data_nef_c19542_2mfa 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 2mfa 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 3 CYS SG 1 19 CYS SG 1 12 CYS SG 1 37 CYS SG 1 41 CYS SG 1 49 CYS SG 1 50 CYS SG 1 55 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 LEU start . . 2 A 2 LYS middle . . 3 A 3 CYS middle -HG . 4 A 4 PHE middle . . 5 A 5 GLN middle . . 6 A 6 HIS middle . . 7 A 7 GLY middle . false 8 A 8 LYS middle . . 9 A 9 VAL middle . . 10 A 10 VAL middle . . 11 A 11 THR middle . . 12 A 12 CYS middle -HG . 13 A 13 HIS middle . . 14 A 14 ARG middle . . 15 A 15 ASP middle . . 16 A 16 MET middle . . 17 A 17 LYS middle . . 18 A 18 PHE middle . . 19 A 19 CYS middle -HG . 20 A 20 TYR middle . . 21 A 21 HIS middle . . 22 A 22 ASN middle . . 23 A 23 THR middle . . 24 A 24 GLY middle . false 25 A 25 MET middle . . 26 A 26 PRO middle . false 27 A 27 PHE middle . . 28 A 28 ARG middle . . 29 A 29 ASN middle . . 30 A 30 LEU middle . . 31 A 31 LYS middle . . 32 A 32 LEU middle . . 33 A 33 ILE middle . . 34 A 34 LEU middle . . 35 A 35 GLN middle . . 36 A 36 GLY middle . false 37 A 37 CYS middle -HG . 38 A 38 SER middle . . 39 A 39 SER middle . . 40 A 40 SER middle . . 41 A 41 CYS middle -HG . 42 A 42 SER middle . . 43 A 43 GLU middle . . 44 A 44 THR middle . . 45 A 45 GLU middle . . 46 A 46 ASN middle . . 47 A 47 ASN middle . . 48 A 48 LYS middle . . 49 A 49 CYS middle -HG . 50 A 50 CYS middle -HG . 51 A 51 SER middle . . 52 A 52 THR middle . . 53 A 53 ASP middle . . 54 A 54 ARG middle . . 55 A 55 CYS middle -HG . 56 A 56 ASN middle . . 57 A 57 LYS end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 LEU HA H 1 4.114 0.009 A 1 LEU HB2 H 1 1.463 0.002 A 1 LEU HB3 H 1 1.463 0.002 A 1 LEU HD1% H 1 0.701 0.008 A 1 LEU HD2% H 1 0.647 0.004 A 1 LEU HG H 1 0.695 0.001 A 1 LEU CA C 13 54.591 0.000 A 1 LEU CB C 13 43.046 0.000 A 1 LEU CD2 C 13 25.678 0.000 A 1 LEU CG C 13 21.119 0.000 A 2 LYS H H 1 8.381 0.008 A 2 LYS HA H 1 5.390 0.004 A 2 LYS HB2 H 1 1.335 0.005 A 2 LYS HB3 H 1 1.373 0.003 A 2 LYS HG2 H 1 1.200 0.007 A 2 LYS HG3 H 1 1.253 0.003 A 2 LYS CA C 13 54.402 0.000 A 2 LYS CB C 13 29.734 0.009 A 2 LYS CG C 13 24.788 0.010 A 2 LYS N N 15 126.352 0.000 A 3 CYS H H 1 8.394 0.005 A 3 CYS HA H 1 4.959 0.002 A 3 CYS HB2 H 1 2.908 0.005 A 3 CYS HB3 H 1 2.363 0.008 A 3 CYS CA C 13 51.272 0.000 A 3 CYS CB C 13 42.039 0.000 A 3 CYS N N 15 117.974 0.000 A 4 PHE H H 1 9.550 0.000 A 4 PHE HA H 1 4.606 0.003 A 4 PHE HB2 H 1 2.552 0.004 A 4 PHE HB3 H 1 2.436 0.008 A 4 PHE HD1 H 1 6.768 0.003 A 4 PHE HD2 H 1 6.768 0.003 A 4 PHE HE1 H 1 7.321 0.002 A 4 PHE HE2 H 1 7.321 0.002 A 4 PHE CB C 13 39.719 0.000 A 4 PHE N N 15 120.016 0.000 A 5 GLN H H 1 9.406 0.002 A 5 GLN HA H 1 4.422 0.003 A 5 GLN HB2 H 1 1.813 0.003 A 5 GLN HB3 H 1 2.018 0.003 A 5 GLN HE21 H 1 6.928 0.003 A 5 GLN HE22 H 1 7.645 0.001 A 5 GLN HG2 H 1 2.520 0.005 A 5 GLN HG3 H 1 2.520 0.005 A 5 GLN CA C 13 56.003 0.000 A 5 GLN CB C 13 32.594 0.015 A 5 GLN CG C 13 34.133 0.000 A 5 GLN N N 15 120.517 0.000 A 5 GLN NE2 N 15 111.706 0.000 A 6 HIS H H 1 8.827 0.001 A 6 HIS HA H 1 4.478 0.002 A 6 HIS HB2 H 1 3.244 0.002 A 6 HIS HB3 H 1 3.717 0.005 A 6 HIS HD2 H 1 7.400 0.005 A 6 HIS HE1 H 1 8.662 0.000 A 6 HIS CA C 13 56.627 0.000 A 6 HIS CB C 13 27.976 0.052 A 6 HIS N N 15 118.478 6.169 A 7 GLY H H 1 8.440 0.003 A 7 GLY HA2 H 1 4.271 0.007 A 7 GLY HA3 H 1 3.721 0.003 A 7 GLY CA C 13 45.924 0.020 A 7 GLY N N 15 103.072 0.000 A 8 LYS H H 1 7.703 0.000 A 8 LYS HA H 1 4.828 0.011 A 8 LYS HB2 H 1 1.779 0.003 A 8 LYS HB3 H 1 1.894 0.000 A 8 LYS HG2 H 1 1.482 0.001 A 8 LYS HG3 H 1 1.482 0.001 A 8 LYS CB C 13 35.493 0.013 A 8 LYS CG C 13 29.074 0.000 A 8 LYS N N 15 119.909 0.000 A 9 VAL H H 1 8.552 0.004 A 9 VAL HA H 1 3.812 0.004 A 9 VAL HB H 1 1.689 0.009 A 9 VAL HG1% H 1 0.473 0.003 A 9 VAL HG2% H 1 0.233 0.003 A 9 VAL CA C 13 63.286 0.000 A 9 VAL CB C 13 26.812 0.000 A 9 VAL CG1 C 13 22.270 0.000 A 9 VAL CG2 C 13 22.207 0.000 A 9 VAL N N 15 122.232 0.000 A 10 VAL H H 1 8.920 0.005 A 10 VAL HA H 1 4.606 0.002 A 10 VAL HB H 1 2.070 0.001 A 10 VAL HG1% H 1 0.882 0.003 A 10 VAL HG2% H 1 0.740 0.005 A 10 VAL CA C 13 60.392 0.000 A 10 VAL CB C 13 34.782 0.000 A 10 VAL CG1 C 13 21.356 0.000 A 10 VAL CG2 C 13 19.025 0.000 A 10 VAL N N 15 123.963 0.000 A 11 THR H H 1 8.517 0.001 A 11 THR HA H 1 4.443 0.003 A 11 THR HB H 1 3.990 0.002 A 11 THR HG2% H 1 1.190 0.006 A 11 THR CA C 13 62.719 0.000 A 11 THR CB C 13 68.689 0.000 A 11 THR CG2 C 13 24.477 0.000 A 11 THR N N 15 118.572 0.000 A 12 CYS H H 1 8.970 0.003 A 12 CYS HA H 1 4.671 0.008 A 12 CYS HB2 H 1 3.271 0.006 A 12 CYS HB3 H 1 2.799 0.004 A 12 CYS CA C 13 53.036 0.000 A 12 CYS CB C 13 38.892 0.000 A 12 CYS N N 15 126.835 0.000 A 13 HIS H H 1 9.015 0.004 A 13 HIS HA H 1 4.649 0.006 A 13 HIS HB2 H 1 3.473 0.003 A 13 HIS HB3 H 1 3.246 0.007 A 13 HIS HD2 H 1 7.455 0.002 A 13 HIS HE1 H 1 8.628 0.000 A 13 HIS CB C 13 29.498 0.031 A 13 HIS N N 15 121.091 0.000 A 14 ARG H H 1 8.689 0.006 A 14 ARG HA H 1 4.043 0.003 A 14 ARG HB2 H 1 1.880 0.003 A 14 ARG HB3 H 1 1.880 0.003 A 14 ARG HD2 H 1 3.217 0.003 A 14 ARG HD3 H 1 3.217 0.003 A 14 ARG HE H 1 7.215 0.000 A 14 ARG HG2 H 1 1.661 0.005 A 14 ARG HG3 H 1 1.661 0.005 A 14 ARG CA C 13 58.962 0.000 A 14 ARG CB C 13 30.014 0.000 A 14 ARG CG C 13 26.836 0.000 A 14 ARG N N 15 120.872 0.000 A 15 ASP H H 1 8.907 0.003 A 15 ASP HA H 1 4.503 0.000 A 15 ASP HB2 H 1 2.796 0.008 A 15 ASP HB3 H 1 2.957 0.006 A 15 ASP CA C 13 54.306 0.000 A 15 ASP CB C 13 39.107 0.012 A 15 ASP N N 15 121.233 0.000 A 16 MET H H 1 7.811 0.000 A 16 MET HA H 1 4.415 0.005 A 16 MET HB2 H 1 1.767 0.000 A 16 MET HB3 H 1 2.306 0.000 A 16 MET HE% H 1 2.162 0.000 A 16 MET HG2 H 1 2.398 0.000 A 16 MET HG3 H 1 2.804 0.000 A 16 MET CA C 13 55.995 0.000 A 16 MET CB C 13 32.662 0.074 A 16 MET CG C 13 32.741 0.004 A 16 MET N N 15 119.073 0.000 A 17 LYS H H 1 7.763 0.001 A 17 LYS HA H 1 4.267 0.006 A 17 LYS HB2 H 1 1.207 0.007 A 17 LYS HB3 H 1 1.408 0.005 A 17 LYS HD2 H 1 1.539 0.008 A 17 LYS HD3 H 1 1.539 0.008 A 17 LYS HG2 H 1 1.600 0.005 A 17 LYS HG3 H 1 1.600 0.005 A 17 LYS CA C 13 55.889 0.000 A 17 LYS CB C 13 34.106 0.000 A 17 LYS CD C 13 29.405 0.000 A 17 LYS CG C 13 27.791 0.000 A 17 LYS N N 15 120.187 0.000 A 18 PHE H H 1 8.252 0.000 A 18 PHE HA H 1 5.113 0.006 A 18 PHE HB2 H 1 3.156 0.000 A 18 PHE HB3 H 1 2.762 0.000 A 18 PHE HD1 H 1 6.956 0.005 A 18 PHE HD2 H 1 6.956 0.005 A 18 PHE HE1 H 1 7.390 0.004 A 18 PHE HE2 H 1 7.390 0.004 A 18 PHE CA C 13 56.971 0.000 A 18 PHE CB C 13 43.018 0.027 A 18 PHE N N 15 115.631 0.000 A 19 CYS H H 1 9.343 0.001 A 19 CYS HA H 1 6.002 0.004 A 19 CYS HB2 H 1 3.140 0.004 A 19 CYS HB3 H 1 2.972 0.006 A 19 CYS CA C 13 52.258 0.000 A 19 CYS CB C 13 38.627 0.007 A 19 CYS N N 15 115.508 0.000 A 20 TYR H H 1 8.871 0.002 A 20 TYR HA H 1 6.207 0.003 A 20 TYR HB2 H 1 3.363 0.002 A 20 TYR HB3 H 1 2.959 0.006 A 20 TYR HD1 H 1 6.868 0.005 A 20 TYR HD2 H 1 6.868 0.005 A 20 TYR HE1 H 1 6.613 0.002 A 20 TYR HE2 H 1 6.613 0.002 A 20 TYR CA C 13 55.701 0.000 A 20 TYR CB C 13 43.184 0.008 A 20 TYR N N 15 128.934 0.000 A 21 HIS H H 1 8.797 0.001 A 21 HIS HA H 1 5.283 0.005 A 21 HIS HB2 H 1 3.383 0.008 A 21 HIS HB3 H 1 3.072 0.003 A 21 HIS HD2 H 1 7.212 0.004 A 21 HIS HE1 H 1 8.590 0.000 A 21 HIS CA C 13 54.713 0.000 A 21 HIS CB C 13 31.719 0.000 A 21 HIS N N 15 122.079 0.000 A 22 ASN H H 1 9.823 0.005 A 22 ASN HA H 1 5.846 0.004 A 22 ASN HB2 H 1 3.070 0.003 A 22 ASN HB3 H 1 3.163 0.006 A 22 ASN HD21 H 1 7.523 0.002 A 22 ASN HD22 H 1 6.738 0.001 A 22 ASN CA C 13 52.512 0.000 A 22 ASN CB C 13 40.821 0.008 A 22 ASN N N 15 128.444 0.000 A 22 ASN ND2 N 15 110.990 0.003 A 23 THR H H 1 8.561 0.001 A 23 THR HA H 1 4.604 0.004 A 23 THR HB H 1 4.379 0.002 A 23 THR HG2% H 1 1.042 0.003 A 23 THR CA C 13 57.003 0.000 A 23 THR CB C 13 69.344 0.000 A 23 THR CG2 C 13 21.353 0.000 A 23 THR N N 15 116.691 0.000 A 24 GLY H H 1 8.608 0.001 A 24 GLY HA2 H 1 3.901 0.001 A 24 GLY HA3 H 1 4.108 0.005 A 24 GLY CA C 13 44.993 0.007 A 24 GLY N N 15 110.763 0.000 A 25 MET H H 1 8.418 0.001 A 25 MET HA H 1 4.818 0.000 A 25 MET HB2 H 1 1.931 0.003 A 25 MET HB3 H 1 2.020 0.000 A 25 MET HE% H 1 2.124 0.004 A 25 MET HG2 H 1 2.558 0.000 A 25 MET HG3 H 1 2.615 0.000 A 25 MET CA C 13 53.892 0.000 A 25 MET CB C 13 32.399 0.000 A 25 MET CG C 13 32.140 0.000 A 25 MET N N 15 120.520 0.000 A 26 PRO HA H 1 4.377 0.006 A 26 PRO HB2 H 1 2.131 0.005 A 26 PRO HB3 H 1 1.746 0.004 A 26 PRO HD2 H 1 3.714 0.005 A 26 PRO HD3 H 1 3.776 0.001 A 26 PRO HG2 H 1 1.972 0.003 A 26 PRO HG3 H 1 1.972 0.003 A 26 PRO CA C 13 63.841 0.000 A 26 PRO CB C 13 31.750 0.033 A 26 PRO CG C 13 27.520 0.000 A 27 PHE H H 1 7.988 0.002 A 27 PHE HA H 1 4.625 0.000 A 27 PHE HB2 H 1 3.178 0.009 A 27 PHE HB3 H 1 3.070 0.002 A 27 PHE HD1 H 1 7.284 0.004 A 27 PHE HD2 H 1 7.284 0.004 A 27 PHE HE1 H 1 7.382 0.006 A 27 PHE HE2 H 1 7.382 0.006 A 27 PHE HZ H 1 7.326 0.000 A 27 PHE CA C 13 57.332 0.000 A 27 PHE CB C 13 39.701 0.000 A 27 PHE N N 15 118.056 0.000 A 28 ARG H H 1 8.333 0.004 A 28 ARG HA H 1 4.059 0.005 A 28 ARG HB2 H 1 1.747 0.001 A 28 ARG HB3 H 1 1.812 0.008 A 28 ARG HD2 H 1 3.148 0.005 A 28 ARG HD3 H 1 3.148 0.005 A 28 ARG HE H 1 7.149 0.000 A 28 ARG HG2 H 1 1.395 0.004 A 28 ARG HG3 H 1 1.460 0.004 A 28 ARG CA C 13 57.142 0.000 A 28 ARG CB C 13 29.711 0.000 A 28 ARG CG C 13 27.105 0.000 A 28 ARG N N 15 121.294 0.000 A 29 ASN H H 1 8.356 0.000 A 29 ASN HA H 1 4.596 0.004 A 29 ASN HB2 H 1 2.889 0.002 A 29 ASN HB3 H 1 2.889 0.002 A 29 ASN HD21 H 1 6.923 0.002 A 29 ASN HD22 H 1 7.598 0.001 A 29 ASN CA C 13 53.795 0.000 A 29 ASN CB C 13 38.239 0.000 A 29 ASN N N 15 116.243 0.000 A 29 ASN ND2 N 15 112.805 0.000 A 30 LEU H H 1 8.028 0.001 A 30 LEU HA H 1 4.445 0.011 A 30 LEU HB2 H 1 1.642 0.001 A 30 LEU HB3 H 1 1.713 0.010 A 30 LEU HD1% H 1 0.905 0.003 A 30 LEU HD2% H 1 0.905 0.003 A 30 LEU HG H 1 0.960 0.002 A 30 LEU CA C 13 55.203 0.000 A 30 LEU CB C 13 42.982 0.018 A 30 LEU CD1 C 13 24.739 0.000 A 30 LEU CG C 13 24.947 0.000 A 30 LEU N N 15 121.660 0.000 A 31 LYS H H 1 8.306 0.000 A 31 LYS HA H 1 4.378 0.001 A 31 LYS HB2 H 1 1.782 0.004 A 31 LYS HB3 H 1 1.782 0.004 A 31 LYS HD2 H 1 1.681 0.001 A 31 LYS HD3 H 1 1.681 0.001 A 31 LYS HG2 H 1 1.342 0.001 A 31 LYS HG3 H 1 1.435 0.001 A 31 LYS CA C 13 56.271 0.000 A 31 LYS CB C 13 32.230 0.000 A 31 LYS CD C 13 29.122 0.000 A 31 LYS CG C 13 25.033 0.017 A 31 LYS N N 15 120.928 0.000 A 32 LEU H H 1 8.027 0.000 A 32 LEU HA H 1 4.446 0.010 A 32 LEU HB2 H 1 1.533 0.001 A 32 LEU HB3 H 1 1.533 0.001 A 32 LEU HD1% H 1 0.914 0.000 A 32 LEU HD2% H 1 0.866 0.001 A 32 LEU HG H 1 1.715 0.000 A 32 LEU CA C 13 54.484 0.000 A 32 LEU CB C 13 43.404 0.000 A 32 LEU CD1 C 13 23.644 0.000 A 32 LEU CD2 C 13 23.644 0.000 A 32 LEU CG C 13 28.603 0.000 A 32 LEU N N 15 122.843 0.000 A 33 ILE H H 1 8.327 0.003 A 33 ILE HA H 1 4.383 0.001 A 33 ILE HB H 1 1.810 0.003 A 33 ILE HD1% H 1 0.643 0.005 A 33 ILE HG12 H 1 1.143 0.004 A 33 ILE HG13 H 1 1.143 0.004 A 33 ILE HG2% H 1 0.826 0.004 A 33 ILE CA C 13 60.595 0.000 A 33 ILE CB C 13 38.303 0.000 A 33 ILE CD1 C 13 17.557 0.000 A 33 ILE CG1 C 13 27.514 0.000 A 33 ILE CG2 C 13 12.811 0.000 A 33 ILE N N 15 123.311 0.000 A 34 LEU H H 1 8.880 0.004 A 34 LEU HA H 1 4.794 0.005 A 34 LEU HB2 H 1 1.914 0.009 A 34 LEU HB3 H 1 1.914 0.009 A 34 LEU HD1% H 1 0.954 0.005 A 34 LEU HD2% H 1 0.954 0.005 A 34 LEU HG H 1 1.719 0.004 A 34 LEU CB C 13 42.873 0.000 A 34 LEU CD1 C 13 23.252 0.000 A 34 LEU CG C 13 31.299 0.000 A 34 LEU N N 15 128.669 0.000 A 35 GLN H H 1 8.210 0.004 A 35 GLN HA H 1 4.588 0.005 A 35 GLN HB2 H 1 1.749 0.009 A 35 GLN HB3 H 1 2.009 0.007 A 35 GLN HE21 H 1 6.828 0.003 A 35 GLN HE22 H 1 7.399 0.004 A 35 GLN HG2 H 1 1.910 0.004 A 35 GLN HG3 H 1 2.234 0.003 A 35 GLN CA C 13 61.390 0.000 A 35 GLN CB C 13 33.866 0.030 A 35 GLN CG C 13 34.349 0.028 A 35 GLN N N 15 121.600 0.000 A 36 GLY H H 1 6.121 0.003 A 36 GLY HA2 H 1 4.032 0.006 A 36 GLY HA3 H 1 4.032 0.006 A 36 GLY CA C 13 45.878 0.000 A 36 GLY N N 15 106.726 0.000 A 37 CYS H H 1 8.505 0.003 A 37 CYS HA H 1 5.874 0.005 A 37 CYS HB2 H 1 2.829 0.001 A 37 CYS HB3 H 1 3.454 0.002 A 37 CYS CA C 13 55.955 0.000 A 37 CYS CB C 13 48.202 0.015 A 37 CYS N N 15 124.584 0.000 A 38 SER H H 1 9.749 0.002 A 38 SER HA H 1 4.980 0.009 A 38 SER HB2 H 1 3.808 0.006 A 38 SER HB3 H 1 4.155 0.004 A 38 SER CA C 13 58.792 0.000 A 38 SER CB C 13 65.971 0.018 A 38 SER N N 15 115.036 0.000 A 39 SER H H 1 9.161 0.002 A 39 SER HA H 1 4.827 0.008 A 39 SER HB2 H 1 4.021 0.002 A 39 SER HB3 H 1 4.147 0.005 A 39 SER CA C 13 60.040 0.000 A 39 SER CB C 13 63.784 0.000 A 39 SER N N 15 117.276 0.000 A 40 SER H H 1 7.911 0.002 A 40 SER HA H 1 4.660 0.007 A 40 SER HB2 H 1 3.729 0.002 A 40 SER HB3 H 1 3.729 0.002 A 40 SER CA C 13 55.868 0.000 A 40 SER CB C 13 64.868 0.000 A 40 SER N N 15 115.041 0.000 A 41 CYS H H 1 8.067 0.001 A 41 CYS HA H 1 4.309 0.003 A 41 CYS HB2 H 1 1.780 0.003 A 41 CYS HB3 H 1 2.115 0.003 A 41 CYS CA C 13 57.567 0.000 A 41 CYS CB C 13 40.000 0.000 A 41 CYS N N 15 124.146 0.000 A 42 SER H H 1 8.491 0.007 A 42 SER HA H 1 4.611 0.000 A 42 SER HB2 H 1 3.719 0.003 A 42 SER HB3 H 1 3.586 0.003 A 42 SER CA C 13 59.020 0.000 A 42 SER CB C 13 64.112 0.000 A 42 SER N N 15 118.590 0.000 A 43 GLU H H 1 8.861 0.001 A 43 GLU HA H 1 4.649 0.003 A 43 GLU HB2 H 1 2.075 0.007 A 43 GLU HB3 H 1 2.075 0.007 A 43 GLU HG2 H 1 2.375 0.006 A 43 GLU HG3 H 1 2.546 0.003 A 43 GLU CA C 13 56.856 0.000 A 43 GLU CB C 13 29.206 0.000 A 43 GLU CG C 13 35.183 0.013 A 43 GLU N N 15 118.830 0.000 A 44 THR H H 1 9.030 0.005 A 44 THR HA H 1 4.619 0.007 A 44 THR HB H 1 4.751 0.006 A 44 THR HG2% H 1 1.183 0.006 A 44 THR CB C 13 72.341 0.000 A 44 THR CG2 C 13 21.709 0.000 A 44 THR N N 15 117.954 0.000 A 45 GLU H H 1 8.837 0.002 A 45 GLU HA H 1 4.094 0.002 A 45 GLU HB2 H 1 2.097 0.006 A 45 GLU HB3 H 1 2.097 0.006 A 45 GLU HG2 H 1 2.430 0.001 A 45 GLU HG3 H 1 2.430 0.001 A 45 GLU CA C 13 58.934 0.000 A 45 GLU CB C 13 27.009 0.000 A 45 GLU N N 15 127.100 0.000 A 46 ASN H H 1 8.018 0.000 A 46 ASN HA H 1 4.902 0.003 A 46 ASN HB2 H 1 2.729 0.001 A 46 ASN HB3 H 1 3.030 0.006 A 46 ASN HD21 H 1 6.967 0.002 A 46 ASN HD22 H 1 7.551 0.001 A 46 ASN CA C 13 53.244 0.000 A 46 ASN CB C 13 40.053 0.015 A 46 ASN ND2 N 15 112.802 0.000 A 47 ASN H H 1 7.835 0.002 A 47 ASN HA H 1 5.362 0.004 A 47 ASN HB2 H 1 3.035 0.008 A 47 ASN HB3 H 1 2.397 0.004 A 47 ASN HD21 H 1 5.818 0.004 A 47 ASN HD22 H 1 7.220 0.002 A 47 ASN CA C 13 53.979 0.000 A 47 ASN CB C 13 41.749 0.000 A 47 ASN N N 15 120.765 0.000 A 48 LYS H H 1 8.548 0.002 A 48 LYS HA H 1 4.842 0.000 A 48 LYS HB2 H 1 1.809 0.002 A 48 LYS HB3 H 1 1.900 0.001 A 48 LYS HG2 H 1 1.403 0.001 A 48 LYS HG3 H 1 1.526 0.006 A 48 LYS CB C 13 34.398 0.018 A 48 LYS CG C 13 24.572 0.017 A 48 LYS N N 15 123.576 0.000 A 49 CYS H H 1 8.873 0.000 A 49 CYS HA H 1 5.553 0.006 A 49 CYS HB2 H 1 2.908 0.005 A 49 CYS HB3 H 1 2.908 0.005 A 49 CYS CA C 13 53.386 0.000 A 49 CYS CB C 13 44.935 0.000 A 49 CYS N N 15 116.141 0.000 A 50 CYS H H 1 9.389 0.001 A 50 CYS HA H 1 5.265 0.006 A 50 CYS HB2 H 1 3.747 0.000 A 50 CYS HB3 H 1 3.694 0.005 A 50 CYS CA C 13 55.983 0.000 A 50 CYS CB C 13 46.111 0.000 A 50 CYS N N 15 118.484 0.000 A 51 SER H H 1 9.290 0.000 A 51 SER HA H 1 5.016 0.004 A 51 SER HB2 H 1 3.947 0.008 A 51 SER HB3 H 1 3.947 0.008 A 51 SER CA C 13 58.118 0.000 A 51 SER CB C 13 64.457 0.000 A 51 SER N N 15 115.213 0.000 A 52 THR H H 1 7.624 0.003 A 52 THR HA H 1 4.692 0.004 A 52 THR HB H 1 4.284 0.000 A 52 THR HG2% H 1 1.204 0.001 A 52 THR CA C 13 59.835 0.000 A 52 THR CB C 13 71.872 0.000 A 52 THR CG2 C 13 22.007 0.000 A 52 THR N N 15 112.156 0.000 A 53 ASP H H 1 8.410 0.000 A 53 ASP HA H 1 4.970 0.006 A 53 ASP HB2 H 1 2.278 0.003 A 53 ASP HB3 H 1 2.584 0.004 A 53 ASP CA C 13 55.485 0.000 A 53 ASP CB C 13 40.722 0.000 A 53 ASP N N 15 119.869 0.000 A 54 ARG H H 1 9.306 0.000 A 54 ARG HA H 1 3.185 0.005 A 54 ARG HB2 H 1 2.093 0.005 A 54 ARG HB3 H 1 2.093 0.005 A 54 ARG HD2 H 1 3.092 0.009 A 54 ARG HD3 H 1 3.172 0.010 A 54 ARG HE H 1 7.389 0.006 A 54 ARG HG2 H 1 1.177 0.007 A 54 ARG HG3 H 1 0.745 0.007 A 54 ARG CA C 13 57.962 0.000 A 54 ARG CB C 13 28.429 0.000 A 54 ARG CG C 13 28.402 0.000 A 54 ARG N N 15 111.677 0.000 A 55 CYS H H 1 7.995 0.003 A 55 CYS HA H 1 4.561 0.003 A 55 CYS HB2 H 1 3.422 0.003 A 55 CYS HB3 H 1 3.866 0.005 A 55 CYS CA C 13 57.814 0.000 A 55 CYS CB C 13 46.236 0.000 A 56 ASN H H 1 8.755 0.001 A 56 ASN HA H 1 4.810 0.003 A 56 ASN HB2 H 1 2.349 0.004 A 56 ASN HB3 H 1 2.867 0.001 A 56 ASN HD21 H 1 8.214 0.003 A 56 ASN HD22 H 1 7.955 0.003 A 56 ASN CA C 13 52.366 0.000 A 56 ASN CB C 13 37.837 0.028 A 56 ASN N N 15 121.881 0.000 A 56 ASN ND2 N 15 114.994 0.006 A 57 LYS H H 1 6.874 0.003 A 57 LYS HA H 1 3.046 0.004 A 57 LYS HB2 H 1 1.535 0.003 A 57 LYS HB3 H 1 1.535 0.003 A 57 LYS HE2 H 1 2.918 0.007 A 57 LYS HE3 H 1 2.918 0.007 A 57 LYS HG2 H 1 0.878 0.003 A 57 LYS HG3 H 1 1.184 0.006 A 57 LYS HZ1 H 1 7.493 0.000 A 57 LYS HZ2 H 1 7.493 0.000 A 57 LYS HZ3 H 1 7.493 0.000 A 57 LYS C C 13 6.768 0.003 A 57 LYS CA C 13 59.018 0.000 A 57 LYS CB C 13 33.100 0.000 A 57 LYS CG C 13 24.397 0.000 A 57 LYS N N 15 124.419 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 22 ASN H A 22 ASN HB2 1.0 0.0 3.62 2 2 A 4 PHE H A 4 PHE HB3 1.0 0.0 3.75 3 3 A 4 PHE H A 4 PHE HB2 1.0 0.0 3.75 4 4 A 5 GLN H A 5 GLN HB2 1.0 0.0 3.54 5 5 A 5 GLN H A 5 GLN HG2 1.0 0.0 4.79 6 5 A 5 GLN H A 5 GLN HG3 1.0 0.0 4.79 7 6 A 19 CYS H A 19 CYS HB2 1.0 0.0 3.64 8 7 A 19 CYS H A 18 PHE HB3 1.0 0.0 3.91 9 8 A 51 SER H A 51 SER HB2 1.0 0.0 3.37 10 8 A 51 SER H A 51 SER HB3 1.0 0.0 3.37 11 9 A 39 SER H A 39 SER HB3 1.0 0.0 4.20 12 10 A 39 SER H A 38 SER HB2 1.0 0.0 4.21 13 11 A 39 SER H A 39 SER HB2 1.0 0.0 4.20 14 12 A 44 THR H A 44 THR HB 1.0 0.0 3.58 15 13 A 12 CYS H A 12 CYS HB3 1.0 0.0 3.91 16 14 A 12 CYS H A 12 CYS HB2 1.0 0.0 3.30 17 15 A 4 PHE HA A 10 VAL H 1.0 0.0 3.72 18 16 A 10 VAL H A 10 VAL HB 1.0 0.0 3.87 19 17 A 10 VAL H A 10 VAL HG2% 1.0 0.0 3.18 20 18 A 10 VAL H A 10 VAL HG1% 1.0 0.0 3.63 21 19 A 15 ASP H A 15 ASP HB2 1.0 0.0 3.68 22 20 A 15 ASP H A 15 ASP HB3 1.0 0.0 3.68 23 21 A 49 CYS H A 49 CYS HB2 1.0 0.0 3.34 24 21 A 49 CYS H A 49 CYS HB3 1.0 0.0 3.34 25 22 A 43 GLU H A 43 GLU HG2 1.0 0.0 3.88 26 23 A 56 ASN H A 56 ASN HB3 1.0 0.0 4.04 27 24 A 43 GLU H A 43 GLU HB2 1.0 0.0 2.84 28 24 A 43 GLU H A 43 GLU HB3 1.0 0.0 2.84 29 25 A 6 HIS H A 6 HIS HB3 1.0 0.0 4.16 30 26 A 21 HIS H A 21 HIS HB2 1.0 0.0 3.92 31 27 A 56 ASN H A 56 ASN HB2 1.0 0.0 4.04 32 28 A 23 THR H A 23 THR HB 1.0 0.0 4.03 33 29 A 9 VAL H A 9 VAL HG1% 1.0 0.0 3.99 34 30 A 23 THR H A 23 THR HG2% 1.0 0.0 3.90 35 31 A 11 THR H A 11 THR HG2% 1.0 0.0 3.92 36 32 A 9 VAL H A 9 VAL HB 1.0 0.0 2.98 37 33 A 37 CYS H A 37 CYS HB2 1.0 0.0 3.27 38 34 A 37 CYS H A 37 CYS HB3 1.0 0.0 3.82 39 35 A 42 SER H A 42 SER HB2 1.0 0.0 3.46 40 36 A 42 SER H A 42 SER HB3 1.0 0.0 3.46 41 37 A 11 THR H A 11 THR HB 1.0 0.0 3.36 42 38 A 2 LYS H A 53 ASP HA 1.0 0.0 3.85 43 39 A 18 PHE H A 18 PHE HB2 1.0 0.0 3.53 44 40 A 18 PHE HB3 A 18 PHE H 1.0 0.0 4.02 45 41 A 31 LYS H A 31 LYS HG3 1.0 0.0 4.95 46 42 A 31 LYS H A 31 LYS HG2 1.0 0.0 4.95 47 43 A 31 LYS H A 31 LYS HD2 1.0 0.0 4.28 48 43 A 31 LYS H A 31 LYS HD3 1.0 0.0 4.28 49 44 A 33 ILE H A 33 ILE HB 1.0 0.0 3.19 50 45 A 31 LYS H A 31 LYS HB2 1.0 0.0 3.68 51 45 A 31 LYS H A 31 LYS HB3 1.0 0.0 3.68 52 46 A 2 LYS H A 2 LYS HG3 1.0 0.0 4.14 53 47 A 3 CYS H A 3 CYS HB2 1.0 0.0 3.66 54 48 A 25 MET H A 25 MET HG3 1.0 0.0 4.10 55 49 A 25 MET H A 25 MET HB3 1.0 0.0 3.71 56 50 A 25 MET H A 25 MET HB2 1.0 0.0 3.71 57 51 A 25 MET H A 25 MET HG2 1.0 0.0 4.10 58 52 A 29 ASN H A 29 ASN HB2 1.0 0.0 3.31 59 52 A 29 ASN H A 29 ASN HB3 1.0 0.0 3.31 60 53 A 41 CYS H A 41 CYS HB3 1.0 0.0 3.89 61 54 A 41 CYS H A 41 CYS HB2 1.0 0.0 3.89 62 55 A 33 ILE H A 33 ILE HD1% 1.0 0.0 4.43 63 56 A 30 LEU H A 30 LEU HD1% 1.0 0.0 4.82 64 56 A 30 LEU H A 30 LEU HD2% 1.0 0.0 4.82 65 57 A 32 LEU H A 30 LEU HD1% 1.0 0.0 5.02 66 57 A 30 LEU HD2% A 32 LEU H 1.0 0.0 5.02 67 58 A 32 LEU H A 32 LEU HB2 1.0 0.0 3.05 68 58 A 32 LEU H A 32 LEU HB3 1.0 0.0 3.05 69 59 A 30 LEU H A 30 LEU HB3 1.0 0.0 3.63 70 60 A 30 LEU H A 30 LEU HB2 1.0 0.0 3.63 71 61 A 46 ASN H A 46 ASN HB3 1.0 0.0 3.59 72 62 A 46 ASN H A 46 ASN HB2 1.0 0.0 3.59 73 63 A 27 PHE H A 27 PHE HB2 1.0 0.0 3.58 74 64 A 40 SER H A 40 SER HB2 1.0 0.0 3.59 75 64 A 40 SER H A 40 SER HB3 1.0 0.0 3.59 76 65 A 47 ASN H A 47 ASN HB3 1.0 0.0 3.97 77 66 A 47 ASN H A 47 ASN HB2 1.0 0.0 3.97 78 67 A 16 MET H A 16 MET HB2 1.0 0.0 3.40 79 68 A 16 MET H A 16 MET HG3 1.0 0.0 4.13 80 69 A 16 MET H A 16 MET HB3 1.0 0.0 3.55 81 70 A 17 LYS H A 17 LYS HB3 1.0 0.0 3.63 82 71 A 17 LYS H A 17 LYS HB2 1.0 0.0 3.63 83 72 A 17 LYS H A 17 LYS HD2 1.0 0.0 4.76 84 72 A 17 LYS H A 17 LYS HD3 1.0 0.0 4.76 85 73 A 17 LYS H A 17 LYS HG2 1.0 0.0 4.39 86 73 A 17 LYS H A 17 LYS HG3 1.0 0.0 4.39 87 74 A 8 LYS H A 8 LYS HG2 1.0 0.0 3.69 88 74 A 8 LYS H A 8 LYS HG3 1.0 0.0 3.69 89 75 A 8 LYS H A 8 LYS HB3 1.0 0.0 3.74 90 76 A 8 LYS H A 8 LYS HB2 1.0 0.0 3.74 91 77 A 5 GLN HA A 5 GLN HE21 1.0 0.0 4.59 92 78 A 54 ARG H A 54 ARG HB2 1.0 0.0 3.93 93 78 A 54 ARG H A 54 ARG HB3 1.0 0.0 3.93 94 79 A 14 ARG HA A 14 ARG HD2 1.0 0.0 4.77 95 79 A 14 ARG HA A 14 ARG HD3 1.0 0.0 4.77 96 80 A 28 ARG HA A 28 ARG HD2 1.0 0.0 5.36 97 80 A 28 ARG HA A 28 ARG HD3 1.0 0.0 5.36 98 81 A 45 GLU HA A 45 GLU HG2 1.0 0.0 3.73 99 81 A 45 GLU HA A 45 GLU HG3 1.0 0.0 3.73 100 82 A 9 VAL HA A 4 PHE HB3 1.0 0.0 5.45 101 83 A 9 VAL HA A 9 VAL HG1% 1.0 0.0 3.32 102 84 A 9 VAL HA A 9 VAL HG2% 1.0 0.0 3.32 103 85 A 33 ILE HD1% A 33 ILE HA 1.0 0.0 3.34 104 86 A 23 THR HG2% A 23 THR HA 1.0 0.0 3.41 105 87 A 11 THR HG2% A 11 THR HA 1.0 0.0 3.25 106 88 A 44 THR HA A 44 THR HG2% 1.0 0.0 3.22 107 89 A 5 GLN HA A 5 GLN HG2 1.0 0.0 3.41 108 89 A 5 GLN HG3 A 5 GLN HA 1.0 0.0 3.41 109 90 A 43 GLU HA A 43 GLU HG3 1.0 0.0 3.95 110 91 A 16 MET HB3 A 38 SER HA 1.0 0.0 4.99 111 92 A 19 CYS HB2 A 56 ASN HA 1.0 0.0 5.50 112 93 A 56 ASN HA A 3 CYS HB3 1.0 0.0 5.50 113 94 A 22 ASN HB3 A 34 LEU HA 1.0 0.0 4.28 114 95 A 14 ARG HA A 14 ARG HG2 1.0 0.0 3.68 115 95 A 14 ARG HA A 14 ARG HG3 1.0 0.0 3.68 116 96 A 17 LYS HA A 17 LYS HG2 1.0 0.0 3.64 117 96 A 17 LYS HG3 A 17 LYS HA 1.0 0.0 3.64 118 97 A 32 LEU HA A 32 LEU HB2 1.0 0.0 2.86 119 97 A 32 LEU HB3 A 32 LEU HA 1.0 0.0 2.86 120 98 A 40 SER HA A 40 SER HB2 1.0 0.0 2.95 121 98 A 40 SER HB3 A 40 SER HA 1.0 0.0 2.95 122 99 A 21 HIS H A 21 HIS HB3 1.0 0.0 3.21 123 100 A 52 THR H A 52 THR HG2% 1.0 0.0 3.99 124 101 A 51 SER H A 50 CYS HA 1.0 0.0 3.02 125 102 A 39 SER H A 38 SER HA 1.0 0.0 2.95 126 103 A 39 SER H A 38 SER HB3 1.0 0.0 4.21 127 104 A 42 SER H A 41 CYS HA 1.0 0.0 2.76 128 105 A 37 CYS HA A 38 SER H 1.0 0.0 3.08 129 106 A 37 CYS HB2 A 38 SER H 1.0 0.0 4.10 130 107 A 50 CYS H A 49 CYS HB2 1.0 0.0 3.60 131 107 A 49 CYS HB3 A 50 CYS H 1.0 0.0 3.60 132 108 A 50 CYS H A 49 CYS HA 1.0 0.0 2.97 133 109 A 34 LEU H A 34 LEU HD1% 1.0 0.0 3.99 134 109 A 34 LEU H A 34 LEU HD2% 1.0 0.0 3.99 135 110 A 5 GLN H A 5 GLN HB3 1.0 0.0 3.54 136 111 A 44 THR H A 44 THR HG2% 1.0 0.0 3.80 137 112 A 23 THR HB A 24 GLY H 1.0 0.0 4.04 138 113 A 23 THR HG2% A 24 GLY H 1.0 0.0 3.83 139 114 A 40 SER H A 38 SER HB2 1.0 0.0 4.42 140 115 A 41 CYS H A 40 SER HA 1.0 0.0 2.99 141 116 A 41 CYS H A 40 SER HB2 1.0 0.0 3.36 142 116 A 41 CYS H A 40 SER HB3 1.0 0.0 3.36 143 117 A 10 VAL HG1% A 11 THR H 1.0 0.0 4.03 144 118 A 10 VAL HG2% A 11 THR H 1.0 0.0 3.73 145 119 A 11 THR H A 10 VAL HA 1.0 0.0 2.86 146 120 A 33 ILE H A 33 ILE HG2% 1.0 0.0 5.34 147 121 A 30 LEU H A 30 LEU HG 1.0 0.0 5.39 148 122 A 32 LEU H A 30 LEU HG 1.0 0.0 5.50 149 123 A 52 THR H A 51 SER HB2 1.0 0.0 4.57 150 123 A 51 SER HB3 A 52 THR H 1.0 0.0 4.57 151 124 A 12 CYS H A 11 THR HG2% 1.0 0.0 3.25 152 125 A 12 CYS H A 11 THR HA 1.0 0.0 2.86 153 126 A 12 CYS H A 11 THR HB 1.0 0.0 4.60 154 127 A 25 MET H A 24 GLY HA3 1.0 0.0 3.53 155 128 A 25 MET H A 24 GLY HA2 1.0 0.0 3.53 156 129 A 51 SER H A 52 THR H 1.0 0.0 3.39 157 130 A 37 CYS H A 38 SER H 1.0 0.0 5.23 158 131 A 12 CYS H A 11 THR H 1.0 0.0 5.32 159 132 A 10 VAL H A 11 THR H 1.0 0.0 4.55 160 133 A 50 CYS H A 20 TYR H 1.0 0.0 5.50 161 134 A 49 CYS H A 50 CYS H 1.0 0.0 5.50 162 135 A 39 SER H A 40 SER H 1.0 0.0 3.30 163 136 A 43 GLU H A 43 GLU HG3 1.0 0.0 3.88 164 137 A 45 GLU H A 45 GLU HG2 1.0 0.0 4.04 165 137 A 45 GLU HG3 A 45 GLU H 1.0 0.0 4.04 166 138 A 30 LEU HA A 30 LEU HD1% 1.0 0.0 3.66 167 138 A 30 LEU HD2% A 30 LEU HA 1.0 0.0 3.66 168 139 A 28 ARG H A 28 ARG HG2 1.0 0.0 4.61 169 140 A 43 GLU H A 42 SER HA 1.0 0.0 3.37 170 141 A 43 GLU H A 42 SER HB3 1.0 0.0 4.46 171 142 A 43 GLU H A 42 SER HB2 1.0 0.0 4.46 172 143 A 44 THR H A 43 GLU HB2 1.0 0.0 4.23 173 143 A 44 THR H A 43 GLU HB3 1.0 0.0 4.23 174 144 A 44 THR H A 43 GLU HG2 1.0 0.0 4.19 175 145 A 44 THR H A 43 GLU HG3 1.0 0.0 4.19 176 146 A 23 THR H A 22 ASN HA 1.0 0.0 2.83 177 147 A 22 ASN H A 22 ASN HB3 1.0 0.0 3.70 178 148 A 22 ASN H A 21 HIS HB3 1.0 0.0 4.63 179 149 A 21 HIS H A 20 TYR HA 1.0 0.0 2.99 180 150 A 17 LYS H A 16 MET HA 1.0 0.0 3.02 181 151 A 18 PHE H A 17 LYS HA 1.0 0.0 3.49 182 152 A 19 CYS H A 18 PHE HA 1.0 0.0 3.05 183 153 A 20 TYR H A 19 CYS HA 1.0 0.0 3.11 184 154 A 19 CYS H A 18 PHE HB2 1.0 0.0 4.27 185 155 A 13 HIS H A 13 HIS HB2 1.0 0.0 4.04 186 156 A 13 HIS H A 13 HIS HB3 1.0 0.0 3.74 187 157 A 13 HIS H A 12 CYS HA 1.0 0.0 2.98 188 158 A 9 VAL H A 8 LYS HA 1.0 0.0 3.13 189 159 A 10 VAL H A 9 VAL HA 1.0 0.0 2.77 190 160 A 15 ASP H A 14 ARG HA 1.0 0.0 3.53 191 161 A 13 HIS HA A 14 ARG H 1.0 0.0 2.92 192 162 A 14 ARG H A 14 ARG HB2 1.0 0.0 2.95 193 162 A 14 ARG H A 14 ARG HB3 1.0 0.0 2.95 194 163 A 14 ARG H A 14 ARG HG2 1.0 0.0 3.48 195 163 A 14 ARG HG3 A 14 ARG H 1.0 0.0 3.48 196 164 A 13 HIS HB2 A 14 ARG H 1.0 0.0 4.14 197 165 A 13 HIS HB3 A 14 ARG H 1.0 0.0 3.47 198 166 A 10 VAL H A 9 VAL HG1% 1.0 0.0 4.46 199 167 A 52 THR HG2% A 53 ASP H 1.0 0.0 3.30 200 168 A 3 CYS H A 2 LYS HA 1.0 0.0 3.02 201 169 A 4 PHE H A 3 CYS HB2 1.0 0.0 3.92 202 170 A 4 PHE H A 3 CYS HB3 1.0 0.0 3.47 203 171 A 4 PHE H A 3 CYS HA 1.0 0.0 3.17 204 172 A 5 GLN H A 4 PHE HA 1.0 0.0 2.87 205 173 A 20 TYR H A 20 TYR HB2 1.0 0.0 3.71 206 174 A 20 TYR H A 19 CYS HB3 1.0 0.0 3.76 207 175 A 45 GLU H A 45 GLU HB2 1.0 0.0 3.41 208 175 A 45 GLU H A 45 GLU HB3 1.0 0.0 3.41 209 176 A 49 CYS H A 48 LYS HA 1.0 0.0 3.01 210 177 A 47 ASN HA A 48 LYS H 1.0 0.0 2.89 211 178 A 44 THR HA A 45 GLU H 1.0 0.0 3.29 212 179 A 44 THR HB A 45 GLU H 1.0 0.0 3.95 213 180 A 12 CYS HB3 A 13 HIS H 1.0 0.0 3.36 214 181 A 12 CYS HB2 A 13 HIS H 1.0 0.0 4.25 215 182 A 13 HIS H A 16 MET HG2 1.0 0.0 4.60 216 183 A 6 HIS HA A 7 GLY H 1.0 0.0 3.38 217 184 A 6 HIS H A 5 GLN HG2 1.0 0.0 4.27 218 184 A 5 GLN HG3 A 6 HIS H 1.0 0.0 4.27 219 185 A 6 HIS H A 5 GLN HB2 1.0 0.0 4.00 220 186 A 6 HIS H A 5 GLN HB3 1.0 0.0 4.00 221 187 A 5 GLN H A 6 HIS H 1.0 0.0 4.98 222 188 A 5 GLN H A 7 GLY H 1.0 0.0 4.68 223 189 A 6 HIS H A 8 LYS H 1.0 0.0 5.50 224 190 A 8 LYS H A 7 GLY H 1.0 0.0 3.76 225 191 A 31 LYS H A 30 LEU H 1.0 0.0 4.49 226 192 A 31 LYS H A 32 LEU H 1.0 0.0 4.86 227 193 A 10 VAL HB A 11 THR H 1.0 0.0 3.02 228 194 A 48 LYS H A 48 LYS HG3 1.0 0.0 4.28 229 195 A 48 LYS H A 48 LYS HG2 1.0 0.0 4.28 230 196 A 34 LEU H A 34 LEU HB2 1.0 0.0 3.54 231 196 A 34 LEU H A 34 LEU HB3 1.0 0.0 3.54 232 197 A 4 PHE HA A 4 PHE HE% 1.0 0.0 4.66 233 198 A 4 PHE HA A 4 PHE HD% 1.0 0.0 3.39 234 199 A 4 PHE H A 4 PHE HE% 1.0 0.0 5.06 235 200 A 4 PHE H A 4 PHE HD% 1.0 0.0 3.59 236 201 A 18 PHE HA A 18 PHE HE% 1.0 0.0 5.50 237 202 A 18 PHE HA A 18 PHE HD% 1.0 0.0 3.50 238 203 A 18 PHE H A 18 PHE HD% 1.0 0.0 3.75 239 204 A 18 PHE H A 18 PHE HE% 1.0 0.0 5.50 240 205 A 20 TYR H A 20 TYR HE% 1.0 0.0 4.80 241 206 A 20 TYR H A 20 TYR HD% 1.0 0.0 3.62 242 207 A 22 ASN H A 34 LEU H 1.0 0.0 4.56 243 208 A 20 TYR HA A 20 TYR HD% 1.0 0.0 3.98 244 209 A 22 ASN H A 20 TYR HE% 1.0 0.0 5.50 245 210 A 22 ASN H A 22 ASN HD21 1.0 0.0 4.77 246 211 A 22 ASN H A 21 HIS HD2 1.0 0.0 4.54 247 212 A 22 ASN HA A 22 ASN HD21 1.0 0.0 4.25 248 213 A 22 ASN HA A 22 ASN HD22 1.0 0.0 4.95 249 214 A 22 ASN HB2 A 20 TYR HE% 1.0 0.0 4.50 250 215 A 22 ASN HB3 A 20 TYR HE% 1.0 0.0 5.14 251 216 A 47 ASN HD21 A 47 ASN HB2 1.0 0.0 4.06 252 217 A 47 ASN H A 47 ASN HD21 1.0 0.0 5.50 253 218 A 46 ASN H A 47 ASN H 1.0 0.0 3.30 254 219 A 5 GLN HA A 5 GLN HE22 1.0 0.0 5.50 255 220 A 46 ASN H A 45 GLU HG2 1.0 0.0 4.05 256 220 A 46 ASN H A 45 GLU HG3 1.0 0.0 4.05 257 221 A 46 ASN H A 45 GLU HB2 1.0 0.0 3.58 258 221 A 46 ASN H A 45 GLU HB3 1.0 0.0 3.58 259 222 A 22 ASN HD22 A 34 LEU HB2 1.0 0.0 5.44 260 222 A 34 LEU HB3 A 22 ASN HD22 1.0 0.0 5.44 261 223 A 34 LEU H A 34 LEU HG 1.0 0.0 4.40 262 224 A 4 PHE HA A 10 VAL HG2% 1.0 0.0 4.44 263 225 A 25 MET HA A 26 PRO HD2 1.0 0.0 3.34 264 226 A 25 MET HA A 26 PRO HD3 1.0 0.0 3.34 265 227 A 27 PHE H A 26 PRO HA 1.0 0.0 3.23 266 228 A 55 CYS H A 54 ARG HB2 1.0 0.0 4.11 267 228 A 54 ARG HB3 A 55 CYS H 1.0 0.0 4.11 268 229 A 27 PHE H A 26 PRO HG2 1.0 0.0 4.95 269 229 A 27 PHE H A 26 PRO HG3 1.0 0.0 4.95 270 230 A 27 PHE HA A 27 PHE HD% 1.0 0.0 3.54 271 231 A 27 PHE HB2 A 28 ARG H 1.0 0.0 4.50 272 232 A 28 ARG H A 27 PHE HB3 1.0 0.0 3.81 273 233 A 28 ARG H A 27 PHE HA 1.0 0.0 3.23 274 234 A 28 ARG H A 28 ARG HG3 1.0 0.0 4.61 275 235 A 47 ASN H A 47 ASN HD22 1.0 0.0 5.50 276 236 A 47 ASN HD22 A 47 ASN HB2 1.0 0.0 4.06 277 237 A 47 ASN HD22 A 47 ASN HB3 1.0 0.0 4.06 278 238 A 47 ASN H A 48 LYS H 1.0 0.0 4.77 279 239 A 54 ARG HB3 A 54 ARG HD2 1.0 0.0 3.54 280 239 A 54 ARG HD2 A 54 ARG HB2 1.0 0.0 3.54 281 240 A 29 ASN H A 28 ARG HA 1.0 0.0 3.19 282 241 A 42 SER H A 41 CYS HB3 1.0 0.0 4.42 283 242 A 42 SER H A 41 CYS HB2 1.0 0.0 4.42 284 243 A 29 ASN H A 30 LEU H 1.0 0.0 3.53 285 244 A 31 LYS H A 30 LEU HA 1.0 0.0 3.23 286 245 A 31 LYS HA A 31 LYS HD2 1.0 0.0 4.56 287 245 A 31 LYS HD3 A 31 LYS HA 1.0 0.0 4.56 288 246 A 33 ILE HA A 34 LEU H 1.0 0.0 3.03 289 247 A 20 TYR H A 56 ASN HD21 1.0 0.0 5.00 290 248 A 34 LEU H A 35 GLN H 1.0 0.0 4.02 291 249 A 30 LEU H A 29 ASN HB2 1.0 0.0 3.98 292 249 A 29 ASN HB3 A 30 LEU H 1.0 0.0 3.98 293 250 A 30 LEU H A 29 ASN HA 1.0 0.0 3.37 294 251 A 35 GLN HA A 36 GLY H 1.0 0.0 3.10 295 252 A 37 CYS H A 36 GLY HA2 1.0 0.0 2.78 296 252 A 37 CYS H A 36 GLY HA3 1.0 0.0 2.78 297 253 A 36 GLY H A 35 GLN HG2 1.0 0.0 5.50 298 254 A 36 GLY H A 35 GLN HB2 1.0 0.0 4.40 299 255 A 36 GLY H A 34 LEU HB2 1.0 0.0 5.43 300 255 A 34 LEU HB3 A 36 GLY H 1.0 0.0 5.43 301 256 A 36 GLY H A 35 GLN HG3 1.0 0.0 5.50 302 257 A 36 GLY H A 35 GLN HB3 1.0 0.0 4.40 303 258 A 33 ILE HA A 33 ILE HG2% 1.0 0.0 4.06 304 259 A 33 ILE HB A 33 ILE HD1% 1.0 0.0 3.32 305 260 A 33 ILE H A 33 ILE HG12 1.0 0.0 4.25 306 260 A 33 ILE H A 33 ILE HG13 1.0 0.0 4.25 307 261 A 33 ILE HD1% A 34 LEU H 1.0 0.0 3.92 308 262 A 31 LYS H A 30 LEU HD1% 1.0 0.0 5.02 309 262 A 31 LYS H A 30 LEU HD2% 1.0 0.0 5.02 310 263 A 31 LYS H A 30 LEU HG 1.0 0.0 4.64 311 264 A 33 ILE H A 32 LEU HB2 1.0 0.0 3.92 312 264 A 33 ILE H A 32 LEU HB3 1.0 0.0 3.92 313 265 A 31 LYS H A 30 LEU HB3 1.0 0.0 4.76 314 266 A 31 LYS H A 30 LEU HB2 1.0 0.0 4.76 315 267 A 33 ILE H A 32 LEU HA 1.0 0.0 2.89 316 268 A 32 LEU H A 31 LYS HA 1.0 0.0 3.21 317 269 A 53 ASP H A 52 THR HA 1.0 0.0 2.90 318 270 A 53 ASP H A 52 THR HB 1.0 0.0 3.23 319 271 A 53 ASP H A 53 ASP HB3 1.0 0.0 3.75 320 272 A 53 ASP H A 53 ASP HB2 1.0 0.0 3.75 321 273 A 54 ARG H A 3 CYS HA 1.0 0.0 3.19 322 274 A 53 ASP HA A 54 ARG H 1.0 0.0 3.34 323 275 A 54 ARG H A 54 ARG HG3 1.0 0.0 3.40 324 276 A 54 ARG H A 54 ARG HG2 1.0 0.0 3.60 325 277 A 56 ASN H A 54 ARG HA 1.0 0.0 3.81 326 278 A 2 LYS H A 1 LEU HA 1.0 0.0 3.08 327 279 A 35 GLN H A 36 GLY H 1.0 0.0 4.91 328 280 A 36 GLY H A 56 ASN HD22 1.0 0.0 5.48 329 281 A 37 CYS H A 36 GLY H 1.0 0.0 5.50 330 282 A 20 TYR H A 36 GLY H 1.0 0.0 4.06 331 283 A 2 LYS H A 1 LEU HB2 1.0 0.0 4.03 332 283 A 2 LYS H A 1 LEU HB3 1.0 0.0 4.03 333 284 A 2 LYS H A 1 LEU HD1% 1.0 0.0 4.86 334 285 A 3 CYS HB2 A 56 ASN HD22 1.0 0.0 4.15 335 286 A 34 LEU HA A 34 LEU HG 1.0 0.0 3.33 336 287 A 34 LEU HB2 A 34 LEU HD1% 1.0 0.0 3.12 337 287 A 34 LEU HB3 A 34 LEU HD1% 1.0 0.0 3.12 338 287 A 34 LEU HD2% A 34 LEU HB2 1.0 0.0 3.12 339 287 A 34 LEU HD2% A 34 LEU HB3 1.0 0.0 3.12 340 288 A 49 CYS HA A 49 CYS HB2 1.0 0.0 2.97 341 288 A 49 CYS HB3 A 49 CYS HA 1.0 0.0 2.97 342 289 A 43 GLU HA A 43 GLU HG2 1.0 0.0 3.95 343 290 A 45 GLU HB2 A 45 GLU HG2 1.0 0.0 3.00 344 290 A 45 GLU HG3 A 45 GLU HB2 1.0 0.0 3.00 345 290 A 45 GLU HG3 A 45 GLU HB3 1.0 0.0 3.00 346 290 A 45 GLU HB3 A 45 GLU HG2 1.0 0.0 3.00 347 291 A 48 LYS HA A 48 LYS HG2 1.0 0.0 3.79 348 292 A 48 LYS HA A 48 LYS HG3 1.0 0.0 3.79 349 293 A 3 CYS H A 3 CYS HB3 1.0 0.0 3.93 350 294 A 2 LYS HA A 2 LYS HG3 1.0 0.0 4.17 351 295 A 11 THR HG2% A 2 LYS HA 1.0 0.0 4.56 352 296 A 33 ILE HG2% A 33 ILE HG12 1.0 0.0 3.20 353 296 A 33 ILE HG2% A 33 ILE HG13 1.0 0.0 3.20 354 297 A 33 ILE HD1% A 33 ILE HG2% 1.0 0.0 3.69 355 298 A 35 GLN HA A 35 GLN HG2 1.0 0.0 4.10 356 299 A 35 GLN HA A 35 GLN HG3 1.0 0.0 4.10 357 300 A 28 ARG H A 30 LEU HD1% 1.0 0.0 5.14 358 300 A 30 LEU HD2% A 28 ARG H 1.0 0.0 5.14 359 301 A 30 LEU HD2% A 30 LEU HB3 1.0 0.0 3.44 360 301 A 30 LEU HB3 A 30 LEU HD1% 1.0 0.0 3.44 361 302 A 30 LEU HD2% A 30 LEU HB2 1.0 0.0 3.44 362 302 A 30 LEU HB2 A 30 LEU HD1% 1.0 0.0 3.44 363 303 A 30 LEU HD1% A 32 LEU HB2 1.0 0.0 2.83 364 303 A 30 LEU HD2% A 32 LEU HB2 1.0 0.0 2.83 365 303 A 32 LEU HB3 A 30 LEU HD1% 1.0 0.0 2.83 366 303 A 30 LEU HD2% A 32 LEU HB3 1.0 0.0 2.83 367 304 A 16 MET HG3 A 16 MET HA 1.0 0.0 3.22 368 305 A 17 LYS HA A 17 LYS HD2 1.0 0.0 4.13 369 305 A 17 LYS HD3 A 17 LYS HA 1.0 0.0 4.13 370 306 A 8 LYS HA A 8 LYS HG2 1.0 0.0 3.75 371 306 A 8 LYS HG3 A 8 LYS HA 1.0 0.0 3.75 372 307 A 52 THR HG2% A 52 THR HA 1.0 0.0 3.81 373 308 A 10 VAL H A 9 VAL HG2% 1.0 0.0 4.46 374 309 A 1 LEU HB3 A 1 LEU HD1% 1.0 0.0 3.33 375 309 A 1 LEU HD1% A 1 LEU HB2 1.0 0.0 3.33 376 310 A 22 ASN H A 23 THR H 1.0 0.0 5.50 377 311 A 22 ASN H A 48 LYS H 1.0 0.0 5.50 378 312 A 39 SER H A 38 SER H 1.0 0.0 5.50 379 313 A 38 SER H A 19 CYS HA 1.0 0.0 4.42 380 314 A 18 PHE H A 38 SER H 1.0 0.0 3.87 381 315 A 38 SER H A 20 TYR H 1.0 0.0 5.50 382 316 A 17 LYS H A 38 SER H 1.0 0.0 5.46 383 317 A 38 SER H A 18 PHE HD% 1.0 0.0 5.50 384 318 A 38 SER H A 20 TYR HD% 1.0 0.0 4.75 385 319 A 47 ASN HD21 A 47 ASN HB3 1.0 0.0 4.06 386 320 A 21 HIS H A 21 HIS HD2 1.0 0.0 5.49 387 321 A 4 PHE H A 54 ARG H 1.0 0.0 5.50 388 322 A 4 PHE H A 3 CYS H 1.0 0.0 5.20 389 323 A 4 PHE H A 56 ASN HD22 1.0 0.0 3.63 390 324 A 5 GLN H A 10 VAL H 1.0 0.0 4.92 391 325 A 5 GLN H A 4 PHE HD% 1.0 0.0 5.02 392 326 A 19 CYS H A 20 TYR H 1.0 0.0 5.50 393 327 A 50 CYS H A 20 TYR HA 1.0 0.0 4.36 394 328 A 19 CYS H A 18 PHE HD% 1.0 0.0 4.41 395 329 A 19 CYS H A 18 PHE H 1.0 0.0 5.21 396 330 A 2 LYS H A 54 ARG H 1.0 0.0 5.29 397 331 A 3 CYS H A 54 ARG H 1.0 0.0 5.50 398 332 A 54 ARG H A 53 ASP H 1.0 0.0 5.50 399 333 A 54 ARG H A 55 CYS H 1.0 0.0 3.76 400 334 A 39 SER H A 17 LYS H 1.0 0.0 5.50 401 335 A 44 THR H A 43 GLU H 1.0 0.0 4.70 402 336 A 13 HIS H A 14 ARG H 1.0 0.0 5.50 403 337 A 13 HIS HA A 13 HIS HD2 1.0 0.0 3.66 404 338 A 13 HIS H A 13 HIS HD2 1.0 0.0 5.02 405 339 A 16 MET H A 15 ASP HB2 1.0 0.0 4.67 406 340 A 16 MET H A 15 ASP HB3 1.0 0.0 4.67 407 341 A 16 MET H A 16 MET HG2 1.0 0.0 4.75 408 342 A 6 HIS H A 6 HIS HD2 1.0 0.0 5.50 409 343 A 21 HIS HD2 A 21 HIS HA 1.0 0.0 3.79 410 344 A 1 LEU HB3 A 1 LEU HD2% 1.0 0.0 3.33 411 344 A 1 LEU HB2 A 1 LEU HD2% 1.0 0.0 3.33 412 345 A 2 LYS H A 1 LEU HD2% 1.0 0.0 4.86 413 346 A 21 HIS HB2 A 21 HIS HD2 1.0 0.0 3.54 414 347 A 4 PHE H A 56 ASN HD21 1.0 0.0 4.11 415 348 A 15 ASP H A 16 MET H 1.0 0.0 3.37 416 349 A 10 VAL H A 3 CYS H 1.0 0.0 3.84 417 350 A 12 CYS H A 3 CYS H 1.0 0.0 4.91 418 351 A 33 ILE H A 34 LEU H 1.0 0.0 5.13 419 352 A 15 ASP H A 14 ARG H 1.0 0.0 4.53 420 353 A 37 CYS H A 20 TYR H 1.0 0.0 5.07 421 354 A 43 GLU H A 42 SER H 1.0 0.0 5.37 422 355 A 21 HIS H A 48 LYS H 1.0 0.0 3.79 423 356 A 46 ASN H A 45 GLU H 1.0 0.0 3.74 424 357 A 56 ASN H A 55 CYS H 1.0 0.0 3.43 425 358 A 47 ASN H A 45 GLU H 1.0 0.0 5.50 426 359 A 56 ASN H A 4 PHE HE% 1.0 0.0 5.50 427 360 A 21 HIS H A 20 TYR HD% 1.0 0.0 4.74 428 361 A 56 ASN H A 57 LYS H 1.0 0.0 3.60 429 362 A 56 ASN H A 4 PHE HD% 1.0 0.0 4.23 430 363 A 9 VAL H A 4 PHE HD% 1.0 0.0 5.28 431 364 A 23 THR H A 22 ASN HD21 1.0 0.0 5.50 432 365 A 9 VAL H A 4 PHE HE% 1.0 0.0 5.50 433 366 A 23 THR H A 22 ASN HD22 1.0 0.0 5.50 434 367 A 9 VAL H A 8 LYS H 1.0 0.0 5.50 435 368 A 25 MET H A 24 GLY H 1.0 0.0 5.50 436 369 A 42 SER H A 41 CYS H 1.0 0.0 5.01 437 370 A 52 THR H A 53 ASP H 1.0 0.0 5.00 438 371 A 37 CYS H A 20 TYR HE% 1.0 0.0 4.29 439 372 A 7 GLY H A 4 PHE HD% 1.0 0.0 5.50 440 373 A 28 ARG H A 27 PHE HD% 1.0 0.0 4.90 441 374 A 20 TYR HD% A 35 GLN H 1.0 0.0 5.50 442 375 A 4 PHE HD% A 56 ASN HD22 1.0 0.0 5.42 443 376 A 20 TYR HE% A 35 GLN H 1.0 0.0 5.16 444 377 A 18 PHE H A 17 LYS H 1.0 0.0 3.07 445 378 A 41 CYS H A 18 PHE HE% 1.0 0.0 4.78 446 379 A 41 CYS H A 18 PHE HD% 1.0 0.0 4.63 447 380 A 55 CYS H A 57 LYS H 1.0 0.0 5.50 448 381 A 27 PHE H A 27 PHE HD% 1.0 0.0 4.80 449 382 A 52 THR H A 55 CYS H 1.0 0.0 5.50 450 383 A 40 SER H A 18 PHE HD% 1.0 0.0 4.84 451 384 A 17 LYS H A 18 PHE HD% 1.0 0.0 4.77 452 385 A 8 LYS H A 4 PHE HD% 1.0 0.0 4.88 453 386 A 22 ASN H A 34 LEU HB2 1.0 0.0 3.83 454 386 A 22 ASN H A 34 LEU HB3 1.0 0.0 3.83 455 387 A 22 ASN H A 34 LEU HD1% 1.0 0.0 5.21 456 387 A 22 ASN H A 34 LEU HD2% 1.0 0.0 5.21 457 388 A 22 ASN H A 33 ILE HD1% 1.0 0.0 5.50 458 389 A 22 ASN H A 35 GLN HA 1.0 0.0 4.28 459 390 A 38 SER H A 16 MET HA 1.0 0.0 5.50 460 391 A 12 CYS HB3 A 38 SER H 1.0 0.0 5.50 461 392 A 37 CYS HB3 A 38 SER H 1.0 0.0 3.50 462 393 A 16 MET HB2 A 38 SER H 1.0 0.0 5.47 463 394 A 16 MET HB3 A 38 SER H 1.0 0.0 4.81 464 395 A 16 MET HG3 A 38 SER H 1.0 0.0 4.03 465 396 A 4 PHE H A 54 ARG HA 1.0 0.0 4.03 466 397 A 5 GLN H A 36 GLY HA2 1.0 0.0 5.50 467 397 A 5 GLN H A 36 GLY HA3 1.0 0.0 5.50 468 398 A 5 GLN H A 9 VAL HA 1.0 0.0 4.62 469 399 A 5 GLN H A 4 PHE HB2 1.0 0.0 4.53 470 400 A 5 GLN H A 10 VAL HG1% 1.0 0.0 4.21 471 401 A 5 GLN H A 10 VAL HG2% 1.0 0.0 4.41 472 402 A 50 CYS H A 18 PHE HA 1.0 0.0 4.93 473 403 A 18 PHE HB2 A 50 CYS H 1.0 0.0 5.50 474 404 A 19 CYS H A 51 SER HB2 1.0 0.0 5.50 475 404 A 19 CYS H A 51 SER HB3 1.0 0.0 5.50 476 405 A 54 ARG H A 9 VAL HG1% 1.0 0.0 5.50 477 406 A 39 SER H A 16 MET HA 1.0 0.0 5.22 478 407 A 39 SER H A 40 SER HB2 1.0 0.0 5.36 479 407 A 39 SER H A 40 SER HB3 1.0 0.0 5.36 480 408 A 39 SER H A 16 MET HB3 1.0 0.0 5.50 481 409 A 39 SER H A 16 MET HG3 1.0 0.0 5.50 482 410 A 16 MET HG3 A 13 HIS H 1.0 0.0 5.36 483 411 A 12 CYS H A 2 LYS HA 1.0 0.0 3.61 484 412 A 12 CYS H A 1 LEU HB2 1.0 0.0 4.44 485 412 A 12 CYS H A 1 LEU HB3 1.0 0.0 4.44 486 413 A 12 CYS H A 10 VAL HG2% 1.0 0.0 4.89 487 414 A 15 ASP H A 14 ARG HG2 1.0 0.0 4.51 488 414 A 15 ASP H A 14 ARG HG3 1.0 0.0 4.51 489 415 A 15 ASP H A 14 ARG HB2 1.0 0.0 3.88 490 415 A 15 ASP H A 14 ARG HB3 1.0 0.0 3.88 491 416 A 15 ASP H A 13 HIS HB2 1.0 0.0 4.24 492 417 A 15 ASP H A 13 HIS HB3 1.0 0.0 4.11 493 418 A 10 VAL H A 2 LYS HA 1.0 0.0 5.27 494 419 A 37 CYS HA A 20 TYR H 1.0 0.0 4.30 495 420 A 20 TYR H A 21 HIS HA 1.0 0.0 5.50 496 421 A 34 LEU H A 21 HIS HA 1.0 0.0 5.50 497 422 A 49 CYS H A 50 CYS HA 1.0 0.0 5.50 498 423 A 56 ASN H A 3 CYS HA 1.0 0.0 4.74 499 424 A 10 VAL H A 3 CYS HA 1.0 0.0 5.50 500 425 A 21 HIS H A 20 TYR HB2 1.0 0.0 3.68 501 426 A 21 HIS HB3 A 48 LYS H 1.0 0.0 4.66 502 427 A 18 PHE H A 39 SER HA 1.0 0.0 4.39 503 428 A 37 CYS H A 5 GLN HG2 1.0 0.0 5.20 504 428 A 5 GLN HG3 A 37 CYS H 1.0 0.0 5.20 505 429 A 56 ASN H A 57 LYS HB2 1.0 0.0 4.87 506 429 A 56 ASN H A 57 LYS HB3 1.0 0.0 4.87 507 430 A 3 CYS HA A 56 ASN HD22 1.0 0.0 4.84 508 431 A 33 ILE HD1% A 35 GLN H 1.0 0.0 4.28 509 432 A 35 GLN H A 34 LEU HD1% 1.0 0.0 4.72 510 432 A 34 LEU HD2% A 35 GLN H 1.0 0.0 4.72 511 433 A 3 CYS HA A 55 CYS H 1.0 0.0 4.52 512 434 A 53 ASP HA A 55 CYS H 1.0 0.0 4.74 513 435 A 40 SER H A 38 SER HA 1.0 0.0 4.29 514 436 A 55 CYS H A 55 CYS HB2 1.0 0.0 3.66 515 437 A 55 CYS H A 55 CYS HB3 1.0 0.0 3.66 516 438 A 16 MET H A 13 HIS HB3 1.0 0.0 5.04 517 439 A 16 MET H A 13 HIS HB2 1.0 0.0 4.11 518 440 A 47 ASN H A 45 GLU HB2 1.0 0.0 5.11 519 440 A 47 ASN H A 45 GLU HB3 1.0 0.0 5.11 520 441 A 40 SER H A 38 SER HB3 1.0 0.0 4.42 521 442 A 4 PHE HA A 8 LYS H 1.0 0.0 4.80 522 443 A 8 LYS H A 6 HIS HA 1.0 0.0 4.74 523 444 A 52 THR H A 55 CYS HB3 1.0 0.0 4.31 524 445 A 10 VAL HG1% A 5 GLN HE21 1.0 0.0 4.95 525 446 A 22 ASN HD22 A 34 LEU HD1% 1.0 0.0 4.77 526 446 A 34 LEU HD2% A 22 ASN HD22 1.0 0.0 4.77 527 447 A 26 PRO HA A 27 PHE HD% 1.0 0.0 5.41 528 448 A 6 HIS HA A 6 HIS HD2 1.0 0.0 4.59 529 449 A 18 PHE HE% A 51 SER HB2 1.0 0.0 4.32 530 449 A 51 SER HB3 A 18 PHE HE% 1.0 0.0 4.32 531 450 A 54 ARG HE A 9 VAL HG1% 1.0 0.0 5.50 532 451 A 27 PHE HE% A 30 LEU HD1% 1.0 0.0 4.52 533 451 A 30 LEU HD2% A 27 PHE HE% 1.0 0.0 4.52 534 452 A 18 PHE HE% A 17 LYS HB3 1.0 0.0 4.34 535 453 A 18 PHE HE% A 17 LYS HB2 1.0 0.0 4.34 536 454 A 18 PHE HE% A 17 LYS HD2 1.0 0.0 4.19 537 454 A 17 LYS HD3 A 18 PHE HE% 1.0 0.0 4.19 538 455 A 18 PHE HE% A 17 LYS HG2 1.0 0.0 4.66 539 455 A 17 LYS HG3 A 18 PHE HE% 1.0 0.0 4.66 540 456 A 35 GLN HE21 A 4 PHE HB2 1.0 0.0 4.51 541 457 A 35 GLN HE21 A 4 PHE HB3 1.0 0.0 4.51 542 458 A 4 PHE HE% A 57 LYS HE2 1.0 0.0 5.21 543 458 A 4 PHE HE% A 57 LYS HE3 1.0 0.0 5.21 544 459 A 4 PHE HE% A 54 ARG HB2 1.0 0.0 2.82 545 459 A 54 ARG HB3 A 4 PHE HE% 1.0 0.0 2.82 546 460 A 4 PHE HE% A 57 LYS HB2 1.0 0.0 2.94 547 460 A 4 PHE HE% A 57 LYS HB3 1.0 0.0 2.94 548 461 A 4 PHE HE% A 57 LYS HG2 1.0 0.0 4.95 549 462 A 4 PHE HE% A 57 LYS HG3 1.0 0.0 4.95 550 463 A 4 PHE HE% A 54 ARG HG2 1.0 0.0 3.94 551 464 A 33 ILE HD1% A 21 HIS HD2 1.0 0.0 4.66 552 465 A 33 ILE HG2% A 21 HIS HD2 1.0 0.0 5.46 553 466 A 23 THR HG2% A 21 HIS HD2 1.0 0.0 5.50 554 467 A 27 PHE HD% A 30 LEU HD1% 1.0 0.0 3.79 555 467 A 30 LEU HD2% A 27 PHE HD% 1.0 0.0 3.79 556 468 A 27 PHE HD% A 26 PRO HG2 1.0 0.0 5.50 557 468 A 26 PRO HG3 A 27 PHE HD% 1.0 0.0 5.50 558 469 A 18 PHE HD% A 17 LYS HB3 1.0 0.0 4.11 559 470 A 18 PHE HD% A 17 LYS HB2 1.0 0.0 4.11 560 471 A 18 PHE HD% A 17 LYS HD2 1.0 0.0 4.75 561 471 A 17 LYS HD3 A 18 PHE HD% 1.0 0.0 4.75 562 472 A 18 PHE HD% A 40 SER HB2 1.0 0.0 5.13 563 472 A 40 SER HB3 A 18 PHE HD% 1.0 0.0 5.13 564 473 A 18 PHE HD% A 51 SER HB2 1.0 0.0 3.74 565 473 A 51 SER HB3 A 18 PHE HD% 1.0 0.0 3.74 566 474 A 17 LYS HA A 18 PHE HD% 1.0 0.0 4.82 567 475 A 16 MET HA A 18 PHE HD% 1.0 0.0 5.19 568 476 A 40 SER HA A 18 PHE HD% 1.0 0.0 3.58 569 477 A 18 PHE HD% A 39 SER HA 1.0 0.0 4.20 570 478 A 18 PHE HD% A 51 SER HA 1.0 0.0 4.64 571 479 A 50 CYS HA A 18 PHE HD% 1.0 0.0 5.50 572 480 A 49 CYS HA A 18 PHE HD% 1.0 0.0 5.27 573 481 A 20 TYR HD% A 36 GLY H 1.0 0.0 4.63 574 482 A 19 CYS HA A 20 TYR HD% 1.0 0.0 4.59 575 483 A 20 TYR HD% A 21 HIS HA 1.0 0.0 4.23 576 484 A 38 SER HA A 20 TYR HD% 1.0 0.0 4.51 577 485 A 20 TYR HD% A 35 GLN HA 1.0 0.0 4.01 578 486 A 57 LYS H A 55 CYS HA 1.0 0.0 4.34 579 487 A 20 TYR HD% A 38 SER HB2 1.0 0.0 3.86 580 488 A 20 TYR HD% A 36 GLY HA2 1.0 0.0 4.48 581 488 A 20 TYR HD% A 36 GLY HA3 1.0 0.0 4.48 582 489 A 20 TYR HD% A 38 SER HB3 1.0 0.0 3.86 583 490 A 20 TYR HD% A 34 LEU HB2 1.0 0.0 4.27 584 490 A 34 LEU HB3 A 20 TYR HD% 1.0 0.0 4.27 585 491 A 57 LYS H A 57 LYS HB2 1.0 0.0 2.87 586 491 A 57 LYS H A 57 LYS HB3 1.0 0.0 2.87 587 492 A 57 LYS H A 57 LYS HG2 1.0 0.0 3.97 588 493 A 57 LYS H A 57 LYS HG3 1.0 0.0 3.97 589 494 A 10 VAL HG2% A 5 GLN HE22 1.0 0.0 5.09 590 495 A 10 VAL HG2% A 4 PHE HD% 1.0 0.0 5.50 591 496 A 4 PHE HD% A 54 ARG HG2 1.0 0.0 5.50 592 497 A 10 VAL HG1% A 4 PHE HD% 1.0 0.0 5.50 593 498 A 4 PHE HD% A 57 LYS HG3 1.0 0.0 5.50 594 499 A 4 PHE HD% A 57 LYS HG2 1.0 0.0 5.50 595 500 A 4 PHE HD% A 57 LYS HB2 1.0 0.0 3.55 596 500 A 4 PHE HD% A 57 LYS HB3 1.0 0.0 3.55 597 501 A 4 PHE HD% A 54 ARG HB2 1.0 0.0 4.25 598 501 A 54 ARG HB3 A 4 PHE HD% 1.0 0.0 4.25 599 502 A 3 CYS HB3 A 4 PHE HD% 1.0 0.0 5.02 600 503 A 4 PHE HD% A 57 LYS HA 1.0 0.0 3.52 601 504 A 4 PHE HD% A 54 ARG HA 1.0 0.0 3.64 602 505 A 9 VAL HA A 4 PHE HD% 1.0 0.0 4.29 603 506 A 8 LYS HA A 4 PHE HD% 1.0 0.0 4.10 604 507 A 3 CYS HA A 4 PHE HD% 1.0 0.0 4.88 605 508 A 37 CYS HA A 20 TYR HE% 1.0 0.0 4.96 606 509 A 20 TYR HE% A 36 GLY H 1.0 0.0 4.95 607 510 A 20 TYR HE% A 21 HIS HA 1.0 0.0 5.50 608 511 A 38 SER HA A 20 TYR HE% 1.0 0.0 4.79 609 512 A 20 TYR HE% A 35 GLN HA 1.0 0.0 4.18 610 513 A 20 TYR HE% A 38 SER HB2 1.0 0.0 5.03 611 514 A 20 TYR HE% A 36 GLY HA2 1.0 0.0 3.49 612 514 A 20 TYR HE% A 36 GLY HA3 1.0 0.0 3.49 613 515 A 20 TYR HE% A 38 SER HB3 1.0 0.0 5.03 614 516 A 20 TYR HE% A 34 LEU HB2 1.0 0.0 3.01 615 516 A 34 LEU HB3 A 20 TYR HE% 1.0 0.0 3.01 616 517 A 20 TYR HE% A 34 LEU HG 1.0 0.0 5.50 617 518 A 20 TYR HE% A 34 LEU HD1% 1.0 0.0 3.74 618 518 A 34 LEU HD2% A 20 TYR HE% 1.0 0.0 3.74 619 519 A 37 CYS HA A 36 GLY HA2 1.0 0.0 4.54 620 519 A 37 CYS HA A 36 GLY HA3 1.0 0.0 4.54 621 520 A 21 HIS HB3 A 47 ASN HA 1.0 0.0 5.32 622 521 A 22 ASN HB2 A 47 ASN HA 1.0 0.0 5.18 623 522 A 3 CYS HA A 54 ARG HA 1.0 0.0 3.48 624 523 A 5 GLN HA A 36 GLY HA2 1.0 0.0 3.42 625 523 A 5 GLN HA A 36 GLY HA3 1.0 0.0 3.42 626 524 A 11 THR HB A 10 VAL HA 1.0 0.0 4.91 627 525 A 35 GLN HA A 36 GLY HA2 1.0 0.0 4.30 628 525 A 35 GLN HA A 36 GLY HA3 1.0 0.0 4.30 629 526 A 14 ARG HA A 13 HIS HA 1.0 0.0 4.43 630 527 A 45 GLU HA A 44 THR HA 1.0 0.0 5.50 631 528 A 4 PHE HA A 9 VAL HA 1.0 0.0 3.07 632 529 A 9 VAL HA A 8 LYS HA 1.0 0.0 4.45 633 530 A 50 CYS HA A 49 CYS HB2 1.0 0.0 4.69 634 530 A 49 CYS HB3 A 50 CYS HA 1.0 0.0 4.69 635 531 A 19 CYS HB2 A 49 CYS HA 1.0 0.0 5.47 636 532 A 20 TYR HA A 19 CYS HB3 1.0 0.0 5.29 637 533 A 19 CYS HB3 A 36 GLY H 1.0 0.0 5.50 638 534 A 16 MET HG3 A 37 CYS HA 1.0 0.0 5.01 639 535 A 3 CYS HA A 54 ARG HB2 1.0 0.0 5.50 640 535 A 54 ARG HB3 A 3 CYS HA 1.0 0.0 5.50 641 536 A 53 ASP HA A 54 ARG HB2 1.0 0.0 5.50 642 536 A 53 ASP HA A 54 ARG HB3 1.0 0.0 5.50 643 537 A 16 MET HB3 A 16 MET HG2 1.0 0.0 2.88 644 538 A 12 CYS HB3 A 16 MET HB3 1.0 0.0 4.23 645 539 A 37 CYS HB2 A 16 MET HB3 1.0 0.0 4.78 646 540 A 37 CYS HB2 A 16 MET HB2 1.0 0.0 3.96 647 541 A 9 VAL HA A 4 PHE HB2 1.0 0.0 5.45 648 542 A 22 ASN HB3 A 34 LEU HB2 1.0 0.0 3.25 649 542 A 22 ASN HB3 A 34 LEU HB3 1.0 0.0 3.25 650 543 A 12 CYS HB3 A 16 MET HG3 1.0 0.0 4.36 651 544 A 37 CYS HB2 A 16 MET HG3 1.0 0.0 3.93 652 545 A 14 ARG HD2 A 14 ARG HG2 1.0 0.0 2.96 653 545 A 14 ARG HD3 A 14 ARG HG2 1.0 0.0 2.96 654 545 A 14 ARG HG3 A 14 ARG HD2 1.0 0.0 2.96 655 545 A 14 ARG HD3 A 14 ARG HG3 1.0 0.0 2.96 656 546 A 54 ARG HA A 57 LYS HB2 1.0 0.0 4.55 657 546 A 54 ARG HA A 57 LYS HB3 1.0 0.0 4.55 658 547 A 54 ARG HG2 A 9 VAL HG2% 1.0 0.0 4.10 659 548 A 51 SER HB3 A 1 LEU HD2% 1.0 0.0 5.50 660 548 A 1 LEU HD2% A 51 SER HB2 1.0 0.0 5.50 661 549 A 33 ILE HD1% A 23 THR HA 1.0 0.0 5.35 662 550 A 33 ILE HD1% A 35 GLN HA 1.0 0.0 5.50 663 551 A 34 LEU HA A 34 LEU HD1% 1.0 0.0 4.74 664 551 A 34 LEU HA A 34 LEU HD2% 1.0 0.0 4.74 665 552 A 10 VAL HG1% A 10 VAL HA 1.0 0.0 3.15 666 553 A 12 CYS HB2 A 1 LEU HB2 1.0 0.0 3.59 667 553 A 12 CYS HB2 A 1 LEU HB3 1.0 0.0 3.59 668 554 A 5 GLN HG3 A 36 GLY HA2 1.0 0.0 4.07 669 554 A 36 GLY HA3 A 5 GLN HG2 1.0 0.0 4.07 670 554 A 5 GLN HG3 A 36 GLY HA3 1.0 0.0 4.07 671 554 A 5 GLN HG2 A 36 GLY HA2 1.0 0.0 4.07 672 555 A 54 ARG HB3 A 54 ARG HD3 1.0 0.0 3.54 673 555 A 54 ARG HB2 A 54 ARG HD3 1.0 0.0 3.54 674 556 A 18 PHE HB3 A 38 SER H 1.0 0.0 4.78 675 557 A 4 PHE H A 10 VAL HG2% 1.0 0.0 5.50 676 558 A 4 PHE H A 54 ARG HG2 1.0 0.0 5.50 677 559 A 54 ARG H A 9 VAL HG2% 1.0 0.0 5.50 678 560 A 21 HIS H A 49 CYS HA 1.0 0.0 4.60 679 561 A 56 ASN HD21 A 36 GLY H 1.0 0.0 3.94 680 562 A 56 ASN HD22 A 36 GLY HA2 1.0 0.0 4.18 681 562 A 36 GLY HA3 A 56 ASN HD22 1.0 0.0 4.18 682 563 A 19 CYS HA A 56 ASN HD22 1.0 0.0 5.50 683 564 A 19 CYS HA A 56 ASN HD21 1.0 0.0 5.50 684 565 A 52 THR H A 50 CYS HA 1.0 0.0 5.00 685 566 A 17 LYS H A 39 SER HA 1.0 0.0 3.32 686 567 A 16 MET H A 14 ARG HA 1.0 0.0 4.22 687 568 A 5 GLN HE21 A 36 GLY HA2 1.0 0.0 5.49 688 568 A 5 GLN HE21 A 36 GLY HA3 1.0 0.0 5.49 689 569 A 47 ASN H A 45 GLU HA 1.0 0.0 5.29 690 570 A 47 ASN H A 44 THR HA 1.0 0.0 5.41 691 571 A 40 SER HA A 18 PHE HE% 1.0 0.0 3.96 692 572 A 8 LYS HA A 4 PHE HE% 1.0 0.0 5.43 693 573 A 52 THR H A 55 CYS HB2 1.0 0.0 4.31 694 574 A 16 MET HG3 A 17 LYS H 1.0 0.0 4.33 695 575 A 17 LYS H A 16 MET HG2 1.0 0.0 5.50 696 576 A 16 MET HB3 A 17 LYS H 1.0 0.0 5.00 697 577 A 16 MET HB2 A 17 LYS H 1.0 0.0 4.62 698 578 A 54 ARG HE A 54 ARG HB2 1.0 0.0 3.92 699 578 A 54 ARG HB3 A 54 ARG HE 1.0 0.0 3.92 700 579 A 54 ARG HE A 9 VAL HG2% 1.0 0.0 5.50 701 580 A 9 VAL H A 9 VAL HG2% 1.0 0.0 3.99 702 581 A 18 PHE HD% A 49 CYS HB2 1.0 0.0 3.37 703 581 A 49 CYS HB3 A 18 PHE HD% 1.0 0.0 3.37 704 582 A 35 GLN HE22 A 4 PHE HB3 1.0 0.0 4.51 705 583 A 35 GLN HE22 A 4 PHE HB2 1.0 0.0 4.51 706 584 A 36 GLY H A 21 HIS HA 1.0 0.0 4.99 707 585 A 3 CYS HB2 A 19 CYS HA 1.0 0.0 5.13 708 586 A 16 MET HG3 A 19 CYS HA 1.0 0.0 5.50 709 587 A 49 CYS HA A 20 TYR HB3 1.0 0.0 4.88 710 588 A 18 PHE HB3 A 49 CYS HA 1.0 0.0 4.68 711 589 A 50 CYS H A 18 PHE HD% 1.0 0.0 4.44 712 590 A 6 HIS H A 7 GLY H 1.0 0.0 4.27 713 591 A 16 MET HG3 A 39 SER HA 1.0 0.0 4.08 714 592 A 22 ASN H A 21 HIS HA 1.0 0.0 3.17 715 593 A 21 HIS HB3 A 21 HIS HD2 1.0 0.0 3.96 716 594 A 34 LEU H A 33 ILE HG12 1.0 0.0 5.32 717 594 A 34 LEU H A 33 ILE HG13 1.0 0.0 5.32 718 595 A 33 ILE HB A 34 LEU H 1.0 0.0 4.69 719 596 A 44 THR HG2% A 45 GLU H 1.0 0.0 3.89 720 597 A 49 CYS HA A 20 TYR HA 1.0 0.0 3.46 721 598 A 22 ASN HA A 47 ASN HA 1.0 0.0 3.30 722 599 A 37 CYS HA A 19 CYS HA 1.0 0.0 3.49 723 600 A 19 CYS HA A 36 GLY HA2 1.0 0.0 5.32 724 600 A 19 CYS HA A 36 GLY HA3 1.0 0.0 5.32 725 601 A 56 ASN HD21 A 35 GLN HB2 1.0 0.0 4.64 726 602 A 56 ASN HD21 A 35 GLN HB3 1.0 0.0 4.64 727 603 A 36 GLY H A 56 ASN HB2 1.0 0.0 5.50 728 604 A 36 GLY H A 56 ASN HB3 1.0 0.0 5.50 729 605 A 56 ASN HD21 A 21 HIS HA 1.0 0.0 5.50 730 606 A 35 GLN H A 21 HIS HA 1.0 0.0 5.50 731 607 A 44 THR HG2% A 47 ASN HB3 1.0 0.0 4.21 732 608 A 5 GLN H A 4 PHE HB3 1.0 0.0 4.53 733 609 A 56 ASN HD22 A 4 PHE HB2 1.0 0.0 4.52 734 610 A 56 ASN HD22 A 4 PHE HB3 1.0 0.0 4.52 735 611 A 22 ASN HB2 A 20 TYR HD% 1.0 0.0 3.96 736 612 A 37 CYS HA A 20 TYR HD% 1.0 0.0 4.34 737 613 A 6 HIS H A 6 HIS HB2 1.0 0.0 4.16 738 614 A 54 ARG HG3 A 9 VAL HG2% 1.0 0.0 4.72 739 615 A 54 ARG HB3 A 9 VAL HG2% 1.0 0.0 5.11 740 615 A 9 VAL HG2% A 54 ARG HB2 1.0 0.0 5.11 741 616 A 9 VAL HG2% A 54 ARG HD3 1.0 0.0 4.82 742 617 A 54 ARG HD2 A 9 VAL HG2% 1.0 0.0 4.82 743 618 A 54 ARG HG2 A 9 VAL HG1% 1.0 0.0 4.10 744 619 A 54 ARG HG3 A 9 VAL HG1% 1.0 0.0 4.72 745 620 A 54 ARG HB3 A 9 VAL HG1% 1.0 0.0 5.11 746 620 A 9 VAL HG1% A 54 ARG HB2 1.0 0.0 5.11 747 621 A 9 VAL HG1% A 54 ARG HD3 1.0 0.0 4.82 748 622 A 9 VAL HG1% A 54 ARG HD2 1.0 0.0 4.82 749 623 A 23 THR HG2% A 46 ASN HA 1.0 0.0 5.30 750 624 A 23 THR HG2% A 33 ILE HD1% 1.0 0.0 5.50 751 625 A 10 VAL HG2% A 3 CYS HB2 1.0 0.0 4.63 752 626 A 10 VAL HG2% A 5 GLN HG2 1.0 0.0 4.32 753 626 A 5 GLN HG3 A 10 VAL HG2% 1.0 0.0 4.32 754 627 A 10 VAL HG2% A 3 CYS HB3 1.0 0.0 5.50 755 628 A 54 ARG HG2 A 54 ARG HA 1.0 0.0 3.70 756 629 A 10 VAL HG2% A 9 VAL HA 1.0 0.0 4.51 757 630 A 9 VAL HA A 54 ARG HG2 1.0 0.0 4.82 758 631 A 10 VAL HG2% A 36 GLY HA2 1.0 0.0 5.50 759 631 A 10 VAL HG2% A 36 GLY HA3 1.0 0.0 5.50 760 632 A 10 VAL HG2% A 5 GLN HA 1.0 0.0 4.89 761 633 A 10 VAL HG2% A 11 THR HA 1.0 0.0 5.30 762 634 A 10 VAL HG2% A 12 CYS HA 1.0 0.0 4.71 763 635 A 10 VAL HG2% A 2 LYS HA 1.0 0.0 5.08 764 636 A 3 CYS HA A 54 ARG HG2 1.0 0.0 5.47 765 637 A 44 THR HG2% A 47 ASN HB2 1.0 0.0 4.21 766 638 A 44 THR HG2% A 42 SER HB3 1.0 0.0 4.54 767 639 A 22 ASN HB3 A 34 LEU HD1% 1.0 0.0 4.04 768 639 A 22 ASN HB3 A 34 LEU HD2% 1.0 0.0 4.04 769 640 A 27 PHE HB2 A 30 LEU HG 1.0 0.0 4.64 770 641 A 22 ASN HB2 A 34 LEU HD1% 1.0 0.0 4.15 771 641 A 22 ASN HB2 A 34 LEU HD2% 1.0 0.0 4.15 772 642 A 30 LEU HG A 27 PHE HB3 1.0 0.0 4.78 773 643 A 27 PHE HB2 A 30 LEU HD1% 1.0 0.0 4.38 774 643 A 30 LEU HD2% A 27 PHE HB2 1.0 0.0 4.38 775 644 A 27 PHE HB3 A 30 LEU HD1% 1.0 0.0 4.55 776 644 A 30 LEU HD2% A 27 PHE HB3 1.0 0.0 4.55 777 645 A 44 THR HG2% A 42 SER HB2 1.0 0.0 4.54 778 646 A 30 LEU HG A 32 LEU HB2 1.0 0.0 4.66 779 646 A 32 LEU HB3 A 30 LEU HG 1.0 0.0 4.66 780 647 A 18 PHE H A 17 LYS HB2 1.0 0.0 4.37 781 648 A 18 PHE H A 17 LYS HB3 1.0 0.0 4.37 782 649 A 32 LEU H A 31 LYS HB2 1.0 0.0 4.64 783 649 A 31 LYS HB3 A 32 LEU H 1.0 0.0 4.64 784 650 A 16 MET HB3 A 12 CYS HA 1.0 0.0 4.94 785 651 A 13 HIS HA A 14 ARG HG2 1.0 0.0 4.33 786 651 A 14 ARG HG3 A 13 HIS HA 1.0 0.0 4.33 787 652 A 27 PHE HB2 A 26 PRO HA 1.0 0.0 4.58 788 653 A 50 CYS HA A 51 SER HB2 1.0 0.0 4.74 789 653 A 51 SER HB3 A 50 CYS HA 1.0 0.0 4.74 790 654 A 18 PHE HA A 51 SER HB2 1.0 0.0 4.94 791 654 A 51 SER HB3 A 18 PHE HA 1.0 0.0 4.94 792 655 A 52 THR HA A 51 SER HB2 1.0 0.0 5.42 793 655 A 51 SER HB3 A 52 THR HA 1.0 0.0 5.42 794 656 A 22 ASN HD21 A 34 LEU HB2 1.0 0.0 5.31 795 656 A 34 LEU HB3 A 22 ASN HD21 1.0 0.0 5.31 796 657 A 22 ASN HD21 A 34 LEU HD1% 1.0 0.0 4.72 797 657 A 34 LEU HD2% A 22 ASN HD21 1.0 0.0 4.72 798 658 A 19 CYS HB2 A 20 TYR H 1.0 0.0 5.50 799 659 A 18 PHE HB3 A 50 CYS H 1.0 0.0 4.15 800 660 A 20 TYR HB2 A 48 LYS H 1.0 0.0 5.48 801 661 A 49 CYS HA A 20 TYR HB2 1.0 0.0 5.50 802 662 A 35 GLN HA A 21 HIS HA 1.0 0.0 3.58 803 663 A 23 THR H A 22 ASN HB3 1.0 0.0 4.80 804 664 A 22 ASN HB2 A 23 THR H 1.0 0.0 4.40 805 665 A 10 VAL HG2% A 5 GLN HE21 1.0 0.0 4.92 806 666 A 2 LYS HA A 2 LYS HG2 1.0 0.0 4.17 807 667 A 2 LYS H A 2 LYS HG2 1.0 0.0 4.14 808 668 A 2 LYS HA A 1 LEU HA 1.0 0.0 4.98 809 669 A 20 TYR HA A 19 CYS HA 1.0 0.0 5.50 810 670 A 23 THR HG2% A 22 ASN HA 1.0 0.0 4.98 811 671 A 21 HIS HA A 34 LEU HB2 1.0 0.0 5.50 812 671 A 34 LEU HB3 A 21 HIS HA 1.0 0.0 5.50 813 672 A 11 THR HA A 2 LYS HA 1.0 0.0 3.19 814 673 A 18 PHE HE% A 39 SER HA 1.0 0.0 5.50 815 674 A 4 PHE HE% A 54 ARG HA 1.0 0.0 4.02 816 675 A 4 PHE HE% A 57 LYS HA 1.0 0.0 4.00 817 676 A 30 LEU H A 28 ARG HA 1.0 0.0 4.93 818 677 A 10 VAL H A 9 VAL HB 1.0 0.0 4.55 819 678 A 1 LEU HG A 51 SER HB2 1.0 0.0 5.50 820 678 A 51 SER HB3 A 1 LEU HG 1.0 0.0 5.50 821 679 A 51 SER HB3 A 1 LEU HD1% 1.0 0.0 5.50 822 679 A 1 LEU HD1% A 51 SER HB2 1.0 0.0 5.50 823 680 A 17 LYS HA A 1 LEU HG 1.0 0.0 5.50 824 681 A 25 MET HA A 25 MET HE% 1.0 0.0 5.02 825 682 A 16 MET HG2 A 16 MET HE% 1.0 0.0 4.03 826 683 A 13 HIS HB2 A 16 MET HE% 1.0 0.0 4.09 827 684 A 13 HIS HB3 A 16 MET HE% 1.0 0.0 5.25 828 685 A 37 CYS HB2 A 16 MET HE% 1.0 0.0 5.50 829 686 A 16 MET HE% A 39 SER HB3 1.0 0.0 4.57 830 687 A 16 MET HE% A 39 SER HB2 1.0 0.0 4.57 831 688 A 16 MET HA A 16 MET HE% 1.0 0.0 3.90 832 689 A 39 SER HA A 16 MET HE% 1.0 0.0 4.96 833 690 A 38 SER HA A 16 MET HE% 1.0 0.0 3.85 834 691 A 16 MET H A 16 MET HE% 1.0 0.0 4.65 835 692 A 39 SER H A 16 MET HE% 1.0 0.0 4.19 836 693 A 13 HIS H A 16 MET HE% 1.0 0.0 5.48 837 694 A 15 ASP H A 16 MET HE% 1.0 0.0 4.90 838 695 A 16 MET HB3 A 13 HIS H 1.0 0.0 4.85 839 696 A 39 SER H A 16 MET HG2 1.0 0.0 5.50 840 697 A 18 PHE H A 16 MET HG3 1.0 0.0 4.47 841 698 A 18 PHE H A 16 MET HG2 1.0 0.0 5.50 842 699 A 18 PHE H A 16 MET HB3 1.0 0.0 5.50 843 700 A 10 VAL HG2% A 3 CYS H 1.0 0.0 3.85 844 701 A 19 CYS HB2 A 50 CYS H 1.0 0.0 4.90 845 702 A 22 ASN H A 20 TYR HD% 1.0 0.0 4.29 846 703 A 16 MET HB3 A 16 MET HE% 1.0 0.0 4.04 847 704 A 37 CYS HB2 A 16 MET HG2 1.0 0.0 4.88 848 705 A 16 MET HA A 16 MET HG2 1.0 0.0 3.75 849 706 A 38 SER HA A 16 MET HG2 1.0 0.0 3.87 850 707 A 38 SER H A 16 MET HG2 1.0 0.0 5.07 851 708 A 16 MET HB3 A 37 CYS HA 1.0 0.0 5.26 852 709 A 1 LEU HA A 1 LEU HD2% 1.0 0.0 3.10 853 709 A 1 LEU HA A 1 LEU HD1% 1.0 0.0 3.10 854 710 A 1 LEU HA A 2 LYS HG3 1.0 0.0 4.59 855 710 A 1 LEU HA A 2 LYS HG2 1.0 0.0 4.59 856 711 A 1 LEU HB3 A 1 LEU HD2% 1.0 0.0 2.53 857 711 A 1 LEU HB2 A 1 LEU HD2% 1.0 0.0 2.53 858 711 A 1 LEU HD1% A 1 LEU HB2 1.0 0.0 2.53 859 711 A 1 LEU HB3 A 1 LEU HD1% 1.0 0.0 2.53 860 712 A 2 LYS H A 1 LEU HD2% 1.0 0.0 3.53 861 712 A 2 LYS H A 1 LEU HD1% 1.0 0.0 3.53 862 713 A 2 LYS HA A 1 LEU HD2% 1.0 0.0 4.69 863 713 A 2 LYS HA A 1 LEU HD1% 1.0 0.0 4.69 864 714 A 12 CYS H A 1 LEU HD2% 1.0 0.0 5.44 865 714 A 12 CYS H A 1 LEU HD1% 1.0 0.0 5.44 866 715 A 12 CYS HB2 A 1 LEU HD2% 1.0 0.0 4.42 867 715 A 12 CYS HB2 A 1 LEU HD1% 1.0 0.0 4.42 868 716 A 17 LYS H A 1 LEU HD2% 1.0 0.0 5.17 869 716 A 17 LYS H A 1 LEU HD1% 1.0 0.0 5.17 870 717 A 17 LYS HA A 1 LEU HD2% 1.0 0.0 3.46 871 717 A 17 LYS HA A 1 LEU HD1% 1.0 0.0 3.46 872 718 A 1 LEU HD2% A 17 LYS HG2 1.0 0.0 5.44 873 718 A 1 LEU HD1% A 17 LYS HG2 1.0 0.0 5.44 874 718 A 17 LYS HG3 A 1 LEU HD2% 1.0 0.0 5.44 875 718 A 17 LYS HG3 A 1 LEU HD1% 1.0 0.0 5.44 876 719 A 18 PHE H A 1 LEU HD2% 1.0 0.0 3.95 877 719 A 18 PHE H A 1 LEU HD1% 1.0 0.0 3.95 878 720 A 18 PHE HA A 1 LEU HD2% 1.0 0.0 3.84 879 720 A 18 PHE HA A 1 LEU HD1% 1.0 0.0 3.84 880 721 A 18 PHE HD% A 1 LEU HD2% 1.0 0.0 4.89 881 721 A 18 PHE HD% A 1 LEU HD1% 1.0 0.0 4.89 882 722 A 19 CYS H A 1 LEU HD2% 1.0 0.0 3.86 883 722 A 19 CYS H A 1 LEU HD1% 1.0 0.0 3.86 884 723 A 19 CYS HA A 1 LEU HD2% 1.0 0.0 4.66 885 723 A 19 CYS HA A 1 LEU HD1% 1.0 0.0 4.66 886 724 A 37 CYS HA A 1 LEU HD2% 1.0 0.0 5.22 887 724 A 37 CYS HA A 1 LEU HD1% 1.0 0.0 5.22 888 725 A 38 SER H A 1 LEU HD2% 1.0 0.0 5.44 889 725 A 38 SER H A 1 LEU HD1% 1.0 0.0 5.44 890 726 A 51 SER HA A 1 LEU HD2% 1.0 0.0 3.92 891 726 A 51 SER HA A 1 LEU HD1% 1.0 0.0 3.92 892 727 A 1 LEU HD1% A 51 SER HB2 1.0 0.0 4.68 893 727 A 1 LEU HD2% A 51 SER HB2 1.0 0.0 4.68 894 727 A 51 SER HB3 A 1 LEU HD2% 1.0 0.0 4.68 895 727 A 51 SER HB3 A 1 LEU HD1% 1.0 0.0 4.68 896 728 A 52 THR H A 1 LEU HD2% 1.0 0.0 3.76 897 728 A 52 THR H A 1 LEU HD1% 1.0 0.0 3.76 898 729 A 52 THR HA A 1 LEU HD2% 1.0 0.0 3.79 899 729 A 52 THR HA A 1 LEU HD1% 1.0 0.0 3.79 900 730 A 52 THR HB A 1 LEU HD2% 1.0 0.0 5.44 901 730 A 52 THR HB A 1 LEU HD1% 1.0 0.0 5.44 902 731 A 53 ASP H A 1 LEU HD2% 1.0 0.0 3.52 903 731 A 53 ASP H A 1 LEU HD1% 1.0 0.0 3.52 904 732 A 53 ASP HA A 1 LEU HD2% 1.0 0.0 3.26 905 732 A 53 ASP HA A 1 LEU HD1% 1.0 0.0 3.26 906 733 A 54 ARG H A 1 LEU HD2% 1.0 0.0 4.32 907 733 A 54 ARG H A 1 LEU HD1% 1.0 0.0 4.32 908 734 A 54 ARG HA A 1 LEU HD2% 1.0 0.0 5.44 909 734 A 54 ARG HA A 1 LEU HD1% 1.0 0.0 5.44 910 735 A 55 CYS H A 1 LEU HD2% 1.0 0.0 4.50 911 735 A 55 CYS H A 1 LEU HD1% 1.0 0.0 4.50 912 736 A 2 LYS H A 2 LYS HB2 1.0 0.0 3.54 913 736 A 2 LYS H A 2 LYS HB3 1.0 0.0 3.54 914 737 A 2 LYS H A 2 LYS HG3 1.0 0.0 3.36 915 737 A 2 LYS H A 2 LYS HG2 1.0 0.0 3.36 916 738 A 2 LYS HA A 2 LYS HG3 1.0 0.0 3.51 917 738 A 2 LYS HA A 2 LYS HG2 1.0 0.0 3.51 918 739 A 2 LYS HA A 9 VAL HG2% 1.0 0.0 4.57 919 739 A 2 LYS HA A 9 VAL HG1% 1.0 0.0 4.57 920 740 A 3 CYS H A 2 LYS HB2 1.0 0.0 4.03 921 740 A 3 CYS H A 2 LYS HB3 1.0 0.0 4.03 922 741 A 3 CYS HA A 2 LYS HB2 1.0 0.0 5.03 923 741 A 3 CYS HA A 2 LYS HB3 1.0 0.0 5.03 924 742 A 2 LYS HB2 A 9 VAL HG2% 1.0 0.0 2.87 925 742 A 2 LYS HB3 A 9 VAL HG2% 1.0 0.0 2.87 926 742 A 9 VAL HG1% A 2 LYS HB2 1.0 0.0 2.87 927 742 A 2 LYS HB3 A 9 VAL HG1% 1.0 0.0 2.87 928 743 A 10 VAL H A 2 LYS HB2 1.0 0.0 4.56 929 743 A 10 VAL H A 2 LYS HB3 1.0 0.0 4.56 930 744 A 11 THR HA A 2 LYS HB2 1.0 0.0 3.99 931 744 A 11 THR HA A 2 LYS HB3 1.0 0.0 3.99 932 745 A 12 CYS H A 2 LYS HB2 1.0 0.0 5.21 933 745 A 12 CYS H A 2 LYS HB3 1.0 0.0 5.21 934 746 A 53 ASP HA A 2 LYS HB2 1.0 0.0 5.34 935 746 A 53 ASP HA A 2 LYS HB3 1.0 0.0 5.34 936 747 A 2 LYS HB2 A 53 ASP HB2 1.0 0.0 4.45 937 747 A 53 ASP HB3 A 2 LYS HB2 1.0 0.0 4.45 938 747 A 2 LYS HB3 A 53 ASP HB3 1.0 0.0 4.45 939 747 A 2 LYS HB3 A 53 ASP HB2 1.0 0.0 4.45 940 748 A 54 ARG H A 2 LYS HB2 1.0 0.0 4.90 941 748 A 54 ARG H A 2 LYS HB3 1.0 0.0 4.90 942 749 A 2 LYS HG2 A 9 VAL HG2% 1.0 0.0 4.02 943 749 A 2 LYS HG3 A 9 VAL HG2% 1.0 0.0 4.02 944 749 A 9 VAL HG1% A 2 LYS HG3 1.0 0.0 4.02 945 749 A 2 LYS HG2 A 9 VAL HG1% 1.0 0.0 4.02 946 750 A 11 THR HA A 2 LYS HG3 1.0 0.0 4.75 947 750 A 11 THR HA A 2 LYS HG2 1.0 0.0 4.75 948 751 A 53 ASP HA A 2 LYS HG3 1.0 0.0 4.46 949 751 A 53 ASP HA A 2 LYS HG2 1.0 0.0 4.46 950 752 A 2 LYS HG2 A 53 ASP HB2 1.0 0.0 3.15 951 752 A 2 LYS HG3 A 53 ASP HB2 1.0 0.0 3.15 952 752 A 53 ASP HB3 A 2 LYS HG3 1.0 0.0 3.15 953 752 A 2 LYS HG2 A 53 ASP HB3 1.0 0.0 3.15 954 753 A 3 CYS H A 9 VAL HG2% 1.0 0.0 3.98 955 753 A 3 CYS H A 9 VAL HG1% 1.0 0.0 3.98 956 754 A 4 PHE H A 9 VAL HG2% 1.0 0.0 5.44 957 754 A 4 PHE H A 9 VAL HG1% 1.0 0.0 5.44 958 755 A 4 PHE HA A 9 VAL HG2% 1.0 0.0 4.42 959 755 A 4 PHE HA A 9 VAL HG1% 1.0 0.0 4.42 960 756 A 5 GLN H A 4 PHE HB3 1.0 0.0 3.87 961 756 A 5 GLN H A 4 PHE HB2 1.0 0.0 3.87 962 757 A 4 PHE HB2 A 7 GLY HA2 1.0 0.0 4.96 963 757 A 4 PHE HB3 A 7 GLY HA2 1.0 0.0 4.96 964 757 A 7 GLY HA3 A 4 PHE HB3 1.0 0.0 4.96 965 757 A 4 PHE HB2 A 7 GLY HA3 1.0 0.0 4.96 966 758 A 8 LYS H A 4 PHE HB3 1.0 0.0 5.34 967 758 A 8 LYS H A 4 PHE HB2 1.0 0.0 5.34 968 759 A 9 VAL H A 4 PHE HB3 1.0 0.0 5.34 969 759 A 9 VAL H A 4 PHE HB2 1.0 0.0 5.34 970 760 A 9 VAL HA A 4 PHE HB3 1.0 0.0 4.70 971 760 A 9 VAL HA A 4 PHE HB2 1.0 0.0 4.70 972 761 A 35 GLN HE22 A 4 PHE HB3 1.0 0.0 3.44 973 761 A 35 GLN HE21 A 4 PHE HB3 1.0 0.0 3.44 974 761 A 35 GLN HE22 A 4 PHE HB2 1.0 0.0 3.44 975 761 A 35 GLN HE21 A 4 PHE HB2 1.0 0.0 3.44 976 762 A 56 ASN HD22 A 4 PHE HB3 1.0 0.0 3.92 977 762 A 56 ASN HD22 A 4 PHE HB2 1.0 0.0 3.92 978 763 A 4 PHE HD% A 7 GLY HA2 1.0 0.0 4.18 979 763 A 4 PHE HD% A 7 GLY HA3 1.0 0.0 4.18 980 764 A 4 PHE HD% A 9 VAL HG2% 1.0 0.0 3.51 981 764 A 4 PHE HD% A 9 VAL HG1% 1.0 0.0 3.51 982 765 A 4 PHE HD% A 57 LYS HG3 1.0 0.0 4.71 983 765 A 4 PHE HD% A 57 LYS HG2 1.0 0.0 4.71 984 766 A 4 PHE HE% A 9 VAL HG2% 1.0 0.0 3.08 985 766 A 4 PHE HE% A 9 VAL HG1% 1.0 0.0 3.08 986 767 A 4 PHE HE% A 57 LYS HG3 1.0 0.0 4.16 987 767 A 4 PHE HE% A 57 LYS HG2 1.0 0.0 4.16 988 768 A 5 GLN H A 5 GLN HB3 1.0 0.0 3.08 989 768 A 5 GLN H A 5 GLN HB2 1.0 0.0 3.08 990 769 A 5 GLN H A 9 VAL HG2% 1.0 0.0 5.44 991 769 A 5 GLN H A 9 VAL HG1% 1.0 0.0 5.44 992 770 A 5 GLN HB3 A 5 GLN HG2 1.0 0.0 2.38 993 770 A 5 GLN HB2 A 5 GLN HG2 1.0 0.0 2.38 994 770 A 5 GLN HG3 A 5 GLN HB3 1.0 0.0 2.38 995 770 A 5 GLN HG3 A 5 GLN HB2 1.0 0.0 2.38 996 771 A 5 GLN HE21 A 5 GLN HB3 1.0 0.0 3.52 997 771 A 5 GLN HE21 A 5 GLN HB2 1.0 0.0 3.52 998 772 A 5 GLN HE22 A 5 GLN HB3 1.0 0.0 3.94 999 772 A 5 GLN HE22 A 5 GLN HB2 1.0 0.0 3.94 1000 773 A 6 HIS H A 5 GLN HB3 1.0 0.0 3.28 1001 773 A 6 HIS H A 5 GLN HB2 1.0 0.0 3.28 1002 774 A 10 VAL HG1% A 5 GLN HB3 1.0 0.0 3.81 1003 774 A 10 VAL HG1% A 5 GLN HB2 1.0 0.0 3.81 1004 775 A 10 VAL HG2% A 5 GLN HB3 1.0 0.0 3.22 1005 775 A 10 VAL HG2% A 5 GLN HB2 1.0 0.0 3.22 1006 776 A 5 GLN HB3 A 36 GLY HA2 1.0 0.0 3.85 1007 776 A 5 GLN HB2 A 36 GLY HA2 1.0 0.0 3.85 1008 776 A 36 GLY HA3 A 5 GLN HB3 1.0 0.0 3.85 1009 776 A 36 GLY HA3 A 5 GLN HB2 1.0 0.0 3.85 1010 777 A 6 HIS H A 6 HIS HB3 1.0 0.0 3.64 1011 777 A 6 HIS H A 6 HIS HB2 1.0 0.0 3.64 1012 778 A 8 LYS H A 6 HIS HB3 1.0 0.0 5.34 1013 778 A 8 LYS H A 6 HIS HB2 1.0 0.0 5.34 1014 779 A 8 LYS H A 8 LYS HB2 1.0 0.0 3.08 1015 779 A 8 LYS H A 8 LYS HB3 1.0 0.0 3.08 1016 780 A 8 LYS HA A 9 VAL HG2% 1.0 0.0 4.11 1017 780 A 8 LYS HA A 9 VAL HG1% 1.0 0.0 4.11 1018 781 A 9 VAL H A 8 LYS HB2 1.0 0.0 3.19 1019 781 A 9 VAL H A 8 LYS HB3 1.0 0.0 3.19 1020 782 A 9 VAL H A 9 VAL HG2% 1.0 0.0 3.12 1021 782 A 9 VAL H A 9 VAL HG1% 1.0 0.0 3.12 1022 783 A 10 VAL H A 9 VAL HG2% 1.0 0.0 3.32 1023 783 A 10 VAL H A 9 VAL HG1% 1.0 0.0 3.32 1024 784 A 10 VAL HA A 9 VAL HG2% 1.0 0.0 4.05 1025 784 A 10 VAL HA A 9 VAL HG1% 1.0 0.0 4.05 1026 785 A 54 ARG HA A 9 VAL HG2% 1.0 0.0 4.62 1027 785 A 54 ARG HA A 9 VAL HG1% 1.0 0.0 4.62 1028 786 A 9 VAL HG2% A 54 ARG HB2 1.0 0.0 4.42 1029 786 A 9 VAL HG1% A 54 ARG HB2 1.0 0.0 4.42 1030 786 A 54 ARG HB3 A 9 VAL HG2% 1.0 0.0 4.42 1031 786 A 54 ARG HB3 A 9 VAL HG1% 1.0 0.0 4.42 1032 787 A 54 ARG HG2 A 9 VAL HG2% 1.0 0.0 3.53 1033 787 A 54 ARG HG2 A 9 VAL HG1% 1.0 0.0 3.53 1034 788 A 54 ARG HG3 A 9 VAL HG2% 1.0 0.0 3.98 1035 788 A 54 ARG HG3 A 9 VAL HG1% 1.0 0.0 3.98 1036 789 A 9 VAL HG2% A 54 ARG HD3 1.0 0.0 3.47 1037 789 A 9 VAL HG1% A 54 ARG HD3 1.0 0.0 3.47 1038 789 A 54 ARG HD2 A 9 VAL HG2% 1.0 0.0 3.47 1039 789 A 9 VAL HG1% A 54 ARG HD2 1.0 0.0 3.47 1040 790 A 54 ARG HE A 9 VAL HG2% 1.0 0.0 4.44 1041 790 A 54 ARG HE A 9 VAL HG1% 1.0 0.0 4.44 1042 791 A 16 MET H A 15 ASP HB2 1.0 0.0 3.95 1043 791 A 16 MET H A 15 ASP HB3 1.0 0.0 3.95 1044 792 A 16 MET HE% A 15 ASP HB2 1.0 0.0 3.48 1045 792 A 16 MET HE% A 15 ASP HB3 1.0 0.0 3.48 1046 793 A 17 LYS H A 15 ASP HB2 1.0 0.0 5.34 1047 793 A 17 LYS H A 15 ASP HB3 1.0 0.0 5.34 1048 794 A 39 SER H A 15 ASP HB2 1.0 0.0 5.34 1049 794 A 39 SER H A 15 ASP HB3 1.0 0.0 5.34 1050 795 A 15 ASP HB3 A 39 SER HB3 1.0 0.0 4.24 1051 795 A 39 SER HB2 A 15 ASP HB2 1.0 0.0 4.24 1052 795 A 15 ASP HB3 A 39 SER HB2 1.0 0.0 4.24 1053 795 A 15 ASP HB2 A 39 SER HB3 1.0 0.0 4.24 1054 796 A 16 MET HA A 39 SER HB3 1.0 0.0 5.00 1055 796 A 16 MET HA A 39 SER HB2 1.0 0.0 5.00 1056 797 A 16 MET HG3 A 39 SER HB3 1.0 0.0 4.60 1057 797 A 16 MET HG3 A 39 SER HB2 1.0 0.0 4.60 1058 798 A 16 MET HE% A 38 SER HB3 1.0 0.0 5.34 1059 798 A 16 MET HE% A 38 SER HB2 1.0 0.0 5.34 1060 799 A 16 MET HE% A 39 SER HB3 1.0 0.0 3.82 1061 799 A 16 MET HE% A 39 SER HB2 1.0 0.0 3.82 1062 800 A 17 LYS H A 17 LYS HB2 1.0 0.0 3.18 1063 800 A 17 LYS H A 17 LYS HB3 1.0 0.0 3.18 1064 801 A 17 LYS H A 39 SER HB3 1.0 0.0 4.60 1065 801 A 17 LYS H A 39 SER HB2 1.0 0.0 4.60 1066 802 A 18 PHE H A 17 LYS HB2 1.0 0.0 3.75 1067 802 A 18 PHE H A 17 LYS HB3 1.0 0.0 3.75 1068 803 A 18 PHE HD% A 17 LYS HB2 1.0 0.0 3.48 1069 803 A 18 PHE HD% A 17 LYS HB3 1.0 0.0 3.48 1070 804 A 18 PHE HE% A 17 LYS HB2 1.0 0.0 3.48 1071 804 A 18 PHE HE% A 17 LYS HB3 1.0 0.0 3.48 1072 805 A 39 SER HA A 17 LYS HB2 1.0 0.0 3.96 1073 805 A 39 SER HA A 17 LYS HB3 1.0 0.0 3.96 1074 806 A 18 PHE HD% A 38 SER HB3 1.0 0.0 5.34 1075 806 A 18 PHE HD% A 38 SER HB2 1.0 0.0 5.34 1076 807 A 18 PHE HD% A 39 SER HB3 1.0 0.0 5.34 1077 807 A 18 PHE HD% A 39 SER HB2 1.0 0.0 5.34 1078 808 A 18 PHE HD% A 41 CYS HB2 1.0 0.0 3.63 1079 808 A 18 PHE HD% A 41 CYS HB3 1.0 0.0 3.63 1080 809 A 19 CYS HA A 56 ASN HB2 1.0 0.0 5.34 1081 809 A 19 CYS HA A 56 ASN HB3 1.0 0.0 5.34 1082 810 A 19 CYS HB3 A 56 ASN HB2 1.0 0.0 3.94 1083 810 A 19 CYS HB3 A 56 ASN HB3 1.0 0.0 3.94 1084 811 A 20 TYR HB2 A 47 ASN HD21 1.0 0.0 4.92 1085 811 A 20 TYR HB2 A 47 ASN HD22 1.0 0.0 4.92 1086 812 A 47 ASN HD21 A 20 TYR HB3 1.0 0.0 4.34 1087 812 A 47 ASN HD22 A 20 TYR HB3 1.0 0.0 4.34 1088 813 A 20 TYR HD% A 38 SER HB3 1.0 0.0 3.16 1089 813 A 20 TYR HD% A 38 SER HB2 1.0 0.0 3.16 1090 814 A 20 TYR HE% A 38 SER HB3 1.0 0.0 4.22 1091 814 A 20 TYR HE% A 38 SER HB2 1.0 0.0 4.22 1092 815 A 21 HIS HA A 35 GLN HG3 1.0 0.0 5.34 1093 815 A 21 HIS HA A 35 GLN HG2 1.0 0.0 5.34 1094 816 A 21 HIS HB3 A 48 LYS HB2 1.0 0.0 3.67 1095 816 A 21 HIS HB3 A 48 LYS HB3 1.0 0.0 3.67 1096 817 A 21 HIS HB3 A 48 LYS HG3 1.0 0.0 4.31 1097 817 A 21 HIS HB3 A 48 LYS HG2 1.0 0.0 4.31 1098 818 A 21 HIS HD2 A 35 GLN HB3 1.0 0.0 3.67 1099 818 A 21 HIS HD2 A 35 GLN HB2 1.0 0.0 3.67 1100 819 A 21 HIS HD2 A 35 GLN HG3 1.0 0.0 4.06 1101 819 A 21 HIS HD2 A 35 GLN HG2 1.0 0.0 4.06 1102 820 A 21 HIS HD2 A 35 GLN HE21 1.0 0.0 5.24 1103 820 A 21 HIS HD2 A 35 GLN HE22 1.0 0.0 5.24 1104 821 A 22 ASN H A 35 GLN HB3 1.0 0.0 5.34 1105 821 A 22 ASN H A 35 GLN HB2 1.0 0.0 5.34 1106 822 A 22 ASN HA A 47 ASN HB2 1.0 0.0 4.03 1107 822 A 22 ASN HA A 47 ASN HB3 1.0 0.0 4.03 1108 823 A 23 THR HA A 24 GLY HA3 1.0 0.0 5.34 1109 823 A 23 THR HA A 24 GLY HA2 1.0 0.0 5.34 1110 824 A 23 THR HG2% A 46 ASN HB2 1.0 0.0 4.96 1111 824 A 23 THR HG2% A 46 ASN HB3 1.0 0.0 4.96 1112 825 A 23 THR HG2% A 48 LYS HB2 1.0 0.0 4.81 1113 825 A 23 THR HG2% A 48 LYS HB3 1.0 0.0 4.81 1114 826 A 23 THR HG2% A 48 LYS HG3 1.0 0.0 5.34 1115 826 A 23 THR HG2% A 48 LYS HG2 1.0 0.0 5.34 1116 827 A 25 MET H A 24 GLY HA3 1.0 0.0 2.98 1117 827 A 25 MET H A 24 GLY HA2 1.0 0.0 2.98 1118 828 A 25 MET H A 25 MET HB2 1.0 0.0 3.14 1119 828 A 25 MET H A 25 MET HB3 1.0 0.0 3.14 1120 829 A 25 MET H A 25 MET HG3 1.0 0.0 3.53 1121 829 A 25 MET H A 25 MET HG2 1.0 0.0 3.53 1122 830 A 25 MET HA A 25 MET HG3 1.0 0.0 3.56 1123 830 A 25 MET HA A 25 MET HG2 1.0 0.0 3.56 1124 831 A 25 MET HA A 26 PRO HB2 1.0 0.0 5.23 1125 831 A 25 MET HA A 26 PRO HB3 1.0 0.0 5.23 1126 832 A 25 MET HA A 26 PRO HD2 1.0 0.0 2.90 1127 832 A 25 MET HA A 26 PRO HD3 1.0 0.0 2.90 1128 833 A 25 MET HE% A 26 PRO HD2 1.0 0.0 4.57 1129 833 A 25 MET HE% A 26 PRO HD3 1.0 0.0 4.57 1130 834 A 27 PHE H A 26 PRO HB2 1.0 0.0 3.78 1131 834 A 27 PHE H A 26 PRO HB3 1.0 0.0 3.78 1132 835 A 27 PHE H A 26 PRO HD2 1.0 0.0 4.96 1133 835 A 27 PHE H A 26 PRO HD3 1.0 0.0 4.96 1134 836 A 27 PHE HD% A 26 PRO HD2 1.0 0.0 5.32 1135 836 A 27 PHE HD% A 26 PRO HD3 1.0 0.0 5.32 1136 837 A 27 PHE HD% A 28 ARG HG3 1.0 0.0 5.34 1137 837 A 27 PHE HD% A 28 ARG HG2 1.0 0.0 5.34 1138 838 A 27 PHE HD% A 30 LEU HB3 1.0 0.0 4.21 1139 838 A 27 PHE HD% A 30 LEU HB2 1.0 0.0 4.21 1140 839 A 28 ARG H A 28 ARG HB2 1.0 0.0 3.18 1141 839 A 28 ARG H A 28 ARG HB3 1.0 0.0 3.18 1142 840 A 28 ARG H A 28 ARG HG3 1.0 0.0 3.91 1143 840 A 28 ARG H A 28 ARG HG2 1.0 0.0 3.91 1144 841 A 28 ARG HA A 28 ARG HG3 1.0 0.0 3.54 1145 841 A 28 ARG HA A 28 ARG HG2 1.0 0.0 3.54 1146 842 A 29 ASN HB2 A 29 ASN HD22 1.0 0.0 3.34 1147 842 A 29 ASN HB3 A 29 ASN HD22 1.0 0.0 3.34 1148 842 A 29 ASN HD21 A 29 ASN HB2 1.0 0.0 3.34 1149 842 A 29 ASN HB3 A 29 ASN HD21 1.0 0.0 3.34 1150 843 A 30 LEU H A 30 LEU HB3 1.0 0.0 3.00 1151 843 A 30 LEU H A 30 LEU HB2 1.0 0.0 3.00 1152 844 A 31 LYS H A 30 LEU HB3 1.0 0.0 4.01 1153 844 A 31 LYS H A 30 LEU HB2 1.0 0.0 4.01 1154 845 A 30 LEU HB3 A 32 LEU HB2 1.0 0.0 5.34 1155 845 A 30 LEU HB2 A 32 LEU HB2 1.0 0.0 5.34 1156 845 A 32 LEU HB3 A 30 LEU HB3 1.0 0.0 5.34 1157 845 A 32 LEU HB3 A 30 LEU HB2 1.0 0.0 5.34 1158 846 A 31 LYS H A 31 LYS HG3 1.0 0.0 4.23 1159 846 A 31 LYS H A 31 LYS HG2 1.0 0.0 4.23 1160 847 A 32 LEU H A 32 LEU HD1% 1.0 0.0 5.05 1161 847 A 32 LEU H A 32 LEU HD2% 1.0 0.0 5.05 1162 848 A 32 LEU HA A 32 LEU HD1% 1.0 0.0 3.57 1163 848 A 32 LEU HA A 32 LEU HD2% 1.0 0.0 3.57 1164 849 A 33 ILE H A 32 LEU HD1% 1.0 0.0 4.27 1165 849 A 33 ILE H A 32 LEU HD2% 1.0 0.0 4.27 1166 850 A 33 ILE HD1% A 35 GLN HB3 1.0 0.0 4.60 1167 850 A 33 ILE HD1% A 35 GLN HB2 1.0 0.0 4.60 1168 851 A 33 ILE HD1% A 35 GLN HG3 1.0 0.0 4.18 1169 851 A 33 ILE HD1% A 35 GLN HG2 1.0 0.0 4.18 1170 852 A 33 ILE HD1% A 35 GLN HE21 1.0 0.0 5.15 1171 852 A 33 ILE HD1% A 35 GLN HE22 1.0 0.0 5.15 1172 853 A 35 GLN H A 35 GLN HB3 1.0 0.0 3.26 1173 853 A 35 GLN H A 35 GLN HB2 1.0 0.0 3.26 1174 854 A 35 GLN H A 35 GLN HG3 1.0 0.0 3.25 1175 854 A 35 GLN H A 35 GLN HG2 1.0 0.0 3.25 1176 855 A 35 GLN HA A 35 GLN HG3 1.0 0.0 3.52 1177 855 A 35 GLN HA A 35 GLN HG2 1.0 0.0 3.52 1178 856 A 35 GLN HE21 A 35 GLN HB3 1.0 0.0 3.35 1179 856 A 35 GLN HE22 A 35 GLN HB3 1.0 0.0 3.35 1180 856 A 35 GLN HE21 A 35 GLN HB2 1.0 0.0 3.35 1181 856 A 35 GLN HE22 A 35 GLN HB2 1.0 0.0 3.35 1182 857 A 56 ASN HD22 A 35 GLN HB3 1.0 0.0 4.38 1183 857 A 56 ASN HD22 A 35 GLN HB2 1.0 0.0 4.38 1184 858 A 35 GLN HE21 A 35 GLN HG2 1.0 0.0 3.10 1185 858 A 35 GLN HE21 A 35 GLN HG3 1.0 0.0 3.10 1186 858 A 35 GLN HE22 A 35 GLN HG2 1.0 0.0 3.10 1187 858 A 35 GLN HE22 A 35 GLN HG3 1.0 0.0 3.10 1188 859 A 56 ASN HD21 A 35 GLN HG3 1.0 0.0 4.34 1189 859 A 56 ASN HD21 A 35 GLN HG2 1.0 0.0 4.34 1190 860 A 56 ASN HD21 A 35 GLN HE21 1.0 0.0 5.34 1191 860 A 56 ASN HD21 A 35 GLN HE22 1.0 0.0 5.34 1192 861 A 56 ASN HD22 A 35 GLN HE21 1.0 0.0 5.34 1193 861 A 56 ASN HD22 A 35 GLN HE22 1.0 0.0 5.34 1194 862 A 36 GLY H A 56 ASN HB2 1.0 0.0 4.83 1195 862 A 36 GLY H A 56 ASN HB3 1.0 0.0 4.83 1196 863 A 39 SER H A 38 SER HB3 1.0 0.0 3.58 1197 863 A 39 SER H A 38 SER HB2 1.0 0.0 3.58 1198 864 A 39 SER H A 39 SER HB3 1.0 0.0 3.45 1199 864 A 39 SER H A 39 SER HB2 1.0 0.0 3.45 1200 865 A 40 SER H A 39 SER HB3 1.0 0.0 3.82 1201 865 A 40 SER H A 39 SER HB2 1.0 0.0 3.82 1202 866 A 40 SER HA A 39 SER HB3 1.0 0.0 5.09 1203 866 A 40 SER HA A 39 SER HB2 1.0 0.0 5.09 1204 867 A 41 CYS H A 41 CYS HB2 1.0 0.0 3.40 1205 867 A 41 CYS H A 41 CYS HB3 1.0 0.0 3.40 1206 868 A 41 CYS HA A 47 ASN HD21 1.0 0.0 5.23 1207 868 A 41 CYS HA A 47 ASN HD22 1.0 0.0 5.23 1208 869 A 42 SER H A 41 CYS HB2 1.0 0.0 3.80 1209 869 A 42 SER H A 41 CYS HB3 1.0 0.0 3.80 1210 870 A 41 CYS HB3 A 49 CYS HB2 1.0 0.0 3.67 1211 870 A 41 CYS HB2 A 49 CYS HB2 1.0 0.0 3.67 1212 870 A 49 CYS HB3 A 41 CYS HB2 1.0 0.0 3.67 1213 870 A 49 CYS HB3 A 41 CYS HB3 1.0 0.0 3.67 1214 871 A 42 SER H A 47 ASN HD21 1.0 0.0 4.16 1215 871 A 42 SER H A 47 ASN HD22 1.0 0.0 4.16 1216 872 A 43 GLU H A 42 SER HB3 1.0 0.0 3.70 1217 872 A 43 GLU H A 42 SER HB2 1.0 0.0 3.70 1218 873 A 44 THR HG2% A 42 SER HB3 1.0 0.0 3.84 1219 873 A 44 THR HG2% A 42 SER HB2 1.0 0.0 3.84 1220 874 A 47 ASN HD21 A 42 SER HB3 1.0 0.0 5.18 1221 874 A 47 ASN HD21 A 42 SER HB2 1.0 0.0 5.18 1222 874 A 47 ASN HD22 A 42 SER HB3 1.0 0.0 5.18 1223 874 A 47 ASN HD22 A 42 SER HB2 1.0 0.0 5.18 1224 875 A 43 GLU H A 43 GLU HG3 1.0 0.0 3.35 1225 875 A 43 GLU H A 43 GLU HG2 1.0 0.0 3.35 1226 876 A 44 THR H A 47 ASN HD21 1.0 0.0 5.19 1227 876 A 44 THR H A 47 ASN HD22 1.0 0.0 5.19 1228 877 A 44 THR HG2% A 47 ASN HD21 1.0 0.0 4.57 1229 877 A 44 THR HG2% A 47 ASN HD22 1.0 0.0 4.57 1230 878 A 46 ASN H A 46 ASN HD22 1.0 0.0 5.34 1231 878 A 46 ASN H A 46 ASN HD21 1.0 0.0 5.34 1232 879 A 46 ASN HB3 A 46 ASN HD22 1.0 0.0 3.17 1233 879 A 46 ASN HB2 A 46 ASN HD22 1.0 0.0 3.17 1234 879 A 46 ASN HD21 A 46 ASN HB2 1.0 0.0 3.17 1235 879 A 46 ASN HB3 A 46 ASN HD21 1.0 0.0 3.17 1236 880 A 47 ASN H A 46 ASN HB2 1.0 0.0 4.47 1237 880 A 47 ASN H A 46 ASN HB3 1.0 0.0 4.47 1238 881 A 47 ASN H A 47 ASN HB2 1.0 0.0 3.22 1239 881 A 47 ASN H A 47 ASN HB3 1.0 0.0 3.22 1240 882 A 47 ASN HD22 A 47 ASN HB3 1.0 0.0 2.83 1241 882 A 47 ASN HD21 A 47 ASN HB2 1.0 0.0 2.83 1242 882 A 47 ASN HD21 A 47 ASN HB3 1.0 0.0 2.83 1243 882 A 47 ASN HD22 A 47 ASN HB2 1.0 0.0 2.83 1244 883 A 48 LYS H A 47 ASN HB2 1.0 0.0 4.05 1245 883 A 48 LYS H A 47 ASN HB3 1.0 0.0 4.05 1246 884 A 48 LYS H A 48 LYS HB2 1.0 0.0 3.16 1247 884 A 48 LYS H A 48 LYS HB3 1.0 0.0 3.16 1248 885 A 48 LYS H A 48 LYS HG3 1.0 0.0 3.73 1249 885 A 48 LYS H A 48 LYS HG2 1.0 0.0 3.73 1250 886 A 49 CYS H A 48 LYS HG3 1.0 0.0 4.25 1251 886 A 49 CYS H A 48 LYS HG2 1.0 0.0 4.25 1252 887 A 51 SER H A 50 CYS HB2 1.0 0.0 3.28 1253 887 A 51 SER H A 50 CYS HB3 1.0 0.0 3.28 1254 888 A 52 THR H A 50 CYS HB2 1.0 0.0 3.95 1255 888 A 52 THR H A 50 CYS HB3 1.0 0.0 3.95 1256 889 A 50 CYS HB3 A 55 CYS HB2 1.0 0.0 4.84 1257 889 A 55 CYS HB3 A 50 CYS HB2 1.0 0.0 4.84 1258 889 A 50 CYS HB3 A 55 CYS HB3 1.0 0.0 4.84 1259 889 A 50 CYS HB2 A 55 CYS HB2 1.0 0.0 4.84 1260 890 A 52 THR H A 55 CYS HB2 1.0 0.0 3.60 1261 890 A 52 THR H A 55 CYS HB3 1.0 0.0 3.60 1262 891 A 53 ASP H A 53 ASP HB2 1.0 0.0 3.21 1263 891 A 53 ASP H A 53 ASP HB3 1.0 0.0 3.21 1264 892 A 54 ARG H A 53 ASP HB2 1.0 0.0 3.77 1265 892 A 54 ARG H A 53 ASP HB3 1.0 0.0 3.77 1266 893 A 55 CYS H A 55 CYS HB2 1.0 0.0 3.05 1267 893 A 55 CYS H A 55 CYS HB3 1.0 0.0 3.05 1268 894 A 56 ASN H A 56 ASN HB2 1.0 0.0 3.37 1269 894 A 56 ASN H A 56 ASN HB3 1.0 0.0 3.37 1270 895 A 56 ASN H A 57 LYS HG3 1.0 0.0 5.18 1271 895 A 56 ASN H A 57 LYS HG2 1.0 0.0 5.18 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 10 VAL H A 3 CYS O 1.0 0.0 2.2 2 2 A 3 CYS O A 10 VAL N 1.0 0.0 3.2 3 3 A 3 CYS H A 10 VAL O 1.0 0.0 2.2 4 4 A 10 VAL O A 3 CYS N 1.0 0.0 3.2 5 5 A 19 CYS H A 50 CYS O 1.0 0.0 2.2 6 6 A 50 CYS O A 19 CYS N 1.0 0.0 3.2 7 7 A 20 TYR H A 36 GLY O 1.0 0.0 2.2 8 8 A 36 GLY O A 20 TYR N 1.0 0.0 3.2 9 9 A 38 SER H A 18 PHE O 1.0 0.0 2.2 10 10 A 18 PHE O A 38 SER N 1.0 0.0 3.2 11 11 A 54 ARG H A 2 LYS O 1.0 0.0 2.2 12 12 A 2 LYS O A 54 ARG N 1.0 0.0 3.2 13 13 A 16 MET H A 13 HIS O 1.0 0.0 2.2 14 14 A 13 HIS O A 16 MET N 1.0 0.0 3.2 15 15 A 18 PHE H A 38 SER O 1.0 0.0 2.2 16 16 A 38 SER O A 18 PHE N 1.0 0.0 3.2 17 17 A 12 CYS H A 1 LEU O 1.0 0.0 2.2 18 18 A 1 LEU O A 12 CYS N 1.0 0.0 3.2 19 19 A 50 CYS H A 19 CYS O 1.0 0.0 2.2 20 20 A 19 CYS O A 50 CYS N 1.0 0.0 3.2 21 21 A 48 LYS H A 21 HIS O 1.0 0.0 2.2 22 22 A 21 HIS O A 48 LYS N 1.0 0.0 3.2 23 23 A 55 CYS H A 52 THR O 1.0 0.0 2.2 24 24 A 52 THR O A 55 CYS N 1.0 0.0 3.2 25 25 A 4 PHE H A 56 ASN OD1 1.0 0.0 1.7 26 26 A 56 ASN OD1 A 4 PHE N 1.0 0.0 2.7 27 27 A 57 LYS H A 55 CYS O 1.0 0.0 2.2 28 28 A 55 CYS O A 57 LYS N 1.0 0.0 3.2 29 29 A 5 GLN H A 3 CYS O 1.0 0.0 2.2 30 30 A 3 CYS O A 5 GLN N 1.0 0.0 3.2 31 31 A 36 GLY H A 20 TYR O 1.0 0.0 2.2 32 32 A 20 TYR O A 36 GLY N 1.0 0.0 3.2 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 LEU C A 2 LYS N A 2 LYS CA A 2 LYS C 1.0 -109.0 -69.0 PHI 2 2 A 2 LYS N A 2 LYS CA A 2 LYS C A 3 CYS N 1.0 84.7 129.3 PSI 3 3 A 2 LYS C A 3 CYS N A 3 CYS CA A 3 CYS C 1.0 -140.9 -62.7 PHI 4 4 A 3 CYS N A 3 CYS CA A 3 CYS C A 4 PHE N 1.0 97.6 163.6 PSI 5 5 A 4 PHE C A 5 GLN N A 5 GLN CA A 5 GLN C 1.0 -84.5 -44.5 PHI 6 6 A 5 GLN N A 5 GLN CA A 5 GLN C A 6 HIS N 1.0 -41.3 -0.9 PSI 7 7 A 5 GLN C A 6 HIS N A 6 HIS CA A 6 HIS C 1.0 -105.6 -65.6 PHI 8 8 A 6 HIS N A 6 HIS CA A 6 HIS C A 7 GLY N 1.0 -20.9 19.1 PSI 9 9 A 6 HIS C A 7 GLY N A 7 GLY CA A 7 GLY C 1.0 61.6 121.6 PHI 10 10 A 7 GLY N A 7 GLY CA A 7 GLY C A 8 LYS N 1.0 -38.5 32.1 PSI 11 11 A 7 GLY C A 8 LYS N A 8 LYS CA A 8 LYS C 1.0 -104.7 -54.3 PHI 12 12 A 8 LYS N A 8 LYS CA A 8 LYS C A 9 VAL N 1.0 122.4 162.4 PSI 13 13 A 8 LYS C A 9 VAL N A 9 VAL CA A 9 VAL C 1.0 -108.6 -68.6 PHI 14 14 A 9 VAL N A 9 VAL CA A 9 VAL C A 10 VAL N 1.0 99.1 139.1 PSI 15 15 A 9 VAL C A 10 VAL N A 10 VAL CA A 10 VAL C 1.0 -130.3 -90.3 PHI 16 16 A 10 VAL N A 10 VAL CA A 10 VAL C A 11 THR N 1.0 107.2 151.0 PSI 17 17 A 10 VAL C A 11 THR N A 11 THR CA A 11 THR C 1.0 -126.2 -72.6 PHI 18 18 A 11 THR N A 11 THR CA A 11 THR C A 12 CYS N 1.0 100.4 144.8 PSI 19 19 A 11 THR C A 12 CYS N A 12 CYS CA A 12 CYS C 1.0 -125.0 -74.4 PHI 20 20 A 12 CYS N A 12 CYS CA A 12 CYS C A 13 HIS N 1.0 52.7 164.1 PSI 21 21 A 14 ARG C A 15 ASP N A 15 ASP CA A 15 ASP C 1.0 -109.4 -69.4 PHI 22 22 A 15 ASP N A 15 ASP CA A 15 ASP C A 16 MET N 1.0 -31.0 103.8 PSI 23 23 A 15 ASP C A 16 MET N A 16 MET CA A 16 MET C 1.0 -157.0 -22.8 PHI 24 24 A 16 MET N A 16 MET CA A 16 MET C A 17 LYS N 1.0 101.7 175.9 PSI 25 25 A 16 MET C A 17 LYS N A 17 LYS CA A 17 LYS C 1.0 -119.1 -70.9 PHI 26 26 A 17 LYS C A 18 PHE N A 18 PHE CA A 18 PHE C 1.0 -134.5 -88.1 PHI 27 27 A 18 PHE N A 18 PHE CA A 18 PHE C A 19 CYS N 1.0 108.0 156.6 PSI 28 28 A 18 PHE C A 19 CYS N A 19 CYS CA A 19 CYS C 1.0 -124.7 -84.7 PHI 29 29 A 19 CYS N A 19 CYS CA A 19 CYS C A 20 TYR N 1.0 106.1 146.1 PSI 30 30 A 19 CYS C A 20 TYR N A 20 TYR CA A 20 TYR C 1.0 -145.9 -90.5 PHI 31 31 A 20 TYR N A 20 TYR CA A 20 TYR C A 21 HIS N 1.0 112.4 162.0 PSI 32 32 A 20 TYR C A 21 HIS N A 21 HIS CA A 21 HIS C 1.0 -139.0 -77.4 PHI 33 33 A 21 HIS N A 21 HIS CA A 21 HIS C A 22 ASN N 1.0 102.7 147.7 PSI 34 34 A 24 GLY C A 25 MET N A 25 MET CA A 25 MET C 1.0 -137.5 -29.5 PHI 35 35 A 25 MET N A 25 MET CA A 25 MET C A 26 PRO N 1.0 76.9 179.7 PSI 36 36 A 26 PRO N A 26 PRO CA A 26 PRO C A 27 PHE N 1.0 106.2 172.0 PSI 37 37 A 26 PRO C A 27 PHE N A 27 PHE CA A 27 PHE C 1.0 -131.6 -61.8 PHI 38 38 A 27 PHE N A 27 PHE CA A 27 PHE C A 28 ARG N 1.0 84.0 143.2 PSI 39 39 A 28 ARG C A 29 ASN N A 29 ASN CA A 29 ASN C 1.0 45.9 85.9 PHI 40 40 A 29 ASN N A 29 ASN CA A 29 ASN C A 30 LEU N 1.0 -3.3 48.9 PSI 41 41 A 30 LEU C A 31 LYS N A 31 LYS CA A 31 LYS C 1.0 -135.1 -41.5 PHI 42 42 A 31 LYS N A 31 LYS CA A 31 LYS C A 32 LEU N 1.0 52.0 182.2 PSI 43 43 A 31 LYS C A 32 LEU N A 32 LEU CA A 32 LEU C 1.0 -121.6 -77.2 PHI 44 44 A 32 LEU N A 32 LEU CA A 32 LEU C A 33 ILE N 1.0 106.9 146.9 PSI 45 45 A 32 LEU C A 33 ILE N A 33 ILE CA A 33 ILE C 1.0 -123.1 -83.1 PHI 46 46 A 33 ILE N A 33 ILE CA A 33 ILE C A 34 LEU N 1.0 96.7 136.7 PSI 47 47 A 35 GLN C A 36 GLY N A 36 GLY CA A 36 GLY C 1.0 -144.1 -62.1 PHI 48 48 A 36 GLY N A 36 GLY CA A 36 GLY C A 37 CYS N 1.0 120.2 221.4 PSI 49 49 A 36 GLY C A 37 CYS N A 37 CYS CA A 37 CYS C 1.0 -151.2 -111.2 PHI 50 50 A 37 CYS N A 37 CYS CA A 37 CYS C A 38 SER N 1.0 129.7 169.7 PSI 51 51 A 37 CYS C A 38 SER N A 38 SER CA A 38 SER C 1.0 -133.6 -66.4 PHI 52 52 A 38 SER N A 38 SER CA A 38 SER C A 39 SER N 1.0 102.9 196.3 PSI 53 53 A 47 ASN C A 48 LYS N A 48 LYS CA A 48 LYS C 1.0 -123.4 -60.4 PHI 54 54 A 48 LYS N A 48 LYS CA A 48 LYS C A 49 CYS N 1.0 102.9 160.7 PSI 55 55 A 48 LYS C A 49 CYS N A 49 CYS CA A 49 CYS C 1.0 -145.9 -100.1 PHI 56 56 A 49 CYS N A 49 CYS CA A 49 CYS C A 50 CYS N 1.0 116.4 171.2 PSI 57 57 A 49 CYS C A 50 CYS N A 50 CYS CA A 50 CYS C 1.0 -139.4 -93.0 PHI 58 58 A 50 CYS N A 50 CYS CA A 50 CYS C A 51 SER N 1.0 114.7 155.5 PSI 59 59 A 51 SER C A 52 THR N A 52 THR CA A 52 THR C 1.0 -148.0 -106.0 PHI 60 60 A 52 THR N A 52 THR CA A 52 THR C A 53 ASP N 1.0 130.1 172.5 PSI 61 61 A 40 SER C A 41 CYS N A 41 CYS CA A 41 CYS C 1.0 -180.0 -20.0 PHI 62 62 A 27 PHE C A 28 ARG N A 28 ARG CA A 28 ARG C 1.0 -180.0 -20.0 PHI 63 63 A 44 THR C A 45 GLU N A 45 GLU CA A 45 GLU C 1.0 -180.0 -20.0 PHI 64 64 A 42 SER C A 43 GLU N A 43 GLU CA A 43 GLU C 1.0 -180.0 -20.0 PHI 65 65 A 3 CYS N A 3 CYS CA A 3 CYS CB A 3 CYS SG 1.0 -90.0 -30.0 CHI1 66 66 A 19 CYS N A 19 CYS CA A 19 CYS CB A 19 CYS SG 1.0 -90.0 -30.0 CHI1 67 67 A 37 CYS N A 37 CYS CA A 37 CYS CB A 37 CYS SG 1.0 -90.0 -30.0 CHI1 68 68 A 41 CYS N A 41 CYS CA A 41 CYS CB A 41 CYS SG 1.0 -210.0 -150.0 CHI1 69 69 A 50 CYS N A 50 CYS CA A 50 CYS CB A 50 CYS SG 1.0 30.0 90.0 CHI1 70 70 A 55 CYS N A 55 CYS CA A 55 CYS CB A 55 CYS SG 1.0 30.0 90.0 CHI1 71 71 A 4 PHE N A 4 PHE CA A 4 PHE CB A 4 PHE CG 1.0 -90.0 -30.0 CHI1 72 72 A 13 HIS N A 13 HIS CA A 13 HIS CB A 13 HIS CG 1.0 -210.0 -150.0 CHI1 73 73 A 15 ASP N A 15 ASP CA A 15 ASP CB A 15 ASP CG 1.0 -90.0 -30.0 CHI1 74 74 A 20 TYR N A 20 TYR CA A 20 TYR CB A 20 TYR CG 1.0 30.0 90.0 CHI1 75 75 A 22 ASN N A 22 ASN CA A 22 ASN CB A 22 ASN CG 1.0 -210.0 -150.0 CHI1 76 76 A 38 SER N A 38 SER CA A 38 SER CB A 38 SER OG 1.0 -210.0 -150.0 CHI1 77 77 A 46 ASN N A 46 ASN CA A 46 ASN CB A 46 ASN CG 1.0 -210.0 -150.0 CHI1 78 78 A 16 MET N A 16 MET CA A 16 MET CB A 16 MET CG 1.0 -90.0 -30.0 CHI1 stop_ save_