data_nef_c30720_6vpn 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 6VPN 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 47 CYS SG 1 14 CYS SG 1 35 CYS SG 1 20 CYS SG 1 41 CYS SG 1 24 CYS SG 1 43 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 LYS start . . 2 A 2 THR middle . . 3 A 3 CYS middle -HG . 4 A 4 GLU middle . . 5 A 5 ASN middle . . 6 A 6 LEU middle . . 7 A 7 ALA middle . . 8 A 8 ASP middle . . 9 A 9 THR middle . . 10 A 10 TYR middle . . 11 A 11 LYS middle . . 12 A 12 GLY middle . false 13 A 13 PRO middle . false 14 A 14 CYS middle -HG . 15 A 15 PHE middle . . 16 A 16 THR middle . . 17 A 17 THR middle . . 18 A 18 GLY middle . false 19 A 19 SER middle . . 20 A 20 CYS middle -HG . 21 A 21 ASP middle . . 22 A 22 ASP middle . . 23 A 23 HIS middle . . 24 A 24 CYS middle -HG . 25 A 25 LYS middle . . 26 A 26 ASN middle . . 27 A 27 LYS middle . . 28 A 28 GLU middle . . 29 A 29 HIS middle . . 30 A 30 LEU middle . . 31 A 31 ARG middle . . 32 A 32 SER middle . . 33 A 33 GLY middle . false 34 A 34 ARG middle . . 35 A 35 CYS middle -HG . 36 A 36 ARG middle . . 37 A 37 ASP middle . . 38 A 38 ASP middle . . 39 A 39 PHE middle . . 40 A 40 ARG middle . . 41 A 41 CYS middle -HG . 42 A 42 TRP middle . . 43 A 43 CYS middle -HG . 44 A 44 THR middle . . 45 A 45 LYS middle . . 46 A 46 ASN middle . . 47 A 47 CYS end -HG . 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 LYS HA H 1 4.167 0.002 A 1 LYS HBx H 1 1.980 0.003 A 1 LYS HBy H 1 1.980 0.003 A 1 LYS HGx H 1 1.510 0.001 A 1 LYS HGy H 1 1.510 0.001 A 1 LYS HDx H 1 1.722 0.000 A 1 LYS HDy H 1 1.722 0.000 A 1 LYS HEx H 1 3.020 0.001 A 1 LYS HEy H 1 3.020 0.001 A 1 LYS HZ1 H 1 7.560 0.001 A 1 LYS HZ2 H 1 7.560 0.001 A 1 LYS HZ3 H 1 7.560 0.001 A 1 LYS CA C 13 55.884 0.000 A 1 LYS CB C 13 33.301 0.000 A 1 LYS CG C 13 24.355 0.000 A 1 LYS CD C 13 29.300 0.000 A 2 THR H H 1 8.537 0.002 A 2 THR HA H 1 5.157 0.007 A 2 THR HB H 1 4.078 0.003 A 2 THR HG2% H 1 1.093 0.003 A 2 THR CA C 13 60.985 0.000 A 2 THR CB C 13 69.663 0.000 A 2 THR CG2 C 13 21.403 0.000 A 2 THR N N 15 114.708 0.000 A 3 CYS H H 1 9.039 0.003 A 3 CYS HA H 1 5.076 0.003 A 3 CYS HBy H 1 2.996 0.005 A 3 CYS HBx H 1 2.825 0.005 A 3 CYS CA C 13 58.011 0.000 A 3 CYS CB C 13 40.305 0.053 A 3 CYS N N 15 120.438 0.000 A 4 GLU H H 1 8.695 0.002 A 4 GLU HA H 1 5.534 0.002 A 4 GLU HBy H 1 2.065 0.002 A 4 GLU HBx H 1 1.811 0.004 A 4 GLU HGy H 1 2.287 0.004 A 4 GLU HGx H 1 2.216 0.003 A 4 GLU CA C 13 54.953 0.000 A 4 GLU CB C 13 32.676 0.021 A 4 GLU CG C 13 37.702 0.034 A 4 GLU N N 15 122.784 0.000 A 5 ASN H H 1 9.146 0.003 A 5 ASN HA H 1 5.270 0.002 A 5 ASN HBy H 1 2.714 0.003 A 5 ASN HBx H 1 2.538 0.003 A 5 ASN HD2y H 1 7.696 0.003 A 5 ASN HD2x H 1 6.804 0.006 A 5 ASN CA C 13 52.233 0.000 A 5 ASN CB C 13 43.431 0.010 A 5 ASN N N 15 122.064 0.000 A 5 ASN ND2 N 15 112.080 0.004 A 6 LEU H H 1 8.230 0.002 A 6 LEU HA H 1 3.076 0.002 A 6 LEU HBy H 1 0.973 0.004 A 6 LEU HBx H 1 0.842 0.007 A 6 LEU HG H 1 0.219 0.002 A 6 LEU HDx% H 1 0.438 0.001 A 6 LEU HDy% H 1 0.026 0.004 A 6 LEU CA C 13 55.891 0.000 A 6 LEU CB C 13 42.210 0.026 A 6 LEU CG C 13 26.558 0.000 A 6 LEU CDy C 13 24.647 0.000 A 6 LEU CDx C 13 24.237 0.000 A 7 ALA H H 1 8.591 0.001 A 7 ALA HA H 1 4.427 0.004 A 7 ALA HB% H 1 1.298 0.007 A 7 ALA CA C 13 51.683 0.000 A 7 ALA CB C 13 19.538 0.000 A 8 ASP H H 1 9.151 0.002 A 8 ASP HA H 1 4.505 0.003 A 8 ASP HBx H 1 2.734 0.006 A 8 ASP HBy H 1 2.734 0.006 A 8 ASP CA C 13 56.121 0.000 A 8 ASP CB C 13 41.000 0.000 A 8 ASP N N 15 124.794 0.000 A 9 THR H H 1 8.175 0.002 A 9 THR HA H 1 4.354 0.002 A 9 THR HB H 1 4.585 0.003 A 9 THR HG2% H 1 1.156 0.003 A 9 THR CA C 13 60.995 0.000 A 9 THR CB C 13 69.138 0.006 A 9 THR CG2 C 13 21.953 0.000 A 10 TYR H H 1 7.041 0.002 A 10 TYR HA H 1 3.674 0.003 A 10 TYR HBy H 1 2.815 0.001 A 10 TYR HBx H 1 1.590 0.002 A 10 TYR HDx H 1 6.625 0.003 A 10 TYR HDy H 1 6.625 0.003 A 10 TYR HEx H 1 6.424 0.002 A 10 TYR HEy H 1 6.424 0.002 A 10 TYR CA C 13 58.647 0.000 A 10 TYR CB C 13 38.930 0.011 A 11 LYS H H 1 7.946 0.003 A 11 LYS HA H 1 4.316 0.003 A 11 LYS HBy H 1 1.600 0.022 A 11 LYS HBx H 1 1.551 0.012 A 11 LYS HGy H 1 1.328 0.006 A 11 LYS HGx H 1 1.227 0.002 A 11 LYS HDx H 1 1.570 0.005 A 11 LYS HDy H 1 1.570 0.005 A 11 LYS HEx H 1 2.935 0.007 A 11 LYS HEy H 1 2.935 0.007 A 11 LYS HZ1 H 1 7.476 0.002 A 11 LYS HZ2 H 1 7.476 0.002 A 11 LYS HZ3 H 1 7.476 0.002 A 11 LYS CA C 13 57.389 0.000 A 11 LYS CB C 13 33.246 0.050 A 11 LYS CG C 13 24.462 0.000 A 11 LYS CD C 13 28.655 0.000 A 11 LYS CE C 13 41.839 0.000 A 11 LYS N N 15 129.964 0.000 A 12 GLY H H 1 8.281 0.005 A 12 GLY HAy H 1 4.124 0.002 A 12 GLY HAx H 1 3.871 0.005 A 12 GLY CA C 13 44.267 0.011 A 12 GLY N N 15 111.854 0.000 A 13 PRO HA H 1 4.399 0.002 A 13 PRO HBy H 1 1.944 0.001 A 13 PRO HBx H 1 1.049 0.003 A 13 PRO HGx H 1 1.945 0.001 A 13 PRO HGy H 1 1.945 0.001 A 13 PRO HDx H 1 3.551 0.001 A 13 PRO HDy H 1 3.551 0.001 A 13 PRO CA C 13 62.504 0.000 A 13 PRO CB C 13 31.706 0.005 A 13 PRO CG C 13 27.656 0.000 A 13 PRO CD C 13 49.227 0.000 A 14 CYS H H 1 8.221 0.001 A 14 CYS HA H 1 4.746 0.009 A 14 CYS HBy H 1 3.020 0.004 A 14 CYS HBx H 1 1.848 0.004 A 14 CYS CA C 13 56.390 0.000 A 14 CYS CB C 13 33.422 0.047 A 15 PHE H H 1 8.659 0.002 A 15 PHE HA H 1 5.016 0.002 A 15 PHE HBy H 1 3.365 0.007 A 15 PHE HBx H 1 3.039 0.005 A 15 PHE HDx H 1 7.328 0.001 A 15 PHE HDy H 1 7.328 0.001 A 15 PHE HEx H 1 7.167 0.000 A 15 PHE HEy H 1 7.167 0.000 A 15 PHE CA C 13 57.886 0.000 A 15 PHE CB C 13 40.958 0.004 A 16 THR H H 1 8.050 0.004 A 16 THR HA H 1 4.749 0.005 A 16 THR HB H 1 4.330 0.005 A 16 THR HG2% H 1 1.324 0.001 A 16 THR CA C 13 59.446 0.000 A 16 THR CB C 13 70.230 0.000 A 16 THR CG2 C 13 22.095 0.000 A 17 THR H H 1 9.322 0.002 A 17 THR HA H 1 4.240 0.004 A 17 THR HB H 1 4.243 0.006 A 17 THR HG2% H 1 1.436 0.000 A 17 THR CA C 13 67.397 0.000 A 17 THR CB C 13 69.355 0.000 A 17 THR CG2 C 13 21.971 0.000 A 17 THR N N 15 127.803 0.000 A 18 GLY H H 1 9.210 0.001 A 18 GLY HAy H 1 4.046 0.002 A 18 GLY HAx H 1 3.969 0.004 A 18 GLY CA C 13 47.417 0.012 A 18 GLY N N 15 109.666 0.000 A 19 SER H H 1 7.532 0.004 A 19 SER HA H 1 4.575 0.004 A 19 SER HBx H 1 4.231 0.001 A 19 SER HBy H 1 4.231 0.001 A 19 SER CA C 13 60.798 0.000 A 19 SER CB C 13 62.612 0.000 A 19 SER N N 15 115.361 0.000 A 20 CYS H H 1 7.300 0.002 A 20 CYS HA H 1 4.493 0.003 A 20 CYS HBy H 1 2.927 0.004 A 20 CYS HBx H 1 2.607 0.002 A 20 CYS CA C 13 56.850 0.000 A 20 CYS CB C 13 36.565 0.041 A 21 ASP H H 1 9.031 0.001 A 21 ASP HA H 1 4.102 0.004 A 21 ASP HBy H 1 3.048 0.002 A 21 ASP HBx H 1 2.766 0.009 A 21 ASP CA C 13 58.875 0.000 A 21 ASP CB C 13 41.974 0.000 A 21 ASP N N 15 122.393 0.000 A 22 ASP H H 1 8.233 0.001 A 22 ASP HA H 1 4.319 0.003 A 22 ASP HBy H 1 2.953 0.004 A 22 ASP HBx H 1 2.851 0.006 A 22 ASP CA C 13 55.643 0.000 A 22 ASP CB C 13 41.363 0.017 A 23 HIS H H 1 8.000 0.002 A 23 HIS HA H 1 4.183 0.005 A 23 HIS HBy H 1 3.751 0.005 A 23 HIS HBx H 1 3.618 0.002 A 23 HIS HD2 H 1 6.833 0.003 A 23 HIS HE1 H 1 8.177 0.000 A 23 HIS CA C 13 60.819 0.000 A 23 HIS CB C 13 30.179 0.026 A 24 CYS H H 1 9.386 0.001 A 24 CYS HA H 1 3.946 0.003 A 24 CYS HBy H 1 2.659 0.002 A 24 CYS HBx H 1 2.545 0.003 A 24 CYS CA C 13 59.458 0.000 A 24 CYS CB C 13 37.829 0.025 A 24 CYS N N 15 119.353 0.000 A 25 LYS H H 1 8.372 0.004 A 25 LYS HA H 1 4.280 0.004 A 25 LYS HBy H 1 1.698 0.001 A 25 LYS HBx H 1 1.623 0.007 A 25 LYS HGy H 1 1.338 0.005 A 25 LYS HGx H 1 1.260 0.006 A 25 LYS HDx H 1 1.622 0.007 A 25 LYS HDy H 1 1.622 0.006 A 25 LYS HEy H 1 3.131 0.007 A 25 LYS HEx H 1 3.011 0.001 A 25 LYS CA C 13 59.307 0.000 A 25 LYS CB C 13 34.191 0.002 A 25 LYS CG C 13 25.758 0.017 A 25 LYS CD C 13 28.039 0.000 A 25 LYS CE C 13 41.650 0.000 A 25 LYS N N 15 117.690 0.000 A 26 ASN H H 1 8.592 0.001 A 26 ASN HA H 1 4.659 0.006 A 26 ASN HBy H 1 2.854 0.004 A 26 ASN HBx H 1 2.729 0.003 A 26 ASN HD2y H 1 7.844 0.001 A 26 ASN HD2x H 1 7.125 0.000 A 26 ASN CA C 13 55.477 0.000 A 26 ASN CB C 13 39.077 0.000 A 27 LYS H H 1 7.790 0.002 A 27 LYS HA H 1 4.397 0.003 A 27 LYS HBy H 1 1.545 0.011 A 27 LYS HBx H 1 1.439 0.013 A 27 LYS HGx H 1 1.339 0.003 A 27 LYS HGy H 1 1.339 0.003 A 27 LYS HDy H 1 1.614 0.008 A 27 LYS HDx H 1 1.457 0.010 A 27 LYS HEx H 1 2.995 0.001 A 27 LYS HEy H 1 2.995 0.001 A 27 LYS CA C 13 56.279 0.000 A 27 LYS CB C 13 31.276 0.001 A 27 LYS CG C 13 24.631 0.000 A 27 LYS CD C 13 26.363 0.054 A 28 GLU H H 1 6.882 0.001 A 28 GLU HA H 1 4.363 0.005 A 28 GLU HBy H 1 2.439 0.005 A 28 GLU HBx H 1 2.217 0.006 A 28 GLU HGy H 1 2.078 0.009 A 28 GLU HGx H 1 2.052 0.012 A 28 GLU CA C 13 56.280 0.000 A 28 GLU CB C 13 28.828 0.006 A 28 GLU CG C 13 35.370 0.000 A 29 HIS H H 1 6.451 0.001 A 29 HIS HA H 1 4.654 0.004 A 29 HIS HBy H 1 3.507 0.005 A 29 HIS HBx H 1 3.404 0.005 A 29 HIS HD2 H 1 7.162 0.001 A 29 HIS HE1 H 1 8.567 0.000 A 29 HIS CA C 13 55.300 0.000 A 29 HIS CB C 13 25.283 0.025 A 30 LEU H H 1 8.569 0.005 A 30 LEU HA H 1 4.944 0.004 A 30 LEU HBy H 1 1.907 0.001 A 30 LEU HBx H 1 1.391 0.006 A 30 LEU HG H 1 1.749 0.003 A 30 LEU HDx% H 1 0.975 0.006 A 30 LEU HDy% H 1 0.972 0.006 A 30 LEU CA C 13 53.252 0.000 A 30 LEU CB C 13 40.883 0.026 A 30 LEU CG C 13 26.643 0.000 A 30 LEU CDx C 13 22.440 0.000 A 30 LEU CDy C 13 26.401 0.000 A 30 LEU N N 15 119.876 0.000 A 31 ARG H H 1 8.127 0.002 A 31 ARG HA H 1 4.112 0.003 A 31 ARG HBy H 1 1.803 0.004 A 31 ARG HBx H 1 1.687 0.002 A 31 ARG HGy H 1 1.689 0.003 A 31 ARG HGx H 1 1.619 0.000 A 31 ARG HDy H 1 3.251 0.004 A 31 ARG HDx H 1 2.890 0.005 A 31 ARG HE H 1 7.243 0.001 A 31 ARG CA C 13 59.457 0.000 A 31 ARG CB C 13 31.452 0.016 A 31 ARG CG C 13 27.254 0.005 A 31 ARG CD C 13 43.296 0.055 A 31 ARG N N 15 116.703 0.000 A 32 SER H H 1 7.554 0.002 A 32 SER HA H 1 4.667 0.004 A 32 SER HBy H 1 4.068 0.013 A 32 SER HBx H 1 4.033 0.008 A 32 SER CA C 13 57.712 0.000 A 32 SER CB C 13 64.143 0.000 A 33 GLY H H 1 9.586 0.002 A 33 GLY HAy H 1 5.355 0.002 A 33 GLY HAx H 1 4.069 0.006 A 33 GLY CA C 13 46.834 0.062 A 33 GLY N N 15 109.498 0.000 A 34 ARG H H 1 8.800 0.003 A 34 ARG HA H 1 4.775 0.005 A 34 ARG HBy H 1 1.913 0.003 A 34 ARG HBx H 1 1.740 0.001 A 34 ARG HGy H 1 1.671 0.005 A 34 ARG HGx H 1 1.254 0.004 A 34 ARG HDx H 1 2.877 0.000 A 34 ARG HDy H 1 2.877 0.000 A 34 ARG CA C 13 54.798 0.000 A 34 ARG CB C 13 32.377 0.030 A 34 ARG N N 15 115.321 0.000 A 35 CYS H H 1 8.111 0.004 A 35 CYS HA H 1 5.677 0.004 A 35 CYS HBy H 1 3.036 0.008 A 35 CYS HBx H 1 2.515 0.002 A 35 CYS CA C 13 52.049 0.000 A 35 CYS CB C 13 36.146 0.027 A 35 CYS N N 15 119.868 0.000 A 36 ARG H H 1 7.914 0.003 A 36 ARG HA H 1 4.687 0.005 A 36 ARG HBy H 1 1.922 0.003 A 36 ARG HBx H 1 1.822 0.003 A 36 ARG HGy H 1 1.292 0.003 A 36 ARG HGx H 1 0.972 0.003 A 36 ARG CA C 13 55.711 0.000 A 37 ASP H H 1 8.422 0.001 A 37 ASP HA H 1 4.108 0.000 A 37 ASP HBx H 1 2.724 0.002 A 37 ASP HBy H 1 2.724 0.002 A 37 ASP CA C 13 55.438 0.000 A 37 ASP CB C 13 41.005 0.000 A 38 ASP H H 1 7.881 0.004 A 38 ASP HA H 1 4.338 0.005 A 38 ASP HBy H 1 3.068 0.007 A 38 ASP HBx H 1 2.679 0.003 A 38 ASP CA C 13 52.872 0.000 A 38 ASP CB C 13 39.892 0.007 A 39 PHE H H 1 8.390 0.001 A 39 PHE HA H 1 4.198 0.002 A 39 PHE HBy H 1 3.310 0.004 A 39 PHE HBx H 1 3.100 0.006 A 39 PHE HDx H 1 7.171 0.001 A 39 PHE HDy H 1 7.171 0.001 A 39 PHE HEx H 1 7.427 0.000 A 39 PHE HEy H 1 7.427 0.000 A 39 PHE CA C 13 59.572 0.000 A 39 PHE CB C 13 35.718 0.012 A 40 ARG H H 1 8.325 0.006 A 40 ARG HA H 1 4.821 0.011 A 40 ARG HBy H 1 1.992 0.004 A 40 ARG HBx H 1 1.474 0.001 A 40 ARG HGx H 1 1.590 0.003 A 40 ARG HGy H 1 1.590 0.003 A 40 ARG HE H 1 7.131 0.000 A 40 ARG CA C 13 53.556 0.000 A 40 ARG N N 15 119.188 0.000 A 41 CYS H H 1 8.741 0.002 A 41 CYS HA H 1 4.995 0.002 A 41 CYS HBy H 1 1.926 0.004 A 41 CYS HBx H 1 1.673 0.007 A 41 CYS CA C 13 54.037 0.000 A 41 CYS CB C 13 35.460 0.024 A 41 CYS N N 15 119.660 0.000 A 42 TRP H H 1 8.919 0.006 A 42 TRP HA H 1 4.836 0.008 A 42 TRP HBx H 1 2.915 0.006 A 42 TRP HBy H 1 2.915 0.006 A 42 TRP HD1 H 1 6.969 0.001 A 42 TRP HE3 H 1 7.303 0.000 A 42 TRP CA C 13 56.381 0.000 A 42 TRP CB C 13 30.211 0.000 A 43 CYS H H 1 9.365 0.004 A 43 CYS HA H 1 5.976 0.004 A 43 CYS HBy H 1 3.223 0.004 A 43 CYS HBx H 1 2.942 0.003 A 43 CYS CA C 13 51.489 0.000 A 43 CYS CB C 13 39.269 0.003 A 43 CYS N N 15 120.756 0.000 A 44 THR H H 1 9.084 0.002 A 44 THR HA H 1 5.219 0.004 A 44 THR HB H 1 4.077 0.004 A 44 THR HG2% H 1 1.086 0.003 A 44 THR CA C 13 62.882 0.000 A 44 THR CB C 13 70.993 0.000 A 44 THR CG2 C 13 21.416 0.000 A 44 THR N N 15 120.339 0.000 A 45 LYS H H 1 9.170 0.002 A 45 LYS HA H 1 4.999 0.005 A 45 LYS HBy H 1 2.104 0.006 A 45 LYS HBx H 1 1.855 0.006 A 45 LYS HGy H 1 1.611 0.004 A 45 LYS HGx H 1 1.253 0.007 A 45 LYS HDx H 1 1.702 0.004 A 45 LYS HDy H 1 1.702 0.004 A 45 LYS HEx H 1 2.986 0.003 A 45 LYS HEy H 1 2.986 0.003 A 45 LYS HZ1 H 1 7.620 0.002 A 45 LYS HZ2 H 1 7.620 0.002 A 45 LYS HZ3 H 1 7.620 0.002 A 45 LYS CA C 13 53.333 0.000 A 45 LYS CB C 13 37.740 0.003 A 45 LYS CG C 13 23.160 0.035 A 45 LYS CD C 13 29.352 0.000 A 45 LYS N N 15 123.465 0.000 A 46 ASN H H 1 8.922 0.003 A 46 ASN HA H 1 5.049 0.004 A 46 ASN HBy H 1 2.935 0.009 A 46 ASN HBx H 1 2.736 0.004 A 46 ASN HD2y H 1 7.667 0.001 A 46 ASN HD2x H 1 7.049 0.002 A 46 ASN CA C 13 54.027 0.000 A 46 ASN CB C 13 38.462 0.007 A 47 CYS H H 1 8.413 0.004 A 47 CYS HA H 1 4.638 0.004 A 47 CYS HBy H 1 3.333 0.003 A 47 CYS HBx H 1 3.196 0.002 A 47 CYS CA C 13 56.304 0.000 A 47 CYS CB C 13 43.408 0.009 A 47 CYS N N 15 125.615 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 12 GLY H A 13 PRO HDx 1.0 1.8 5.50 2 2 A 12 GLY H A 13 PRO HDy 1.0 1.8 5.50 3 3 A 12 GLY H A 11 LYS HA 1.0 1.8 2.92 4 4 A 12 GLY H A 11 LYS H 1.0 1.8 4.67 5 5 A 11 LYS H A 11 LYS HGx 1.0 1.8 4.74 6 6 A 11 LYS H A 11 LYS HGy 1.0 1.8 4.74 7 7 A 11 LYS H A 10 TYR HA 1.0 1.8 2.93 8 8 A 7 ALA HB% A 10 TYR H 1.0 1.8 3.69 9 9 A 23 HIS H A 23 HIS HBx 1.0 1.8 3.36 10 10 A 34 ARG H A 33 GLY HAx 1.0 1.8 3.47 11 11 A 34 ARG H A 33 GLY HAy 1.0 1.8 3.47 12 12 A 34 ARG H A 33 GLY H 1.0 1.8 5.00 13 13 A 33 GLY H A 32 SER HA 1.0 1.8 3.20 14 14 A 33 GLY H A 32 SER H 1.0 1.8 5.03 15 15 A 24 CYS H A 23 HIS HBy 1.0 1.8 4.08 16 16 A 24 CYS H A 23 HIS HBx 1.0 1.8 4.08 17 17 A 23 HIS H A 24 CYS H 1.0 1.8 3.62 18 18 A 24 CYS H A 24 CYS HBy 1.0 1.8 3.73 19 19 A 24 CYS H A 24 CYS HBx 1.0 1.8 3.73 20 20 A 1 LYS HA A 2 THR H 1.0 1.8 2.93 21 21 A 2 THR HA A 47 CYS H 1.0 1.8 3.70 22 22 A 44 THR HA A 45 LYS H 1.0 1.8 2.88 23 23 A 45 LYS H A 3 CYS H 1.0 1.8 4.01 24 24 A 43 CYS HA A 44 THR H 1.0 1.8 3.08 25 25 A 44 THR H A 43 CYS HBx 1.0 1.8 3.66 26 26 A 44 THR H A 43 CYS HBy 1.0 1.8 4.17 27 27 A 18 GLY H A 19 SER H 1.0 1.8 3.80 28 28 A 28 GLU H A 29 HIS H 1.0 1.8 3.29 29 29 A 30 LEU H A 29 HIS HBy 1.0 1.8 5.50 30 30 A 30 LEU H A 29 HIS HBx 1.0 1.8 5.50 31 31 A 29 HIS H A 30 LEU H 1.0 1.8 3.53 32 32 A 28 GLU H A 27 LYS H 1.0 1.8 3.18 33 33 A 27 LYS H A 26 ASN H 1.0 1.8 3.33 34 34 A 27 LYS H A 26 ASN HBy 1.0 1.8 4.30 35 35 A 27 LYS H A 26 ASN HBx 1.0 1.8 4.30 36 36 A 26 ASN H A 25 LYS H 1.0 1.8 3.60 37 37 A 2 THR H A 1 LYS HGx 1.0 1.8 4.42 38 38 A 2 THR H A 1 LYS HGy 1.0 1.8 4.42 39 39 A 2 THR H A 1 LYS HBx 1.0 1.8 5.21 40 40 A 2 THR H A 1 LYS HBy 1.0 1.8 5.21 41 41 A 2 THR HA A 2 THR HG2% 1.0 1.8 3.22 42 42 A 2 THR H A 2 THR HG2% 1.0 1.8 3.73 43 43 A 2 THR H A 2 THR HB 1.0 1.8 4.05 44 44 A 47 CYS H A 2 THR HG2% 1.0 1.8 4.01 45 45 A 47 CYS H A 47 CYS HBx 1.0 1.8 3.93 46 46 A 47 CYS H A 47 CYS HBy 1.0 1.8 3.93 47 47 A 36 ARG HA A 37 ASP H 1.0 1.8 3.44 48 48 A 47 CYS H A 46 ASN HA 1.0 1.8 2.80 49 49 A 47 CYS H A 3 CYS H 1.0 1.8 4.85 50 50 A 6 LEU HA A 7 ALA HA 1.0 1.8 4.48 51 51 A 7 ALA HB% A 7 ALA H 1.0 1.8 3.07 52 52 A 7 ALA H A 6 LEU HBx 1.0 1.8 4.51 53 53 A 26 ASN H A 26 ASN HBx 1.0 1.8 3.78 54 54 A 6 LEU HA A 7 ALA H 1.0 1.8 2.86 55 55 A 7 ALA H A 42 TRP HA 1.0 1.8 3.52 56 56 A 6 LEU HA A 6 LEU HDx% 1.0 1.8 3.91 57 57 A 6 LEU HA A 6 LEU HG 1.0 1.8 4.11 58 58 A 6 LEU HA A 6 LEU HDy% 1.0 1.8 3.27 59 59 A 6 LEU HDy% A 6 LEU HBy 1.0 1.8 3.49 60 60 A 6 LEU HDx% A 6 LEU HBy 1.0 1.8 3.60 61 61 A 6 LEU HBx A 6 LEU HDx% 1.0 1.8 3.42 62 62 A 6 LEU HBx A 6 LEU HDy% 1.0 1.8 3.90 63 63 A 6 LEU HDx% A 40 ARG HBy 1.0 1.8 5.22 64 64 A 6 LEU HDx% A 40 ARG HGx 1.0 1.8 4.71 65 65 A 6 LEU HDx% A 40 ARG HGy 1.0 1.8 4.71 66 66 A 6 LEU HDx% A 40 ARG HBx 1.0 1.8 5.22 67 67 A 7 ALA HB% A 6 LEU HDx% 1.0 1.8 5.50 68 68 A 6 LEU HDy% A 40 ARG HBy 1.0 1.8 4.48 69 69 A 6 LEU HDy% A 40 ARG HGx 1.0 1.8 4.07 70 70 A 6 LEU HDy% A 40 ARG HGy 1.0 1.8 4.07 71 71 A 6 LEU HDy% A 40 ARG HBx 1.0 1.8 4.48 72 72 A 7 ALA H A 6 LEU HG 1.0 1.8 4.84 73 73 A 6 LEU HG A 6 LEU H 1.0 1.8 3.43 74 74 A 7 ALA H A 6 LEU HDx% 1.0 1.8 4.83 75 75 A 6 LEU HDx% A 6 LEU H 1.0 1.8 4.11 76 76 A 6 LEU HBx A 6 LEU H 1.0 1.8 3.59 77 77 A 6 LEU HBy A 6 LEU H 1.0 1.8 3.54 78 78 A 30 LEU HDy% A 31 ARG H 1.0 1.8 3.96 79 79 A 31 ARG H A 30 LEU HDx% 1.0 1.8 4.55 80 80 A 22 ASP H A 22 ASP HBy 1.0 1.8 3.21 81 81 A 22 ASP H A 22 ASP HBx 1.0 1.8 3.57 82 82 A 7 ALA H A 6 LEU H 1.0 1.8 4.86 83 83 A 10 TYR H A 9 THR HG2% 1.0 1.8 4.85 84 84 A 10 TYR H A 10 TYR HBx 1.0 1.8 3.48 85 85 A 10 TYR H A 10 TYR HBy 1.0 1.8 3.48 86 86 A 10 TYR H A 8 ASP HA 1.0 1.8 4.94 87 87 A 10 TYR H A 10 TYR HD% 1.0 1.8 4.46 88 88 A 11 LYS H A 10 TYR H 1.0 1.8 4.85 89 89 A 11 LYS H A 10 TYR HD% 1.0 1.8 4.30 90 90 A 10 TYR H A 9 THR H 1.0 1.8 3.45 91 91 A 10 TYR HD% A 23 HIS HE1 1.0 1.8 4.85 92 92 A 10 TYR HE% A 41 CYS HBx 1.0 1.8 5.18 93 93 A 10 TYR HD% A 41 CYS HBy 1.0 1.8 3.96 94 94 A 10 TYR HE% A 14 CYS HBy 1.0 1.8 4.18 95 95 A 10 TYR HD% A 14 CYS HBy 1.0 1.8 5.23 96 96 A 10 TYR HE% A 20 CYS HBx 1.0 1.8 5.03 97 97 A 10 TYR HE% A 14 CYS HBx 1.0 1.8 5.14 98 98 A 10 TYR HE% A 20 CYS HBy 1.0 1.8 5.03 99 99 A 10 TYR HD% A 23 HIS HBy 1.0 1.8 3.67 100 100 A 10 TYR HA A 10 TYR HD% 1.0 1.8 3.54 101 101 A 10 TYR HD% A 23 HIS HBx 1.0 1.8 3.67 102 102 A 10 TYR HE% A 23 HIS HBy 1.0 1.8 4.06 103 103 A 10 TYR HE% A 23 HIS HBx 1.0 1.8 4.06 104 104 A 29 HIS H A 25 LYS HA 1.0 1.8 4.64 105 105 A 10 TYR HD% A 20 CYS HA 1.0 1.8 3.94 106 106 A 10 TYR HE% A 20 CYS HA 1.0 1.8 3.50 107 107 A 9 THR HG2% A 9 THR HA 1.0 1.8 3.19 108 108 A 22 ASP HBy A 19 SER HA 1.0 1.8 3.88 109 109 A 9 THR HG2% A 9 THR H 1.0 1.8 3.55 110 110 A 7 ALA HB% A 9 THR H 1.0 1.8 3.91 111 111 A 9 THR H A 8 ASP HBx 1.0 1.8 4.60 112 112 A 9 THR H A 8 ASP HBy 1.0 1.8 4.60 113 113 A 10 TYR HA A 23 HIS HE1 1.0 1.8 4.08 114 114 A 9 THR H A 9 THR HB 1.0 1.8 3.80 115 115 A 9 THR H A 8 ASP H 1.0 1.8 4.06 116 116 A 7 ALA HA A 8 ASP H 1.0 1.8 3.49 117 117 A 7 ALA HB% A 8 ASP H 1.0 1.8 4.05 118 118 A 5 ASN H A 4 GLU HGy 1.0 1.8 4.52 119 119 A 5 ASN H A 4 GLU HGx 1.0 1.8 4.52 120 120 A 5 ASN H A 42 TRP HBy 1.0 1.8 5.36 121 121 A 5 ASN H A 4 GLU HA 1.0 1.8 2.93 122 122 A 5 ASN H A 42 TRP HD1 1.0 1.8 4.16 123 123 A 5 ASN H A 4 GLU H 1.0 1.8 4.84 124 124 A 11 LYS H A 11 LYS HEx 1.0 1.8 5.50 125 125 A 11 LYS H A 11 LYS HEy 1.0 1.8 5.50 126 126 A 11 LYS H A 23 HIS HE1 1.0 1.8 5.50 127 127 A 29 HIS H A 30 LEU HDy% 1.0 1.8 5.50 128 128 A 29 HIS H A 30 LEU HDx% 1.0 1.8 5.50 129 129 A 29 HIS H A 30 LEU HG 1.0 1.8 4.89 130 130 A 29 HIS H A 28 GLU HBx 1.0 1.8 4.64 131 131 A 29 HIS H A 28 GLU HBy 1.0 1.8 4.64 132 132 A 29 HIS H A 24 CYS HA 1.0 1.8 5.12 133 133 A 29 HIS H A 29 HIS HA 1.0 1.8 2.92 134 134 A 29 HIS H A 27 LYS H 1.0 1.8 4.43 135 135 A 29 HIS HA A 29 HIS HD2 1.0 1.8 4.55 136 136 A 39 PHE H A 39 PHE HD% 1.0 1.8 4.67 137 137 A 28 GLU HA A 28 GLU HGx 1.0 1.8 3.78 138 138 A 24 CYS HA A 28 GLU HBx 1.0 1.8 4.12 139 139 A 24 CYS HA A 28 GLU HGx 1.0 1.8 4.26 140 140 A 24 CYS HA A 28 GLU HBy 1.0 1.8 4.12 141 141 A 28 GLU H A 27 LYS HBy 1.0 1.8 3.89 142 142 A 28 GLU H A 27 LYS HBx 1.0 1.8 3.89 143 143 A 28 GLU H A 28 GLU HBx 1.0 1.8 4.06 144 144 A 28 GLU H A 28 GLU HBy 1.0 1.8 4.06 145 145 A 28 GLU H A 24 CYS HA 1.0 1.8 4.27 146 146 A 28 GLU H A 23 HIS HA 1.0 1.8 5.34 147 147 A 28 GLU H A 26 ASN HA 1.0 1.8 5.39 148 148 A 28 GLU H A 29 HIS HA 1.0 1.8 5.50 149 149 A 27 LYS HA A 27 LYS HDy 1.0 1.8 3.78 150 150 A 27 LYS HA A 27 LYS HDx 1.0 1.8 3.78 151 151 A 27 LYS H A 27 LYS HBy 1.0 1.8 3.91 152 152 A 27 LYS H A 27 LYS HBx 1.0 1.8 3.91 153 153 A 27 LYS H A 27 LYS HGx 1.0 1.8 5.50 154 154 A 27 LYS H A 27 LYS HGy 1.0 1.8 5.50 155 155 A 27 LYS H A 23 HIS HA 1.0 1.8 4.00 156 156 A 27 LYS H A 24 CYS HA 1.0 1.8 5.33 157 157 A 26 ASN H A 26 ASN HBy 1.0 1.8 3.78 158 158 A 7 ALA H A 6 LEU HDy% 1.0 1.8 4.01 159 159 A 6 LEU HDy% A 6 LEU H 1.0 1.8 4.39 160 160 A 30 LEU HDx% A 30 LEU HBy 1.0 1.8 3.64 161 161 A 30 LEU HG A 30 LEU HA 1.0 1.8 3.96 162 162 A 30 LEU HDy% A 30 LEU HA 1.0 1.8 2.93 163 163 A 30 LEU H A 30 LEU HBx 1.0 1.8 3.94 164 164 A 30 LEU H A 30 LEU HG 1.0 1.8 3.51 165 165 A 30 LEU H A 30 LEU HBy 1.0 1.8 3.94 166 166 A 30 LEU H A 28 GLU HBx 1.0 1.8 4.56 167 167 A 30 LEU H A 28 GLU HBy 1.0 1.8 4.56 168 168 A 30 LEU H A 24 CYS HA 1.0 1.8 4.82 169 169 A 30 LEU H A 25 LYS HA 1.0 1.8 3.43 170 170 A 30 LEU H A 29 HIS HA 1.0 1.8 3.36 171 171 A 31 ARG HA A 31 ARG HGy 1.0 1.8 3.85 172 172 A 31 ARG HA A 31 ARG HGx 1.0 1.8 3.85 173 173 A 31 ARG H A 30 LEU HBx 1.0 1.8 3.46 174 174 A 31 ARG H A 30 LEU HBy 1.0 1.8 3.46 175 175 A 31 ARG H A 31 ARG HBy 1.0 1.8 3.64 176 176 A 31 ARG H A 31 ARG HBx 1.0 1.8 3.64 177 177 A 31 ARG HE A 31 ARG HGy 1.0 1.8 4.12 178 178 A 31 ARG HE A 44 THR HG2% 1.0 1.8 4.83 179 179 A 31 ARG HE A 31 ARG HGx 1.0 1.8 4.12 180 180 A 31 ARG H A 31 ARG HDy 1.0 1.8 5.39 181 181 A 31 ARG H A 30 LEU HA 1.0 1.8 3.51 182 182 A 30 LEU H A 31 ARG H 1.0 1.8 4.82 183 183 A 35 CYS H A 42 TRP H 1.0 1.8 5.40 184 184 A 31 ARG H A 46 ASN H 1.0 1.8 5.50 185 185 A 44 THR H A 31 ARG H 1.0 1.8 5.20 186 186 A 32 SER H A 31 ARG H 1.0 1.8 3.48 187 187 A 32 SER H A 44 THR HG2% 1.0 1.8 4.47 188 188 A 32 SER H A 30 LEU HBx 1.0 1.8 4.45 189 189 A 32 SER H A 30 LEU HBy 1.0 1.8 4.45 190 190 A 32 SER H A 31 ARG HBy 1.0 1.8 4.03 191 191 A 32 SER H A 31 ARG HBx 1.0 1.8 4.03 192 192 A 32 SER H A 24 CYS HBy 1.0 1.8 5.50 193 193 A 32 SER H A 24 CYS HBx 1.0 1.8 5.50 194 194 A 32 SER H A 44 THR HB 1.0 1.8 3.37 195 195 A 32 SER H A 43 CYS HA 1.0 1.8 5.10 196 196 A 32 SER H A 44 THR H 1.0 1.8 3.74 197 197 A 33 GLY H A 21 ASP HBy 1.0 1.8 4.09 198 198 A 33 GLY H A 21 ASP HBx 1.0 1.8 5.12 199 199 A 33 GLY H A 24 CYS HBy 1.0 1.8 5.10 200 200 A 33 GLY H A 24 CYS HBx 1.0 1.8 5.10 201 201 A 33 GLY H A 21 ASP H 1.0 1.8 5.50 202 202 A 34 ARG H A 43 CYS HA 1.0 1.8 4.38 203 203 A 34 ARG H A 35 CYS H 1.0 1.8 5.17 204 204 A 34 ARG H A 42 TRP H 1.0 1.8 4.42 205 205 A 47 CYS H A 46 ASN H 1.0 1.8 5.03 206 206 A 43 CYS HA A 24 CYS HBx 1.0 1.8 5.12 207 207 A 43 CYS HA A 30 LEU HDx% 1.0 1.8 4.97 208 208 A 7 ALA HB% A 43 CYS H 1.0 1.8 4.42 209 209 A 42 TRP HBy A 43 CYS H 1.0 1.8 3.88 210 210 A 6 LEU HA A 43 CYS H 1.0 1.8 4.21 211 211 A 42 TRP HA A 43 CYS H 1.0 1.8 3.14 212 212 A 5 ASN H A 43 CYS H 1.0 1.8 4.18 213 213 A 42 TRP H A 43 CYS H 1.0 1.8 5.15 214 214 A 7 ALA H A 43 CYS H 1.0 1.8 4.29 215 215 A 6 LEU HA A 42 TRP HA 1.0 1.8 3.28 216 216 A 2 THR HG2% A 46 ASN H 1.0 1.8 4.50 217 217 A 30 LEU HDy% A 46 ASN H 1.0 1.8 4.48 218 218 A 46 ASN H A 45 LYS HBy 1.0 1.8 4.06 219 219 A 46 ASN H A 45 LYS HBx 1.0 1.8 4.06 220 220 A 41 CYS HBx A 42 TRP H 1.0 1.8 3.91 221 221 A 42 TRP H A 42 TRP HBx 1.0 1.8 3.11 222 222 A 42 TRP H A 41 CYS HA 1.0 1.8 2.74 223 223 A 46 ASN H A 45 LYS HA 1.0 1.8 3.07 224 224 A 42 TRP H A 35 CYS HA 1.0 1.8 4.14 225 225 A 44 THR HA A 44 THR HG2% 1.0 1.8 3.36 226 226 A 44 THR H A 44 THR HG2% 1.0 1.8 4.15 227 227 A 44 THR H A 44 THR HB 1.0 1.8 3.20 228 228 A 45 LYS H A 44 THR HG2% 1.0 1.8 3.38 229 229 A 45 LYS H A 45 LYS HDx 1.0 1.8 5.50 230 230 A 45 LYS H A 45 LYS HDy 1.0 1.8 5.50 231 231 A 19 SER H A 16 THR HB 1.0 1.8 4.33 232 232 A 19 SER H A 19 SER HBx 1.0 1.8 3.69 233 233 A 19 SER H A 19 SER HBy 1.0 1.8 3.69 234 234 A 19 SER H A 20 CYS H 1.0 1.8 3.55 235 235 A 18 GLY H A 17 THR HG2% 1.0 1.8 3.86 236 236 A 18 GLY H A 16 THR HG2% 1.0 1.8 3.75 237 237 A 18 GLY H A 21 ASP HBx 1.0 1.8 4.99 238 238 A 18 GLY H A 16 THR HB 1.0 1.8 4.18 239 239 A 18 GLY H A 17 THR HB 1.0 1.8 4.29 240 240 A 16 THR HG2% A 17 THR HA 1.0 1.8 5.27 241 241 A 16 THR HG2% A 17 THR HB 1.0 1.8 5.50 242 242 A 17 THR HA A 18 GLY HAy 1.0 1.8 5.06 243 243 A 16 THR HB A 17 THR H 1.0 1.8 4.20 244 244 A 17 THR HB A 17 THR H 1.0 1.8 3.49 245 245 A 17 THR H A 16 THR HA 1.0 1.8 3.45 246 246 A 17 THR HG2% A 17 THR H 1.0 1.8 4.15 247 247 A 16 THR HG2% A 17 THR H 1.0 1.8 4.10 248 248 A 18 GLY H A 17 THR H 1.0 1.8 4.19 249 249 A 17 THR H A 16 THR H 1.0 1.8 4.87 250 250 A 16 THR HG2% A 16 THR H 1.0 1.8 4.09 251 251 A 16 THR HB A 16 THR H 1.0 1.8 3.90 252 252 A 16 THR H A 15 PHE HBy 1.0 1.8 4.24 253 253 A 16 THR H A 15 PHE HBx 1.0 1.8 4.24 254 254 A 16 THR H A 15 PHE H 1.0 1.8 3.13 255 255 A 15 PHE H A 15 PHE HBx 1.0 1.8 4.01 256 256 A 15 PHE H A 15 PHE HBy 1.0 1.8 4.01 257 257 A 15 PHE H A 15 PHE HD% 1.0 1.8 4.68 258 258 A 10 TYR HE% A 15 PHE H 1.0 1.8 5.13 259 259 A 15 PHE HD% A 15 PHE HA 1.0 1.8 3.51 260 260 A 39 PHE HD% A 39 PHE HA 1.0 1.8 3.71 261 261 A 15 PHE HD% A 13 PRO HBy 1.0 1.8 4.73 262 262 A 23 HIS HA A 23 HIS HD2 1.0 1.8 4.93 263 263 A 23 HIS H A 22 ASP HBy 1.0 1.8 3.89 264 264 A 23 HIS H A 22 ASP HBx 1.0 1.8 3.58 265 265 A 23 HIS H A 22 ASP H 1.0 1.8 3.80 266 266 A 6 LEU H A 42 TRP HD1 1.0 1.8 4.45 267 267 A 22 ASP H A 20 CYS H 1.0 1.8 4.88 268 268 A 39 PHE HD% A 14 CYS H 1.0 1.8 4.84 269 269 A 6 LEU HBy A 5 ASN HA 1.0 1.8 4.78 270 270 A 6 LEU H A 5 ASN HA 1.0 1.8 3.03 271 271 A 44 THR HA A 4 GLU HA 1.0 1.8 4.12 272 272 A 4 GLU HA A 4 GLU HGy 1.0 1.8 4.24 273 273 A 4 GLU HA A 4 GLU HGx 1.0 1.8 4.24 274 274 A 4 GLU HA A 44 THR HG2% 1.0 1.8 4.55 275 275 A 4 GLU H A 44 THR HG2% 1.0 1.8 5.46 276 276 A 4 GLU H A 4 GLU HBx 1.0 1.8 3.81 277 277 A 4 GLU H A 4 GLU HBy 1.0 1.8 3.81 278 278 A 4 GLU H A 3 CYS HA 1.0 1.8 2.93 279 279 A 3 CYS H A 4 GLU H 1.0 1.8 5.01 280 280 A 2 THR H A 3 CYS H 1.0 1.8 5.26 281 281 A 22 ASP H A 21 ASP H 1.0 1.8 3.63 282 282 A 2 THR HA A 3 CYS H 1.0 1.8 2.92 283 283 A 3 CYS H A 2 THR HB 1.0 1.8 3.15 284 284 A 21 ASP H A 17 THR HA 1.0 1.8 4.53 285 285 A 3 CYS H A 45 LYS HGx 1.0 1.8 4.83 286 286 A 3 CYS H A 2 THR HG2% 1.0 1.8 3.50 287 287 A 20 CYS HA A 23 HIS HBy 1.0 1.8 4.07 288 288 A 20 CYS HA A 23 HIS HBx 1.0 1.8 4.07 289 289 A 20 CYS H A 20 CYS HBy 1.0 1.8 3.61 290 290 A 42 TRP HBx A 42 TRP HE3 1.0 1.8 3.75 291 291 A 21 ASP HBx A 20 CYS H 1.0 1.8 5.10 292 292 A 20 CYS H A 20 CYS HBx 1.0 1.8 3.61 293 293 A 6 LEU HDx% A 42 TRP HE3 1.0 1.8 5.20 294 294 A 6 LEU HDy% A 42 TRP HE3 1.0 1.8 4.38 295 295 A 42 TRP HE3 A 36 ARG HGx 1.0 1.8 4.12 296 296 A 42 TRP HE3 A 36 ARG HGy 1.0 1.8 4.12 297 297 A 42 TRP HE3 A 40 ARG HGx 1.0 1.8 5.50 298 298 A 42 TRP HE3 A 40 ARG HGy 1.0 1.8 5.50 299 299 A 42 TRP HE3 A 36 ARG HBy 1.0 1.8 3.44 300 300 A 42 TRP HE3 A 36 ARG HBx 1.0 1.8 4.36 301 301 A 20 CYS H A 19 SER HBx 1.0 1.8 4.10 302 302 A 20 CYS H A 19 SER HBy 1.0 1.8 4.10 303 303 A 42 TRP HA A 42 TRP HE3 1.0 1.8 4.63 304 304 A 35 CYS HA A 42 TRP HE3 1.0 1.8 5.12 305 305 A 21 ASP H A 20 CYS H 1.0 1.8 3.45 306 306 A 42 TRP H A 42 TRP HE3 1.0 1.8 3.90 307 307 A 42 TRP HE3 A 36 ARG H 1.0 1.8 4.39 308 308 A 19 SER HA A 21 ASP H 1.0 1.8 4.77 309 309 A 22 ASP HBy A 21 ASP H 1.0 1.8 5.02 310 310 A 21 ASP HBy A 21 ASP H 1.0 1.8 3.14 311 311 A 23 HIS H A 19 SER HA 1.0 1.8 4.68 312 312 A 23 HIS H A 20 CYS HA 1.0 1.8 4.40 313 313 A 24 CYS H A 21 ASP HA 1.0 1.8 4.24 314 314 A 24 CYS H A 20 CYS HA 1.0 1.8 4.72 315 315 A 24 CYS H A 23 HIS HD2 1.0 1.8 4.30 316 316 A 24 CYS H A 22 ASP H 1.0 1.8 5.09 317 317 A 24 CYS H A 25 LYS H 1.0 1.8 3.66 318 318 A 25 LYS H A 24 CYS HBy 1.0 1.8 4.18 319 319 A 25 LYS H A 24 CYS HBx 1.0 1.8 4.18 320 320 A 14 CYS H A 13 PRO HBx 1.0 1.8 3.91 321 321 A 39 PHE HA A 14 CYS H 1.0 1.8 4.27 322 322 A 14 CYS H A 13 PRO HA 1.0 1.8 2.97 323 323 A 10 TYR HE% A 14 CYS H 1.0 1.8 4.70 324 324 A 14 CYS HBy A 14 CYS H 1.0 1.8 3.49 325 325 A 37 ASP H A 36 ARG HBx 1.0 1.8 3.09 326 326 A 37 ASP H A 36 ARG HBy 1.0 1.8 3.73 327 327 A 37 ASP H A 37 ASP HBx 1.0 1.8 3.75 328 328 A 37 ASP H A 37 ASP HBy 1.0 1.8 3.75 329 329 A 46 ASN H A 46 ASN HD2y 1.0 1.8 5.08 330 330 A 6 LEU HA A 42 TRP HD1 1.0 1.8 4.48 331 331 A 42 TRP HBy A 42 TRP HD1 1.0 1.8 3.08 332 332 A 42 TRP HA A 42 TRP HD1 1.0 1.8 4.55 333 333 A 6 LEU HDx% A 41 CYS H 1.0 1.8 5.50 334 334 A 7 ALA HB% A 41 CYS H 1.0 1.8 4.67 335 335 A 41 CYS HBx A 41 CYS H 1.0 1.8 3.77 336 336 A 41 CYS HBy A 41 CYS H 1.0 1.8 3.37 337 337 A 6 LEU HA A 41 CYS H 1.0 1.8 5.50 338 338 A 41 CYS H A 40 ARG HA 1.0 1.8 3.40 339 339 A 40 ARG H A 40 ARG HGx 1.0 1.8 5.50 340 340 A 40 ARG H A 40 ARG HGy 1.0 1.8 5.50 341 341 A 39 PHE H A 38 ASP H 1.0 1.8 3.23 342 342 A 3 CYS H A 45 LYS HGy 1.0 1.8 4.83 343 343 A 21 ASP H A 17 THR HG2% 1.0 1.8 4.94 344 344 A 21 ASP H A 18 GLY HAy 1.0 1.8 4.32 345 345 A 42 TRP HD1 A 5 ASN HA 1.0 1.8 3.55 346 346 A 6 LEU HDy% A 41 CYS H 1.0 1.8 4.84 347 347 A 6 LEU HDy% A 40 ARG HE 1.0 1.8 4.52 348 348 A 6 LEU HG A 42 TRP HD1 1.0 1.8 4.72 349 349 A 6 LEU HDx% A 40 ARG HE 1.0 1.8 4.87 350 350 A 22 ASP H A 19 SER HA 1.0 1.8 4.20 351 351 A 19 SER H A 16 THR HG2% 1.0 1.8 3.68 352 352 A 42 TRP HE3 A 40 ARG H 1.0 1.8 5.04 353 353 A 19 SER H A 21 ASP H 1.0 1.8 4.85 354 354 A 23 HIS H A 23 HIS HBy 1.0 1.8 3.36 355 355 A 23 HIS H A 10 TYR HE% 1.0 1.8 5.12 356 356 A 23 HIS H A 10 TYR HD% 1.0 1.8 5.27 357 357 A 23 HIS H A 23 HIS HD2 1.0 1.8 5.05 358 358 A 24 CYS HA A 23 HIS HD2 1.0 1.8 3.69 359 359 A 7 ALA HB% A 23 HIS HD2 1.0 1.8 3.74 360 360 A 23 HIS H A 25 LYS H 1.0 1.8 5.05 361 361 A 27 LYS H A 25 LYS H 1.0 1.8 5.10 362 362 A 32 SER HA A 25 LYS HBy 1.0 1.8 5.50 363 363 A 22 ASP HA A 26 ASN HD2x 1.0 1.8 4.15 364 364 A 22 ASP HA A 26 ASN HD2y 1.0 1.8 4.15 365 365 A 28 GLU H A 30 LEU H 1.0 1.8 4.34 366 366 A 31 ARG H A 31 ARG HDx 1.0 1.8 5.39 367 367 A 34 ARG H A 42 TRP HBx 1.0 1.8 4.69 368 368 A 34 ARG H A 42 TRP HBy 1.0 1.8 5.02 369 369 A 34 ARG H A 34 ARG HGy 1.0 1.8 4.33 370 370 A 34 ARG H A 34 ARG HGx 1.0 1.8 4.33 371 371 A 2 THR HG2% A 46 ASN HA 1.0 1.8 3.63 372 372 A 46 ASN H A 46 ASN HD2x 1.0 1.8 5.08 373 373 A 41 CYS HBx A 35 CYS HA 1.0 1.8 5.07 374 374 A 35 CYS HA A 36 ARG HBy 1.0 1.8 4.37 375 375 A 42 TRP HBx A 35 CYS HA 1.0 1.8 4.92 376 376 A 35 CYS H A 35 CYS HBx 1.0 1.8 4.01 377 377 A 35 CYS H A 35 CYS HBy 1.0 1.8 4.01 378 378 A 35 CYS HA A 36 ARG H 1.0 1.8 3.21 379 379 A 36 ARG HBy A 36 ARG H 1.0 1.8 3.64 380 380 A 36 ARG HBx A 36 ARG H 1.0 1.8 3.94 381 381 A 36 ARG H A 35 CYS HBx 1.0 1.8 4.55 382 382 A 36 ARG H A 35 CYS HBy 1.0 1.8 4.55 383 383 A 38 ASP H A 38 ASP HBx 1.0 1.8 4.08 384 384 A 38 ASP H A 38 ASP HBy 1.0 1.8 4.08 385 385 A 43 CYS HA A 33 GLY HAy 1.0 1.8 3.75 386 386 A 43 CYS HA A 33 GLY HAx 1.0 1.8 3.75 387 387 A 44 THR H A 30 LEU HDx% 1.0 1.8 4.51 388 388 A 7 ALA HB% A 10 TYR HD% 1.0 1.8 3.95 389 389 A 32 SER HA A 25 LYS HEy 1.0 1.8 4.93 390 390 A 32 SER HA A 25 LYS HEx 1.0 1.8 4.93 391 391 A 7 ALA HB% A 42 TRP HA 1.0 1.8 4.26 392 392 A 17 THR HG2% A 18 GLY HAx 1.0 1.8 4.90 393 393 A 17 THR HG2% A 18 GLY HAy 1.0 1.8 4.36 394 394 A 21 ASP HBx A 18 GLY HAy 1.0 1.8 3.92 395 395 A 14 CYS HBx A 39 PHE HA 1.0 1.8 4.06 396 396 A 21 ASP HBy A 18 GLY HAy 1.0 1.8 4.16 397 397 A 44 THR HG2% A 31 ARG HDy 1.0 1.8 4.00 398 398 A 44 THR HG2% A 31 ARG HDx 1.0 1.8 4.00 399 399 A 42 TRP HBy A 4 GLU HGx 1.0 1.8 4.43 400 400 A 7 ALA HB% A 41 CYS HBy 1.0 1.8 3.32 401 401 A 2 THR HA A 46 ASN HA 1.0 1.8 4.58 402 402 A 43 CYS HBx A 24 CYS HBy 1.0 1.8 4.40 403 403 A 43 CYS HBx A 24 CYS HBx 1.0 1.8 4.40 404 404 A 10 TYR HD% A 14 CYS HA 1.0 1.8 5.50 405 405 A 10 TYR HE% A 14 CYS HA 1.0 1.8 3.87 406 406 A 10 TYR HE% A 41 CYS HBy 1.0 1.8 5.14 407 407 A 7 ALA HB% A 10 TYR HE% 1.0 1.8 5.19 408 408 A 22 ASP HBx A 19 SER HA 1.0 1.8 4.22 409 409 A 28 GLU HA A 28 GLU HGy 1.0 1.8 3.78 410 410 A 24 CYS HA A 28 GLU HGy 1.0 1.8 4.26 411 411 A 30 LEU HDx% A 30 LEU HBx 1.0 1.8 3.64 412 412 A 43 CYS HA A 24 CYS HBy 1.0 1.8 5.12 413 413 A 16 THR HG2% A 16 THR HA 1.0 1.8 3.53 414 414 A 39 PHE HD% A 13 PRO HBx 1.0 1.8 4.92 415 415 A 13 PRO HBy A 15 PHE HE% 1.0 1.8 4.52 416 416 A 39 PHE HD% A 13 PRO HBy 1.0 1.8 4.86 417 417 A 15 PHE HA A 15 PHE HE% 1.0 1.8 4.55 418 418 A 30 LEU HDx% A 28 GLU HBx 1.0 1.8 4.15 419 419 A 30 LEU HDx% A 28 GLU HBy 1.0 1.8 4.15 420 420 A 43 CYS HBy A 30 LEU HDx% 1.0 1.8 3.62 421 421 A 43 CYS HBx A 30 LEU HDx% 1.0 1.8 3.66 422 422 A 42 TRP HBy A 4 GLU HGy 1.0 1.8 4.43 423 423 A 32 SER HA A 25 LYS HBx 1.0 1.8 5.50 424 424 A 32 SER HA A 25 LYS HDx 1.0 1.8 5.50 425 425 A 32 SER HA A 25 LYS HDy 1.0 1.8 5.50 426 426 A 2 THR H A 1 LYS HGy 1.0 1.8 3.76 427 426 A 2 THR H A 1 LYS HGx 1.0 1.8 3.76 428 427 A 3 CYS H A 45 LYS HGx 1.0 1.8 4.09 429 427 A 3 CYS H A 45 LYS HGy 1.0 1.8 4.09 430 428 A 4 GLU H A 3 CYS HBy 1.0 1.8 4.26 431 428 A 4 GLU H A 3 CYS HBx 1.0 1.8 4.26 432 429 A 3 CYS HBx A 47 CYS HBy 1.0 1.8 3.96 433 429 A 3 CYS HBy A 47 CYS HBy 1.0 1.8 3.96 434 429 A 47 CYS HBx A 3 CYS HBy 1.0 1.8 3.96 435 429 A 3 CYS HBx A 47 CYS HBx 1.0 1.8 3.96 436 430 A 4 GLU H A 4 GLU HBx 1.0 1.8 3.34 437 430 A 4 GLU H A 4 GLU HBy 1.0 1.8 3.34 438 431 A 4 GLU H A 4 GLU HGy 1.0 1.8 4.67 439 431 A 4 GLU H A 4 GLU HGx 1.0 1.8 4.67 440 432 A 4 GLU HA A 4 GLU HGy 1.0 1.8 3.66 441 432 A 4 GLU HA A 4 GLU HGx 1.0 1.8 3.66 442 433 A 5 ASN H A 4 GLU HBx 1.0 1.8 4.15 443 433 A 5 ASN H A 4 GLU HBy 1.0 1.8 4.15 444 434 A 42 TRP HBy A 4 GLU HBx 1.0 1.8 4.40 445 434 A 42 TRP HBy A 4 GLU HBy 1.0 1.8 4.40 446 435 A 42 TRP HD1 A 4 GLU HBx 1.0 1.8 3.56 447 435 A 42 TRP HD1 A 4 GLU HBy 1.0 1.8 3.56 448 436 A 44 THR HA A 4 GLU HBx 1.0 1.8 4.75 449 436 A 44 THR HA A 4 GLU HBy 1.0 1.8 4.75 450 437 A 5 ASN H A 4 GLU HGy 1.0 1.8 3.96 451 437 A 5 ASN H A 4 GLU HGx 1.0 1.8 3.96 452 438 A 42 TRP HBy A 4 GLU HGy 1.0 1.8 3.68 453 438 A 42 TRP HBy A 4 GLU HGx 1.0 1.8 3.68 454 439 A 42 TRP HD1 A 4 GLU HGy 1.0 1.8 3.32 455 439 A 42 TRP HD1 A 4 GLU HGx 1.0 1.8 3.32 456 440 A 44 THR HA A 4 GLU HGy 1.0 1.8 4.56 457 440 A 44 THR HA A 4 GLU HGx 1.0 1.8 4.56 458 441 A 5 ASN H A 5 ASN HBy 1.0 1.8 3.51 459 441 A 5 ASN H A 5 ASN HBx 1.0 1.8 3.51 460 442 A 6 LEU H A 5 ASN HBy 1.0 1.8 3.91 461 442 A 6 LEU H A 5 ASN HBx 1.0 1.8 3.91 462 443 A 6 LEU HDx% A 40 ARG HBx 1.0 1.8 4.44 463 443 A 6 LEU HDx% A 40 ARG HBy 1.0 1.8 4.44 464 444 A 6 LEU HDx% A 40 ARG HGx 1.0 1.8 4.00 465 444 A 6 LEU HDx% A 40 ARG HGy 1.0 1.8 4.00 466 445 A 6 LEU HDy% A 40 ARG HBx 1.0 1.8 3.75 467 445 A 6 LEU HDy% A 40 ARG HBy 1.0 1.8 3.75 468 446 A 6 LEU HDy% A 40 ARG HGx 1.0 1.8 3.52 469 446 A 6 LEU HDy% A 40 ARG HGy 1.0 1.8 3.52 470 447 A 7 ALA HB% A 10 TYR HBx 1.0 1.8 3.46 471 447 A 7 ALA HB% A 10 TYR HBy 1.0 1.8 3.46 472 448 A 8 ASP H A 8 ASP HBx 1.0 1.8 3.56 473 448 A 8 ASP H A 8 ASP HBy 1.0 1.8 3.56 474 449 A 9 THR H A 8 ASP HBx 1.0 1.8 3.92 475 449 A 9 THR H A 8 ASP HBy 1.0 1.8 3.92 476 450 A 23 HIS HD2 A 10 TYR HBx 1.0 1.8 3.97 477 450 A 23 HIS HD2 A 10 TYR HBy 1.0 1.8 3.97 478 451 A 10 TYR HD% A 20 CYS HBy 1.0 1.8 4.89 479 451 A 10 TYR HD% A 20 CYS HBx 1.0 1.8 4.89 480 452 A 10 TYR HD% A 23 HIS HBy 1.0 1.8 3.20 481 452 A 10 TYR HD% A 23 HIS HBx 1.0 1.8 3.20 482 453 A 10 TYR HE% A 20 CYS HBy 1.0 1.8 4.32 483 453 A 10 TYR HE% A 20 CYS HBx 1.0 1.8 4.32 484 454 A 11 LYS H A 11 LYS HBy 1.0 1.8 3.23 485 454 A 11 LYS H A 11 LYS HBx 1.0 1.8 3.23 486 455 A 11 LYS H A 11 LYS HGx 1.0 1.8 3.92 487 455 A 11 LYS H A 11 LYS HGy 1.0 1.8 3.92 488 456 A 11 LYS HZ% A 11 LYS HBy 1.0 1.8 5.00 489 456 A 11 LYS HBx A 11 LYS HZ% 1.0 1.8 5.00 490 457 A 12 GLY H A 11 LYS HBy 1.0 1.8 4.09 491 457 A 12 GLY H A 11 LYS HBx 1.0 1.8 4.09 492 458 A 12 GLY H A 11 LYS HGx 1.0 1.8 4.76 493 458 A 12 GLY H A 11 LYS HGy 1.0 1.8 4.76 494 459 A 12 GLY H A 13 PRO HDy 1.0 1.8 4.74 495 459 A 12 GLY H A 13 PRO HDx 1.0 1.8 4.74 496 460 A 12 GLY HAx A 13 PRO HGx 1.0 1.8 4.47 497 460 A 12 GLY HAy A 13 PRO HGx 1.0 1.8 4.47 498 460 A 13 PRO HGy A 12 GLY HAy 1.0 1.8 4.47 499 460 A 12 GLY HAx A 13 PRO HGy 1.0 1.8 4.47 500 461 A 12 GLY HAy A 13 PRO HDy 1.0 1.8 2.88 501 461 A 12 GLY HAx A 13 PRO HDy 1.0 1.8 2.88 502 461 A 13 PRO HDx A 12 GLY HAy 1.0 1.8 2.88 503 461 A 13 PRO HDx A 12 GLY HAx 1.0 1.8 2.88 504 462 A 15 PHE HE% A 13 PRO HGx 1.0 1.8 4.31 505 462 A 15 PHE HE% A 13 PRO HGy 1.0 1.8 4.31 506 463 A 14 CYS H A 39 PHE HBy 1.0 1.8 4.41 507 463 A 14 CYS H A 39 PHE HBx 1.0 1.8 4.41 508 464 A 15 PHE H A 15 PHE HBx 1.0 1.8 3.17 509 464 A 15 PHE H A 15 PHE HBy 1.0 1.8 3.17 510 465 A 16 THR H A 15 PHE HBx 1.0 1.8 3.57 511 465 A 16 THR H A 15 PHE HBy 1.0 1.8 3.57 512 466 A 16 THR HB A 15 PHE HBx 1.0 1.8 4.51 513 466 A 16 THR HB A 15 PHE HBy 1.0 1.8 4.51 514 467 A 16 THR HG2% A 19 SER HBy 1.0 1.8 5.34 515 467 A 16 THR HG2% A 19 SER HBx 1.0 1.8 5.34 516 468 A 17 THR HA A 20 CYS HBy 1.0 1.8 3.86 517 468 A 17 THR HA A 20 CYS HBx 1.0 1.8 3.86 518 469 A 19 SER H A 19 SER HBy 1.0 1.8 3.03 519 469 A 19 SER H A 19 SER HBx 1.0 1.8 3.03 520 470 A 19 SER H A 20 CYS HBy 1.0 1.8 5.07 521 470 A 19 SER H A 20 CYS HBx 1.0 1.8 5.07 522 471 A 19 SER HA A 23 HIS HBy 1.0 1.8 5.34 523 471 A 19 SER HA A 23 HIS HBx 1.0 1.8 5.34 524 472 A 20 CYS H A 19 SER HBy 1.0 1.8 3.44 525 472 A 20 CYS H A 19 SER HBx 1.0 1.8 3.44 526 473 A 20 CYS H A 20 CYS HBy 1.0 1.8 3.10 527 473 A 20 CYS H A 20 CYS HBx 1.0 1.8 3.10 528 474 A 21 ASP H A 20 CYS HBy 1.0 1.8 3.61 529 474 A 21 ASP H A 20 CYS HBx 1.0 1.8 3.61 530 475 A 34 ARG H A 20 CYS HBy 1.0 1.8 5.34 531 475 A 34 ARG H A 20 CYS HBx 1.0 1.8 5.34 532 476 A 34 ARG HA A 20 CYS HBy 1.0 1.8 4.76 533 476 A 20 CYS HBx A 34 ARG HA 1.0 1.8 4.76 534 477 A 22 ASP HA A 26 ASN HD2y 1.0 1.8 3.48 535 477 A 22 ASP HA A 26 ASN HD2x 1.0 1.8 3.48 536 478 A 22 ASP HBx A 26 ASN HD2y 1.0 1.8 4.14 537 478 A 22 ASP HBx A 26 ASN HD2x 1.0 1.8 4.14 538 479 A 23 HIS HD2 A 23 HIS HBy 1.0 1.8 3.48 539 479 A 23 HIS HD2 A 23 HIS HBx 1.0 1.8 3.48 540 480 A 24 CYS H A 23 HIS HBy 1.0 1.8 3.30 541 480 A 24 CYS H A 23 HIS HBx 1.0 1.8 3.30 542 481 A 23 HIS HD2 A 28 GLU HBx 1.0 1.8 4.93 543 481 A 23 HIS HD2 A 28 GLU HBy 1.0 1.8 4.93 544 482 A 23 HIS HD2 A 28 GLU HGy 1.0 1.8 4.49 545 482 A 23 HIS HD2 A 28 GLU HGx 1.0 1.8 4.49 546 483 A 24 CYS H A 24 CYS HBy 1.0 1.8 3.15 547 483 A 24 CYS H A 24 CYS HBx 1.0 1.8 3.15 548 484 A 24 CYS H A 25 LYS HBx 1.0 1.8 4.98 549 484 A 24 CYS H A 25 LYS HBy 1.0 1.8 4.98 550 485 A 24 CYS HA A 28 GLU HBx 1.0 1.8 3.59 551 485 A 24 CYS HA A 28 GLU HBy 1.0 1.8 3.59 552 486 A 24 CYS HA A 28 GLU HGy 1.0 1.8 3.67 553 486 A 24 CYS HA A 28 GLU HGx 1.0 1.8 3.67 554 487 A 25 LYS H A 24 CYS HBy 1.0 1.8 3.50 555 487 A 25 LYS H A 24 CYS HBx 1.0 1.8 3.50 556 488 A 30 LEU HDx% A 24 CYS HBy 1.0 1.8 4.56 557 488 A 30 LEU HDx% A 24 CYS HBx 1.0 1.8 4.56 558 489 A 32 SER H A 24 CYS HBy 1.0 1.8 4.62 559 489 A 32 SER H A 24 CYS HBx 1.0 1.8 4.62 560 490 A 33 GLY H A 24 CYS HBy 1.0 1.8 4.41 561 490 A 33 GLY H A 24 CYS HBx 1.0 1.8 4.41 562 491 A 43 CYS HA A 24 CYS HBy 1.0 1.8 4.26 563 491 A 43 CYS HA A 24 CYS HBx 1.0 1.8 4.26 564 492 A 43 CYS HBx A 24 CYS HBy 1.0 1.8 3.72 565 492 A 43 CYS HBx A 24 CYS HBx 1.0 1.8 3.72 566 493 A 25 LYS H A 25 LYS HBx 1.0 1.8 3.17 567 493 A 25 LYS H A 25 LYS HBy 1.0 1.8 3.17 568 494 A 25 LYS H A 25 LYS HGy 1.0 1.8 3.40 569 494 A 25 LYS H A 25 LYS HGx 1.0 1.8 3.40 570 495 A 25 LYS HA A 25 LYS HGy 1.0 1.8 3.59 571 495 A 25 LYS HA A 25 LYS HGx 1.0 1.8 3.59 572 496 A 26 ASN H A 25 LYS HBx 1.0 1.8 3.35 573 496 A 26 ASN H A 25 LYS HBy 1.0 1.8 3.35 574 497 A 26 ASN HA A 25 LYS HBx 1.0 1.8 5.24 575 497 A 26 ASN HA A 25 LYS HBy 1.0 1.8 5.24 576 498 A 32 SER HA A 25 LYS HBx 1.0 1.8 4.64 577 498 A 32 SER HA A 25 LYS HBy 1.0 1.8 4.64 578 499 A 25 LYS HEx A 25 LYS HGy 1.0 1.8 3.16 579 499 A 25 LYS HEy A 25 LYS HGy 1.0 1.8 3.16 580 499 A 25 LYS HGx A 25 LYS HEx 1.0 1.8 3.16 581 499 A 25 LYS HGx A 25 LYS HEy 1.0 1.8 3.16 582 500 A 32 SER HA A 25 LYS HEx 1.0 1.8 4.06 583 500 A 32 SER HA A 25 LYS HEy 1.0 1.8 4.06 584 501 A 26 ASN H A 26 ASN HBy 1.0 1.8 3.11 585 501 A 26 ASN H A 26 ASN HBx 1.0 1.8 3.11 586 502 A 26 ASN H A 26 ASN HD2y 1.0 1.8 4.45 587 502 A 26 ASN H A 26 ASN HD2x 1.0 1.8 4.45 588 503 A 26 ASN HD2y A 26 ASN HBy 1.0 1.8 2.98 589 503 A 26 ASN HD2y A 26 ASN HBx 1.0 1.8 2.98 590 503 A 26 ASN HD2x A 26 ASN HBx 1.0 1.8 2.98 591 503 A 26 ASN HD2x A 26 ASN HBy 1.0 1.8 2.98 592 504 A 27 LYS H A 26 ASN HBy 1.0 1.8 3.75 593 504 A 27 LYS H A 26 ASN HBx 1.0 1.8 3.75 594 505 A 27 LYS H A 27 LYS HBx 1.0 1.8 3.26 595 505 A 27 LYS H A 27 LYS HBy 1.0 1.8 3.26 596 506 A 27 LYS H A 27 LYS HGy 1.0 1.8 4.64 597 506 A 27 LYS H A 27 LYS HGx 1.0 1.8 4.64 598 507 A 27 LYS H A 27 LYS HDx 1.0 1.8 4.38 599 507 A 27 LYS H A 27 LYS HDy 1.0 1.8 4.38 600 508 A 27 LYS H A 28 GLU HGy 1.0 1.8 5.34 601 508 A 27 LYS H A 28 GLU HGx 1.0 1.8 5.34 602 509 A 27 LYS HA A 27 LYS HDx 1.0 1.8 3.32 603 509 A 27 LYS HA A 27 LYS HDy 1.0 1.8 3.32 604 510 A 28 GLU H A 27 LYS HBx 1.0 1.8 3.39 605 510 A 28 GLU H A 27 LYS HBy 1.0 1.8 3.39 606 511 A 28 GLU H A 28 GLU HBx 1.0 1.8 3.39 607 511 A 28 GLU H A 28 GLU HBy 1.0 1.8 3.39 608 512 A 28 GLU H A 28 GLU HGy 1.0 1.8 4.06 609 512 A 28 GLU H A 28 GLU HGx 1.0 1.8 4.06 610 513 A 28 GLU HA A 28 GLU HGy 1.0 1.8 3.24 611 513 A 28 GLU HA A 28 GLU HGx 1.0 1.8 3.24 612 514 A 29 HIS H A 28 GLU HBx 1.0 1.8 4.08 613 514 A 29 HIS H A 28 GLU HBy 1.0 1.8 4.08 614 515 A 30 LEU H A 28 GLU HBx 1.0 1.8 3.96 615 515 A 30 LEU H A 28 GLU HBy 1.0 1.8 3.96 616 516 A 28 GLU HBy A 30 LEU HBy 1.0 1.8 4.89 617 516 A 28 GLU HBx A 30 LEU HBy 1.0 1.8 4.89 618 516 A 30 LEU HBx A 28 GLU HBx 1.0 1.8 4.89 619 516 A 28 GLU HBy A 30 LEU HBx 1.0 1.8 4.89 620 517 A 30 LEU HG A 28 GLU HBx 1.0 1.8 3.82 621 517 A 30 LEU HG A 28 GLU HBy 1.0 1.8 3.82 622 518 A 30 LEU HDx% A 28 GLU HBx 1.0 1.8 3.62 623 518 A 30 LEU HDx% A 28 GLU HBy 1.0 1.8 3.62 624 519 A 29 HIS H A 28 GLU HGy 1.0 1.8 5.34 625 519 A 29 HIS H A 28 GLU HGx 1.0 1.8 5.34 626 520 A 29 HIS HE1 A 29 HIS HBy 1.0 1.8 4.70 627 520 A 29 HIS HBx A 29 HIS HE1 1.0 1.8 4.70 628 521 A 30 LEU H A 30 LEU HBy 1.0 1.8 3.27 629 521 A 30 LEU H A 30 LEU HBx 1.0 1.8 3.27 630 522 A 30 LEU HDx% A 30 LEU HBy 1.0 1.8 3.12 631 522 A 30 LEU HDx% A 30 LEU HBx 1.0 1.8 3.12 632 523 A 30 LEU HDy% A 30 LEU HBy 1.0 1.8 2.98 633 523 A 30 LEU HDy% A 30 LEU HBx 1.0 1.8 2.98 634 524 A 31 ARG H A 30 LEU HBy 1.0 1.8 2.83 635 524 A 31 ARG H A 30 LEU HBx 1.0 1.8 2.83 636 525 A 43 CYS HBx A 30 LEU HBy 1.0 1.8 4.02 637 525 A 43 CYS HBx A 30 LEU HBx 1.0 1.8 4.02 638 526 A 44 THR H A 30 LEU HBy 1.0 1.8 4.93 639 526 A 44 THR H A 30 LEU HBx 1.0 1.8 4.93 640 527 A 30 LEU HDy% A 45 LYS HBx 1.0 1.8 3.56 641 527 A 30 LEU HDy% A 45 LYS HBy 1.0 1.8 3.56 642 528 A 31 ARG H A 31 ARG HBx 1.0 1.8 3.01 643 528 A 31 ARG H A 31 ARG HBy 1.0 1.8 3.01 644 529 A 31 ARG H A 31 ARG HDx 1.0 1.8 4.74 645 529 A 31 ARG H A 31 ARG HDy 1.0 1.8 4.74 646 530 A 31 ARG HA A 31 ARG HGy 1.0 1.8 3.34 647 530 A 31 ARG HA A 31 ARG HGx 1.0 1.8 3.34 648 531 A 31 ARG HBy A 31 ARG HDx 1.0 1.8 3.33 649 531 A 31 ARG HBx A 31 ARG HDx 1.0 1.8 3.33 650 531 A 31 ARG HDy A 31 ARG HBx 1.0 1.8 3.33 651 531 A 31 ARG HBy A 31 ARG HDy 1.0 1.8 3.33 652 532 A 31 ARG HE A 31 ARG HBx 1.0 1.8 4.21 653 532 A 31 ARG HE A 31 ARG HBy 1.0 1.8 4.21 654 533 A 32 SER H A 31 ARG HBx 1.0 1.8 3.44 655 533 A 32 SER H A 31 ARG HBy 1.0 1.8 3.44 656 534 A 44 THR H A 31 ARG HBx 1.0 1.8 4.85 657 534 A 44 THR H A 31 ARG HBy 1.0 1.8 4.85 658 535 A 31 ARG HE A 31 ARG HGy 1.0 1.8 3.62 659 535 A 31 ARG HE A 31 ARG HGx 1.0 1.8 3.62 660 536 A 32 SER H A 31 ARG HGy 1.0 1.8 4.28 661 536 A 32 SER H A 31 ARG HGx 1.0 1.8 4.28 662 537 A 32 SER H A 31 ARG HDx 1.0 1.8 4.91 663 537 A 32 SER H A 31 ARG HDy 1.0 1.8 4.91 664 538 A 44 THR HG2% A 31 ARG HDx 1.0 1.8 3.30 665 538 A 44 THR HG2% A 31 ARG HDy 1.0 1.8 3.30 666 539 A 33 GLY H A 34 ARG HGy 1.0 1.8 4.98 667 539 A 33 GLY H A 34 ARG HGx 1.0 1.8 4.98 668 540 A 34 ARG H A 33 GLY HAy 1.0 1.8 2.99 669 540 A 34 ARG H A 33 GLY HAx 1.0 1.8 2.99 670 541 A 43 CYS HA A 33 GLY HAy 1.0 1.8 3.24 671 541 A 43 CYS HA A 33 GLY HAx 1.0 1.8 3.24 672 542 A 44 THR H A 33 GLY HAy 1.0 1.8 4.18 673 542 A 44 THR H A 33 GLY HAx 1.0 1.8 4.18 674 543 A 34 ARG H A 34 ARG HGy 1.0 1.8 3.76 675 543 A 34 ARG H A 34 ARG HGx 1.0 1.8 3.76 676 544 A 34 ARG HA A 34 ARG HGy 1.0 1.8 3.73 677 544 A 34 ARG HA A 34 ARG HGx 1.0 1.8 3.73 678 545 A 35 CYS H A 34 ARG HGy 1.0 1.8 4.48 679 545 A 35 CYS H A 34 ARG HGx 1.0 1.8 4.48 680 546 A 35 CYS H A 35 CYS HBy 1.0 1.8 3.33 681 546 A 35 CYS H A 35 CYS HBx 1.0 1.8 3.33 682 547 A 36 ARG H A 35 CYS HBy 1.0 1.8 3.68 683 547 A 36 ARG H A 35 CYS HBx 1.0 1.8 3.68 684 548 A 36 ARG H A 36 ARG HGy 1.0 1.8 3.98 685 548 A 36 ARG H A 36 ARG HGx 1.0 1.8 3.98 686 549 A 36 ARG HA A 36 ARG HGy 1.0 1.8 3.56 687 549 A 36 ARG HA A 36 ARG HGx 1.0 1.8 3.56 688 550 A 42 TRP HE3 A 36 ARG HGy 1.0 1.8 3.37 689 550 A 42 TRP HE3 A 36 ARG HGx 1.0 1.8 3.37 690 551 A 37 ASP H A 37 ASP HBx 1.0 1.8 3.15 691 551 A 37 ASP H A 37 ASP HBy 1.0 1.8 3.15 692 552 A 38 ASP H A 38 ASP HBy 1.0 1.8 3.46 693 552 A 38 ASP H A 38 ASP HBx 1.0 1.8 3.46 694 553 A 39 PHE H A 39 PHE HBy 1.0 1.8 3.65 695 553 A 39 PHE H A 39 PHE HBx 1.0 1.8 3.65 696 554 A 40 ARG H A 40 ARG HBx 1.0 1.8 3.49 697 554 A 40 ARG H A 40 ARG HBy 1.0 1.8 3.49 698 555 A 40 ARG H A 40 ARG HGx 1.0 1.8 4.73 699 555 A 40 ARG H A 40 ARG HGy 1.0 1.8 4.73 700 556 A 40 ARG HA A 40 ARG HGx 1.0 1.8 3.57 701 556 A 40 ARG HA A 40 ARG HGy 1.0 1.8 3.57 702 557 A 40 ARG HE A 40 ARG HBx 1.0 1.8 3.94 703 557 A 40 ARG HE A 40 ARG HBy 1.0 1.8 3.94 704 558 A 41 CYS H A 40 ARG HBx 1.0 1.8 4.34 705 558 A 41 CYS H A 40 ARG HBy 1.0 1.8 4.34 706 559 A 41 CYS H A 40 ARG HGx 1.0 1.8 3.35 707 559 A 41 CYS H A 40 ARG HGy 1.0 1.8 3.35 708 560 A 45 LYS H A 45 LYS HGx 1.0 1.8 3.57 709 560 A 45 LYS H A 45 LYS HGy 1.0 1.8 3.57 710 561 A 45 LYS HA A 45 LYS HGx 1.0 1.8 3.73 711 561 A 45 LYS HA A 45 LYS HGy 1.0 1.8 3.73 712 562 A 46 ASN H A 45 LYS HBx 1.0 1.8 3.24 713 562 A 46 ASN H A 45 LYS HBy 1.0 1.8 3.24 714 563 A 46 ASN H A 45 LYS HGx 1.0 1.8 4.13 715 563 A 46 ASN H A 45 LYS HGy 1.0 1.8 4.13 716 564 A 46 ASN H A 46 ASN HBy 1.0 1.8 3.12 717 564 A 46 ASN H A 46 ASN HBx 1.0 1.8 3.12 718 565 A 46 ASN H A 46 ASN HD2y 1.0 1.8 4.47 719 565 A 46 ASN H A 46 ASN HD2x 1.0 1.8 4.47 720 566 A 46 ASN HD2x A 46 ASN HBy 1.0 1.8 3.13 721 566 A 46 ASN HD2x A 46 ASN HBx 1.0 1.8 3.13 722 566 A 46 ASN HD2y A 46 ASN HBx 1.0 1.8 3.13 723 566 A 46 ASN HD2y A 46 ASN HBy 1.0 1.8 3.13 724 567 A 47 CYS H A 46 ASN HBy 1.0 1.8 3.62 725 567 A 47 CYS H A 46 ASN HBx 1.0 1.8 3.62 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 CYS H A 45 LYS O 1.0 0.0 2.0 2 2 A 45 LYS O A 3 CYS N 1.0 0.0 3.0 3 3 A 5 ASN H A 43 CYS O 1.0 0.0 2.0 4 4 A 43 CYS O A 5 ASN N 1.0 0.0 3.0 5 5 A 7 ALA H A 41 CYS O 1.0 0.0 2.0 6 6 A 41 CYS O A 7 ALA N 1.0 0.0 3.0 7 7 A 21 ASP H A 17 THR O 1.0 0.0 2.0 8 8 A 17 THR O A 21 ASP N 1.0 0.0 3.0 9 9 A 22 ASP H A 18 GLY O 1.0 0.0 2.0 10 10 A 18 GLY O A 22 ASP N 1.0 0.0 3.0 11 11 A 23 HIS H A 19 SER O 1.0 0.0 2.0 12 12 A 19 SER O A 23 HIS N 1.0 0.0 3.0 13 13 A 24 CYS H A 20 CYS O 1.0 0.0 2.0 14 14 A 20 CYS O A 24 CYS N 1.0 0.0 3.0 15 15 A 42 TRP H A 34 ARG O 1.0 0.0 2.0 16 16 A 34 ARG O A 42 TRP N 1.0 0.0 3.0 17 17 A 43 CYS H A 5 ASN O 1.0 0.0 2.0 18 18 A 5 ASN O A 43 CYS N 1.0 0.0 3.0 19 19 A 44 THR H A 32 SER O 1.0 0.0 2.0 20 20 A 32 SER O A 44 THR N 1.0 0.0 3.0 21 21 A 45 LYS H A 3 CYS O 1.0 0.0 2.0 22 22 A 3 CYS O A 45 LYS N 1.0 0.0 3.0 23 23 A 36 ARG H A 40 ARG O 1.0 0.0 2.0 24 24 A 40 ARG O A 36 ARG N 1.0 0.0 3.0 25 25 A 34 ARG H A 42 TRP O 1.0 0.0 2.0 26 26 A 42 TRP O A 34 ARG 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 LYS C A 2 THR N A 2 THR CA A 2 THR C 1.0 -140.0 -80.0 PHI 2 2 A 2 THR N A 2 THR CA A 2 THR C A 3 CYS N 1.0 110.0 170.0 PSI 3 3 A 2 THR C A 3 CYS N A 3 CYS CA A 3 CYS C 1.0 -180.0 -20.0 PHI 4 4 A 3 CYS C A 4 GLU N A 4 GLU CA A 4 GLU C 1.0 -150.0 -90.0 PHI 5 5 A 4 GLU N A 4 GLU CA A 4 GLU C A 5 ASN N 1.0 110.0 170.0 PSI 6 6 A 4 GLU C A 5 ASN N A 5 ASN CA A 5 ASN C 1.0 -160.0 -100.0 PHI 7 7 A 5 ASN N A 5 ASN CA A 5 ASN C A 6 LEU N 1.0 110.0 170.0 PSI 8 8 A 5 ASN C A 6 LEU N A 6 LEU CA A 6 LEU C 1.0 -100.0 -40.0 PHI 9 9 A 6 LEU N A 6 LEU CA A 6 LEU C A 7 ALA N 1.0 100.0 160.0 PSI 10 10 A 6 LEU C A 7 ALA N A 7 ALA CA A 7 ALA C 1.0 -100.0 -40.0 PHI 11 11 A 7 ALA N A 7 ALA CA A 7 ALA C A 8 ASP N 1.0 100.0 180.0 PSI 12 12 A 7 ALA C A 8 ASP N A 8 ASP CA A 8 ASP C 1.0 -110.0 -30.0 PHI 13 13 A 8 ASP N A 8 ASP CA A 8 ASP C A 9 THR N 1.0 -50.0 10.0 PSI 14 14 A 8 ASP C A 9 THR N A 9 THR CA A 9 THR C 1.0 -130.0 -70.0 PHI 15 15 A 9 THR C A 10 TYR N A 10 TYR CA A 10 TYR C 1.0 -100.0 -40.0 PHI 16 16 A 13 PRO N A 13 PRO CA A 13 PRO C A 14 CYS N 1.0 120.0 180.0 PSI 17 17 A 15 PHE C A 16 THR N A 16 THR CA A 16 THR C 1.0 -140.0 -80.0 PHI 18 18 A 16 THR N A 16 THR CA A 16 THR C A 17 THR N 1.0 90.0 170.0 PSI 19 19 A 16 THR C A 17 THR N A 17 THR CA A 17 THR C 1.0 -90.0 -30.0 PHI 20 20 A 17 THR N A 17 THR CA A 17 THR C A 18 GLY N 1.0 -60.0 0.0 PSI 21 21 A 17 THR C A 18 GLY N A 18 GLY CA A 18 GLY C 1.0 -80.0 -40.0 PHI 22 22 A 18 GLY N A 18 GLY CA A 18 GLY C A 19 SER N 1.0 -70.0 -10.0 PSI 23 23 A 18 GLY C A 19 SER N A 19 SER CA A 19 SER C 1.0 -90.0 -50.0 PHI 24 24 A 19 SER N A 19 SER CA A 19 SER C A 20 CYS N 1.0 -60.0 -20.0 PSI 25 25 A 19 SER C A 20 CYS N A 20 CYS CA A 20 CYS C 1.0 -90.0 -50.0 PHI 26 26 A 20 CYS N A 20 CYS CA A 20 CYS C A 21 ASP N 1.0 -60.0 -20.0 PSI 27 27 A 20 CYS C A 21 ASP N A 21 ASP CA A 21 ASP C 1.0 -80.0 -40.0 PHI 28 28 A 21 ASP N A 21 ASP CA A 21 ASP C A 22 ASP N 1.0 -60.0 -20.0 PSI 29 29 A 21 ASP C A 22 ASP N A 22 ASP CA A 22 ASP C 1.0 -90.0 -60.0 PHI 30 30 A 22 ASP N A 22 ASP CA A 22 ASP C A 23 HIS N 1.0 -60.0 -20.0 PSI 31 31 A 22 ASP C A 23 HIS N A 23 HIS CA A 23 HIS C 1.0 -90.0 -50.0 PHI 32 32 A 23 HIS N A 23 HIS CA A 23 HIS C A 24 CYS N 1.0 -60.0 -20.0 PSI 33 33 A 23 HIS C A 24 CYS N A 24 CYS CA A 24 CYS C 1.0 -90.0 -50.0 PHI 34 34 A 24 CYS N A 24 CYS CA A 24 CYS C A 25 LYS N 1.0 -60.0 -20.0 PSI 35 35 A 24 CYS C A 25 LYS N A 25 LYS CA A 25 LYS C 1.0 -80.0 -40.0 PHI 36 36 A 25 LYS N A 25 LYS CA A 25 LYS C A 26 ASN N 1.0 -70.0 -10.0 PSI 37 37 A 25 LYS C A 26 ASN N A 26 ASN CA A 26 ASN C 1.0 -90.0 -50.0 PHI 38 38 A 26 ASN N A 26 ASN CA A 26 ASN C A 27 LYS N 1.0 -60.0 0.0 PSI 39 39 A 26 ASN C A 27 LYS N A 27 LYS CA A 27 LYS C 1.0 -90.0 -50.0 PHI 40 40 A 27 LYS N A 27 LYS CA A 27 LYS C A 28 GLU N 1.0 -50.0 10.0 PSI 41 41 A 27 LYS C A 28 GLU N A 28 GLU CA A 28 GLU C 1.0 -120.0 -60.0 PHI 42 42 A 28 GLU N A 28 GLU CA A 28 GLU C A 29 HIS N 1.0 -40.0 20.0 PSI 43 43 A 30 LEU C A 31 ARG N A 31 ARG CA A 31 ARG C 1.0 -100.0 -40.0 PHI 44 44 A 31 ARG N A 31 ARG CA A 31 ARG C A 32 SER N 1.0 -60.0 0.0 PSI 45 45 A 33 GLY C A 34 ARG N A 34 ARG CA A 34 ARG C 1.0 -160.0 -80.0 PHI 46 46 A 34 ARG N A 34 ARG CA A 34 ARG C A 35 CYS N 1.0 120.0 180.0 PSI 47 47 A 34 ARG C A 35 CYS N A 35 CYS CA A 35 CYS C 1.0 -120.0 -60.0 PHI 48 48 A 35 CYS N A 35 CYS CA A 35 CYS C A 36 ARG N 1.0 80.0 160.0 PSI 49 49 A 35 CYS C A 36 ARG N A 36 ARG CA A 36 ARG C 1.0 -110.0 -50.0 PHI 50 50 A 36 ARG N A 36 ARG CA A 36 ARG C A 37 ASP N 1.0 140.0 180.0 PSI 51 51 A 36 ARG C A 37 ASP N A 37 ASP CA A 37 ASP C 1.0 -100.0 -40.0 PHI 52 52 A 37 ASP N A 37 ASP CA A 37 ASP C A 38 ASP N 1.0 -50.0 10.0 PSI 53 53 A 37 ASP C A 38 ASP N A 38 ASP CA A 38 ASP C 1.0 -120.0 -60.0 PHI 54 54 A 38 ASP C A 39 PHE N A 39 PHE CA A 39 PHE C 1.0 30.0 90.0 PHI 55 55 A 39 PHE N A 39 PHE CA A 39 PHE C A 40 ARG N 1.0 0.0 60.0 PSI 56 56 A 39 PHE C A 40 ARG N A 40 ARG CA A 40 ARG C 1.0 -130.0 -70.0 PHI 57 57 A 40 ARG N A 40 ARG CA A 40 ARG C A 41 CYS N 1.0 120.0 180.0 PSI 58 58 A 40 ARG C A 41 CYS N A 41 CYS CA A 41 CYS C 1.0 -110.0 -50.0 PHI 59 59 A 41 CYS N A 41 CYS CA A 41 CYS C A 42 TRP N 1.0 80.0 160.0 PSI 60 60 A 41 CYS C A 42 TRP N A 42 TRP CA A 42 TRP C 1.0 -160.0 -80.0 PHI 61 61 A 42 TRP N A 42 TRP CA A 42 TRP C A 43 CYS N 1.0 100.0 170.0 PSI 62 62 A 42 TRP C A 43 CYS N A 43 CYS CA A 43 CYS C 1.0 -130.0 -70.0 PHI 63 63 A 43 CYS N A 43 CYS CA A 43 CYS C A 44 THR N 1.0 90.0 150.0 PSI 64 64 A 43 CYS C A 44 THR N A 44 THR CA A 44 THR C 1.0 -140.0 -80.0 PHI 65 65 A 44 THR N A 44 THR CA A 44 THR C A 45 LYS N 1.0 100.0 160.0 PSI 66 66 A 44 THR C A 45 LYS N A 45 LYS CA A 45 LYS C 1.0 -170.0 -110.0 PHI 67 67 A 45 LYS N A 45 LYS CA A 45 LYS C A 46 ASN N 1.0 120.0 180.0 PSI 68 68 A 45 LYS C A 46 ASN N A 46 ASN CA A 46 ASN C 1.0 -100.0 -40.0 PHI 69 69 A 46 ASN N A 46 ASN CA A 46 ASN C A 47 CYS N 1.0 110.0 170.0 PSI 70 70 A 4 GLU N A 4 GLU CA A 4 GLU CB A 4 GLU CG 1.0 150.0 210.0 CHI1 71 71 A 6 LEU N A 6 LEU CA A 6 LEU CB A 6 LEU CG 1.0 -90.0 -30.0 CHI1 72 72 A 10 TYR N A 10 TYR CA A 10 TYR CB A 10 TYR CG 1.0 150.0 210.0 CHI1 73 73 A 15 PHE N A 15 PHE CA A 15 PHE CB A 15 PHE CG 1.0 -90.0 -30.0 CHI1 74 74 A 20 CYS N A 20 CYS CA A 20 CYS CB A 20 CYS SG 1.0 -210.0 -30.0 CHI1 75 75 A 23 HIS N A 23 HIS CA A 23 HIS CB A 23 HIS CG 1.0 150.0 210.0 CHI1 76 76 A 24 CYS N A 24 CYS CA A 24 CYS CB A 24 CYS SG 1.0 -90.0 -30.0 CHI1 77 77 A 26 ASN N A 26 ASN CA A 26 ASN CB A 26 ASN CG 1.0 -90.0 -30.0 CHI1 78 78 A 30 LEU N A 30 LEU CA A 30 LEU CB A 30 LEU CG 1.0 -90.0 -30.0 CHI1 79 79 A 31 ARG N A 31 ARG CA A 31 ARG CB A 31 ARG CG 1.0 150.0 210.0 CHI1 80 80 A 35 CYS N A 35 CYS CA A 35 CYS CB A 35 CYS SG 1.0 -90.0 -30.0 CHI1 81 81 A 41 CYS N A 41 CYS CA A 41 CYS CB A 41 CYS SG 1.0 -90.0 -30.0 CHI1 82 82 A 43 CYS N A 43 CYS CA A 43 CYS CB A 43 CYS SG 1.0 -90.0 -30.0 CHI1 83 83 A 46 ASN N A 46 ASN CA A 46 ASN CB A 46 ASN CG 1.0 -90.0 -30.0 CHI1 stop_ save_