data_nef_c30372_6bl9 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 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 6BL9 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 19 CYS SG 1 46 CYS SG 1 23 CYS SG 1 48 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 GLU start . . 2 A 2 GLU middle . . 3 A 3 THR middle . . 4 A 4 GLU middle . . 5 A 5 GLU middle . . 6 A 6 PRO middle . false 7 A 7 ILE middle . . 8 A 8 ARG middle . . 9 A 9 HIS middle . . 10 A 10 ALA middle . . 11 A 11 LYS middle . . 12 A 12 LYS middle . . 13 A 13 ASN middle . . 14 A 14 PRO middle . false 15 A 15 SER middle . . 16 A 16 GLU middle . . 17 A 17 GLY middle . false 18 A 18 GLU middle . . 19 A 19 CYS middle -HG . 20 A 20 LYS middle . . 21 A 21 LYS middle . . 22 A 22 ALA middle . . 23 A 23 CYS middle -HG . 24 A 24 ALA middle . . 25 A 25 ASP middle . . 26 A 26 ALA middle . . 27 A 27 PHE middle . . 28 A 28 ALA middle . . 29 A 29 ASN middle . . 30 A 30 GLY middle . false 31 A 31 ASP middle . . 32 A 32 GLN middle . . 33 A 33 SER middle . . 34 A 34 LYS middle . . 35 A 35 ILE middle . . 36 A 36 ALA middle . . 37 A 37 LYS middle . . 38 A 38 ALA middle . . 39 A 39 GLU middle . . 40 A 40 ASN middle . . 41 A 41 PHE middle . . 42 A 42 LYS middle . . 43 A 43 ASP middle . . 44 A 44 TYR middle . . 45 A 45 TYR middle . . 46 A 46 CYS middle -HG . 47 A 47 ASN middle . . 48 A 48 CYS middle -HG . 49 A 49 HIS middle . . 50 A 50 ILE middle . . 51 A 51 ILE middle . . 52 A 52 ILE middle . . 53 A 53 HIS 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 1 GLU HA H 1 4.065 0.003 A 1 GLU HBx H 1 2.047 0.001 A 1 GLU HBy H 1 2.050 0.003 A 1 GLU HGy H 1 2.408 0.007 A 1 GLU HGx H 1 2.282 0.006 A 1 GLU CA C 13 55.694 0.000 A 1 GLU CB C 13 30.462 0.000 A 1 GLU CG C 13 35.813 0.004 A 2 GLU H H 1 8.868 0.001 A 2 GLU HA H 1 5.520 0.002 A 2 GLU HBy H 1 1.944 0.003 A 2 GLU HBx H 1 1.787 0.003 A 2 GLU HGy H 1 2.102 0.007 A 2 GLU HGx H 1 2.029 0.003 A 2 GLU CB C 13 33.473 0.000 A 2 GLU CG C 13 35.763 0.000 A 2 GLU N N 15 122.721 0.000 A 3 THR H H 1 8.800 0.001 A 3 THR HA H 1 4.596 0.003 A 3 THR HB H 1 3.941 0.004 A 3 THR HG2% H 1 1.026 0.001 A 3 THR CA C 13 60.089 0.000 A 3 THR CB C 13 70.670 0.014 A 3 THR CG2 C 13 20.842 0.000 A 3 THR N N 15 116.169 0.000 A 4 GLU H H 1 8.039 0.002 A 4 GLU HA H 1 5.325 0.002 A 4 GLU HBy H 1 1.726 0.001 A 4 GLU HBx H 1 1.506 0.002 A 4 GLU HGx H 1 1.226 0.000 A 4 GLU HGy H 1 1.226 0.000 A 4 GLU CA C 13 54.299 0.000 A 4 GLU N N 15 122.878 0.000 A 5 GLU H H 1 8.286 0.003 A 5 GLU HA H 1 4.830 0.006 A 5 GLU HBy H 1 1.586 0.000 A 5 GLU HBx H 1 1.032 0.004 A 5 GLU HGy H 1 1.828 0.006 A 5 GLU HGx H 1 1.720 0.000 A 5 GLU N N 15 122.628 0.000 A 6 PRO HA H 1 5.908 0.003 A 6 PRO HBy H 1 2.336 0.002 A 6 PRO HBx H 1 2.147 0.007 A 6 PRO HDy H 1 3.919 0.003 A 6 PRO HDx H 1 3.732 0.004 A 6 PRO HGx H 1 2.26 0.000 A 6 PRO HGy H 1 2.26 0.000 A 6 PRO CA C 13 61.566 0.000 A 6 PRO CB C 13 33.558 0.046 A 6 PRO CD C 13 50.402 0.014 A 6 PRO CG C 13 29.600 0.000 A 7 ILE H H 1 9.384 0.002 A 7 ILE HA H 1 4.883 0.003 A 7 ILE HB H 1 1.998 0.001 A 7 ILE HD1% H 1 0.823 0.001 A 7 ILE HG12 H 1 1.549 0.003 A 7 ILE HG13 H 1 1.212 0.002 A 7 ILE HG2% H 1 0.956 0.004 A 7 ILE CA C 13 58.851 0.000 A 7 ILE CB C 13 42.804 0.023 A 7 ILE CD1 C 13 19.395 0.000 A 7 ILE CG1 C 13 27.594 0.007 A 7 ILE CG2 C 13 14.384 0.000 A 8 ARG H H 1 8.227 0.001 A 8 ARG HA H 1 4.081 0.003 A 8 ARG HBy H 1 1.541 0.001 A 8 ARG HBx H 1 1.390 0.001 A 8 ARG HDx H 1 2.916 0.000 A 8 ARG HDy H 1 2.916 0.000 A 8 ARG HE H 1 7.036 0.001 A 8 ARG HGx H 1 1.300 0.000 A 8 ARG HGy H 1 1.300 0.000 A 8 ARG CA C 13 55.469 0.000 A 8 ARG CB C 13 30.794 0.006 A 8 ARG CD C 13 42.880 0.000 A 8 ARG N N 15 126.762 0.000 A 9 HIS H H 1 9.162 0.003 A 9 HIS HA H 1 4.304 0.002 A 9 HIS HBy H 1 2.988 0.007 A 9 HIS HBx H 1 2.503 0.002 A 9 HIS HD2 H 1 6.657 0.003 A 9 HIS HE1 H 1 7.586 0.002 A 9 HIS CB C 13 35.186 0.032 A 9 HIS CD2 C 13 116.659 0.000 A 9 HIS CE1 C 13 136.934 0.000 A 9 HIS N N 15 129.165 0.000 A 10 ALA H H 1 7.561 0.002 A 10 ALA HA H 1 4.024 0.002 A 10 ALA HB% H 1 1.273 0.001 A 10 ALA CA C 13 53.974 0.000 A 10 ALA CB C 13 19.350 0.001 A 10 ALA N N 15 126.502 0.000 A 11 LYS H H 1 11.246 0.003 A 11 LYS HA H 1 4.339 0.004 A 11 LYS HBy H 1 1.668 0.000 A 11 LYS HBx H 1 1.585 0.000 A 11 LYS HDx H 1 2.917 0.000 A 11 LYS HDy H 1 2.917 0.000 A 11 LYS HGx H 1 1.375 0.000 A 11 LYS HGy H 1 1.375 0.000 A 11 LYS N N 15 121.421 0.000 A 12 LYS H H 1 7.938 0.001 A 12 LYS HA H 1 2.135 0.003 A 12 LYS HBx H 1 1.268 0.000 A 12 LYS HBy H 1 1.268 0.000 A 12 LYS HDy H 1 1.567 0.000 A 12 LYS HDx H 1 1.501 0.000 A 12 LYS HEx H 1 2.888 0.000 A 12 LYS HEy H 1 2.888 0.000 A 12 LYS HGy H 1 0.947 0.002 A 12 LYS HGx H 1 0.515 0.002 A 12 LYS CA C 13 58.963 0.000 A 12 LYS CG C 13 24.618 0.005 A 12 LYS N N 15 120.147 0.000 A 13 ASN H H 1 8.120 0.001 A 13 ASN HA H 1 5.292 0.002 A 13 ASN HBy H 1 2.563 0.003 A 13 ASN HBx H 1 2.314 0.004 A 13 ASN HD2y H 1 7.654 0.004 A 13 ASN HD2x H 1 6.849 0.004 A 13 ASN CA C 13 50.431 0.000 A 13 ASN CB C 13 39.856 0.032 A 13 ASN N N 15 112.389 0.000 A 13 ASN ND2 N 15 111.941 0.030 A 14 PRO HA H 1 4.112 0.002 A 14 PRO HBy H 1 1.542 0.002 A 14 PRO HBx H 1 0.567 0.000 A 14 PRO HDy H 1 3.232 0.003 A 14 PRO HDx H 1 3.012 0.002 A 14 PRO HGy H 1 1.368 0.008 A 14 PRO HGx H 1 1.151 0.001 A 14 PRO CA C 13 61.628 0.000 A 14 PRO CD C 13 49.991 0.000 A 15 SER H H 1 9.116 0.006 A 15 SER HA H 1 4.349 0.001 A 15 SER HBy H 1 4.345 0.000 A 15 SER HBx H 1 3.981 0.004 A 15 SER CB C 13 65.661 0.004 A 16 GLU H H 1 9.102 0.002 A 16 GLU HA H 1 3.865 0.002 A 16 GLU HBx H 1 2.136 0.002 A 16 GLU HBy H 1 2.138 0.002 A 16 GLU HGy H 1 2.603 0.001 A 16 GLU HGx H 1 2.363 0.002 A 16 GLU CA C 13 60.714 0.000 A 16 GLU CB C 13 29.081 0.044 A 16 GLU CG C 13 36.413 0.010 A 17 GLY H H 1 8.734 0.001 A 17 GLY HAy H 1 3.888 0.003 A 17 GLY HAx H 1 3.770 0.002 A 17 GLY CA C 13 46.784 0.014 A 17 GLY N N 15 107.087 0.000 A 18 GLU H H 1 7.994 0.002 A 18 GLU HA H 1 4.034 0.002 A 18 GLU HBx H 1 1.670 0.000 A 18 GLU HBy H 1 1.670 0.000 A 18 GLU CA C 13 59.218 0.000 A 18 GLU N N 15 123.875 0.000 A 19 CYS H H 1 9.053 0.002 A 19 CYS HA H 1 4.744 0.001 A 19 CYS HBx H 1 2.749 0.003 A 19 CYS HBy H 1 2.916 0.006 A 19 CYS CB C 13 35.226 0.009 A 19 CYS N N 15 118.981 0.000 A 20 LYS H H 1 9.191 0.002 A 20 LYS HA H 1 3.528 0.002 A 20 LYS HBy H 1 1.988 0.002 A 20 LYS HBx H 1 1.872 0.002 A 20 LYS HDy H 1 1.774 0.000 A 20 LYS HDx H 1 1.713 0.000 A 20 LYS HEy H 1 3.025 0.002 A 20 LYS HEx H 1 2.907 0.004 A 20 LYS HGy H 1 1.431 0.001 A 20 LYS HGx H 1 1.382 0.001 A 20 LYS CA C 13 61.640 0.000 A 20 LYS CB C 13 31.735 0.000 A 20 LYS CG C 13 26.107 0.000 A 20 LYS N N 15 124.547 0.000 A 21 LYS H H 1 7.507 0.003 A 21 LYS HA H 1 3.882 0.002 A 21 LYS HBx H 1 1.888 0.000 A 21 LYS HBy H 1 1.888 0.000 A 21 LYS HDy H 1 1.734 0.000 A 21 LYS HDx H 1 1.618 0.000 A 21 LYS HEy H 1 3.045 0.000 A 21 LYS HEx H 1 2.990 0.000 A 21 LYS HGx H 1 1.418 0.000 A 21 LYS HGy H 1 1.418 0.000 A 21 LYS CA C 13 59.522 0.000 A 21 LYS CB C 13 32.597 0.000 A 21 LYS CD C 13 28.440 0.004 A 21 LYS CG C 13 24.928 0.000 A 21 LYS N N 15 118.642 0.000 A 22 ALA H H 1 8.045 0.004 A 22 ALA HA H 1 4.200 0.002 A 22 ALA HB% H 1 1.685 0.001 A 22 ALA CA C 13 55.085 0.025 A 22 ALA CB C 13 18.509 0.017 A 22 ALA N N 15 120.988 0.000 A 23 CYS H H 1 9.140 0.002 A 23 CYS HA H 1 4.391 0.002 A 23 CYS HBy H 1 3.330 0.002 A 23 CYS HBx H 1 2.773 0.003 A 23 CYS CA C 13 58.041 0.000 A 23 CYS CB C 13 39.320 0.000 A 23 CYS N N 15 116.383 0.000 A 24 ALA H H 1 8.517 0.002 A 24 ALA HA H 1 3.833 0.003 A 24 ALA HB% H 1 1.271 0.003 A 24 ALA CA C 13 54.872 0.024 A 24 ALA CB C 13 18.533 0.001 A 25 ASP H H 1 8.834 0.002 A 25 ASP HA H 1 4.156 0.002 A 25 ASP HBy H 1 2.633 0.009 A 25 ASP HBx H 1 2.617 0.020 A 25 ASP CA C 13 57.210 0.000 A 25 ASP N N 15 122.069 0.000 A 26 ALA H H 1 7.435 0.002 A 26 ALA HA H 1 4.016 0.001 A 26 ALA HB% H 1 0.725 0.002 A 26 ALA CA C 13 54.270 0.016 A 26 ALA CB C 13 18.783 0.000 A 26 ALA N N 15 119.864 0.000 A 27 PHE H H 1 7.819 0.003 A 27 PHE HA H 1 5.061 0.002 A 27 PHE HBy H 1 3.408 0.004 A 27 PHE HBx H 1 2.518 0.001 A 27 PHE HD1 H 1 7.315 0.001 A 27 PHE HD2 H 1 7.315 0.001 A 27 PHE HE1 H 1 7.271 0.003 A 27 PHE HE2 H 1 7.271 0.003 A 27 PHE CA C 13 57.885 0.000 A 27 PHE CB C 13 41.859 0.010 A 27 PHE N N 15 111.289 0.000 A 28 ALA H H 1 8.197 0.002 A 28 ALA HA H 1 4.950 0.005 A 28 ALA HB% H 1 1.407 0.001 A 28 ALA CA C 13 51.022 0.020 A 28 ALA CB C 13 20.808 0.027 A 28 ALA N N 15 122.503 0.000 A 29 ASN H H 1 9.400 0.002 A 29 ASN HA H 1 4.479 0.002 A 29 ASN HBy H 1 3.115 0.002 A 29 ASN HBx H 1 2.682 0.006 A 29 ASN HD2y H 1 7.575 0.003 A 29 ASN HD2x H 1 6.866 0.000 A 29 ASN CA C 13 54.509 0.000 A 29 ASN CB C 13 37.549 0.000 A 30 GLY H H 1 8.277 0.002 A 30 GLY HAy H 1 4.296 0.003 A 30 GLY HAx H 1 3.653 0.001 A 30 GLY CA C 13 44.886 0.020 A 30 GLY N N 15 103.584 0.000 A 31 ASP H H 1 7.678 0.002 A 31 ASP HA H 1 4.675 0.000 A 31 ASP HBy H 1 3.235 0.001 A 31 ASP HBx H 1 2.632 0.002 A 31 ASP CB C 13 39.868 0.000 A 31 ASP N N 15 120.076 0.000 A 32 GLN H H 1 8.811 0.002 A 32 GLN HA H 1 3.741 0.001 A 32 GLN HBy H 1 2.182 0.001 A 32 GLN HBx H 1 1.921 0.005 A 32 GLN HE2y H 1 7.740 0.001 A 32 GLN HE2x H 1 6.961 0.000 A 32 GLN HGy H 1 2.504 0.001 A 32 GLN HGx H 1 1.999 0.003 A 32 GLN CA C 13 58.925 0.000 A 32 GLN CB C 13 28.157 0.006 A 32 GLN CG C 13 35.220 0.015 A 32 GLN N N 15 124.851 0.000 A 33 SER H H 1 8.576 0.001 A 33 SER HA H 1 4.248 0.001 A 33 SER HBy H 1 3.964 0.011 A 33 SER HBx H 1 3.938 0.011 A 33 SER CA C 13 60.998 0.000 A 33 SER CB C 13 62.492 0.006 A 33 SER N N 15 115.827 0.000 A 34 LYS H H 1 7.145 0.003 A 34 LYS HA H 1 4.326 0.000 A 34 LYS HBy H 1 2.212 0.000 A 34 LYS HBx H 1 1.747 0.000 A 34 LYS HDx H 1 1.589 0.000 A 34 LYS HDy H 1 1.589 0.000 A 34 LYS HEx H 1 2.941 0.000 A 34 LYS HEy H 1 2.941 0.000 A 34 LYS HGy H 1 1.494 0.001 A 34 LYS HGx H 1 1.321 0.000 A 34 LYS CB C 13 31.965 0.001 A 34 LYS CG C 13 25.205 0.008 A 34 LYS N N 15 119.276 0.000 A 35 ILE H H 1 7.398 0.002 A 35 ILE HA H 1 4.677 0.003 A 35 ILE HB H 1 2.362 0.002 A 35 ILE HD1% H 1 0.607 0.000 A 35 ILE HG12 H 1 1.657 0.002 A 35 ILE HG13 H 1 1.321 0.000 A 35 ILE HG2% H 1 0.857 0.002 A 35 ILE CB C 13 34.937 0.007 A 35 ILE CD1 C 13 9.930 0.000 A 35 ILE CG1 C 13 26.110 0.004 A 35 ILE N N 15 118.990 0.000 A 36 ALA H H 1 8.494 0.002 A 36 ALA HA H 1 4.107 0.002 A 36 ALA HB% H 1 1.276 0.001 A 36 ALA CA C 13 53.958 0.000 A 36 ALA CB C 13 18.998 0.002 A 36 ALA N N 15 129.811 0.000 A 37 LYS H H 1 7.464 0.002 A 37 LYS HA H 1 4.315 0.001 A 37 LYS HBy H 1 1.582 0.004 A 37 LYS HBx H 1 1.287 0.009 A 37 LYS HEx H 1 2.650 0.000 A 37 LYS HEy H 1 2.650 0.000 A 37 LYS HGy H 1 1.163 0.001 A 37 LYS HGx H 1 1.058 0.003 A 37 LYS CG C 13 24.331 0.001 A 37 LYS N N 15 113.544 0.000 A 38 ALA H H 1 8.759 0.001 A 38 ALA HA H 1 5.406 0.003 A 38 ALA HB% H 1 1.262 0.002 A 38 ALA CA C 13 51.457 0.034 A 38 ALA CB C 13 23.467 0.002 A 38 ALA N N 15 126.695 0.000 A 39 GLU H H 1 8.013 0.002 A 39 GLU HA H 1 4.857 0.006 A 39 GLU HBy H 1 2.295 0.000 A 39 GLU HBx H 1 1.959 0.003 A 39 GLU HGy H 1 2.344 0.000 A 39 GLU HGx H 1 2.270 0.000 A 39 GLU CB C 13 32.257 0.000 A 39 GLU CG C 13 37.798 0.010 A 39 GLU N N 15 113.523 0.000 A 40 ASN H H 1 9.748 0.002 A 40 ASN HA H 1 5.663 0.004 A 40 ASN HBy H 1 2.993 0.005 A 40 ASN HBx H 1 2.814 0.003 A 40 ASN HD2x H 1 6.185 0.002 A 40 ASN HD2y H 1 8.151 0.002 A 40 ASN CA C 13 52.002 0.000 A 40 ASN CB C 13 38.736 0.034 A 40 ASN N N 15 124.944 0.000 A 41 PHE H H 1 7.639 0.002 A 41 PHE HA H 1 4.785 0.000 A 41 PHE HBy H 1 3.432 0.003 A 41 PHE HBx H 1 2.942 0.002 A 41 PHE HD1 H 1 7.191 0.008 A 41 PHE HD2 H 1 7.191 0.008 A 41 PHE HE1 H 1 7.081 0.001 A 41 PHE HE2 H 1 7.081 0.001 A 41 PHE CB C 13 39.857 0.001 A 41 PHE CD1 C 13 131.861 0.031 A 41 PHE CE2 C 13 130.064 0.012 A 41 PHE N N 15 123.644 0.000 A 42 LYS H H 1 7.411 0.002 A 42 LYS HA H 1 4.354 0.001 A 42 LYS HBx H 1 1.475 0.000 A 42 LYS HBy H 1 1.475 0.000 A 42 LYS HDx H 1 1.176 0.000 A 42 LYS HDy H 1 1.176 0.000 A 42 LYS HGy H 1 0.820 0.001 A 42 LYS HGx H 1 0.428 0.004 A 42 LYS CB C 13 34.903 0.000 A 42 LYS CD C 13 29.345 0.003 A 42 LYS CG C 13 23.219 0.007 A 42 LYS N N 15 118.417 0.000 A 43 ASP H H 1 8.518 0.002 A 43 ASP HA H 1 4.457 0.005 A 43 ASP HBy H 1 2.617 0.007 A 43 ASP HBx H 1 2.458 0.001 A 43 ASP CA C 13 56.007 0.000 A 43 ASP CB C 13 40.182 0.000 A 44 TYR H H 1 9.584 0.002 A 44 TYR HA H 1 4.540 0.002 A 44 TYR HBy H 1 3.457 0.003 A 44 TYR HBx H 1 3.291 0.006 A 44 TYR HD1 H 1 6.958 0.000 A 44 TYR HD2 H 1 6.958 0.000 A 44 TYR HE1 H 1 6.805 0.000 A 44 TYR HE2 H 1 6.805 0.000 A 44 TYR CA C 13 59.531 0.000 A 44 TYR CB C 13 34.988 0.000 A 44 TYR CD1 C 13 133.862 0.039 A 44 TYR CE2 C 13 117.525 0.000 A 44 TYR N N 15 113.350 0.000 A 45 TYR H H 1 8.251 0.003 A 45 TYR HA H 1 5.522 0.002 A 45 TYR HBy H 1 2.781 0.002 A 45 TYR HBx H 1 2.329 0.004 A 45 TYR HD1 H 1 7.208 0.009 A 45 TYR HD2 H 1 7.208 0.009 A 45 TYR HE1 H 1 6.807 0.000 A 45 TYR HE2 H 1 6.807 0.000 A 45 TYR CB C 13 44.564 0.011 A 45 TYR CD1 C 13 133.617 0.000 A 45 TYR CE2 C 13 117.482 0.000 A 45 TYR N N 15 114.569 0.000 A 46 CYS H H 1 9.394 0.003 A 46 CYS HA H 1 5.623 0.004 A 46 CYS HBy H 1 2.897 0.001 A 46 CYS HBx H 1 2.653 0.002 A 46 CYS CA C 13 53.417 0.000 A 47 ASN H H 1 9.777 0.002 A 47 ASN HA H 1 5.105 0.002 A 47 ASN HBy H 1 2.767 0.003 A 47 ASN HBx H 1 1.908 0.005 A 47 ASN HD2y H 1 6.963 0.000 A 47 ASN HD2x H 1 6.707 0.000 A 47 ASN CB C 13 39.011 0.002 A 47 ASN N N 15 121.440 0.000 A 48 CYS H H 1 8.390 0.002 A 48 CYS HA H 1 4.851 0.005 A 48 CYS HBy H 1 3.398 0.002 A 48 CYS HBx H 1 2.688 0.001 A 48 CYS CB C 13 38.739 0.006 A 48 CYS N N 15 124.002 0.000 A 49 HIS H H 1 8.598 0.002 A 49 HIS HA H 1 5.113 0.003 A 49 HIS HBy H 1 3.346 0.004 A 49 HIS HBx H 1 3.066 0.003 A 49 HIS HD2 H 1 6.865 0.002 A 49 HIS HE1 H 1 8.260 0.002 A 49 HIS CB C 13 27.760 0.014 A 49 HIS CD2 C 13 119.822 0.000 A 49 HIS CE1 C 13 135.338 0.000 A 49 HIS N N 15 122.409 0.000 A 50 ILE H H 1 9.108 0.002 A 50 ILE HA H 1 4.343 0.002 A 50 ILE HB H 1 1.587 0.002 A 50 ILE HD1% H 1 0.252 0.003 A 50 ILE HG12 H 1 1.186 0.001 A 50 ILE HG13 H 1 0.580 0.004 A 50 ILE HG2% H 1 0.783 0.002 A 50 ILE CB C 13 40.489 0.022 A 50 ILE CD1 C 13 14.969 0.000 A 50 ILE CG1 C 13 28.407 0.001 A 51 ILE H H 1 8.908 0.002 A 51 ILE HA H 1 4.175 0.003 A 51 ILE HB H 1 1.719 0.001 A 51 ILE HD1% H 1 0.835 0.000 A 51 ILE HG12 H 1 1.054 0.000 A 51 ILE HG13 H 1 1.054 0.000 A 51 ILE HG2% H 1 0.855 0.001 A 51 ILE CA C 13 62.140 0.000 A 51 ILE CB C 13 38.460 0.011 A 51 ILE CD1 C 13 12.928 0.000 A 51 ILE N N 15 127.007 0.000 A 52 ILE H H 1 8.317 0.001 A 52 ILE HA H 1 4.212 0.004 A 52 ILE HB H 1 1.686 0.001 A 52 ILE HD1% H 1 0.699 0.002 A 52 ILE HG12 H 1 1.273 0.001 A 52 ILE HG13 H 1 0.979 0.003 A 52 ILE HG2% H 1 0.787 0.002 A 52 ILE CA C 13 60.958 0.000 A 52 ILE CB C 13 38.995 0.014 A 52 ILE CD1 C 13 12.578 0.000 A 52 ILE N N 15 126.462 0.000 A 53 HIS H H 1 7.985 0.001 A 53 HIS HA H 1 4.420 0.003 A 53 HIS HBy H 1 3.177 0.004 A 53 HIS HBx H 1 3.122 0.001 A 53 HIS HD2 H 1 7.249 0.003 A 53 HIS HE1 H 1 8.459 0.013 A 53 HIS CA C 13 57.137 0.000 A 53 HIS CB C 13 30.428 0.029 A 53 HIS CE1 C 13 135.949 0.000 A 53 HIS N N 15 124.852 0.000 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 3 THR HA A 4 GLU H 1.0 1.8 3.04 2 2 A 4 GLU HA A 5 GLU H 1.0 1.8 2.94 3 3 A 5 GLU HA A 6 PRO HDy 1.0 1.8 3.21 4 4 A 5 GLU HA A 6 PRO HDx 1.0 1.8 3.21 5 5 A 6 PRO HA A 7 ILE H 1.0 1.8 3.10 6 6 A 8 ARG H A 9 HIS H 1.0 1.8 4.73 7 7 A 9 HIS HA A 10 ALA H 1.0 1.8 2.98 8 8 A 37 LYS HA A 38 ALA H 1.0 1.8 2.90 9 9 A 35 ILE HA A 36 ALA H 1.0 1.8 3.08 10 10 A 34 LYS H A 35 ILE H 1.0 1.8 3.41 11 11 A 34 LYS H A 33 SER H 1.0 1.8 3.45 12 12 A 33 SER H A 32 GLN H 1.0 1.8 3.62 13 13 A 32 GLN H A 31 ASP H 1.0 1.8 4.65 14 14 A 32 GLN H A 31 ASP HA 1.0 1.8 2.96 15 15 A 31 ASP H A 30 GLY H 1.0 1.8 3.63 16 16 A 30 GLY H A 29 ASN H 1.0 1.8 3.70 17 17 A 29 ASN H A 28 ALA H 1.0 1.8 3.76 18 18 A 26 ALA H A 27 PHE H 1.0 1.8 3.43 19 19 A 26 ALA H A 25 ASP H 1.0 1.8 3.60 20 20 A 25 ASP H A 24 ALA H 1.0 1.8 3.63 21 21 A 22 ALA H A 23 CYS H 1.0 1.8 3.48 22 22 A 19 CYS H A 20 LYS H 1.0 1.8 3.85 23 23 A 11 LYS HA A 12 LYS H 1.0 1.8 3.00 24 24 A 12 LYS H A 11 LYS H 1.0 1.8 5.01 25 25 A 38 ALA HA A 39 GLU H 1.0 1.8 3.02 26 26 A 39 GLU HA A 40 ASN H 1.0 1.8 3.39 27 27 A 2 GLU HA A 3 THR H 1.0 1.8 3.02 28 28 A 1 GLU HA A 2 GLU H 1.0 1.8 3.29 29 29 A 52 ILE H A 53 HIS H 1.0 1.8 3.57 30 30 A 50 ILE HA A 51 ILE H 1.0 1.8 3.03 31 31 A 51 ILE H A 50 ILE H 1.0 1.8 5.05 32 32 A 50 ILE H A 49 HIS HA 1.0 1.8 3.03 33 33 A 47 ASN HA A 48 CYS H 1.0 1.8 3.04 34 34 A 46 CYS HA A 47 ASN H 1.0 1.8 3.14 35 35 A 45 TYR HA A 46 CYS H 1.0 1.8 3.04 36 36 A 43 ASP HA A 44 TYR H 1.0 1.8 3.05 37 37 A 42 LYS HA A 43 ASP H 1.0 1.8 2.93 38 38 A 13 ASN HA A 14 PRO HDy 1.0 1.8 3.59 39 39 A 13 ASN HA A 14 PRO HDx 1.0 1.8 3.59 40 40 A 16 GLU H A 17 GLY H 1.0 1.8 3.88 41 41 A 9 HIS HBy A 9 HIS HD2 1.0 1.8 3.70 42 42 A 13 ASN HA A 13 ASN HD2y 1.0 1.8 4.10 43 43 A 38 ALA HA A 47 ASN H 1.0 1.8 4.88 44 44 A 24 ALA H A 20 LYS HA 1.0 1.8 4.56 45 45 A 18 GLU HA A 21 LYS H 1.0 1.8 4.31 46 46 A 22 ALA H A 20 LYS HA 1.0 1.8 5.33 47 47 A 28 ALA H A 24 ALA HA 1.0 1.8 3.96 48 48 A 27 PHE H A 24 ALA HA 1.0 1.8 4.47 49 49 A 6 PRO HA A 47 ASN H 1.0 1.8 5.50 50 50 A 40 ASN HA A 41 PHE H 1.0 1.8 3.28 51 51 A 38 ALA HA A 49 HIS H 1.0 1.8 4.22 52 52 A 44 TYR H A 13 ASN HA 1.0 1.8 5.31 53 53 A 27 PHE H A 23 CYS HA 1.0 1.8 4.82 54 54 A 9 HIS H A 44 TYR HA 1.0 1.8 4.88 55 55 A 44 TYR HA A 44 TYR HD% 1.0 1.8 3.43 56 56 A 49 HIS HBy A 49 HIS HD2 1.0 1.8 3.93 57 57 A 40 ASN HA A 40 ASN HD2y 1.0 1.8 4.02 58 58 A 13 ASN HA A 40 ASN HD2y 1.0 1.8 4.12 59 59 A 43 ASP HA A 40 ASN HD2y 1.0 1.8 4.15 60 60 A 44 TYR H A 40 ASN HD2y 1.0 1.8 4.41 61 61 A 13 ASN HD2y A 40 ASN HD2y 1.0 1.8 4.95 62 62 A 41 PHE H A 40 ASN HD2y 1.0 1.8 4.99 63 63 A 40 ASN HD2y A 42 LYS H 1.0 1.8 4.36 64 64 A 39 GLU H A 47 ASN H 1.0 1.8 3.74 65 65 A 44 TYR H A 12 LYS HGy 1.0 1.8 5.08 66 66 A 44 TYR H A 12 LYS HA 1.0 1.8 3.38 67 67 A 44 TYR H A 43 ASP HBx 1.0 1.8 4.15 68 68 A 44 TYR H A 43 ASP HBy 1.0 1.8 4.50 69 69 A 19 CYS H A 18 GLU H 1.0 1.8 3.64 70 70 A 19 CYS H A 16 GLU HA 1.0 1.8 4.04 71 71 A 27 PHE H A 25 ASP H 1.0 1.8 5.11 72 72 A 29 ASN H A 27 PHE H 1.0 1.8 5.45 73 73 A 28 ALA H A 27 PHE HBx 1.0 1.8 4.75 74 74 A 28 ALA H A 27 PHE HBy 1.0 1.8 4.75 75 75 A 27 PHE H A 26 ALA HB% 1.0 1.8 3.35 76 76 A 9 HIS HD2 A 22 ALA HB% 1.0 1.8 2.89 77 77 A 40 ASN HA A 40 ASN HD2x 1.0 1.8 3.31 78 78 A 46 CYS H A 46 CYS HBy 1.0 1.8 3.56 79 79 A 11 LYS H A 10 ALA HB% 1.0 1.8 3.75 80 80 A 46 CYS H A 45 TYR HD% 1.0 1.8 3.56 81 81 A 6 PRO HA A 47 ASN HA 1.0 1.8 3.30 82 82 A 4 GLU HA A 49 HIS HA 1.0 1.8 3.72 83 83 A 38 ALA HA A 48 CYS HA 1.0 1.8 3.75 84 84 A 2 GLU HA A 51 ILE HA 1.0 1.8 3.50 85 85 A 45 TYR HA A 8 ARG HA 1.0 1.8 3.40 86 86 A 8 ARG H A 7 ILE HA 1.0 1.8 2.92 87 87 A 49 HIS H A 48 CYS HA 1.0 1.8 3.10 88 88 A 4 GLU HA A 50 ILE H 1.0 1.8 4.22 89 89 A 7 ILE H A 47 ASN HA 1.0 1.8 4.19 90 90 A 46 CYS H A 8 ARG HA 1.0 1.8 4.17 91 91 A 33 SER H A 33 SER HBx 1.0 1.8 3.79 92 92 A 24 ALA H A 23 CYS HBy 1.0 1.8 3.56 93 93 A 20 LYS H A 19 CYS HBy 1.0 1.8 4.16 94 94 A 20 LYS H A 19 CYS HBx 1.0 1.8 3.74 95 95 A 38 ALA HA A 19 CYS HBy 1.0 1.8 4.62 96 96 A 38 ALA HA A 19 CYS HBx 1.0 1.8 5.37 97 97 A 9 HIS H A 8 ARG HBy 1.0 1.8 4.21 98 98 A 47 ASN H A 47 ASN HBx 1.0 1.8 3.62 99 99 A 47 ASN H A 47 ASN HBy 1.0 1.8 3.81 100 100 A 40 ASN H A 40 ASN HBy 1.0 1.8 3.97 101 101 A 19 CYS H A 19 CYS HBy 1.0 1.8 3.77 102 102 A 19 CYS H A 19 CYS HBx 1.0 1.8 3.33 103 103 A 21 LYS HA A 32 GLN HE2x 1.0 1.8 4.43 104 104 A 44 TYR HD% A 10 ALA HA 1.0 1.8 4.30 105 105 A 49 HIS H A 49 HIS HBx 1.0 1.8 3.97 106 106 A 49 HIS H A 49 HIS HBy 1.0 1.8 3.59 107 107 A 27 PHE H A 27 PHE HBy 1.0 1.8 3.91 108 108 A 27 PHE H A 27 PHE HBx 1.0 1.8 3.91 109 109 A 23 CYS HA A 27 PHE HD% 1.0 1.8 4.06 110 110 A 23 CYS HA A 27 PHE HE% 1.0 1.8 4.20 111 111 A 27 PHE HE% A 50 ILE HD1% 1.0 1.8 3.88 112 112 A 27 PHE HE% A 48 CYS HBy 1.0 1.8 3.63 113 113 A 27 PHE HD% A 27 PHE HA 1.0 1.8 3.17 114 114 A 27 PHE HE% A 27 PHE HA 1.0 1.8 4.31 115 115 A 41 PHE H A 41 PHE HBx 1.0 1.8 4.01 116 116 A 41 PHE H A 41 PHE HBy 1.0 1.8 4.01 117 117 A 45 TYR H A 45 TYR HBy 1.0 1.8 3.96 118 118 A 45 TYR H A 45 TYR HBx 1.0 1.8 3.96 119 119 A 41 PHE HE% A 42 LYS HGx 1.0 1.8 5.30 120 120 A 32 GLN H A 32 GLN HBx 1.0 1.8 3.85 121 121 A 32 GLN H A 32 GLN HGx 1.0 1.8 3.60 122 122 A 32 GLN H A 32 GLN HBy 1.0 1.8 3.85 123 123 A 32 GLN H A 32 GLN HGy 1.0 1.8 3.60 124 124 A 21 LYS HBx A 32 GLN HE2y 1.0 1.8 4.06 125 125 A 13 ASN H A 13 ASN HBx 1.0 1.8 4.11 126 126 A 13 ASN H A 13 ASN HBy 1.0 1.8 4.11 127 127 A 47 ASN HBx A 47 ASN HD2x 1.0 1.8 4.01 128 128 A 32 GLN HE2x A 21 LYS HBx 1.0 1.8 4.23 129 129 A 47 ASN HBx A 47 ASN HD2y 1.0 1.8 4.01 130 130 A 27 PHE H A 27 PHE HD% 1.0 1.8 3.97 131 131 A 16 GLU HA A 19 CYS HBx 1.0 1.8 3.68 132 132 A 23 CYS H A 20 LYS HA 1.0 1.8 4.14 133 133 A 20 LYS H A 16 GLU HA 1.0 1.8 4.25 134 134 A 20 LYS H A 20 LYS HBy 1.0 1.8 3.64 135 135 A 20 LYS H A 20 LYS HBx 1.0 1.8 3.64 136 136 A 16 GLU HA A 19 CYS HBy 1.0 1.8 4.45 137 137 A 21 LYS H A 21 LYS HBx 1.0 1.8 3.05 138 138 A 21 LYS H A 21 LYS HBy 1.0 1.8 3.26 139 139 A 3 THR H A 3 THR HB 1.0 1.8 4.09 140 140 A 3 THR H A 3 THR HG2% 1.0 1.8 4.07 141 141 A 5 GLU H A 50 ILE HD1% 1.0 1.8 4.18 142 142 A 49 HIS H A 50 ILE HD1% 1.0 1.8 5.50 143 143 A 51 ILE H A 50 ILE HD1% 1.0 1.8 5.50 144 144 A 3 THR H A 50 ILE HD1% 1.0 1.8 5.27 145 145 A 48 CYS H A 50 ILE HD1% 1.0 1.8 5.17 146 146 A 50 ILE H A 50 ILE HD1% 1.0 1.8 4.11 147 147 A 20 LYS HA A 23 CYS HBx 1.0 1.8 4.24 148 148 A 43 ASP H A 43 ASP HBy 1.0 1.8 3.34 149 149 A 50 ILE HD1% A 5 GLU HBx 1.0 1.8 3.44 150 150 A 50 ILE HD1% A 50 ILE HB 1.0 1.8 3.73 151 151 A 50 ILE HD1% A 50 ILE HG2% 1.0 1.8 3.25 152 152 A 50 ILE HA A 50 ILE HG2% 1.0 1.8 3.34 153 153 A 50 ILE H A 50 ILE HG13 1.0 1.8 3.80 154 154 A 50 ILE H A 50 ILE HB 1.0 1.8 3.31 155 155 A 50 ILE HD1% A 48 CYS HBy 1.0 1.8 3.54 156 156 A 7 ILE H A 7 ILE HG13 1.0 1.8 4.12 157 157 A 46 CYS H A 7 ILE HG13 1.0 1.8 4.49 158 158 A 29 ASN H A 28 ALA HB% 1.0 1.8 4.23 159 159 A 7 ILE H A 7 ILE HG12 1.0 1.8 3.82 160 160 A 7 ILE H A 6 PRO HBy 1.0 1.8 4.01 161 161 A 7 ILE H A 6 PRO HBx 1.0 1.8 4.01 162 162 A 8 ARG H A 7 ILE HB 1.0 1.8 3.74 163 163 A 27 PHE HD% A 7 ILE HB 1.0 1.8 5.29 164 164 A 27 PHE HE% A 7 ILE HB 1.0 1.8 3.82 165 165 A 44 TYR HD% A 12 LYS HA 1.0 1.8 3.73 166 166 A 12 LYS HA A 44 TYR HE% 1.0 1.8 3.84 167 167 A 49 HIS HBx A 37 LYS H 1.0 1.8 3.84 168 168 A 49 HIS HBy A 37 LYS H 1.0 1.8 3.43 169 169 A 35 ILE HA A 37 LYS H 1.0 1.8 4.40 170 170 A 37 LYS H A 35 ILE HG2% 1.0 1.8 3.47 171 171 A 49 HIS H A 37 LYS H 1.0 1.8 4.23 172 172 A 35 ILE HA A 51 ILE H 1.0 1.8 4.62 173 173 A 3 THR H A 49 HIS HA 1.0 1.8 4.82 174 174 A 2 GLU HA A 3 THR HB 1.0 1.8 5.49 175 175 A 2 GLU H A 1 GLU HBx 1.0 1.8 5.18 176 176 A 2 GLU H A 1 GLU HBy 1.0 1.8 5.18 177 177 A 2 GLU HA A 52 ILE HB 1.0 1.8 5.13 178 178 A 2 GLU HA A 2 GLU HGy 1.0 1.8 4.07 179 179 A 2 GLU HA A 2 GLU HGx 1.0 1.8 4.07 180 180 A 44 TYR HD% A 12 LYS HGx 1.0 1.8 4.85 181 181 A 44 TYR HE% A 12 LYS HGx 1.0 1.8 3.99 182 182 A 9 HIS H A 9 HIS HBx 1.0 1.8 4.04 183 183 A 10 ALA H A 10 ALA HB% 1.0 1.8 2.91 184 184 A 16 GLU HA A 16 GLU HGy 1.0 1.8 3.98 185 185 A 16 GLU HA A 16 GLU HGx 1.0 1.8 3.98 186 186 A 40 ASN H A 40 ASN HBx 1.0 1.8 3.97 187 187 A 52 ILE HA A 52 ILE HG2% 1.0 1.8 3.24 188 188 A 52 ILE HA A 52 ILE HD1% 1.0 1.8 3.93 189 189 A 9 HIS H A 8 ARG HBx 1.0 1.8 4.11 190 190 A 20 LYS HA A 20 LYS HGx 1.0 1.8 3.85 191 191 A 20 LYS HA A 20 LYS HGy 1.0 1.8 3.85 192 192 A 7 ILE HB A 7 ILE HD1% 1.0 1.8 3.53 193 193 A 37 LYS H A 36 ALA HB% 1.0 1.8 3.27 194 194 A 50 ILE HD1% A 5 GLU HBy 1.0 1.8 3.33 195 195 A 51 ILE H A 51 ILE HG2% 1.0 1.8 3.99 196 196 A 8 ARG H A 8 ARG HBy 1.0 1.8 3.24 197 197 A 12 LYS HA A 12 LYS HGx 1.0 1.8 3.60 198 198 A 12 LYS HGy A 12 LYS HA 1.0 1.8 3.85 199 199 A 52 ILE H A 52 ILE HG12 1.0 1.8 4.03 200 200 A 25 ASP H A 25 ASP HBy 1.0 1.8 3.71 201 201 A 25 ASP H A 25 ASP HBx 1.0 1.8 3.71 202 202 A 47 ASN H A 46 CYS HBx 1.0 1.8 4.04 203 203 A 6 PRO HA A 41 PHE HD% 1.0 1.8 4.61 204 204 A 45 TYR HA A 45 TYR HD% 1.0 1.8 3.72 205 205 A 47 ASN HA A 41 PHE HD% 1.0 1.8 5.48 206 206 A 38 ALA HA A 49 HIS HD2 1.0 1.8 3.70 207 207 A 40 ASN HD2y A 13 ASN HD2x 1.0 1.8 4.95 208 208 A 13 ASN HA A 13 ASN HD2x 1.0 1.8 4.10 209 209 A 45 TYR HA A 45 TYR HE% 1.0 1.8 5.15 210 210 A 6 PRO HA A 48 CYS H 1.0 1.8 3.90 211 211 A 2 GLU HA A 52 ILE H 1.0 1.8 3.69 212 212 A 5 GLU H A 47 ASN HA 1.0 1.8 5.06 213 213 A 40 ASN HD2y A 45 TYR H 1.0 1.8 4.13 214 214 A 39 GLU H A 46 CYS HA 1.0 1.8 5.15 215 215 A 9 HIS H A 45 TYR HA 1.0 1.8 3.90 216 216 A 11 LYS H A 9 HIS HBx 1.0 1.8 4.61 217 217 A 11 LYS H A 44 TYR HD% 1.0 1.8 5.12 218 218 A 10 ALA H A 11 LYS H 1.0 1.8 4.23 219 219 A 47 ASN H A 46 CYS HBy 1.0 1.8 4.51 220 220 A 43 ASP H A 43 ASP HBx 1.0 1.8 3.73 221 221 A 36 ALA H A 35 ILE HB 1.0 1.8 4.69 222 222 A 8 ARG H A 8 ARG HDx 1.0 1.8 5.50 223 223 A 8 ARG H A 8 ARG HDy 1.0 1.8 5.50 224 224 A 40 ASN HD2x A 14 PRO HDy 1.0 1.8 4.25 225 225 A 40 ASN HD2x A 14 PRO HDx 1.0 1.8 4.25 226 226 A 39 GLU H A 19 CYS HBy 1.0 1.8 4.85 227 227 A 39 GLU H A 47 ASN HBx 1.0 1.8 5.06 228 228 A 39 GLU H A 46 CYS HBx 1.0 1.8 5.04 229 229 A 39 GLU H A 19 CYS HBx 1.0 1.8 4.69 230 230 A 10 ALA H A 9 HIS HBx 1.0 1.8 4.60 231 231 A 10 ALA H A 9 HIS HBy 1.0 1.8 4.55 232 232 A 45 TYR HD% A 44 TYR HBy 1.0 1.8 4.38 233 233 A 41 PHE HE% A 45 TYR HBy 1.0 1.8 5.14 234 234 A 49 HIS HD2 A 48 CYS HBx 1.0 1.8 5.17 235 235 A 47 ASN HBy A 41 PHE HD% 1.0 1.8 3.86 236 236 A 27 PHE HD% A 50 ILE HD1% 1.0 1.8 3.80 237 237 A 27 PHE HE% A 5 GLU HBy 1.0 1.8 4.86 238 238 A 27 PHE HE% A 7 ILE HG2% 1.0 1.8 3.32 239 239 A 45 TYR HD% A 42 LYS HGx 1.0 1.8 4.40 240 240 A 34 LYS H A 35 ILE HD1% 1.0 1.8 5.31 241 241 A 49 HIS H A 50 ILE HG2% 1.0 1.8 5.50 242 242 A 36 ALA H A 35 ILE HD1% 1.0 1.8 3.99 243 243 A 52 ILE H A 52 ILE HG13 1.0 1.8 4.03 244 244 A 52 ILE H A 51 ILE HG2% 1.0 1.8 3.71 245 245 A 52 ILE H A 52 ILE HG2% 1.0 1.8 4.03 246 246 A 52 ILE H A 52 ILE HD1% 1.0 1.8 4.57 247 247 A 5 GLU H A 5 GLU HBy 1.0 1.8 4.03 248 248 A 53 HIS H A 52 ILE HD1% 1.0 1.8 4.88 249 249 A 27 PHE H A 35 ILE HD1% 1.0 1.8 5.43 250 250 A 33 SER H A 33 SER HBy 1.0 1.8 3.79 251 251 A 24 ALA H A 22 ALA HA 1.0 1.8 5.00 252 252 A 4 GLU H A 3 THR HB 1.0 1.8 4.19 253 253 A 9 HIS HE1 A 14 PRO HA 1.0 1.8 5.02 254 254 A 35 ILE H A 33 SER HA 1.0 1.8 4.54 255 255 A 26 ALA H A 24 ALA HA 1.0 1.8 5.05 256 256 A 31 ASP H A 25 ASP HA 1.0 1.8 4.97 257 257 A 52 ILE H A 51 ILE HA 1.0 1.8 2.91 258 258 A 28 ALA H A 26 ALA HA 1.0 1.8 5.50 259 259 A 27 PHE HE% A 5 GLU HBx 1.0 1.8 4.13 260 260 A 35 ILE H A 34 LYS HBx 1.0 1.8 4.73 261 261 A 27 PHE H A 28 ALA HB% 1.0 1.8 4.90 262 262 A 50 ILE H A 3 THR HG2% 1.0 1.8 5.34 263 263 A 50 ILE H A 5 GLU HBy 1.0 1.8 5.50 264 264 A 50 ILE H A 50 ILE HG2% 1.0 1.8 4.33 265 265 A 9 HIS H A 8 ARG HA 1.0 1.8 3.01 266 266 A 14 PRO HA A 15 SER H 1.0 1.8 2.98 267 267 A 16 GLU H A 15 SER HA 1.0 1.8 3.30 268 268 A 15 SER H A 15 SER HBy 1.0 1.8 3.96 269 269 A 15 SER H A 15 SER HBx 1.0 1.8 3.96 270 270 A 9 HIS H A 44 TYR HBx 1.0 1.8 4.63 271 271 A 44 TYR H A 12 LYS HGx 1.0 1.8 5.31 272 272 A 47 ASN HA A 4 GLU HBx 1.0 1.8 4.90 273 273 A 47 ASN HA A 5 GLU HBx 1.0 1.8 5.50 274 274 A 49 HIS HA A 50 ILE HB 1.0 1.8 5.50 275 275 A 50 ILE HD1% A 48 CYS HBx 1.0 1.8 4.50 276 276 A 20 LYS HA A 35 ILE HG2% 1.0 1.8 3.51 277 277 A 20 LYS HA A 38 ALA HB% 1.0 1.8 3.32 278 278 A 36 ALA H A 35 ILE HG2% 1.0 1.8 3.40 279 279 A 24 ALA H A 24 ALA HB% 1.0 1.8 2.86 280 280 A 31 ASP H A 28 ALA HB% 1.0 1.8 3.71 281 281 A 32 GLN HE2y A 24 ALA HB% 1.0 1.8 4.69 282 282 A 31 ASP H A 24 ALA HB% 1.0 1.8 4.06 283 283 A 51 ILE H A 50 ILE HG2% 1.0 1.8 3.57 284 284 A 51 ILE H A 35 ILE HD1% 1.0 1.8 5.16 285 285 A 33 SER H A 32 GLN HBy 1.0 1.8 4.54 286 286 A 33 SER H A 32 GLN HBx 1.0 1.8 4.54 287 287 A 22 ALA H A 22 ALA HB% 1.0 1.8 2.97 288 288 A 53 HIS H A 52 ILE HB 1.0 1.8 3.44 289 289 A 39 GLU H A 38 ALA HB% 1.0 1.8 3.59 290 290 A 4 GLU H A 3 THR HG2% 1.0 1.8 4.00 291 291 A 26 ALA H A 26 ALA HB% 1.0 1.8 3.05 292 292 A 42 LYS H A 42 LYS HGx 1.0 1.8 4.87 293 293 A 48 CYS H A 48 CYS HBy 1.0 1.8 3.56 294 294 A 5 GLU H A 48 CYS HBy 1.0 1.8 4.04 295 295 A 23 CYS H A 23 CYS HBy 1.0 1.8 3.28 296 296 A 45 TYR HD% A 8 ARG HA 1.0 1.8 3.98 297 297 A 35 ILE H A 32 GLN HA 1.0 1.8 4.29 298 298 A 34 LYS H A 32 GLN HA 1.0 1.8 4.34 299 299 A 5 GLU H A 49 HIS HA 1.0 1.8 4.28 300 300 A 8 ARG H A 7 ILE HD1% 1.0 1.8 3.90 301 301 A 8 ARG H A 7 ILE HG2% 1.0 1.8 4.23 302 302 A 49 HIS H A 35 ILE HG2% 1.0 1.8 3.94 303 303 A 49 HIS H A 38 ALA HB% 1.0 1.8 3.86 304 304 A 25 ASP H A 24 ALA HB% 1.0 1.8 3.29 305 305 A 38 ALA H A 38 ALA HB% 1.0 1.8 3.47 306 306 A 51 ILE H A 51 ILE HB 1.0 1.8 3.31 307 307 A 41 PHE H A 42 LYS H 1.0 1.8 3.50 308 308 A 22 ALA H A 21 LYS H 1.0 1.8 3.54 309 309 A 12 LYS H A 13 ASN H 1.0 1.8 3.67 310 310 A 28 ALA H A 27 PHE H 1.0 1.8 3.22 311 311 A 41 PHE H A 40 ASN HD2x 1.0 1.8 3.95 312 312 A 45 TYR HD% A 45 TYR H 1.0 1.8 4.18 313 313 A 42 LYS H A 45 TYR H 1.0 1.8 4.66 314 314 A 12 LYS H A 44 TYR HE% 1.0 1.8 4.38 315 315 A 49 HIS H A 49 HIS HD2 1.0 1.8 3.55 316 316 A 36 ALA H A 37 LYS H 1.0 1.8 3.36 317 317 A 4 GLU H A 3 THR H 1.0 1.8 4.62 318 318 A 17 GLY H A 18 GLU H 1.0 1.8 3.81 319 319 A 20 LYS H A 21 LYS H 1.0 1.8 3.68 320 320 A 24 ALA H A 23 CYS H 1.0 1.8 3.53 321 321 A 3 THR H A 50 ILE H 1.0 1.8 3.86 322 322 A 44 TYR H A 45 TYR H 1.0 1.8 3.91 323 323 A 44 TYR H A 40 ASN HD2x 1.0 1.8 5.11 324 324 A 44 TYR H A 43 ASP H 1.0 1.8 4.82 325 325 A 48 CYS H A 47 ASN H 1.0 1.8 5.12 326 326 A 7 ILE H A 48 CYS H 1.0 1.8 4.85 327 327 A 47 ASN H A 41 PHE H 1.0 1.8 4.44 328 328 A 44 TYR H A 44 TYR HD% 1.0 1.8 4.22 329 329 A 7 ILE H A 7 ILE HD1% 1.0 1.8 5.04 330 330 A 46 CYS H A 7 ILE HD1% 1.0 1.8 5.25 331 331 A 7 ILE H A 7 ILE HG2% 1.0 1.8 3.43 332 332 A 43 ASP H A 42 LYS HGx 1.0 1.8 4.75 333 333 A 12 LYS H A 12 LYS HGx 1.0 1.8 4.70 334 334 A 28 ALA H A 35 ILE HD1% 1.0 1.8 5.50 335 335 A 28 ALA H A 26 ALA HB% 1.0 1.8 5.50 336 336 A 9 HIS HD2 A 14 PRO HBx 1.0 1.8 5.50 337 337 A 9 HIS HD2 A 7 ILE HG13 1.0 1.8 5.50 338 338 A 9 HIS HD2 A 14 PRO HBy 1.0 1.8 5.50 339 339 A 9 HIS HD2 A 14 PRO HGy 1.0 1.8 5.50 340 340 A 9 HIS HD2 A 14 PRO HGx 1.0 1.8 5.50 341 341 A 9 HIS HD2 A 7 ILE HD1% 1.0 1.8 4.76 342 342 A 32 GLN HE2y A 21 LYS HDy 1.0 1.8 5.04 343 343 A 32 GLN HE2y A 21 LYS HDx 1.0 1.8 5.04 344 344 A 50 ILE HD1% A 3 THR HB 1.0 1.8 4.96 345 345 A 4 GLU HA A 3 THR HG2% 1.0 1.8 5.42 346 346 A 4 GLU HA A 5 GLU HBy 1.0 1.8 5.50 347 347 A 6 PRO HA A 7 ILE HG2% 1.0 1.8 4.63 348 348 A 38 ALA HA A 35 ILE HG2% 1.0 1.8 4.68 349 349 A 45 TYR HA A 7 ILE HD1% 1.0 1.8 5.10 350 350 A 2 GLU HA A 52 ILE HD1% 1.0 1.8 4.90 351 351 A 49 HIS HA A 4 GLU HBx 1.0 1.8 5.50 352 352 A 47 ASN HA A 7 ILE HG12 1.0 1.8 4.82 353 353 A 45 TYR HA A 7 ILE HG13 1.0 1.8 4.82 354 354 A 45 TYR HA A 8 ARG HBx 1.0 1.8 5.46 355 355 A 6 PRO HA A 47 ASN HBy 1.0 1.8 4.90 356 356 A 6 PRO HA A 7 ILE HG13 1.0 1.8 5.19 357 357 A 6 PRO HA A 7 ILE HG12 1.0 1.8 5.12 358 358 A 45 TYR HA A 46 CYS HBy 1.0 1.8 4.47 359 359 A 4 GLU HA A 50 ILE HD1% 1.0 1.8 5.29 360 360 A 49 HIS HA A 50 ILE HD1% 1.0 1.8 5.14 361 361 A 5 GLU HA A 50 ILE HD1% 1.0 1.8 5.47 362 362 A 50 ILE HA A 50 ILE HD1% 1.0 1.8 4.50 363 363 A 35 ILE HA A 35 ILE HD1% 1.0 1.8 3.32 364 364 A 50 ILE HA A 35 ILE HD1% 1.0 1.8 3.72 365 365 A 24 ALA HA A 35 ILE HD1% 1.0 1.8 3.54 366 366 A 3 THR H A 50 ILE HG2% 1.0 1.8 5.17 367 367 A 3 THR H A 50 ILE HB 1.0 1.8 4.14 368 368 A 8 ARG HA A 45 TYR HE% 1.0 1.8 4.66 369 369 A 24 ALA H A 23 CYS HBx 1.0 1.8 3.97 370 370 A 49 HIS H A 48 CYS HBx 1.0 1.8 4.35 371 371 A 48 CYS H A 47 ASN HBy 1.0 1.8 4.48 372 372 A 48 CYS H A 48 CYS HBx 1.0 1.8 3.97 373 373 A 9 HIS H A 9 HIS HBy 1.0 1.8 3.84 374 374 A 51 ILE H A 36 ALA HB% 1.0 1.8 4.73 375 375 A 12 LYS HGy A 13 ASN H 1.0 1.8 4.76 376 376 A 45 TYR HE% A 42 LYS HGy 1.0 1.8 4.91 377 377 A 44 TYR HD% A 12 LYS HGy 1.0 1.8 5.37 378 378 A 35 ILE H A 35 ILE HD1% 1.0 1.8 4.23 379 379 A 27 PHE HD% A 35 ILE HD1% 1.0 1.8 3.94 380 380 A 47 ASN HBy A 41 PHE HE% 1.0 1.8 5.50 381 381 A 41 PHE HE% A 42 LYS HBx 1.0 1.8 5.50 382 382 A 41 PHE HE% A 42 LYS HBy 1.0 1.8 5.50 383 383 A 35 ILE H A 35 ILE HB 1.0 1.8 3.27 384 384 A 21 LYS HA A 32 GLN HE2y 1.0 1.8 4.15 385 385 A 33 SER H A 31 ASP HA 1.0 1.8 4.20 386 386 A 40 ASN HA A 42 LYS H 1.0 1.8 4.57 387 387 A 44 TYR HD% A 43 ASP HBy 1.0 1.8 3.74 388 388 A 44 TYR HD% A 43 ASP HBx 1.0 1.8 3.41 389 389 A 43 ASP HBx A 44 TYR HE% 1.0 1.8 3.92 390 390 A 51 ILE HA A 2 GLU HGy 1.0 1.8 4.46 391 391 A 51 ILE HA A 2 GLU HGx 1.0 1.8 4.46 392 392 A 18 GLU HA A 21 LYS HBy 1.0 1.8 3.93 393 393 A 32 GLN HA A 32 GLN HGx 1.0 1.8 4.00 394 394 A 9 HIS HA A 10 ALA HB% 1.0 1.8 4.04 395 395 A 8 ARG HA A 8 ARG HDx 1.0 1.8 5.42 396 396 A 8 ARG HA A 8 ARG HDy 1.0 1.8 5.42 397 397 A 3 THR HA A 3 THR HG2% 1.0 1.8 3.67 398 398 A 43 ASP HA A 12 LYS HGy 1.0 1.8 4.78 399 399 A 7 ILE HA A 7 ILE HG2% 1.0 1.8 3.55 400 400 A 7 ILE HA A 7 ILE HD1% 1.0 1.8 4.03 401 401 A 35 ILE HA A 50 ILE HA 1.0 1.8 4.00 402 402 A 8 ARG HA A 7 ILE HA 1.0 1.8 4.53 403 403 A 20 LYS HA A 19 CYS HBy 1.0 1.8 4.22 404 404 A 35 ILE HA A 35 ILE HG2% 1.0 1.8 3.33 405 405 A 51 ILE HA A 51 ILE HG2% 1.0 1.8 3.18 406 406 A 49 HIS HBy A 35 ILE HG2% 1.0 1.8 3.76 407 407 A 27 PHE HE% A 7 ILE HG12 1.0 1.8 4.51 408 408 A 34 LYS H A 34 LYS HBx 1.0 1.8 3.81 409 409 A 41 PHE HD% A 42 LYS HBx 1.0 1.8 4.17 410 410 A 41 PHE HD% A 42 LYS HBy 1.0 1.8 4.17 411 411 A 45 TYR HD% A 42 LYS HGy 1.0 1.8 3.59 412 412 A 27 PHE HD% A 7 ILE HD1% 1.0 1.8 4.75 413 413 A 27 PHE HE% A 7 ILE HD1% 1.0 1.8 4.11 414 414 A 26 ALA HB% A 27 PHE HD% 1.0 1.8 3.53 415 415 A 26 ALA HB% A 27 PHE HE% 1.0 1.8 4.18 416 416 A 2 GLU H A 1 GLU HGx 1.0 1.8 4.87 417 417 A 2 GLU H A 1 GLU HGy 1.0 1.8 4.87 418 418 A 23 CYS H A 22 ALA HB% 1.0 1.8 3.17 419 419 A 19 CYS H A 18 GLU HBx 1.0 1.8 4.24 420 420 A 19 CYS H A 18 GLU HBy 1.0 1.8 4.90 421 421 A 21 LYS H A 22 ALA HB% 1.0 1.8 4.53 422 422 A 9 HIS HE1 A 18 GLU HBy 1.0 1.8 3.08 423 423 A 34 LYS H A 34 LYS HBy 1.0 1.8 3.81 424 424 A 35 ILE H A 34 LYS HBy 1.0 1.8 4.73 425 425 A 8 ARG HBy A 45 TYR HE% 1.0 1.8 5.03 426 426 A 8 ARG HBx A 45 TYR HE% 1.0 1.8 4.10 427 427 A 10 ALA HB% A 44 TYR HE% 1.0 1.8 4.11 428 428 A 49 HIS HD2 A 38 ALA HB% 1.0 1.8 3.86 429 429 A 43 ASP HBy A 44 TYR HE% 1.0 1.8 5.04 430 430 A 9 HIS HA A 9 HIS HD2 1.0 1.8 4.28 431 431 A 9 HIS HD2 A 22 ALA HA 1.0 1.8 5.34 432 432 A 11 LYS HA A 44 TYR HD% 1.0 1.8 4.47 433 433 A 11 LYS HA A 44 TYR HE% 1.0 1.8 4.27 434 434 A 42 LYS H A 41 PHE HBx 1.0 1.8 4.84 435 435 A 42 LYS H A 41 PHE HBy 1.0 1.8 4.84 436 436 A 27 PHE HD% A 23 CYS HBx 1.0 1.8 4.67 437 437 A 27 PHE HD% A 48 CYS HBx 1.0 1.8 5.36 438 438 A 27 PHE HE% A 48 CYS HBx 1.0 1.8 4.42 439 439 A 53 HIS H A 51 ILE HG2% 1.0 1.8 3.90 440 440 A 53 HIS H A 52 ILE HG2% 1.0 1.8 3.86 441 441 A 27 PHE H A 24 ALA HB% 1.0 1.8 5.06 442 442 A 20 LYS H A 38 ALA HB% 1.0 1.8 3.60 443 443 A 19 CYS H A 38 ALA HB% 1.0 1.8 4.47 444 444 A 50 ILE H A 50 ILE HG12 1.0 1.8 3.80 445 445 A 47 ASN H A 38 ALA HB% 1.0 1.8 4.88 446 446 A 41 PHE HE% A 45 TYR HBx 1.0 1.8 5.14 447 447 A 50 ILE H A 49 HIS HBx 1.0 1.8 4.45 448 448 A 28 ALA H A 29 ASN HA 1.0 1.8 5.25 449 449 A 43 ASP HA A 40 ASN HD2x 1.0 1.8 4.81 450 450 A 39 GLU H A 49 HIS HD2 1.0 1.8 4.26 451 451 A 34 LYS H A 32 GLN H 1.0 1.8 5.28 452 452 A 38 ALA H A 37 LYS H 1.0 1.8 4.99 453 453 A 32 GLN H A 32 GLN HE2y 1.0 1.8 5.37 454 454 A 44 TYR H A 44 TYR HE% 1.0 1.8 5.11 455 455 A 23 CYS H A 9 HIS HD2 1.0 1.8 5.14 456 456 A 9 HIS H A 44 TYR HD% 1.0 1.8 5.50 457 457 A 22 ALA H A 9 HIS HD2 1.0 1.8 5.25 458 458 A 12 LYS H A 44 TYR HD% 1.0 1.8 5.25 459 459 A 28 ALA H A 26 ALA H 1.0 1.8 4.88 460 460 A 42 LYS H A 40 ASN HD2x 1.0 1.8 4.53 461 461 A 28 ALA H A 27 PHE HD% 1.0 1.8 5.12 462 462 A 36 ALA H A 51 ILE H 1.0 1.8 5.12 463 463 A 52 ILE H A 51 ILE H 1.0 1.8 5.09 464 464 A 5 GLU H A 50 ILE H 1.0 1.8 5.20 465 465 A 12 LYS H A 44 TYR H 1.0 1.8 5.50 466 466 A 19 CYS H A 21 LYS H 1.0 1.8 5.13 467 467 A 35 ILE H A 33 SER H 1.0 1.8 5.00 468 468 A 27 PHE H A 24 ALA H 1.0 1.8 5.50 469 469 A 50 ILE H A 49 HIS H 1.0 1.8 4.95 470 470 A 4 GLU HA A 48 CYS H 1.0 1.8 5.26 471 471 A 4 GLU HA A 3 THR H 1.0 1.8 5.50 472 472 A 7 ILE H A 47 ASN H 1.0 1.8 5.50 473 473 A 47 ASN H A 46 CYS H 1.0 1.8 5.50 474 474 A 9 HIS H A 46 CYS H 1.0 1.8 4.81 475 475 A 43 ASP H A 42 LYS H 1.0 1.8 4.52 476 476 A 2 GLU HA A 50 ILE H 1.0 1.8 4.94 477 477 A 11 LYS H A 44 TYR HA 1.0 1.8 5.50 478 478 A 11 LYS H A 44 TYR HE% 1.0 1.8 5.50 479 479 A 11 LYS H A 13 ASN H 1.0 1.8 5.50 480 480 A 9 HIS H A 11 LYS H 1.0 1.8 5.50 481 481 A 38 ALA H A 20 LYS HEx 1.0 1.8 5.35 482 482 A 38 ALA H A 20 LYS HEy 1.0 1.8 5.35 483 483 A 44 TYR H A 45 TYR HD% 1.0 1.8 5.50 484 484 A 32 GLN HA A 32 GLN HGy 1.0 1.8 4.00 485 485 A 1 GLU HA A 1 GLU HGx 1.0 1.8 3.61 486 485 A 1 GLU HA A 1 GLU HGy 1.0 1.8 3.61 487 486 A 2 GLU H A 2 GLU HBy 1.0 1.8 3.70 488 486 A 2 GLU H A 2 GLU HBx 1.0 1.8 3.70 489 487 A 2 GLU HA A 52 ILE HG13 1.0 1.8 3.88 490 487 A 2 GLU HA A 52 ILE HG12 1.0 1.8 3.88 491 488 A 47 ASN HD2y A 4 GLU HBy 1.0 1.8 4.75 492 488 A 47 ASN HD2x A 4 GLU HBy 1.0 1.8 4.75 493 489 A 47 ASN HD2y A 4 GLU HBx 1.0 1.8 3.58 494 489 A 47 ASN HD2x A 4 GLU HBx 1.0 1.8 3.58 495 490 A 5 GLU H A 6 PRO HDy 1.0 1.8 4.95 496 490 A 5 GLU H A 6 PRO HDx 1.0 1.8 4.95 497 491 A 5 GLU HA A 5 GLU HGy 1.0 1.8 3.74 498 491 A 5 GLU HA A 5 GLU HGx 1.0 1.8 3.74 499 492 A 27 PHE HE% A 5 GLU HGy 1.0 1.8 4.65 500 492 A 27 PHE HE% A 5 GLU HGx 1.0 1.8 4.65 501 493 A 50 ILE HD1% A 5 GLU HGy 1.0 1.8 4.06 502 493 A 50 ILE HD1% A 5 GLU HGx 1.0 1.8 4.06 503 494 A 7 ILE H A 6 PRO HBx 1.0 1.8 3.48 504 494 A 7 ILE H A 6 PRO HBy 1.0 1.8 3.48 505 495 A 41 PHE HD% A 6 PRO HBx 1.0 1.8 4.08 506 495 A 41 PHE HD% A 6 PRO HBy 1.0 1.8 4.08 507 496 A 41 PHE HE% A 6 PRO HBx 1.0 1.8 4.13 508 496 A 41 PHE HE% A 6 PRO HBy 1.0 1.8 4.13 509 497 A 47 ASN HA A 6 PRO HBx 1.0 1.8 4.72 510 497 A 47 ASN HA A 6 PRO HBy 1.0 1.8 4.72 511 498 A 48 CYS H A 6 PRO HDy 1.0 1.8 5.35 512 498 A 48 CYS H A 6 PRO HDx 1.0 1.8 5.35 513 499 A 8 ARG H A 8 ARG HDx 1.0 1.8 4.78 514 499 A 8 ARG H A 8 ARG HDy 1.0 1.8 4.78 515 500 A 8 ARG HA A 8 ARG HDx 1.0 1.8 4.62 516 500 A 8 ARG HA A 8 ARG HDy 1.0 1.8 4.62 517 501 A 45 TYR HE% A 8 ARG HDx 1.0 1.8 4.39 518 501 A 45 TYR HE% A 8 ARG HDy 1.0 1.8 4.39 519 502 A 9 HIS HD2 A 14 PRO HGx 1.0 1.8 4.75 520 502 A 9 HIS HD2 A 14 PRO HGy 1.0 1.8 4.75 521 503 A 9 HIS HE1 A 14 PRO HBx 1.0 1.8 4.35 522 503 A 9 HIS HE1 A 14 PRO HBy 1.0 1.8 4.35 523 504 A 9 HIS HE1 A 14 PRO HGx 1.0 1.8 4.54 524 504 A 9 HIS HE1 A 14 PRO HGy 1.0 1.8 4.54 525 505 A 11 LYS H A 11 LYS HBy 1.0 1.8 3.59 526 505 A 11 LYS H A 11 LYS HBx 1.0 1.8 3.59 527 506 A 11 LYS H A 11 LYS HGx 1.0 1.8 4.93 528 506 A 11 LYS H A 11 LYS HGy 1.0 1.8 4.93 529 507 A 13 ASN HD2y A 12 LYS HGy 1.0 1.8 4.88 530 507 A 12 LYS HGy A 13 ASN HD2x 1.0 1.8 4.88 531 508 A 13 ASN H A 12 LYS HDy 1.0 1.8 4.62 532 508 A 13 ASN H A 12 LYS HDx 1.0 1.8 4.62 533 509 A 13 ASN H A 13 ASN HBx 1.0 1.8 3.48 534 509 A 13 ASN H A 13 ASN HBy 1.0 1.8 3.48 535 510 A 13 ASN HA A 13 ASN HD2y 1.0 1.8 3.32 536 510 A 13 ASN HA A 13 ASN HD2x 1.0 1.8 3.32 537 511 A 13 ASN HA A 14 PRO HDy 1.0 1.8 2.99 538 511 A 13 ASN HA A 14 PRO HDx 1.0 1.8 2.99 539 512 A 13 ASN HD2y A 13 ASN HBx 1.0 1.8 3.08 540 512 A 13 ASN HD2x A 13 ASN HBy 1.0 1.8 3.08 541 512 A 13 ASN HD2y A 13 ASN HBy 1.0 1.8 3.08 542 512 A 13 ASN HD2x A 13 ASN HBx 1.0 1.8 3.08 543 513 A 13 ASN HD2y A 40 ASN HD2y 1.0 1.8 4.19 544 513 A 40 ASN HD2y A 13 ASN HD2x 1.0 1.8 4.19 545 514 A 40 ASN HD2x A 14 PRO HDy 1.0 1.8 3.71 546 514 A 40 ASN HD2x A 14 PRO HDx 1.0 1.8 3.71 547 515 A 40 ASN HD2y A 14 PRO HDy 1.0 1.8 3.90 548 515 A 40 ASN HD2y A 14 PRO HDx 1.0 1.8 3.90 549 516 A 44 TYR H A 14 PRO HDy 1.0 1.8 4.72 550 516 A 44 TYR H A 14 PRO HDx 1.0 1.8 4.72 551 517 A 45 TYR H A 14 PRO HDy 1.0 1.8 4.98 552 517 A 45 TYR H A 14 PRO HDx 1.0 1.8 4.98 553 518 A 15 SER H A 15 SER HBx 1.0 1.8 3.20 554 518 A 15 SER H A 15 SER HBy 1.0 1.8 3.20 555 519 A 16 GLU H A 15 SER HBx 1.0 1.8 4.08 556 519 A 16 GLU H A 15 SER HBy 1.0 1.8 4.08 557 520 A 17 GLY H A 15 SER HBx 1.0 1.8 4.73 558 520 A 17 GLY H A 15 SER HBy 1.0 1.8 4.73 559 521 A 16 GLU H A 16 GLU HBx 1.0 1.8 3.06 560 521 A 16 GLU H A 16 GLU HBy 1.0 1.8 3.06 561 522 A 16 GLU H A 16 GLU HGy 1.0 1.8 4.02 562 522 A 16 GLU H A 16 GLU HGx 1.0 1.8 4.02 563 523 A 20 LYS H A 17 GLY HAy 1.0 1.8 4.24 564 523 A 20 LYS H A 17 GLY HAx 1.0 1.8 4.24 565 524 A 20 LYS H A 20 LYS HBx 1.0 1.8 3.03 566 524 A 20 LYS H A 20 LYS HBy 1.0 1.8 3.03 567 525 A 21 LYS H A 20 LYS HBx 1.0 1.8 4.12 568 525 A 21 LYS H A 20 LYS HBy 1.0 1.8 4.12 569 526 A 38 ALA H A 20 LYS HEx 1.0 1.8 4.72 570 526 A 38 ALA H A 20 LYS HEy 1.0 1.8 4.72 571 527 A 21 LYS HA A 32 GLN HGx 1.0 1.8 3.73 572 527 A 21 LYS HA A 32 GLN HGy 1.0 1.8 3.73 573 528 A 24 ALA H A 32 GLN HGx 1.0 1.8 4.70 574 528 A 24 ALA H A 32 GLN HGy 1.0 1.8 4.70 575 529 A 24 ALA H A 35 ILE HG12 1.0 1.8 4.69 576 529 A 24 ALA H A 35 ILE HG13 1.0 1.8 4.69 577 530 A 25 ASP H A 25 ASP HBx 1.0 1.8 3.17 578 530 A 25 ASP H A 25 ASP HBy 1.0 1.8 3.17 579 531 A 25 ASP HA A 30 GLY HAy 1.0 1.8 3.45 580 531 A 25 ASP HA A 30 GLY HAx 1.0 1.8 3.45 581 532 A 26 ALA H A 25 ASP HBx 1.0 1.8 3.59 582 532 A 26 ALA H A 25 ASP HBy 1.0 1.8 3.59 583 533 A 27 PHE H A 27 PHE HBx 1.0 1.8 3.31 584 533 A 27 PHE H A 27 PHE HBy 1.0 1.8 3.31 585 534 A 28 ALA H A 27 PHE HBx 1.0 1.8 4.07 586 534 A 28 ALA H A 27 PHE HBy 1.0 1.8 4.07 587 535 A 29 ASN H A 29 ASN HBy 1.0 1.8 3.45 588 535 A 29 ASN H A 29 ASN HBx 1.0 1.8 3.45 589 536 A 31 ASP H A 31 ASP HBy 1.0 1.8 3.12 590 536 A 31 ASP H A 31 ASP HBx 1.0 1.8 3.12 591 537 A 32 GLN H A 32 GLN HBx 1.0 1.8 3.10 592 537 A 32 GLN H A 32 GLN HBy 1.0 1.8 3.10 593 538 A 32 GLN H A 32 GLN HGx 1.0 1.8 3.09 594 538 A 32 GLN H A 32 GLN HGy 1.0 1.8 3.09 595 539 A 32 GLN HA A 32 GLN HGx 1.0 1.8 3.32 596 539 A 32 GLN HA A 32 GLN HGy 1.0 1.8 3.32 597 540 A 32 GLN HE2y A 32 GLN HBx 1.0 1.8 5.10 598 540 A 32 GLN HE2y A 32 GLN HBy 1.0 1.8 5.10 599 541 A 33 SER H A 32 GLN HBx 1.0 1.8 3.93 600 541 A 33 SER H A 32 GLN HBy 1.0 1.8 3.93 601 542 A 33 SER H A 33 SER HBx 1.0 1.8 3.21 602 542 A 33 SER H A 33 SER HBy 1.0 1.8 3.21 603 543 A 33 SER H A 34 LYS HBx 1.0 1.8 5.05 604 543 A 33 SER H A 34 LYS HBy 1.0 1.8 5.05 605 544 A 34 LYS H A 34 LYS HBx 1.0 1.8 3.18 606 544 A 34 LYS H A 34 LYS HBy 1.0 1.8 3.18 607 545 A 34 LYS H A 34 LYS HDx 1.0 1.8 4.53 608 545 A 34 LYS H A 34 LYS HDy 1.0 1.8 4.53 609 546 A 34 LYS H A 35 ILE HG12 1.0 1.8 4.99 610 546 A 34 LYS H A 35 ILE HG13 1.0 1.8 4.99 611 547 A 35 ILE H A 34 LYS HGy 1.0 1.8 4.22 612 547 A 35 ILE H A 34 LYS HGx 1.0 1.8 4.22 613 548 A 35 ILE H A 35 ILE HG12 1.0 1.8 3.62 614 548 A 35 ILE H A 35 ILE HG13 1.0 1.8 3.62 615 549 A 36 ALA H A 51 ILE HG12 1.0 1.8 4.50 616 549 A 36 ALA H A 51 ILE HG13 1.0 1.8 4.50 617 550 A 37 LYS H A 37 LYS HGy 1.0 1.8 4.58 618 550 A 37 LYS H A 37 LYS HGx 1.0 1.8 4.58 619 551 A 49 HIS H A 37 LYS HBy 1.0 1.8 4.88 620 551 A 49 HIS H A 37 LYS HBx 1.0 1.8 4.88 621 552 A 49 HIS HD2 A 37 LYS HBy 1.0 1.8 4.29 622 552 A 49 HIS HD2 A 37 LYS HBx 1.0 1.8 4.29 623 553 A 38 ALA H A 37 LYS HGy 1.0 1.8 4.07 624 553 A 38 ALA H A 37 LYS HGx 1.0 1.8 4.07 625 554 A 49 HIS HD2 A 37 LYS HGy 1.0 1.8 5.08 626 554 A 49 HIS HD2 A 37 LYS HGx 1.0 1.8 5.08 627 555 A 38 ALA HA A 39 GLU HBy 1.0 1.8 4.41 628 555 A 38 ALA HA A 39 GLU HBx 1.0 1.8 4.41 629 556 A 47 ASN HD2y A 39 GLU HBx 1.0 1.8 4.53 630 556 A 47 ASN HD2y A 39 GLU HBy 1.0 1.8 4.53 631 556 A 47 ASN HD2x A 39 GLU HBx 1.0 1.8 4.53 632 556 A 47 ASN HD2x A 39 GLU HBy 1.0 1.8 4.53 633 557 A 40 ASN H A 40 ASN HBx 1.0 1.8 3.43 634 557 A 40 ASN H A 40 ASN HBy 1.0 1.8 3.43 635 558 A 41 PHE H A 41 PHE HBx 1.0 1.8 3.36 636 558 A 41 PHE H A 41 PHE HBy 1.0 1.8 3.36 637 559 A 42 LYS H A 41 PHE HBx 1.0 1.8 4.20 638 559 A 42 LYS H A 41 PHE HBy 1.0 1.8 4.20 639 560 A 41 PHE HD% A 42 LYS HBy 1.0 1.8 3.54 640 560 A 41 PHE HD% A 42 LYS HBx 1.0 1.8 3.54 641 561 A 41 PHE HE% A 42 LYS HBy 1.0 1.8 4.82 642 561 A 41 PHE HE% A 42 LYS HBx 1.0 1.8 4.82 643 562 A 41 PHE HE% A 45 TYR HBx 1.0 1.8 4.27 644 562 A 41 PHE HE% A 45 TYR HBy 1.0 1.8 4.27 645 563 A 42 LYS H A 45 TYR HBx 1.0 1.8 4.50 646 563 A 42 LYS H A 45 TYR HBy 1.0 1.8 4.50 647 564 A 43 ASP H A 42 LYS HBy 1.0 1.8 3.60 648 564 A 43 ASP H A 42 LYS HBx 1.0 1.8 3.60 649 565 A 45 TYR H A 45 TYR HBx 1.0 1.8 3.35 650 565 A 45 TYR H A 45 TYR HBy 1.0 1.8 3.35 651 566 A 46 CYS H A 45 TYR HBx 1.0 1.8 3.73 652 566 A 46 CYS H A 45 TYR HBy 1.0 1.8 3.73 653 567 A 47 ASN H A 47 ASN HD2y 1.0 1.8 5.21 654 567 A 47 ASN H A 47 ASN HD2x 1.0 1.8 5.21 655 568 A 47 ASN HBy A 47 ASN HD2y 1.0 1.8 3.59 656 568 A 47 ASN HBy A 47 ASN HD2x 1.0 1.8 3.59 657 569 A 47 ASN HBx A 47 ASN HD2y 1.0 1.8 3.36 658 569 A 47 ASN HBx A 47 ASN HD2x 1.0 1.8 3.36 659 570 A 47 ASN HD2y A 49 HIS HE1 1.0 1.8 4.25 660 570 A 47 ASN HD2x A 49 HIS HE1 1.0 1.8 4.25 661 571 A 51 ILE H A 50 ILE HG13 1.0 1.8 5.28 662 571 A 51 ILE H A 50 ILE HG12 1.0 1.8 5.28 663 572 A 51 ILE H A 51 ILE HG12 1.0 1.8 3.97 664 572 A 51 ILE H A 51 ILE HG13 1.0 1.8 3.97 665 573 A 51 ILE HA A 51 ILE HG12 1.0 1.8 3.64 666 573 A 51 ILE HA A 51 ILE HG13 1.0 1.8 3.64 667 574 A 52 ILE H A 52 ILE HG13 1.0 1.8 3.49 668 574 A 52 ILE H A 52 ILE HG12 1.0 1.8 3.49 669 575 A 52 ILE HA A 52 ILE HG13 1.0 1.8 3.68 670 575 A 52 ILE HA A 52 ILE HG12 1.0 1.8 3.68 671 576 A 53 HIS H A 52 ILE HG13 1.0 1.8 4.61 672 576 A 53 HIS H A 52 ILE HG12 1.0 1.8 4.61 673 577 A 53 HIS H A 53 HIS HBy 1.0 1.8 3.70 674 577 A 53 HIS H A 53 HIS HBx 1.0 1.8 3.70 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 3 THR H A 50 ILE O 1.0 0.0 2.0 2 2 A 50 ILE O A 3 THR N 1.0 0.0 3.0 3 3 A 5 GLU H A 48 CYS O 1.0 0.0 2.0 4 4 A 48 CYS O A 5 GLU N 1.0 0.0 3.0 5 5 A 7 ILE H A 46 CYS O 1.0 0.0 2.0 6 6 A 46 CYS O A 7 ILE N 1.0 0.0 3.0 7 7 A 20 LYS H A 16 GLU O 1.0 0.0 2.0 8 8 A 16 GLU O A 20 LYS N 1.0 0.0 3.0 9 9 A 21 LYS H A 17 GLY O 1.0 0.0 2.0 10 10 A 17 GLY O A 21 LYS N 1.0 0.0 3.0 11 11 A 22 ALA H A 18 GLU O 1.0 0.0 2.0 12 12 A 18 GLU O A 22 ALA N 1.0 0.0 3.0 13 13 A 23 CYS H A 19 CYS O 1.0 0.0 2.0 14 14 A 19 CYS O A 23 CYS N 1.0 0.0 3.0 15 15 A 24 ALA H A 20 LYS O 1.0 0.0 2.0 16 16 A 20 LYS O A 24 ALA N 1.0 0.0 3.0 17 17 A 25 ASP H A 21 LYS O 1.0 0.0 2.0 18 18 A 21 LYS O A 25 ASP N 1.0 0.0 3.0 19 19 A 26 ALA H A 22 ALA O 1.0 0.0 2.0 20 20 A 22 ALA O A 26 ALA N 1.0 0.0 3.0 21 21 A 27 PHE H A 24 ALA O 1.0 0.0 2.0 22 22 A 24 ALA O A 27 PHE N 1.0 0.0 3.0 23 23 A 28 ALA H A 24 ALA O 1.0 0.0 2.0 24 24 A 24 ALA O A 28 ALA N 1.0 0.0 3.0 25 25 A 36 ALA H A 49 HIS O 1.0 0.0 2.0 26 26 A 49 HIS O A 36 ALA N 1.0 0.0 3.0 27 27 A 39 GLU H A 47 ASN O 1.0 0.0 2.0 28 28 A 47 ASN O A 39 GLU N 1.0 0.0 3.0 29 29 A 44 TYR H A 12 LYS O 1.0 0.0 2.0 30 30 A 12 LYS O A 44 TYR N 1.0 0.0 3.0 31 31 A 45 TYR H A 42 LYS O 1.0 0.0 2.0 32 32 A 42 LYS O A 45 TYR N 1.0 0.0 3.0 33 33 A 46 CYS H A 7 ILE O 1.0 0.0 2.0 34 34 A 7 ILE O A 46 CYS N 1.0 0.0 3.0 35 35 A 47 ASN H A 39 GLU O 1.0 0.0 2.0 36 36 A 39 GLU O A 47 ASN N 1.0 0.0 3.0 37 37 A 48 CYS H A 5 GLU O 1.0 0.0 2.0 38 38 A 5 GLU O A 48 CYS N 1.0 0.0 3.0 39 39 A 49 HIS H A 37 LYS O 1.0 0.0 2.0 40 40 A 37 LYS O A 49 HIS N 1.0 0.0 3.0 41 41 A 50 ILE H A 3 THR O 1.0 0.0 2.0 42 42 A 3 THR O A 50 ILE N 1.0 0.0 3.0 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 GLU C A 2 GLU N A 2 GLU CA A 2 GLU C 1.0 -160.0 -80.0 PHI 2 2 A 2 GLU N A 2 GLU CA A 2 GLU C A 3 THR N 1.0 110.0 170.0 PSI 3 3 A 2 GLU C A 3 THR N A 3 THR CA A 3 THR C 1.0 -160.0 -80.0 PHI 4 4 A 3 THR N A 3 THR CA A 3 THR C A 4 GLU N 1.0 105.0 175.0 PSI 5 5 A 3 THR C A 4 GLU N A 4 GLU CA A 4 GLU C 1.0 -130.0 -60.0 PHI 6 6 A 4 GLU N A 4 GLU CA A 4 GLU C A 5 GLU N 1.0 90.0 170.0 PSI 7 7 A 4 GLU C A 5 GLU N A 5 GLU CA A 5 GLU C 1.0 -160.0 -40.0 PHI 8 8 A 5 GLU N A 5 GLU CA A 5 GLU C A 6 PRO N 1.0 100.0 180.0 PSI 9 9 A 6 PRO N A 6 PRO CA A 6 PRO C A 7 ILE N 1.0 110.0 170.0 PSI 10 10 A 6 PRO C A 7 ILE N A 7 ILE CA A 7 ILE C 1.0 -170.0 -90.0 PHI 11 11 A 7 ILE N A 7 ILE CA A 7 ILE C A 8 ARG N 1.0 110.0 170.0 PSI 12 12 A 7 ILE C A 8 ARG N A 8 ARG CA A 8 ARG C 1.0 -110.0 -50.0 PHI 13 13 A 8 ARG N A 8 ARG CA A 8 ARG C A 9 HIS N 1.0 100.0 160.0 PSI 14 14 A 8 ARG C A 9 HIS N A 9 HIS CA A 9 HIS C 1.0 -180.0 -80.0 PHI 15 15 A 9 HIS N A 9 HIS CA A 9 HIS C A 10 ALA N 1.0 110.0 170.0 PSI 16 16 A 9 HIS C A 10 ALA N A 10 ALA CA A 10 ALA C 1.0 -100.0 -40.0 PHI 17 17 A 11 LYS C A 12 LYS N A 12 LYS CA A 12 LYS C 1.0 -95.0 -35.0 PHI 18 18 A 12 LYS N A 12 LYS CA A 12 LYS C A 13 ASN N 1.0 -90.0 -30.0 PSI 19 19 A 12 LYS C A 13 ASN N A 13 ASN CA A 13 ASN C 1.0 -180.0 -60.0 PHI 20 20 A 13 ASN N A 13 ASN CA A 13 ASN C A 14 PRO N 1.0 30.0 170.0 PSI 21 21 A 14 PRO N A 14 PRO CA A 14 PRO C A 15 SER N 1.0 110.0 170.0 PSI 22 22 A 14 PRO C A 15 SER N A 15 SER CA A 15 SER C 1.0 -120.0 -40.0 PHI 23 23 A 15 SER N A 15 SER CA A 15 SER C A 16 GLU N 1.0 120.0 180.0 PSI 24 24 A 15 SER C A 16 GLU N A 16 GLU CA A 16 GLU C 1.0 -90.0 -30.0 PHI 25 25 A 16 GLU N A 16 GLU CA A 16 GLU C A 17 GLY N 1.0 -70.0 -10.0 PSI 26 26 A 16 GLU C A 17 GLY N A 17 GLY CA A 17 GLY C 1.0 -90.0 -30.0 PHI 27 27 A 17 GLY N A 17 GLY CA A 17 GLY C A 18 GLU N 1.0 -70.0 -10.0 PSI 28 28 A 17 GLY C A 18 GLU N A 18 GLU CA A 18 GLU C 1.0 -90.0 -30.0 PHI 29 29 A 18 GLU N A 18 GLU CA A 18 GLU C A 19 CYS N 1.0 -70.0 -10.0 PSI 30 30 A 18 GLU C A 19 CYS N A 19 CYS CA A 19 CYS C 1.0 -90.0 -30.0 PHI 31 31 A 19 CYS N A 19 CYS CA A 19 CYS C A 20 LYS N 1.0 -70.0 -10.0 PSI 32 32 A 19 CYS C A 20 LYS N A 20 LYS CA A 20 LYS C 1.0 -90.0 -30.0 PHI 33 33 A 20 LYS N A 20 LYS CA A 20 LYS C A 21 LYS N 1.0 -70.0 -10.0 PSI 34 34 A 20 LYS C A 21 LYS N A 21 LYS CA A 21 LYS C 1.0 -90.0 -30.0 PHI 35 35 A 21 LYS N A 21 LYS CA A 21 LYS C A 22 ALA N 1.0 -70.0 -10.0 PSI 36 36 A 21 LYS C A 22 ALA N A 22 ALA CA A 22 ALA C 1.0 -90.0 -30.0 PHI 37 37 A 22 ALA N A 22 ALA CA A 22 ALA C A 23 CYS N 1.0 -70.0 -10.0 PSI 38 38 A 22 ALA C A 23 CYS N A 23 CYS CA A 23 CYS C 1.0 -90.0 -30.0 PHI 39 39 A 23 CYS N A 23 CYS CA A 23 CYS C A 24 ALA N 1.0 -70.0 -10.0 PSI 40 40 A 23 CYS C A 24 ALA N A 24 ALA CA A 24 ALA C 1.0 -90.0 -30.0 PHI 41 41 A 24 ALA N A 24 ALA CA A 24 ALA C A 25 ASP N 1.0 -70.0 -10.0 PSI 42 42 A 24 ALA C A 25 ASP N A 25 ASP CA A 25 ASP C 1.0 -90.0 -30.0 PHI 43 43 A 25 ASP N A 25 ASP CA A 25 ASP C A 26 ALA N 1.0 -70.0 -10.0 PSI 44 44 A 25 ASP C A 26 ALA N A 26 ALA CA A 26 ALA C 1.0 -100.0 -40.0 PHI 45 45 A 26 ALA N A 26 ALA CA A 26 ALA C A 27 PHE N 1.0 -60.0 0.0 PSI 46 46 A 26 ALA C A 27 PHE N A 27 PHE CA A 27 PHE C 1.0 -140.0 -60.0 PHI 47 47 A 27 PHE C A 28 ALA N A 28 ALA CA A 28 ALA C 1.0 -160.0 -40.0 PHI 48 48 A 28 ALA C A 29 ASN N A 29 ASN CA A 29 ASN C 1.0 30.0 90.0 PHI 49 49 A 29 ASN N A 29 ASN CA A 29 ASN C A 30 GLY N 1.0 0.0 80.0 PSI 50 50 A 30 GLY C A 31 ASP N A 31 ASP CA A 31 ASP C 1.0 -110.0 -30.0 PHI 51 51 A 31 ASP N A 31 ASP CA A 31 ASP C A 32 GLN N 1.0 70.0 170.0 PSI 52 52 A 31 ASP C A 32 GLN N A 32 GLN CA A 32 GLN C 1.0 -100.0 -20.0 PHI 53 53 A 32 GLN C A 33 SER N A 33 SER CA A 33 SER C 1.0 -95.0 -35.0 PHI 54 54 A 33 SER N A 33 SER CA A 33 SER C A 34 LYS N 1.0 -60.0 0.0 PSI 55 55 A 33 SER C A 34 LYS N A 34 LYS CA A 34 LYS C 1.0 -120.0 -60.0 PHI 56 56 A 34 LYS N A 34 LYS CA A 34 LYS C A 35 ILE N 1.0 -40.0 20.0 PSI 57 57 A 34 LYS C A 35 ILE N A 35 ILE CA A 35 ILE C 1.0 -120.0 -40.0 PHI 58 58 A 35 ILE N A 35 ILE CA A 35 ILE C A 36 ALA N 1.0 60.0 160.0 PSI 59 59 A 35 ILE C A 36 ALA N A 36 ALA CA A 36 ALA C 1.0 -100.0 -40.0 PHI 60 60 A 36 ALA N A 36 ALA CA A 36 ALA C A 37 LYS N 1.0 -60.0 0.0 PSI 61 61 A 37 LYS C A 38 ALA N A 38 ALA CA A 38 ALA C 1.0 -170.0 -110.0 PHI 62 62 A 38 ALA N A 38 ALA CA A 38 ALA C A 39 GLU N 1.0 120.0 180.0 PSI 63 63 A 38 ALA C A 39 GLU N A 39 GLU CA A 39 GLU C 1.0 -170.0 -110.0 PHI 64 64 A 39 GLU N A 39 GLU CA A 39 GLU C A 40 ASN N 1.0 110.0 170.0 PSI 65 65 A 39 GLU C A 40 ASN N A 40 ASN CA A 40 ASN C 1.0 -125.0 -65.0 PHI 66 66 A 40 ASN N A 40 ASN CA A 40 ASN C A 41 PHE N 1.0 90.0 150.0 PSI 67 67 A 40 ASN C A 41 PHE N A 41 PHE CA A 41 PHE C 1.0 -140.0 -40.0 PHI 68 68 A 41 PHE C A 42 LYS N A 42 LYS CA A 42 LYS C 1.0 -180.0 -60.0 PHI 69 69 A 43 ASP C A 44 TYR N A 44 TYR CA A 44 TYR C 1.0 35.0 95.0 PHI 70 70 A 44 TYR N A 44 TYR CA A 44 TYR C A 45 TYR N 1.0 -5.0 65.0 PSI 71 71 A 44 TYR C A 45 TYR N A 45 TYR CA A 45 TYR C 1.0 -160.0 -100.0 PHI 72 72 A 45 TYR N A 45 TYR CA A 45 TYR C A 46 CYS N 1.0 120.0 180.0 PSI 73 73 A 45 TYR C A 46 CYS N A 46 CYS CA A 46 CYS C 1.0 -140.0 -80.0 PHI 74 74 A 46 CYS N A 46 CYS CA A 46 CYS C A 47 ASN N 1.0 100.0 160.0 PSI 75 75 A 46 CYS C A 47 ASN N A 47 ASN CA A 47 ASN C 1.0 -140.0 -80.0 PHI 76 76 A 47 ASN N A 47 ASN CA A 47 ASN C A 48 CYS N 1.0 100.0 160.0 PSI 77 77 A 47 ASN C A 48 CYS N A 48 CYS CA A 48 CYS C 1.0 -130.0 -50.0 PHI 78 78 A 48 CYS N A 48 CYS CA A 48 CYS C A 49 HIS N 1.0 100.0 160.0 PSI 79 79 A 48 CYS C A 49 HIS N A 49 HIS CA A 49 HIS C 1.0 -110.0 -50.0 PHI 80 80 A 49 HIS C A 50 ILE N A 50 ILE CA A 50 ILE C 1.0 -140.0 -60.0 PHI 81 81 A 50 ILE N A 50 ILE CA A 50 ILE C A 51 ILE N 1.0 100.0 160.0 PSI 82 82 A 2 GLU N A 2 GLU CA A 2 GLU CB A 2 GLU CG 1.0 -210.0 -30.0 CHI1 83 83 A 4 GLU N A 4 GLU CA A 4 GLU CB A 4 GLU CG 1.0 -90.0 -30.0 CHI1 84 84 A 5 GLU N A 5 GLU CA A 5 GLU CB A 5 GLU CG 1.0 -210.0 -30.0 CHI1 85 85 A 8 ARG N A 8 ARG CA A 8 ARG CB A 8 ARG CG 1.0 -90.0 -30.0 CHI1 86 86 A 13 ASN N A 13 ASN CA A 13 ASN CB A 13 ASN CG 1.0 -210.0 -30.0 CHI1 87 87 A 19 CYS N A 19 CYS CA A 19 CYS CB A 19 CYS SG 1.0 -90.0 -30.0 CHI1 88 88 A 23 CYS N A 23 CYS CA A 23 CYS CB A 23 CYS SG 1.0 -90.0 -30.0 CHI1 89 89 A 27 PHE N A 27 PHE CA A 27 PHE CB A 27 PHE CG 1.0 -90.0 -30.0 CHI1 90 90 A 29 ASN N A 29 ASN CA A 29 ASN CB A 29 ASN CG 1.0 -90.0 -30.0 CHI1 91 91 A 31 ASP N A 31 ASP CA A 31 ASP CB A 31 ASP CG 1.0 150.0 210.0 CHI1 92 92 A 32 GLN N A 32 GLN CA A 32 GLN CB A 32 GLN CG 1.0 -90.0 -30.0 CHI1 93 93 A 34 LYS N A 34 LYS CA A 34 LYS CB A 34 LYS CG 1.0 -210.0 -30.0 CHI1 94 94 A 39 GLU N A 39 GLU CA A 39 GLU CB A 39 GLU CG 1.0 -210.0 -30.0 CHI1 95 95 A 40 ASN N A 40 ASN CA A 40 ASN CB A 40 ASN CG 1.0 150.0 210.0 CHI1 96 96 A 41 PHE N A 41 PHE CA A 41 PHE CB A 41 PHE CG 1.0 150.0 210.0 CHI1 97 97 A 43 ASP N A 43 ASP CA A 43 ASP CB A 43 ASP CG 1.0 -90.0 -30.0 CHI1 98 98 A 44 TYR N A 44 TYR CA A 44 TYR CB A 44 TYR CG 1.0 -90.0 -30.0 CHI1 99 99 A 45 TYR N A 45 TYR CA A 45 TYR CB A 45 TYR CG 1.0 -90.0 -30.0 CHI1 100 100 A 46 CYS N A 46 CYS CA A 46 CYS CB A 46 CYS SG 1.0 -210.0 -30.0 CHI1 101 101 A 47 ASN N A 47 ASN CA A 47 ASN CB A 47 ASN CG 1.0 150.0 210.0 CHI1 102 102 A 48 CYS N A 48 CYS CA A 48 CYS CB A 48 CYS SG 1.0 -90.0 -30.0 CHI1 103 103 A 49 HIS N A 49 HIS CA A 49 HIS CB A 49 HIS CG 1.0 -90.0 -30.0 CHI1 stop_ save_