data_nef_c30783_7jn6 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 7JN6 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 32 CYS SG 1 15 CYS SG 1 36 CYS SG 1 20 CYS SG 1 45 CYS SG 1 24 CYS SG 1 47 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 ALA start . . 2 A 2 HIS middle . . 3 A 3 CYS middle -HG . 4 A 4 ASP middle . . 5 A 5 HIS middle . . 6 A 6 PHE middle . . 7 A 7 LEU middle . . 8 A 8 GLY middle . false 9 A 9 GLU middle . . 10 A 10 ALA middle . . 11 A 11 PRO middle . false 12 A 12 VAL middle . . 13 A 13 TYR middle . . 14 A 14 PRO middle . true 15 A 15 CYS middle -HG . 16 A 16 LYS middle . . 17 A 17 GLU middle . . 18 A 18 LYS middle . . 19 A 19 ALA middle . . 20 A 20 CYS middle -HG . 21 A 21 LYS middle . . 22 A 22 SER middle . . 23 A 23 VAL middle . . 24 A 24 CYS middle -HG . 25 A 25 LYS middle . . 26 A 26 GLU middle . . 27 A 27 HIS middle . . 28 A 28 TYR middle . . 29 A 29 HIS middle . . 30 A 30 HIS middle . . 31 A 31 ALA middle . . 32 A 32 CYS middle -HG . 33 A 33 LYS middle . . 34 A 34 GLY middle . false 35 A 35 GLU middle . . 36 A 36 CYS middle -HG . 37 A 37 GLU middle . . 38 A 38 TYR middle . . 39 A 39 HIS middle . . 40 A 40 GLY middle . false 41 A 41 ARG middle . . 42 A 42 GLU middle . . 43 A 43 VAL middle . . 44 A 44 HIS middle . . 45 A 45 CYS middle -HG . 46 A 46 HIS middle . . 47 A 47 CYS middle -HG . 48 A 48 TYR middle . . 49 A 49 GLY middle . false 50 A 50 ASP middle . . 51 A 51 TYR middle . . 52 A 52 HIS end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 ALA HA H 1 4.066 0.001 A 1 ALA HB% H 1 1.495 0.002 A 1 ALA CA C 13 51.589 0.000 A 1 ALA CB C 13 19.224 0.000 A 2 HIS H H 1 8.884 0.000 A 2 HIS HA H 1 4.702 0.004 A 2 HIS HBx H 1 3.184 0.002 A 2 HIS HBy H 1 3.250 0.005 A 2 HIS HD2 H 1 7.325 0.002 A 2 HIS HE1 H 1 8.620 0.000 A 2 HIS CA C 13 55.568 0.000 A 2 HIS CB C 13 29.192 0.009 A 2 HIS N N 15 117.225 0.000 A 3 CYS H H 1 9.004 0.001 A 3 CYS HA H 1 4.384 0.001 A 3 CYS HBx H 1 2.790 0.008 A 3 CYS HBy H 1 3.381 0.002 A 3 CYS CA C 13 56.588 0.000 A 3 CYS CB C 13 41.994 0.007 A 3 CYS N N 15 122.965 0.000 A 4 ASP H H 1 8.058 0.002 A 4 ASP HA H 1 4.733 0.003 A 4 ASP HBx H 1 2.545 0.008 A 4 ASP HBy H 1 2.808 0.010 A 4 ASP CA C 13 52.813 0.000 A 4 ASP CB C 13 40.517 0.052 A 4 ASP N N 15 116.990 0.000 A 5 HIS H H 1 9.070 0.001 A 5 HIS HA H 1 4.978 0.003 A 5 HIS HBx H 1 2.707 0.016 A 5 HIS HBy H 1 3.090 0.003 A 5 HIS HD2 H 1 7.097 0.001 A 5 HIS HE1 H 1 8.603 0.000 A 5 HIS CB C 13 28.250 0.000 A 5 HIS N N 15 119.754 0.000 A 6 PHE H H 1 9.363 0.002 A 6 PHE HA H 1 3.973 0.001 A 6 PHE HBx H 1 2.791 0.003 A 6 PHE HBy H 1 3.108 0.002 A 6 PHE HDx H 1 6.829 0.002 A 6 PHE HDy H 1 6.829 0.002 A 6 PHE HEx H 1 6.751 0.000 A 6 PHE HEy H 1 6.751 0.000 A 6 PHE CA C 13 58.614 0.000 A 6 PHE CB C 13 38.557 0.017 A 6 PHE N N 15 130.346 0.000 A 7 LEU H H 1 8.247 0.001 A 7 LEU HA H 1 3.846 0.002 A 7 LEU HBx H 1 0.205 0.004 A 7 LEU HBy H 1 0.436 0.010 A 7 LEU HDx% H 1 0.523 0.005 A 7 LEU HDy% H 1 0.438 0.010 A 7 LEU HG H 1 1.373 0.002 A 7 LEU CA C 13 54.020 0.000 A 7 LEU CB C 13 43.144 0.007 A 7 LEU CDx C 13 21.859 0.000 A 7 LEU CDy C 13 25.546 0.000 A 7 LEU N N 15 126.881 0.000 A 8 GLY H H 1 5.162 0.004 A 8 GLY HAx H 1 2.976 0.007 A 8 GLY HAy H 1 4.103 0.003 A 8 GLY CA C 13 44.183 0.021 A 9 GLU H H 1 8.603 0.001 A 9 GLU HA H 1 5.375 0.002 A 9 GLU HBx H 1 2.005 0.000 A 9 GLU HBy H 1 2.081 0.004 A 9 GLU HGx H 1 2.465 0.004 A 9 GLU HGy H 1 2.465 0.004 A 9 GLU CA C 13 54.351 0.000 A 9 GLU CB C 13 32.065 0.000 A 9 GLU CG C 13 33.711 0.000 A 9 GLU N N 15 117.893 0.000 A 10 ALA H H 1 7.883 0.002 A 10 ALA HA H 1 4.743 0.008 A 10 ALA HB% H 1 1.107 0.005 A 10 ALA CA C 13 49.013 0.000 A 10 ALA CB C 13 21.008 0.000 A 10 ALA N N 15 123.601 0.000 A 11 PRO HA H 1 4.473 0.007 A 11 PRO HBx H 1 2.045 0.000 A 11 PRO HBy H 1 2.144 0.000 A 11 PRO HDx H 1 3.062 0.006 A 11 PRO HDy H 1 3.512 0.003 A 11 PRO HGx H 1 2.046 0.000 A 11 PRO HGy H 1 2.144 0.000 A 11 PRO CA C 13 63.055 0.000 A 11 PRO CB C 13 30.476 0.009 A 11 PRO CD C 13 50.001 0.042 A 11 PRO CG C 13 27.496 0.009 A 12 VAL H H 1 7.324 0.003 A 12 VAL HA H 1 4.094 0.001 A 12 VAL HB H 1 2.017 0.006 A 12 VAL HGx% H 1 0.900 0.007 A 12 VAL HGy% H 1 0.856 0.004 A 12 VAL CA C 13 61.721 0.000 A 12 VAL CB C 13 33.250 0.000 A 12 VAL CGx C 13 20.984 0.000 A 12 VAL CGy C 13 21.847 0.000 A 12 VAL N N 15 124.184 0.000 A 13 TYR H H 1 8.449 0.004 A 13 TYR HA H 1 4.677 0.007 A 13 TYR HBx H 1 2.857 0.003 A 13 TYR HBy H 1 2.857 0.003 A 13 TYR HDx H 1 7.113 0.004 A 13 TYR HDy H 1 7.113 0.004 A 13 TYR HEx H 1 6.805 0.000 A 13 TYR HEy H 1 6.805 0.000 A 13 TYR CA C 13 55.127 0.000 A 13 TYR CB C 13 41.273 0.000 A 14 PRO HA H 1 4.163 0.005 A 14 PRO HBx H 1 1.735 0.003 A 14 PRO HBy H 1 2.137 0.001 A 14 PRO HDx H 1 3.337 0.005 A 14 PRO HDy H 1 3.549 0.002 A 14 PRO HGx H 1 1.734 0.002 A 14 PRO HGy H 1 1.734 0.002 A 14 PRO CA C 13 62.135 0.000 A 14 PRO CB C 13 33.999 0.004 A 14 PRO CD C 13 49.794 0.015 A 14 PRO CG C 13 25.311 0.000 A 15 CYS H H 1 9.277 0.001 A 15 CYS HA H 1 4.013 0.003 A 15 CYS HBx H 1 2.763 0.006 A 15 CYS HBy H 1 2.989 0.001 A 15 CYS CA C 13 61.211 0.000 A 15 CYS CB C 13 41.827 0.000 A 15 CYS N N 15 122.665 0.000 A 16 LYS H H 1 6.682 0.002 A 16 LYS HA H 1 4.624 0.003 A 16 LYS HBx H 1 1.994 0.005 A 16 LYS HBy H 1 1.994 0.005 A 16 LYS HDx H 1 1.686 0.004 A 16 LYS HDy H 1 1.779 0.007 A 16 LYS HEx H 1 2.916 0.004 A 16 LYS HEy H 1 2.916 0.004 A 16 LYS HGx H 1 1.377 0.007 A 16 LYS HGy H 1 1.377 0.007 A 16 LYS CB C 13 31.397 0.000 A 16 LYS CD C 13 28.796 0.027 A 16 LYS CE C 13 42.092 0.000 A 16 LYS CG C 13 25.171 0.000 A 16 LYS N N 15 128.176 0.000 A 17 GLU H H 1 9.138 0.001 A 17 GLU HA H 1 3.907 0.001 A 17 GLU HBx H 1 2.142 0.002 A 17 GLU HBy H 1 2.252 0.002 A 17 GLU HGx H 1 2.520 0.000 A 17 GLU HGy H 1 2.614 0.001 A 17 GLU CA C 13 60.846 0.000 A 17 GLU CB C 13 28.392 0.000 A 17 GLU N N 15 125.260 0.000 A 18 LYS H H 1 8.953 0.001 A 18 LYS HA H 1 3.993 0.003 A 18 LYS HBx H 1 1.815 0.000 A 18 LYS HBy H 1 1.882 0.000 A 18 LYS HDx H 1 1.705 0.000 A 18 LYS HDy H 1 1.705 0.000 A 18 LYS HEx H 1 3.005 0.000 A 18 LYS HEy H 1 3.005 0.000 A 18 LYS HGx H 1 1.421 0.000 A 18 LYS HGy H 1 1.561 0.000 A 18 LYS CA C 13 60.457 0.000 A 18 LYS CB C 13 31.995 0.051 A 18 LYS N N 15 118.658 0.000 A 19 ALA H H 1 7.061 0.002 A 19 ALA HA H 1 4.272 0.005 A 19 ALA HB% H 1 1.460 0.000 A 19 ALA CA C 13 54.449 0.000 A 19 ALA CB C 13 19.142 0.000 A 19 ALA N N 15 121.049 0.000 A 20 CYS H H 1 8.594 0.000 A 20 CYS HA H 1 4.624 0.002 A 20 CYS HBx H 1 2.725 0.010 A 20 CYS HBy H 1 3.106 0.005 A 20 CYS N N 15 115.578 0.000 A 21 LYS H H 1 8.561 0.002 A 21 LYS HA H 1 3.604 0.001 A 21 LYS HBx H 1 2.010 0.003 A 21 LYS HBy H 1 2.094 0.000 A 21 LYS HDx H 1 1.775 0.000 A 21 LYS HDy H 1 1.832 0.000 A 21 LYS HEx H 1 2.984 0.001 A 21 LYS HEy H 1 2.984 0.001 A 21 LYS HGx H 1 1.379 0.000 A 21 LYS HGy H 1 1.423 0.000 A 21 LYS CA C 13 61.480 0.000 A 21 LYS CB C 13 31.983 0.000 A 21 LYS CD C 13 29.534 0.000 A 21 LYS CE C 13 41.939 0.000 A 21 LYS N N 15 119.629 0.000 A 22 SER H H 1 7.727 0.002 A 22 SER HA H 1 4.160 0.001 A 22 SER HBx H 1 3.991 0.005 A 22 SER HBy H 1 4.007 0.008 A 22 SER CA C 13 62.710 0.000 A 22 SER CB C 13 62.759 0.009 A 22 SER N N 15 112.355 0.000 A 23 VAL H H 1 8.811 0.003 A 23 VAL HA H 1 3.927 0.005 A 23 VAL HB H 1 1.991 0.002 A 23 VAL HGx% H 1 1.092 0.002 A 23 VAL HGy% H 1 0.911 0.001 A 23 VAL CA C 13 66.250 0.000 A 23 VAL CGy C 13 22.648 0.000 A 23 VAL CGx C 13 22.226 0.000 A 24 CYS H H 1 8.818 0.002 A 24 CYS HA H 1 4.407 0.002 A 24 CYS HBx H 1 2.505 0.001 A 24 CYS HBy H 1 3.223 0.001 A 24 CYS CA C 13 59.592 0.000 A 24 CYS CB C 13 35.698 0.002 A 25 LYS H H 1 7.653 0.001 A 25 LYS HA H 1 4.319 0.005 A 25 LYS HBx H 1 1.875 0.001 A 25 LYS HBy H 1 1.980 0.003 A 25 LYS HEx H 1 2.988 0.000 A 25 LYS HEy H 1 2.988 0.000 A 25 LYS HGx H 1 1.510 0.004 A 25 LYS HGy H 1 1.642 0.000 A 25 LYS CA C 13 58.683 0.000 A 25 LYS CB C 13 32.187 0.000 A 25 LYS CG C 13 25.572 0.000 A 25 LYS N N 15 118.005 0.000 A 26 GLU H H 1 7.549 0.001 A 26 GLU HA H 1 4.125 0.006 A 26 GLU HBx H 1 2.150 0.005 A 26 GLU HBy H 1 2.223 0.001 A 26 GLU HGx H 1 2.400 0.012 A 26 GLU HGy H 1 2.596 0.007 A 26 GLU CA C 13 57.716 0.000 A 26 GLU CB C 13 28.443 0.000 A 26 GLU CG C 13 33.249 0.068 A 26 GLU N N 15 116.524 0.000 A 27 HIS H H 1 7.861 0.003 A 27 HIS HA H 1 4.171 0.005 A 27 HIS HBx H 1 2.546 0.004 A 27 HIS HBy H 1 2.784 0.004 A 27 HIS HD2 H 1 6.989 0.001 A 27 HIS HE1 H 1 8.642 0.000 A 27 HIS CA C 13 57.254 0.000 A 27 HIS CB C 13 29.863 0.010 A 27 HIS N N 15 114.596 0.000 A 28 TYR H H 1 8.433 0.001 A 28 TYR HA H 1 4.651 0.002 A 28 TYR HBx H 1 2.825 0.008 A 28 TYR HBy H 1 2.960 0.004 A 28 TYR HDx H 1 7.193 0.002 A 28 TYR HDy H 1 7.193 0.002 A 28 TYR HEx H 1 6.490 0.000 A 28 TYR HEy H 1 6.490 0.000 A 29 HIS H H 1 8.801 0.003 A 29 HIS HA H 1 4.633 0.005 A 29 HIS HBx H 1 3.048 0.003 A 29 HIS HBy H 1 3.048 0.003 A 29 HIS HD2 H 1 7.202 0.000 A 29 HIS HE1 H 1 8.594 0.000 A 29 HIS CB C 13 28.098 0.000 A 29 HIS N N 15 119.998 0.000 A 30 HIS H H 1 8.992 0.002 A 30 HIS HA H 1 4.810 0.006 A 30 HIS HBx H 1 3.166 0.002 A 30 HIS HBy H 1 3.558 0.004 A 30 HIS HD2 H 1 7.278 0.009 A 30 HIS HE1 H 1 8.638 0.000 A 30 HIS CA C 13 58.699 0.000 A 30 HIS CB C 13 27.494 0.009 A 30 HIS N N 15 114.472 0.000 A 31 ALA H H 1 8.115 0.002 A 31 ALA HA H 1 4.411 0.002 A 31 ALA HB% H 1 1.342 0.000 A 31 ALA CA C 13 53.350 0.000 A 31 ALA CB C 13 18.820 0.000 A 31 ALA N N 15 122.241 0.000 A 32 CYS H H 1 9.662 0.001 A 32 CYS HA H 1 5.020 0.003 A 32 CYS HBx H 1 3.164 0.004 A 32 CYS HBy H 1 3.647 0.000 A 32 CYS CA C 13 54.220 0.000 A 32 CYS CB C 13 42.926 0.037 A 32 CYS N N 15 115.952 0.000 A 33 LYS H H 1 8.019 0.001 A 33 LYS HA H 1 4.644 0.003 A 33 LYS HBx H 1 1.928 0.000 A 33 LYS HBy H 1 2.108 0.000 A 33 LYS HEx H 1 2.573 0.000 A 33 LYS HEy H 1 2.751 0.000 A 33 LYS HGx H 1 1.338 0.000 A 33 LYS HGy H 1 1.516 0.000 A 33 LYS CB C 13 35.781 0.034 A 33 LYS CE C 13 41.653 0.019 A 33 LYS CG C 13 25.486 0.000 A 33 LYS N N 15 119.120 0.000 A 34 GLY H H 1 8.078 0.003 A 34 GLY HAx H 1 3.433 0.004 A 34 GLY HAy H 1 5.612 0.011 A 34 GLY CA C 13 46.500 0.011 A 34 GLY N N 15 110.558 0.000 A 35 GLU H H 1 9.375 0.001 A 35 GLU HA H 1 4.911 0.008 A 35 GLU HBx H 1 2.031 0.007 A 35 GLU HBy H 1 2.265 0.015 A 35 GLU HGx H 1 2.299 0.013 A 35 GLU HGy H 1 2.475 0.007 A 35 GLU CA C 13 54.035 0.000 A 35 GLU CB C 13 33.191 0.000 A 35 GLU CG C 13 32.812 0.008 A 35 GLU N N 15 122.401 0.000 A 36 CYS H H 1 9.180 0.001 A 36 CYS HA H 1 5.014 0.004 A 36 CYS HBx H 1 2.642 0.006 A 36 CYS HBy H 1 2.920 0.004 A 36 CYS CB C 13 40.264 0.025 A 37 GLU H H 1 8.779 0.003 A 37 GLU HA H 1 4.746 0.006 A 37 GLU HBx H 1 1.372 0.003 A 37 GLU HBy H 1 1.951 0.000 A 37 GLU HGx H 1 2.236 0.004 A 37 GLU HGy H 1 2.236 0.004 A 37 GLU CA C 13 54.533 0.000 A 37 GLU CB C 13 32.335 0.000 A 37 GLU CG C 13 34.705 0.000 A 37 GLU N N 15 124.230 0.000 A 38 TYR H H 1 9.148 0.003 A 38 TYR HA H 1 4.819 0.011 A 38 TYR HBx H 1 2.881 0.016 A 38 TYR HBy H 1 3.018 0.008 A 38 TYR HDx H 1 7.061 0.004 A 38 TYR HDy H 1 7.061 0.004 A 38 TYR HEx H 1 6.742 0.002 A 38 TYR HEy H 1 6.742 0.002 A 38 TYR CA C 13 54.596 0.000 A 38 TYR CB C 13 39.520 0.002 A 38 TYR N N 15 124.944 0.000 A 39 HIS H H 1 8.822 0.003 A 39 HIS HA H 1 4.720 0.004 A 39 HIS HBx H 1 3.077 0.004 A 39 HIS HBy H 1 3.159 0.000 A 39 HIS CA C 13 55.538 0.000 A 39 HIS CB C 13 29.709 0.000 A 40 GLY H H 1 9.040 0.001 A 40 GLY HAx H 1 3.647 0.002 A 40 GLY HAy H 1 4.007 0.001 A 40 GLY CA C 13 46.830 0.015 A 40 GLY N N 15 117.091 0.000 A 41 ARG H H 1 8.827 0.003 A 41 ARG HA H 1 4.374 0.005 A 41 ARG HBx H 1 1.868 0.008 A 41 ARG HBy H 1 2.095 0.008 A 41 ARG HDx H 1 3.244 0.006 A 41 ARG HDy H 1 3.244 0.006 A 41 ARG HE H 1 7.211 0.001 A 41 ARG HGx H 1 1.693 0.005 A 41 ARG HGy H 1 1.693 0.005 A 41 ARG CA C 13 56.527 0.000 A 41 ARG CB C 13 30.279 0.010 A 41 ARG CD C 13 43.172 0.000 A 41 ARG CG C 13 27.375 0.000 A 42 GLU H H 1 7.706 0.003 A 42 GLU HA H 1 4.656 0.005 A 42 GLU HBx H 1 2.053 0.006 A 42 GLU HBy H 1 2.122 0.002 A 42 GLU HGx H 1 2.427 0.002 A 42 GLU HGy H 1 2.427 0.002 A 42 GLU CB C 13 31.531 0.000 A 42 GLU CG C 13 34.779 0.000 A 42 GLU N N 15 117.713 0.000 A 43 VAL H H 1 8.464 0.002 A 43 VAL HA H 1 4.404 0.003 A 43 VAL HB H 1 1.633 0.002 A 43 VAL HGx% H 1 0.723 0.001 A 43 VAL HGy% H 1 0.514 0.009 A 43 VAL CA C 13 60.663 0.000 A 43 VAL CB C 13 33.021 0.000 A 43 VAL CGx C 13 21.263 0.000 A 43 VAL CGy C 13 21.870 0.000 A 43 VAL N N 15 122.053 0.000 A 44 HIS H H 1 8.542 0.000 A 44 HIS HA H 1 5.060 0.002 A 44 HIS HBx H 1 2.773 0.002 A 44 HIS HBy H 1 3.082 0.003 A 44 HIS HD2 H 1 7.308 0.001 A 44 HIS HE1 H 1 8.632 0.000 A 44 HIS CA C 13 53.638 0.000 A 44 HIS CB C 13 33.103 0.009 A 45 CYS H H 1 9.497 0.001 A 45 CYS HA H 1 4.984 0.001 A 45 CYS HBx H 1 3.097 0.008 A 45 CYS HBy H 1 3.542 0.003 A 45 CYS CB C 13 36.511 0.023 A 45 CYS N N 15 124.005 0.000 A 46 HIS H H 1 9.673 0.001 A 46 HIS HA H 1 5.041 0.001 A 46 HIS HBx H 1 2.895 0.006 A 46 HIS HBy H 1 3.710 0.006 A 46 HIS HD2 H 1 7.146 0.003 A 46 HIS CA C 13 54.103 0.000 A 46 HIS CB C 13 32.585 0.028 A 46 HIS N N 15 128.615 0.000 A 47 CYS H H 1 8.526 0.004 A 47 CYS HA H 1 5.520 0.001 A 47 CYS HBx H 1 2.103 0.001 A 47 CYS HBy H 1 2.583 0.005 A 47 CYS CA C 13 51.945 0.000 A 47 CYS CB C 13 37.418 0.005 A 47 CYS N N 15 119.823 0.000 A 48 TYR H H 1 8.875 0.001 A 48 TYR HA H 1 5.250 0.003 A 48 TYR HBx H 1 2.656 0.004 A 48 TYR HBy H 1 2.790 0.004 A 48 TYR HDx H 1 6.743 0.002 A 48 TYR HDy H 1 6.743 0.002 A 48 TYR HEx H 1 6.842 0.000 A 48 TYR HEy H 1 6.842 0.000 A 48 TYR CA C 13 57.129 0.000 A 48 TYR CB C 13 43.472 0.007 A 48 TYR N N 15 120.732 0.000 A 49 GLY H H 1 9.601 0.003 A 49 GLY HAx H 1 3.962 0.002 A 49 GLY HAy H 1 5.304 0.003 A 49 GLY CA C 13 45.083 0.000 A 49 GLY N N 15 109.934 0.000 A 50 ASP H H 1 8.644 0.004 A 50 ASP HA H 1 5.216 0.004 A 50 ASP HBx H 1 2.770 0.004 A 50 ASP HBy H 1 2.846 0.003 A 50 ASP CA C 13 53.151 0.000 A 50 ASP CB C 13 41.078 0.000 A 50 ASP N N 15 118.966 0.000 A 51 TYR H H 1 8.452 0.004 A 51 TYR HA H 1 4.376 0.006 A 51 TYR HBx H 1 2.742 0.004 A 51 TYR HBy H 1 2.903 0.003 A 51 TYR HDx H 1 6.941 0.004 A 51 TYR HDy H 1 6.941 0.004 A 51 TYR HEx H 1 6.652 0.000 A 51 TYR HEy H 1 6.652 0.000 A 51 TYR CA C 13 58.297 0.000 A 51 TYR CB C 13 39.337 0.005 A 52 HIS H H 1 7.959 0.001 A 52 HIS HA H 1 4.272 0.001 A 52 HIS HBx H 1 3.047 0.005 A 52 HIS HBy H 1 3.157 0.004 A 52 HIS HD2 H 1 7.138 0.000 A 52 HIS CA C 13 56.462 0.000 A 52 HIS CB C 13 29.570 0.018 A 52 HIS N N 15 122.946 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 2 HIS HA A 2 HIS HD2 1.0 1.8 4.78 2 2 A 2 HIS HA A 3 CYS H 1.0 1.8 3.28 3 3 A 3 CYS H A 3 CYS HBy 1.0 1.8 3.89 4 4 A 3 CYS H A 3 CYS HBx 1.0 1.8 3.89 5 5 A 3 CYS HA A 4 ASP H 1.0 1.8 3.35 6 6 A 4 ASP H A 4 ASP HBy 1.0 1.8 4.05 7 7 A 4 ASP H A 4 ASP HBx 1.0 1.8 4.05 8 8 A 4 ASP H A 5 HIS H 1.0 1.8 3.42 9 9 A 5 HIS HA A 5 HIS HD2 1.0 1.8 4.31 10 10 A 5 HIS H A 5 HIS HBx 1.0 1.8 3.62 11 11 A 5 HIS H A 5 HIS HBy 1.0 1.8 3.62 12 12 A 9 GLU H A 9 GLU HGx 1.0 1.8 4.79 13 13 A 9 GLU H A 9 GLU HGy 1.0 1.8 4.79 14 14 A 9 GLU H A 8 GLY HAx 1.0 1.8 3.44 15 15 A 9 GLU H A 8 GLY HAy 1.0 1.8 3.44 16 16 A 10 ALA HA A 11 PRO HDx 1.0 1.8 3.52 17 17 A 10 ALA HA A 11 PRO HDy 1.0 1.8 3.52 18 18 A 10 ALA H A 10 ALA HB% 1.0 1.8 3.36 19 19 A 10 ALA H A 46 HIS HA 1.0 1.8 5.48 20 20 A 10 ALA H A 9 GLU HA 1.0 1.8 3.14 21 21 A 11 PRO HA A 12 VAL H 1.0 1.8 2.97 22 22 A 12 VAL HA A 12 VAL HGx% 1.0 1.8 3.57 23 23 A 12 VAL HA A 12 VAL HGy% 1.0 1.8 3.57 24 24 A 10 ALA HB% A 12 VAL H 1.0 1.8 5.50 25 25 A 12 VAL H A 12 VAL HB 1.0 1.8 3.70 26 26 A 12 VAL H A 13 TYR H 1.0 1.8 4.55 27 27 A 12 VAL HA A 13 TYR H 1.0 1.8 2.83 28 28 A 50 ASP HA A 51 TYR H 1.0 1.8 3.26 29 29 A 13 TYR HA A 14 PRO HA 1.0 1.8 3.28 30 30 A 13 TYR H A 13 TYR HD% 1.0 1.8 4.57 31 31 A 13 TYR HA A 13 TYR HD% 1.0 1.8 3.54 32 32 A 13 TYR HA A 13 TYR HE% 1.0 1.8 5.01 33 33 A 14 PRO HBx A 15 CYS H 1.0 1.8 3.81 34 34 A 14 PRO HA A 15 CYS H 1.0 1.8 3.12 35 35 A 15 CYS H A 14 PRO HBy 1.0 1.8 4.08 36 36 A 15 CYS H A 15 CYS HBx 1.0 1.8 3.46 37 37 A 15 CYS H A 15 CYS HBy 1.0 1.8 3.46 38 38 A 13 TYR HA A 15 CYS H 1.0 1.8 3.88 39 39 A 15 CYS H A 16 LYS H 1.0 1.8 4.68 40 40 A 16 LYS H A 15 CYS HA 1.0 1.8 2.85 41 41 A 16 LYS HA A 16 LYS HDx 1.0 1.8 4.38 42 42 A 16 LYS HA A 16 LYS HDy 1.0 1.8 4.38 43 43 A 16 LYS HA A 19 ALA HB% 1.0 1.8 4.88 44 44 A 19 ALA HB% A 20 CYS HA 1.0 1.8 5.07 45 45 A 16 LYS HA A 16 LYS HGx 1.0 1.8 4.16 46 46 A 16 LYS HA A 16 LYS HGy 1.0 1.8 4.16 47 47 A 16 LYS H A 19 ALA HB% 1.0 1.8 3.83 48 48 A 16 LYS H A 17 GLU H 1.0 1.8 4.93 49 49 A 16 LYS HA A 17 GLU H 1.0 1.8 2.98 50 50 A 31 ALA H A 31 ALA HB% 1.0 1.8 3.02 51 51 A 31 ALA H A 25 LYS HA 1.0 1.8 5.06 52 52 A 31 ALA H A 30 HIS H 1.0 1.8 3.54 53 53 A 31 ALA H A 30 HIS HBy 1.0 1.8 4.97 54 54 A 31 ALA H A 30 HIS HBx 1.0 1.8 4.97 55 55 A 30 HIS H A 30 HIS HD2 1.0 1.8 4.76 56 56 A 30 HIS H A 30 HIS HBy 1.0 1.8 4.08 57 57 A 30 HIS H A 30 HIS HBx 1.0 1.8 4.08 58 58 A 19 ALA HB% A 19 ALA H 1.0 1.8 3.02 59 59 A 19 ALA H A 18 LYS H 1.0 1.8 3.56 60 60 A 18 LYS H A 20 CYS H 1.0 1.8 4.66 61 61 A 17 GLU H A 18 LYS H 1.0 1.8 3.97 62 62 A 19 ALA H A 20 CYS H 1.0 1.8 3.31 63 63 A 7 LEU H A 7 LEU HDy% 1.0 1.8 4.21 64 64 A 7 LEU H A 7 LEU HBx 1.0 1.8 3.87 65 65 A 7 LEU H A 7 LEU HBy 1.0 1.8 3.87 66 66 A 7 LEU HDy% A 7 LEU HA 1.0 1.8 3.08 67 67 A 7 LEU H A 7 LEU HG 1.0 1.8 3.63 68 68 A 7 LEU H A 6 PHE H 1.0 1.8 5.04 69 69 A 7 LEU H A 6 PHE HA 1.0 1.8 3.27 70 70 A 7 LEU H A 48 TYR HA 1.0 1.8 3.86 71 71 A 7 LEU H A 8 GLY H 1.0 1.8 3.45 72 72 A 7 LEU H A 6 PHE HBx 1.0 1.8 4.81 73 73 A 7 LEU H A 6 PHE HBy 1.0 1.8 4.81 74 74 A 5 HIS HA A 6 PHE H 1.0 1.8 3.05 75 75 A 6 PHE H A 6 PHE HBx 1.0 1.8 3.80 76 76 A 5 HIS HD2 A 6 PHE H 1.0 1.8 4.79 77 77 A 6 PHE H A 6 PHE HD% 1.0 1.8 4.12 78 78 A 35 GLU H A 48 TYR HD% 1.0 1.8 4.50 79 79 A 23 VAL H A 23 VAL HGx% 1.0 1.8 4.22 80 80 A 24 CYS H A 23 VAL HGx% 1.0 1.8 4.48 81 81 A 23 VAL H A 23 VAL HGy% 1.0 1.8 4.22 82 82 A 24 CYS H A 23 VAL HGy% 1.0 1.8 4.48 83 83 A 23 VAL H A 23 VAL HB 1.0 1.8 3.09 84 84 A 21 LYS H A 22 SER H 1.0 1.8 3.53 85 85 A 21 LYS H A 21 LYS HBx 1.0 1.8 3.23 86 86 A 21 LYS H A 21 LYS HBy 1.0 1.8 3.31 87 87 A 27 HIS HA A 27 HIS HD2 1.0 1.8 4.63 88 88 A 27 HIS HD2 A 23 VAL HA 1.0 1.8 4.55 89 89 A 23 VAL HB A 27 HIS HD2 1.0 1.8 4.79 90 90 A 10 ALA HB% A 27 HIS HD2 1.0 1.8 4.35 91 91 A 27 HIS HD2 A 23 VAL HGx% 1.0 1.8 4.91 92 92 A 27 HIS HD2 A 23 VAL HGy% 1.0 1.8 4.91 93 93 A 21 LYS HA A 34 GLY HAx 1.0 1.8 5.02 94 94 A 33 LYS HA A 34 GLY H 1.0 1.8 3.00 95 95 A 21 LYS HA A 34 GLY H 1.0 1.8 4.27 96 96 A 21 LYS HBx A 34 GLY H 1.0 1.8 4.16 97 97 A 34 GLY H A 33 LYS HBx 1.0 1.8 4.63 98 98 A 21 LYS HBy A 34 GLY H 1.0 1.8 5.50 99 99 A 34 GLY H A 33 LYS HBy 1.0 1.8 4.63 100 100 A 31 ALA HB% A 33 LYS H 1.0 1.8 3.67 101 101 A 33 LYS H A 32 CYS HBy 1.0 1.8 4.65 102 102 A 33 LYS H A 32 CYS HBx 1.0 1.8 4.65 103 103 A 33 LYS H A 32 CYS H 1.0 1.8 2.99 104 104 A 32 CYS H A 49 GLY HAx 1.0 1.8 3.95 105 105 A 32 CYS H A 31 ALA HA 1.0 1.8 3.07 106 106 A 31 ALA HB% A 32 CYS H 1.0 1.8 3.62 107 107 A 35 GLU H A 35 GLU HBx 1.0 1.8 4.06 108 108 A 35 GLU H A 35 GLU HBy 1.0 1.8 4.06 109 109 A 35 GLU H A 34 GLY HAy 1.0 1.8 3.52 110 110 A 35 GLU H A 34 GLY HAx 1.0 1.8 3.21 111 111 A 35 GLU H A 34 GLY H 1.0 1.8 4.70 112 112 A 45 CYS HA A 46 HIS H 1.0 1.8 2.94 113 113 A 35 GLU H A 46 HIS H 1.0 1.8 4.10 114 114 A 46 HIS H A 47 CYS H 1.0 1.8 4.78 115 115 A 39 HIS HA A 40 GLY H 1.0 1.8 3.21 116 116 A 41 ARG H A 42 GLU H 1.0 1.8 3.11 117 117 A 43 VAL H A 42 GLU HGx 1.0 1.8 5.50 118 118 A 43 VAL H A 42 GLU HGy 1.0 1.8 5.50 119 119 A 43 VAL H A 42 GLU HA 1.0 1.8 2.86 120 120 A 43 VAL HA A 44 HIS H 1.0 1.8 2.96 121 121 A 44 HIS HA A 45 CYS H 1.0 1.8 3.19 122 122 A 48 TYR HA A 49 GLY H 1.0 1.8 3.11 123 123 A 48 TYR HA A 6 PHE HD% 1.0 1.8 5.07 124 124 A 48 TYR HA A 48 TYR HD% 1.0 1.8 3.84 125 125 A 32 CYS H A 50 ASP H 1.0 1.8 5.50 126 126 A 49 GLY H A 50 ASP H 1.0 1.8 4.59 127 127 A 50 ASP H A 7 LEU HDx% 1.0 1.8 4.46 128 128 A 7 LEU HDy% A 50 ASP H 1.0 1.8 5.03 129 129 A 10 ALA HB% A 27 HIS HE1 1.0 1.8 5.08 130 130 A 50 ASP H A 50 ASP HBx 1.0 1.8 3.82 131 131 A 50 ASP H A 50 ASP HBy 1.0 1.8 3.82 132 132 A 27 HIS HE1 A 11 PRO HGy 1.0 1.8 4.91 133 133 A 27 HIS HE1 A 11 PRO HGx 1.0 1.8 4.91 134 134 A 27 HIS HE1 A 11 PRO HDy 1.0 1.8 4.92 135 135 A 27 HIS HE1 A 11 PRO HDx 1.0 1.8 4.92 136 136 A 50 ASP H A 49 GLY HAy 1.0 1.8 3.41 137 137 A 31 ALA HA A 50 ASP H 1.0 1.8 4.81 138 138 A 50 ASP H A 49 GLY HAx 1.0 1.8 3.41 139 139 A 13 TYR H A 13 TYR HBx 1.0 1.8 3.93 140 140 A 13 TYR H A 13 TYR HBy 1.0 1.8 3.93 141 141 A 51 TYR H A 51 TYR HD% 1.0 1.8 4.51 142 142 A 51 TYR HD% A 52 HIS H 1.0 1.8 4.73 143 143 A 51 TYR HD% A 51 TYR HA 1.0 1.8 3.85 144 144 A 52 HIS H A 51 TYR HBx 1.0 1.8 4.41 145 145 A 52 HIS H A 51 TYR HBy 1.0 1.8 4.41 146 146 A 52 HIS H A 51 TYR HA 1.0 1.8 3.36 147 147 A 28 TYR H A 29 HIS H 1.0 1.8 4.39 148 148 A 30 HIS H A 29 HIS H 1.0 1.8 4.16 149 149 A 29 HIS H A 28 TYR HA 1.0 1.8 2.92 150 150 A 29 HIS H A 28 TYR HBx 1.0 1.8 4.43 151 151 A 29 HIS H A 28 TYR HBy 1.0 1.8 4.43 152 152 A 28 TYR H A 28 TYR HD% 1.0 1.8 3.76 153 153 A 29 HIS H A 28 TYR HD% 1.0 1.8 5.50 154 154 A 29 HIS H A 29 HIS HD2 1.0 1.8 5.50 155 155 A 28 TYR H A 27 HIS H 1.0 1.8 3.29 156 156 A 27 HIS HD2 A 27 HIS H 1.0 1.8 4.23 157 157 A 28 TYR HD% A 27 HIS H 1.0 1.8 4.79 158 158 A 27 HIS H A 26 GLU H 1.0 1.8 3.42 159 159 A 26 GLU H A 25 LYS H 1.0 1.8 3.58 160 160 A 24 CYS H A 25 LYS H 1.0 1.8 3.53 161 161 A 47 CYS HA A 48 TYR H 1.0 1.8 3.09 162 162 A 48 TYR HD% A 48 TYR H 1.0 1.8 3.71 163 163 A 48 TYR HD% A 49 GLY H 1.0 1.8 4.45 164 164 A 1 ALA HB% A 2 HIS H 1.0 1.8 4.06 165 165 A 3 CYS HA A 5 HIS H 1.0 1.8 4.46 166 166 A 5 HIS H A 48 TYR HD% 1.0 1.8 4.63 167 167 A 5 HIS H A 49 GLY H 1.0 1.8 4.39 168 168 A 6 PHE H A 6 PHE HBy 1.0 1.8 3.80 169 169 A 6 PHE HA A 6 PHE HD% 1.0 1.8 4.12 170 170 A 47 CYS HBx A 7 LEU HBx 1.0 1.8 4.44 171 171 A 47 CYS HBx A 7 LEU HBy 1.0 1.8 4.44 172 172 A 15 CYS HBy A 43 VAL HGy% 1.0 1.8 4.23 173 173 A 43 VAL HGy% A 15 CYS HBx 1.0 1.8 4.23 174 174 A 43 VAL HA A 43 VAL HGy% 1.0 1.8 3.74 175 175 A 7 LEU H A 49 GLY H 1.0 1.8 4.84 176 176 A 9 GLU H A 8 GLY H 1.0 1.8 4.79 177 177 A 28 TYR HE% A 8 GLY HAy 1.0 1.8 4.40 178 178 A 28 TYR HE% A 8 GLY HAx 1.0 1.8 4.40 179 179 A 12 VAL HA A 13 TYR HBx 1.0 1.8 5.50 180 180 A 12 VAL HA A 13 TYR HBy 1.0 1.8 5.50 181 181 A 20 CYS H A 20 CYS HBy 1.0 1.8 3.66 182 182 A 20 CYS H A 20 CYS HBx 1.0 1.8 3.66 183 183 A 10 ALA HB% A 9 GLU HA 1.0 1.8 4.69 184 184 A 10 ALA H A 9 GLU HGx 1.0 1.8 5.50 185 185 A 10 ALA H A 9 GLU HGy 1.0 1.8 5.50 186 186 A 9 GLU H A 10 ALA H 1.0 1.8 5.06 187 187 A 10 ALA HB% A 11 PRO HDx 1.0 1.8 3.60 188 188 A 10 ALA HB% A 11 PRO HDy 1.0 1.8 3.60 189 189 A 51 TYR H A 52 HIS H 1.0 1.8 4.35 190 190 A 17 GLU HA A 17 GLU HGx 1.0 1.8 4.11 191 191 A 17 GLU HA A 17 GLU HGy 1.0 1.8 4.11 192 192 A 17 GLU H A 17 GLU HBx 1.0 1.8 3.64 193 193 A 17 GLU H A 17 GLU HBy 1.0 1.8 3.64 194 194 A 17 GLU H A 16 LYS HBx 1.0 1.8 4.22 195 195 A 17 GLU H A 16 LYS HBy 1.0 1.8 4.22 196 196 A 17 GLU H A 17 GLU HGx 1.0 1.8 4.55 197 197 A 17 GLU H A 17 GLU HGy 1.0 1.8 4.55 198 198 A 15 CYS HA A 19 ALA HB% 1.0 1.8 3.97 199 199 A 21 LYS HBx A 18 LYS HA 1.0 1.8 4.17 200 200 A 21 LYS HBy A 18 LYS HA 1.0 1.8 3.91 201 201 A 18 LYS HA A 18 LYS HDx 1.0 1.8 5.39 202 202 A 18 LYS HA A 18 LYS HDy 1.0 1.8 5.39 203 203 A 18 LYS H A 17 GLU HBx 1.0 1.8 4.19 204 204 A 18 LYS H A 17 GLU HBy 1.0 1.8 4.19 205 205 A 18 LYS H A 16 LYS HBx 1.0 1.8 5.09 206 206 A 18 LYS H A 16 LYS HBy 1.0 1.8 5.09 207 207 A 18 LYS H A 18 LYS HBx 1.0 1.8 3.69 208 208 A 18 LYS H A 18 LYS HBy 1.0 1.8 3.69 209 209 A 18 LYS H A 18 LYS HDx 1.0 1.8 5.50 210 210 A 18 LYS H A 18 LYS HDy 1.0 1.8 5.50 211 211 A 19 ALA HB% A 18 LYS H 1.0 1.8 4.42 212 212 A 18 LYS H A 17 GLU HGx 1.0 1.8 4.82 213 213 A 18 LYS H A 17 GLU HGy 1.0 1.8 4.82 214 214 A 38 TYR HD% A 43 VAL HGx% 1.0 1.8 4.77 215 215 A 38 TYR HD% A 43 VAL HGy% 1.0 1.8 4.77 216 216 A 19 ALA H A 18 LYS HBx 1.0 1.8 4.14 217 217 A 19 ALA H A 18 LYS HBy 1.0 1.8 4.14 218 218 A 16 LYS HA A 19 ALA H 1.0 1.8 5.01 219 219 A 19 ALA HB% A 20 CYS H 1.0 1.8 3.38 220 220 A 20 CYS H A 17 GLU HA 1.0 1.8 4.37 221 221 A 21 LYS HBx A 21 LYS HEx 1.0 1.8 5.19 222 222 A 21 LYS HBx A 21 LYS HEy 1.0 1.8 5.19 223 223 A 21 LYS H A 34 GLY HAy 1.0 1.8 4.70 224 224 A 19 ALA HB% A 22 SER H 1.0 1.8 4.61 225 225 A 22 SER H A 21 LYS HBy 1.0 1.8 3.45 226 226 A 22 SER H A 19 ALA HA 1.0 1.8 3.92 227 227 A 19 ALA HB% A 12 VAL HGx% 1.0 1.8 4.18 228 228 A 19 ALA HB% A 12 VAL HGy% 1.0 1.8 4.18 229 229 A 12 VAL HGx% A 45 CYS HBx 1.0 1.8 5.50 230 230 A 12 VAL HGy% A 45 CYS HBx 1.0 1.8 5.50 231 231 A 23 VAL HA A 23 VAL HGx% 1.0 1.8 3.34 232 232 A 23 VAL HA A 23 VAL HGy% 1.0 1.8 3.34 233 233 A 24 CYS H A 24 CYS HBy 1.0 1.8 3.62 234 234 A 23 VAL H A 19 ALA HA 1.0 1.8 4.53 235 235 A 26 GLU H A 23 VAL HGx% 1.0 1.8 5.15 236 236 A 26 GLU H A 23 VAL HGy% 1.0 1.8 5.15 237 237 A 23 VAL HA A 26 GLU H 1.0 1.8 3.72 238 238 A 23 VAL HA A 25 LYS H 1.0 1.8 4.95 239 239 A 38 TYR HA A 39 HIS H 1.0 1.8 3.39 240 240 A 38 TYR HD% A 39 HIS H 1.0 1.8 4.46 241 241 A 24 CYS H A 26 GLU H 1.0 1.8 4.65 242 242 A 25 LYS H A 24 CYS HBx 1.0 1.8 4.01 243 243 A 25 LYS H A 24 CYS HBy 1.0 1.8 4.01 244 244 A 31 ALA HB% A 25 LYS HA 1.0 1.8 3.55 245 245 A 25 LYS H A 25 LYS HGx 1.0 1.8 4.40 246 246 A 25 LYS H A 25 LYS HGy 1.0 1.8 4.40 247 247 A 31 ALA HB% A 25 LYS H 1.0 1.8 4.86 248 248 A 25 LYS H A 25 LYS HBx 1.0 1.8 3.76 249 249 A 26 GLU H A 25 LYS HBx 1.0 1.8 4.09 250 250 A 25 LYS H A 25 LYS HBy 1.0 1.8 3.76 251 251 A 26 GLU H A 25 LYS HBy 1.0 1.8 4.09 252 252 A 21 LYS HA A 25 LYS H 1.0 1.8 5.02 253 253 A 25 LYS H A 22 SER HA 1.0 1.8 4.15 254 254 A 28 TYR H A 26 GLU H 1.0 1.8 4.57 255 255 A 27 HIS HD2 A 26 GLU H 1.0 1.8 5.16 256 256 A 27 HIS H A 27 HIS HBx 1.0 1.8 3.79 257 257 A 27 HIS H A 27 HIS HBy 1.0 1.8 3.79 258 258 A 23 VAL HA A 27 HIS H 1.0 1.8 4.88 259 259 A 27 HIS H A 24 CYS HA 1.0 1.8 4.59 260 260 A 25 LYS HA A 27 HIS H 1.0 1.8 4.98 261 261 A 21 LYS HA A 33 LYS HA 1.0 1.8 4.65 262 262 A 31 ALA HB% A 28 TYR H 1.0 1.8 4.34 263 263 A 25 LYS HA A 28 TYR H 1.0 1.8 4.22 264 264 A 31 ALA HB% A 30 HIS H 1.0 1.8 4.55 265 265 A 31 ALA H A 28 TYR HBx 1.0 1.8 4.44 266 266 A 31 ALA H A 28 TYR HBy 1.0 1.8 4.44 267 267 A 32 CYS H A 7 LEU HDx% 1.0 1.8 4.30 268 268 A 32 CYS H A 49 GLY HAy 1.0 1.8 3.95 269 269 A 33 LYS H A 49 GLY HAy 1.0 1.8 5.15 270 270 A 33 LYS H A 31 ALA HA 1.0 1.8 4.30 271 271 A 33 LYS H A 49 GLY HAx 1.0 1.8 5.15 272 272 A 33 LYS H A 48 TYR H 1.0 1.8 3.98 273 273 A 41 ARG H A 41 ARG HBy 1.0 1.8 3.86 274 274 A 41 ARG H A 41 ARG HGx 1.0 1.8 5.43 275 275 A 41 ARG H A 41 ARG HGy 1.0 1.8 5.43 276 276 A 41 ARG H A 41 ARG HBx 1.0 1.8 3.86 277 277 A 30 HIS HD2 A 29 HIS HBx 1.0 1.8 5.50 278 278 A 30 HIS HD2 A 29 HIS HBy 1.0 1.8 5.50 279 279 A 40 GLY H A 39 HIS H 1.0 1.8 4.16 280 280 A 37 GLU H A 43 VAL HGy% 1.0 1.8 4.89 281 281 A 24 CYS H A 24 CYS HBx 1.0 1.8 3.62 282 282 A 42 GLU H A 41 ARG HGx 1.0 1.8 5.50 283 283 A 42 GLU H A 41 ARG HGy 1.0 1.8 5.50 284 284 A 42 GLU H A 42 GLU HGx 1.0 1.8 4.82 285 285 A 42 GLU H A 42 GLU HGy 1.0 1.8 4.82 286 286 A 42 GLU H A 43 VAL H 1.0 1.8 4.98 287 287 A 15 CYS HBx A 43 VAL HGx% 1.0 1.8 4.23 288 288 A 15 CYS HBy A 43 VAL HGx% 1.0 1.8 4.23 289 289 A 43 VAL HA A 43 VAL HGx% 1.0 1.8 3.74 290 290 A 44 HIS H A 43 VAL HGx% 1.0 1.8 4.05 291 291 A 43 VAL H A 43 VAL HGx% 1.0 1.8 3.95 292 292 A 44 HIS H A 43 VAL HGy% 1.0 1.8 4.05 293 293 A 43 VAL H A 43 VAL HGy% 1.0 1.8 3.95 294 294 A 44 HIS H A 43 VAL HB 1.0 1.8 4.54 295 295 A 43 VAL H A 43 VAL HB 1.0 1.8 3.72 296 296 A 44 HIS H A 44 HIS HD2 1.0 1.8 4.77 297 297 A 45 CYS H A 44 HIS HBy 1.0 1.8 4.23 298 298 A 45 CYS H A 44 HIS HBx 1.0 1.8 4.23 299 299 A 45 CYS H A 45 CYS HBy 1.0 1.8 4.00 300 300 A 45 CYS H A 45 CYS HBx 1.0 1.8 4.00 301 301 A 12 VAL H A 45 CYS H 1.0 1.8 5.50 302 302 A 45 CYS H A 44 HIS HD2 1.0 1.8 5.50 303 303 A 46 HIS H A 45 CYS HBy 1.0 1.8 4.71 304 304 A 46 HIS H A 46 HIS HBy 1.0 1.8 4.06 305 305 A 46 HIS H A 46 HIS HBx 1.0 1.8 4.06 306 306 A 46 HIS H A 45 CYS HBx 1.0 1.8 4.71 307 307 A 46 HIS H A 46 HIS HD2 1.0 1.8 4.65 308 308 A 6 PHE HD% A 46 HIS H 1.0 1.8 5.50 309 309 A 46 HIS H A 37 GLU H 1.0 1.8 5.29 310 310 A 7 LEU HG A 49 GLY H 1.0 1.8 3.71 311 311 A 7 LEU HDy% A 49 GLY H 1.0 1.8 4.16 312 312 A 49 GLY H A 7 LEU HDx% 1.0 1.8 4.08 313 313 A 51 TYR H A 50 ASP H 1.0 1.8 4.99 314 314 A 31 ALA HB% A 47 CYS HA 1.0 1.8 4.80 315 315 A 47 CYS H A 47 CYS HBx 1.0 1.8 3.57 316 316 A 47 CYS H A 47 CYS HBy 1.0 1.8 4.04 317 317 A 47 CYS H A 46 HIS HBy 1.0 1.8 4.87 318 318 A 47 CYS H A 46 HIS HBx 1.0 1.8 4.87 319 319 A 9 GLU HA A 47 CYS H 1.0 1.8 3.97 320 320 A 46 HIS HA A 47 CYS H 1.0 1.8 3.07 321 321 A 47 CYS H A 46 HIS HD2 1.0 1.8 4.55 322 322 A 7 LEU HG A 48 TYR HA 1.0 1.8 4.10 323 323 A 7 LEU HDx% A 48 TYR H 1.0 1.8 4.74 324 324 A 31 ALA HB% A 48 TYR H 1.0 1.8 4.12 325 325 A 48 TYR H A 47 CYS HBx 1.0 1.8 4.51 326 326 A 48 TYR H A 48 TYR HBx 1.0 1.8 4.07 327 327 A 48 TYR H A 48 TYR HBy 1.0 1.8 4.07 328 328 A 48 TYR H A 47 CYS HBy 1.0 1.8 4.08 329 329 A 34 GLY HAy A 48 TYR H 1.0 1.8 4.88 330 330 A 32 CYS H A 48 TYR H 1.0 1.8 5.00 331 331 A 49 GLY H A 48 TYR H 1.0 1.8 5.01 332 332 A 31 ALA HA A 49 GLY H 1.0 1.8 4.92 333 333 A 36 CYS H A 36 CYS HBy 1.0 1.8 3.90 334 334 A 36 CYS H A 35 GLU HBx 1.0 1.8 4.32 335 335 A 36 CYS H A 35 GLU HBy 1.0 1.8 4.32 336 336 A 36 CYS H A 36 CYS HBx 1.0 1.8 3.90 337 337 A 36 CYS H A 35 GLU HA 1.0 1.8 2.92 338 338 A 10 ALA HA A 11 PRO HGx 1.0 1.8 4.66 339 339 A 10 ALA HA A 11 PRO HGy 1.0 1.8 4.66 340 340 A 37 GLU H A 43 VAL HGx% 1.0 1.8 4.89 341 341 A 37 GLU H A 36 CYS HA 1.0 1.8 3.06 342 342 A 44 HIS H A 37 GLU H 1.0 1.8 3.93 343 343 A 37 GLU H A 36 CYS H 1.0 1.8 4.93 344 344 A 38 TYR H A 38 TYR HBx 1.0 1.8 3.82 345 345 A 38 TYR H A 38 TYR HBy 1.0 1.8 3.82 346 346 A 38 TYR H A 37 GLU HA 1.0 1.8 3.41 347 347 A 38 TYR HD% A 38 TYR H 1.0 1.8 3.77 348 348 A 39 HIS H A 38 TYR H 1.0 1.8 4.60 349 349 A 13 TYR HD% A 15 CYS H 1.0 1.8 4.98 350 350 A 16 LYS H A 20 CYS H 1.0 1.8 4.07 351 351 A 19 ALA H A 22 SER H 1.0 1.8 5.00 352 352 A 27 HIS HD2 A 28 TYR HE% 1.0 1.8 5.50 353 353 A 48 TYR HD% A 34 GLY HAx 1.0 1.8 4.53 354 354 A 48 TYR HD% A 47 CYS HA 1.0 1.8 4.14 355 355 A 34 GLY HAx A 48 TYR H 1.0 1.8 4.45 356 356 A 44 HIS HA A 44 HIS HD2 1.0 1.8 4.37 357 357 A 9 GLU HA A 46 HIS HD2 1.0 1.8 4.25 358 358 A 10 ALA HA A 28 TYR HE% 1.0 1.8 5.22 359 359 A 28 TYR HA A 28 TYR HE% 1.0 1.8 4.94 360 360 A 28 TYR HE% A 24 CYS HA 1.0 1.8 4.40 361 361 A 48 TYR HD% A 4 ASP HA 1.0 1.8 4.03 362 362 A 48 TYR HD% A 33 LYS HA 1.0 1.8 4.78 363 363 A 28 TYR HD% A 24 CYS HA 1.0 1.8 3.52 364 364 A 14 PRO HA A 13 TYR HD% 1.0 1.8 3.88 365 365 A 28 TYR HD% A 47 CYS HBx 1.0 1.8 4.28 366 366 A 13 TYR HE% A 14 PRO HBy 1.0 1.8 4.12 367 367 A 47 CYS HBx A 28 TYR HE% 1.0 1.8 4.47 368 368 A 43 VAL HB A 38 TYR HE% 1.0 1.8 4.62 369 369 A 48 TYR HD% A 33 LYS HGx 1.0 1.8 4.91 370 370 A 48 TYR HD% A 33 LYS HGy 1.0 1.8 4.91 371 371 A 31 ALA H A 7 LEU HDx% 1.0 1.8 4.29 372 372 A 7 LEU HDy% A 51 TYR HD% 1.0 1.8 4.80 373 373 A 7 LEU HDy% A 51 TYR HE% 1.0 1.8 4.83 374 374 A 31 ALA HB% A 28 TYR HE% 1.0 1.8 5.29 375 375 A 10 ALA HB% A 28 TYR HE% 1.0 1.8 3.56 376 376 A 34 GLY HAy A 47 CYS HA 1.0 1.8 4.47 377 377 A 31 ALA HA A 49 GLY HAx 1.0 1.8 4.56 378 378 A 50 ASP HA A 51 TYR HA 1.0 1.8 4.46 379 379 A 46 HIS HA A 9 GLU HA 1.0 1.8 4.15 380 380 A 31 ALA HA A 49 GLY HAy 1.0 1.8 4.56 381 381 A 19 ALA HA A 22 SER HBx 1.0 1.8 3.98 382 382 A 19 ALA HA A 22 SER HBy 1.0 1.8 3.98 383 383 A 10 ALA HB% A 24 CYS HA 1.0 1.8 4.36 384 384 A 20 CYS HA A 12 VAL HGx% 1.0 1.8 3.52 385 385 A 20 CYS HA A 12 VAL HGy% 1.0 1.8 3.52 386 386 A 45 CYS HBy A 12 VAL HGx% 1.0 1.8 5.50 387 387 A 45 CYS HBy A 12 VAL HGy% 1.0 1.8 5.50 388 388 A 10 ALA HB% A 27 HIS HBx 1.0 1.8 4.42 389 389 A 31 ALA HB% A 47 CYS HBy 1.0 1.8 3.88 390 390 A 10 ALA HB% A 27 HIS HBy 1.0 1.8 4.42 391 391 A 9 GLU H A 46 HIS HA 1.0 1.8 5.50 392 392 A 3 CYS H A 2 HIS HBx 1.0 1.8 4.21 393 392 A 3 CYS H A 2 HIS HBy 1.0 1.8 4.21 394 393 A 3 CYS H A 3 CYS HBx 1.0 1.8 3.40 395 393 A 3 CYS H A 3 CYS HBy 1.0 1.8 3.40 396 394 A 5 HIS H A 3 CYS HBx 1.0 1.8 5.33 397 394 A 5 HIS H A 3 CYS HBy 1.0 1.8 5.33 398 395 A 4 ASP H A 4 ASP HBy 1.0 1.8 3.48 399 395 A 4 ASP H A 4 ASP HBx 1.0 1.8 3.48 400 396 A 4 ASP HA A 48 TYR HBy 1.0 1.8 4.33 401 396 A 4 ASP HA A 48 TYR HBx 1.0 1.8 4.33 402 397 A 5 HIS H A 48 TYR HBy 1.0 1.8 5.34 403 397 A 5 HIS H A 48 TYR HBx 1.0 1.8 5.34 404 398 A 49 GLY H A 5 HIS HBy 1.0 1.8 4.22 405 398 A 49 GLY H A 5 HIS HBx 1.0 1.8 4.22 406 399 A 6 PHE H A 6 PHE HBy 1.0 1.8 3.14 407 399 A 6 PHE H A 6 PHE HBx 1.0 1.8 3.14 408 400 A 7 LEU H A 6 PHE HBy 1.0 1.8 4.20 409 400 A 7 LEU H A 6 PHE HBx 1.0 1.8 4.20 410 401 A 6 PHE HD% A 46 HIS HBy 1.0 1.8 3.57 411 401 A 6 PHE HD% A 46 HIS HBx 1.0 1.8 3.57 412 402 A 6 PHE HE% A 46 HIS HBy 1.0 1.8 4.06 413 402 A 46 HIS HBx A 6 PHE HE% 1.0 1.8 4.06 414 403 A 28 TYR HE% A 7 LEU HBx 1.0 1.8 4.90 415 403 A 28 TYR HE% A 7 LEU HBy 1.0 1.8 4.90 416 404 A 47 CYS HBx A 7 LEU HBx 1.0 1.8 3.83 417 404 A 47 CYS HBx A 7 LEU HBy 1.0 1.8 3.83 418 405 A 47 CYS HBy A 7 LEU HBx 1.0 1.8 3.96 419 405 A 47 CYS HBy A 7 LEU HBy 1.0 1.8 3.96 420 406 A 7 LEU HDy% A 49 GLY HAy 1.0 1.8 3.97 421 406 A 7 LEU HDy% A 49 GLY HAx 1.0 1.8 3.97 422 407 A 28 TYR HE% A 8 GLY HAy 1.0 1.8 3.86 423 407 A 28 TYR HE% A 8 GLY HAx 1.0 1.8 3.86 424 408 A 9 GLU H A 9 GLU HGy 1.0 1.8 4.16 425 408 A 9 GLU H A 9 GLU HGx 1.0 1.8 4.16 426 409 A 10 ALA H A 9 GLU HBx 1.0 1.8 4.08 427 409 A 10 ALA H A 9 GLU HBy 1.0 1.8 4.08 428 410 A 46 HIS HD2 A 9 GLU HGy 1.0 1.8 4.33 429 410 A 46 HIS HD2 A 9 GLU HGx 1.0 1.8 4.33 430 411 A 10 ALA H A 45 CYS HBx 1.0 1.8 4.02 431 411 A 10 ALA H A 45 CYS HBy 1.0 1.8 4.02 432 412 A 10 ALA HB% A 11 PRO HGx 1.0 1.8 4.09 433 412 A 10 ALA HB% A 11 PRO HGy 1.0 1.8 4.09 434 413 A 10 ALA HB% A 11 PRO HDx 1.0 1.8 3.13 435 413 A 10 ALA HB% A 11 PRO HDy 1.0 1.8 3.13 436 414 A 10 ALA HB% A 23 VAL HGx% 1.0 1.8 3.08 437 414 A 10 ALA HB% A 23 VAL HGy% 1.0 1.8 3.08 438 415 A 11 PRO HA A 12 VAL HGx% 1.0 1.8 4.88 439 415 A 11 PRO HA A 12 VAL HGy% 1.0 1.8 4.88 440 416 A 12 VAL H A 11 PRO HBx 1.0 1.8 3.78 441 416 A 12 VAL H A 11 PRO HBy 1.0 1.8 3.78 442 417 A 27 HIS HE1 A 11 PRO HGx 1.0 1.8 4.20 443 417 A 27 HIS HE1 A 11 PRO HGy 1.0 1.8 4.20 444 418 A 27 HIS HE1 A 11 PRO HDx 1.0 1.8 4.14 445 418 A 27 HIS HE1 A 11 PRO HDy 1.0 1.8 4.14 446 419 A 12 VAL H A 12 VAL HGx% 1.0 1.8 3.99 447 419 A 12 VAL H A 12 VAL HGy% 1.0 1.8 3.99 448 420 A 12 VAL H A 23 VAL HGx% 1.0 1.8 5.44 449 420 A 12 VAL H A 23 VAL HGy% 1.0 1.8 5.44 450 421 A 12 VAL H A 45 CYS HBx 1.0 1.8 4.88 451 421 A 12 VAL H A 45 CYS HBy 1.0 1.8 4.88 452 422 A 12 VAL HA A 12 VAL HGx% 1.0 1.8 3.11 453 422 A 12 VAL HA A 12 VAL HGy% 1.0 1.8 3.11 454 423 A 12 VAL HA A 13 TYR HBy 1.0 1.8 4.78 455 423 A 12 VAL HA A 13 TYR HBx 1.0 1.8 4.78 456 424 A 13 TYR H A 12 VAL HGx% 1.0 1.8 3.96 457 424 A 13 TYR H A 12 VAL HGy% 1.0 1.8 3.96 458 425 A 15 CYS H A 12 VAL HGx% 1.0 1.8 4.83 459 425 A 15 CYS H A 12 VAL HGy% 1.0 1.8 4.83 460 426 A 12 VAL HGy% A 15 CYS HBx 1.0 1.8 4.54 461 426 A 12 VAL HGx% A 15 CYS HBx 1.0 1.8 4.54 462 426 A 15 CYS HBy A 12 VAL HGx% 1.0 1.8 4.54 463 426 A 12 VAL HGy% A 15 CYS HBy 1.0 1.8 4.54 464 427 A 16 LYS H A 12 VAL HGx% 1.0 1.8 4.37 465 427 A 16 LYS H A 12 VAL HGy% 1.0 1.8 4.37 466 428 A 19 ALA HB% A 12 VAL HGx% 1.0 1.8 3.47 467 428 A 19 ALA HB% A 12 VAL HGy% 1.0 1.8 3.47 468 429 A 20 CYS H A 12 VAL HGx% 1.0 1.8 4.51 469 429 A 20 CYS H A 12 VAL HGy% 1.0 1.8 4.51 470 430 A 12 VAL HGx% A 20 CYS HBx 1.0 1.8 4.56 471 430 A 12 VAL HGy% A 20 CYS HBx 1.0 1.8 4.56 472 430 A 20 CYS HBy A 12 VAL HGx% 1.0 1.8 4.56 473 430 A 12 VAL HGy% A 20 CYS HBy 1.0 1.8 4.56 474 431 A 12 VAL HGx% A 23 VAL HGx% 1.0 1.8 3.23 475 431 A 12 VAL HGy% A 23 VAL HGx% 1.0 1.8 3.23 476 431 A 23 VAL HGy% A 12 VAL HGx% 1.0 1.8 3.23 477 431 A 23 VAL HGy% A 12 VAL HGy% 1.0 1.8 3.23 478 432 A 45 CYS H A 12 VAL HGx% 1.0 1.8 4.81 479 432 A 45 CYS H A 12 VAL HGy% 1.0 1.8 4.81 480 433 A 12 VAL HGx% A 45 CYS HBx 1.0 1.8 3.21 481 433 A 12 VAL HGy% A 45 CYS HBx 1.0 1.8 3.21 482 433 A 45 CYS HBy A 12 VAL HGx% 1.0 1.8 3.21 483 433 A 45 CYS HBy A 12 VAL HGy% 1.0 1.8 3.21 484 434 A 13 TYR H A 13 TYR HBy 1.0 1.8 3.34 485 434 A 13 TYR H A 13 TYR HBx 1.0 1.8 3.34 486 435 A 15 CYS H A 15 CYS HBx 1.0 1.8 3.03 487 435 A 15 CYS H A 15 CYS HBy 1.0 1.8 3.03 488 436 A 15 CYS H A 43 VAL HGx% 1.0 1.8 4.91 489 436 A 15 CYS H A 43 VAL HGy% 1.0 1.8 4.91 490 437 A 15 CYS HBy A 43 VAL HGx% 1.0 1.8 3.11 491 437 A 15 CYS HBx A 43 VAL HGx% 1.0 1.8 3.11 492 437 A 43 VAL HGy% A 15 CYS HBx 1.0 1.8 3.11 493 437 A 15 CYS HBy A 43 VAL HGy% 1.0 1.8 3.11 494 438 A 16 LYS H A 16 LYS HGy 1.0 1.8 4.60 495 438 A 16 LYS H A 16 LYS HGx 1.0 1.8 4.60 496 439 A 16 LYS H A 16 LYS HDy 1.0 1.8 4.04 497 439 A 16 LYS H A 16 LYS HDx 1.0 1.8 4.04 498 440 A 16 LYS HA A 16 LYS HGy 1.0 1.8 3.60 499 440 A 16 LYS HA A 16 LYS HGx 1.0 1.8 3.60 500 441 A 16 LYS HA A 16 LYS HDy 1.0 1.8 3.60 501 441 A 16 LYS HA A 16 LYS HDx 1.0 1.8 3.60 502 442 A 16 LYS HBy A 16 LYS HDy 1.0 1.8 2.74 503 442 A 16 LYS HBx A 16 LYS HDy 1.0 1.8 2.74 504 442 A 16 LYS HDx A 16 LYS HBy 1.0 1.8 2.74 505 442 A 16 LYS HDx A 16 LYS HBx 1.0 1.8 2.74 506 443 A 17 GLU H A 16 LYS HBy 1.0 1.8 3.60 507 443 A 17 GLU H A 16 LYS HBx 1.0 1.8 3.60 508 444 A 18 LYS H A 16 LYS HBy 1.0 1.8 4.22 509 444 A 18 LYS H A 16 LYS HBx 1.0 1.8 4.22 510 445 A 19 ALA H A 16 LYS HBy 1.0 1.8 4.15 511 445 A 19 ALA H A 16 LYS HBx 1.0 1.8 4.15 512 446 A 20 CYS H A 16 LYS HBy 1.0 1.8 4.62 513 446 A 20 CYS H A 16 LYS HBx 1.0 1.8 4.62 514 447 A 17 GLU H A 16 LYS HGy 1.0 1.8 4.20 515 447 A 17 GLU H A 16 LYS HGx 1.0 1.8 4.20 516 448 A 17 GLU H A 16 LYS HDy 1.0 1.8 4.61 517 448 A 17 GLU H A 16 LYS HDx 1.0 1.8 4.61 518 449 A 17 GLU H A 17 GLU HBy 1.0 1.8 3.02 519 449 A 17 GLU H A 17 GLU HBx 1.0 1.8 3.02 520 450 A 17 GLU H A 17 GLU HGy 1.0 1.8 3.81 521 450 A 17 GLU H A 17 GLU HGx 1.0 1.8 3.81 522 451 A 17 GLU HA A 17 GLU HGy 1.0 1.8 3.60 523 451 A 17 GLU HA A 17 GLU HGx 1.0 1.8 3.60 524 452 A 17 GLU HA A 20 CYS HBx 1.0 1.8 3.79 525 452 A 17 GLU HA A 20 CYS HBy 1.0 1.8 3.79 526 453 A 18 LYS H A 17 GLU HBy 1.0 1.8 3.54 527 453 A 18 LYS H A 17 GLU HBx 1.0 1.8 3.54 528 454 A 18 LYS H A 18 LYS HBy 1.0 1.8 3.07 529 454 A 18 LYS H A 18 LYS HBx 1.0 1.8 3.07 530 455 A 18 LYS H A 18 LYS HGx 1.0 1.8 4.34 531 455 A 18 LYS H A 18 LYS HGy 1.0 1.8 4.34 532 456 A 18 LYS HA A 18 LYS HDy 1.0 1.8 4.61 533 456 A 18 LYS HA A 18 LYS HDx 1.0 1.8 4.61 534 457 A 19 ALA H A 18 LYS HBy 1.0 1.8 3.47 535 457 A 19 ALA H A 18 LYS HBx 1.0 1.8 3.47 536 458 A 19 ALA HA A 23 VAL HGx% 1.0 1.8 4.67 537 458 A 19 ALA HA A 23 VAL HGy% 1.0 1.8 4.67 538 459 A 19 ALA HB% A 20 CYS HBx 1.0 1.8 4.79 539 459 A 19 ALA HB% A 20 CYS HBy 1.0 1.8 4.79 540 460 A 19 ALA HB% A 23 VAL HGx% 1.0 1.8 4.39 541 460 A 19 ALA HB% A 23 VAL HGy% 1.0 1.8 4.39 542 461 A 20 CYS H A 20 CYS HBx 1.0 1.8 3.03 543 461 A 20 CYS H A 20 CYS HBy 1.0 1.8 3.03 544 462 A 20 CYS H A 23 VAL HGx% 1.0 1.8 4.85 545 462 A 20 CYS H A 23 VAL HGy% 1.0 1.8 4.85 546 463 A 20 CYS HA A 23 VAL HGx% 1.0 1.8 3.63 547 463 A 20 CYS HA A 23 VAL HGy% 1.0 1.8 3.63 548 464 A 21 LYS H A 21 LYS HGx 1.0 1.8 4.50 549 464 A 21 LYS H A 21 LYS HGy 1.0 1.8 4.50 550 465 A 21 LYS HA A 24 CYS HBx 1.0 1.8 4.45 551 465 A 21 LYS HA A 24 CYS HBy 1.0 1.8 4.45 552 466 A 21 LYS HBx A 21 LYS HEy 1.0 1.8 4.43 553 466 A 21 LYS HBx A 21 LYS HEx 1.0 1.8 4.43 554 467 A 22 SER H A 22 SER HBx 1.0 1.8 3.07 555 467 A 22 SER H A 22 SER HBy 1.0 1.8 3.07 556 468 A 22 SER H A 23 VAL HGx% 1.0 1.8 4.72 557 468 A 22 SER H A 23 VAL HGy% 1.0 1.8 4.72 558 469 A 22 SER HA A 25 LYS HBy 1.0 1.8 4.31 559 469 A 22 SER HA A 25 LYS HBx 1.0 1.8 4.31 560 470 A 23 VAL H A 23 VAL HGx% 1.0 1.8 3.03 561 470 A 23 VAL H A 23 VAL HGy% 1.0 1.8 3.03 562 471 A 24 CYS H A 23 VAL HGx% 1.0 1.8 3.37 563 471 A 24 CYS H A 23 VAL HGy% 1.0 1.8 3.37 564 472 A 24 CYS HA A 23 VAL HGx% 1.0 1.8 4.78 565 472 A 24 CYS HA A 23 VAL HGy% 1.0 1.8 4.78 566 473 A 25 LYS H A 23 VAL HGx% 1.0 1.8 5.23 567 473 A 25 LYS H A 23 VAL HGy% 1.0 1.8 5.23 568 474 A 26 GLU H A 23 VAL HGx% 1.0 1.8 4.45 569 474 A 26 GLU H A 23 VAL HGy% 1.0 1.8 4.45 570 475 A 23 VAL HGy% A 26 GLU HBx 1.0 1.8 4.16 571 475 A 23 VAL HGx% A 26 GLU HBx 1.0 1.8 4.16 572 475 A 26 GLU HBy A 23 VAL HGx% 1.0 1.8 4.16 573 475 A 23 VAL HGy% A 26 GLU HBy 1.0 1.8 4.16 574 476 A 27 HIS H A 23 VAL HGx% 1.0 1.8 4.61 575 476 A 27 HIS H A 23 VAL HGy% 1.0 1.8 4.61 576 477 A 27 HIS HD2 A 23 VAL HGx% 1.0 1.8 3.39 577 477 A 27 HIS HD2 A 23 VAL HGy% 1.0 1.8 3.39 578 478 A 24 CYS H A 24 CYS HBx 1.0 1.8 3.00 579 478 A 24 CYS H A 24 CYS HBy 1.0 1.8 3.00 580 479 A 25 LYS H A 24 CYS HBx 1.0 1.8 3.42 581 479 A 25 LYS H A 24 CYS HBy 1.0 1.8 3.42 582 480 A 31 ALA HB% A 24 CYS HBx 1.0 1.8 4.29 583 480 A 31 ALA HB% A 24 CYS HBy 1.0 1.8 4.29 584 481 A 25 LYS H A 25 LYS HBy 1.0 1.8 3.09 585 481 A 25 LYS H A 25 LYS HBx 1.0 1.8 3.09 586 482 A 25 LYS H A 25 LYS HGy 1.0 1.8 3.57 587 482 A 25 LYS H A 25 LYS HGx 1.0 1.8 3.57 588 483 A 25 LYS HBy A 25 LYS HEx 1.0 1.8 4.48 589 483 A 25 LYS HBx A 25 LYS HEx 1.0 1.8 4.48 590 483 A 25 LYS HEy A 25 LYS HBy 1.0 1.8 4.48 591 483 A 25 LYS HBx A 25 LYS HEy 1.0 1.8 4.48 592 484 A 26 GLU H A 26 GLU HBx 1.0 1.8 3.23 593 484 A 26 GLU H A 26 GLU HBy 1.0 1.8 3.23 594 485 A 26 GLU H A 26 GLU HGx 1.0 1.8 3.65 595 485 A 26 GLU H A 26 GLU HGy 1.0 1.8 3.65 596 486 A 26 GLU HA A 26 GLU HGx 1.0 1.8 3.72 597 486 A 26 GLU HGy A 26 GLU HA 1.0 1.8 3.72 598 487 A 27 HIS H A 26 GLU HBx 1.0 1.8 3.94 599 487 A 27 HIS H A 26 GLU HBy 1.0 1.8 3.94 600 488 A 27 HIS HD2 A 26 GLU HBx 1.0 1.8 4.02 601 488 A 27 HIS HD2 A 26 GLU HBy 1.0 1.8 4.02 602 489 A 27 HIS H A 27 HIS HBy 1.0 1.8 3.20 603 489 A 27 HIS H A 27 HIS HBx 1.0 1.8 3.20 604 490 A 28 TYR H A 27 HIS HBy 1.0 1.8 4.03 605 490 A 28 TYR H A 27 HIS HBx 1.0 1.8 4.03 606 491 A 28 TYR HE% A 27 HIS HBy 1.0 1.8 3.98 607 491 A 28 TYR HE% A 27 HIS HBx 1.0 1.8 3.98 608 492 A 28 TYR H A 28 TYR HBy 1.0 1.8 3.64 609 492 A 28 TYR H A 28 TYR HBx 1.0 1.8 3.64 610 493 A 29 HIS H A 28 TYR HBy 1.0 1.8 3.76 611 493 A 29 HIS H A 28 TYR HBx 1.0 1.8 3.76 612 494 A 31 ALA HB% A 28 TYR HBy 1.0 1.8 3.40 613 494 A 31 ALA HB% A 28 TYR HBx 1.0 1.8 3.40 614 495 A 29 HIS H A 29 HIS HBy 1.0 1.8 3.06 615 495 A 29 HIS H A 29 HIS HBx 1.0 1.8 3.06 616 496 A 30 HIS H A 29 HIS HBy 1.0 1.8 3.98 617 496 A 30 HIS H A 29 HIS HBx 1.0 1.8 3.98 618 497 A 30 HIS H A 30 HIS HBy 1.0 1.8 3.38 619 497 A 30 HIS H A 30 HIS HBx 1.0 1.8 3.38 620 498 A 30 HIS HE1 A 30 HIS HBy 1.0 1.8 4.46 621 498 A 30 HIS HBx A 30 HIS HE1 1.0 1.8 4.46 622 499 A 31 ALA H A 30 HIS HBy 1.0 1.8 4.32 623 499 A 31 ALA H A 30 HIS HBx 1.0 1.8 4.32 624 500 A 31 ALA HA A 49 GLY HAy 1.0 1.8 3.72 625 500 A 31 ALA HA A 49 GLY HAx 1.0 1.8 3.72 626 501 A 32 CYS H A 33 LYS HBy 1.0 1.8 4.88 627 501 A 32 CYS H A 33 LYS HBx 1.0 1.8 4.88 628 502 A 32 CYS H A 49 GLY HAy 1.0 1.8 3.40 629 502 A 32 CYS H A 49 GLY HAx 1.0 1.8 3.40 630 503 A 33 LYS H A 33 LYS HGy 1.0 1.8 4.81 631 503 A 33 LYS H A 33 LYS HGx 1.0 1.8 4.81 632 504 A 33 LYS H A 48 TYR HBy 1.0 1.8 4.59 633 504 A 33 LYS H A 48 TYR HBx 1.0 1.8 4.59 634 505 A 33 LYS H A 49 GLY HAy 1.0 1.8 4.51 635 505 A 33 LYS H A 49 GLY HAx 1.0 1.8 4.51 636 506 A 48 TYR H A 33 LYS HBy 1.0 1.8 4.60 637 506 A 48 TYR H A 33 LYS HBx 1.0 1.8 4.60 638 507 A 33 LYS HBx A 48 TYR HBy 1.0 1.8 3.75 639 507 A 48 TYR HBx A 33 LYS HBy 1.0 1.8 3.75 640 507 A 48 TYR HBx A 33 LYS HBx 1.0 1.8 3.75 641 507 A 33 LYS HBy A 48 TYR HBy 1.0 1.8 3.75 642 508 A 48 TYR HD% A 33 LYS HBy 1.0 1.8 4.03 643 508 A 48 TYR HD% A 33 LYS HBx 1.0 1.8 4.03 644 509 A 34 GLY H A 33 LYS HGy 1.0 1.8 4.09 645 509 A 34 GLY H A 33 LYS HGx 1.0 1.8 4.09 646 510 A 33 LYS HGx A 48 TYR HBy 1.0 1.8 5.02 647 510 A 33 LYS HGy A 48 TYR HBy 1.0 1.8 5.02 648 510 A 48 TYR HBx A 33 LYS HGy 1.0 1.8 5.02 649 510 A 48 TYR HBx A 33 LYS HGx 1.0 1.8 5.02 650 511 A 48 TYR HD% A 33 LYS HGy 1.0 1.8 4.20 651 511 A 48 TYR HD% A 33 LYS HGx 1.0 1.8 4.20 652 512 A 35 GLU H A 35 GLU HBy 1.0 1.8 3.51 653 512 A 35 GLU H A 35 GLU HBx 1.0 1.8 3.51 654 513 A 35 GLU H A 35 GLU HGx 1.0 1.8 4.61 655 513 A 35 GLU H A 35 GLU HGy 1.0 1.8 4.61 656 514 A 35 GLU H A 46 HIS HBy 1.0 1.8 4.70 657 514 A 35 GLU H A 46 HIS HBx 1.0 1.8 4.70 658 515 A 35 GLU HA A 36 CYS HBx 1.0 1.8 4.63 659 515 A 35 GLU HA A 36 CYS HBy 1.0 1.8 4.63 660 516 A 36 CYS H A 35 GLU HBy 1.0 1.8 3.74 661 516 A 36 CYS H A 35 GLU HBx 1.0 1.8 3.74 662 517 A 36 CYS H A 35 GLU HGx 1.0 1.8 4.59 663 517 A 36 CYS H A 35 GLU HGy 1.0 1.8 4.59 664 518 A 36 CYS H A 36 CYS HBx 1.0 1.8 3.13 665 518 A 36 CYS H A 36 CYS HBy 1.0 1.8 3.13 666 519 A 36 CYS HA A 37 GLU HGx 1.0 1.8 4.57 667 519 A 36 CYS HA A 37 GLU HGy 1.0 1.8 4.57 668 520 A 37 GLU H A 36 CYS HBx 1.0 1.8 4.23 669 520 A 37 GLU H A 36 CYS HBy 1.0 1.8 4.23 670 521 A 36 CYS HBx A 43 VAL HGx% 1.0 1.8 3.34 671 521 A 36 CYS HBy A 43 VAL HGx% 1.0 1.8 3.34 672 521 A 43 VAL HGy% A 36 CYS HBx 1.0 1.8 3.34 673 521 A 43 VAL HGy% A 36 CYS HBy 1.0 1.8 3.34 674 522 A 37 GLU H A 37 GLU HBx 1.0 1.8 3.52 675 522 A 37 GLU H A 37 GLU HBy 1.0 1.8 3.52 676 523 A 37 GLU H A 37 GLU HGx 1.0 1.8 3.71 677 523 A 37 GLU H A 37 GLU HGy 1.0 1.8 3.71 678 524 A 37 GLU H A 43 VAL HGx% 1.0 1.8 4.27 679 524 A 37 GLU H A 43 VAL HGy% 1.0 1.8 4.27 680 525 A 38 TYR H A 37 GLU HBx 1.0 1.8 4.31 681 525 A 38 TYR H A 37 GLU HBy 1.0 1.8 4.31 682 526 A 38 TYR H A 38 TYR HBy 1.0 1.8 3.13 683 526 A 38 TYR H A 38 TYR HBx 1.0 1.8 3.13 684 527 A 38 TYR H A 43 VAL HGx% 1.0 1.8 4.79 685 527 A 38 TYR H A 43 VAL HGy% 1.0 1.8 4.79 686 528 A 38 TYR HD% A 43 VAL HGx% 1.0 1.8 3.56 687 528 A 38 TYR HD% A 43 VAL HGy% 1.0 1.8 3.56 688 529 A 38 TYR HE% A 43 VAL HGx% 1.0 1.8 3.93 689 529 A 38 TYR HE% A 43 VAL HGy% 1.0 1.8 3.93 690 530 A 39 HIS H A 43 VAL HGx% 1.0 1.8 4.72 691 530 A 39 HIS H A 43 VAL HGy% 1.0 1.8 4.72 692 531 A 41 ARG H A 40 GLY HAx 1.0 1.8 2.87 693 531 A 41 ARG H A 40 GLY HAy 1.0 1.8 2.87 694 532 A 41 ARG H A 41 ARG HBy 1.0 1.8 3.30 695 532 A 41 ARG H A 41 ARG HBx 1.0 1.8 3.30 696 533 A 41 ARG H A 41 ARG HGy 1.0 1.8 4.72 697 533 A 41 ARG H A 41 ARG HGx 1.0 1.8 4.72 698 534 A 41 ARG HA A 41 ARG HGy 1.0 1.8 3.66 699 534 A 41 ARG HGx A 41 ARG HA 1.0 1.8 3.66 700 535 A 42 GLU H A 41 ARG HBy 1.0 1.8 4.38 701 535 A 42 GLU H A 41 ARG HBx 1.0 1.8 4.38 702 536 A 42 GLU H A 42 GLU HBx 1.0 1.8 3.33 703 536 A 42 GLU H A 42 GLU HBy 1.0 1.8 3.33 704 537 A 42 GLU H A 42 GLU HGy 1.0 1.8 4.13 705 537 A 42 GLU H A 42 GLU HGx 1.0 1.8 4.13 706 538 A 43 VAL H A 42 GLU HBx 1.0 1.8 4.12 707 538 A 43 VAL H A 42 GLU HBy 1.0 1.8 4.12 708 539 A 44 HIS H A 43 VAL HGx% 1.0 1.8 3.53 709 539 A 44 HIS H A 43 VAL HGy% 1.0 1.8 3.53 710 540 A 44 HIS H A 44 HIS HBy 1.0 1.8 3.48 711 540 A 44 HIS H A 44 HIS HBx 1.0 1.8 3.48 712 541 A 45 CYS H A 44 HIS HBy 1.0 1.8 3.58 713 541 A 45 CYS H A 44 HIS HBx 1.0 1.8 3.58 714 542 A 46 HIS H A 44 HIS HBy 1.0 1.8 5.34 715 542 A 46 HIS H A 44 HIS HBx 1.0 1.8 5.34 716 543 A 45 CYS H A 45 CYS HBx 1.0 1.8 3.28 717 543 A 45 CYS H A 45 CYS HBy 1.0 1.8 3.28 718 544 A 46 HIS H A 45 CYS HBx 1.0 1.8 4.08 719 544 A 46 HIS H A 45 CYS HBy 1.0 1.8 4.08 720 545 A 46 HIS H A 46 HIS HBy 1.0 1.8 3.41 721 545 A 46 HIS H A 46 HIS HBx 1.0 1.8 3.41 722 546 A 47 CYS H A 46 HIS HBy 1.0 1.8 4.06 723 546 A 47 CYS H A 46 HIS HBx 1.0 1.8 4.06 724 547 A 48 TYR H A 48 TYR HBy 1.0 1.8 3.48 725 547 A 48 TYR H A 48 TYR HBx 1.0 1.8 3.48 726 548 A 49 GLY H A 48 TYR HBy 1.0 1.8 3.60 727 548 A 49 GLY H A 48 TYR HBx 1.0 1.8 3.60 728 549 A 50 ASP H A 50 ASP HBy 1.0 1.8 3.27 729 549 A 50 ASP H A 50 ASP HBx 1.0 1.8 3.27 730 550 A 51 TYR H A 50 ASP HBy 1.0 1.8 4.10 731 550 A 51 TYR H A 50 ASP HBx 1.0 1.8 4.10 732 551 A 51 TYR H A 51 TYR HBy 1.0 1.8 3.26 733 551 A 51 TYR H A 51 TYR HBx 1.0 1.8 3.26 734 552 A 52 HIS H A 52 HIS HBx 1.0 1.8 3.65 735 552 A 52 HIS H A 52 HIS HBy 1.0 1.8 3.65 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 23 VAL H A 19 ALA O 1.0 0.0 2.0 2 2 A 19 ALA O A 23 VAL N 1.0 0.0 3.0 3 3 A 24 CYS H A 20 CYS O 1.0 0.0 2.0 4 4 A 20 CYS O A 24 CYS N 1.0 0.0 3.0 5 5 A 27 HIS H A 23 VAL O 1.0 0.0 2.0 6 6 A 23 VAL O A 27 HIS N 1.0 0.0 3.0 7 7 A 7 LEU H A 47 CYS O 1.0 0.0 2.0 8 8 A 47 CYS O A 7 LEU N 1.0 0.0 3.0 9 9 A 48 TYR H A 33 LYS O 1.0 0.0 2.0 10 10 A 33 LYS O A 48 TYR N 1.0 0.0 3.0 11 11 A 10 ALA H A 45 CYS O 1.0 0.0 2.0 12 12 A 45 CYS O A 10 ALA N 1.0 0.0 3.0 13 13 A 35 GLU H A 46 HIS O 1.0 0.0 2.0 14 14 A 46 HIS O A 35 GLU N 1.0 0.0 3.0 15 15 A 49 GLY H A 5 HIS O 1.0 0.0 2.0 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 ALA C A 2 HIS N A 2 HIS CA A 2 HIS C 1.0 -120.0 -20.0 PHI 2 2 A 2 HIS N A 2 HIS CA A 2 HIS C A 3 CYS N 1.0 100.0 180.0 PSI 3 3 A 2 HIS 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 ASP N A 4 ASP CA A 4 ASP C 1.0 -180.0 -20.0 PHI 5 5 A 4 ASP C A 5 HIS N A 5 HIS CA A 5 HIS C 1.0 -120.0 -40.0 PHI 6 6 A 5 HIS N A 5 HIS CA A 5 HIS C A 6 PHE N 1.0 100.0 160.0 PSI 7 7 A 5 HIS C A 6 PHE N A 6 PHE CA A 6 PHE C 1.0 -110.0 -50.0 PHI 8 8 A 6 PHE N A 6 PHE CA A 6 PHE C A 7 LEU N 1.0 100.0 160.0 PSI 9 9 A 6 PHE C A 7 LEU N A 7 LEU CA A 7 LEU C 1.0 -160.0 -60.0 PHI 10 10 A 8 GLY C A 9 GLU N A 9 GLU CA A 9 GLU C 1.0 -160.0 -80.0 PHI 11 11 A 9 GLU N A 9 GLU CA A 9 GLU C A 10 ALA N 1.0 120.0 180.0 PSI 12 12 A 9 GLU C A 10 ALA N A 10 ALA CA A 10 ALA C 1.0 -140.0 -80.0 PHI 13 13 A 10 ALA N A 10 ALA CA A 10 ALA C A 11 PRO N 1.0 110.0 170.0 PSI 14 14 A 11 PRO N A 11 PRO CA A 11 PRO C A 12 VAL N 1.0 90.0 170.0 PSI 15 15 A 11 PRO C A 12 VAL N A 12 VAL CA A 12 VAL C 1.0 -160.0 -60.0 PHI 16 16 A 12 VAL N A 12 VAL CA A 12 VAL C A 13 TYR N 1.0 100.0 160.0 PSI 17 17 A 12 VAL C A 13 TYR N A 13 TYR CA A 13 TYR C 1.0 -160.0 -80.0 PHI 18 18 A 13 TYR N A 13 TYR CA A 13 TYR C A 14 PRO N 1.0 110.0 170.0 PSI 19 19 A 14 PRO N A 14 PRO CA A 14 PRO C A 15 CYS N 1.0 100.0 180.0 PSI 20 20 A 16 LYS C A 17 GLU N A 17 GLU CA A 17 GLU C 1.0 -90.0 -30.0 PHI 21 21 A 17 GLU N A 17 GLU CA A 17 GLU C A 18 LYS N 1.0 -70.0 -10.0 PSI 22 22 A 17 GLU C A 18 LYS N A 18 LYS CA A 18 LYS C 1.0 -110.0 -50.0 PHI 23 23 A 18 LYS N A 18 LYS CA A 18 LYS C A 19 ALA N 1.0 -70.0 -10.0 PSI 24 24 A 18 LYS C A 19 ALA N A 19 ALA CA A 19 ALA C 1.0 -90.0 -30.0 PHI 25 25 A 19 ALA N A 19 ALA CA A 19 ALA C A 20 CYS N 1.0 -70.0 -10.0 PSI 26 26 A 19 ALA C A 20 CYS N A 20 CYS CA A 20 CYS C 1.0 -100.0 -40.0 PHI 27 27 A 20 CYS N A 20 CYS CA A 20 CYS C A 21 LYS N 1.0 -70.0 -10.0 PSI 28 28 A 20 CYS C A 21 LYS N A 21 LYS CA A 21 LYS C 1.0 -90.0 -30.0 PHI 29 29 A 21 LYS N A 21 LYS CA A 21 LYS C A 22 SER N 1.0 -70.0 -10.0 PSI 30 30 A 21 LYS C A 22 SER N A 22 SER CA A 22 SER C 1.0 -100.0 -40.0 PHI 31 31 A 22 SER N A 22 SER CA A 22 SER C A 23 VAL N 1.0 -70.0 -10.0 PSI 32 32 A 22 SER C A 23 VAL N A 23 VAL CA A 23 VAL C 1.0 -90.0 -30.0 PHI 33 33 A 23 VAL N A 23 VAL CA A 23 VAL C A 24 CYS N 1.0 -70.0 -10.0 PSI 34 34 A 23 VAL C A 24 CYS N A 24 CYS CA A 24 CYS C 1.0 -100.0 -40.0 PHI 35 35 A 24 CYS N A 24 CYS CA A 24 CYS C A 25 LYS N 1.0 -70.0 -10.0 PSI 36 36 A 24 CYS C A 25 LYS N A 25 LYS CA A 25 LYS C 1.0 -100.0 -40.0 PHI 37 37 A 25 LYS N A 25 LYS CA A 25 LYS C A 26 GLU N 1.0 -70.0 -10.0 PSI 38 38 A 25 LYS C A 26 GLU N A 26 GLU CA A 26 GLU C 1.0 -100.0 -40.0 PHI 39 39 A 26 GLU N A 26 GLU CA A 26 GLU C A 27 HIS N 1.0 -60.0 0.0 PSI 40 40 A 26 GLU C A 27 HIS N A 27 HIS CA A 27 HIS C 1.0 -110.0 -50.0 PHI 41 41 A 27 HIS N A 27 HIS CA A 27 HIS C A 28 TYR N 1.0 -60.0 0.0 PSI 42 42 A 27 HIS C A 28 TYR N A 28 TYR CA A 28 TYR C 1.0 -180.0 -20.0 PHI 43 43 A 29 HIS C A 30 HIS N A 30 HIS CA A 30 HIS C 1.0 -180.0 -20.0 PHI 44 44 A 32 CYS C A 33 LYS N A 33 LYS CA A 33 LYS C 1.0 -160.0 -100.0 PHI 45 45 A 33 LYS N A 33 LYS CA A 33 LYS C A 34 GLY N 1.0 110.0 170.0 PSI 46 46 A 34 GLY C A 35 GLU N A 35 GLU CA A 35 GLU C 1.0 -160.0 -100.0 PHI 47 47 A 35 GLU N A 35 GLU CA A 35 GLU C A 36 CYS N 1.0 120.0 180.0 PSI 48 48 A 35 GLU C A 36 CYS N A 36 CYS CA A 36 CYS C 1.0 -120.0 -40.0 PHI 49 49 A 36 CYS N A 36 CYS CA A 36 CYS C A 37 GLU N 1.0 100.0 160.0 PSI 50 50 A 36 CYS C A 37 GLU N A 37 GLU CA A 37 GLU C 1.0 -160.0 -80.0 PHI 51 51 A 37 GLU C A 38 TYR N A 38 TYR CA A 38 TYR C 1.0 -150.0 -70.0 PHI 52 52 A 38 TYR N A 38 TYR CA A 38 TYR C A 39 HIS N 1.0 100.0 180.0 PSI 53 53 A 38 TYR C A 39 HIS N A 39 HIS CA A 39 HIS C 1.0 -180.0 -20.0 PHI 54 54 A 39 HIS N A 39 HIS CA A 39 HIS C A 40 GLY N 1.0 90.0 150.0 PSI 55 55 A 40 GLY C A 41 ARG N A 41 ARG CA A 41 ARG C 1.0 -130.0 -60.0 PHI 56 56 A 41 ARG C A 42 GLU N A 42 GLU CA A 42 GLU C 1.0 -130.0 -60.0 PHI 57 57 A 42 GLU C A 43 VAL N A 43 VAL CA A 43 VAL C 1.0 -150.0 -70.0 PHI 58 58 A 43 VAL N A 43 VAL CA A 43 VAL C A 44 HIS N 1.0 90.0 170.0 PSI 59 59 A 43 VAL C A 44 HIS N A 44 HIS CA A 44 HIS C 1.0 -150.0 -90.0 PHI 60 60 A 44 HIS N A 44 HIS CA A 44 HIS C A 45 CYS N 1.0 100.0 160.0 PSI 61 61 A 45 CYS N A 45 CYS CA A 45 CYS C A 46 HIS N 1.0 100.0 160.0 PSI 62 62 A 45 CYS C A 46 HIS N A 46 HIS CA A 46 HIS C 1.0 -140.0 -80.0 PHI 63 63 A 46 HIS N A 46 HIS CA A 46 HIS C A 47 CYS N 1.0 100.0 160.0 PSI 64 64 A 46 HIS C A 47 CYS N A 47 CYS CA A 47 CYS C 1.0 -130.0 -70.0 PHI 65 65 A 47 CYS N A 47 CYS CA A 47 CYS C A 48 TYR N 1.0 100.0 160.0 PSI 66 66 A 47 CYS C A 48 TYR N A 48 TYR CA A 48 TYR C 1.0 -170.0 -90.0 PHI 67 67 A 48 TYR N A 48 TYR CA A 48 TYR C A 49 GLY N 1.0 120.0 180.0 PSI 68 68 A 49 GLY C A 50 ASP N A 50 ASP CA A 50 ASP C 1.0 -140.0 -80.0 PHI 69 69 A 50 ASP N A 50 ASP CA A 50 ASP C A 51 TYR N 1.0 100.0 160.0 PSI 70 70 A 50 ASP C A 51 TYR N A 51 TYR CA A 51 TYR C 1.0 -140.0 -60.0 PHI 71 71 A 51 TYR N A 51 TYR CA A 51 TYR C A 52 HIS N 1.0 110.0 170.0 PSI 72 72 A 3 CYS N A 3 CYS CA A 3 CYS CB A 3 CYS SG 1.0 -90.0 -30.0 CHI1 73 73 A 6 PHE N A 6 PHE CA A 6 PHE CB A 6 PHE CG 1.0 -210.0 -30.0 CHI1 74 74 A 7 LEU N A 7 LEU CA A 7 LEU CB A 7 LEU CG 1.0 -90.0 -30.0 CHI1 75 75 A 15 CYS N A 15 CYS CA A 15 CYS CB A 15 CYS SG 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 -210.0 -30.0 CHI1 77 77 A 27 HIS N A 27 HIS CA A 27 HIS CB A 27 HIS CG 1.0 -90.0 -30.0 CHI1 78 78 A 29 HIS N A 29 HIS CA A 29 HIS CB A 29 HIS CG 1.0 -90.0 -30.0 CHI1 79 79 A 36 CYS N A 36 CYS CA A 36 CYS CB A 36 CYS SG 1.0 -210.0 -30.0 CHI1 80 80 A 37 GLU N A 37 GLU CA A 37 GLU CB A 37 GLU CG 1.0 -90.0 -30.0 CHI1 81 81 A 41 ARG N A 41 ARG CA A 41 ARG CB A 41 ARG CG 1.0 -210.0 -30.0 CHI1 82 82 A 47 CYS N A 47 CYS CA A 47 CYS CB A 47 CYS SG 1.0 -90.0 -30.0 CHI1 83 83 A 48 TYR N A 48 TYR CA A 48 TYR CB A 48 TYR CG 1.0 -90.0 -30.0 CHI1 stop_ save_