 148 A 45 ILE H A 45 ILE HB 1.0 2.33 4.96 149 149 A 45 ILE H A 45 ILE HG2% 1.0 2.52 6.12 150 150 A 45 ILE H A 45 ILE HD1% 1.0 2.62 6.70 151 151 A 45 ILE HA A 46 TRP H 1.0 2.23 4.38 152 152 A 45 ILE HB A 46 TRP H 1.0 2.64 6.84 153 153 A 45 ILE HG2% A 46 TRP H 1.0 2.33 5.02 154 154 A 46 TRP HE1 A 52 VAL HG1% 1.0 2.29 4.78 155 155 A 46 TRP HA A 47 THR H 1.0 2.14 3.82 156 156 A 47 THR H A 52 VAL HA 1.0 2.46 5.78 157 157 A 47 THR H A 47 THR HG2% 1.0 2.22 4.34 158 158 A 45 ILE HG2% A 47 THR H 1.0 2.48 5.90 159 159 A 48 LYS H A 49 MET H 1.0 2.31 4.86 160 160 A 48 LYS H A 47 THR HG1 1.0 2.46 5.74 161 161 A 47 THR HA A 48 LYS H 1.0 2.22 4.35 162 162 A 48 LYS H A 47 THR HB 1.0 2.16 3.96 163 163 A 48 LYS H A 25 ILE HB 1.0 2.34 5.08 164 164 A 27 ASP HBx A 48 LYS H 1.0 2.47 5.85 165 165 A 48 LYS H A 48 LYS HBy 1.0 2.30 4.76 166 166 A 48 LYS H A 48 LYS HBx 1.0 2.30 4.76 167 167 A 48 LYS H A 48 LYS HGy 1.0 2.36 5.18 168 168 A 48 LYS H A 48 LYS HGx 1.0 2.36 5.18 169 169 A 25 ILE HD1% A 48 LYS H 1.0 2.39 5.36 170 170 A 49 MET H A 51 LYS H 1.0 2.41 5.49 171 171 A 49 MET H A 47 THR HG1 1.0 2.22 4.35 172 172 A 49 MET H A 50 LYS HA 1.0 2.58 6.52 173 173 A 49 MET H A 49 MET HGy 1.0 2.36 5.19 174 174 A 49 MET H A 49 MET HGx 1.0 2.36 5.19 175 175 A 49 MET H A 49 MET HBy 1.0 2.28 4.72 176 176 A 49 MET H A 49 MET HE% 1.0 2.60 6.60 177 177 A 49 MET H A 49 MET HBx 1.0 2.28 4.72 178 178 A 49 MET H A 51 LYS HBy 1.0 2.64 6.82 179 179 A 49 MET H A 51 LYS HBx 1.0 2.64 6.82 180 180 A 47 THR HG2% A 49 MET H 1.0 2.41 5.48 181 181 A 25 ILE HD1% A 49 MET H 1.0 2.65 6.90 182 182 A 49 MET H A 50 LYS H 1.0 2.18 4.08 183 183 A 51 LYS H A 50 LYS H 1.0 2.14 3.86 184 184 A 48 LYS H A 50 LYS H 1.0 2.45 5.72 185 185 A 47 THR H A 50 LYS H 1.0 2.59 6.57 186 186 A 47 THR HG1 A 50 LYS H 1.0 2.45 5.70 187 187 A 50 LYS H A 49 MET HA 1.0 2.21 4.30 188 188 A 50 LYS H A 48 LYS HA 1.0 2.34 5.04 189 189 A 50 LYS HA A 50 LYS H 1.0 2.05 3.26 190 190 A 50 LYS H A 49 MET HBy 1.0 2.51 6.06 191 191 A 50 LYS H A 50 LYS HBy 1.0 2.39 5.32 192 192 A 50 LYS H A 50 LYS HBx 1.0 2.39 5.32 193 193 A 50 LYS H A 49 MET HBx 1.0 2.51 6.06 194 194 A 50 LYS H A 50 LYS HDy 1.0 2.53 6.14 195 195 A 50 LYS H A 50 LYS HDx 1.0 2.53 6.14 196 196 A 50 LYS H A 50 LYS HGx 1.0 2.58 6.52 197 197 A 50 LYS H A 50 LYS HGy 1.0 2.58 6.52 198 198 A 47 THR HG2% A 50 LYS H 1.0 2.72 7.29 199 199 A 47 THR H A 51 LYS H 1.0 2.33 5.00 200 200 A 47 THR HG1 A 51 LYS H 1.0 2.40 5.43 201 201 A 51 LYS H A 49 MET HA 1.0 2.54 6.20 202 202 A 51 LYS H A 50 LYS HA 1.0 2.25 4.46 203 203 A 51 LYS H A 51 LYS HBy 1.0 2.32 4.88 204 204 A 51 LYS H A 51 LYS HBx 1.0 2.32 4.88 205 205 A 47 THR HG2% A 51 LYS H 1.0 2.37 5.20 206 206 A 46 TRP HA A 51 LYS H 1.0 2.66 6.99 207 207 A 47 THR HA A 51 LYS H 1.0 2.80 7.76 208 208 A 51 LYS HDy A 52 VAL H 1.0 2.57 6.40 209 209 A 52 VAL H A 52 VAL HB 1.0 2.25 4.46 210 210 A 52 VAL H A 51 LYS HGy 1.0 2.51 6.02 211 211 A 52 VAL H A 51 LYS HGx 1.0 2.51 6.02 212 212 A 52 VAL HG1% A 52 VAL H 1.0 2.32 4.92 213 213 A 52 VAL H A 52 VAL HG2% 1.0 2.45 5.70 214 214 A 52 VAL HA A 53 ILE H 1.0 2.18 4.08 215 215 A 45 ILE HB A 53 ILE H 1.0 2.47 5.80 216 216 A 52 VAL HB A 53 ILE H 1.0 2.51 6.02 217 217 A 53 ILE H A 53 ILE HG1y 1.0 2.47 5.84 218 218 A 53 ILE H A 53 ILE HG1x 1.0 2.47 5.84 219 219 A 52 VAL HG1% A 53 ILE H 1.0 2.49 5.98 220 220 A 53 ILE HA A 54 CYS H 1.0 2.15 3.92 221 221 A 54 CYS H A 54 CYS HBy 1.0 2.38 5.26 222 222 A 54 CYS H A 54 CYS HBx 1.0 2.38 5.26 223 223 A 54 CYS H A 53 ILE HB 1.0 2.47 5.79 224 224 A 54 CYS HA A 55 VAL H 1.0 2.20 4.20 225 225 A 55 VAL H A 54 CYS HBy 1.0 2.46 5.76 226 226 A 55 VAL H A 54 CYS HBx 1.0 2.46 5.76 227 227 A 43 VAL HB A 55 VAL H 1.0 2.41 5.44 228 228 A 55 VAL H A 55 VAL HB 1.0 2.38 5.28 229 229 A 55 VAL HA A 56 ASN H 1.0 2.20 4.22 230 230 A 56 ASN H A 56 ASN HBy 1.0 2.27 4.62 231 231 A 56 ASN H A 56 ASN HBx 1.0 2.27 4.62 232 232 A 55 VAL HB A 56 ASN H 1.0 2.30 4.80 233 233 A 43 VAL HB A 56 ASN H 1.0 2.72 7.30 234 234 A 56 ASN H A 55 VAL HG1% 1.0 2.33 4.98 235 235 A 56 ASN H A 55 VAL HG2% 1.0 2.33 4.98 236 236 A 58 ARG H A 59 ALA H 1.0 2.20 4.24 237 237 A 58 ARG H A 58 ARG HBy 1.0 2.35 5.14 238 238 A 58 ARG H A 58 ARG HBx 1.0 2.35 5.14 239 239 A 58 ARG H A 58 ARG HGy 1.0 2.36 5.19 240 240 A 58 ARG H A 58 ARG HGx 1.0 2.36 5.19 241 241 A 59 ALA H A 59 ALA HB% 1.0 2.23 4.38 242 242 A 59 ALA H A 62 LEU HG 1.0 2.56 6.36 243 243 A 59 ALA H A 62 LEU HD2% 1.0 2.53 6.22 244 244 A 59 ALA HB% A 61 TRP HE1 1.0 2.33 5.02 245 245 A 61 TRP H A 62 LEU H 1.0 2.39 5.36 246 246 A 62 LEU H A 62 LEU HBy 1.0 2.38 5.28 247 247 A 59 ALA HB% A 62 LEU H 1.0 2.47 5.79 248 248 A 62 LEU H A 62 LEU HBx 1.0 2.38 5.28 249 249 A 67 ARG H A 68 HIS H 1.0 2.33 4.98 250 250 A 67 ARG H A 67 ARG HBx 1.0 2.31 4.86 251 251 A 67 ARG H A 67 ARG HBy 1.0 2.31 4.86 252 252 A 67 ARG H A 67 ARG HGy 1.0 2.49 5.97 253 253 A 67 ARG H A 67 ARG HGx 1.0 2.49 5.97 254 254 A 67 ARG H A 66 LEU HD1% 1.0 2.61 6.63 255 255 A 67 ARG H A 66 LEU HD2% 1.0 2.70 7.23 256 256 A 63 GLN H A 64 ARG H 1.0 2.32 4.88 257 257 A 64 ARG H A 63 GLN HBx 1.0 2.48 5.88 258 258 A 64 ARG H A 64 ARG HGy 1.0 2.50 6.02 259 259 A 64 ARG H A 64 ARG HGx 1.0 2.50 6.02 260 260 A 64 ARG H A 63 GLN HBy 1.0 2.48 5.88 261 261 A 64 ARG H A 65 LEU H 1.0 2.21 4.28 262 262 A 65 LEU H A 63 GLN HA 1.0 2.50 6.04 263 263 A 65 LEU H A 62 LEU HA 1.0 2.42 5.50 264 264 A 65 LEU H A 65 LEU HBx 1.0 2.20 4.23 265 265 A 65 LEU H A 65 LEU HBy 1.0 2.22 4.35 266 266 A 66 LEU HD2% A 65 LEU H 1.0 2.68 7.11 267 267 A 65 LEU H A 66 LEU H 1.0 2.27 4.66 268 268 A 67 ARG H A 66 LEU H 1.0 2.24 4.44 269 269 A 63 GLN HA A 66 LEU H 1.0 2.47 5.82 270 270 A 62 LEU HA A 66 LEU H 1.0 2.47 5.85 271 271 A 65 LEU HBx A 66 LEU H 1.0 2.24 4.47 272 272 A 66 LEU H A 66 LEU HG 1.0 2.09 3.58 273 273 A 62 LEU HG A 66 LEU H 1.0 2.51 6.10 274 274 A 66 LEU H A 65 LEU HD2% 1.0 2.55 6.28 275 275 A 66 LEU HD2% A 66 LEU H 1.0 2.24 4.47 276 276 A 61 TRP H A 63 GLN H 1.0 2.45 5.73 277 277 A 62 LEU H A 63 GLN H 1.0 2.31 4.83 278 278 A 63 GLN H A 60 LYS HA 1.0 2.49 5.91 279 279 A 63 GLN H A 63 GLN HBx 1.0 2.31 4.89 280 280 A 63 GLN H A 63 GLN HBy 1.0 2.31 4.89 281 281 A 63 GLN H A 62 LEU HBy 1.0 2.55 6.26 282 282 A 63 GLN H A 62 LEU HBx 1.0 2.55 6.26 283 283 A 68 HIS H A 67 ARG HBx 1.0 2.70 7.17 284 284 A 68 HIS H A 67 ARG HBy 1.0 2.70 7.17 285 285 A 67 ARG HA A 69 VAL H 1.0 2.47 5.86 286 286 A 69 VAL H A 68 HIS HBy 1.0 2.33 4.98 287 287 A 69 VAL H A 68 HIS HBx 1.0 2.33 4.98 288 288 A 69 VAL H A 69 VAL HB 1.0 2.31 4.83 289 289 A 70 GLN HA A 71 SER H 1.0 2.21 4.30 290 290 A 23 LEU H A 24 ASN H 1.0 2.38 5.26 291 291 A 27 ASP H A 28 ARG H 1.0 2.23 4.42 292 292 A 24 ASN H A 25 ILE H 1.0 2.27 4.59 293 293 A 64 ARG H A 66 LEU H 1.0 2.47 5.80 294 294 A 41 THR HA A 42 GLU H 1.0 2.18 4.05 295 295 A 52 VAL H A 51 LYS HA 1.0 2.07 3.45 296 296 A 11 CYS H A 10 LYS HBx 1.0 2.26 4.52 297 297 A 12 ARG H A 12 ARG HGx 1.0 2.64 6.86 298 298 A 12 ARG H A 12 ARG HGy 1.0 2.64 6.86 299 299 A 17 ILE HB A 19 THR H 1.0 2.31 4.83 300 300 A 22 GLY H A 47 THR HG2% 1.0 2.72 7.35 301 301 A 16 VAL HB A 17 ILE H 1.0 2.24 4.47 302 302 A 79 GLN H A 79 GLN HBx 1.0 2.32 4.88 303 303 A 79 GLN H A 79 GLN HBy 1.0 2.32 4.88 304 304 A 82 VAL H A 82 VAL HGx% 1.0 2.51 6.02 305 305 A 82 VAL H A 82 VAL HGy% 1.0 2.51 6.02 306 306 A 23 LEU H A 23 LEU HBy 1.0 2.27 4.65 307 307 A 73 SER HA A 74 LEU H 1.0 2.18 4.06 308 308 A 61 TRP H A 61 TRP HD1 1.0 2.31 4.89 309 309 A 35 GLY H A 34 PRO HGx 1.0 2.40 5.40 310 310 A 77 THR H A 76 SER HBx 1.0 2.63 6.75 311 311 A 77 THR H A 76 SER HBy 1.0 2.63 6.75 312 312 A 74 LEU H A 73 SER HBx 1.0 2.55 6.34 313 313 A 74 LEU H A 73 SER HBy 1.0 2.55 6.34 314 314 A 16 VAL H A 16 VAL HG2% 1.0 2.32 4.94 315 315 A 27 ASP HBx A 49 MET H 1.0 2.66 6.98 316 316 A 49 MET H A 47 THR HB 1.0 2.16 3.96 317 317 A 80 ALA HB% A 81 PRO HDx 1.0 2.39 5.36 318 318 A 80 ALA HB% A 81 PRO HDy 1.0 2.39 5.36 319 319 A 17 ILE HB A 17 ILE HD1% 1.0 2.19 4.16 320 320 A 17 ILE HD1% A 17 ILE HG2% 1.0 2.14 3.82 321 321 A 21 VAL HB A 53 ILE HD1% 1.0 2.19 4.18 322 322 A 19 THR H A 17 ILE HG2% 1.0 2.50 6.00 323 323 A 55 VAL HA A 17 ILE HG2% 1.0 2.52 6.14 324 324 A 17 ILE HG2% A 17 ILE HG1x 1.0 2.20 4.24 325 325 A 17 ILE HG1y A 17 ILE HG2% 1.0 2.16 3.98 326 326 A 17 ILE HG2% A 53 ILE HG2% 1.0 2.06 3.39 327 327 A 17 ILE H A 16 VAL HG1% 1.0 2.41 5.48 328 328 A 16 VAL H A 16 VAL HG1% 1.0 2.32 4.94 329 329 A 16 VAL HA A 16 VAL HG1% 1.0 2.31 4.83 330 330 A 19 THR HG2% A 19 THR HA 1.0 2.25 4.48 331 331 A 77 THR HA A 77 THR HG2% 1.0 2.19 4.14 332 332 A 47 THR HG2% A 48 LYS H 1.0 2.31 4.82 333 333 A 47 THR HA A 47 THR HG2% 1.0 2.28 4.64 334 334 A 47 THR HG2% A 21 VAL HG2% 1.0 2.31 4.89 335 335 A 32 THR HG2% A 32 THR HA 1.0 2.29 4.71 336 336 A 41 THR HG2% A 41 THR HA 1.0 2.29 4.70 337 337 A 41 THR HG2% A 57 PRO HBy 1.0 2.47 5.80 338 338 A 41 THR HG2% A 57 PRO HBx 1.0 2.47 5.80 339 339 A 21 VAL HA A 21 VAL HG1% 1.0 2.20 4.22 340 340 A 43 VAL HG1% A 62 LEU HD1% 1.0 2.21 4.30 341 341 A 44 VAL HA A 44 VAL HG2% 1.0 2.38 5.30 342 342 A 21 VAL HA A 21 VAL HG2% 1.0 2.20 4.22 343 343 A 23 LEU HA A 23 LEU HD2% 1.0 2.22 4.29 344 344 A 23 LEU HA A 23 LEU HD1% 1.0 2.22 4.29 345 345 A 25 ILE HG2% A 25 ILE H 1.0 2.21 4.30 346 346 A 45 ILE HG2% A 45 ILE HA 1.0 2.33 5.00 347 347 A 25 ILE HG2% A 25 ILE HG1y 1.0 2.18 4.08 348 348 A 53 ILE HA A 53 ILE HG2% 1.0 2.16 3.94 349 349 A 51 LYS HDy A 53 ILE HG2% 1.0 2.13 3.76 350 350 A 17 ILE HG1x A 53 ILE HG2% 1.0 2.33 5.02 351 351 A 53 ILE HG2% A 53 ILE HG1y 1.0 2.18 4.05 352 352 A 31 VAL HA A 31 VAL HG2% 1.0 2.28 4.64 353 353 A 55 VAL HA A 55 VAL HG2% 1.0 2.29 4.70 354 354 A 43 VAL HG2% A 57 PRO HA 1.0 2.19 4.16 355 355 A 52 VAL HA A 52 VAL HG2% 1.0 2.34 5.07 356 356 A 52 VAL HG1% A 52 VAL HA 1.0 2.28 4.68 357 357 A 55 VAL HA A 55 VAL HG1% 1.0 2.29 4.70 358 358 A 62 LEU HA A 62 LEU HD1% 1.0 2.29 4.77 359 359 A 66 LEU HD2% A 62 LEU HD1% 1.0 2.38 5.26 360 360 A 62 LEU HD2% A 57 PRO HA 1.0 2.31 4.82 361 361 A 62 LEU HD2% A 62 LEU HBy 1.0 2.39 5.34 362 362 A 43 VAL HG2% A 62 LEU HD2% 1.0 2.18 4.06 363 363 A 43 VAL HG1% A 62 LEU HD2% 1.0 2.18 4.08 364 364 A 61 TRP HZ3 A 65 LEU HD1% 1.0 2.59 6.57 365 365 A 65 LEU HA A 65 LEU HD1% 1.0 2.37 5.24 366 366 A 65 LEU HBx A 65 LEU HD1% 1.0 2.36 5.16 367 367 A 66 LEU HD2% A 66 LEU HA 1.0 2.20 4.20 368 368 A 66 LEU HD2% A 66 LEU HBy 1.0 2.24 4.47 369 369 A 62 LEU HD2% A 66 LEU HD1% 1.0 2.34 5.06 370 370 A 74 LEU HA A 74 LEU HD2% 1.0 2.31 4.86 371 371 A 74 LEU HD2% A 74 LEU HBy 1.0 2.32 4.94 372 372 A 74 LEU HA A 74 LEU HD1% 1.0 2.31 4.86 373 373 A 26 ILE HG1x A 26 ILE HG2% 1.0 2.27 4.59 374 374 A 66 LEU HD1% A 66 LEU HBx 1.0 2.28 4.72 375 375 A 51 LYS HA A 51 LYS HDx 1.0 2.60 6.60 376 376 A 51 LYS HDy A 51 LYS HA 1.0 2.73 7.38 377 377 A 47 THR HG2% A 51 LYS HDx 1.0 2.24 4.41 378 378 A 53 ILE HB A 53 ILE HD1% 1.0 2.26 4.56 379 379 A 52 VAL H A 51 LYS HBy 1.0 2.57 6.42 380 380 A 52 VAL H A 51 LYS HBx 1.0 2.57 6.42 381 381 A 21 VAL HB A 26 ILE HD1% 1.0 2.32 4.96 382 382 A 23 LEU HG A 26 ILE HG1y 1.0 2.34 5.06 383 383 A 23 LEU HG A 26 ILE HG1x 1.0 2.17 4.04 384 384 A 43 VAL HG2% A 57 PRO HGx 1.0 2.50 6.02 385 385 A 49 MET HA A 49 MET HGx 1.0 2.29 4.78 386 386 A 49 MET HA A 49 MET HGy 1.0 2.29 4.78 387 387 A 67 ARG HA A 67 ARG HDx 1.0 2.52 6.12 388 388 A 67 ARG HA A 67 ARG HDy 1.0 2.52 6.12 389 389 A 80 ALA HA A 81 PRO HDx 1.0 2.27 4.58 390 390 A 77 THR HA A 78 PRO HDx 1.0 2.24 4.47 391 391 A 80 ALA HA A 81 PRO HDy 1.0 2.27 4.58 392 392 A 77 THR HA A 78 PRO HDy 1.0 2.24 4.47 393 393 A 62 LEU HD2% A 62 LEU HBx 1.0 2.39 5.34 394 394 A 55 VAL HB A 62 LEU HD2% 1.0 2.44 5.66 395 395 A 43 VAL HB A 62 LEU HD2% 1.0 2.41 5.44 396 396 A 62 LEU HD2% A 62 LEU HA 1.0 2.36 5.19 397 397 A 62 LEU HD2% A 61 TRP HZ2 1.0 2.69 7.16 398 398 A 62 LEU HG A 66 LEU HD1% 1.0 2.38 5.25 399 399 A 66 LEU HD1% A 63 GLN HA 1.0 2.43 5.60 400 400 A 66 LEU HD1% A 66 LEU H 1.0 2.50 6.02 401 401 A 61 TRP HH2 A 55 VAL HG1% 1.0 2.38 5.25 402 402 A 61 TRP HZ2 A 55 VAL HG1% 1.0 2.42 5.54 403 403 A 52 VAL HG2% A 53 ILE H 1.0 2.41 5.49 404 404 A 20 VAL HA A 20 VAL HG2% 1.0 2.41 5.44 405 405 A 20 VAL HA A 20 VAL HG1% 1.0 2.41 5.44 406 406 A 59 ALA HB% A 56 ASN HBx 1.0 2.48 5.90 407 407 A 59 ALA HB% A 56 ASN HBy 1.0 2.48 5.90 408 408 A 59 ALA HB% A 62 LEU HBy 1.0 2.55 6.30 409 409 A 17 ILE HA A 17 ILE HG2% 1.0 2.23 4.38 410 410 A 19 THR HG2% A 17 ILE HD1% 1.0 2.49 5.98 411 411 A 17 ILE HA A 17 ILE HD1% 1.0 2.37 5.20 412 412 A 17 ILE H A 17 ILE HD1% 1.0 2.43 5.56 413 413 A 53 ILE HA A 53 ILE HD1% 1.0 2.46 5.74 414 414 A 45 ILE H A 53 ILE HD1% 1.0 2.55 6.26 415 415 A 53 ILE H A 53 ILE HD1% 1.0 2.60 6.64 416 416 A 23 LEU HA A 26 ILE HD1% 1.0 2.38 5.28 417 417 A 21 VAL HA A 25 ILE HD1% 1.0 2.43 5.58 418 418 A 26 ILE HG2% A 26 ILE HA 1.0 2.32 4.94 419 419 A 26 ILE HG2% A 27 ASP HA 1.0 2.35 5.14 420 420 A 54 CYS H A 53 ILE HG2% 1.0 2.29 4.77 421 421 A 53 ILE H A 53 ILE HG2% 1.0 2.33 5.02 422 422 A 16 VAL HA A 16 VAL HG2% 1.0 2.31 4.83 423 423 A 17 ILE H A 16 VAL HG2% 1.0 2.41 5.48 424 424 A 45 ILE H A 44 VAL HG2% 1.0 2.47 5.80 425 425 A 61 TRP HH2 A 55 VAL HG2% 1.0 2.38 5.25 426 426 A 61 TRP HZ2 A 55 VAL HG2% 1.0 2.42 5.54 427 427 A 22 GLY H A 21 VAL HG1% 1.0 2.43 5.56 428 428 A 43 VAL HG2% A 44 VAL H 1.0 2.49 5.94 429 429 A 59 ALA HB% A 62 LEU HBx 1.0 2.55 6.30 430 430 A 47 THR HG2% A 52 VAL H 1.0 2.85 8.10 431 431 A 47 THR HG2% A 51 LYS HA 1.0 2.57 6.42 432 432 A 52 VAL HA A 47 THR HG2% 1.0 2.62 6.74 433 433 A 47 THR HG2% A 25 ILE HB 1.0 2.53 6.14 434 434 A 41 THR HG2% A 41 THR H 1.0 2.45 5.68 435 435 A 31 VAL HA A 43 VAL HG1% 1.0 2.39 5.32 436 436 A 52 VAL HG1% A 44 VAL HG2% 1.0 2.44 5.64 437 437 A 23 LEU HD2% A 68 HIS HBy 1.0 2.53 6.22 438 438 A 23 LEU HD2% A 68 HIS HBx 1.0 2.53 6.22 439 439 A 23 LEU HD1% A 68 HIS HBy 1.0 2.53 6.22 440 440 A 68 HIS HBx A 23 LEU HD1% 1.0 2.53 6.22 441 441 A 22 GLY H A 25 ILE HG2% 1.0 2.51 6.10 442 442 A 25 ILE HG2% A 24 ASN HBy 1.0 2.47 5.86 443 443 A 25 ILE HG2% A 24 ASN HBx 1.0 2.47 5.86 444 444 A 53 ILE HG2% A 53 ILE HG1x 1.0 2.18 4.05 445 445 A 53 ILE HD1% A 53 ILE HG2% 1.0 2.07 3.42 446 446 A 45 ILE H A 44 VAL HG1% 1.0 2.47 5.80 447 447 A 44 VAL HA A 44 VAL HG1% 1.0 2.38 5.30 448 448 A 62 LEU HD1% A 61 TRP HZ3 1.0 2.68 7.11 449 449 A 62 LEU HD1% A 61 TRP HH2 1.0 2.75 7.54 450 450 A 66 LEU HG A 62 LEU HD1% 1.0 2.42 5.50 451 451 A 61 TRP HZ3 A 65 LEU HD2% 1.0 2.59 6.57 452 452 A 65 LEU HA A 65 LEU HD2% 1.0 2.37 5.24 453 453 A 66 LEU H A 65 LEU HD1% 1.0 2.55 6.28 454 454 A 47 THR HG2% A 53 ILE HD1% 1.0 2.13 3.75 455 455 A 62 LEU HD1% A 65 LEU HD2% 1.0 2.47 5.84 456 456 A 52 VAL HG1% A 46 TRP HA 1.0 2.47 5.82 457 457 A 52 VAL HG1% A 46 TRP HD1 1.0 2.62 6.74 458 458 A 52 VAL HG1% A 46 TRP HH2 1.0 2.74 7.41 459 459 A 65 LEU HBx A 62 LEU HD1% 1.0 2.47 5.85 460 460 A 65 LEU HBy A 62 LEU HD1% 1.0 2.52 6.12 461 461 A 62 LEU HD1% A 57 PRO HA 1.0 2.67 7.00 462 462 A 66 LEU HD2% A 66 LEU HBx 1.0 2.24 4.47 463 463 A 66 LEU HD1% A 66 LEU HBy 1.0 2.28 4.72 464 464 A 26 ILE HG1y A 26 ILE HG2% 1.0 2.24 4.44 465 465 A 64 ARG H A 65 LEU HBx 1.0 2.57 6.42 466 466 A 17 ILE H A 17 ILE HG1x 1.0 2.41 5.44 467 467 A 17 ILE H A 17 ILE HG1y 1.0 2.37 5.24 468 468 A 35 GLY H A 34 PRO HGy 1.0 2.59 6.58 469 469 A 25 ILE H A 25 ILE HG1x 1.0 2.40 5.43 470 470 A 66 LEU H A 67 ARG HBx 1.0 2.85 8.10 471 471 A 66 LEU H A 67 ARG HBy 1.0 2.85 8.10 472 472 A 51 LYS H A 51 LYS HDx 1.0 2.55 6.30 473 473 A 21 VAL HB A 61 TRP HZ3 1.0 2.63 6.78 474 474 A 21 VAL HB A 61 TRP HH2 1.0 2.68 7.10 475 475 A 53 ILE H A 53 ILE HB 1.0 2.37 5.20 476 476 A 67 ARG H A 67 ARG HDx 1.0 2.85 8.10 477 477 A 67 ARG H A 67 ARG HDy 1.0 2.85 8.10 478 478 A 27 ASP H A 27 ASP HBx 1.0 2.37 5.20 479 479 A 45 ILE HG2% A 47 THR HG2% 1.0 2.21 4.26 480 480 A 25 ILE HG2% A 25 ILE HG1x 1.0 2.18 4.08 481 481 A 25 ILE HG2% A 49 MET HE% 1.0 2.29 4.71 482 482 A 26 ILE HD1% A 27 ASP HA 1.0 2.77 7.62 483 483 A 25 ILE HD1% A 47 THR HB 1.0 2.34 5.07 484 484 A 25 ILE HD1% A 25 ILE HA 1.0 2.40 5.43 485 485 A 25 ILE HD1% A 49 MET HE% 1.0 2.32 4.92 486 486 A 26 ILE HB A 26 ILE HD1% 1.0 2.27 4.58 487 487 A 45 ILE HD1% A 62 LEU HA 1.0 2.66 6.99 488 488 A 29 ILE HB A 29 ILE HD1% 1.0 2.22 4.29 489 489 A 49 MET HE% A 49 MET HA 1.0 2.54 6.24 490 490 A 12 ARG HA A 12 ARG HDy 1.0 2.75 7.50 491 491 A 12 ARG HA A 12 ARG HDx 1.0 2.75 7.50 492 492 A 19 THR HB A 17 ILE HD1% 1.0 2.50 6.00 493 493 A 16 VAL HA A 17 ILE HG1y 1.0 2.55 6.34 494 494 A 23 LEU HA A 26 ILE HG2% 1.0 2.43 5.56 495 495 A 25 ILE H A 23 LEU HA 1.0 2.82 7.92 496 496 A 52 VAL H A 51 LYS HDx 1.0 2.61 6.69 497 497 A 25 ILE H A 24 ASN HBy 1.0 2.65 6.90 498 498 A 25 ILE H A 24 ASN HBx 1.0 2.65 6.90 499 499 A 47 THR HB A 25 ILE HB 1.0 2.51 6.02 500 500 A 47 THR HA A 26 ILE HA 1.0 2.50 6.00 501 501 A 26 ILE HD1% A 26 ILE HA 1.0 2.45 5.70 502 502 A 25 ILE HD1% A 47 THR HG2% 1.0 2.09 3.58 503 503 A 23 LEU HG A 26 ILE HD1% 1.0 2.51 6.08 504 504 A 45 ILE HB A 45 ILE HD1% 1.0 2.25 4.52 505 505 A 25 ILE HD1% A 25 ILE HB 1.0 2.18 4.08 506 506 A 57 PRO HGy A 58 ARG HA 1.0 2.53 6.14 507 507 A 41 THR HB A 57 PRO HGx 1.0 2.38 5.31 508 508 A 29 ILE HG2% A 29 ILE HA 1.0 2.33 4.98 509 509 A 26 ILE HG2% A 27 ASP H 1.0 2.30 4.84 510 510 A 27 ASP HBx A 48 LYS HA 1.0 2.38 5.26 511 511 A 29 ILE HD1% A 65 LEU HD1% 1.0 2.41 5.46 512 512 A 43 VAL HB A 57 PRO HA 1.0 2.49 5.97 513 513 A 31 VAL HA A 31 VAL HG1% 1.0 2.28 4.64 514 514 A 40 LYS H A 40 LYS HGy 1.0 2.56 6.40 515 515 A 40 LYS H A 40 LYS HGx 1.0 2.56 6.40 516 516 A 47 THR HG2% A 21 VAL HG1% 1.0 2.31 4.89 517 517 A 60 LYS HA A 60 LYS HDx 1.0 2.75 7.50 518 518 A 60 LYS HA A 60 LYS HDy 1.0 2.75 7.50 519 519 A 51 LYS HDy A 53 ILE HA 1.0 2.42 5.50 520 520 A 26 ILE HG1y A 23 LEU HA 1.0 2.26 4.60 521 521 A 47 THR HG2% A 53 ILE HG2% 1.0 2.27 4.58 522 522 A 17 ILE HB A 53 ILE HG2% 1.0 2.36 5.16 523 523 A 48 LYS H A 48 LYS HDx 1.0 2.85 8.10 524 524 A 48 LYS H A 48 LYS HDy 1.0 2.85 8.10 525 525 A 62 LEU HA A 65 LEU HBy 1.0 2.66 6.94 526 526 A 62 LEU HA A 65 LEU HG 1.0 2.78 7.70 527 527 A 29 ILE HG2% A 62 LEU HD1% 1.0 2.39 5.32 528 528 A 66 LEU HD1% A 62 LEU HD1% 1.0 2.48 5.90 529 529 A 45 ILE HD1% A 62 LEU HD1% 1.0 2.21 4.30 530 530 A 65 LEU HBx A 65 LEU HD2% 1.0 2.36 5.16 531 531 A 62 LEU HA A 65 LEU HBx 1.0 2.47 5.82 532 532 A 29 ILE HD1% A 65 LEU HD2% 1.0 2.41 5.46 533 533 A 62 LEU HD1% A 65 LEU HD1% 1.0 2.47 5.84 534 534 A 45 ILE HB A 53 ILE HD1% 1.0 2.31 4.90 535 535 A 65 LEU HA A 68 HIS HBy 1.0 2.51 6.08 536 536 A 65 LEU HA A 68 HIS HBx 1.0 2.51 6.08 537 537 A 67 ARG HA A 70 GLN HBy 1.0 2.45 5.72 538 538 A 67 ARG HA A 70 GLN HBx 1.0 2.45 5.72 539 539 A 74 LEU HBx A 74 LEU HD2% 1.0 2.32 4.94 540 540 A 74 LEU HBx A 74 LEU HD1% 1.0 2.32 4.94 541 541 A 74 LEU HBy A 74 LEU HD1% 1.0 2.32 4.94 542 542 A 79 GLN HA A 80 ALA HB% 1.0 2.49 5.94 543 543 A 61 TRP HBx A 20 VAL HG2% 1.0 2.68 7.11 544 544 A 20 VAL HG2% A 61 TRP HBy 1.0 2.68 7.11 545 545 A 20 VAL HG1% A 61 TRP HBx 1.0 2.68 7.11 546 546 A 20 VAL HG1% A 61 TRP HBy 1.0 2.68 7.11 547 547 A 17 ILE HD1% A 18 SER HA 1.0 2.53 6.20 548 548 A 55 VAL HA A 17 ILE HD1% 1.0 2.78 7.64 549 549 A 17 ILE HD1% A 19 THR HA 1.0 2.59 6.57 550 550 A 59 ALA HB% A 61 TRP H 1.0 2.64 6.84 551 551 A 59 ALA HB% A 60 LYS H 1.0 2.61 6.69 552 552 A 59 ALA HB% A 62 LEU HD2% 1.0 2.49 5.94 553 553 A 55 VAL HA A 17 ILE HG1x 1.0 2.55 6.28 554 554 A 55 VAL HA A 17 ILE HG1y 1.0 2.73 7.42 555 555 A 19 THR H A 17 ILE HG1x 1.0 2.65 6.90 556 556 A 45 ILE HD1% A 61 TRP HZ2 1.0 2.34 5.04 557 557 A 29 ILE HD1% A 62 LEU HD1% 1.0 2.41 5.48 558 558 A 25 ILE HG2% A 25 ILE HA 1.0 2.15 3.92 559 559 A 25 ILE HG2% A 47 THR HB 1.0 2.65 6.90 560 560 A 17 ILE H A 17 ILE HG2% 1.0 2.29 4.70 561 561 A 28 ARG HA A 29 ILE HD1% 1.0 2.63 6.75 562 562 A 29 ILE HD1% A 29 ILE HA 1.0 2.55 6.26 563 563 A 26 ILE HD1% A 26 ILE HG2% 1.0 2.06 3.32 564 564 A 29 ILE HG2% A 30 GLN HA 1.0 2.50 6.04 565 565 A 26 ILE HG2% A 28 ARG HA 1.0 2.45 5.68 566 566 A 26 ILE HG2% A 47 THR HA 1.0 2.57 6.42 567 567 A 29 ILE HG2% A 31 VAL H 1.0 2.45 5.68 568 568 A 53 ILE HD1% A 17 ILE HG1x 1.0 2.61 6.69 569 569 A 45 ILE HG2% A 53 ILE HD1% 1.0 2.23 4.42 570 570 A 45 ILE HD1% A 53 ILE HD1% 1.0 2.28 4.68 571 571 A 17 ILE HB A 53 ILE HD1% 1.0 2.69 7.14 572 572 A 52 VAL HA A 53 ILE HD1% 1.0 2.69 7.16 573 573 A 47 THR HB A 53 ILE HD1% 1.0 2.75 7.50 574 574 A 52 VAL HA A 53 ILE HG2% 1.0 2.44 5.62 575 575 A 26 ILE HA A 45 ILE HG2% 1.0 2.47 5.84 576 576 A 45 ILE HG2% A 46 TRP HA 1.0 2.61 6.68 577 577 A 47 THR HA A 45 ILE HG2% 1.0 2.71 7.24 578 578 A 29 ILE HD1% A 65 LEU HBx 1.0 2.52 6.08 579 579 A 29 ILE HD1% A 65 LEU HBy 1.0 2.45 5.72 580 580 A 52 VAL HG1% A 44 VAL HG1% 1.0 2.44 5.64 581 581 A 27 ASP HBx A 48 LYS HGy 1.0 2.74 7.47 582 582 A 46 TRP HBx A 28 ARG HBx 1.0 2.85 8.10 583 583 A 46 TRP HBx A 28 ARG HBy 1.0 2.85 8.10 584 584 A 28 ARG HBx A 46 TRP HBy 1.0 2.85 8.10 585 585 A 28 ARG HBy A 46 TRP HBy 1.0 2.85 8.10 586 586 A 25 ILE HB A 48 LYS HGy 1.0 2.63 6.78 587 587 A 25 ILE HB A 48 LYS HGx 1.0 2.63 6.78 588 588 A 27 ASP HBx A 48 LYS HGx 1.0 2.74 7.47 589 589 A 50 LYS H A 50 LYS HEy 1.0 2.85 8.10 590 590 A 50 LYS H A 50 LYS HEx 1.0 2.85 8.10 591 591 A 2 LEU H A 2 LEU HBy 1.0 2.12 3.72 592 591 A 2 LEU H A 2 LEU HBx 1.0 2.12 3.72 593 592 A 2 LEU H A 2 LEU HDx% 1.0 2.29 4.70 594 592 A 2 LEU H A 2 LEU HDy% 1.0 2.29 4.70 595 593 A 3 GLU H A 2 LEU HBy 1.0 2.36 5.13 596 593 A 3 GLU H A 2 LEU HBx 1.0 2.36 5.13 597 594 A 3 GLU H A 2 LEU HDx% 1.0 2.42 5.50 598 594 A 3 GLU H A 2 LEU HDy% 1.0 2.42 5.50 599 595 A 3 GLU H A 3 GLU HBx 1.0 2.10 3.64 600 595 A 3 GLU H A 3 GLU HBy 1.0 2.10 3.64 601 596 A 3 GLU H A 3 GLU HG2 1.0 2.27 4.58 602 596 A 3 GLU H A 3 GLU HG3 1.0 2.27 4.58 603 597 A 4 ALA H A 3 GLU HBx 1.0 2.22 4.34 604 597 A 4 ALA H A 3 GLU HBy 1.0 2.22 4.34 605 598 A 4 ALA H A 3 GLU HG2 1.0 2.49 5.91 606 598 A 4 ALA H A 3 GLU HG3 1.0 2.49 5.91 607 599 A 7 THR H A 6 TYR HBx 1.0 2.38 5.26 608 599 A 7 THR H A 6 TYR HBy 1.0 2.38 5.26 609 600 A 9 LEU H A 8 ASN HBy 1.0 2.37 5.22 610 600 A 9 LEU H A 8 ASN HBx 1.0 2.37 5.22 611 601 A 9 LEU H A 9 LEU HBy 1.0 2.16 3.98 612 601 A 9 LEU H A 9 LEU HBx 1.0 2.16 3.98 613 602 A 9 LEU H A 9 LEU HD11 1.0 2.40 5.42 614 602 A 9 LEU H A 9 LEU HD21 1.0 2.40 5.42 615 603 A 10 LYS H A 9 LEU HBy 1.0 2.42 5.50 616 603 A 10 LYS H A 9 LEU HBx 1.0 2.42 5.50 617 604 A 10 LYS H A 9 LEU HD11 1.0 2.50 6.00 618 604 A 10 LYS H A 9 LEU HD21 1.0 2.50 6.00 619 605 A 10 LYS H A 10 LYS HBy 1.0 2.28 4.64 620 605 A 10 LYS H A 10 LYS HBx 1.0 2.28 4.64 621 606 A 10 LYS H A 10 LYS HGx 1.0 2.29 4.71 622 606 A 10 LYS H A 10 LYS HGy 1.0 2.29 4.71 623 607 A 11 CYS H A 10 LYS HGx 1.0 2.50 5.96 624 607 A 11 CYS H A 10 LYS HGy 1.0 2.50 5.96 625 608 A 11 CYS H A 11 CYS HBx 1.0 2.13 3.74 626 608 A 11 CYS H A 11 CYS HBy 1.0 2.13 3.74 627 609 A 11 CYS H A 38 CYS HBx 1.0 2.27 4.62 628 609 A 11 CYS H A 38 CYS HBy 1.0 2.27 4.62 629 610 A 11 CYS HA A 38 CYS HBx 1.0 2.68 7.11 630 610 A 11 CYS HA A 38 CYS HBy 1.0 2.68 7.11 631 611 A 12 ARG H A 11 CYS HBx 1.0 2.30 4.76 632 611 A 12 ARG H A 11 CYS HBy 1.0 2.30 4.76 633 612 A 12 ARG H A 12 ARG HBx 1.0 2.22 4.34 634 612 A 12 ARG H A 12 ARG HBy 1.0 2.22 4.34 635 613 A 12 ARG H A 12 ARG HGy 1.0 2.42 5.54 636 613 A 12 ARG H A 12 ARG HGx 1.0 2.42 5.54 637 614 A 12 ARG HA A 12 ARG HGy 1.0 2.29 4.70 638 614 A 12 ARG HA A 12 ARG HGx 1.0 2.29 4.70 639 615 A 12 ARG HA A 12 ARG HDx 1.0 2.53 6.22 640 615 A 12 ARG HA A 12 ARG HDy 1.0 2.53 6.22 641 616 A 13 CYS H A 12 ARG HBx 1.0 2.28 4.72 642 616 A 13 CYS H A 12 ARG HBy 1.0 2.28 4.72 643 617 A 13 CYS H A 13 CYS HBy 1.0 2.17 4.00 644 617 A 13 CYS H A 13 CYS HBx 1.0 2.17 4.00 645 618 A 16 VAL H A 15 GLY HAx 1.0 2.06 3.36 646 618 A 16 VAL H A 15 GLY HAy 1.0 2.06 3.36 647 619 A 16 VAL H A 16 VAL HG2% 1.0 2.09 3.52 648 619 A 16 VAL H A 16 VAL HG1% 1.0 2.09 3.52 649 620 A 17 ILE H A 16 VAL HG2% 1.0 2.26 4.60 650 620 A 17 ILE H A 16 VAL HG1% 1.0 2.26 4.60 651 621 A 16 VAL HG2% A 54 CYS HBy 1.0 2.61 6.69 652 621 A 16 VAL HG1% A 54 CYS HBy 1.0 2.61 6.69 653 621 A 54 CYS HBx A 16 VAL HG2% 1.0 2.61 6.69 654 621 A 16 VAL HG1% A 54 CYS HBx 1.0 2.61 6.69 655 622 A 17 ILE H A 55 VAL HG2% 1.0 2.43 5.56 656 622 A 17 ILE H A 55 VAL HG1% 1.0 2.43 5.56 657 623 A 17 ILE HG1x A 55 VAL HG2% 1.0 2.31 4.89 658 623 A 17 ILE HG1x A 55 VAL HG1% 1.0 2.31 4.89 659 624 A 19 THR H A 18 SER HBx 1.0 2.40 5.37 660 624 A 19 THR H A 18 SER HBy 1.0 2.40 5.37 661 625 A 19 THR HA A 20 VAL HG2% 1.0 2.54 6.28 662 625 A 19 THR HA A 20 VAL HG1% 1.0 2.54 6.28 663 626 A 20 VAL H A 20 VAL HG2% 1.0 2.26 4.56 664 626 A 20 VAL H A 20 VAL HG1% 1.0 2.26 4.56 665 627 A 21 VAL H A 20 VAL HG2% 1.0 2.45 5.73 666 627 A 20 VAL HG1% A 21 VAL H 1.0 2.45 5.73 667 628 A 20 VAL HG1% A 21 VAL HG2% 1.0 2.58 6.48 668 628 A 20 VAL HG2% A 21 VAL HG2% 1.0 2.58 6.48 669 628 A 21 VAL HG1% A 20 VAL HG2% 1.0 2.58 6.48 670 628 A 20 VAL HG1% A 21 VAL HG1% 1.0 2.58 6.48 671 629 A 20 VAL HG1% A 61 TRP HBy 1.0 2.35 5.14 672 629 A 20 VAL HG2% A 61 TRP HBy 1.0 2.35 5.14 673 629 A 61 TRP HBx A 20 VAL HG2% 1.0 2.35 5.14 674 629 A 20 VAL HG1% A 61 TRP HBx 1.0 2.35 5.14 675 630 A 61 TRP HE3 A 20 VAL HG2% 1.0 2.63 6.78 676 630 A 20 VAL HG1% A 61 TRP HE3 1.0 2.63 6.78 677 631 A 61 TRP HE1 A 20 VAL HG2% 1.0 2.62 6.72 678 631 A 61 TRP HE1 A 20 VAL HG1% 1.0 2.62 6.72 679 632 A 22 GLY H A 21 VAL HG2% 1.0 2.15 3.92 680 632 A 22 GLY H A 21 VAL HG1% 1.0 2.15 3.92 681 633 A 21 VAL HG2% A 22 GLY HAx 1.0 2.37 5.22 682 633 A 21 VAL HG1% A 22 GLY HAx 1.0 2.37 5.22 683 633 A 22 GLY HAy A 21 VAL HG2% 1.0 2.37 5.22 684 633 A 21 VAL HG1% A 22 GLY HAy 1.0 2.37 5.22 685 634 A 24 ASN H A 21 VAL HG2% 1.0 2.75 7.46 686 634 A 24 ASN H A 21 VAL HG1% 1.0 2.75 7.46 687 635 A 25 ILE H A 21 VAL HG2% 1.0 2.40 5.37 688 635 A 25 ILE H A 21 VAL HG1% 1.0 2.40 5.37 689 636 A 25 ILE HA A 21 VAL HG2% 1.0 2.74 7.47 690 636 A 25 ILE HA A 21 VAL HG1% 1.0 2.74 7.47 691 637 A 25 ILE HB A 21 VAL HG2% 1.0 2.43 5.56 692 637 A 25 ILE HB A 21 VAL HG1% 1.0 2.43 5.56 693 638 A 21 VAL HG2% A 25 ILE HG1y 1.0 2.22 4.29 694 638 A 21 VAL HG1% A 25 ILE HG1y 1.0 2.22 4.29 695 638 A 25 ILE HG1x A 21 VAL HG2% 1.0 2.22 4.29 696 638 A 21 VAL HG1% A 25 ILE HG1x 1.0 2.22 4.29 697 639 A 25 ILE HD1% A 21 VAL HG2% 1.0 2.03 3.22 698 639 A 25 ILE HD1% A 21 VAL HG1% 1.0 2.03 3.22 699 640 A 26 ILE H A 21 VAL HG2% 1.0 2.61 6.68 700 640 A 26 ILE H A 21 VAL HG1% 1.0 2.61 6.68 701 641 A 26 ILE HG1y A 21 VAL HG2% 1.0 2.23 4.42 702 641 A 26 ILE HG1y A 21 VAL HG1% 1.0 2.23 4.42 703 642 A 26 ILE HD1% A 21 VAL HG2% 1.0 2.12 3.70 704 642 A 26 ILE HD1% A 21 VAL HG1% 1.0 2.12 3.70 705 643 A 47 THR HA A 21 VAL HG2% 1.0 2.54 6.20 706 643 A 47 THR HA A 21 VAL HG1% 1.0 2.54 6.20 707 644 A 47 THR HG2% A 21 VAL HG2% 1.0 2.15 3.92 708 644 A 47 THR HG2% A 21 VAL HG1% 1.0 2.15 3.92 709 645 A 48 LYS H A 21 VAL HG2% 1.0 2.61 6.68 710 645 A 48 LYS H A 21 VAL HG1% 1.0 2.61 6.68 711 646 A 21 VAL HG2% A 53 ILE HG1y 1.0 2.38 5.26 712 646 A 21 VAL HG1% A 53 ILE HG1y 1.0 2.38 5.26 713 646 A 53 ILE HG1x A 21 VAL HG2% 1.0 2.38 5.26 714 646 A 21 VAL HG1% A 53 ILE HG1x 1.0 2.38 5.26 715 647 A 53 ILE HD1% A 21 VAL HG2% 1.0 2.16 3.94 716 647 A 53 ILE HD1% A 21 VAL HG1% 1.0 2.16 3.94 717 648 A 61 TRP HE1 A 21 VAL HG2% 1.0 2.73 7.40 718 648 A 61 TRP HE1 A 21 VAL HG1% 1.0 2.73 7.40 719 649 A 61 TRP HZ3 A 21 VAL HG2% 1.0 2.62 6.72 720 649 A 61 TRP HZ3 A 21 VAL HG1% 1.0 2.62 6.72 721 650 A 61 TRP HZ2 A 21 VAL HG2% 1.0 2.37 5.20 722 650 A 61 TRP HZ2 A 21 VAL HG1% 1.0 2.37 5.20 723 651 A 61 TRP HH2 A 21 VAL HG2% 1.0 2.30 4.80 724 651 A 61 TRP HH2 A 21 VAL HG1% 1.0 2.30 4.80 725 652 A 22 GLY H A 25 ILE HG1y 1.0 2.40 5.43 726 652 A 22 GLY H A 25 ILE HG1x 1.0 2.40 5.43 727 653 A 23 LEU H A 22 GLY HAx 1.0 2.10 3.64 728 653 A 23 LEU H A 22 GLY HAy 1.0 2.10 3.64 729 654 A 24 ASN H A 22 GLY HAx 1.0 2.25 4.52 730 654 A 24 ASN H A 22 GLY HAy 1.0 2.25 4.52 731 655 A 25 ILE HD1% A 22 GLY HAx 1.0 2.27 4.62 732 655 A 25 ILE HD1% A 22 GLY HAy 1.0 2.27 4.62 733 656 A 23 LEU H A 23 LEU HBy 1.0 2.16 3.94 734 656 A 23 LEU H A 23 LEU HBx 1.0 2.16 3.94 735 657 A 23 LEU H A 23 LEU HD1% 1.0 2.49 5.97 736 657 A 23 LEU H A 23 LEU HD2% 1.0 2.49 5.97 737 658 A 23 LEU HA A 23 LEU HD1% 1.0 2.10 3.64 738 658 A 23 LEU HA A 23 LEU HD2% 1.0 2.10 3.64 739 659 A 23 LEU HA A 65 LEU HD1% 1.0 2.32 4.88 740 659 A 23 LEU HA A 65 LEU HD2% 1.0 2.32 4.88 741 660 A 23 LEU HBy A 23 LEU HD1% 1.0 2.07 3.38 742 660 A 23 LEU HD2% A 23 LEU HBy 1.0 2.07 3.38 743 660 A 23 LEU HBx A 23 LEU HD2% 1.0 2.07 3.38 744 660 A 23 LEU HBx A 23 LEU HD1% 1.0 2.07 3.38 745 661 A 24 ASN H A 23 LEU HBy 1.0 2.20 4.24 746 661 A 24 ASN H A 23 LEU HBx 1.0 2.20 4.24 747 662 A 25 ILE H A 23 LEU HBy 1.0 2.66 6.98 748 662 A 25 ILE H A 23 LEU HBx 1.0 2.66 6.98 749 663 A 23 LEU HBy A 65 LEU HD1% 1.0 2.33 5.02 750 663 A 65 LEU HD2% A 23 LEU HBy 1.0 2.33 5.02 751 663 A 23 LEU HBx A 65 LEU HD2% 1.0 2.33 5.02 752 663 A 23 LEU HBx A 65 LEU HD1% 1.0 2.33 5.02 753 664 A 23 LEU HG A 65 LEU HD1% 1.0 2.16 3.94 754 664 A 23 LEU HG A 65 LEU HD2% 1.0 2.16 3.94 755 665 A 26 ILE HB A 23 LEU HD1% 1.0 2.33 4.96 756 665 A 26 ILE HB A 23 LEU HD2% 1.0 2.33 4.96 757 666 A 26 ILE HG1y A 23 LEU HD1% 1.0 2.49 5.94 758 666 A 26 ILE HG1y A 23 LEU HD2% 1.0 2.49 5.94 759 667 A 65 LEU HBx A 23 LEU HD1% 1.0 2.46 5.74 760 667 A 65 LEU HBx A 23 LEU HD2% 1.0 2.46 5.74 761 668 A 23 LEU HD2% A 65 LEU HD1% 1.0 2.18 4.10 762 668 A 23 LEU HD1% A 65 LEU HD1% 1.0 2.18 4.10 763 668 A 65 LEU HD2% A 23 LEU HD1% 1.0 2.18 4.10 764 668 A 23 LEU HD2% A 65 LEU HD2% 1.0 2.18 4.10 765 669 A 24 ASN H A 25 ILE HG1y 1.0 2.47 5.84 766 669 A 24 ASN H A 25 ILE HG1x 1.0 2.47 5.84 767 670 A 25 ILE HG2% A 24 ASN HBx 1.0 2.32 4.96 768 670 A 25 ILE HG2% A 24 ASN HBy 1.0 2.32 4.96 769 671 A 25 ILE H A 25 ILE HG1y 1.0 2.23 4.42 770 671 A 25 ILE H A 25 ILE HG1x 1.0 2.23 4.42 771 672 A 25 ILE HG2% A 25 ILE HG1y 1.0 2.06 3.39 772 672 A 25 ILE HG2% A 25 ILE HG1x 1.0 2.06 3.39 773 673 A 25 ILE HG2% A 49 MET HGy 1.0 2.81 7.82 774 673 A 25 ILE HG2% A 49 MET HGx 1.0 2.81 7.82 775 674 A 25 ILE HD1% A 48 LYS HBy 1.0 2.61 6.69 776 674 A 25 ILE HD1% A 48 LYS HBx 1.0 2.61 6.69 777 675 A 25 ILE HD1% A 49 MET HGy 1.0 2.81 7.82 778 675 A 25 ILE HD1% A 49 MET HGx 1.0 2.81 7.82 779 676 A 26 ILE HA A 65 LEU HD1% 1.0 2.83 7.98 780 676 A 26 ILE HA A 65 LEU HD2% 1.0 2.83 7.98 781 677 A 26 ILE HG2% A 65 LEU HD1% 1.0 2.34 5.07 782 677 A 26 ILE HG2% A 65 LEU HD2% 1.0 2.34 5.07 783 678 A 27 ASP HBx A 48 LYS HBy 1.0 2.59 6.58 784 678 A 27 ASP HBx A 48 LYS HBx 1.0 2.59 6.58 785 679 A 27 ASP HBx A 48 LYS HGy 1.0 2.53 6.20 786 679 A 27 ASP HBx A 48 LYS HGx 1.0 2.53 6.20 787 680 A 28 ARG H A 46 TRP HBy 1.0 2.32 4.92 788 680 A 28 ARG H A 46 TRP HBx 1.0 2.32 4.92 789 681 A 29 ILE H A 28 ARG HBy 1.0 2.38 5.31 790 681 A 29 ILE H A 28 ARG HBx 1.0 2.38 5.31 791 682 A 46 TRP H A 28 ARG HBy 1.0 2.59 6.52 792 682 A 46 TRP H A 28 ARG HBx 1.0 2.59 6.52 793 683 A 28 ARG HBy A 46 TRP HBy 1.0 2.43 5.61 794 683 A 28 ARG HBx A 46 TRP HBy 1.0 2.43 5.61 795 683 A 46 TRP HBx A 28 ARG HBy 1.0 2.43 5.61 796 683 A 46 TRP HBx A 28 ARG HBx 1.0 2.43 5.61 797 684 A 29 ILE H A 28 ARG HGy 1.0 2.46 5.76 798 684 A 29 ILE H A 28 ARG HGx 1.0 2.46 5.76 799 685 A 29 ILE HG2% A 29 ILE HG1y 1.0 2.19 4.16 800 685 A 29 ILE HG2% A 29 ILE HG1x 1.0 2.19 4.16 801 686 A 29 ILE HG2% A 45 ILE HG1y 1.0 2.31 4.86 802 686 A 29 ILE HG2% A 45 ILE HG1x 1.0 2.31 4.86 803 687 A 30 GLN H A 29 ILE HG1y 1.0 2.59 6.58 804 687 A 30 GLN H A 29 ILE HG1x 1.0 2.59 6.58 805 688 A 65 LEU HG A 29 ILE HG1y 1.0 2.34 5.07 806 688 A 65 LEU HG A 29 ILE HG1x 1.0 2.34 5.07 807 689 A 29 ILE HD1% A 65 LEU HD1% 1.0 2.24 4.41 808 689 A 29 ILE HD1% A 65 LEU HD2% 1.0 2.24 4.41 809 690 A 30 GLN H A 30 GLN HGx 1.0 2.44 5.64 810 690 A 30 GLN H A 30 GLN HGy 1.0 2.44 5.64 811 691 A 30 GLN H A 44 VAL HG2% 1.0 2.71 7.28 812 691 A 30 GLN H A 44 VAL HG1% 1.0 2.71 7.28 813 692 A 44 VAL H A 30 GLN HBx 1.0 2.47 5.84 814 692 A 44 VAL H A 30 GLN HBy 1.0 2.47 5.84 815 693 A 31 VAL H A 30 GLN HGx 1.0 2.41 5.49 816 693 A 31 VAL H A 30 GLN HGy 1.0 2.41 5.49 817 694 A 44 VAL H A 30 GLN HGx 1.0 2.51 6.10 818 694 A 44 VAL H A 30 GLN HGy 1.0 2.51 6.10 819 695 A 31 VAL H A 31 VAL HG2% 1.0 2.34 5.04 820 695 A 31 VAL H A 31 VAL HG1% 1.0 2.34 5.04 821 696 A 31 VAL HA A 31 VAL HG2% 1.0 2.14 3.82 822 696 A 31 VAL HA A 31 VAL HG1% 1.0 2.14 3.82 823 697 A 32 THR H A 31 VAL HG2% 1.0 2.34 5.04 824 697 A 32 THR H A 31 VAL HG1% 1.0 2.34 5.04 825 698 A 41 THR HG2% A 31 VAL HG2% 1.0 2.19 4.16 826 698 A 41 THR HG2% A 31 VAL HG1% 1.0 2.19 4.16 827 699 A 42 GLU H A 31 VAL HG2% 1.0 2.49 5.94 828 699 A 42 GLU H A 31 VAL HG1% 1.0 2.49 5.94 829 700 A 43 VAL HG1% A 31 VAL HG2% 1.0 2.08 3.50 830 700 A 43 VAL HG1% A 31 VAL HG1% 1.0 2.08 3.50 831 701 A 43 VAL HG2% A 31 VAL HG2% 1.0 2.11 3.63 832 701 A 43 VAL HG2% A 31 VAL HG1% 1.0 2.11 3.63 833 702 A 32 THR H A 42 GLU HBx 1.0 2.67 7.00 834 702 A 32 THR H A 42 GLU HBy 1.0 2.67 7.00 835 703 A 33 PRO HBy A 34 PRO HDx 1.0 2.29 4.78 836 703 A 33 PRO HBx A 34 PRO HDx 1.0 2.29 4.78 837 703 A 34 PRO HDy A 33 PRO HBx 1.0 2.29 4.78 838 703 A 33 PRO HBy A 34 PRO HDy 1.0 2.29 4.78 839 704 A 38 CYS H A 38 CYS HBx 1.0 2.25 4.48 840 704 A 38 CYS H A 38 CYS HBy 1.0 2.25 4.48 841 705 A 40 LYS H A 40 LYS HBy 1.0 2.20 4.24 842 705 A 40 LYS H A 40 LYS HBx 1.0 2.20 4.24 843 706 A 40 LYS H A 40 LYS HGy 1.0 2.40 5.42 844 706 A 40 LYS H A 40 LYS HGx 1.0 2.40 5.42 845 707 A 41 THR H A 40 LYS HBy 1.0 2.29 4.78 846 707 A 41 THR H A 40 LYS HBx 1.0 2.29 4.78 847 708 A 41 THR H A 40 LYS HDx 1.0 2.67 7.04 848 708 A 41 THR H A 40 LYS HDy 1.0 2.67 7.04 849 709 A 41 THR HG2% A 57 PRO HBx 1.0 2.26 4.56 850 709 A 41 THR HG2% A 57 PRO HBy 1.0 2.26 4.56 851 710 A 43 VAL H A 42 GLU HBx 1.0 2.36 5.16 852 710 A 43 VAL H A 42 GLU HBy 1.0 2.36 5.16 853 711 A 42 GLU HBy A 44 VAL HG2% 1.0 2.44 5.64 854 711 A 42 GLU HBx A 44 VAL HG2% 1.0 2.44 5.64 855 711 A 44 VAL HG1% A 42 GLU HBx 1.0 2.44 5.64 856 711 A 44 VAL HG1% A 42 GLU HBy 1.0 2.44 5.64 857 712 A 43 VAL H A 42 GLU HGx 1.0 2.40 5.42 858 712 A 43 VAL H A 42 GLU HGy 1.0 2.40 5.42 859 713 A 43 VAL H A 44 VAL HG2% 1.0 2.40 5.38 860 713 A 43 VAL H A 44 VAL HG1% 1.0 2.40 5.38 861 714 A 43 VAL H A 55 VAL HG2% 1.0 2.45 5.70 862 714 A 43 VAL H A 55 VAL HG1% 1.0 2.45 5.70 863 715 A 43 VAL HB A 55 VAL HG2% 1.0 2.23 4.42 864 715 A 43 VAL HB A 55 VAL HG1% 1.0 2.23 4.42 865 716 A 43 VAL HG1% A 55 VAL HG2% 1.0 2.14 3.84 866 716 A 43 VAL HG1% A 55 VAL HG1% 1.0 2.14 3.84 867 717 A 44 VAL H A 44 VAL HG2% 1.0 2.32 4.92 868 717 A 44 VAL H A 44 VAL HG1% 1.0 2.32 4.92 869 718 A 45 ILE H A 44 VAL HG2% 1.0 2.29 4.78 870 718 A 45 ILE H A 44 VAL HG1% 1.0 2.29 4.78 871 719 A 46 TRP HD1 A 44 VAL HG2% 1.0 2.51 6.06 872 719 A 46 TRP HD1 A 44 VAL HG1% 1.0 2.51 6.06 873 720 A 46 TRP HE1 A 44 VAL HG2% 1.0 2.39 5.36 874 720 A 46 TRP HE1 A 44 VAL HG1% 1.0 2.39 5.36 875 721 A 52 VAL HA A 44 VAL HG2% 1.0 2.83 7.98 876 721 A 52 VAL HA A 44 VAL HG1% 1.0 2.83 7.98 877 722 A 52 VAL HB A 44 VAL HG2% 1.0 2.71 7.26 878 722 A 52 VAL HB A 44 VAL HG1% 1.0 2.71 7.26 879 723 A 52 VAL HG1% A 44 VAL HG2% 1.0 2.26 4.60 880 723 A 52 VAL HG1% A 44 VAL HG1% 1.0 2.26 4.60 881 724 A 53 ILE H A 44 VAL HG2% 1.0 2.47 5.86 882 724 A 53 ILE H A 44 VAL HG1% 1.0 2.47 5.86 883 725 A 54 CYS HA A 44 VAL HG2% 1.0 2.49 5.97 884 725 A 54 CYS HA A 44 VAL HG1% 1.0 2.49 5.97 885 726 A 44 VAL HG2% A 54 CYS HBy 1.0 2.48 5.90 886 726 A 44 VAL HG1% A 54 CYS HBy 1.0 2.48 5.90 887 726 A 54 CYS HBx A 44 VAL HG2% 1.0 2.48 5.90 888 726 A 54 CYS HBx A 44 VAL HG1% 1.0 2.48 5.90 889 727 A 45 ILE H A 45 ILE HG1y 1.0 2.39 5.34 890 727 A 45 ILE H A 45 ILE HG1x 1.0 2.39 5.34 891 728 A 45 ILE H A 53 ILE HG1y 1.0 2.49 5.91 892 728 A 45 ILE H A 53 ILE HG1x 1.0 2.49 5.91 893 729 A 45 ILE HA A 53 ILE HG1y 1.0 2.63 6.78 894 729 A 45 ILE HA A 53 ILE HG1x 1.0 2.63 6.78 895 730 A 46 TRP H A 46 TRP HBy 1.0 2.27 4.59 896 730 A 46 TRP H A 46 TRP HBx 1.0 2.27 4.59 897 731 A 47 THR H A 46 TRP HBy 1.0 2.41 5.44 898 731 A 47 THR H A 46 TRP HBx 1.0 2.41 5.44 899 732 A 47 THR HG2% A 51 LYS HBx 1.0 2.27 4.58 900 732 A 47 THR HG2% A 51 LYS HBy 1.0 2.27 4.58 901 733 A 47 THR HG2% A 51 LYS HGy 1.0 2.57 6.38 902 733 A 47 THR HG2% A 51 LYS HGx 1.0 2.57 6.38 903 734 A 47 THR HG2% A 53 ILE HG1y 1.0 2.63 6.81 904 734 A 47 THR HG2% A 53 ILE HG1x 1.0 2.63 6.81 905 735 A 48 LYS H A 48 LYS HBy 1.0 2.14 3.84 906 735 A 48 LYS H A 48 LYS HBx 1.0 2.14 3.84 907 736 A 48 LYS H A 48 LYS HGy 1.0 2.20 4.22 908 736 A 48 LYS H A 48 LYS HGx 1.0 2.20 4.22 909 737 A 48 LYS H A 48 LYS HDy 1.0 2.65 6.92 910 737 A 48 LYS H A 48 LYS HDx 1.0 2.65 6.92 911 738 A 48 LYS HBy A 48 LYS HDy 1.0 2.17 4.02 912 738 A 48 LYS HDx A 48 LYS HBy 1.0 2.17 4.02 913 738 A 48 LYS HBx A 48 LYS HDx 1.0 2.17 4.02 914 738 A 48 LYS HBx A 48 LYS HDy 1.0 2.17 4.02 915 739 A 49 MET H A 49 MET HBy 1.0 2.16 3.96 916 739 A 49 MET H A 49 MET HBx 1.0 2.16 3.96 917 740 A 49 MET HA A 50 LYS HGy 1.0 2.61 6.63 918 740 A 49 MET HA A 50 LYS HGx 1.0 2.61 6.63 919 741 A 50 LYS H A 49 MET HBy 1.0 2.34 5.06 920 741 A 50 LYS H A 49 MET HBx 1.0 2.34 5.06 921 742 A 50 LYS H A 49 MET HGy 1.0 2.58 6.44 922 742 A 50 LYS H A 49 MET HGx 1.0 2.58 6.44 923 743 A 50 LYS H A 50 LYS HBy 1.0 2.21 4.26 924 743 A 50 LYS H A 50 LYS HBx 1.0 2.21 4.26 925 744 A 50 LYS H A 50 LYS HGy 1.0 2.40 5.37 926 744 A 50 LYS H A 50 LYS HGx 1.0 2.40 5.37 927 745 A 50 LYS H A 50 LYS HDx 1.0 2.34 5.07 928 745 A 50 LYS H A 50 LYS HDy 1.0 2.34 5.07 929 746 A 50 LYS HA A 50 LYS HGy 1.0 2.27 4.66 930 746 A 50 LYS HA A 50 LYS HGx 1.0 2.27 4.66 931 747 A 50 LYS HBy A 50 LYS HDx 1.0 2.18 4.10 932 747 A 50 LYS HBx A 50 LYS HDx 1.0 2.18 4.10 933 747 A 50 LYS HDy A 50 LYS HBy 1.0 2.18 4.10 934 747 A 50 LYS HBx A 50 LYS HDy 1.0 2.18 4.10 935 748 A 50 LYS HEx A 50 LYS HGy 1.0 2.18 4.10 936 748 A 50 LYS HEy A 50 LYS HGy 1.0 2.18 4.10 937 748 A 50 LYS HGx A 50 LYS HEx 1.0 2.18 4.10 938 748 A 50 LYS HGx A 50 LYS HEy 1.0 2.18 4.10 939 749 A 51 LYS H A 50 LYS HGy 1.0 2.71 7.26 940 749 A 51 LYS H A 50 LYS HGx 1.0 2.71 7.26 941 750 A 51 LYS H A 51 LYS HBx 1.0 2.18 4.08 942 750 A 51 LYS H A 51 LYS HBy 1.0 2.18 4.08 943 751 A 51 LYS H A 51 LYS HGy 1.0 2.45 5.73 944 751 A 51 LYS H A 51 LYS HGx 1.0 2.45 5.73 945 752 A 52 VAL H A 51 LYS HBx 1.0 2.40 5.40 946 752 A 52 VAL H A 51 LYS HBy 1.0 2.40 5.40 947 753 A 51 LYS HEy A 51 LYS HGy 1.0 2.12 3.72 948 753 A 51 LYS HEx A 51 LYS HGy 1.0 2.12 3.72 949 753 A 51 LYS HGx A 51 LYS HEy 1.0 2.12 3.72 950 753 A 51 LYS HGx A 51 LYS HEx 1.0 2.12 3.72 951 754 A 53 ILE HG2% A 51 LYS HGy 1.0 2.32 4.88 952 754 A 53 ILE HG2% A 51 LYS HGx 1.0 2.32 4.88 953 755 A 53 ILE HG2% A 51 LYS HEy 1.0 2.50 5.96 954 755 A 53 ILE HG2% A 51 LYS HEx 1.0 2.50 5.96 955 756 A 53 ILE HD1% A 51 LYS HEy 1.0 2.71 7.24 956 756 A 53 ILE HD1% A 51 LYS HEx 1.0 2.71 7.24 957 757 A 53 ILE H A 53 ILE HG1y 1.0 2.31 4.89 958 757 A 53 ILE H A 53 ILE HG1x 1.0 2.31 4.89 959 758 A 53 ILE HG2% A 53 ILE HG1y 1.0 2.04 3.27 960 758 A 53 ILE HG2% A 53 ILE HG1x 1.0 2.04 3.27 961 759 A 54 CYS H A 54 CYS HBy 1.0 2.24 4.41 962 759 A 54 CYS H A 54 CYS HBx 1.0 2.24 4.41 963 760 A 54 CYS H A 55 VAL HG2% 1.0 2.53 6.14 964 760 A 54 CYS H A 55 VAL HG1% 1.0 2.53 6.14 965 761 A 54 CYS HBx A 55 VAL HG2% 1.0 2.77 7.58 966 761 A 54 CYS HBy A 55 VAL HG2% 1.0 2.77 7.58 967 761 A 55 VAL HG1% A 54 CYS HBy 1.0 2.77 7.58 968 761 A 54 CYS HBx A 55 VAL HG1% 1.0 2.77 7.58 969 762 A 55 VAL H A 55 VAL HG2% 1.0 2.26 4.60 970 762 A 55 VAL H A 55 VAL HG1% 1.0 2.26 4.60 971 763 A 61 TRP HZ2 A 55 VAL HG2% 1.0 2.29 4.74 972 763 A 61 TRP HZ2 A 55 VAL HG1% 1.0 2.29 4.74 973 764 A 62 LEU HD1% A 55 VAL HG2% 1.0 2.36 5.16 974 764 A 62 LEU HD1% A 55 VAL HG1% 1.0 2.36 5.16 975 765 A 62 LEU HD2% A 55 VAL HG2% 1.0 2.30 4.76 976 765 A 62 LEU HD2% A 55 VAL HG1% 1.0 2.30 4.76 977 766 A 59 ALA HB% A 56 ASN HBx 1.0 2.33 4.96 978 766 A 59 ALA HB% A 56 ASN HBy 1.0 2.33 4.96 979 767 A 58 ARG H A 57 PRO HBx 1.0 2.36 5.16 980 767 A 58 ARG H A 57 PRO HBy 1.0 2.36 5.16 981 768 A 58 ARG H A 57 PRO HDx 1.0 2.47 5.82 982 768 A 58 ARG H A 57 PRO HDy 1.0 2.47 5.82 983 769 A 58 ARG H A 58 ARG HBy 1.0 2.19 4.18 984 769 A 58 ARG H A 58 ARG HBx 1.0 2.19 4.18 985 770 A 58 ARG H A 58 ARG HGy 1.0 2.23 4.40 986 770 A 58 ARG H A 58 ARG HGx 1.0 2.23 4.40 987 771 A 58 ARG HA A 58 ARG HDy 1.0 2.35 5.14 988 771 A 58 ARG HA A 58 ARG HDx 1.0 2.35 5.14 989 772 A 58 ARG HBy A 58 ARG HDy 1.0 2.15 3.88 990 772 A 58 ARG HBx A 58 ARG HDy 1.0 2.15 3.88 991 772 A 58 ARG HDx A 58 ARG HBy 1.0 2.15 3.88 992 772 A 58 ARG HBx A 58 ARG HDx 1.0 2.15 3.88 993 773 A 59 ALA HB% A 62 LEU HBy 1.0 2.34 5.02 994 773 A 59 ALA HB% A 62 LEU HBx 1.0 2.34 5.02 995 774 A 60 LYS HA A 60 LYS HDy 1.0 2.57 6.38 996 774 A 60 LYS HA A 60 LYS HDx 1.0 2.57 6.38 997 775 A 60 LYS HA A 63 GLN HBy 1.0 2.43 5.60 998 775 A 60 LYS HA A 63 GLN HBx 1.0 2.43 5.60 999 776 A 60 LYS HBx A 60 LYS HDy 1.0 2.18 4.06 1000 776 A 60 LYS HBy A 60 LYS HDy 1.0 2.18 4.06 1001 776 A 60 LYS HDx A 60 LYS HBx 1.0 2.18 4.06 1002 776 A 60 LYS HDx A 60 LYS HBy 1.0 2.18 4.06 1003 777 A 61 TRP H A 60 LYS HBx 1.0 2.40 5.38 1004 777 A 61 TRP H A 60 LYS HBy 1.0 2.40 5.38 1005 778 A 61 TRP HE3 A 65 LEU HD1% 1.0 2.32 4.92 1006 778 A 61 TRP HE3 A 65 LEU HD2% 1.0 2.32 4.92 1007 779 A 61 TRP HZ3 A 65 LEU HD1% 1.0 2.21 4.30 1008 779 A 61 TRP HZ3 A 65 LEU HD2% 1.0 2.21 4.30 1009 780 A 61 TRP HH2 A 65 LEU HD1% 1.0 2.78 7.64 1010 780 A 61 TRP HH2 A 65 LEU HD2% 1.0 2.78 7.64 1011 781 A 62 LEU H A 62 LEU HBy 1.0 2.22 4.34 1012 781 A 62 LEU H A 62 LEU HBx 1.0 2.22 4.34 1013 782 A 62 LEU HA A 65 LEU HD1% 1.0 2.33 5.02 1014 782 A 62 LEU HA A 65 LEU HD2% 1.0 2.33 5.02 1015 783 A 63 GLN H A 62 LEU HBy 1.0 2.33 4.98 1016 783 A 63 GLN H A 62 LEU HBx 1.0 2.33 4.98 1017 784 A 62 LEU HD1% A 65 LEU HD1% 1.0 2.29 4.74 1018 784 A 62 LEU HD1% A 65 LEU HD2% 1.0 2.29 4.74 1019 785 A 63 GLN H A 63 GLN HBy 1.0 2.19 4.18 1020 785 A 63 GLN H A 63 GLN HBx 1.0 2.19 4.18 1021 786 A 63 GLN H A 63 GLN HGx 1.0 2.25 4.50 1022 786 A 63 GLN H A 63 GLN HGy 1.0 2.25 4.50 1023 787 A 64 ARG H A 63 GLN HBy 1.0 2.31 4.90 1024 787 A 64 ARG H A 63 GLN HBx 1.0 2.31 4.90 1025 788 A 64 ARG H A 64 ARG HBx 1.0 2.16 3.94 1026 788 A 64 ARG H A 64 ARG HBy 1.0 2.16 3.94 1027 789 A 64 ARG H A 64 ARG HGy 1.0 2.31 4.86 1028 789 A 64 ARG H A 64 ARG HGx 1.0 2.31 4.86 1029 790 A 64 ARG H A 65 LEU HD1% 1.0 2.50 6.00 1030 790 A 64 ARG H A 65 LEU HD2% 1.0 2.50 6.00 1031 791 A 65 LEU H A 64 ARG HBx 1.0 2.45 5.70 1032 791 A 65 LEU H A 64 ARG HBy 1.0 2.45 5.70 1033 792 A 65 LEU H A 65 LEU HD1% 1.0 2.50 6.02 1034 792 A 65 LEU H A 65 LEU HD2% 1.0 2.50 6.02 1035 793 A 65 LEU HA A 65 LEU HD1% 1.0 2.16 3.96 1036 793 A 65 LEU HA A 65 LEU HD2% 1.0 2.16 3.96 1037 794 A 66 LEU H A 65 LEU HD1% 1.0 2.38 5.30 1038 794 A 66 LEU H A 65 LEU HD2% 1.0 2.38 5.30 1039 795 A 65 LEU HD1% A 68 HIS HBy 1.0 2.33 5.00 1040 795 A 65 LEU HD2% A 68 HIS HBy 1.0 2.33 5.00 1041 795 A 68 HIS HBx A 65 LEU HD1% 1.0 2.33 5.00 1042 795 A 65 LEU HD2% A 68 HIS HBx 1.0 2.33 5.00 1043 796 A 66 LEU H A 66 LEU HBy 1.0 2.22 4.34 1044 796 A 66 LEU H A 66 LEU HBx 1.0 2.22 4.34 1045 797 A 66 LEU HA A 69 VAL HGx% 1.0 2.27 4.66 1046 797 A 66 LEU HA A 69 VAL HGy% 1.0 2.27 4.66 1047 798 A 66 LEU HD1% A 66 LEU HBy 1.0 2.17 4.02 1048 798 A 66 LEU HD1% A 66 LEU HBx 1.0 2.17 4.02 1049 799 A 67 ARG H A 66 LEU HBy 1.0 2.35 5.10 1050 799 A 67 ARG H A 66 LEU HBx 1.0 2.35 5.10 1051 800 A 66 LEU HBy A 69 VAL HGx% 1.0 2.37 5.22 1052 800 A 66 LEU HBx A 69 VAL HGx% 1.0 2.37 5.22 1053 800 A 69 VAL HGy% A 66 LEU HBy 1.0 2.37 5.22 1054 800 A 66 LEU HBx A 69 VAL HGy% 1.0 2.37 5.22 1055 801 A 66 LEU HD2% A 69 VAL HGx% 1.0 2.24 4.47 1056 801 A 66 LEU HD2% A 69 VAL HGy% 1.0 2.24 4.47 1057 802 A 67 ARG H A 67 ARG HBy 1.0 2.17 4.04 1058 802 A 67 ARG H A 67 ARG HBx 1.0 2.17 4.04 1059 803 A 67 ARG H A 67 ARG HGy 1.0 2.35 5.14 1060 803 A 67 ARG H A 67 ARG HGx 1.0 2.35 5.14 1061 804 A 67 ARG H A 67 ARG HDy 1.0 2.65 6.88 1062 804 A 67 ARG H A 67 ARG HDx 1.0 2.65 6.88 1063 805 A 67 ARG HA A 67 ARG HGy 1.0 2.25 4.48 1064 805 A 67 ARG HA A 67 ARG HGx 1.0 2.25 4.48 1065 806 A 67 ARG HA A 69 VAL HGx% 1.0 2.43 5.61 1066 806 A 67 ARG HA A 69 VAL HGy% 1.0 2.43 5.61 1067 807 A 67 ARG HA A 70 GLN HBy 1.0 2.29 4.70 1068 807 A 67 ARG HA A 70 GLN HBx 1.0 2.29 4.70 1069 808 A 67 ARG HBx A 67 ARG HDy 1.0 2.18 4.10 1070 808 A 67 ARG HBy A 67 ARG HDy 1.0 2.18 4.10 1071 808 A 67 ARG HDx A 67 ARG HBy 1.0 2.18 4.10 1072 808 A 67 ARG HBx A 67 ARG HDx 1.0 2.18 4.10 1073 809 A 69 VAL H A 67 ARG HBy 1.0 2.81 7.82 1074 809 A 69 VAL H A 67 ARG HBx 1.0 2.81 7.82 1075 810 A 69 VAL H A 69 VAL HGx% 1.0 2.25 4.46 1076 810 A 69 VAL H A 69 VAL HGy% 1.0 2.25 4.46 1077 811 A 70 GLN H A 69 VAL HGx% 1.0 2.41 5.44 1078 811 A 69 VAL HGy% A 70 GLN H 1.0 2.41 5.44 1079 812 A 70 GLN H A 70 GLN HBy 1.0 2.23 4.38 1080 812 A 70 GLN HBx A 70 GLN H 1.0 2.23 4.38 1081 813 A 71 SER H A 70 GLN HBy 1.0 2.45 5.70 1082 813 A 71 SER H A 70 GLN HBx 1.0 2.45 5.70 1083 814 A 71 SER H A 71 SER HBx 1.0 2.27 4.65 1084 814 A 71 SER H A 71 SER HBy 1.0 2.27 4.65 1085 815 A 74 LEU H A 73 SER HBx 1.0 2.38 5.31 1086 815 A 74 LEU H A 73 SER HBy 1.0 2.38 5.31 1087 816 A 74 LEU H A 74 LEU HBy 1.0 2.15 3.88 1088 816 A 74 LEU H A 74 LEU HBx 1.0 2.15 3.88 1089 817 A 74 LEU HA A 74 LEU HD1% 1.0 2.11 3.66 1090 817 A 74 LEU HA A 74 LEU HD2% 1.0 2.11 3.66 1091 818 A 74 LEU HBx A 74 LEU HD1% 1.0 2.00 2.96 1092 818 A 74 LEU HBy A 74 LEU HD1% 1.0 2.00 2.96 1093 818 A 74 LEU HD2% A 74 LEU HBy 1.0 2.00 2.96 1094 818 A 74 LEU HBx A 74 LEU HD2% 1.0 2.00 2.96 1095 819 A 75 SER H A 74 LEU HD1% 1.0 2.50 6.00 1096 819 A 75 SER H A 74 LEU HD2% 1.0 2.50 6.00 1097 820 A 75 SER H A 75 SER HBx 1.0 2.25 4.54 1098 820 A 75 SER H A 75 SER HBy 1.0 2.25 4.54 1099 821 A 77 THR H A 76 SER HBx 1.0 2.42 5.54 1100 821 A 77 THR H A 76 SER HBy 1.0 2.42 5.54 1101 822 A 77 THR H A 78 PRO HDy 1.0 2.63 6.80 1102 822 A 77 THR H A 78 PRO HDx 1.0 2.63 6.80 1103 823 A 77 THR HA A 78 PRO HDy 1.0 2.14 3.82 1104 823 A 77 THR HA A 78 PRO HDx 1.0 2.14 3.82 1105 824 A 77 THR HG2% A 78 PRO HDy 1.0 2.29 4.78 1106 824 A 77 THR HG2% A 78 PRO HDx 1.0 2.29 4.78 1107 825 A 79 GLN H A 78 PRO HBx 1.0 2.34 5.08 1108 825 A 79 GLN H A 78 PRO HBy 1.0 2.34 5.08 1109 826 A 79 GLN H A 79 GLN HGx 1.0 2.51 6.10 1110 826 A 79 GLN H A 79 GLN HGy 1.0 2.51 6.10 1111 827 A 80 ALA H A 79 GLN HBy 1.0 2.36 5.16 1112 827 A 80 ALA H A 79 GLN HBx 1.0 2.36 5.16 1113 828 A 80 ALA HA A 81 PRO HDy 1.0 2.14 3.86 1114 828 A 80 ALA HA A 81 PRO HDx 1.0 2.14 3.86 1115 829 A 80 ALA HB% A 81 PRO HDy 1.0 2.22 4.36 1116 829 A 80 ALA HB% A 81 PRO HDx 1.0 2.22 4.36 1117 830 A 81 PRO HA A 82 VAL HGy% 1.0 2.83 7.98 1118 830 A 81 PRO HA A 82 VAL HGx% 1.0 2.83 7.98 1119 831 A 82 VAL H A 82 VAL HGy% 1.0 2.34 5.08 1120 831 A 82 VAL H A 82 VAL HGx% 1.0 2.34 5.08 1121 832 A 84 LYS H A 84 LYS HBx 1.0 2.27 4.65 1122 832 A 84 LYS H A 84 LYS HBy 1.0 2.27 4.65 1123 833 A 85 ARG H A 84 LYS HBx 1.0 2.42 5.52 1124 833 A 85 ARG H A 84 LYS HBy 1.0 2.42 5.52 1125 834 A 85 ARG H A 85 ARG HBx 1.0 2.23 4.42 1126 834 A 85 ARG H A 85 ARG HBy 1.0 2.23 4.42 1127 835 A 85 ARG H A 85 ARG HGy 1.0 2.47 5.82 1128 835 A 85 ARG H A 85 ARG HGx 1.0 2.47 5.82 1129 836 A 86 ARG H A 85 ARG HBx 1.0 2.46 5.76 1130 836 A 86 ARG H A 85 ARG HBy 1.0 2.46 5.76 1131 837 A 86 ARG H A 86 ARG HBx 1.0 2.27 4.62 1132 837 A 86 ARG H A 86 ARG HBy 1.0 2.27 4.62 1133 838 A 11 CYS SG A 38 CYS SG 1.0 1.90 2.40 1134 839 A 11 CYS SG A 38 CYS CB 1.0 2.15 3.90 1135 840 A 38 CYS SG A 11 CYS CB 1.0 2.15 3.90 1136 841 A 13 CYS SG A 54 CYS SG 1.0 1.90 2.40 1137 842 A 13 CYS SG A 54 CYS CB 1.0 2.15 3.90 1138 843 A 54 CYS SG A 13 CYS CB 1.0 2.15 3.90 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 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 25 ILE H A 22 GLY O 1.0 1.85 2.1 2 2 A 22 GLY O A 25 ILE N 1.0 2.10 3.6 3 3 A 28 ARG H A 46 TRP O 1.0 1.85 2.1 4 4 A 46 TRP O A 28 ARG N 1.0 2.10 3.6 5 5 A 30 GLN H A 44 VAL O 1.0 1.85 2.1 6 6 A 44 VAL O A 30 GLN N 1.0 2.10 3.6 7 7 A 32 THR H A 42 GLU O 1.0 1.85 2.1 8 8 A 42 GLU O A 32 THR N 1.0 2.10 3.6 9 9 A 42 GLU H A 32 THR O 1.0 1.85 2.1 10 10 A 32 THR O A 42 GLU N 1.0 2.10 3.6 11 11 A 44 VAL H A 30 GLN O 1.0 1.85 2.1 12 12 A 30 GLN O A 44 VAL N 1.0 2.10 3.6 13 13 A 45 ILE H A 53 ILE O 1.0 1.85 2.1 14 14 A 53 ILE O A 45 ILE N 1.0 2.10 3.6 15 15 A 46 TRP H A 28 ARG O 1.0 1.85 2.1 16 16 A 28 ARG O A 46 TRP N 1.0 2.10 3.6 17 17 A 47 THR H A 51 LYS O 1.0 1.85 2.1 18 18 A 51 LYS O A 47 THR N 1.0 2.10 3.6 19 19 A 53 ILE H A 45 ILE O 1.0 1.85 2.1 20 20 A 45 ILE O A 53 ILE N 1.0 2.10 3.6 21 21 A 55 VAL H A 43 VAL O 1.0 1.85 2.1 22 22 A 43 VAL O A 55 VAL N 1.0 2.10 3.6 23 23 A 66 LEU H A 62 LEU O 1.0 1.85 2.1 24 24 A 62 LEU O A 66 LEU N 1.0 2.10 3.6 25 25 A 67 ARG H A 63 GLN O 1.0 1.85 2.1 26 26 A 63 GLN O A 67 ARG N 1.0 2.10 3.6 27 27 A 68 HIS H A 64 ARG O 1.0 1.85 2.1 28 28 A 64 ARG O A 68 HIS N 1.0 2.10 3.6 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 51 LYS H A 47 THR OG1 1.0 1.85 2.1 2 2 A 47 THR OG1 A 51 LYS N 1.0 2.10 3.6 stop_ save_ save_CNS/XPLOR_dihedral_5 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_5 _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 62 LEU CA A 62 LEU CB A 62 LEU CG A 62 LEU CD1 1.0 40.0 80.0 CHI2 2 2 A 66 LEU CA A 66 LEU CB A 66 LEU CG A 66 LEU CD1 1.0 160.0 200.0 CHI2 3 3 A 10 LYS C A 11 CYS N A 11 CYS CA A 11 CYS C 1.0 -90.1 -48.2 PHI 4 4 A 11 CYS N A 11 CYS CA A 11 CYS C A 12 ARG N 1.0 116.6 156.6 PSI 5 5 A 11 CYS C A 12 ARG N A 12 ARG CA A 12 ARG C 1.0 -89.7 -49.7 PHI 6 6 A 12 ARG N A 12 ARG CA A 12 ARG C A 13 CYS N 1.0 121.9 161.9 PSI 7 7 A 12 ARG C A 13 CYS N A 13 CYS CA A 13 CYS C 1.0 -144.7 -53.7 PHI 8 8 A 13 CYS N A 13 CYS CA A 13 CYS C A 14 SER N 1.0 105.4 165.5 PSI 9 9 A 15 GLY C A 16 VAL N A 16 VAL CA A 16 VAL C 1.0 -146.0 -106.0 PHI 10 10 A 16 VAL N A 16 VAL CA A 16 VAL C A 17 ILE N 1.0 130.2 170.2 PSI 11 11 A 16 VAL C A 17 ILE N A 17 ILE CA A 17 ILE C 1.0 -137.5 -83.5 PHI 12 12 A 17 ILE N A 17 ILE CA A 17 ILE C A 18 SER N 1.0 108.1 150.7 PSI 13 13 A 19 THR C A 20 VAL N A 20 VAL CA A 20 VAL C 1.0 -90.8 -50.8 PHI 14 14 A 20 VAL N A 20 VAL CA A 20 VAL C A 21 VAL N 1.0 113.3 153.3 PSI 15 15 A 22 GLY C A 23 LEU N A 23 LEU CA A 23 LEU C 1.0 -80.9 -40.9 PHI 16 16 A 23 LEU N A 23 LEU CA A 23 LEU C A 24 ASN N 1.0 -53.2 -13.2 PSI 17 17 A 23 LEU C A 24 ASN N A 24 ASN CA A 24 ASN C 1.0 -91.5 -51.5 PHI 18 18 A 24 ASN N A 24 ASN CA A 24 ASN C A 25 ILE N 1.0 -33.3 6.7 PSI 19 19 A 24 ASN C A 25 ILE N A 25 ILE CA A 25 ILE C 1.0 -124.2 -76.6 PHI 20 20 A 25 ILE N A 25 ILE CA A 25 ILE C A 26 ILE N 1.0 -25.3 14.7 PSI 21 21 A 25 ILE C A 26 ILE N A 26 ILE CA A 26 ILE C 1.0 -90.7 -50.7 PHI 22 22 A 26 ILE N A 26 ILE CA A 26 ILE C A 27 ASP N 1.0 105.7 145.7 PSI 23 23 A 26 ILE C A 27 ASP N A 27 ASP CA A 27 ASP C 1.0 -127.6 -86.7 PHI 24 24 A 27 ASP N A 27 ASP CA A 27 ASP C A 28 ARG N 1.0 -55.2 -8.0 PSI 25 25 A 27 ASP C A 28 ARG N A 28 ARG CA A 28 ARG C 1.0 -168.9 -128.9 PHI 26 26 A 28 ARG N A 28 ARG CA A 28 ARG C A 29 ILE N 1.0 128.1 168.1 PSI 27 27 A 28 ARG C A 29 ILE N A 29 ILE CA A 29 ILE C 1.0 -149.7 -109.7 PHI 28 28 A 29 ILE N A 29 ILE CA A 29 ILE C A 30 GLN N 1.0 110.3 150.3 PSI 29 29 A 29 ILE C A 30 GLN N A 30 GLN CA A 30 GLN C 1.0 -136.8 -96.8 PHI 30 30 A 30 GLN N A 30 GLN CA A 30 GLN C A 31 VAL N 1.0 106.2 146.2 PSI 31 31 A 30 GLN C A 31 VAL N A 31 VAL CA A 31 VAL C 1.0 -127.3 -87.3 PHI 32 32 A 31 VAL N A 31 VAL CA A 31 VAL C A 32 THR N 1.0 103.6 143.6 PSI 33 33 A 31 VAL C A 32 THR N A 32 THR CA A 32 THR C 1.0 -129.2 -89.2 PHI 34 34 A 32 THR N A 32 THR CA A 32 THR C A 33 PRO N 1.0 92.3 159.6 PSI 35 35 A 36 ASN C A 37 GLY N A 37 GLY CA A 37 GLY C 1.0 64.2 104.2 PHI 36 36 A 37 GLY N A 37 GLY CA A 37 GLY C A 38 CYS N 1.0 -17.0 25.9 PSI 37 37 A 37 GLY C A 38 CYS N A 38 CYS CA A 38 CYS C 1.0 -137.6 -82.5 PHI 38 38 A 38 CYS N A 38 CYS CA A 38 CYS C A 39 PRO N 1.0 116.7 162.8 PSI 39 39 A 39 PRO C A 40 LYS N A 40 LYS CA A 40 LYS C 1.0 -152.4 -100.9 PHI 40 40 A 40 LYS N A 40 LYS CA A 40 LYS C A 41 THR N 1.0 124.9 174.6 PSI 41 41 A 40 LYS C A 41 THR N A 41 THR CA A 41 THR C 1.0 -86.4 -46.4 PHI 42 42 A 41 THR N A 41 THR CA A 41 THR C A 42 GLU N 1.0 116.5 156.6 PSI 43 43 A 41 THR C A 42 GLU N A 42 GLU CA A 42 GLU C 1.0 -147.8 -74.5 PHI 44 44 A 42 GLU N A 42 GLU CA A 42 GLU C A 43 VAL N 1.0 114.8 162.7 PSI 45 45 A 42 GLU C A 43 VAL N A 43 VAL CA A 43 VAL C 1.0 -128.0 -82.9 PHI 46 46 A 43 VAL N A 43 VAL CA A 43 VAL C A 44 VAL N 1.0 104.7 144.7 PSI 47 47 A 43 VAL C A 44 VAL N A 44 VAL CA A 44 VAL C 1.0 -132.6 -92.6 PHI 48 48 A 44 VAL N A 44 VAL CA A 44 VAL C A 45 ILE N 1.0 112.4 152.4 PSI 49 49 A 44 VAL C A 45 ILE N A 45 ILE CA A 45 ILE C 1.0 -136.0 -96.0 PHI 50 50 A 45 ILE N A 45 ILE CA A 45 ILE C A 46 TRP N 1.0 105.9 145.9 PSI 51 51 A 45 ILE C A 46 TRP N A 46 TRP CA A 46 TRP C 1.0 -124.5 -71.9 PHI 52 52 A 46 TRP N A 46 TRP CA A 46 TRP C A 47 THR N 1.0 106.8 159.7 PSI 53 53 A 46 TRP C A 47 THR N A 47 THR CA A 47 THR C 1.0 -131.2 -61.5 PHI 54 54 A 47 THR N A 47 THR CA A 47 THR C A 48 LYS N 1.0 150.4 190.4 PSI 55 55 A 47 THR C A 48 LYS N A 48 LYS CA A 48 LYS C 1.0 -84.4 -44.4 PHI 56 56 A 48 LYS N A 48 LYS CA A 48 LYS C A 49 MET N 1.0 -41.6 -1.0 PSI 57 57 A 48 LYS C A 49 MET N A 49 MET CA A 49 MET C 1.0 -114.8 -74.8 PHI 58 58 A 49 MET N A 49 MET CA A 49 MET C A 50 LYS N 1.0 -9.1 30.9 PSI 59 59 A 49 MET C A 50 LYS N A 50 LYS CA A 50 LYS C 1.0 47.8 87.8 PHI 60 60 A 50 LYS N A 50 LYS CA A 50 LYS C A 51 LYS N 1.0 5.1 45.1 PSI 61 61 A 50 LYS C A 51 LYS N A 51 LYS CA A 51 LYS C 1.0 -113.3 -73.3 PHI 62 62 A 51 LYS N A 51 LYS CA A 51 LYS C A 52 VAL N 1.0 124.8 164.8 PSI 63 63 A 51 LYS C A 52 VAL N A 52 VAL CA A 52 VAL C 1.0 -120.3 -67.1 PHI 64 64 A 52 VAL N A 52 VAL CA A 52 VAL C A 53 ILE N 1.0 107.2 149.2 PSI 65 65 A 52 VAL C A 53 ILE N A 53 ILE CA A 53 ILE C 1.0 -144.4 -95.2 PHI 66 66 A 53 ILE N A 53 ILE CA A 53 ILE C A 54 CYS N 1.0 115.4 155.4 PSI 67 67 A 53 ILE C A 54 CYS N A 54 CYS CA A 54 CYS C 1.0 -153.1 -110.6 PHI 68 68 A 54 CYS N A 54 CYS CA A 54 CYS C A 55 VAL N 1.0 118.8 175.8 PSI 69 69 A 54 CYS C A 55 VAL N A 55 VAL CA A 55 VAL C 1.0 -149.7 -109.7 PHI 70 70 A 55 VAL N A 55 VAL CA A 55 VAL C A 56 ASN N 1.0 120.5 165.1 PSI 71 71 A 55 VAL C A 56 ASN N A 56 ASN CA A 56 ASN C 1.0 -92.4 -52.4 PHI 72 72 A 56 ASN N A 56 ASN CA A 56 ASN C A 57 PRO N 1.0 104.7 163.2 PSI 73 73 A 57 PRO C A 58 ARG N A 58 ARG CA A 58 ARG C 1.0 -112.7 -71.1 PHI 74 74 A 58 ARG N A 58 ARG CA A 58 ARG C A 59 ALA N 1.0 -27.0 28.9 PSI 75 75 A 58 ARG C A 59 ALA N A 59 ALA CA A 59 ALA C 1.0 -84.6 -44.6 PHI 76 76 A 59 ALA N A 59 ALA CA A 59 ALA C A 60 LYS N 1.0 112.1 152.1 PSI 77 77 A 59 ALA C A 60 LYS N A 60 LYS CA A 60 LYS C 1.0 -79.3 -39.3 PHI 78 78 A 60 LYS N A 60 LYS CA A 60 LYS C A 61 TRP N 1.0 -62.1 -22.1 PSI 79 79 A 60 LYS C A 61 TRP N A 61 TRP CA A 61 TRP C 1.0 -85.9 -45.9 PHI 80 80 A 61 TRP N A 61 TRP CA A 61 TRP C A 62 LEU N 1.0 -52.2 -4.2 PSI 81 81 A 61 TRP C A 62 LEU N A 62 LEU CA A 62 LEU C 1.0 -94.4 -54.4 PHI 82 82 A 62 LEU N A 62 LEU CA A 62 LEU C A 63 GLN N 1.0 -61.4 -21.4 PSI 83 83 A 62 LEU C A 63 GLN N A 63 GLN CA A 63 GLN C 1.0 -83.0 -43.0 PHI 84 84 A 63 GLN N A 63 GLN CA A 63 GLN C A 64 ARG N 1.0 -58.7 -18.7 PSI 85 85 A 63 GLN C A 64 ARG N A 64 ARG CA A 64 ARG C 1.0 -84.3 -44.3 PHI 86 86 A 64 ARG N A 64 ARG CA A 64 ARG C A 65 LEU N 1.0 -61.5 -21.5 PSI 87 87 A 64 ARG C A 65 LEU N A 65 LEU CA A 65 LEU C 1.0 -86.4 -46.4 PHI 88 88 A 65 LEU N A 65 LEU CA A 65 LEU C A 66 LEU N 1.0 -63.5 -23.5 PSI 89 89 A 65 LEU C A 66 LEU N A 66 LEU CA A 66 LEU C 1.0 -86.4 -46.4 PHI 90 90 A 66 LEU N A 66 LEU CA A 66 LEU C A 67 ARG N 1.0 -54.8 -14.8 PSI 91 91 A 66 LEU C A 67 ARG N A 67 ARG CA A 67 ARG C 1.0 -87.5 -47.5 PHI 92 92 A 67 ARG N A 67 ARG CA A 67 ARG C A 68 HIS N 1.0 -56.0 -16.0 PSI 93 93 A 67 ARG C A 68 HIS N A 68 HIS CA A 68 HIS C 1.0 -88.9 -48.9 PHI 94 94 A 68 HIS N A 68 HIS CA A 68 HIS C A 69 VAL N 1.0 -56.9 -16.9 PSI 95 95 A 68 HIS C A 69 VAL N A 69 VAL CA A 69 VAL C 1.0 -91.1 -51.1 PHI 96 96 A 69 VAL N A 69 VAL CA A 69 VAL C A 70 GLN N 1.0 -48.4 -3.8 PSI stop_ save_