data_nef_c25922_2n9z save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2N9Z 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 2 CYS SG 1 16 CYS SG 1 9 CYS SG 1 23 CYS SG 1 15 CYS SG 1 31 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 ASP start . . 2 A 2 CYS middle -HG . 3 A 3 ALA middle . . 4 A 4 LYS middle . . 5 A 5 GLU middle . . 6 A 6 GLY middle . false 7 A 7 GLU middle . . 8 A 8 VAL middle . . 9 A 9 CYS middle -HG . 10 A 10 SER middle . . 11 A 11 TRP middle . . 12 A 12 GLY middle . false 13 A 13 LYS middle . . 14 A 14 LYS middle . . 15 A 15 CYS middle -HG . 16 A 16 CYS middle -HG . 17 A 17 ASP middle . . 18 A 18 LEU middle . . 19 A 19 ASP middle . . 20 A 20 ASN middle . . 21 A 21 PHE middle . . 22 A 22 TYR middle . . 23 A 23 CYS middle -HG . 24 A 24 PRO middle . false 25 A 25 MET middle . . 26 A 26 GLU middle . . 27 A 27 PHE middle . . 28 A 28 ILE middle . . 29 A 29 PRO middle . false 30 A 30 HIS middle . . 31 A 31 CYS middle -HG . 32 A 32 LYS middle . . 33 A 33 LYS middle . . 34 A 34 TYR middle . . 35 A 35 LYS middle . . 36 A 36 PRO middle . false 37 A 37 TYR middle . . 38 A 38 VAL middle . . 39 A 39 PRO middle . false 40 A 40 VAL middle . . 41 A 41 THR middle . . 42 A 42 THR end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 ASP HA H 1 4.350 0.020 A 1 ASP HBx H 1 2.812 0.020 A 1 ASP HBy H 1 2.812 0.020 A 2 CYS H H 1 8.589 0.020 A 2 CYS HA H 1 5.020 0.020 A 2 CYS HB2 H 1 3.038 0.020 A 2 CYS HB3 H 1 3.216 0.020 A 3 ALA H H 1 9.173 0.020 A 3 ALA HA H 1 4.503 0.020 A 3 ALA HB% H 1 1.184 0.020 A 4 LYS H H 1 8.698 0.020 A 4 LYS HA H 1 3.898 0.020 A 4 LYS HB2 H 1 1.400 0.020 A 4 LYS HB3 H 1 1.304 0.020 A 4 LYS HDx H 1 1.479 0.020 A 4 LYS HDy H 1 1.479 0.020 A 4 LYS HEx H 1 2.987 0.020 A 4 LYS HEy H 1 2.987 0.020 A 4 LYS HGx H 1 1.850 0.020 A 4 LYS HGy H 1 1.850 0.020 A 5 GLU H H 1 7.707 0.020 A 5 GLU HA H 1 3.260 0.020 A 5 GLU HB2 H 1 1.622 0.020 A 5 GLU HB3 H 1 1.760 0.020 A 5 GLU HGx H 1 2.230 0.020 A 5 GLU HGy H 1 2.306 0.020 A 6 GLY H H 1 8.831 0.020 A 6 GLY HA2 H 1 3.625 0.020 A 6 GLY HA3 H 1 4.298 0.020 A 7 GLU H H 1 8.207 0.020 A 7 GLU HA H 1 4.570 0.020 A 7 GLU HBx H 1 2.027 0.020 A 7 GLU HBy H 1 2.027 0.020 A 7 GLU HGx H 1 2.226 0.020 A 7 GLU HGy H 1 2.226 0.020 A 8 VAL H H 1 8.256 0.020 A 8 VAL HA H 1 4.272 0.020 A 8 VAL HB H 1 1.781 0.020 A 8 VAL HGx% H 1 0.812 0.020 A 8 VAL HGy% H 1 0.743 0.020 A 9 CYS H H 1 7.738 0.020 A 9 CYS HA H 1 5.133 0.020 A 9 CYS HB2 H 1 3.198 0.020 A 9 CYS HB3 H 1 3.405 0.020 A 10 SER H H 1 8.384 0.020 A 10 SER HA H 1 4.584 0.020 A 10 SER HB2 H 1 3.823 0.020 A 10 SER HB3 H 1 3.972 0.020 A 11 TRP H H 1 8.700 0.020 A 11 TRP HA H 1 4.369 0.020 A 11 TRP HB2 H 1 3.286 0.020 A 11 TRP HB3 H 1 3.361 0.020 A 11 TRP HD1 H 1 7.294 0.020 A 11 TRP HE1 H 1 10.146 0.020 A 11 TRP HE3 H 1 7.590 0.020 A 11 TRP HH2 H 1 7.266 0.020 A 11 TRP HZ2 H 1 7.499 0.020 A 11 TRP HZ3 H 1 7.182 0.020 A 12 GLY H H 1 8.032 0.020 A 12 GLY HA2 H 1 3.592 0.020 A 12 GLY HA3 H 1 3.887 0.020 A 13 LYS H H 1 7.461 0.020 A 13 LYS HA H 1 4.382 0.020 A 13 LYS HBx H 1 1.408 0.020 A 13 LYS HBy H 1 1.808 0.020 A 13 LYS HDx H 1 1.560 0.020 A 13 LYS HDy H 1 1.560 0.020 A 13 LYS HGx H 1 1.200 0.020 A 13 LYS HGy H 1 1.200 0.020 A 14 LYS H H 1 8.261 0.020 A 14 LYS HA H 1 4.362 0.020 A 14 LYS HB2 H 1 1.660 0.020 A 14 LYS HB3 H 1 1.960 0.020 A 14 LYS HGx H 1 1.490 0.020 A 14 LYS HGy H 1 1.490 0.020 A 15 CYS H H 1 8.890 0.020 A 15 CYS HA H 1 4.880 0.020 A 15 CYS HB2 H 1 2.448 0.020 A 15 CYS HB3 H 1 3.134 0.020 A 16 CYS H H 1 9.363 0.020 A 16 CYS HA H 1 4.398 0.020 A 16 CYS HB2 H 1 2.395 0.020 A 16 CYS HB3 H 1 3.182 0.020 A 17 ASP H H 1 8.622 0.020 A 17 ASP HA H 1 4.564 0.020 A 17 ASP HB2 H 1 2.688 0.020 A 17 ASP HB3 H 1 3.454 0.020 A 18 LEU H H 1 8.602 0.020 A 18 LEU HA H 1 4.896 0.020 A 18 LEU HBx H 1 1.811 0.020 A 18 LEU HBy H 1 1.811 0.020 A 18 LEU HDx% H 1 1.035 0.020 A 18 LEU HDy% H 1 1.035 0.020 A 18 LEU HG H 1 1.934 0.020 A 19 ASP H H 1 8.392 0.020 A 19 ASP HA H 1 4.621 0.020 A 19 ASP HBx H 1 2.834 0.020 A 19 ASP HBy H 1 2.834 0.020 A 20 ASN H H 1 8.092 0.020 A 20 ASN HA H 1 4.882 0.020 A 20 ASN HB2 H 1 2.265 0.020 A 20 ASN HB3 H 1 2.502 0.020 A 20 ASN HD21 H 1 6.995 0.020 A 20 ASN HD22 H 1 8.252 0.020 A 21 PHE H H 1 8.408 0.020 A 21 PHE HA H 1 5.431 0.020 A 21 PHE HB2 H 1 2.711 0.020 A 21 PHE HB3 H 1 3.091 0.020 A 21 PHE HDx H 1 7.280 0.020 A 21 PHE HDy H 1 7.280 0.020 A 21 PHE HEx H 1 7.332 0.020 A 21 PHE HEy H 1 7.332 0.020 A 22 TYR H H 1 9.268 0.020 A 22 TYR HA H 1 4.843 0.020 A 22 TYR HB2 H 1 2.706 0.020 A 22 TYR HB3 H 1 2.809 0.020 A 22 TYR HDx H 1 6.486 0.020 A 22 TYR HDy H 1 6.486 0.020 A 22 TYR HEx H 1 6.515 0.020 A 22 TYR HEy H 1 6.515 0.020 A 23 CYS H H 1 8.790 0.020 A 23 CYS HA H 1 5.071 0.020 A 23 CYS HB2 H 1 3.095 0.020 A 23 CYS HB3 H 1 3.199 0.020 A 24 PRO HA H 1 4.520 0.020 A 24 PRO HBx H 1 2.200 0.020 A 24 PRO HBy H 1 2.201 0.020 A 24 PRO HD2 H 1 3.782 0.020 A 24 PRO HD3 H 1 3.403 0.020 A 24 PRO HG2 H 1 1.790 0.020 A 24 PRO HG3 H 1 1.890 0.020 A 25 MET H H 1 8.540 0.020 A 25 MET HA H 1 4.534 0.020 A 25 MET HB2 H 1 2.015 0.020 A 25 MET HB3 H 1 2.129 0.020 A 25 MET HG2 H 1 2.564 0.020 A 25 MET HG3 H 1 2.688 0.020 A 26 GLU H H 1 7.298 0.020 A 26 GLU HA H 1 4.552 0.020 A 26 GLU HBx H 1 1.575 0.020 A 26 GLU HBy H 1 1.575 0.020 A 26 GLU HG2 H 1 2.160 0.020 A 26 GLU HG3 H 1 2.270 0.020 A 27 PHE H H 1 8.495 0.020 A 27 PHE HA H 1 4.385 0.020 A 27 PHE HB2 H 1 3.071 0.020 A 27 PHE HB3 H 1 3.217 0.020 A 27 PHE HDx H 1 7.310 0.020 A 27 PHE HDy H 1 7.310 0.020 A 27 PHE HEx H 1 7.390 0.020 A 27 PHE HEy H 1 7.390 0.020 A 27 PHE HZ H 1 6.940 0.020 A 28 ILE H H 1 8.183 0.020 A 28 ILE HA H 1 4.192 0.020 A 28 ILE HB H 1 1.893 0.020 A 28 ILE HD1% H 1 0.677 0.020 A 28 ILE HG1x H 1 1.230 0.020 A 28 ILE HG1y H 1 1.230 0.020 A 28 ILE HG2% H 1 0.808 0.020 A 29 PRO HA H 1 4.455 0.020 A 29 PRO HBx H 1 2.200 0.020 A 29 PRO HBy H 1 2.200 0.020 A 29 PRO HDx H 1 3.654 0.020 A 29 PRO HDy H 1 3.654 0.020 A 29 PRO HG2 H 1 1.770 0.020 A 29 PRO HG3 H 1 2.300 0.020 A 30 HIS H H 1 7.246 0.020 A 30 HIS HA H 1 5.146 0.020 A 30 HIS HB2 H 1 2.500 0.020 A 30 HIS HB3 H 1 2.835 0.020 A 30 HIS HD2 H 1 7.167 0.020 A 30 HIS HE1 H 1 8.509 0.020 A 31 CYS H H 1 8.200 0.020 A 31 CYS HA H 1 4.510 0.020 A 31 CYS HB2 H 1 2.680 0.020 A 31 CYS HB3 H 1 3.080 0.020 A 32 LYS H H 1 9.034 0.020 A 32 LYS HA H 1 4.869 0.020 A 32 LYS HB2 H 1 1.380 0.020 A 32 LYS HB3 H 1 1.570 0.020 A 32 LYS HG2 H 1 1.504 0.020 A 32 LYS HG3 H 1 1.674 0.020 A 33 LYS H H 1 8.777 0.020 A 33 LYS HA H 1 4.316 0.020 A 33 LYS HBx H 1 1.708 0.020 A 33 LYS HBy H 1 1.708 0.020 A 33 LYS HEx H 1 2.940 0.020 A 33 LYS HEy H 1 2.940 0.020 A 33 LYS HGx H 1 1.083 0.020 A 33 LYS HGy H 1 1.083 0.020 A 34 TYR H H 1 8.077 0.020 A 34 TYR HA H 1 4.529 0.020 A 34 TYR HB2 H 1 2.733 0.020 A 34 TYR HB3 H 1 2.896 0.020 A 34 TYR HDx H 1 6.785 0.020 A 34 TYR HDy H 1 6.785 0.020 A 34 TYR HEx H 1 6.550 0.020 A 34 TYR HEy H 1 6.550 0.020 A 35 LYS H H 1 8.156 0.020 A 35 LYS HA H 1 4.603 0.020 A 35 LYS HB2 H 1 1.620 0.020 A 35 LYS HB3 H 1 1.730 0.020 A 35 LYS HEx H 1 2.989 0.020 A 35 LYS HEy H 1 2.989 0.020 A 35 LYS HGx H 1 1.340 0.020 A 35 LYS HGy H 1 1.380 0.020 A 36 PRO HA H 1 4.314 0.020 A 36 PRO HBx H 1 2.220 0.020 A 36 PRO HBy H 1 2.220 0.020 A 36 PRO HDx H 1 3.589 0.020 A 36 PRO HDy H 1 3.589 0.020 A 36 PRO HGx H 1 1.930 0.020 A 36 PRO HGy H 1 1.930 0.020 A 37 TYR H H 1 8.287 0.020 A 37 TYR HA H 1 4.501 0.020 A 37 TYR HB2 H 1 2.886 0.020 A 37 TYR HB3 H 1 3.050 0.020 A 37 TYR HDx H 1 7.081 0.020 A 37 TYR HDy H 1 7.081 0.020 A 37 TYR HEx H 1 6.800 0.020 A 37 TYR HEy H 1 6.800 0.020 A 38 VAL H H 1 7.789 0.020 A 38 VAL HA H 1 4.298 0.020 A 38 VAL HB H 1 1.915 0.020 A 38 VAL HGx% H 1 0.839 0.020 A 38 VAL HGy% H 1 0.839 0.020 A 39 PRO HA H 1 4.310 0.020 A 40 VAL H H 1 8.174 0.020 A 40 VAL HA H 1 4.151 0.020 A 40 VAL HB H 1 2.085 0.020 A 40 VAL HGx% H 1 0.970 0.020 A 40 VAL HGy% H 1 0.970 0.020 A 41 THR H H 1 8.286 0.020 A 41 THR HA H 1 4.469 0.020 A 41 THR HB H 1 4.250 0.020 A 41 THR HG2% H 1 1.201 0.020 A 42 THR H H 1 8.026 0.020 A 42 THR HA H 1 4.312 0.020 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 11 TRP H A 11 TRP HA 1.0 0.0 3.91 2 2 A 11 TRP H A 11 TRP HB3 1.0 0.0 3.86 3 3 A 11 TRP H A 11 TRP HB2 1.0 0.0 3.96 4 4 A 3 ALA H A 3 ALA HB% 1.0 0.0 3.51 5 5 A 3 ALA H A 2 CYS HB2 1.0 0.0 3.77 6 6 A 3 ALA H A 2 CYS HB3 1.0 0.0 4.02 7 7 A 3 ALA H A 3 ALA HA 1.0 0.0 4.11 8 8 A 3 ALA H A 16 CYS HA 1.0 0.0 4.51 9 9 A 3 ALA H A 15 CYS HA 1.0 0.0 3.92 10 10 A 3 ALA H A 2 CYS HA 1.0 0.0 3.50 11 11 A 31 CYS HA A 32 LYS H 1.0 0.0 3.24 12 12 A 16 CYS HA A 16 CYS H 1.0 0.0 4.22 13 13 A 21 PHE HA A 22 TYR H 1.0 0.0 3.56 14 14 A 15 CYS HA A 16 CYS H 1.0 0.0 3.50 15 15 A 22 TYR H A 22 TYR HA 1.0 0.0 4.31 16 16 A 31 CYS HA A 22 TYR H 1.0 0.0 4.52 17 17 A 22 TYR H A 22 TYR HB3 1.0 0.0 3.79 18 18 A 32 LYS H A 31 CYS HB2 1.0 0.0 4.41 19 19 A 32 LYS H A 32 LYS HB2 1.0 0.0 4.39 20 20 A 32 LYS H A 32 LYS HG3 1.0 0.0 5.50 21 21 A 32 LYS H A 32 LYS HB3 1.0 0.0 4.07 22 22 A 3 ALA HB% A 16 CYS H 1.0 0.0 4.35 23 23 A 16 CYS H A 16 CYS HB3 1.0 0.0 3.91 24 24 A 2 CYS HB3 A 16 CYS H 1.0 0.0 4.48 25 25 A 22 TYR H A 21 PHE HB2 1.0 0.0 4.27 26 26 A 2 CYS HA A 16 CYS H 1.0 0.0 5.29 27 27 A 32 LYS H A 32 LYS HA 1.0 0.0 4.27 28 28 A 32 LYS H A 23 CYS HA 1.0 0.0 4.87 29 29 A 2 CYS HA A 2 CYS H 1.0 0.0 4.29 30 30 A 20 ASN HA A 21 PHE H 1.0 0.0 3.63 31 31 A 9 CYS HA A 10 SER H 1.0 0.0 3.62 32 32 A 21 PHE HA A 21 PHE H 1.0 0.0 4.51 33 33 A 21 PHE HA A 34 TYR H 1.0 0.0 4.01 34 34 A 20 ASN HA A 20 ASN H 1.0 0.0 3.77 35 35 A 11 TRP H A 10 SER HB2 1.0 0.0 3.79 36 36 A 4 LYS H A 4 LYS HA 1.0 0.0 4.11 37 37 A 11 TRP H A 10 SER HB3 1.0 0.0 4.08 38 38 A 14 LYS HA A 15 CYS H 1.0 0.0 3.27 39 39 A 18 LEU H A 18 LEU HA 1.0 0.0 4.00 40 40 A 23 CYS HA A 23 CYS H 1.0 0.0 4.53 41 41 A 27 PHE H A 27 PHE HA 1.0 0.0 3.74 42 42 A 10 SER H A 9 CYS HB2 1.0 0.0 3.81 43 43 A 10 SER H A 9 CYS HB3 1.0 0.0 4.05 44 44 A 19 ASP H A 19 ASP HBy 1.0 0.0 3.21 45 44 A 19 ASP H A 19 ASP HBx 1.0 0.0 3.21 46 45 A 2 CYS H A 1 ASP HBx 1.0 0.0 3.72 47 45 A 2 CYS H A 1 ASP HBy 1.0 0.0 3.72 48 46 A 17 ASP H A 17 ASP HB3 1.0 0.0 3.94 49 47 A 23 CYS H A 22 TYR HB2 1.0 0.0 3.75 50 48 A 22 TYR HB3 A 23 CYS H 1.0 0.0 3.91 51 49 A 15 CYS H A 15 CYS HB3 1.0 0.0 3.76 52 50 A 15 CYS H A 14 LYS HB3 1.0 0.0 3.88 53 50 A 15 CYS H A 14 LYS HB2 1.0 0.0 3.88 54 51 A 5 GLU HGy A 6 GLY H 1.0 0.0 3.88 55 52 A 6 GLY H A 5 GLU HGx 1.0 0.0 4.23 56 53 A 4 LYS H A 7 GLU HGy 1.0 0.0 4.03 57 54 A 16 CYS HB3 A 17 ASP H 1.0 0.0 4.51 58 55 A 18 LEU H A 18 LEU HBx 1.0 0.0 3.54 59 55 A 18 LEU H A 18 LEU HBy 1.0 0.0 3.54 60 56 A 18 LEU H A 18 LEU HG 1.0 0.0 3.51 61 57 A 6 GLY H A 5 GLU HB2 1.0 0.0 4.58 62 58 A 6 GLY H A 5 GLU HB3 1.0 0.0 4.29 63 59 A 33 LYS H A 33 LYS HBy 1.0 0.0 3.55 64 60 A 33 LYS H A 33 LYS HBx 1.0 0.0 3.77 65 61 A 4 LYS H A 4 LYS HDy 1.0 0.0 4.04 66 61 A 4 LYS H A 4 LYS HDx 1.0 0.0 4.04 67 62 A 4 LYS H A 4 LYS HB3 1.0 0.0 3.69 68 63 A 4 LYS H A 4 LYS HGy 1.0 0.0 4.38 69 63 A 4 LYS H A 4 LYS HGx 1.0 0.0 4.38 70 64 A 3 ALA HB% A 4 LYS H 1.0 0.0 4.04 71 65 A 18 LEU H A 18 LEU HDx% 1.0 0.0 4.06 72 65 A 18 LEU H A 18 LEU HDy% 1.0 0.0 4.06 73 66 A 15 CYS H A 18 LEU HDx% 1.0 0.0 4.08 74 66 A 15 CYS H A 18 LEU HDy% 1.0 0.0 4.08 75 67 A 2 CYS HB3 A 2 CYS H 1.0 0.0 4.03 76 68 A 2 CYS HB2 A 2 CYS H 1.0 0.0 4.43 77 69 A 5 GLU H A 5 GLU HA 1.0 0.0 4.23 78 70 A 6 GLY H A 5 GLU HA 1.0 0.0 3.43 79 71 A 6 GLY H A 6 GLY HA2 1.0 0.0 3.66 80 72 A 6 GLY H A 6 GLY HA3 1.0 0.0 3.72 81 73 A 7 GLU H A 7 GLU HA 1.0 0.0 3.48 82 74 A 8 VAL H A 8 VAL HA 1.0 0.0 3.58 83 75 A 8 VAL H A 8 VAL HGy% 1.0 0.0 3.66 84 76 A 8 VAL H A 8 VAL HGx% 1.0 0.0 4.32 85 77 A 8 VAL H A 8 VAL HB 1.0 0.0 3.42 86 78 A 30 HIS H A 30 HIS HA 1.0 0.0 4.46 87 79 A 30 HIS HA A 30 HIS HD2 1.0 0.0 5.01 88 80 A 21 PHE HA A 21 PHE HD% 1.0 0.0 3.98 89 81 A 21 PHE HA A 21 PHE HE% 1.0 0.0 5.50 90 82 A 9 CYS HA A 9 CYS H 1.0 0.0 3.54 91 83 A 37 TYR HA A 38 VAL H 1.0 0.0 3.22 92 84 A 13 LYS H A 13 LYS HA 1.0 0.0 4.03 93 85 A 7 GLU HA A 30 HIS HD2 1.0 0.0 4.37 94 86 A 37 TYR HA A 37 TYR HDx 1.0 0.0 4.08 95 86 A 37 TYR HA A 37 TYR HDy 1.0 0.0 4.08 96 87 A 8 VAL HA A 30 HIS HD2 1.0 0.0 4.46 97 88 A 36 PRO HA A 37 TYR HDx 1.0 0.0 5.02 98 88 A 36 PRO HA A 37 TYR HDy 1.0 0.0 5.02 99 89 A 21 PHE HE% A 17 ASP HB2 1.0 0.0 4.20 100 90 A 12 GLY H A 12 GLY HA3 1.0 0.0 3.35 101 91 A 10 SER HB2 A 12 GLY H 1.0 0.0 4.87 102 92 A 10 SER H A 10 SER HB2 1.0 0.0 5.13 103 93 A 10 SER H A 10 SER HB3 1.0 0.0 4.76 104 94 A 40 VAL HA A 41 THR H 1.0 0.0 3.57 105 95 A 30 HIS HA A 31 CYS H 1.0 0.0 3.39 106 96 A 15 CYS HA A 15 CYS H 1.0 0.0 4.31 107 97 A 3 ALA HA A 4 LYS H 1.0 0.0 3.11 108 98 A 11 TRP H A 10 SER HA 1.0 0.0 3.47 109 99 A 27 PHE H A 26 GLU HA 1.0 0.0 3.34 110 100 A 25 MET H A 25 MET HA 1.0 0.0 3.10 111 101 A 17 ASP H A 17 ASP HA 1.0 0.0 3.20 112 102 A 30 HIS HD2 A 30 HIS HB3 1.0 0.0 4.29 113 103 A 30 HIS HD2 A 30 HIS HB2 1.0 0.0 4.54 114 104 A 17 ASP HB3 A 21 PHE HE% 1.0 0.0 3.93 115 105 A 21 PHE HE% A 20 ASN HB2 1.0 0.0 4.01 116 106 A 20 ASN HB2 A 20 ASN HD21 1.0 0.0 4.51 117 107 A 20 ASN HD21 A 20 ASN HB3 1.0 0.0 4.94 118 108 A 37 TYR HB3 A 37 TYR HDx 1.0 0.0 3.49 119 108 A 37 TYR HB3 A 37 TYR HDy 1.0 0.0 3.49 120 109 A 37 TYR HB2 A 37 TYR HDx 1.0 0.0 3.70 121 109 A 37 TYR HB2 A 37 TYR HDy 1.0 0.0 3.70 122 110 A 30 HIS H A 30 HIS HB2 1.0 0.0 4.09 123 111 A 21 PHE HD% A 20 ASN HB2 1.0 0.0 3.58 124 112 A 30 HIS H A 30 HIS HB3 1.0 0.0 4.51 125 113 A 23 CYS H A 23 CYS HB3 1.0 0.0 3.52 126 114 A 23 CYS H A 23 CYS HB2 1.0 0.0 3.79 127 115 A 22 TYR H A 22 TYR HB2 1.0 0.0 5.36 128 116 A 22 TYR HA A 22 TYR HD% 1.0 0.0 4.48 129 117 A 22 TYR HB3 A 22 TYR HD% 1.0 0.0 3.52 130 118 A 22 TYR HB2 A 22 TYR HD% 1.0 0.0 3.48 131 119 A 22 TYR HD% A 34 TYR HB2 1.0 0.0 4.40 132 120 A 22 TYR HB3 A 22 TYR HE% 1.0 0.0 3.89 133 121 A 22 TYR HB2 A 22 TYR HE% 1.0 0.0 4.00 134 122 A 19 ASP H A 19 ASP HA 1.0 0.0 3.54 135 123 A 19 ASP H A 18 LEU HDx% 1.0 0.0 4.55 136 123 A 19 ASP H A 18 LEU HDy% 1.0 0.0 4.55 137 124 A 21 PHE H A 20 ASN HB3 1.0 0.0 4.87 138 125 A 21 PHE H A 20 ASN HB2 1.0 0.0 4.38 139 126 A 21 PHE H A 21 PHE HB3 1.0 0.0 3.97 140 127 A 25 MET H A 25 MET HG3 1.0 0.0 5.15 141 128 A 25 MET H A 25 MET HG2 1.0 0.0 4.95 142 129 A 25 MET H A 25 MET HB3 1.0 0.0 3.67 143 130 A 28 ILE HB A 30 HIS HE1 1.0 0.0 4.30 144 131 A 4 LYS H A 7 GLU HBy 1.0 0.0 4.48 145 132 A 4 LYS H A 4 LYS HB2 1.0 0.0 4.04 146 133 A 3 ALA HB% A 2 CYS H 1.0 0.0 5.50 147 134 A 31 CYS H A 30 HIS HB3 1.0 0.0 3.94 148 135 A 20 ASN HB2 A 20 ASN HD22 1.0 0.0 4.11 149 136 A 7 GLU H A 31 CYS HB3 1.0 0.0 3.82 150 137 A 34 TYR HB3 A 35 LYS H 1.0 0.0 3.97 151 138 A 34 TYR H A 34 TYR HB3 1.0 0.0 3.70 152 139 A 40 VAL H A 40 VAL HGy% 1.0 0.0 4.60 153 140 A 28 ILE H A 28 ILE HD1% 1.0 0.0 4.60 154 141 A 8 VAL HGy% A 9 CYS H 1.0 0.0 4.23 155 142 A 13 LYS H A 13 LYS HBy 1.0 0.0 4.10 156 143 A 13 LYS H A 13 LYS HBx 1.0 0.0 4.12 157 144 A 5 GLU H A 4 LYS HGy 1.0 0.0 4.59 158 144 A 4 LYS HGx A 5 GLU H 1.0 0.0 4.59 159 145 A 4 LYS HB3 A 5 GLU H 1.0 0.0 3.98 160 146 A 5 GLU H A 4 LYS HDy 1.0 0.0 4.95 161 146 A 4 LYS HDx A 5 GLU H 1.0 0.0 4.95 162 147 A 5 GLU HB3 A 5 GLU H 1.0 0.0 3.40 163 148 A 17 ASP H A 17 ASP HB2 1.0 0.0 4.27 164 149 A 17 ASP H A 16 CYS HB2 1.0 0.0 3.79 165 150 A 16 CYS H A 16 CYS HB2 1.0 0.0 3.65 166 151 A 14 LYS HA A 14 LYS H 1.0 0.0 3.10 167 152 A 36 PRO HA A 37 TYR H 1.0 0.0 3.35 168 153 A 14 LYS H A 14 LYS HB3 1.0 0.0 3.67 169 154 A 14 LYS HB2 A 14 LYS H 1.0 0.0 3.48 170 155 A 14 LYS H A 14 LYS HGy 1.0 0.0 3.71 171 156 A 13 LYS H A 12 GLY HA3 1.0 0.0 4.30 172 157 A 13 LYS H A 12 GLY HA2 1.0 0.0 4.37 173 158 A 3 ALA HB% A 14 LYS H 1.0 0.0 4.17 174 159 A 8 VAL HGx% A 9 CYS H 1.0 0.0 3.81 175 160 A 12 GLY H A 12 GLY HA2 1.0 0.0 3.53 176 161 A 21 PHE HB2 A 21 PHE H 1.0 0.0 3.80 177 162 A 10 SER H A 10 SER HA 1.0 0.0 3.44 178 163 A 11 TRP HB3 A 11 TRP HD1 1.0 0.0 4.19 179 164 A 11 TRP HB2 A 11 TRP HD1 1.0 0.0 4.39 180 165 A 11 TRP HA A 11 TRP HD1 1.0 0.0 4.43 181 166 A 11 TRP HB3 A 12 GLY H 1.0 0.0 4.43 182 167 A 11 TRP HB2 A 12 GLY H 1.0 0.0 4.74 183 168 A 9 CYS HB3 A 9 CYS H 1.0 0.0 4.35 184 169 A 9 CYS HB2 A 9 CYS H 1.0 0.0 4.89 185 170 A 38 VAL H A 37 TYR HB2 1.0 0.0 4.79 186 171 A 9 CYS H A 29 PRO HBx 1.0 0.0 5.14 187 172 A 27 PHE HD% A 27 PHE HB3 1.0 0.0 3.49 188 173 A 27 PHE HD% A 27 PHE HB2 1.0 0.0 3.90 189 174 A 21 PHE HB2 A 21 PHE HD% 1.0 0.0 3.33 190 175 A 21 PHE HD% A 17 ASP HB2 1.0 0.0 3.38 191 176 A 4 LYS HA A 5 GLU H 1.0 0.0 3.55 192 177 A 8 VAL HA A 9 CYS H 1.0 0.0 3.20 193 178 A 11 TRP HZ2 A 11 TRP HZ3 1.0 0.0 5.20 194 179 A 11 TRP HZ3 A 11 TRP HE3 1.0 0.0 4.10 195 180 A 11 TRP HD1 A 11 TRP HE1 1.0 0.0 3.99 196 181 A 11 TRP HZ2 A 11 TRP HE1 1.0 0.0 4.76 197 182 A 10 SER H A 13 LYS H 1.0 0.0 4.47 198 183 A 13 LYS H A 14 LYS H 1.0 0.0 4.97 199 184 A 38 VAL H A 37 TYR H 1.0 0.0 4.90 200 185 A 10 SER H A 9 CYS H 1.0 0.0 5.20 201 186 A 9 CYS H A 31 CYS H 1.0 0.0 4.97 202 187 A 8 VAL H A 9 CYS H 1.0 0.0 5.50 203 188 A 8 VAL H A 30 HIS HD2 1.0 0.0 4.88 204 189 A 37 TYR H A 37 TYR HDx 1.0 0.0 5.08 205 189 A 37 TYR H A 37 TYR HDy 1.0 0.0 5.08 206 190 A 35 LYS H A 34 TYR HD% 1.0 0.0 4.57 207 191 A 13 LYS H A 12 GLY H 1.0 0.0 3.90 208 192 A 15 CYS H A 14 LYS H 1.0 0.0 4.87 209 193 A 32 LYS H A 31 CYS H 1.0 0.0 4.92 210 194 A 32 LYS H A 22 TYR H 1.0 0.0 4.31 211 195 A 3 ALA H A 4 LYS H 1.0 0.0 5.14 212 196 A 3 ALA H A 2 CYS H 1.0 0.0 5.50 213 197 A 22 TYR H A 21 PHE H 1.0 0.0 5.50 214 198 A 22 TYR H A 34 TYR H 1.0 0.0 5.50 215 199 A 3 ALA H A 14 LYS H 1.0 0.0 5.50 216 200 A 32 LYS H A 33 LYS H 1.0 0.0 5.02 217 201 A 6 GLY H A 5 GLU H 1.0 0.0 5.50 218 202 A 27 PHE H A 28 ILE H 1.0 0.0 4.07 219 203 A 18 LEU H A 19 ASP H 1.0 0.0 3.80 220 204 A 20 ASN HD21 A 20 ASN HD22 1.0 0.0 3.15 221 205 A 21 PHE H A 34 TYR HD% 1.0 0.0 5.08 222 206 A 11 TRP HZ2 A 11 TRP HH2 1.0 0.0 3.58 223 207 A 37 TYR HDx A 37 TYR HEx 1.0 0.0 3.02 224 208 A 22 TYR H A 34 TYR HD% 1.0 0.0 5.33 225 209 A 22 TYR H A 23 CYS H 1.0 0.0 5.50 226 210 A 16 CYS HA A 17 ASP H 1.0 0.0 3.39 227 211 A 2 CYS H A 1 ASP HA 1.0 0.0 3.44 228 212 A 33 LYS H A 33 LYS HA 1.0 0.0 3.98 229 213 A 41 THR HA A 42 THR H 1.0 0.0 4.27 230 214 A 35 LYS H A 35 LYS HA 1.0 0.0 3.93 231 215 A 34 TYR H A 33 LYS HA 1.0 0.0 3.35 232 216 A 30 HIS H A 29 PRO HA 1.0 0.0 3.40 233 217 A 30 HIS H A 24 PRO HD2 1.0 0.0 4.93 234 218 A 36 PRO HA A 37 TYR HEx 1.0 0.0 4.22 235 218 A 36 PRO HA A 37 TYR HEy 1.0 0.0 4.22 236 219 A 34 TYR HD% A 34 TYR HA 1.0 0.0 3.83 237 220 A 21 PHE HA A 34 TYR HD% 1.0 0.0 4.65 238 221 A 21 PHE HE% A 33 LYS HA 1.0 0.0 4.24 239 222 A 27 PHE HA A 27 PHE HD% 1.0 0.0 3.73 240 223 A 25 MET H A 25 MET HB2 1.0 0.0 3.80 241 224 A 25 MET H A 24 PRO HBx 1.0 0.0 4.26 242 225 A 38 VAL H A 38 VAL HB 1.0 0.0 4.11 243 226 A 5 GLU HB2 A 5 GLU H 1.0 0.0 3.60 244 227 A 5 GLU H A 4 LYS HB2 1.0 0.0 3.55 245 228 A 35 LYS H A 35 LYS HB3 1.0 0.0 3.64 246 229 A 35 LYS H A 35 LYS HB2 1.0 0.0 4.04 247 230 A 20 ASN H A 20 ASN HB3 1.0 0.0 4.13 248 231 A 20 ASN H A 20 ASN HB2 1.0 0.0 3.90 249 232 A 34 TYR H A 34 TYR HB2 1.0 0.0 3.82 250 233 A 34 TYR HB2 A 35 LYS H 1.0 0.0 4.24 251 234 A 31 CYS H A 30 HIS HB2 1.0 0.0 4.30 252 235 A 37 TYR HB3 A 37 TYR H 1.0 0.0 4.11 253 236 A 37 TYR HB2 A 37 TYR H 1.0 0.0 3.81 254 237 A 31 CYS HB2 A 7 GLU H 1.0 0.0 3.39 255 238 A 6 GLY H A 31 CYS HB3 1.0 0.0 4.53 256 239 A 38 VAL H A 38 VAL HGx% 1.0 0.0 4.38 257 239 A 38 VAL H A 38 VAL HGy% 1.0 0.0 4.38 258 240 A 3 ALA HB% A 7 GLU H 1.0 0.0 4.29 259 241 A 28 ILE H A 28 ILE HG1x 1.0 0.0 4.10 260 241 A 28 ILE H A 28 ILE HG1y 1.0 0.0 4.10 261 242 A 21 PHE HE% A 33 LYS HGy 1.0 0.0 4.38 262 243 A 21 PHE HD% A 33 LYS HGy 1.0 0.0 4.38 263 244 A 27 PHE HD% A 28 ILE HG1x 1.0 0.0 3.96 264 244 A 27 PHE HD% A 28 ILE HG1y 1.0 0.0 3.96 265 245 A 30 HIS HD2 A 7 GLU HBx 1.0 0.0 5.50 266 245 A 30 HIS HD2 A 7 GLU HBy 1.0 0.0 5.50 267 246 A 9 CYS H A 29 PRO HBy 1.0 0.0 4.55 268 247 A 5 GLU HGy A 5 GLU H 1.0 0.0 4.61 269 248 A 28 ILE HB A 28 ILE H 1.0 0.0 3.65 270 249 A 7 GLU H A 7 GLU HBy 1.0 0.0 3.76 271 250 A 40 VAL H A 40 VAL HB 1.0 0.0 4.04 272 251 A 28 ILE H A 29 PRO HDy 1.0 0.0 3.93 273 251 A 28 ILE H A 29 PRO HDx 1.0 0.0 3.93 274 252 A 35 LYS H A 36 PRO HDy 1.0 0.0 4.64 275 252 A 35 LYS H A 36 PRO HDx 1.0 0.0 4.64 276 253 A 6 GLY HA3 A 7 GLU H 1.0 0.0 3.90 277 254 A 26 GLU HA A 26 GLU H 1.0 0.0 3.08 278 255 A 21 PHE HD% A 33 LYS HA 1.0 0.0 3.88 279 256 A 34 TYR H A 34 TYR HA 1.0 0.0 4.00 280 257 A 11 TRP HA A 12 GLY H 1.0 0.0 4.09 281 258 A 40 VAL H A 39 PRO HA 1.0 0.0 3.30 282 259 A 20 ASN H A 19 ASP HA 1.0 0.0 4.19 283 260 A 35 LYS H A 34 TYR HA 1.0 0.0 3.38 284 261 A 27 PHE HA A 28 ILE H 1.0 0.0 3.75 285 262 A 32 LYS HA A 33 LYS H 1.0 0.0 3.20 286 263 A 33 LYS H A 33 LYS HGx 1.0 0.0 4.85 287 264 A 33 LYS H A 33 LYS HGy 1.0 0.0 4.62 288 265 A 15 CYS H A 15 CYS HB2 1.0 0.0 3.99 289 266 A 15 CYS H A 9 CYS HB3 1.0 0.0 4.64 290 267 A 31 CYS HB2 A 6 GLY H 1.0 0.0 3.97 291 268 A 5 GLU HA A 7 GLU H 1.0 0.0 4.36 292 269 A 30 HIS HD2 A 30 HIS HE1 1.0 0.0 5.50 293 270 A 28 ILE H A 28 ILE HG2% 1.0 0.0 3.92 294 271 A 28 ILE H A 28 ILE HA 1.0 0.0 3.54 295 272 A 20 ASN HA A 20 ASN HD21 1.0 0.0 5.50 296 273 A 20 ASN HA A 20 ASN HD22 1.0 0.0 5.50 297 274 A 34 TYR HB3 A 34 TYR HD% 1.0 0.0 3.49 298 275 A 34 TYR HB2 A 34 TYR HD% 1.0 0.0 3.42 299 276 A 34 TYR HB2 A 34 TYR HE% 1.0 0.0 4.31 300 277 A 22 TYR HB3 A 34 TYR HE% 1.0 0.0 3.72 301 278 A 22 TYR HE% A 24 PRO HA 1.0 0.0 3.33 302 279 A 33 LYS HA A 34 TYR HE% 1.0 0.0 4.82 303 280 A 19 ASP HA A 34 TYR HE% 1.0 0.0 4.70 304 281 A 22 TYR HD% A 24 PRO HA 1.0 0.0 3.51 305 282 A 21 PHE HA A 34 TYR HE% 1.0 0.0 5.49 306 283 A 21 PHE HA A 22 TYR HE% 1.0 0.0 5.20 307 284 A 21 PHE HA A 22 TYR HD% 1.0 0.0 4.67 308 285 A 2 CYS HA A 14 LYS H 1.0 0.0 5.48 309 286 A 3 ALA HA A 16 CYS H 1.0 0.0 5.50 310 287 A 32 LYS H A 24 PRO HD2 1.0 0.0 4.88 311 288 A 16 CYS H A 4 LYS HA 1.0 0.0 5.40 312 289 A 22 TYR HE% A 24 PRO HBy 1.0 0.0 3.94 313 289 A 22 TYR HE% A 24 PRO HBx 1.0 0.0 3.94 314 290 A 22 TYR HD% A 24 PRO HBy 1.0 0.0 4.30 315 290 A 22 TYR HD% A 24 PRO HBx 1.0 0.0 4.30 316 291 A 22 TYR HE% A 24 PRO HG2 1.0 0.0 4.17 317 292 A 22 TYR HD% A 24 PRO HG2 1.0 0.0 4.54 318 293 A 22 TYR HE% A 24 PRO HG3 1.0 0.0 4.72 319 294 A 22 TYR HD% A 24 PRO HG3 1.0 0.0 5.16 320 295 A 32 LYS HB3 A 22 TYR HE% 1.0 0.0 4.22 321 296 A 32 LYS HB3 A 22 TYR HD% 1.0 0.0 4.54 322 297 A 21 PHE HE% A 20 ASN HB3 1.0 0.0 3.39 323 298 A 21 PHE HD% A 20 ASN HB3 1.0 0.0 3.26 324 299 A 7 GLU HA A 8 VAL H 1.0 0.0 3.20 325 300 A 37 TYR HA A 37 TYR H 1.0 0.0 3.59 326 301 A 38 VAL H A 38 VAL HA 1.0 0.0 4.22 327 302 A 40 VAL HA A 40 VAL H 1.0 0.0 4.27 328 303 A 23 CYS HA A 24 PRO HD2 1.0 0.0 3.54 329 304 A 23 CYS HA A 24 PRO HD3 1.0 0.0 3.59 330 305 A 23 CYS HA A 24 PRO HG2 1.0 0.0 5.40 331 306 A 10 SER HB2 A 10 SER HA 1.0 0.0 3.66 332 307 A 10 SER HB3 A 10 SER HA 1.0 0.0 3.57 333 308 A 35 LYS HA A 36 PRO HDy 1.0 0.0 3.20 334 309 A 8 VAL HA A 30 HIS HA 1.0 0.0 4.15 335 310 A 21 PHE HA A 33 LYS HA 1.0 0.0 4.48 336 311 A 21 PHE HA A 21 PHE HB3 1.0 0.0 3.57 337 312 A 21 PHE HA A 21 PHE HB2 1.0 0.0 3.91 338 313 A 25 MET H A 24 PRO HG3 1.0 0.0 4.67 339 314 A 4 LYS HA A 4 LYS HB3 1.0 0.0 4.03 340 315 A 4 LYS HA A 4 LYS HB2 1.0 0.0 4.02 341 316 A 4 LYS HA A 4 LYS HDy 1.0 0.0 4.45 342 317 A 29 PRO HG3 A 29 PRO HDy 1.0 0.0 5.50 343 318 A 29 PRO HBx A 29 PRO HDy 1.0 0.0 4.04 344 319 A 29 PRO HG2 A 29 PRO HDy 1.0 0.0 3.46 345 320 A 4 LYS HA A 4 LYS HGy 1.0 0.0 4.06 346 321 A 24 PRO HG3 A 24 PRO HD3 1.0 0.0 4.10 347 322 A 24 PRO HG2 A 24 PRO HD3 1.0 0.0 3.81 348 323 A 24 PRO HD3 A 24 PRO HBy 1.0 0.0 4.33 349 323 A 24 PRO HBx A 24 PRO HD3 1.0 0.0 4.33 350 324 A 5 GLU HB2 A 5 GLU HA 1.0 0.0 4.23 351 325 A 5 GLU HB3 A 5 GLU HA 1.0 0.0 3.99 352 326 A 24 PRO HD2 A 24 PRO HG3 1.0 0.0 4.58 353 327 A 34 TYR HB2 A 35 LYS HDy 1.0 0.0 4.24 354 328 A 29 PRO HG3 A 29 PRO HDy 1.0 0.0 3.40 355 329 A 24 PRO HD2 A 24 PRO HD3 1.0 0.0 3.31 356 330 A 16 CYS HB3 A 4 LYS HA 1.0 0.0 5.12 357 331 A 5 GLU HGx A 5 GLU H 1.0 0.0 4.67 358 332 A 24 PRO HD2 A 24 PRO HG2 1.0 0.0 5.43 359 333 A 24 PRO HD2 A 24 PRO HBy 1.0 0.0 5.50 360 333 A 24 PRO HD2 A 24 PRO HBx 1.0 0.0 5.50 361 334 A 3 ALA HB% A 9 CYS HA 1.0 0.0 3.99 362 335 A 9 CYS HA A 13 LYS HBy 1.0 0.0 4.89 363 336 A 2 CYS HB2 A 2 CYS HA 1.0 0.0 3.99 364 337 A 2 CYS HB3 A 2 CYS HA 1.0 0.0 3.82 365 338 A 18 LEU HA A 18 LEU HG 1.0 0.0 4.09 366 339 A 3 ALA HB% A 15 CYS HA 1.0 0.0 3.62 367 340 A 19 ASP HA A 19 ASP HBy 1.0 0.0 3.43 368 341 A 30 HIS H A 24 PRO HG2 1.0 0.0 4.05 369 342 A 30 HIS H A 24 PRO HBy 1.0 0.0 4.09 370 343 A 5 GLU HB2 A 21 PHE HE% 1.0 0.0 3.90 371 344 A 30 HIS H A 24 PRO HG3 1.0 0.0 4.33 372 345 A 30 HIS H A 24 PRO HD3 1.0 0.0 4.46 373 346 A 22 TYR HE% A 24 PRO HD3 1.0 0.0 5.50 374 347 A 22 TYR HD% A 24 PRO HD3 1.0 0.0 5.50 375 348 A 22 TYR HE% A 33 LYS HA 1.0 0.0 5.50 376 349 A 22 TYR HD% A 33 LYS HA 1.0 0.0 5.44 377 350 A 32 LYS HB2 A 22 TYR HE% 1.0 0.0 4.35 378 351 A 32 LYS HG3 A 22 TYR HE% 1.0 0.0 4.84 379 352 A 32 LYS HG3 A 22 TYR HD% 1.0 0.0 4.96 380 353 A 22 TYR HE% A 32 LYS HG2 1.0 0.0 4.08 381 354 A 32 LYS HB2 A 22 TYR HD% 1.0 0.0 4.60 382 355 A 22 TYR HD% A 32 LYS HG2 1.0 0.0 4.70 383 356 A 27 PHE H A 27 PHE HB2 1.0 0.0 3.53 384 357 A 27 PHE H A 27 PHE HB3 1.0 0.0 3.61 385 358 A 5 GLU HGy A 5 GLU HA 1.0 0.0 3.70 386 359 A 5 GLU HGx A 5 GLU HA 1.0 0.0 4.02 387 360 A 5 GLU HA A 31 CYS HB3 1.0 0.0 4.00 388 361 A 28 ILE HA A 29 PRO HDy 1.0 0.0 3.10 389 361 A 29 PRO HDx A 28 ILE HA 1.0 0.0 3.10 390 362 A 6 GLY HA3 A 30 HIS HB3 1.0 0.0 4.94 391 363 A 17 ASP HB3 A 21 PHE HD% 1.0 0.0 3.09 392 364 A 15 CYS HB3 A 18 LEU HDx% 1.0 0.0 4.07 393 364 A 15 CYS HB3 A 18 LEU HDy% 1.0 0.0 4.07 394 365 A 15 CYS HB2 A 18 LEU HDx% 1.0 0.0 4.43 395 365 A 18 LEU HDy% A 15 CYS HB2 1.0 0.0 4.43 396 366 A 32 LYS H A 32 LYS HG2 1.0 0.0 5.50 397 367 A 26 GLU H A 29 PRO HDy 1.0 0.0 5.19 398 367 A 29 PRO HDx A 26 GLU H 1.0 0.0 5.19 399 368 A 15 CYS H A 9 CYS HB2 1.0 0.0 5.50 400 369 A 32 LYS H A 24 PRO HD3 1.0 0.0 5.35 401 370 A 28 ILE HB A 28 ILE HA 1.0 0.0 4.16 402 371 A 28 ILE HA A 29 PRO HG2 1.0 0.0 5.45 403 372 A 28 ILE HA A 29 PRO HG3 1.0 0.0 5.30 404 373 A 6 GLY H A 30 HIS HB3 1.0 0.0 5.07 405 374 A 5 GLU HGy A 33 LYS H 1.0 0.0 4.54 406 375 A 14 LYS H A 18 LEU HDx% 1.0 0.0 5.01 407 375 A 18 LEU HDy% A 14 LYS H 1.0 0.0 5.01 408 376 A 9 CYS HA A 13 LYS H 1.0 0.0 5.50 409 377 A 20 ASN H A 20 ASN HD21 1.0 0.0 5.42 410 378 A 37 TYR H A 36 PRO HDy 1.0 0.0 5.50 411 378 A 37 TYR H A 36 PRO HDx 1.0 0.0 5.50 412 379 A 2 CYS HB2 A 14 LYS H 1.0 0.0 5.30 413 380 A 9 CYS HB2 A 31 CYS H 1.0 0.0 5.50 414 381 A 23 CYS HA A 31 CYS H 1.0 0.0 5.38 415 382 A 32 LYS H A 21 PHE HA 1.0 0.0 5.41 416 383 A 23 CYS HA A 22 TYR HD% 1.0 0.0 5.50 417 384 A 23 CYS HA A 22 TYR HE% 1.0 0.0 5.50 418 385 A 36 PRO HDx A 37 TYR HDy 1.0 0.0 5.50 419 385 A 37 TYR HDx A 36 PRO HDx 1.0 0.0 5.50 420 385 A 36 PRO HDy A 37 TYR HDy 1.0 0.0 5.50 421 385 A 37 TYR HDx A 36 PRO HDy 1.0 0.0 5.50 422 386 A 23 CYS H A 18 LEU HDx% 1.0 0.0 4.87 423 386 A 23 CYS H A 18 LEU HDy% 1.0 0.0 4.87 424 387 A 3 ALA HB% A 2 CYS HA 1.0 0.0 4.25 425 388 A 42 THR H A 42 THR HG21 1.0 0.0 5.50 426 389 A 42 THR H A 42 THR HA 1.0 0.0 5.13 427 390 A 41 THR H A 41 THR HG2% 1.0 0.0 5.50 428 391 A 35 LYS H A 35 LYS HGy 1.0 0.0 4.69 429 392 A 29 PRO HA A 24 PRO HG3 1.0 0.0 4.77 430 393 A 23 CYS H A 22 TYR HD% 1.0 0.0 4.65 431 394 A 25 MET H A 22 TYR HD% 1.0 0.0 5.25 432 395 A 34 TYR H A 22 TYR HD% 1.0 0.0 5.03 433 396 A 22 TYR HD% A 35 LYS H 1.0 0.0 5.46 434 397 A 23 CYS H A 24 PRO HD3 1.0 0.0 5.50 435 398 A 23 CYS H A 24 PRO HD2 1.0 0.0 5.50 436 399 A 29 PRO HA A 29 PRO HBy 1.0 0.0 3.50 437 400 A 29 PRO HA A 24 PRO HG2 1.0 0.0 4.06 438 401 A 29 PRO HA A 29 PRO HG3 1.0 0.0 3.65 439 402 A 20 ASN HD21 A 19 ASP HBy 1.0 0.0 4.50 440 402 A 19 ASP HBx A 20 ASN HD21 1.0 0.0 4.50 441 403 A 21 PHE HB2 A 34 TYR HE% 1.0 0.0 5.50 442 404 A 11 TRP H A 11 TRP HD1 1.0 0.0 5.00 443 405 A 21 PHE H A 21 PHE HD% 1.0 0.0 4.01 444 406 A 33 LYS H A 21 PHE HD% 1.0 0.0 4.40 445 407 A 21 PHE HE% A 20 ASN HD22 1.0 0.0 5.25 446 408 A 21 PHE HD% A 20 ASN HD22 1.0 0.0 5.19 447 409 A 34 TYR H A 34 TYR HE% 1.0 0.0 4.80 448 410 A 34 TYR H A 22 TYR HE% 1.0 0.0 5.14 449 411 A 25 MET H A 22 TYR HE% 1.0 0.0 4.99 450 412 A 23 CYS H A 22 TYR HE% 1.0 0.0 4.96 451 413 A 25 MET H A 26 GLU H 1.0 0.0 4.74 452 414 A 37 TYR H A 37 TYR HDx 1.0 0.0 4.96 453 414 A 37 TYR H A 37 TYR HDy 1.0 0.0 4.96 454 415 A 9 CYS H A 29 PRO HG2 1.0 0.0 4.53 455 416 A 38 VAL H A 37 TYR HB3 1.0 0.0 4.70 456 417 A 5 GLU HB2 A 21 PHE HD% 1.0 0.0 3.93 457 418 A 32 LYS H A 31 CYS HB3 1.0 0.0 4.17 458 419 A 35 LYS H A 35 LYS HGx 1.0 0.0 4.58 459 420 A 3 ALA HB% A 7 GLU HGy 1.0 0.0 4.59 460 420 A 3 ALA HB% A 7 GLU HGx 1.0 0.0 4.59 461 421 A 8 VAL HA A 31 CYS H 1.0 0.0 3.99 462 422 A 22 TYR H A 33 LYS HA 1.0 0.0 4.60 463 423 A 38 VAL H A 37 TYR HDx 1.0 0.0 4.85 464 423 A 38 VAL H A 37 TYR HDy 1.0 0.0 4.85 465 424 A 16 CYS H A 17 ASP H 1.0 0.0 4.76 466 425 A 16 CYS H A 15 CYS H 1.0 0.0 5.50 467 426 A 3 ALA H A 16 CYS H 1.0 0.0 4.23 468 427 A 34 TYR H A 33 LYS H 1.0 0.0 4.84 469 428 A 11 TRP H A 12 GLY H 1.0 0.0 4.05 470 429 A 4 LYS H A 5 GLU H 1.0 0.0 5.47 471 430 A 11 TRP H A 13 LYS H 1.0 0.0 5.50 472 431 A 30 HIS HD2 A 31 CYS H 1.0 0.0 5.50 473 432 A 34 TYR H A 34 TYR HD% 1.0 0.0 3.91 474 433 A 22 TYR H A 22 TYR HD% 1.0 0.0 3.83 475 434 A 22 TYR H A 22 TYR HE% 1.0 0.0 4.24 476 435 A 21 PHE H A 34 TYR HE% 1.0 0.0 4.58 477 436 A 22 TYR HE% A 24 PRO HD2 1.0 0.0 5.38 478 437 A 22 TYR HD% A 24 PRO HD2 1.0 0.0 5.50 479 438 A 22 TYR HE% A 34 TYR HD% 1.0 0.0 4.21 480 439 A 22 TYR HD% A 34 TYR HD% 1.0 0.0 4.06 481 440 A 32 LYS H A 21 PHE HD% 1.0 0.0 5.16 482 441 A 22 TYR H A 21 PHE HD% 1.0 0.0 4.68 483 442 A 17 ASP H A 21 PHE HD% 1.0 0.0 4.92 484 443 A 31 CYS HB2 A 5 GLU HA 1.0 0.0 3.08 485 444 A 6 GLY HA3 A 30 HIS HB2 1.0 0.0 4.93 486 445 A 35 LYS HDy A 35 LYS HGy 1.0 0.0 4.53 487 446 A 34 TYR HB3 A 35 LYS HDy 1.0 0.0 4.35 488 447 A 3 ALA HB% A 9 CYS HB2 1.0 0.0 5.09 489 448 A 3 ALA HB% A 9 CYS HB3 1.0 0.0 3.85 490 449 A 18 LEU HDy% A 14 LYS HB3 1.0 0.0 3.52 491 449 A 14 LYS HB3 A 18 LEU HDx% 1.0 0.0 3.52 492 450 A 14 LYS HA A 18 LEU HDx% 1.0 0.0 4.17 493 450 A 14 LYS HA A 18 LEU HDy% 1.0 0.0 4.17 494 451 A 6 GLY HA2 A 30 HIS HB3 1.0 0.0 4.13 495 452 A 9 CYS H A 29 PRO HDy 1.0 0.0 4.73 496 452 A 9 CYS H A 29 PRO HDx 1.0 0.0 4.73 497 453 A 6 GLY HA3 A 30 HIS HD2 1.0 0.0 4.98 498 454 A 29 PRO HA A 26 GLU H 1.0 0.0 4.47 499 455 A 30 HIS HD2 A 9 CYS H 1.0 0.0 4.96 500 456 A 32 LYS H A 22 TYR HD% 1.0 0.0 5.50 501 457 A 32 LYS H A 21 PHE HE% 1.0 0.0 5.50 502 458 A 22 TYR HB2 A 34 TYR HE% 1.0 0.0 3.93 503 459 A 34 TYR HB2 A 22 TYR HE% 1.0 0.0 4.60 504 460 A 30 HIS H A 29 PRO HDy 1.0 0.0 4.98 505 460 A 30 HIS H A 29 PRO HDx 1.0 0.0 4.98 506 461 A 16 CYS HB3 A 4 LYS HA 1.0 0.0 4.32 507 462 A 21 PHE H A 34 TYR HE% 1.0 0.0 4.84 508 463 A 11 TRP H A 11 TRP HE3 1.0 0.0 5.50 509 464 A 30 HIS H A 24 PRO HBx 1.0 0.0 3.93 510 465 A 5 GLU HA A 6 GLY HA3 1.0 0.0 5.43 511 466 A 3 ALA HB% A 4 LYS HA 1.0 0.0 5.50 512 467 A 3 ALA HB% A 9 CYS HB2 1.0 0.0 4.65 513 468 A 3 ALA HB% A 9 CYS HB3 1.0 0.0 3.79 514 469 A 16 CYS H A 17 ASP H 1.0 0.0 5.08 515 470 A 20 ASN H A 19 ASP H 1.0 0.0 3.17 516 471 A 30 HIS H A 31 CYS H 1.0 0.0 5.34 517 472 A 21 PHE HD% A 32 LYS HDx 1.0 0.0 4.40 518 472 A 21 PHE HD% A 32 LYS HDy 1.0 0.0 4.40 519 473 A 25 MET H A 22 TYR HE% 1.0 0.0 4.48 520 474 A 25 MET H A 26 GLU H 1.0 0.0 4.20 521 475 A 27 PHE H A 27 PHE HD% 1.0 0.0 4.59 522 476 A 33 LYS H A 21 PHE HE% 1.0 0.0 4.58 523 477 A 21 PHE H A 21 PHE HE% 1.0 0.0 4.78 524 478 A 34 TYR H A 34 TYR HD% 1.0 0.0 3.82 525 479 A 35 LYS H A 34 TYR HD% 1.0 0.0 4.58 526 480 A 21 PHE H A 34 TYR HD% 1.0 0.0 5.50 527 481 A 22 TYR H A 34 TYR HD% 1.0 0.0 5.33 528 482 A 5 GLU H A 21 PHE HE% 1.0 0.0 4.55 529 483 A 21 PHE HD% A 34 TYR HD% 1.0 0.0 4.83 530 484 A 21 PHE HA A 33 LYS HA 1.0 0.0 4.09 531 485 A 8 VAL H A 30 HIS HA 1.0 0.0 4.69 532 486 A 15 CYS HB3 A 18 LEU HDx% 1.0 0.0 3.83 533 486 A 15 CYS HB3 A 18 LEU HDy% 1.0 0.0 3.83 534 487 A 15 CYS HB2 A 18 LEU HDx% 1.0 0.0 3.93 535 487 A 18 LEU HDy% A 15 CYS HB2 1.0 0.0 3.93 536 488 A 31 CYS HA A 31 CYS H 1.0 0.0 3.88 537 489 A 6 GLY H A 7 GLU H 1.0 0.0 3.81 538 490 A 32 LYS H A 31 CYS H 1.0 0.0 4.96 539 491 A 3 ALA HB% A 15 CYS H 1.0 0.0 5.42 540 492 A 32 LYS H A 22 TYR HE% 1.0 0.0 5.18 541 493 A 34 TYR H A 22 TYR HE% 1.0 0.0 4.72 542 494 A 21 PHE HE% A 33 LYS HEx 1.0 0.0 4.16 543 494 A 21 PHE HE% A 33 LYS HEy 1.0 0.0 4.16 544 495 A 21 PHE HD% A 33 LYS HEx 1.0 0.0 3.91 545 495 A 21 PHE HD% A 33 LYS HEy 1.0 0.0 3.91 546 496 A 6 GLY H A 7 GLU H 1.0 0.0 3.76 547 497 A 20 ASN H A 18 LEU H 1.0 0.0 5.28 548 498 A 6 GLY HA3 A 30 HIS HB3 1.0 0.0 3.97 549 499 A 20 ASN HD21 A 19 ASP HBy 1.0 0.0 4.36 550 499 A 19 ASP HBx A 20 ASN HD21 1.0 0.0 4.36 551 499 A 20 ASN HD22 A 19 ASP HBy 1.0 0.0 4.36 552 499 A 19 ASP HBx A 20 ASN HD22 1.0 0.0 4.36 553 500 A 32 LYS HA A 6 GLY H 1.0 0.0 4.72 554 501 A 19 ASP H A 18 LEU HG 1.0 0.0 4.82 555 502 A 9 CYS HA A 13 LYS HBy 1.0 0.0 4.04 556 503 A 20 ASN HA A 34 TYR HD% 1.0 0.0 3.82 557 504 A 32 LYS HA A 21 PHE HE% 1.0 0.0 4.75 558 505 A 32 LYS HA A 21 PHE HD% 1.0 0.0 4.04 559 506 A 18 LEU H A 19 ASP HBy 1.0 0.0 4.56 560 506 A 18 LEU H A 19 ASP HBx 1.0 0.0 4.56 561 507 A 6 GLY H A 21 PHE HE% 1.0 0.0 5.43 562 508 A 6 GLY H A 21 PHE HD% 1.0 0.0 5.03 563 509 A 4 LYS H A 7 GLU H 1.0 0.0 5.50 564 510 A 21 PHE HB2 A 20 ASN H 1.0 0.0 5.13 565 511 A 20 ASN HA A 34 TYR HE% 1.0 0.0 4.21 566 512 A 15 CYS HA A 15 CYS HB2 1.0 0.0 3.50 567 513 A 15 CYS HA A 15 CYS HB3 1.0 0.0 3.65 568 514 A 8 VAL HGy% A 30 HIS HD2 1.0 0.0 3.85 569 515 A 30 HIS HE1 A 28 ILE HD1% 1.0 0.0 3.73 570 516 A 30 HIS HE1 A 28 ILE HG2% 1.0 0.0 4.71 571 517 A 8 VAL HGy% A 30 HIS HE1 1.0 0.0 4.89 572 518 A 30 HIS HD2 A 28 ILE HD1% 1.0 0.0 5.50 573 519 A 8 VAL HB A 30 HIS HD2 1.0 0.0 5.33 574 520 A 28 ILE HG2% A 27 PHE HE% 1.0 0.0 4.41 575 521 A 27 PHE HD% A 28 ILE HG2% 1.0 0.0 4.01 576 522 A 11 TRP HD1 A 28 ILE HG2% 1.0 0.0 5.21 577 523 A 27 PHE H A 26 GLU H 1.0 0.0 4.14 578 524 A 12 GLY HA3 A 11 TRP HE3 1.0 0.0 5.14 579 525 A 12 GLY HA2 A 11 TRP HE3 1.0 0.0 5.04 580 526 A 7 GLU HA A 8 VAL HGy% 1.0 0.0 4.56 581 527 A 29 PRO HBy A 24 PRO HD3 1.0 0.0 3.67 582 528 A 24 PRO HD2 A 29 PRO HBy 1.0 0.0 4.12 583 529 A 8 VAL HGy% A 30 HIS HA 1.0 0.0 5.18 584 530 A 4 LYS HA A 16 CYS HB2 1.0 0.0 5.50 585 531 A 14 LYS HA A 15 CYS HB3 1.0 0.0 4.66 586 532 A 10 SER HB3 A 12 GLY H 1.0 0.0 4.38 587 533 A 3 ALA HB% A 7 GLU HBx 1.0 0.0 4.22 588 533 A 3 ALA HB% A 7 GLU HBy 1.0 0.0 4.22 589 534 A 21 PHE HA A 33 LYS H 1.0 0.0 5.50 590 535 A 9 CYS HA A 15 CYS H 1.0 0.0 5.50 591 536 A 3 ALA H A 9 CYS HA 1.0 0.0 5.50 592 537 A 5 GLU HA A 21 PHE HE% 1.0 0.0 4.18 593 538 A 5 GLU HA A 21 PHE HD% 1.0 0.0 4.06 594 539 A 20 ASN H A 17 ASP HB2 1.0 0.0 5.50 595 540 A 11 TRP HB3 A 11 TRP HE3 1.0 0.0 4.06 596 541 A 11 TRP HB2 A 11 TRP HE3 1.0 0.0 4.09 597 542 A 12 GLY H A 11 TRP HE3 1.0 0.0 4.92 598 543 A 34 TYR H A 36 PRO HDy 1.0 0.0 4.23 599 543 A 34 TYR H A 36 PRO HDx 1.0 0.0 4.23 600 544 A 10 SER H A 14 LYS HA 1.0 0.0 4.16 601 545 A 24 PRO HD2 A 29 PRO HBy 1.0 0.0 4.50 602 546 A 29 PRO HBy A 24 PRO HD3 1.0 0.0 3.72 603 547 A 11 TRP HE1 A 29 PRO HDy 1.0 0.0 5.50 604 547 A 11 TRP HE1 A 29 PRO HDx 1.0 0.0 5.50 605 548 A 11 TRP HE1 A 28 ILE HA 1.0 0.0 5.50 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 16 CYS C A 17 ASP N A 17 ASP CA A 17 ASP C 1.0 -160.0 -80.0 PHI 2 2 A 18 LEU C A 19 ASP N A 19 ASP CA A 19 ASP C 1.0 -160.0 -80.0 PHI 3 3 A 19 ASP C A 20 ASN N A 20 ASN CA A 20 ASN C 1.0 -160.0 -80.0 PHI 4 4 A 27 PHE C A 28 ILE N A 28 ILE CA A 28 ILE C 1.0 -160.0 -80.0 PHI 5 5 A 29 PRO C A 30 HIS N A 30 HIS CA A 30 HIS C 1.0 -160.0 -80.0 PHI 6 6 A 31 CYS C A 32 LYS N A 32 LYS CA A 32 LYS C 1.0 -160.0 -80.0 PHI stop_ save_