data_nef_c18345_2lr3 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 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 34 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 ARG start . . 2 A 2 THR middle . . 3 A 3 CYS middle -HG . 4 A 4 GLU middle . . 5 A 5 SER middle . . 6 A 6 GLN middle . . 7 A 7 SER middle . . 8 A 8 HIS middle . . 9 A 9 LYS middle . . 10 A 10 PHE 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 ALA middle . . 16 A 16 SER middle . . 17 A 17 ASP middle . . 18 A 18 HIS middle . . 19 A 19 ASN middle . . 20 A 20 CYS middle -HG . 21 A 21 ALA middle . . 22 A 22 SER middle . . 23 A 23 VAL middle . . 24 A 24 CYS middle -HG . 25 A 25 GLN middle . . 26 A 26 THR middle . . 27 A 27 GLU middle . . 28 A 28 ARG middle . . 29 A 29 PHE middle . . 30 A 30 SER middle . . 31 A 31 GLY middle . false 32 A 32 GLY middle . false 33 A 33 ARG middle . . 34 A 34 CYS middle -HG . 35 A 35 ARG middle . . 36 A 36 GLY middle . false 37 A 37 PHE middle . . 38 A 38 ARG middle . . 39 A 39 ARG middle . . 40 A 40 ARG middle . . 41 A 41 CYS middle -HG . 42 A 42 PHE middle . . 43 A 43 CYS middle -HG . 44 A 44 THR middle . . 45 A 45 THR middle . . 46 A 46 HIS middle . . 47 A 47 CYS end -HG . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 2 THR H H 1 8.842 0.02 A 2 THR HA H 1 4.847 0.005 A 2 THR HB H 1 4.043 0.005 A 2 THR HG2% H 1 1.149 0.005 A 2 THR N N 15 118.7 0.2 A 3 CYS H H 1 8.950 0.005 A 3 CYS HA H 1 4.965 0.005 A 3 CYS HBy H 1 3.062 0.005 A 3 CYS HBx H 1 2.817 0.005 A 3 CYS CB C 13 41.7 0.2 A 3 CYS N N 15 125.4 0.2 A 4 GLU H H 1 8.550 0.02 A 4 GLU HA H 1 5.570 0.005 A 4 GLU HBy H 1 1.905 0.005 A 4 GLU HBx H 1 1.785 0.005 A 4 GLU HGy H 1 2.071 0.005 A 4 GLU HGx H 1 2.059 0.005 A 4 GLU CG C 13 36.1 0.2 A 4 GLU N N 15 120.2 0.2 A 5 SER H H 1 8.748 0.005 A 5 SER HA H 1 4.660 0.005 A 5 SER HBy H 1 3.574 0.005 A 5 SER HBx H 1 3.505 0.005 A 5 SER N N 15 116.0 0.2 A 6 GLN H H 1 8.993 0.005 A 6 GLN HA H 1 3.358 0.005 A 6 GLN HBy H 1 1.579 0.005 A 6 GLN HBx H 1 1.514 0.005 A 6 GLN HE2y H 1 7.349 0.005 A 6 GLN HE2x H 1 6.848 0.005 A 6 GLN HGx H 1 2.200 0.005 A 6 GLN HGy H 1 2.200 0.005 A 6 GLN N N 15 127.2 0.2 A 6 GLN NE2 N 15 110.5 0.2 A 7 SER H H 1 8.165 0.005 A 7 SER HA H 1 4.291 0.005 A 7 SER HBy H 1 4.048 0.005 A 7 SER HBx H 1 3.396 0.005 A 7 SER N N 15 119.4 0.2 A 8 HIS H H 1 10.50 0.005 A 8 HIS HA H 1 4.808 0.005 A 8 HIS HBx H 1 3.246 0.005 A 8 HIS HBy H 1 3.394 0.005 A 8 HIS CB C 13 29.1 0.2 A 8 HIS N N 15 128.4 0.2 A 9 LYS H H 1 8.401 0.005 A 9 LYS HA H 1 4.284 0.005 A 9 LYS HBy H 1 1.694 0.005 A 9 LYS HBx H 1 1.634 0.005 A 9 LYS HDx H 1 1.435 0.005 A 9 LYS HDy H 1 1.435 0.005 A 9 LYS HGx H 1 1.327 0.005 A 9 LYS HGy H 1 1.327 0.005 A 9 LYS N N 15 119.1 0.2 A 10 PHE H H 1 8.324 0.005 A 10 PHE HA H 1 3.964 0.005 A 10 PHE HBy H 1 3.016 0.005 A 10 PHE HBx H 1 2.937 0.005 A 10 PHE HDx H 1 7.100 0.005 A 10 PHE HDy H 1 7.100 0.005 A 10 PHE HEx H 1 7.018 0.005 A 10 PHE HEy H 1 7.018 0.005 A 10 PHE HZ H 1 7.600 0.005 A 10 PHE CB C 13 39.0 0.2 A 10 PHE N N 15 121.7 0.2 A 11 LYS H H 1 7.905 0.005 A 11 LYS HA H 1 4.632 0.005 A 11 LYS HBy H 1 1.673 0.005 A 11 LYS HBx H 1 1.569 0.005 A 11 LYS HGx H 1 1.318 0.005 A 11 LYS HGy H 1 1.318 0.005 A 11 LYS CB C 13 35.1 0.2 A 11 LYS N N 15 129.0 0.2 A 12 GLY H H 1 8.425 0.005 A 12 GLY HAy H 1 4.214 0.005 A 12 GLY HAx H 1 3.884 0.005 A 12 GLY N N 15 110.0 0.2 A 13 PRO HA H 1 4.530 0.005 A 13 PRO HBy H 1 2.271 0.005 A 13 PRO HBx H 1 1.827 0.005 A 13 PRO HDy H 1 3.677 0.005 A 13 PRO HDx H 1 3.615 0.005 A 13 PRO HGy H 1 2.159 0.005 A 13 PRO HGx H 1 2.051 0.005 A 13 PRO CB C 13 31.9 0.2 A 14 CYS H H 1 8.626 0.005 A 14 CYS HA H 1 4.728 0.005 A 14 CYS HBy H 1 2.878 0.005 A 14 CYS HBx H 1 1.821 0.005 A 14 CYS CB C 13 33.1 0.2 A 14 CYS N N 15 125.2 0.02 A 15 ALA H H 1 8.735 0.005 A 15 ALA HA H 1 4.586 0.005 A 15 ALA HB% H 1 1.450 0.005 A 15 ALA N N 15 130.1 0.2 A 16 SER H H 1 7.673 0.005 A 16 SER HA H 1 4.812 0.005 A 16 SER HBy H 1 4.023 0.005 A 16 SER HBx H 1 3.901 0.005 A 16 SER N N 15 112.4 0.2 A 17 ASP H H 1 9.211 0.005 A 17 ASP HA H 1 4.340 0.005 A 17 ASP HBy H 1 2.902 0.005 A 17 ASP HBx H 1 2.685 0.005 A 17 ASP CB C 13 40.2 0.2 A 17 ASP N N 15 130.8 0.2 A 18 HIS H H 1 8.714 0.005 A 18 HIS HA H 1 4.431 0.005 A 18 HIS HBy H 1 3.351 0.005 A 18 HIS HBx H 1 3.142 0.005 A 18 HIS CB C 13 28.1 0.2 A 18 HIS N N 15 117.1 0.2 A 19 ASN H H 1 8.001 0.005 A 19 ASN HA H 1 4.590 0.005 A 19 ASN HBy H 1 3.178 0.005 A 19 ASN HBx H 1 3.096 0.005 A 19 ASN HD2y H 1 7.741 0.005 A 19 ASN HD2x H 1 7.193 0.005 A 19 ASN CB C 13 38.2 0.2 A 19 ASN N N 15 119.3 0.2 A 19 ASN ND2 N 15 111.1 0.2 A 20 CYS H H 1 7.646 0.005 A 20 CYS HA H 1 4.511 0.005 A 20 CYS HBy H 1 2.869 0.005 A 20 CYS HBx H 1 2.495 0.005 A 20 CYS CB C 13 35.4 0.2 A 20 CYS N N 15 117.5 0.2 A 21 ALA H H 1 8.851 0.005 A 21 ALA HA H 1 3.577 0.005 A 21 ALA HB% H 1 1.587 0.005 A 21 ALA N N 15 121.7 0.2 A 22 SER H H 1 8.040 0.005 A 22 SER HA H 1 4.212 0.005 A 22 SER HBy H 1 3.999 0.005 A 22 SER HBx H 1 3.975 0.005 A 22 SER N N 15 112.2 0.2 A 23 VAL H H 1 7.940 0.005 A 23 VAL HA H 1 3.842 0.005 A 23 VAL HB H 1 2.446 0.005 A 23 VAL HGx% H 1 1.225 0.005 A 23 VAL HGy% H 1 1.052 0.005 A 23 VAL CB C 13 32.0 0.2 A 23 VAL N N 15 123.4 0.2 A 24 CYS H H 1 9.188 0.005 A 24 CYS HA H 1 4.714 0.005 A 24 CYS HBy H 1 2.910 0.005 A 24 CYS HBx H 1 2.746 0.005 A 24 CYS CB C 13 38.4 0.2 A 24 CYS N N 15 121.4 0.2 A 25 GLN H H 1 8.414 0.005 A 25 GLN HBx H 1 2.600 0.005 A 25 GLN HBy H 1 2.600 0.005 A 25 GLN HE2y H 1 7.164 0.005 A 25 GLN HE2x H 1 6.824 0.005 A 25 GLN HGy H 1 2.448 0.005 A 25 GLN HGx H 1 2.196 0.005 A 25 GLN CB C 13 31.1 0.2 A 25 GLN CG C 13 38.5 0.2 A 25 GLN N N 15 120.5 0.2 A 25 GLN NE2 N 15 108.9 0.2 A 26 THR H H 1 8.084 0.005 A 26 THR HA H 1 4.527 0.005 A 26 THR HB H 1 4.527 0.005 A 26 THR HG2% H 1 1.492 0.005 A 26 THR N N 15 114.5 0.2 A 27 GLU H H 1 7.705 0.005 A 27 GLU HA H 1 4.441 0.005 A 27 GLU HBy H 1 2.623 0.005 A 27 GLU HBx H 1 2.217 0.005 A 27 GLU HGy H 1 2.623 0.005 A 27 GLU HGx H 1 2.524 0.005 A 27 GLU N N 15 122.1 0.2 A 28 ARG H H 1 7.817 0.005 A 28 ARG HA H 1 3.923 0.005 A 28 ARG HBy H 1 2.089 0.005 A 28 ARG HBx H 1 1.979 0.005 A 28 ARG HDx H 1 3.183 0.005 A 28 ARG HDy H 1 3.183 0.005 A 28 ARG HGx H 1 1.518 0.005 A 28 ARG HGy H 1 1.518 0.005 A 28 ARG N N 15 109.5 0.2 A 29 PHE H H 1 7.945 0.005 A 29 PHE HA H 1 4.986 0.005 A 29 PHE HBy H 1 3.806 0.005 A 29 PHE HBx H 1 2.725 0.005 A 29 PHE HDx H 1 7.335 0.005 A 29 PHE HDy H 1 7.335 0.005 A 29 PHE N N 15 117.7 0.2 A 30 SER H H 1 8.660 0.005 A 30 SER HA H 1 4.590 0.005 A 30 SER HBy H 1 4.063 0.005 A 30 SER HBx H 1 3.985 0.005 A 30 SER N N 15 113.1 0.2 A 31 GLY H H 1 7.746 0.005 A 31 GLY HAy H 1 4.210 0.005 A 31 GLY HAx H 1 4.020 0.005 A 31 GLY N N 15 107.5 0.2 A 32 GLY H H 1 7.985 0.005 A 32 GLY HAy H 1 4.672 0.005 A 32 GLY HAx H 1 4.345 0.005 A 32 GLY N N 15 107.3 0.02 A 33 ARG H H 1 8.935 0.005 A 33 ARG HA H 1 4.413 0.005 A 33 ARG HBy H 1 1.887 0.005 A 33 ARG HBx H 1 1.722 0.005 A 33 ARG HDx H 1 3.051 0.005 A 33 ARG HDy H 1 3.051 0.005 A 33 ARG HGy H 1 1.551 0.005 A 33 ARG HGx H 1 1.342 0.005 A 33 ARG CB C 13 32.8 0.2 A 33 ARG N N 15 115.4 0.2 A 34 CYS H H 1 8.831 0.005 A 34 CYS HA H 1 5.435 0.005 A 34 CYS HBx H 1 2.750 0.005 A 34 CYS HBy H 1 2.750 0.005 A 34 CYS CB C 13 36.7 0.2 A 34 CYS N N 15 120.2 0.2 A 35 ARG H H 1 9.507 0.005 A 35 ARG HA H 1 4.690 0.005 A 35 ARG HBy H 1 1.698 0.005 A 35 ARG HBx H 1 1.548 0.005 A 35 ARG HDy H 1 2.686 0.005 A 35 ARG HDx H 1 2.658 0.005 A 35 ARG HGy H 1 1.428 0.005 A 35 ARG HGx H 1 1.346 0.005 A 35 ARG N N 15 121.7 0.2 A 36 GLY H H 1 8.466 0.005 A 36 GLY HAy H 1 4.481 0.005 A 36 GLY HAx H 1 3.826 0.005 A 36 GLY N N 15 109.2 0.2 A 37 PHE H H 1 8.530 0.005 A 37 PHE HA H 1 4.421 0.005 A 37 PHE HBy H 1 3.266 0.005 A 37 PHE HBx H 1 3.061 0.005 A 37 PHE HDx H 1 7.300 0.005 A 37 PHE HDy H 1 7.300 0.005 A 37 PHE CB C 13 38.6 0.2 A 37 PHE N N 15 121.7 0.2 A 38 ARG H H 1 8.023 0.005 A 38 ARG HA H 1 3.795 0.005 A 38 ARG HBy H 1 2.090 0.005 A 38 ARG HBx H 1 1.802 0.005 A 38 ARG HDx H 1 3.185 0.005 A 38 ARG HDy H 1 3.185 0.005 A 38 ARG HGy H 1 1.669 0.005 A 38 ARG HGx H 1 1.615 0.005 A 38 ARG N N 15 118.5 0.2 A 39 ARG H H 1 8.222 0.005 A 39 ARG HA H 1 4.162 0.005 A 39 ARG HBx H 1 1.971 0.005 A 39 ARG HBy H 1 1.971 0.005 A 39 ARG HDx H 1 3.246 0.005 A 39 ARG HDy H 1 3.246 0.005 A 39 ARG HGx H 1 1.711 0.005 A 39 ARG HGy H 1 1.711 0.005 A 39 ARG N N 15 117.5 0.2 A 40 ARG H H 1 8.292 0.005 A 40 ARG HA H 1 4.592 0.005 A 40 ARG HBx H 1 1.802 0.005 A 40 ARG HBy H 1 1.802 0.005 A 40 ARG HDx H 1 3.172 0.005 A 40 ARG HDy H 1 3.172 0.005 A 40 ARG HGx H 1 1.613 0.005 A 40 ARG HGy H 1 1.613 0.005 A 40 ARG N N 15 122.5 0.2 A 41 CYS H H 1 9.320 0.005 A 41 CYS HA H 1 4.717 0.005 A 41 CYS HBy H 1 1.943 0.005 A 41 CYS HBx H 1 1.446 0.005 A 41 CYS CB C 13 35.2 0.2 A 41 CYS N N 15 120.1 0.2 A 42 PHE H H 1 8.910 0.005 A 42 PHE HA H 1 4.485 0.005 A 42 PHE HBy H 1 2.861 0.005 A 42 PHE HBx H 1 2.515 0.005 A 42 PHE HDx H 1 6.895 0.005 A 42 PHE HDy H 1 6.895 0.005 A 42 PHE HEx H 1 7.258 0.005 A 42 PHE HEy H 1 7.258 0.005 A 42 PHE CB C 13 41.5 0.2 A 42 PHE N N 15 130.0 0.2 A 43 CYS H H 1 8.819 0.005 A 43 CYS HA H 1 5.392 0.005 A 43 CYS HBy H 1 2.552 0.005 A 43 CYS HBx H 1 1.387 0.005 A 43 CYS CB C 13 36.2 0.2 A 43 CYS N N 15 120.9 0.2 A 44 THR H H 1 8.420 0.005 A 44 THR HA H 1 5.029 0.005 A 44 THR HB H 1 3.930 0.005 A 44 THR HG2% H 1 1.077 0.005 A 44 THR N N 15 115.2 0.2 A 45 THR H H 1 8.538 0.005 A 45 THR HA H 1 4.849 0.005 A 45 THR HB H 1 4.330 0.005 A 45 THR HG2% H 1 1.073 0.005 A 45 THR N N 15 116.9 0.2 A 46 HIS H H 1 8.548 0.005 A 46 HIS HA H 1 5.071 0.005 A 46 HIS HBx H 1 3.351 0.005 A 46 HIS HBy H 1 3.351 0.005 A 46 HIS CB C 13 28.7 0.2 A 46 HIS N N 15 121.8 0.2 A 47 CYS H H 1 8.465 0.005 A 47 CYS HA H 1 4.551 0.005 A 47 CYS HBx H 1 3.202 0.005 A 47 CYS HBy H 1 3.202 0.005 A 47 CYS N N 15 127.0 0.2 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 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 THR H A 2 THR HB 1.0 1.8 3.51 2 2 A 2 THR H A 2 THR HG2% 1.0 1.8 4.59 3 3 A 2 THR HG2% A 3 CYS H 1.0 1.8 3.94 4 4 A 2 THR HB A 3 CYS H 1.0 1.8 4.27 5 5 A 3 CYS HA A 4 GLU H 1.0 1.8 2.90 6 6 A 4 GLU H A 4 GLU HGy 1.0 1.8 4.84 7 7 A 4 GLU H A 4 GLU HGx 1.0 1.8 4.84 8 8 A 4 GLU H A 4 GLU HBy 1.0 1.8 4.16 9 9 A 4 GLU H A 4 GLU HBx 1.0 1.8 4.16 10 10 A 5 SER H A 44 THR HG2% 1.0 1.8 4.75 11 11 A 5 SER H A 45 THR HG2% 1.0 1.8 5.29 12 12 A 5 SER H A 4 GLU HBx 1.0 1.8 4.29 13 13 A 5 SER H A 4 GLU HBy 1.0 1.8 4.29 14 14 A 5 SER H A 42 PHE HBx 1.0 1.8 4.76 15 15 A 5 SER H A 44 THR HA 1.0 1.8 4.52 16 16 A 5 SER H A 4 GLU HA 1.0 1.8 2.94 17 17 A 4 GLU H A 5 SER H 1.0 1.8 4.83 18 18 A 5 SER H A 45 THR H 1.0 1.8 5.24 19 19 A 5 SER H A 42 PHE HDx 1.0 1.8 4.85 20 20 A 42 PHE HDx A 6 GLN H 1.0 1.8 4.85 21 21 A 6 GLN H A 6 GLN HGx 1.0 1.8 5.50 22 22 A 6 GLN H A 6 GLN HGy 1.0 1.8 5.50 23 23 A 6 GLN H A 6 GLN HBy 1.0 1.8 3.18 24 24 A 6 GLN H A 6 GLN HBx 1.0 1.8 3.12 25 25 A 6 GLN H A 5 SER HA 1.0 1.8 2.75 26 26 A 7 SER H A 42 PHE HA 1.0 1.8 3.72 27 27 A 7 SER H A 6 GLN HA 1.0 1.8 3.12 28 28 A 7 SER H A 6 GLN HGx 1.0 1.8 4.68 29 29 A 7 SER H A 6 GLN HGy 1.0 1.8 4.68 30 30 A 7 SER H A 43 CYS H 1.0 1.8 4.85 31 31 A 8 HIS H A 9 LYS H 1.0 1.8 3.73 32 32 A 9 LYS H A 8 HIS HBy 1.0 1.8 4.60 33 33 A 9 LYS H A 8 HIS HBx 1.0 1.8 4.60 34 34 A 9 LYS H A 9 LYS HBy 1.0 1.8 4.04 35 35 A 9 LYS H A 9 LYS HBx 1.0 1.8 4.04 36 36 A 10 PHE H A 9 LYS HBx 1.0 1.8 4.25 37 37 A 10 PHE H A 9 LYS HBy 1.0 1.8 4.25 38 38 A 10 PHE H A 10 PHE HBy 1.0 1.8 3.27 39 39 A 10 PHE H A 10 PHE HBx 1.0 1.8 3.43 40 40 A 8 HIS H A 10 PHE H 1.0 1.8 4.68 41 41 A 10 PHE H A 10 PHE HDy 1.0 1.8 4.61 42 42 A 10 PHE HDx A 11 LYS H 1.0 1.8 5.29 43 43 A 10 PHE HDy A 11 LYS H 1.0 1.8 5.50 44 44 A 11 LYS H A 10 PHE HA 1.0 1.8 3.08 45 45 A 10 PHE HBy A 11 LYS H 1.0 1.8 4.61 46 46 A 11 LYS H A 11 LYS HGx 1.0 1.8 5.50 47 47 A 11 LYS H A 11 LYS HGy 1.0 1.8 5.50 48 48 A 12 GLY H A 11 LYS HBx 1.0 1.8 4.53 49 49 A 12 GLY H A 11 LYS HBy 1.0 1.8 4.53 50 50 A 12 GLY H A 11 LYS HA 1.0 1.8 3.03 51 51 A 13 PRO HA A 14 CYS H 1.0 1.8 3.42 52 52 A 15 ALA H A 15 ALA HB% 1.0 1.8 3.09 53 53 A 15 ALA H A 14 CYS HA 1.0 1.8 3.08 54 54 A 15 ALA H A 10 PHE HEx 1.0 1.8 4.62 55 55 A 15 ALA H A 10 PHE HZ 1.0 1.8 4.23 56 56 A 15 ALA H A 16 SER H 1.0 1.8 3.08 57 57 A 14 CYS HA A 16 SER H 1.0 1.8 4.05 58 58 A 16 SER H A 19 ASN HBx 1.0 1.8 5.04 59 59 A 16 SER H A 19 ASN HBy 1.0 1.8 5.04 60 60 A 15 ALA HB% A 16 SER H 1.0 1.8 3.43 61 61 A 17 ASP H A 18 HIS H 1.0 1.8 3.54 62 62 A 16 SER H A 17 ASP H 1.0 1.8 4.58 63 63 A 17 ASP H A 17 ASP HBy 1.0 1.8 3.59 64 64 A 17 ASP H A 17 ASP HBx 1.0 1.8 3.59 65 65 A 18 HIS H A 17 ASP HBx 1.0 1.8 4.08 66 66 A 18 HIS H A 17 ASP HBy 1.0 1.8 4.08 67 67 A 18 HIS H A 18 HIS HBx 1.0 1.8 3.38 68 68 A 18 HIS H A 18 HIS HBy 1.0 1.8 3.21 69 69 A 18 HIS H A 19 ASN H 1.0 1.8 3.66 70 70 A 19 ASN H A 16 SER HBy 1.0 1.8 4.47 71 71 A 19 ASN H A 16 SER HBx 1.0 1.8 4.47 72 72 A 18 HIS HBy A 19 ASN H 1.0 1.8 4.25 73 73 A 20 CYS H A 20 CYS HBx 1.0 1.8 3.67 74 74 A 20 CYS H A 20 CYS HBy 1.0 1.8 3.67 75 75 A 20 CYS H A 19 ASN HBx 1.0 1.8 4.11 76 76 A 20 CYS H A 19 ASN HBy 1.0 1.8 4.11 77 77 A 20 CYS H A 17 ASP HA 1.0 1.8 4.49 78 78 A 20 CYS H A 10 PHE HEy 1.0 1.8 4.84 79 79 A 19 ASN H A 20 CYS H 1.0 1.8 3.66 80 80 A 21 ALA H A 22 SER H 1.0 1.8 3.45 81 81 A 20 CYS H A 21 ALA H 1.0 1.8 3.44 82 82 A 21 ALA H A 18 HIS HA 1.0 1.8 4.08 83 83 A 17 ASP HA A 21 ALA H 1.0 1.8 4.42 84 84 A 21 ALA H A 32 GLY HAx 1.0 1.8 4.92 85 85 A 21 ALA H A 20 CYS HBy 1.0 1.8 4.04 86 86 A 21 ALA H A 20 CYS HBx 1.0 1.8 4.04 87 87 A 21 ALA H A 21 ALA HB% 1.0 1.8 2.76 88 88 A 22 SER H A 21 ALA HB% 1.0 1.8 3.07 89 89 A 22 SER H A 22 SER HBx 1.0 1.8 2.95 90 90 A 23 VAL H A 24 CYS H 1.0 1.8 3.59 91 91 A 10 PHE HDy A 23 VAL H 1.0 1.8 5.28 92 92 A 23 VAL H A 20 CYS HA 1.0 1.8 4.58 93 93 A 22 SER HBx A 23 VAL H 1.0 1.8 3.48 94 94 A 23 VAL H A 23 VAL HB 1.0 1.8 3.32 95 95 A 23 VAL H A 23 VAL HGx% 1.0 1.8 3.95 96 96 A 23 VAL H A 23 VAL HGy% 1.0 1.8 3.95 97 97 A 24 CYS H A 23 VAL HGy% 1.0 1.8 4.37 98 98 A 24 CYS H A 23 VAL HGx% 1.0 1.8 4.37 99 99 A 24 CYS H A 23 VAL HB 1.0 1.8 3.73 100 100 A 24 CYS H A 24 CYS HBx 1.0 1.8 4.01 101 101 A 24 CYS H A 24 CYS HBy 1.0 1.8 4.01 102 102 A 24 CYS H A 21 ALA HA 1.0 1.8 4.35 103 103 A 24 CYS H A 25 GLN H 1.0 1.8 3.85 104 104 A 25 GLN H A 26 THR H 1.0 1.8 3.49 105 105 A 23 VAL H A 25 GLN H 1.0 1.8 4.78 106 106 A 25 GLN H A 27 GLU H 1.0 1.8 4.78 107 107 A 25 GLN H A 22 SER HA 1.0 1.8 3.93 108 108 A 22 SER HBx A 25 GLN H 1.0 1.8 5.50 109 109 A 25 GLN H A 23 VAL HA 1.0 1.8 4.71 110 110 A 25 GLN H A 26 THR HG2% 1.0 1.8 4.57 111 111 A 26 THR H A 26 THR HG2% 1.0 1.8 3.20 112 112 A 26 THR H A 23 VAL HA 1.0 1.8 4.19 113 113 A 26 THR H A 26 THR HB 1.0 1.8 4.03 114 114 A 26 THR H A 27 GLU H 1.0 1.8 3.38 115 115 A 27 GLU H A 28 ARG H 1.0 1.8 3.40 116 116 A 27 GLU H A 24 CYS HA 1.0 1.8 4.29 117 117 A 27 GLU H A 26 THR HB 1.0 1.8 4.26 118 118 A 27 GLU H A 28 ARG HA 1.0 1.8 5.38 119 119 A 27 GLU H A 27 GLU HBy 1.0 1.8 3.90 120 120 A 27 GLU H A 27 GLU HGy 1.0 1.8 3.89 121 121 A 27 GLU H A 27 GLU HGx 1.0 1.8 3.89 122 122 A 27 GLU H A 27 GLU HBx 1.0 1.8 3.90 123 123 A 27 GLU H A 26 THR HG2% 1.0 1.8 4.07 124 124 A 28 ARG H A 28 ARG HGx 1.0 1.8 5.50 125 125 A 28 ARG H A 28 ARG HGy 1.0 1.8 5.50 126 126 A 28 ARG H A 29 PHE H 1.0 1.8 4.46 127 127 A 29 PHE H A 29 PHE HDx 1.0 1.8 4.51 128 128 A 29 PHE H A 29 PHE HDy 1.0 1.8 4.96 129 129 A 28 ARG HA A 29 PHE H 1.0 1.8 3.55 130 130 A 29 PHE H A 29 PHE HBy 1.0 1.8 4.19 131 131 A 29 PHE H A 29 PHE HBx 1.0 1.8 4.19 132 132 A 30 SER H A 29 PHE HBx 1.0 1.8 4.55 133 133 A 30 SER H A 29 PHE HBy 1.0 1.8 4.55 134 134 A 30 SER H A 30 SER HBx 1.0 1.8 4.08 135 135 A 30 SER H A 30 SER HBy 1.0 1.8 4.08 136 136 A 30 SER H A 29 PHE HA 1.0 1.8 3.55 137 137 A 30 SER H A 31 GLY H 1.0 1.8 3.80 138 138 A 29 PHE HDy A 30 SER H 1.0 1.8 4.54 139 139 A 31 GLY H A 44 THR H 1.0 1.8 4.24 140 140 A 29 PHE HA A 31 GLY H 1.0 1.8 5.50 141 141 A 44 THR HG2% A 31 GLY H 1.0 1.8 5.29 142 142 A 21 ALA HB% A 32 GLY H 1.0 1.8 3.90 143 143 A 21 ALA HA A 32 GLY H 1.0 1.8 3.91 144 144 A 34 CYS H A 33 ARG HBx 1.0 1.8 4.17 145 145 A 34 CYS H A 33 ARG HBy 1.0 1.8 4.17 146 146 A 34 CYS H A 33 ARG HA 1.0 1.8 3.43 147 147 A 36 GLY H A 35 ARG HBy 1.0 1.8 4.58 148 148 A 36 GLY H A 35 ARG HBx 1.0 1.8 4.58 149 149 A 36 GLY H A 35 ARG HA 1.0 1.8 3.18 150 150 A 37 PHE H A 39 ARG H 1.0 1.8 4.40 151 151 A 37 PHE H A 37 PHE HDx 1.0 1.8 5.46 152 152 A 37 PHE H A 37 PHE HDy 1.0 1.8 5.50 153 153 A 37 PHE H A 36 GLY HAy 1.0 1.8 3.52 154 154 A 37 PHE H A 36 GLY HAx 1.0 1.8 3.52 155 155 A 37 PHE H A 37 PHE HBy 1.0 1.8 3.65 156 156 A 37 PHE H A 37 PHE HBx 1.0 1.8 3.65 157 157 A 38 ARG H A 38 ARG HGx 1.0 1.8 4.64 158 158 A 38 ARG H A 38 ARG HGy 1.0 1.8 4.64 159 159 A 39 ARG H A 38 ARG H 1.0 1.8 4.63 160 160 A 40 ARG H A 40 ARG HGx 1.0 1.8 5.50 161 161 A 40 ARG H A 40 ARG HGy 1.0 1.8 5.50 162 162 A 40 ARG HA A 41 CYS H 1.0 1.8 3.50 163 163 A 41 CYS H A 41 CYS HBy 1.0 1.8 4.14 164 164 A 41 CYS H A 40 ARG HGx 1.0 1.8 4.48 165 165 A 41 CYS H A 40 ARG HGy 1.0 1.8 4.48 166 166 A 41 CYS H A 41 CYS HBx 1.0 1.8 4.14 167 167 A 42 PHE H A 42 PHE HDy 1.0 1.8 4.27 168 168 A 42 PHE H A 34 CYS HA 1.0 1.8 4.20 169 169 A 42 PHE H A 41 CYS HA 1.0 1.8 3.27 170 170 A 42 PHE H A 42 PHE HBy 1.0 1.8 3.76 171 171 A 42 PHE HBx A 42 PHE H 1.0 1.8 4.08 172 172 A 42 PHE HBx A 43 CYS H 1.0 1.8 4.44 173 173 A 6 GLN HA A 43 CYS H 1.0 1.8 4.49 174 174 A 42 PHE HA A 43 CYS H 1.0 1.8 3.39 175 175 A 44 THR H A 43 CYS HA 1.0 1.8 3.30 176 176 A 44 THR H A 32 GLY HAy 1.0 1.8 4.16 177 177 A 32 GLY HAx A 44 THR H 1.0 1.8 5.40 178 178 A 44 THR H A 44 THR HB 1.0 1.8 3.96 179 179 A 44 THR H A 43 CYS HBy 1.0 1.8 4.60 180 180 A 44 THR H A 43 CYS HBx 1.0 1.8 4.60 181 181 A 44 THR HG2% A 44 THR H 1.0 1.8 3.80 182 182 A 45 THR HG2% A 45 THR H 1.0 1.8 3.11 183 183 A 2 THR HG2% A 45 THR H 1.0 1.8 4.22 184 184 A 45 THR H A 44 THR HB 1.0 1.8 3.65 185 185 A 45 THR H A 45 THR HB 1.0 1.8 4.11 186 186 A 44 THR HA A 45 THR H 1.0 1.8 2.89 187 187 A 4 GLU HA A 45 THR H 1.0 1.8 3.93 188 188 A 3 CYS H A 45 THR H 1.0 1.8 4.06 189 189 A 45 THR HG2% A 46 HIS H 1.0 1.8 4.16 190 190 A 45 THR HB A 46 HIS H 1.0 1.8 4.00 191 191 A 47 CYS H A 46 HIS HBx 1.0 1.8 5.33 192 192 A 47 CYS H A 46 HIS HBy 1.0 1.8 5.33 193 193 A 47 CYS H A 46 HIS HA 1.0 1.8 3.03 194 194 A 21 ALA HB% A 25 GLN HE2y 1.0 1.8 4.66 195 195 A 21 ALA HB% A 25 GLN HE2x 1.0 1.8 4.66 196 196 A 6 GLN HE2y A 40 ARG HGx 1.0 1.8 4.61 197 197 A 6 GLN HE2y A 40 ARG HGy 1.0 1.8 4.61 198 198 A 6 GLN HE2x A 40 ARG HGx 1.0 1.8 4.61 199 199 A 6 GLN HE2x A 40 ARG HGy 1.0 1.8 4.61 200 200 A 2 THR HG2% A 44 THR HA 1.0 1.8 4.89 201 201 A 2 THR HG2% A 3 CYS HA 1.0 1.8 5.01 202 202 A 2 THR HG2% A 44 THR HB 1.0 1.8 3.68 203 203 A 44 THR HA A 4 GLU HA 1.0 1.8 3.47 204 204 A 43 CYS HA A 32 GLY HAy 1.0 1.8 4.42 205 205 A 10 PHE HA A 23 VAL HGx% 1.0 1.8 4.77 206 206 A 10 PHE HA A 23 VAL HGy% 1.0 1.8 4.77 207 207 A 12 GLY HAy A 13 PRO HDy 1.0 1.8 4.02 208 208 A 12 GLY HAy A 13 PRO HDx 1.0 1.8 4.02 209 209 A 12 GLY HAx A 13 PRO HDx 1.0 1.8 4.02 210 210 A 13 PRO HDy A 12 GLY HAx 1.0 1.8 4.02 211 211 A 42 PHE HA A 6 GLN HA 1.0 1.8 3.07 212 212 A 18 HIS HBx A 21 ALA HB% 1.0 1.8 5.29 213 213 A 18 HIS HBx A 19 ASN HA 1.0 1.8 4.03 214 214 A 21 ALA HA A 24 CYS HBx 1.0 1.8 4.36 215 215 A 21 ALA HA A 24 CYS HBy 1.0 1.8 4.36 216 216 A 21 ALA HB% A 22 SER HBy 1.0 1.8 4.24 217 217 A 21 ALA HB% A 22 SER HA 1.0 1.8 4.16 218 218 A 20 CYS HA A 23 VAL HB 1.0 1.8 4.34 219 219 A 23 VAL HA A 23 VAL HGx% 1.0 1.8 3.18 220 220 A 20 CYS HA A 23 VAL HGx% 1.0 1.8 4.86 221 221 A 20 CYS HA A 23 VAL HGy% 1.0 1.8 4.86 222 222 A 23 VAL HA A 23 VAL HGy% 1.0 1.8 3.18 223 223 A 26 THR HG2% A 26 THR HA 1.0 1.8 3.00 224 224 A 23 VAL HA A 26 THR HG2% 1.0 1.8 3.49 225 225 A 23 VAL HB A 19 ASN HA 1.0 1.8 5.50 226 226 A 22 SER HBx A 19 ASN HA 1.0 1.8 3.66 227 227 A 32 GLY HAx A 43 CYS HA 1.0 1.8 4.44 228 228 A 35 ARG HA A 35 ARG HDx 1.0 1.8 4.97 229 229 A 35 ARG HA A 35 ARG HDy 1.0 1.8 4.97 230 230 A 45 THR HG2% A 3 CYS HBx 1.0 1.8 4.23 231 231 A 45 THR HG2% A 3 CYS HBy 1.0 1.8 4.23 232 232 A 44 THR HG2% A 44 THR HA 1.0 1.8 3.21 233 233 A 44 THR HG2% A 4 GLU HA 1.0 1.8 3.86 234 234 A 45 THR HG2% A 4 GLU HA 1.0 1.8 4.38 235 235 A 34 CYS HA A 41 CYS HA 1.0 1.8 4.19 236 236 A 44 THR HA A 45 THR HB 1.0 1.8 4.96 237 237 A 32 GLY HAx A 21 ALA HA 1.0 1.8 4.76 238 238 A 10 PHE HBx A 41 CYS HBx 1.0 1.8 4.73 239 239 A 10 PHE HBx A 41 CYS HBy 1.0 1.8 4.73 240 240 A 9 LYS HA A 9 LYS HDx 1.0 1.8 5.04 241 241 A 9 LYS HA A 9 LYS HDy 1.0 1.8 5.04 242 242 A 18 HIS HA A 21 ALA HB% 1.0 1.8 3.37 243 243 A 32 GLY HAx A 21 ALA HB% 1.0 1.8 3.69 244 244 A 22 SER HA A 26 THR HG2% 1.0 1.8 4.63 245 245 A 42 PHE HBx A 6 GLN HBy 1.0 1.8 5.50 246 246 A 5 SER HA A 42 PHE HEx 1.0 1.8 5.50 247 247 A 40 ARG HA A 42 PHE HEy 1.0 1.8 5.50 248 248 A 42 PHE HDy A 41 CYS HA 1.0 1.8 4.92 249 249 A 42 PHE HDx A 42 PHE HA 1.0 1.8 4.21 250 250 A 42 PHE HA A 42 PHE HDy 1.0 1.8 4.55 251 251 A 42 PHE HA A 42 PHE HEx 1.0 1.8 5.50 252 252 A 42 PHE HA A 42 PHE HEy 1.0 1.8 5.50 253 253 A 42 PHE HDx A 6 GLN HA 1.0 1.8 4.41 254 254 A 42 PHE HDy A 42 PHE HBy 1.0 1.8 3.62 255 255 A 42 PHE HBx A 42 PHE HDx 1.0 1.8 3.45 256 256 A 42 PHE HDx A 4 GLU HGx 1.0 1.8 5.50 257 257 A 42 PHE HBx A 42 PHE HEx 1.0 1.8 5.28 258 258 A 42 PHE HEy A 40 ARG HDx 1.0 1.8 5.50 259 259 A 42 PHE HEy A 40 ARG HDy 1.0 1.8 5.50 260 260 A 6 GLN HA A 42 PHE HEx 1.0 1.8 5.33 261 261 A 42 PHE HDx A 5 SER HA 1.0 1.8 4.63 262 262 A 42 PHE HDx A 4 GLU HGy 1.0 1.8 5.50 263 263 A 42 PHE HDy A 35 ARG HGy 1.0 1.8 5.50 264 264 A 42 PHE HDy A 35 ARG HGx 1.0 1.8 5.50 265 265 A 6 GLN HBy A 42 PHE HEx 1.0 1.8 4.48 266 266 A 10 PHE HBy A 10 PHE HDy 1.0 1.8 3.49 267 267 A 10 PHE HBx A 10 PHE HDx 1.0 1.8 3.64 268 268 A 10 PHE HDy A 10 PHE HA 1.0 1.8 3.86 269 269 A 10 PHE HDx A 11 LYS HA 1.0 1.8 5.44 270 270 A 18 HIS HBx A 20 CYS H 1.0 1.8 5.50 271 271 A 14 CYS HA A 10 PHE HEx 1.0 1.8 4.06 272 272 A 10 PHE HEy A 20 CYS HA 1.0 1.8 3.81 273 273 A 10 PHE HDy A 20 CYS HA 1.0 1.8 3.65 274 274 A 14 CYS HA A 10 PHE HZ 1.0 1.8 4.50 275 275 A 10 PHE HDy A 23 VAL HB 1.0 1.8 3.58 276 276 A 10 PHE HDy A 23 VAL HGx% 1.0 1.8 3.40 277 277 A 37 PHE HDx A 37 PHE HA 1.0 1.8 4.67 278 278 A 37 PHE HDy A 37 PHE HA 1.0 1.8 4.96 279 279 A 10 PHE HDy A 23 VAL HGy% 1.0 1.8 3.40 280 280 A 3 CYS H A 3 CYS HBx 1.0 1.8 3.64 281 280 A 3 CYS H A 3 CYS HBy 1.0 1.8 3.64 282 281 A 4 GLU H A 3 CYS HBx 1.0 1.8 4.06 283 281 A 4 GLU H A 3 CYS HBy 1.0 1.8 4.06 284 282 A 45 THR HG2% A 3 CYS HBx 1.0 1.8 3.69 285 282 A 45 THR HG2% A 3 CYS HBy 1.0 1.8 3.69 286 283 A 47 CYS HA A 3 CYS HBx 1.0 1.8 4.68 287 283 A 3 CYS HBy A 47 CYS HA 1.0 1.8 4.68 288 284 A 4 GLU H A 4 GLU HBx 1.0 1.8 3.45 289 284 A 4 GLU H A 4 GLU HBy 1.0 1.8 3.45 290 285 A 4 GLU H A 4 GLU HGx 1.0 1.8 4.23 291 285 A 4 GLU H A 4 GLU HGy 1.0 1.8 4.23 292 286 A 5 SER H A 4 GLU HBx 1.0 1.8 3.69 293 286 A 5 SER H A 4 GLU HBy 1.0 1.8 3.69 294 287 A 42 PHE HBx A 4 GLU HBx 1.0 1.8 4.12 295 287 A 42 PHE HBx A 4 GLU HBy 1.0 1.8 4.12 296 288 A 42 PHE HDx A 4 GLU HBx 1.0 1.8 4.37 297 288 A 42 PHE HDx A 4 GLU HBy 1.0 1.8 4.37 298 289 A 5 SER H A 4 GLU HGx 1.0 1.8 4.36 299 289 A 5 SER H A 4 GLU HGy 1.0 1.8 4.36 300 290 A 6 GLN H A 5 SER HBy 1.0 1.8 3.75 301 290 A 6 GLN H A 5 SER HBx 1.0 1.8 3.75 302 291 A 6 GLN H A 6 GLN HGy 1.0 1.8 4.82 303 291 A 6 GLN H A 6 GLN HGx 1.0 1.8 4.82 304 292 A 6 GLN HBx A 6 GLN HE2y 1.0 1.8 4.43 305 292 A 6 GLN HBx A 6 GLN HE2x 1.0 1.8 4.43 306 293 A 6 GLN HE2y A 6 GLN HGx 1.0 1.8 3.22 307 293 A 6 GLN HE2y A 6 GLN HGy 1.0 1.8 3.22 308 293 A 6 GLN HE2x A 6 GLN HGx 1.0 1.8 3.22 309 293 A 6 GLN HE2x A 6 GLN HGy 1.0 1.8 3.22 310 294 A 7 SER H A 6 GLN HGy 1.0 1.8 3.88 311 294 A 7 SER H A 6 GLN HGx 1.0 1.8 3.88 312 295 A 6 GLN HE2y A 40 ARG HGx 1.0 1.8 3.33 313 295 A 6 GLN HE2y A 40 ARG HGy 1.0 1.8 3.33 314 295 A 6 GLN HE2x A 40 ARG HGx 1.0 1.8 3.33 315 295 A 6 GLN HE2x A 40 ARG HGy 1.0 1.8 3.33 316 296 A 7 SER H A 7 SER HBy 1.0 1.8 3.27 317 296 A 7 SER H A 7 SER HBx 1.0 1.8 3.27 318 297 A 10 PHE H A 7 SER HBy 1.0 1.8 3.95 319 297 A 10 PHE H A 7 SER HBx 1.0 1.8 3.95 320 298 A 10 PHE HBy A 7 SER HBy 1.0 1.8 4.55 321 298 A 10 PHE HBy A 7 SER HBx 1.0 1.8 4.55 322 299 A 10 PHE HBx A 7 SER HBy 1.0 1.8 4.58 323 299 A 10 PHE HBx A 7 SER HBx 1.0 1.8 4.58 324 300 A 7 SER HBx A 41 CYS HBx 1.0 1.8 4.49 325 300 A 7 SER HBy A 41 CYS HBx 1.0 1.8 4.49 326 300 A 41 CYS HBy A 7 SER HBy 1.0 1.8 4.49 327 300 A 7 SER HBx A 41 CYS HBy 1.0 1.8 4.49 328 301 A 8 HIS H A 8 HIS HBy 1.0 1.8 3.69 329 301 A 8 HIS H A 8 HIS HBx 1.0 1.8 3.69 330 302 A 9 LYS H A 9 LYS HBx 1.0 1.8 3.50 331 302 A 9 LYS H A 9 LYS HBy 1.0 1.8 3.50 332 303 A 9 LYS HA A 9 LYS HGx 1.0 1.8 3.73 333 303 A 9 LYS HA A 9 LYS HGy 1.0 1.8 3.73 334 304 A 9 LYS HA A 9 LYS HDy 1.0 1.8 4.30 335 304 A 9 LYS HA A 9 LYS HDx 1.0 1.8 4.30 336 305 A 10 PHE H A 9 LYS HBx 1.0 1.8 3.68 337 305 A 10 PHE H A 9 LYS HBy 1.0 1.8 3.68 338 306 A 10 PHE HBy A 9 LYS HBx 1.0 1.8 4.30 339 306 A 10 PHE HBy A 9 LYS HBy 1.0 1.8 4.30 340 307 A 9 LYS HBx A 23 VAL HGy% 1.0 1.8 3.48 341 307 A 9 LYS HBy A 23 VAL HGy% 1.0 1.8 3.48 342 307 A 23 VAL HGx% A 9 LYS HBx 1.0 1.8 3.48 343 307 A 9 LYS HBy A 23 VAL HGx% 1.0 1.8 3.48 344 308 A 10 PHE H A 23 VAL HGy% 1.0 1.8 4.05 345 308 A 10 PHE H A 23 VAL HGx% 1.0 1.8 4.05 346 309 A 10 PHE HA A 23 VAL HGy% 1.0 1.8 3.76 347 309 A 10 PHE HA A 23 VAL HGx% 1.0 1.8 3.76 348 310 A 10 PHE HBy A 23 VAL HGy% 1.0 1.8 3.92 349 310 A 10 PHE HBy A 23 VAL HGx% 1.0 1.8 3.92 350 311 A 10 PHE HBy A 41 CYS HBx 1.0 1.8 5.28 351 311 A 10 PHE HBy A 41 CYS HBy 1.0 1.8 5.28 352 312 A 10 PHE HBx A 41 CYS HBx 1.0 1.8 4.10 353 312 A 10 PHE HBx A 41 CYS HBy 1.0 1.8 4.10 354 313 A 10 PHE HDx A 41 CYS HBx 1.0 1.8 4.99 355 313 A 10 PHE HDx A 41 CYS HBy 1.0 1.8 4.99 356 314 A 10 PHE HEx A 14 CYS HBy 1.0 1.8 5.02 357 314 A 10 PHE HEx A 14 CYS HBx 1.0 1.8 5.02 358 315 A 10 PHE HEx A 20 CYS HBx 1.0 1.8 5.34 359 315 A 10 PHE HEx A 20 CYS HBy 1.0 1.8 5.34 360 316 A 10 PHE HZ A 19 ASN HBy 1.0 1.8 5.34 361 316 A 10 PHE HZ A 19 ASN HBx 1.0 1.8 5.34 362 317 A 10 PHE HEy A 19 ASN HBy 1.0 1.8 4.20 363 317 A 10 PHE HEy A 19 ASN HBx 1.0 1.8 4.20 364 318 A 10 PHE HEy A 20 CYS HBx 1.0 1.8 5.34 365 318 A 10 PHE HEy A 20 CYS HBy 1.0 1.8 5.34 366 319 A 10 PHE HEy A 23 VAL HGy% 1.0 1.8 3.32 367 319 A 10 PHE HEy A 23 VAL HGx% 1.0 1.8 3.32 368 320 A 10 PHE HDy A 23 VAL HGy% 1.0 1.8 2.97 369 320 A 10 PHE HDy A 23 VAL HGx% 1.0 1.8 2.97 370 321 A 11 LYS H A 11 LYS HBx 1.0 1.8 3.55 371 321 A 11 LYS H A 11 LYS HBy 1.0 1.8 3.55 372 322 A 11 LYS H A 11 LYS HGx 1.0 1.8 4.74 373 322 A 11 LYS H A 11 LYS HGy 1.0 1.8 4.74 374 323 A 12 GLY H A 11 LYS HBx 1.0 1.8 3.83 375 323 A 12 GLY H A 11 LYS HBy 1.0 1.8 3.83 376 324 A 12 GLY HAx A 13 PRO HDx 1.0 1.8 3.04 377 324 A 12 GLY HAy A 13 PRO HDx 1.0 1.8 3.04 378 324 A 13 PRO HDy A 12 GLY HAx 1.0 1.8 3.04 379 324 A 12 GLY HAy A 13 PRO HDy 1.0 1.8 3.04 380 325 A 15 ALA HA A 14 CYS HBy 1.0 1.8 5.16 381 325 A 14 CYS HBx A 15 ALA HA 1.0 1.8 5.16 382 326 A 16 SER H A 16 SER HBx 1.0 1.8 3.23 383 326 A 16 SER H A 16 SER HBy 1.0 1.8 3.23 384 327 A 16 SER H A 19 ASN HBy 1.0 1.8 4.34 385 327 A 16 SER H A 19 ASN HBx 1.0 1.8 4.34 386 328 A 17 ASP H A 16 SER HBx 1.0 1.8 4.08 387 328 A 17 ASP H A 16 SER HBy 1.0 1.8 4.08 388 329 A 18 HIS HBx A 16 SER HBx 1.0 1.8 4.26 389 329 A 18 HIS HBx A 16 SER HBy 1.0 1.8 4.26 390 330 A 19 ASN H A 16 SER HBx 1.0 1.8 3.76 391 330 A 19 ASN H A 16 SER HBy 1.0 1.8 3.76 392 331 A 16 SER HBx A 19 ASN HBy 1.0 1.8 3.83 393 331 A 16 SER HBy A 19 ASN HBy 1.0 1.8 3.83 394 331 A 19 ASN HBx A 16 SER HBx 1.0 1.8 3.83 395 331 A 19 ASN HBx A 16 SER HBy 1.0 1.8 3.83 396 332 A 16 SER HBy A 19 ASN HD2x 1.0 1.8 4.30 397 332 A 16 SER HBx A 19 ASN HD2x 1.0 1.8 4.30 398 332 A 19 ASN HD2y A 16 SER HBx 1.0 1.8 4.30 399 332 A 16 SER HBy A 19 ASN HD2y 1.0 1.8 4.30 400 333 A 17 ASP H A 17 ASP HBx 1.0 1.8 3.07 401 333 A 17 ASP H A 17 ASP HBy 1.0 1.8 3.07 402 334 A 17 ASP HA A 20 CYS HBx 1.0 1.8 4.12 403 334 A 17 ASP HA A 20 CYS HBy 1.0 1.8 4.12 404 335 A 18 HIS HA A 17 ASP HBx 1.0 1.8 4.24 405 335 A 18 HIS HA A 17 ASP HBy 1.0 1.8 4.24 406 336 A 19 ASN H A 19 ASN HBy 1.0 1.8 3.43 407 336 A 19 ASN H A 19 ASN HBx 1.0 1.8 3.43 408 337 A 19 ASN HA A 19 ASN HD2x 1.0 1.8 4.44 409 337 A 19 ASN HA A 19 ASN HD2y 1.0 1.8 4.44 410 338 A 20 CYS HA A 23 VAL HGy% 1.0 1.8 4.11 411 338 A 20 CYS HA A 23 VAL HGx% 1.0 1.8 4.11 412 339 A 21 ALA H A 20 CYS HBx 1.0 1.8 3.33 413 339 A 21 ALA H A 20 CYS HBy 1.0 1.8 3.33 414 340 A 21 ALA HA A 24 CYS HBx 1.0 1.8 3.56 415 340 A 21 ALA HA A 24 CYS HBy 1.0 1.8 3.56 416 341 A 21 ALA HB% A 25 GLN HE2y 1.0 1.8 4.07 417 341 A 21 ALA HB% A 25 GLN HE2x 1.0 1.8 4.07 418 342 A 22 SER HBy A 23 VAL HGy% 1.0 1.8 5.25 419 342 A 22 SER HBy A 23 VAL HGx% 1.0 1.8 5.25 420 343 A 22 SER HBx A 23 VAL HGy% 1.0 1.8 4.21 421 343 A 22 SER HBx A 23 VAL HGx% 1.0 1.8 4.21 422 344 A 23 VAL H A 23 VAL HGy% 1.0 1.8 2.99 423 344 A 23 VAL H A 23 VAL HGx% 1.0 1.8 2.99 424 345 A 23 VAL HA A 23 VAL HGy% 1.0 1.8 2.76 425 345 A 23 VAL HA A 23 VAL HGx% 1.0 1.8 2.76 426 346 A 24 CYS H A 23 VAL HGy% 1.0 1.8 3.73 427 346 A 24 CYS H A 23 VAL HGx% 1.0 1.8 3.73 428 347 A 24 CYS H A 24 CYS HBx 1.0 1.8 3.37 429 347 A 24 CYS H A 24 CYS HBy 1.0 1.8 3.37 430 348 A 24 CYS HA A 27 GLU HBx 1.0 1.8 4.71 431 348 A 24 CYS HA A 27 GLU HBy 1.0 1.8 4.71 432 349 A 24 CYS HA A 27 GLU HGx 1.0 1.8 4.94 433 349 A 24 CYS HA A 27 GLU HGy 1.0 1.8 4.94 434 350 A 25 GLN H A 24 CYS HBx 1.0 1.8 3.93 435 350 A 25 GLN H A 24 CYS HBy 1.0 1.8 3.93 436 351 A 32 GLY HAy A 24 CYS HBx 1.0 1.8 5.34 437 351 A 32 GLY HAy A 24 CYS HBy 1.0 1.8 5.34 438 352 A 32 GLY HAx A 24 CYS HBx 1.0 1.8 4.19 439 352 A 32 GLY HAx A 24 CYS HBy 1.0 1.8 4.19 440 353 A 25 GLN H A 25 GLN HGy 1.0 1.8 3.51 441 353 A 25 GLN H A 25 GLN HGx 1.0 1.8 3.51 442 354 A 26 THR H A 25 GLN HGy 1.0 1.8 4.73 443 354 A 26 THR H A 25 GLN HGx 1.0 1.8 4.73 444 355 A 25 GLN HGx A 31 GLY HAy 1.0 1.8 4.01 445 355 A 31 GLY HAx A 25 GLN HGy 1.0 1.8 4.01 446 355 A 25 GLN HGx A 31 GLY HAx 1.0 1.8 4.01 447 355 A 25 GLN HGy A 31 GLY HAy 1.0 1.8 4.01 448 356 A 25 GLN HE2y A 31 GLY HAy 1.0 1.8 3.88 449 356 A 25 GLN HE2y A 31 GLY HAx 1.0 1.8 3.88 450 356 A 25 GLN HE2x A 31 GLY HAx 1.0 1.8 3.88 451 356 A 25 GLN HE2x A 31 GLY HAy 1.0 1.8 3.88 452 357 A 26 THR H A 27 GLU HGx 1.0 1.8 4.72 453 357 A 26 THR H A 27 GLU HGy 1.0 1.8 4.72 454 358 A 27 GLU H A 27 GLU HBx 1.0 1.8 3.28 455 358 A 27 GLU H A 27 GLU HBy 1.0 1.8 3.28 456 359 A 27 GLU H A 27 GLU HGx 1.0 1.8 3.27 457 359 A 27 GLU H A 27 GLU HGy 1.0 1.8 3.27 458 360 A 28 ARG H A 28 ARG HGy 1.0 1.8 4.80 459 360 A 28 ARG H A 28 ARG HGx 1.0 1.8 4.80 460 361 A 28 ARG HA A 28 ARG HGy 1.0 1.8 3.58 461 361 A 28 ARG HA A 28 ARG HGx 1.0 1.8 3.58 462 362 A 28 ARG HA A 28 ARG HDx 1.0 1.8 5.12 463 362 A 28 ARG HA A 28 ARG HDy 1.0 1.8 5.12 464 363 A 29 PHE H A 29 PHE HBy 1.0 1.8 3.47 465 363 A 29 PHE H A 29 PHE HBx 1.0 1.8 3.47 466 364 A 30 SER H A 29 PHE HBy 1.0 1.8 3.81 467 364 A 30 SER H A 29 PHE HBx 1.0 1.8 3.81 468 365 A 30 SER H A 30 SER HBx 1.0 1.8 3.55 469 365 A 30 SER H A 30 SER HBy 1.0 1.8 3.55 470 366 A 33 ARG H A 33 ARG HGy 1.0 1.8 4.59 471 366 A 33 ARG H A 33 ARG HGx 1.0 1.8 4.59 472 367 A 33 ARG HA A 33 ARG HGy 1.0 1.8 3.69 473 367 A 33 ARG HA A 33 ARG HGx 1.0 1.8 3.69 474 368 A 33 ARG HA A 34 CYS HBx 1.0 1.8 5.34 475 368 A 33 ARG HA A 34 CYS HBy 1.0 1.8 5.34 476 369 A 33 ARG HBy A 33 ARG HDx 1.0 1.8 3.29 477 369 A 33 ARG HDy A 33 ARG HBx 1.0 1.8 3.29 478 369 A 33 ARG HBy A 33 ARG HDy 1.0 1.8 3.29 479 369 A 33 ARG HBx A 33 ARG HDx 1.0 1.8 3.29 480 370 A 34 CYS H A 34 CYS HBx 1.0 1.8 3.52 481 370 A 34 CYS H A 34 CYS HBy 1.0 1.8 3.52 482 371 A 35 ARG HA A 35 ARG HDx 1.0 1.8 4.36 483 371 A 35 ARG HA A 35 ARG HDy 1.0 1.8 4.36 484 372 A 36 GLY H A 35 ARG HBx 1.0 1.8 3.81 485 372 A 36 GLY H A 35 ARG HBy 1.0 1.8 3.81 486 373 A 42 PHE HEy A 35 ARG HBx 1.0 1.8 4.88 487 373 A 42 PHE HEy A 35 ARG HBy 1.0 1.8 4.88 488 374 A 42 PHE HDy A 35 ARG HBx 1.0 1.8 3.80 489 374 A 42 PHE HDy A 35 ARG HBy 1.0 1.8 3.80 490 375 A 36 GLY H A 35 ARG HGx 1.0 1.8 4.57 491 375 A 36 GLY H A 35 ARG HGy 1.0 1.8 4.57 492 376 A 42 PHE HDy A 35 ARG HGx 1.0 1.8 4.78 493 376 A 42 PHE HDy A 35 ARG HGy 1.0 1.8 4.78 494 377 A 37 PHE H A 36 GLY HAx 1.0 1.8 2.99 495 377 A 37 PHE H A 36 GLY HAy 1.0 1.8 2.99 496 378 A 37 PHE H A 37 PHE HBy 1.0 1.8 3.12 497 378 A 37 PHE H A 37 PHE HBx 1.0 1.8 3.12 498 379 A 38 ARG H A 38 ARG HGx 1.0 1.8 4.07 499 379 A 38 ARG H A 38 ARG HGy 1.0 1.8 4.07 500 380 A 40 ARG HA A 40 ARG HGy 1.0 1.8 3.46 501 380 A 40 ARG HA A 40 ARG HGx 1.0 1.8 3.46 502 381 A 40 ARG HA A 40 ARG HDy 1.0 1.8 3.65 503 381 A 40 ARG HA A 40 ARG HDx 1.0 1.8 3.65 504 382 A 42 PHE HEy A 40 ARG HBx 1.0 1.8 3.55 505 382 A 42 PHE HEy A 40 ARG HBy 1.0 1.8 3.55 506 383 A 42 PHE HDy A 40 ARG HBx 1.0 1.8 4.00 507 383 A 42 PHE HDy A 40 ARG HBy 1.0 1.8 4.00 508 384 A 41 CYS H A 40 ARG HGy 1.0 1.8 3.93 509 384 A 41 CYS H A 40 ARG HGx 1.0 1.8 3.93 510 385 A 42 PHE HEy A 40 ARG HGy 1.0 1.8 4.55 511 385 A 42 PHE HEy A 40 ARG HGx 1.0 1.8 4.55 512 386 A 42 PHE H A 41 CYS HBx 1.0 1.8 4.46 513 386 A 42 PHE H A 41 CYS HBy 1.0 1.8 4.46 514 387 A 42 PHE HDy A 41 CYS HBx 1.0 1.8 5.34 515 387 A 42 PHE HDy A 41 CYS HBy 1.0 1.8 5.34 516 388 A 44 THR H A 43 CYS HBx 1.0 1.8 3.92 517 388 A 44 THR H A 43 CYS HBy 1.0 1.8 3.92 518 389 A 46 HIS H A 46 HIS HBy 1.0 1.8 3.62 519 389 A 46 HIS H A 46 HIS HBx 1.0 1.8 3.62 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 20 CYS H A 16 SER O 1.0 1.8 2.0 2 2 A 16 SER O A 20 CYS N 1.0 2.7 3.0 3 3 A 21 ALA H A 17 ASP O 1.0 1.8 2.0 4 4 A 17 ASP O A 21 ALA N 1.0 2.7 3.0 5 5 A 22 SER H A 18 HIS O 1.0 1.8 2.0 6 6 A 18 HIS O A 22 SER N 1.0 2.7 3.0 7 7 A 23 VAL H A 19 ASN O 1.0 1.8 2.0 8 8 A 19 ASN O A 23 VAL N 1.0 2.7 3.0 9 9 A 24 CYS H A 20 CYS O 1.0 1.8 2.0 10 10 A 20 CYS O A 24 CYS N 1.0 2.7 3.0 11 11 A 25 GLN H A 21 ALA O 1.0 1.8 2.0 12 12 A 21 ALA O A 25 GLN N 1.0 2.7 3.0 13 13 A 26 THR H A 22 SER O 1.0 1.8 2.0 14 14 A 22 SER O A 26 THR N 1.0 2.7 3.0 15 15 A 27 GLU H A 23 VAL O 1.0 1.8 2.0 16 16 A 23 VAL O A 27 GLU N 1.0 2.7 3.0 17 17 A 5 SER H A 43 CYS O 1.0 1.8 2.0 18 18 A 43 CYS O A 5 SER N 1.0 2.7 3.0 19 19 A 43 CYS H A 5 SER O 1.0 1.8 2.0 20 20 A 5 SER O A 43 CYS N 1.0 2.7 3.0 21 21 A 7 SER H A 41 CYS O 1.0 1.8 2.0 22 22 A 41 CYS O A 7 SER N 1.0 2.7 3.0 23 23 A 45 THR H A 3 CYS O 1.0 1.8 2.0 24 24 A 3 CYS O A 45 THR N 1.0 2.7 3.0 25 25 A 44 THR H A 31 GLY O 1.0 1.8 2.0 26 26 A 31 GLY O A 44 THR N 1.0 2.7 3.0 27 27 A 31 GLY H A 44 THR O 1.0 1.8 2.0 28 28 A 44 THR O A 31 GLY N 1.0 2.7 3.0 29 29 A 42 PHE H A 33 ARG O 1.0 1.8 2.0 30 30 A 33 ARG O A 42 PHE N 1.0 2.7 3.0 31 31 A 33 ARG H A 42 PHE O 1.0 1.8 2.0 32 32 A 42 PHE O A 33 ARG N 1.0 2.7 3.0 33 33 A 35 ARG H A 40 ARG O 1.0 1.8 2.0 34 34 A 40 ARG O A 35 ARG N 1.0 2.7 3.0 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 _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 2 THR C A 3 CYS N A 3 CYS CA A 3 CYS C 1.0 -165.0 -115.0 PHI 2 2 A 3 CYS N A 3 CYS CA A 3 CYS C A 4 GLU N 1.0 100.0 180.0 PSI 3 3 A 3 CYS C A 4 GLU N A 4 GLU CA A 4 GLU C 1.0 -165.0 -115.0 PHI 4 4 A 4 GLU N A 4 GLU CA A 4 GLU C A 5 SER N 1.0 100.0 180.0 PSI 5 5 A 5 SER C A 6 GLN N A 6 GLN CA A 6 GLN C 1.0 -165.0 -115.0 PHI 6 6 A 6 GLN N A 6 GLN CA A 6 GLN C A 7 SER N 1.0 100.0 180.0 PSI 7 7 A 6 GLN C A 7 SER N A 7 SER CA A 7 SER C 1.0 -165.0 -115.0 PHI 8 8 A 7 SER N A 7 SER CA A 7 SER C A 8 HIS N 1.0 100.0 180.0 PSI 9 9 A 16 SER C A 17 ASP N A 17 ASP CA A 17 ASP C 1.0 -90.0 -30.0 PHI 10 10 A 17 ASP N A 17 ASP CA A 17 ASP C A 18 HIS N 1.0 -80.0 -20.0 PSI 11 11 A 17 ASP C A 18 HIS N A 18 HIS CA A 18 HIS C 1.0 -90.0 -30.0 PHI 12 12 A 18 HIS N A 18 HIS CA A 18 HIS C A 19 ASN N 1.0 -80.0 -20.0 PSI 13 13 A 18 HIS C A 19 ASN N A 19 ASN CA A 19 ASN C 1.0 -90.0 -30.0 PHI 14 14 A 19 ASN N A 19 ASN CA A 19 ASN C A 20 CYS N 1.0 -80.0 -20.0 PSI 15 15 A 19 ASN C A 20 CYS N A 20 CYS CA A 20 CYS C 1.0 -90.0 -30.0 PHI 16 16 A 20 CYS N A 20 CYS CA A 20 CYS C A 21 ALA N 1.0 -80.0 -20.0 PSI 17 17 A 20 CYS C A 21 ALA N A 21 ALA CA A 21 ALA C 1.0 -90.0 -30.0 PHI 18 18 A 21 ALA N A 21 ALA CA A 21 ALA C A 22 SER N 1.0 -80.0 -20.0 PSI 19 19 A 21 ALA C A 22 SER N A 22 SER CA A 22 SER C 1.0 -90.0 -30.0 PHI 20 20 A 22 SER N A 22 SER CA A 22 SER C A 23 VAL N 1.0 -80.0 -20.0 PSI 21 21 A 22 SER C A 23 VAL N A 23 VAL CA A 23 VAL C 1.0 -90.0 -30.0 PHI 22 22 A 23 VAL N A 23 VAL CA A 23 VAL C A 24 CYS N 1.0 -80.0 -20.0 PSI 23 23 A 23 VAL C A 24 CYS N A 24 CYS CA A 24 CYS C 1.0 -90.0 -30.0 PHI 24 24 A 24 CYS N A 24 CYS CA A 24 CYS C A 25 GLN N 1.0 -80.0 -20.0 PSI 25 25 A 24 CYS C A 25 GLN N A 25 GLN CA A 25 GLN C 1.0 -90.0 -30.0 PHI 26 26 A 25 GLN N A 25 GLN CA A 25 GLN C A 26 THR N 1.0 -80.0 -20.0 PSI 27 27 A 25 GLN C A 26 THR N A 26 THR CA A 26 THR C 1.0 -90.0 -30.0 PHI 28 28 A 26 THR N A 26 THR CA A 26 THR C A 27 GLU N 1.0 -80.0 -20.0 PSI 29 29 A 26 THR C A 27 GLU N A 27 GLU CA A 27 GLU C 1.0 -90.0 -30.0 PHI 30 30 A 27 GLU N A 27 GLU CA A 27 GLU C A 28 ARG N 1.0 -80.0 -20.0 PSI 31 31 A 31 GLY C A 32 GLY N A 32 GLY CA A 32 GLY C 1.0 -165.0 -115.0 PHI 32 32 A 32 GLY N A 32 GLY CA A 32 GLY C A 33 ARG N 1.0 100.0 180.0 PSI 33 33 A 32 GLY C A 33 ARG N A 33 ARG CA A 33 ARG C 1.0 -165.0 -115.0 PHI 34 34 A 33 ARG N A 33 ARG CA A 33 ARG C A 34 CYS N 1.0 100.0 180.0 PSI 35 35 A 33 ARG C A 34 CYS N A 34 CYS CA A 34 CYS C 1.0 -165.0 -115.0 PHI 36 36 A 34 CYS N A 34 CYS CA A 34 CYS C A 35 ARG N 1.0 100.0 180.0 PSI 37 37 A 41 CYS C A 42 PHE N A 42 PHE CA A 42 PHE C 1.0 -165.0 -115.0 PHI 38 38 A 42 PHE N A 42 PHE CA A 42 PHE C A 43 CYS N 1.0 100.0 180.0 PSI 39 39 A 42 PHE C A 43 CYS N A 43 CYS CA A 43 CYS C 1.0 -165.0 -115.0 PHI 40 40 A 43 CYS N A 43 CYS CA A 43 CYS C A 44 THR N 1.0 100.0 180.0 PSI 41 41 A 43 CYS C A 44 THR N A 44 THR CA A 44 THR C 1.0 -165.0 -115.0 PHI 42 42 A 44 THR N A 44 THR CA A 44 THR C A 45 THR N 1.0 100.0 180.0 PSI 43 43 A 44 THR C A 45 THR N A 45 THR CA A 45 THR C 1.0 -165.0 -115.0 PHI 44 44 A 45 THR N A 45 THR CA A 45 THR C A 46 HIS N 1.0 100.0 180.0 PSI stop_ save_