data_nef_c15464_2jv1 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 6 CYS SG 1 11 CYS SG 1 7 CYS SG 2 7 CYS SG 1 20 CYS SG 2 19 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 GLY start . false 2 A 2 ILE middle . true 3 A 3 VAL middle . . 4 A 4 GLU middle . . 5 A 5 GLN middle . . 6 A 6 CYS middle -HG . 7 A 7 CYS middle -HG . 8 A 8 THR middle . . 9 A 9 SER middle . . 10 A 10 ILE middle . . 11 A 11 CYS middle -HG . 12 A 12 SER middle . . 13 A 13 LEU middle . . 14 A 14 TYR middle . . 15 A 15 GLN middle . . 16 A 16 LEU middle . . 17 A 17 GLU middle . . 18 A 18 ASN middle . . 19 A 19 TYR middle . . 20 A 20 CYS middle -HG . 21 A 21 ASN end . . 22 B 1 PHE start . . 23 B 2 VAL middle . true 24 B 3 ASN middle . . 25 B 4 GLN middle . . 26 B 5 HIS middle . . 27 B 6 LEU middle . . 28 B 7 CYS middle -HG . 29 B 8 GLY middle . false 30 B 9 SER middle . . 31 B 10 HIS middle . . 32 B 11 LEU middle . . 33 B 12 VAL middle . . 34 B 13 GLU middle . . 35 B 14 ALA middle . . 36 B 15 LEU middle . . 37 B 16 TYR middle . . 38 B 17 LEU middle . . 39 B 18 VAL middle . . 40 B 19 CYS middle -HG . 41 B 20 GLY middle . false 42 B 21 GLU middle . true 43 B 22 ARG middle . . 44 B 23 GLY middle . false 45 B 24 PHE middle . . 46 B 25 PHE middle . . 47 B 26 TYR middle . . 48 B 27 THR middle . . 49 B 28 PRO middle . true 50 B 29 LYS middle . . 51 B 30 THR end . true 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 GLY HA2 H 1 3.954 0.02 A 1 GLY HA3 H 1 3.954 0.02 A 2 ILE H H 1 8.422 0.02 A 2 ILE HA H 1 3.887 0.02 A 2 ILE HB H 1 1.261 0.02 A 2 ILE HD1% H 1 0.638 0.02 A 2 ILE HG1x H 1 1.170 0.02 A 2 ILE HG2% H 1 0.750 0.02 A 3 VAL H H 1 8.081 0.02 A 3 VAL HA H 1 3.624 0.02 A 3 VAL HB H 1 1.929 0.02 A 3 VAL HGx% H 1 0.922 0.02 A 3 VAL HGy% H 1 0.876 0.02 A 4 GLU H H 1 8.147 0.02 A 4 GLU HA H 1 4.164 0.02 A 4 GLU HBy H 1 2.072 0.02 A 4 GLU HBx H 1 2.020 0.02 A 4 GLU HGy H 1 2.481 0.02 A 4 GLU HGx H 1 2.378 0.02 A 5 GLN H H 1 8.193 0.02 A 5 GLN HA H 1 4.040 0.02 A 5 GLN HBy H 1 2.084 0.02 A 5 GLN HBx H 1 2.025 0.02 A 5 GLN HE2x H 1 6.751 0.02 A 5 GLN HE2y H 1 7.441 0.02 A 5 GLN HGy H 1 2.426 0.02 A 5 GLN HGx H 1 2.361 0.02 A 6 CYS H H 1 8.172 0.02 A 6 CYS HA H 1 4.844 0.02 A 6 CYS HB2 H 1 2.867 0.02 A 6 CYS HB3 H 1 3.249 0.02 A 7 CYS H H 1 8.245 0.02 A 7 CYS HA H 1 4.798 0.02 A 7 CYS HB2 H 1 3.689 0.02 A 7 CYS HB3 H 1 3.307 0.02 A 8 THR H H 1 8.072 0.02 A 8 THR HA H 1 4.062 0.02 A 8 THR HB H 1 4.371 0.02 A 8 THR HG2% H 1 1.211 0.02 A 9 SER H H 1 7.333 0.02 A 9 SER HA H 1 4.682 0.02 A 9 SER HBy H 1 3.993 0.02 A 9 SER HBx H 1 3.840 0.02 A 10 ILE H H 1 7.747 0.02 A 10 ILE HA H 1 4.423 0.02 A 10 ILE HB H 1 1.563 0.02 A 10 ILE HD1% H 1 0.588 0.02 A 10 ILE HG1y H 1 1.168 0.02 A 10 ILE HG1x H 1 0.588 0.02 A 10 ILE HG2% H 1 0.671 0.02 A 11 CYS H H 1 9.358 0.02 A 11 CYS HA H 1 5.025 0.02 A 11 CYS HBy H 1 3.278 0.02 A 11 CYS HBx H 1 3.068 0.02 A 12 SER H H 1 8.543 0.02 A 12 SER HA H 1 4.579 0.02 A 12 SER HB2 H 1 4.262 0.02 A 12 SER HB3 H 1 3.944 0.02 A 13 LEU H H 1 8.574 0.02 A 13 LEU HA H 1 3.951 0.02 A 13 LEU HBy H 1 1.525 0.02 A 13 LEU HBx H 1 1.426 0.02 A 13 LEU HD1% H 1 0.872 0.02 A 13 LEU HD2% H 1 0.799 0.02 A 13 LEU HG H 1 1.530 0.02 A 14 TYR H H 1 7.432 0.02 A 14 TYR HA H 1 4.144 0.02 A 14 TYR HBy H 1 2.975 0.02 A 14 TYR HBx H 1 2.904 0.02 A 14 TYR HDx H 1 7.068 0.02 A 14 TYR HEx H 1 6.827 0.02 A 15 GLN H H 1 7.506 0.02 A 15 GLN HA H 1 3.974 0.02 A 15 GLN HBy H 1 2.347 0.02 A 15 GLN HBx H 1 2.005 0.02 A 15 GLN HE2x H 1 6.856 0.02 A 15 GLN HE2y H 1 7.382 0.02 A 15 GLN HGy H 1 2.419 0.02 A 15 GLN HGx H 1 2.351 0.02 A 16 LEU H H 1 7.966 0.02 A 16 LEU HA H 1 4.133 0.02 A 16 LEU HBy H 1 1.879 0.02 A 16 LEU HBx H 1 1.591 0.02 A 16 LEU HD1% H 1 0.811 0.02 A 16 LEU HD2% H 1 0.772 0.02 A 16 LEU HG H 1 1.722 0.02 A 17 GLU H H 1 7.985 0.02 A 17 GLU HA H 1 4.143 0.02 A 17 GLU HBy H 1 2.075 0.02 A 17 GLU HBx H 1 2.017 0.02 A 17 GLU HGy H 1 2.544 0.02 A 17 GLU HGx H 1 2.347 0.02 A 18 ASN H H 1 7.418 0.02 A 18 ASN HA H 1 4.436 0.02 A 18 ASN HBy H 1 2.577 0.02 A 18 ASN HBx H 1 2.499 0.02 A 18 ASN HD2x H 1 6.381 0.02 A 18 ASN HD2y H 1 7.111 0.02 A 19 TYR H H 1 7.862 0.02 A 19 TYR HA H 1 4.426 0.02 A 19 TYR HB2 H 1 2.944 0.02 A 19 TYR HB3 H 1 3.301 0.02 A 19 TYR HDx H 1 7.284 0.02 A 19 TYR HEx H 1 6.738 0.02 A 20 CYS H H 1 7.393 0.02 A 20 CYS HA H 1 4.736 0.02 A 20 CYS HBy H 1 3.209 0.02 A 20 CYS HBx H 1 2.813 0.02 A 21 ASN H H 1 7.943 0.02 A 21 ASN HA H 1 4.602 0.02 A 21 ASN HBy H 1 2.793 0.02 A 21 ASN HBx H 1 2.682 0.02 A 21 ASN HD2x H 1 6.564 0.02 A 21 ASN HD2y H 1 7.386 0.02 B 1 PHE HA H 1 4.270 0.02 B 1 PHE HBy H 1 3.193 0.02 B 1 PHE HBx H 1 3.141 0.02 B 1 PHE HDx H 1 7.262 0.02 B 1 PHE HEx H 1 7.383 0.02 B 2 VAL H H 1 8.083 0.02 B 2 VAL HA H 1 4.100 0.02 B 2 VAL HB H 1 1.959 0.02 B 2 VAL HG1% H 1 0.876 0.02 B 2 VAL HG2% H 1 0.876 0.02 B 3 ASN H H 1 8.239 0.02 B 3 ASN HA H 1 4.638 0.02 B 3 ASN HBy H 1 2.763 0.02 B 3 ASN HBx H 1 2.700 0.02 B 3 ASN HD2x H 1 6.760 0.02 B 3 ASN HD2y H 1 7.445 0.02 B 4 GLN H H 1 8.181 0.02 B 4 GLN HA H 1 4.373 0.02 B 4 GLN HBy H 1 2.088 0.02 B 4 GLN HBx H 1 1.818 0.02 B 4 GLN HE2x H 1 6.619 0.02 B 4 GLN HE2y H 1 7.314 0.02 B 4 GLN HGy H 1 2.231 0.02 B 4 GLN HGx H 1 2.190 0.02 B 5 HIS H H 1 8.379 0.02 B 5 HIS HA H 1 4.461 0.02 B 5 HIS HB2 H 1 3.233 0.02 B 5 HIS HB3 H 1 3.528 0.02 B 5 HIS HD1 H 1 7.360 0.02 B 5 HIS HD2 H 1 7.360 0.02 B 5 HIS HE1 H 1 8.496 0.02 B 6 LEU H H 1 8.754 0.02 B 6 LEU HA H 1 4.454 0.02 B 6 LEU HB2 H 1 1.688 0.02 B 6 LEU HB3 H 1 1.006 0.02 B 6 LEU HDx% H 1 0.848 0.02 B 6 LEU HDy% H 1 0.740 0.02 B 6 LEU HG H 1 1.551 0.02 B 7 CYS H H 1 8.153 0.02 B 7 CYS HA H 1 4.869 0.02 B 7 CYS HB2 H 1 3.186 0.02 B 7 CYS HB3 H 1 2.957 0.02 B 8 GLY H H 1 8.852 0.02 B 8 GLY HAy H 1 3.967 0.02 B 8 GLY HAx H 1 3.783 0.02 B 9 SER H H 1 8.829 0.02 B 9 SER HA H 1 4.075 0.02 B 9 SER HB2 H 1 3.844 0.02 B 9 SER HB3 H 1 3.844 0.02 B 10 HIS H H 1 7.937 0.02 B 10 HIS HA H 1 4.490 0.02 B 10 HIS HB2 H 1 3.497 0.02 B 10 HIS HB3 H 1 3.262 0.02 B 10 HIS HD1 H 1 7.422 0.02 B 10 HIS HD2 H 1 7.422 0.02 B 10 HIS HE1 H 1 8.626 0.02 B 11 LEU H H 1 7.126 0.02 B 11 LEU HA H 1 3.992 0.02 B 11 LEU HBy H 1 1.852 0.02 B 11 LEU HBx H 1 1.241 0.02 B 11 LEU HDx% H 1 0.803 0.02 B 11 LEU HDy% H 1 0.752 0.02 B 11 LEU HG H 1 1.374 0.02 B 12 VAL H H 1 7.284 0.02 B 12 VAL HA H 1 3.392 0.02 B 12 VAL HB H 1 2.054 0.02 B 12 VAL HGx% H 1 0.960 0.02 B 12 VAL HGy% H 1 0.923 0.02 B 13 GLU H H 1 7.921 0.02 B 13 GLU HA H 1 4.053 0.02 B 13 GLU HBy H 1 2.139 0.02 B 13 GLU HBx H 1 2.070 0.02 B 13 GLU HG2 H 1 2.516 0.02 B 13 GLU HG3 H 1 2.516 0.02 B 14 ALA H H 1 7.755 0.02 B 14 ALA HA H 1 4.055 0.02 B 14 ALA HB% H 1 1.446 0.02 B 15 LEU H H 1 8.072 0.02 B 15 LEU HA H 1 3.915 0.02 B 15 LEU HBy H 1 1.528 0.02 B 15 LEU HBx H 1 1.140 0.02 B 15 LEU HDx% H 1 0.702 0.02 B 15 LEU HDy% H 1 0.589 0.02 B 15 LEU HG H 1 1.527 0.02 B 16 TYR H H 1 8.149 0.02 B 16 TYR HA H 1 4.187 0.02 B 16 TYR HBx H 1 3.109 0.02 B 16 TYR HBy H 1 3.109 0.02 B 16 TYR HDx H 1 7.100 0.02 B 16 TYR HEx H 1 6.742 0.02 B 17 LEU H H 1 7.918 0.02 B 17 LEU HA H 1 4.054 0.02 B 17 LEU HBy H 1 1.887 0.02 B 17 LEU HBx H 1 1.618 0.02 B 17 LEU HDx% H 1 0.938 0.02 B 17 LEU HDy% H 1 0.916 0.02 B 17 LEU HG H 1 1.868 0.02 B 18 VAL H H 1 8.414 0.02 B 18 VAL HA H 1 3.823 0.02 B 18 VAL HB H 1 2.093 0.02 B 18 VAL HGx% H 1 1.012 0.02 B 18 VAL HGy% H 1 0.876 0.02 B 19 CYS H H 1 8.606 0.02 B 19 CYS HA H 1 4.718 0.02 B 19 CYS HB2 H 1 2.908 0.02 B 19 CYS HB3 H 1 3.207 0.02 B 20 GLY H H 1 7.807 0.02 B 20 GLY HA2 H 1 3.877 0.02 B 20 GLY HA3 H 1 3.877 0.02 B 21 GLU H H 1 8.147 0.02 B 21 GLU HA H 1 4.216 0.02 B 21 GLU HBy H 1 2.159 0.02 B 21 GLU HBx H 1 2.070 0.02 B 21 GLU HG2 H 1 2.470 0.02 B 21 GLU HG3 H 1 2.470 0.02 B 22 ARG H H 1 7.835 0.02 B 22 ARG HA H 1 4.190 0.02 B 22 ARG HBy H 1 1.937 0.02 B 22 ARG HBx H 1 1.877 0.02 B 22 ARG HD2 H 1 3.209 0.02 B 22 ARG HD3 H 1 3.209 0.02 B 22 ARG HE H 1 7.221 0.02 B 22 ARG HG2 H 1 1.713 0.02 B 22 ARG HG3 H 1 1.713 0.02 B 23 GLY H H 1 7.757 0.02 B 23 GLY HAy H 1 3.882 0.02 B 23 GLY HAx H 1 3.814 0.02 B 24 PHE H H 1 7.648 0.02 B 24 PHE HA H 1 4.667 0.02 B 24 PHE HBy H 1 3.031 0.02 B 24 PHE HBx H 1 2.885 0.02 B 24 PHE HDx H 1 7.002 0.02 B 24 PHE HEx H 1 7.151 0.02 B 25 PHE H H 1 8.006 0.02 B 25 PHE HA H 1 4.588 0.02 B 25 PHE HBy H 1 3.075 0.02 B 25 PHE HBx H 1 2.956 0.02 B 25 PHE HDx H 1 7.196 0.02 B 25 PHE HEx H 1 7.287 0.02 B 26 TYR H H 1 7.766 0.02 B 26 TYR HA H 1 4.582 0.02 B 26 TYR HBy H 1 2.948 0.02 B 26 TYR HBx H 1 2.907 0.02 B 26 TYR HDx H 1 7.034 0.02 B 26 TYR HEx H 1 6.755 0.02 B 27 THR H H 1 7.644 0.02 B 27 THR HA H 1 4.551 0.02 B 27 THR HB H 1 4.064 0.02 B 27 THR HG2% H 1 1.171 0.02 B 28 PRO HA H 1 4.334 0.02 B 28 PRO HBy H 1 2.232 0.02 B 28 PRO HBx H 1 1.921 0.02 B 28 PRO HD2 H 1 3.646 0.02 B 28 PRO HD3 H 1 3.646 0.02 B 28 PRO HGy H 1 1.994 0.02 B 28 PRO HGx H 1 1.915 0.02 B 29 LYS HA H 1 4.358 0.02 B 29 LYS HBy H 1 1.852 0.02 B 29 LYS HBx H 1 1.734 0.02 B 29 LYS HD2 H 1 1.656 0.02 B 29 LYS HD3 H 1 1.656 0.02 B 29 LYS HE2 H 1 2.950 0.02 B 29 LYS HE3 H 1 2.950 0.02 B 29 LYS HG2 H 1 1.449 0.02 B 29 LYS HG3 H 1 1.449 0.02 B 30 THR H H 1 7.726 0.02 B 30 THR HA H 1 4.309 0.02 B 30 THR HB H 1 4.292 0.02 B 30 THR HG2% H 1 1.152 0.02 stop_ save_ save_AMBER_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode AMBER_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 5 GLN H A 5 GLN HBy 1.0 1.8 3.51 2 2 A 5 GLN H A 5 GLN HBx 1.0 1.8 3.51 3 3 A 7 CYS H A 7 CYS HB3 1.0 1.8 3.87 4 4 A 10 ILE H A 10 ILE HB 1.0 1.8 4.34 5 5 A 11 CYS H A 11 CYS HBx 1.0 1.8 4.16 6 6 A 13 LEU H A 13 LEU HBx 1.0 1.8 4.04 7 7 A 14 TYR H A 14 TYR HA 1.0 1.8 3.37 8 8 A 14 TYR H A 14 TYR HBx 1.0 1.8 4.04 9 9 A 14 TYR H A 14 TYR HBy 1.0 1.8 4.04 10 10 A 15 GLN H A 15 GLN HBx 1.0 1.8 4.25 11 11 A 17 GLU H A 17 GLU HBx 1.0 1.8 3.62 12 12 A 20 CYS H A 20 CYS HBx 1.0 1.8 4.45 13 13 A 21 ASN H A 21 ASN HBx 1.0 1.8 4.23 14 14 B 3 ASN H B 3 ASN HBy 1.0 1.8 4.47 15 15 B 3 ASN H B 3 ASN HBx 1.0 1.8 4.17 16 16 B 6 LEU H B 6 LEU HB2 1.0 1.8 4.30 17 17 B 6 LEU H B 6 LEU HB3 1.0 1.8 4.30 18 18 B 15 LEU H B 15 LEU HA 1.0 1.8 3.44 19 19 B 22 ARG H B 22 ARG HA 1.0 1.8 3.50 20 20 B 25 PHE H B 25 PHE HBy 1.0 1.8 4.45 21 21 B 25 PHE H B 25 PHE HBx 1.0 1.8 4.45 22 22 B 26 TYR H B 26 TYR HA 1.0 1.8 3.50 23 23 B 27 THR H B 27 THR HB 1.0 1.8 4.27 24 24 A 10 ILE H A 9 SER HA 1.0 1.8 3.62 25 25 A 14 TYR HA A 15 GLN H 1.0 1.8 3.98 26 26 A 21 ASN H A 20 CYS HA 1.0 1.8 3.51 27 27 A 2 ILE HB A 3 VAL H 1.0 1.8 5.24 28 28 A 3 VAL H A 3 VAL HB 1.0 1.8 3.48 29 29 A 3 VAL HB A 4 GLU H 1.0 1.8 3.76 30 30 A 11 CYS HBy A 12 SER H 1.0 1.8 4.16 31 31 A 13 LEU H A 12 SER HA 1.0 1.8 3.26 32 32 A 14 TYR HBy A 15 GLN H 1.0 1.8 4.60 33 33 A 14 TYR HBx A 15 GLN H 1.0 1.8 4.30 34 34 A 20 CYS H A 19 TYR HB3 1.0 1.8 4.77 35 35 B 3 ASN H B 2 VAL HA 1.0 1.8 3.15 36 36 B 3 ASN HA B 4 GLN H 1.0 1.8 3.15 37 37 B 3 ASN HBx B 4 GLN H 1.0 1.8 4.56 38 38 B 4 GLN HBx B 5 HIS H 1.0 1.8 3.94 39 39 B 5 HIS H B 4 GLN HBy 1.0 1.8 4.34 40 40 B 5 HIS H B 4 GLN HA 1.0 1.8 3.33 41 41 B 6 LEU H B 5 HIS HB2 1.0 1.8 4.99 42 42 B 10 HIS H B 9 SER HB3 1.0 1.8 5.72 43 42 B 9 SER HB2 B 10 HIS H 1.0 1.8 5.72 44 43 B 13 GLU HBx B 14 ALA H 1.0 1.8 3.98 45 44 B 15 LEU HBx B 16 TYR H 1.0 1.8 4.02 46 45 B 18 VAL HA B 19 CYS H 1.0 1.8 4.05 47 46 B 19 CYS H B 18 VAL HB 1.0 1.8 3.55 48 47 B 19 CYS HA B 20 GLY H 1.0 1.8 4.07 49 48 B 20 GLY H B 19 CYS HB2 1.0 1.8 4.84 50 49 B 20 GLY H B 19 CYS HB3 1.0 1.8 4.84 51 50 B 23 GLY HAy B 24 PHE H 1.0 1.8 3.80 52 51 B 24 PHE H B 23 GLY HAx 1.0 1.8 3.80 53 52 B 25 PHE H B 24 PHE HA 1.0 1.8 3.51 54 53 A 19 TYR HB3 A 19 TYR H 1.0 1.8 4.02 55 54 A 20 CYS H A 20 CYS HBy 1.0 1.8 4.45 56 55 A 18 ASN H A 18 ASN HBy 1.0 1.8 3.80 57 56 A 18 ASN H A 18 ASN HBx 1.0 1.8 3.80 58 57 A 18 ASN H A 17 GLU HBy 1.0 1.8 4.63 59 58 A 17 GLU HBx A 18 ASN H 1.0 1.8 4.63 60 59 B 12 VAL H B 12 VAL HB 1.0 1.8 3.66 61 60 A 13 LEU HBx A 14 TYR H 1.0 1.8 4.23 62 61 A 14 TYR H A 13 LEU HBy 1.0 1.8 4.23 63 62 B 12 VAL H B 11 LEU HBx 1.0 1.8 4.27 64 63 B 12 VAL HA B 13 GLU H 1.0 1.8 4.05 65 64 B 22 ARG HA B 22 ARG HBy 1.0 1.8 3.80 66 65 B 22 ARG HA B 22 ARG HBx 1.0 1.8 3.80 67 66 A 3 VAL H A 2 ILE H 1.0 1.8 3.94 68 67 A 7 CYS H A 8 THR H 1.0 1.8 3.19 69 68 A 8 THR H A 9 SER H 1.0 1.8 3.58 70 69 A 10 ILE H A 9 SER H 1.0 1.8 4.84 71 70 A 11 CYS H A 12 SER H 1.0 1.8 5.10 72 71 A 13 LEU H A 14 TYR H 1.0 1.8 3.66 73 72 A 15 GLN H A 16 LEU H 1.0 1.8 3.48 74 73 A 17 GLU H A 18 ASN H 1.0 1.8 3.48 75 74 B 6 LEU H B 5 HIS H 1.0 1.8 5.13 76 75 B 6 LEU H B 7 CYS H 1.0 1.8 4.78 77 76 B 7 CYS H B 8 GLY H 1.0 1.8 4.81 78 77 B 10 HIS H B 9 SER H 1.0 1.8 3.76 79 78 B 10 HIS H B 11 LEU H 1.0 1.8 3.44 80 79 B 12 VAL H B 13 GLU H 1.0 1.8 3.66 81 80 B 14 ALA H B 13 GLU H 1.0 1.8 3.33 82 81 B 15 LEU H B 14 ALA H 1.0 1.8 3.44 83 82 B 17 LEU H B 18 VAL H 1.0 1.8 3.62 84 83 B 16 TYR H B 17 LEU H 1.0 1.8 3.44 85 84 B 19 CYS H B 18 VAL H 1.0 1.8 3.48 86 85 B 19 CYS H B 20 GLY H 1.0 1.8 3.44 87 86 B 22 ARG H B 21 GLU H 1.0 1.8 3.48 88 87 B 25 PHE H B 24 PHE H 1.0 1.8 5.11 89 88 B 25 PHE H B 26 TYR H 1.0 1.8 5.01 90 89 A 15 GLN H A 12 SER H 1.0 1.8 4.30 91 90 A 13 LEU H A 16 LEU H 1.0 1.8 5.24 92 91 B 8 GLY H B 11 LEU H 1.0 1.8 5.60 93 92 B 12 VAL H B 9 SER H 1.0 1.8 6.39 94 93 A 13 LEU HA A 16 LEU HBy 1.0 1.8 4.59 95 94 A 13 LEU HA A 16 LEU HBx 1.0 1.8 4.59 96 95 B 13 GLU HBx B 10 HIS HA 1.0 1.8 4.66 97 96 B 10 HIS HA B 13 GLU HBy 1.0 1.8 4.66 98 97 B 13 GLU HA B 16 TYR HBy 1.0 1.8 5.24 99 97 B 13 GLU HA B 16 TYR HBx 1.0 1.8 5.24 100 98 B 15 LEU HA B 18 VAL HB 1.0 1.8 4.38 101 99 A 7 CYS H A 3 VAL HA 1.0 1.8 5.31 102 100 A 14 TYR H A 12 SER HA 1.0 1.8 5.46 103 101 A 12 SER H A 15 GLN HBy 1.0 1.8 4.45 104 102 B 16 TYR H B 12 VAL HA 1.0 1.8 4.81 105 103 B 15 LEU H B 12 VAL HA 1.0 1.8 4.52 106 104 B 19 CYS H B 17 LEU HA 1.0 1.8 4.94 107 105 B 15 LEU HA B 19 CYS H 1.0 1.8 4.52 108 106 B 19 CYS H B 16 TYR HA 1.0 1.8 4.45 109 107 B 19 CYS H B 20 GLY HA3 1.0 1.8 6.28 110 107 B 19 CYS H B 20 GLY HA2 1.0 1.8 6.28 111 108 B 16 TYR H B 15 LEU HBy 1.0 1.8 4.32 112 109 B 2 VAL H B 2 VAL HB 1.0 1.8 4.45 113 110 B 2 VAL H B 1 PHE HA 1.0 1.8 4.19 114 111 B 9 SER H B 8 GLY HAy 1.0 1.8 3.94 115 112 A 19 TYR H A 18 ASN HBy 1.0 1.8 4.66 116 113 A 19 TYR H A 18 ASN HBx 1.0 1.8 4.66 117 114 B 18 VAL H B 17 LEU HA 1.0 1.8 3.98 118 115 A 12 SER H A 11 CYS HA 1.0 1.8 3.26 119 116 B 8 GLY H B 7 CYS HA 1.0 1.8 3.30 120 117 B 18 VAL H B 17 LEU HBx 1.0 1.8 4.47 121 118 B 18 VAL H B 17 LEU HBy 1.0 1.8 3.87 122 119 B 8 GLY H B 7 CYS HB3 1.0 1.8 4.09 123 120 B 8 GLY H B 7 CYS HB2 1.0 1.8 4.49 124 121 B 19 CYS H B 19 CYS HB3 1.0 1.8 4.24 125 122 B 19 CYS H B 19 CYS HB2 1.0 1.8 3.84 126 123 B 5 HIS H B 5 HIS HB3 1.0 1.8 4.24 127 124 B 5 HIS H B 5 HIS HB2 1.0 1.8 3.84 128 125 A 12 SER H A 16 LEU H 1.0 1.8 4.96 129 126 B 20 GLY H B 18 VAL H 1.0 1.8 4.71 130 127 B 6 LEU H A 7 CYS HA 1.0 1.8 3.62 131 128 A 11 CYS H A 6 CYS HA 1.0 1.8 4.41 132 129 A 11 CYS H A 10 ILE HA 1.0 1.8 3.51 133 130 B 17 LEU H B 16 TYR HBy 1.0 1.8 5.67 134 130 B 17 LEU H B 16 TYR HBx 1.0 1.8 5.67 135 131 B 10 HIS H B 10 HIS HB2 1.0 1.8 4.20 136 132 B 16 TYR H B 16 TYR HBy 1.0 1.8 4.91 137 132 B 16 TYR H B 16 TYR HBx 1.0 1.8 4.91 138 133 B 17 LEU H B 16 TYR HA 1.0 1.8 4.02 139 134 B 7 CYS H B 6 LEU HA 1.0 1.8 3.19 140 135 B 11 LEU H B 10 HIS HB2 1.0 1.8 4.70 141 136 A 13 LEU H A 13 LEU HBy 1.0 1.8 3.84 142 137 B 15 LEU HA B 18 VAL H 1.0 1.8 4.66 143 138 A 21 ASN H B 24 PHE HA 1.0 1.8 4.34 144 139 A 2 ILE HB A 2 ILE H 1.0 1.8 4.25 145 140 B 18 VAL HB B 18 VAL H 1.0 1.8 3.44 146 141 A 15 GLN HBx A 12 SER H 1.0 1.8 4.45 147 142 A 13 LEU H A 14 TYR HA 1.0 1.8 5.85 148 143 B 18 VAL H B 16 TYR HA 1.0 1.8 5.20 149 144 A 3 VAL H B 28 PRO HA 1.0 1.8 4.48 150 145 B 3 ASN H B 4 GLN HA 1.0 1.8 6.03 151 146 B 11 LEU HBx B 7 CYS HA 1.0 1.8 5.13 152 147 A 5 GLN H A 4 GLU HA 1.0 1.8 4.18 153 148 A 7 CYS H A 7 CYS HB2 1.0 1.8 3.87 154 149 B 3 ASN HBy B 4 GLN H 1.0 1.8 4.56 155 150 A 7 CYS H A 6 CYS HB2 1.0 1.8 4.50 156 151 B 3 ASN H B 2 VAL HB 1.0 1.8 4.53 157 152 A 16 LEU H A 16 LEU HBy 1.0 1.8 3.80 158 153 A 16 LEU H A 16 LEU HBx 1.0 1.8 4.20 159 154 B 22 ARG H B 22 ARG HBy 1.0 1.8 3.98 160 155 B 22 ARG H B 22 ARG HBx 1.0 1.8 4.13 161 156 B 17 LEU H B 17 LEU HBx 1.0 1.8 4.13 162 157 B 12 VAL H B 11 LEU HBy 1.0 1.8 4.43 163 158 B 11 LEU H B 11 LEU HBy 1.0 1.8 3.94 164 159 B 11 LEU HBx B 11 LEU H 1.0 1.8 3.94 165 160 B 11 LEU H B 10 HIS HB3 1.0 1.8 4.70 166 161 A 13 LEU HBx A 14 TYR HA 1.0 1.8 5.77 167 162 A 14 TYR HA A 13 LEU HBy 1.0 1.8 5.17 168 163 A 6 CYS HB2 A 6 CYS H 1.0 1.8 4.02 169 164 B 10 HIS H B 10 HIS HB3 1.0 1.8 4.20 170 165 A 15 GLN H A 12 SER HA 1.0 1.8 5.04 171 166 B 12 VAL H B 9 SER HA 1.0 1.8 4.84 172 167 B 2 VAL H B 1 PHE HBy 1.0 1.8 5.20 173 168 B 2 VAL H B 1 PHE HBx 1.0 1.8 5.20 174 169 A 21 ASN H A 21 ASN HBy 1.0 1.8 4.23 175 170 A 8 THR H A 4 GLU HA 1.0 1.8 4.66 176 171 B 14 ALA H B 13 GLU HBy 1.0 1.8 4.28 177 172 B 22 ARG H B 21 GLU HBy 1.0 1.8 5.02 178 173 B 22 ARG H B 21 GLU HBx 1.0 1.8 5.02 179 174 B 13 GLU HBx B 13 GLU H 1.0 1.8 3.98 180 175 B 13 GLU H B 13 GLU HBy 1.0 1.8 3.98 181 176 A 17 GLU H A 17 GLU HBy 1.0 1.8 3.62 182 177 B 20 GLY H B 17 LEU HA 1.0 1.8 4.66 183 178 B 26 TYR H B 26 TYR HBy 1.0 1.8 3.98 184 179 B 26 TYR H B 26 TYR HBx 1.0 1.8 3.98 185 180 A 11 CYS HBx A 12 SER H 1.0 1.8 4.31 186 181 B 19 CYS H B 17 LEU H 1.0 1.8 4.65 187 182 B 14 ALA H B 12 VAL HA 1.0 1.8 5.13 188 183 A 13 LEU H A 15 GLN H 1.0 1.8 4.61 189 184 A 7 CYS H A 6 CYS HA 1.0 1.8 3.94 190 185 A 6 CYS H A 5 GLN HA 1.0 1.8 4.34 191 186 A 16 LEU H A 13 LEU HA 1.0 1.8 4.20 192 187 B 24 PHE H B 16 TYR HA 1.0 1.8 6.32 193 188 A 20 CYS H A 19 TYR HB2 1.0 1.8 4.77 194 189 A 19 TYR H A 19 TYR HB2 1.0 1.8 4.02 195 190 A 11 CYS H B 4 GLN H 1.0 1.8 5.38 196 191 A 10 ILE H A 11 CYS H 1.0 1.8 5.38 197 192 A 11 CYS H B 5 HIS HA 1.0 1.8 4.48 198 193 A 11 CYS H A 11 CYS HBy 1.0 1.8 4.56 199 194 A 10 ILE HB A 11 CYS H 1.0 1.8 4.85 200 195 B 9 SER H B 8 GLY HAx 1.0 1.8 3.94 201 196 B 8 GLY H B 11 LEU HBy 1.0 1.8 5.35 202 197 B 12 VAL HB B 9 SER H 1.0 1.8 6.28 203 198 A 7 CYS H B 6 LEU H 1.0 1.8 5.96 204 199 B 6 LEU H B 5 HIS HA 1.0 1.8 3.87 205 200 B 6 LEU H B 7 CYS HA 1.0 1.8 5.49 206 201 B 6 LEU H B 5 HIS HB3 1.0 1.8 4.99 207 202 B 9 SER H B 11 LEU H 1.0 1.8 5.20 208 203 B 11 LEU HBx B 8 GLY H 1.0 1.8 5.35 209 204 A 4 GLU H A 2 ILE H 1.0 1.8 5.78 210 205 B 16 TYR H B 18 VAL H 1.0 1.8 4.88 211 206 B 19 CYS HA B 18 VAL H 1.0 1.8 5.92 212 207 A 2 ILE H A 3 VAL HA 1.0 1.8 6.50 213 208 B 18 VAL H B 16 TYR HBy 1.0 1.8 7.29 214 208 B 18 VAL H B 16 TYR HBx 1.0 1.8 7.29 215 209 A 7 CYS H A 9 SER H 1.0 1.8 4.59 216 210 A 7 CYS H A 4 GLU HA 1.0 1.8 4.63 217 211 A 7 CYS H A 5 GLN HA 1.0 1.8 4.96 218 212 A 5 GLN H A 2 ILE HA 1.0 1.8 4.59 219 213 A 5 GLN H A 1 GLY HA3 1.0 1.8 7.13 220 213 A 5 GLN H A 1 GLY HA2 1.0 1.8 7.13 221 214 A 3 VAL HA A 6 CYS H 1.0 1.8 4.81 222 215 A 6 CYS H A 6 CYS HB3 1.0 1.8 4.02 223 216 A 7 CYS H A 6 CYS HB3 1.0 1.8 4.30 224 217 B 7 CYS HA B 11 LEU HBy 1.0 1.8 5.13 225 218 A 5 GLN HBy A 6 CYS HA 1.0 1.8 6.40 226 219 A 5 GLN HBx A 6 CYS HA 1.0 1.8 6.00 227 220 B 18 VAL HB B 19 CYS HA 1.0 1.8 5.07 228 221 A 10 ILE HB A 9 SER HA 1.0 1.8 6.39 229 222 B 3 ASN HA B 4 GLN HBx 1.0 1.8 6.14 230 223 B 3 ASN HA B 4 GLN HBy 1.0 1.8 6.14 231 224 B 3 ASN HBy B 4 GLN HA 1.0 1.8 6.50 232 225 B 3 ASN HBx B 4 GLN HA 1.0 1.8 6.50 233 226 B 20 GLY H B 16 TYR HA 1.0 1.8 4.52 234 227 A 20 CYS H A 17 GLU HA 1.0 1.8 3.98 235 228 A 14 TYR HA A 17 GLU HBy 1.0 1.8 3.98 236 229 A 14 TYR HA A 17 GLU HBx 1.0 1.8 3.98 237 230 B 12 VAL HA B 13 GLU HA 1.0 1.8 5.96 238 231 B 14 ALA H B 11 LEU HA 1.0 1.8 4.12 239 232 A 17 GLU H A 15 GLN HA 1.0 1.8 4.86 240 233 B 18 VAL HA B 17 LEU HBy 1.0 1.8 5.64 241 234 B 18 VAL HA B 17 LEU HBx 1.0 1.8 5.64 242 235 B 11 LEU HBx B 12 VAL HA 1.0 1.8 6.50 243 236 B 12 VAL HA B 11 LEU HBy 1.0 1.8 6.50 244 237 A 15 GLN H A 15 GLN HBy 1.0 1.8 4.05 245 238 B 12 VAL HB B 13 GLU H 1.0 1.8 3.62 246 239 B 17 LEU H B 17 LEU HBy 1.0 1.8 3.98 247 240 A 3 VAL H A 1 GLY HA3 1.0 1.8 8.22 248 240 A 3 VAL H A 1 GLY HA2 1.0 1.8 8.22 249 241 A 16 LEU H A 16 LEU HG 1.0 1.8 4.77 250 242 A 19 TYR H A 19 TYR HEy 1.0 1.8 9.63 251 242 A 19 TYR H A 19 TYR HEx 1.0 1.8 9.63 252 243 A 19 TYR H A 19 TYR HDy 1.0 1.8 7.76 253 243 A 19 TYR H A 19 TYR HDx 1.0 1.8 7.76 254 244 B 3 ASN H B 3 ASN HD2x 1.0 1.8 6.50 255 245 B 5 HIS H B 5 HIS HD2 1.0 1.8 5.20 256 246 B 11 LEU H B 11 LEU HG 1.0 1.8 4.95 257 247 B 22 ARG H B 22 ARG HD3 1.0 1.8 8.22 258 247 B 22 ARG H B 22 ARG HD2 1.0 1.8 8.22 259 248 B 22 ARG H B 22 ARG HE 1.0 1.8 6.50 260 249 B 5 HIS H B 4 GLN HGx 1.0 1.8 6.50 261 250 B 12 VAL H B 11 LEU HG 1.0 1.8 4.88 262 251 B 11 LEU HA B 11 LEU HG 1.0 1.8 4.27 263 252 B 16 TYR H B 16 TYR HDy 1.0 1.8 8.74 264 252 B 16 TYR H B 16 TYR HDx 1.0 1.8 8.74 265 253 B 22 ARG HBx B 22 ARG HE 1.0 1.8 6.50 266 254 B 22 ARG HBy B 22 ARG HE 1.0 1.8 6.50 267 255 A 13 LEU HA A 16 LEU HG 1.0 1.8 6.50 268 256 A 19 TYR HDy A 16 LEU HA 1.0 1.8 6.80 269 256 A 19 TYR HDx A 16 LEU HA 1.0 1.8 6.80 270 257 A 18 ASN HBy A 19 TYR HDy 1.0 1.8 9.63 271 257 A 18 ASN HBy A 19 TYR HDx 1.0 1.8 9.63 272 258 A 18 ASN HBx A 19 TYR HDy 1.0 1.8 9.63 273 258 A 18 ASN HBx A 19 TYR HDx 1.0 1.8 9.63 274 259 B 1 PHE HA B 1 PHE HDy 1.0 1.8 9.63 275 259 B 1 PHE HA B 1 PHE HDx 1.0 1.8 9.63 276 260 B 24 PHE HA B 24 PHE HDy 1.0 1.8 9.22 277 260 B 24 PHE HA B 24 PHE HDx 1.0 1.8 9.22 278 261 B 25 PHE HA B 25 PHE HDy 1.0 1.8 8.69 279 261 B 25 PHE HA B 25 PHE HDx 1.0 1.8 8.69 280 262 B 16 TYR HBy B 24 PHE HEy 1.0 1.8 11.85 281 262 B 16 TYR HBy B 24 PHE HEx 1.0 1.8 11.85 282 262 B 16 TYR HBx B 24 PHE HEy 1.0 1.8 11.85 283 262 B 16 TYR HBx B 24 PHE HEx 1.0 1.8 11.85 284 263 B 16 TYR HA B 16 TYR HDy 1.0 1.8 8.45 285 263 B 16 TYR HA B 16 TYR HDx 1.0 1.8 8.45 286 264 B 26 TYR HA B 26 TYR HDy 1.0 1.8 8.57 287 264 B 26 TYR HA B 26 TYR HDx 1.0 1.8 8.57 288 265 A 19 TYR HDy A 19 TYR HA 1.0 1.8 7.61 289 265 A 19 TYR HDx A 19 TYR HA 1.0 1.8 7.61 290 266 A 14 TYR HA A 14 TYR HDy 1.0 1.8 7.40 291 266 A 14 TYR HA A 14 TYR HDx 1.0 1.8 7.40 292 267 B 18 VAL H B 17 LEU HG 1.0 1.8 5.85 293 268 A 8 THR HA B 5 HIS HE1 1.0 1.8 6.50 294 269 B 6 LEU H B 6 LEU HG 1.0 1.8 4.74 295 270 B 24 PHE H B 24 PHE HDy 1.0 1.8 9.30 296 270 B 24 PHE H B 24 PHE HDx 1.0 1.8 9.30 297 271 B 27 THR H B 26 TYR HDy 1.0 1.8 9.63 298 271 B 27 THR H B 26 TYR HDx 1.0 1.8 9.63 299 272 B 26 TYR H B 26 TYR HDy 1.0 1.8 9.63 300 272 B 26 TYR H B 26 TYR HDx 1.0 1.8 9.63 301 273 B 26 TYR H B 24 PHE HDy 1.0 1.8 9.63 302 273 B 26 TYR H B 24 PHE HDx 1.0 1.8 9.63 303 274 A 9 SER HA B 5 HIS HE1 1.0 1.8 5.10 304 275 A 10 ILE H B 5 HIS HE1 1.0 1.8 6.50 305 276 B 16 TYR HA B 24 PHE HDy 1.0 1.8 9.58 306 276 B 16 TYR HA B 24 PHE HDx 1.0 1.8 9.58 307 277 B 15 LEU HBx B 24 PHE HDy 1.0 1.8 9.63 308 277 B 15 LEU HBx B 24 PHE HDx 1.0 1.8 9.63 309 278 B 25 PHE H B 24 PHE HDy 1.0 1.8 9.63 310 278 B 25 PHE H B 24 PHE HDx 1.0 1.8 9.63 311 279 B 25 PHE H B 25 PHE HDy 1.0 1.8 9.63 312 279 B 25 PHE H B 25 PHE HDx 1.0 1.8 9.63 313 280 A 2 ILE H A 19 TYR HEy 1.0 1.8 9.63 314 280 A 2 ILE H A 19 TYR HEx 1.0 1.8 9.63 315 281 B 28 PRO HA B 26 TYR HEy 1.0 1.8 9.63 316 281 B 28 PRO HA B 26 TYR HEx 1.0 1.8 9.63 317 282 B 22 ARG H B 22 ARG HG3 1.0 1.8 7.38 318 282 B 22 ARG H B 22 ARG HG2 1.0 1.8 7.38 319 283 A 14 TYR H A 14 TYR HDy 1.0 1.8 9.38 320 283 A 14 TYR H A 14 TYR HDx 1.0 1.8 9.38 321 284 A 15 GLN H A 14 TYR HDy 1.0 1.8 9.63 322 284 A 15 GLN H A 14 TYR HDx 1.0 1.8 9.63 323 285 B 24 PHE H B 24 PHE HEy 1.0 1.8 9.63 324 285 B 24 PHE H B 24 PHE HEx 1.0 1.8 9.63 325 286 B 27 THR H B 25 PHE HDy 1.0 1.8 9.63 326 286 B 27 THR H B 25 PHE HDx 1.0 1.8 9.63 327 287 B 16 TYR H B 24 PHE HEy 1.0 1.8 9.63 328 287 B 16 TYR H B 24 PHE HEx 1.0 1.8 9.63 329 288 B 3 ASN H B 3 ASN HD2y 1.0 1.8 6.50 330 289 A 5 GLN H A 5 GLN HGx 1.0 1.8 5.28 331 290 A 5 GLN H A 5 GLN HGy 1.0 1.8 5.28 332 291 B 9 SER HB3 B 10 HIS HD2 1.0 1.8 8.22 333 291 B 9 SER HB2 B 10 HIS HD2 1.0 1.8 8.22 334 292 B 27 THR H B 28 PRO HD3 1.0 1.8 8.23 335 292 B 27 THR H B 28 PRO HD2 1.0 1.8 8.23 336 293 A 15 GLN H A 16 LEU HG 1.0 1.8 6.50 337 294 B 16 TYR HA B 24 PHE HEy 1.0 1.8 8.38 338 294 B 16 TYR HA B 24 PHE HEx 1.0 1.8 8.38 339 295 B 23 GLY HAy B 24 PHE HEy 1.0 1.8 9.63 340 295 B 23 GLY HAy B 24 PHE HEx 1.0 1.8 9.63 341 296 B 23 GLY HAx B 24 PHE HEy 1.0 1.8 9.63 342 296 B 23 GLY HAx B 24 PHE HEx 1.0 1.8 9.63 343 297 A 6 CYS H A 5 GLN HGx 1.0 1.8 6.50 344 298 A 6 CYS H A 5 GLN HGy 1.0 1.8 6.50 345 299 B 5 HIS H B 4 GLN HGy 1.0 1.8 6.50 346 300 A 19 TYR HEy A 16 LEU HA 1.0 1.8 9.63 347 300 A 19 TYR HEx A 16 LEU HA 1.0 1.8 9.63 348 301 A 15 GLN HA A 19 TYR HEy 1.0 1.8 9.27 349 301 A 15 GLN HA A 19 TYR HEx 1.0 1.8 9.27 350 302 A 18 ASN HBx A 19 TYR HEy 1.0 1.8 9.63 351 302 A 18 ASN HBx A 19 TYR HEx 1.0 1.8 9.63 352 303 A 18 ASN HBy A 19 TYR HEy 1.0 1.8 9.63 353 303 A 18 ASN HBy A 19 TYR HEx 1.0 1.8 9.63 354 304 A 16 LEU HG A 19 TYR HDy 1.0 1.8 9.63 355 304 A 16 LEU HG A 19 TYR HDx 1.0 1.8 9.63 356 305 A 4 GLU H A 4 GLU HGy 1.0 1.8 5.85 357 306 A 4 GLU H A 4 GLU HGx 1.0 1.8 5.85 358 307 B 4 GLN H B 4 GLN HGy 1.0 1.8 5.17 359 308 B 4 GLN H B 4 GLN HGx 1.0 1.8 5.17 360 309 B 13 GLU H B 13 GLU HG3 1.0 1.8 7.94 361 309 B 13 GLU H B 13 GLU HG2 1.0 1.8 7.94 362 310 B 9 SER H B 10 HIS HD2 1.0 1.8 6.50 363 311 B 8 GLY H A 7 CYS HB2 1.0 1.8 6.50 364 312 B 6 LEU H B 5 HIS HD2 1.0 1.8 6.80 365 313 A 13 LEU H A 14 TYR HDy 1.0 1.8 9.63 366 313 A 13 LEU H A 14 TYR HDx 1.0 1.8 9.63 367 314 B 19 CYS H B 24 PHE HDy 1.0 1.8 9.63 368 314 B 19 CYS H B 24 PHE HDx 1.0 1.8 9.63 369 315 A 13 LEU H A 13 LEU HG 1.0 1.8 3.91 370 316 B 18 VAL H B 16 TYR HDy 1.0 1.8 9.63 371 316 B 18 VAL H B 16 TYR HDx 1.0 1.8 9.63 372 317 B 5 HIS H B 6 LEU HG 1.0 1.8 6.50 373 318 B 3 ASN H B 4 GLN HGy 1.0 1.8 6.50 374 319 B 3 ASN H B 4 GLN HGx 1.0 1.8 6.50 375 320 B 16 TYR H B 24 PHE HDy 1.0 1.8 9.63 376 320 B 16 TYR H B 24 PHE HDx 1.0 1.8 9.63 377 321 B 7 CYS HA B 11 LEU HG 1.0 1.8 6.50 378 322 A 20 CYS HA B 24 PHE HDy 1.0 1.8 9.63 379 322 A 20 CYS HA B 24 PHE HDx 1.0 1.8 9.63 380 323 B 19 CYS HA B 22 ARG HG3 1.0 1.8 8.22 381 323 B 19 CYS HA B 22 ARG HG2 1.0 1.8 8.22 382 324 B 19 CYS HA B 22 ARG HE 1.0 1.8 6.25 383 325 B 24 PHE HA B 25 PHE HDy 1.0 1.8 9.63 384 325 B 24 PHE HA B 25 PHE HDx 1.0 1.8 9.63 385 326 B 3 ASN HA B 4 GLN HGy 1.0 1.8 6.50 386 327 B 3 ASN HA B 4 GLN HGx 1.0 1.8 6.50 387 328 B 10 HIS HA B 10 HIS HD2 1.0 1.8 6.28 388 329 A 18 ASN HA A 18 ASN HD2x 1.0 1.8 6.50 389 330 A 18 ASN HA A 18 ASN HD2y 1.0 1.8 6.50 390 331 A 10 ILE HB B 4 GLN HA 1.0 1.8 6.50 391 332 B 28 PRO HD3 B 29 LYS HA 1.0 1.8 8.23 392 332 B 28 PRO HD2 B 29 LYS HA 1.0 1.8 8.23 393 333 B 29 LYS HA B 29 LYS HD3 1.0 1.8 8.22 394 333 B 29 LYS HA B 29 LYS HD2 1.0 1.8 8.22 395 334 B 28 PRO HA B 26 TYR HDy 1.0 1.8 9.63 396 334 B 28 PRO HA B 26 TYR HDx 1.0 1.8 9.63 397 335 B 27 THR HB B 28 PRO HD3 1.0 1.8 8.23 398 335 B 27 THR HB B 28 PRO HD2 1.0 1.8 8.23 399 336 B 23 GLY HAy B 24 PHE HDy 1.0 1.8 9.63 400 336 B 23 GLY HAy B 24 PHE HDx 1.0 1.8 9.63 401 337 B 23 GLY HAx B 24 PHE HDy 1.0 1.8 9.63 402 337 B 23 GLY HAx B 24 PHE HDx 1.0 1.8 9.63 403 338 B 26 TYR HDy B 28 PRO HD3 1.0 1.8 11.86 404 338 B 26 TYR HDy B 28 PRO HD2 1.0 1.8 11.86 405 338 B 26 TYR HDx B 28 PRO HD3 1.0 1.8 11.86 406 338 B 26 TYR HDx B 28 PRO HD2 1.0 1.8 11.86 407 339 B 26 TYR HEy B 28 PRO HD3 1.0 1.8 11.86 408 339 B 26 TYR HEy B 28 PRO HD2 1.0 1.8 11.86 409 339 B 26 TYR HEx B 28 PRO HD3 1.0 1.8 11.86 410 339 B 26 TYR HEx B 28 PRO HD2 1.0 1.8 11.86 411 340 A 3 VAL HA B 26 TYR HEy 1.0 1.8 9.63 412 340 A 3 VAL HA B 26 TYR HEx 1.0 1.8 9.63 413 341 B 12 VAL HA B 26 TYR HEy 1.0 1.8 9.63 414 341 B 12 VAL HA B 26 TYR HEx 1.0 1.8 9.63 415 342 B 12 VAL HA B 11 LEU HG 1.0 1.8 5.96 416 343 B 12 VAL HA B 24 PHE HEy 1.0 1.8 9.63 417 343 B 12 VAL HA B 24 PHE HEx 1.0 1.8 9.63 418 344 A 7 CYS HB3 B 8 GLY H 1.0 1.8 6.50 419 345 B 14 ALA H B 13 GLU HG3 1.0 1.8 8.22 420 345 B 14 ALA H B 13 GLU HG2 1.0 1.8 8.22 421 346 B 21 GLU H B 21 GLU HG3 1.0 1.8 8.22 422 346 B 21 GLU H B 21 GLU HG2 1.0 1.8 8.22 423 347 B 16 TYR HBy B 17 LEU HG 1.0 1.8 7.66 424 347 B 16 TYR HBx B 17 LEU HG 1.0 1.8 7.66 425 348 B 17 LEU H B 17 LEU HG 1.0 1.8 3.58 426 349 B 17 LEU HG B 16 TYR HEy 1.0 1.8 9.63 427 349 B 17 LEU HG B 16 TYR HEx 1.0 1.8 9.63 428 350 B 15 LEU HBy B 24 PHE HDy 1.0 1.8 9.63 429 350 B 15 LEU HBy B 24 PHE HDx 1.0 1.8 9.63 430 351 B 16 TYR H B 15 LEU HG 1.0 1.8 5.28 431 352 B 15 LEU H B 11 LEU HG 1.0 1.8 5.28 432 353 B 2 VAL H B 1 PHE HDy 1.0 1.8 9.63 433 353 B 2 VAL H B 1 PHE HDx 1.0 1.8 9.63 434 354 A 2 ILE H A 2 ILE HD1% 1.0 1.8 8.15 435 355 A 2 ILE H A 2 ILE HG2% 1.0 1.8 5.69 436 356 A 3 VAL H A 3 VAL HGy% 1.0 1.8 7.03 437 357 A 16 LEU H A 16 LEU HD1% 1.0 1.8 8.20 438 358 B 6 LEU H B 6 LEU HDy% 1.0 1.8 8.71 439 359 B 14 ALA H B 14 ALA HB% 1.0 1.8 5.34 440 360 B 15 LEU H B 15 LEU HDy% 1.0 1.8 7.24 441 361 B 15 LEU H B 15 LEU HDx% 1.0 1.8 7.24 442 362 B 27 THR H B 27 THR HG2% 1.0 1.8 7.93 443 363 A 16 LEU HA A 16 LEU HD2% 1.0 1.8 6.80 444 364 A 16 LEU HA A 16 LEU HD1% 1.0 1.8 6.80 445 365 A 4 GLU H A 3 VAL HGy% 1.0 1.8 6.90 446 366 A 11 CYS H A 10 ILE HD1% 1.0 1.8 8.93 447 367 B 3 ASN H B 2 VAL CB 1.0 1.8 7.77 448 368 B 15 LEU HA B 15 LEU HDx% 1.0 1.8 7.67 449 369 B 15 LEU HA B 15 LEU HDy% 1.0 1.8 7.67 450 370 B 11 LEU HA B 14 ALA HB% 1.0 1.8 6.94 451 371 A 3 VAL H A 2 ILE HG2% 1.0 1.8 5.51 452 372 A 7 CYS H A 8 THR HG2% 1.0 1.8 8.63 453 373 A 11 CYS H A 10 ILE HG2% 1.0 1.8 6.64 454 374 B 16 TYR H B 14 ALA HB% 1.0 1.8 8.71 455 375 B 15 LEU H B 14 ALA HB% 1.0 1.8 5.72 456 376 B 19 CYS H B 18 VAL HGy% 1.0 1.8 6.68 457 377 B 19 CYS H B 18 VAL HGx% 1.0 1.8 6.68 458 378 A 3 VAL H A 3 VAL HGx% 1.0 1.8 7.03 459 379 B 18 VAL H B 18 VAL HGx% 1.0 1.8 6.25 460 380 B 6 LEU H B 6 LEU HDx% 1.0 1.8 8.71 461 381 B 18 VAL H B 18 VAL HGy% 1.0 1.8 6.25 462 382 B 5 HIS HE1 A 10 ILE HG2% 1.0 1.8 8.93 463 383 B 13 GLU H B 14 ALA HB% 1.0 1.8 7.33 464 384 B 24 PHE HDy B 15 LEU HDx% 1.0 1.8 12.83 465 384 B 24 PHE HDx B 15 LEU HDx% 1.0 1.8 12.83 466 385 B 24 PHE HDy B 15 LEU HDy% 1.0 1.8 12.83 467 385 B 24 PHE HDx B 15 LEU HDy% 1.0 1.8 12.83 468 386 B 5 HIS H A 10 ILE HD1% 1.0 1.8 8.23 469 387 B 5 HIS HE1 A 10 ILE HD1% 1.0 1.8 8.93 470 388 B 8 GLY H B 11 LEU HDx% 1.0 1.8 8.93 471 389 B 19 CYS HA B 18 VAL HGy% 1.0 1.8 8.67 472 390 A 7 CYS HA A 8 THR HG2% 1.0 1.8 8.93 473 391 A 9 SER HA A 8 THR HG2% 1.0 1.8 8.93 474 392 A 4 GLU HA A 8 THR HG2% 1.0 1.8 8.75 475 393 A 7 CYS HB2 A 8 THR HG2% 1.0 1.8 8.93 476 394 A 7 CYS HB3 A 8 THR HG2% 1.0 1.8 8.93 477 395 A 4 GLU HGx A 8 THR HG2% 1.0 1.8 8.93 478 396 A 8 THR HG2% A 4 GLU HBy 1.0 1.8 8.93 479 397 A 16 LEU HA B 15 LEU HDx% 1.0 1.8 8.93 480 398 A 16 LEU HA A 2 ILE HD1% 1.0 1.8 8.93 481 399 A 16 LEU H A 16 LEU HD2% 1.0 1.8 8.20 482 400 A 13 LEU HA A 13 LEU HD1% 1.0 1.8 6.85 483 401 A 13 LEU HA A 13 LEU HD2% 1.0 1.8 6.85 484 402 A 2 ILE HA A 2 ILE HD1% 1.0 1.8 8.07 485 403 B 14 ALA HB% B 6 LEU HDx% 1.0 1.8 10.64 486 404 A 4 GLU H A 3 VAL HGx% 1.0 1.8 6.90 487 405 A 4 GLU H A 8 THR HG2% 1.0 1.8 8.93 488 406 B 5 HIS HE1 A 8 THR HG2% 1.0 1.8 8.93 489 407 A 13 LEU H A 13 LEU HD2% 1.0 1.8 8.41 490 408 B 5 HIS H A 10 ILE HG2% 1.0 1.8 8.93 491 409 B 3 ASN H A 10 ILE HG2% 1.0 1.8 8.93 492 410 B 4 GLN H A 10 ILE HG2% 1.0 1.8 7.63 493 411 B 12 VAL HA B 15 LEU HDy% 1.0 1.8 8.93 494 412 A 3 VAL H A 2 ILE HD1% 1.0 1.8 8.88 495 413 B 3 ASN HBy A 10 ILE HG2% 1.0 1.8 8.93 496 414 B 3 ASN HBx A 10 ILE HG2% 1.0 1.8 8.93 497 415 B 4 GLN H A 10 ILE HD1% 1.0 1.8 8.41 498 416 B 25 PHE HDx B 27 THR HG2% 1.0 1.8 12.83 499 416 B 25 PHE HDy B 27 THR HG2% 1.0 1.8 12.83 500 417 A 8 THR HG2% A 4 GLU HBx 1.0 1.8 8.93 501 418 B 12 VAL HA B 11 LEU HDx% 1.0 1.8 8.93 502 419 B 18 VAL HGy% A 17 GLU HGx 1.0 1.8 8.93 503 420 B 19 CYS HA B 18 VAL HGx% 1.0 1.8 8.67 504 421 B 3 ASN HA A 10 ILE HG2% 1.0 1.8 8.58 505 422 B 18 VAL H B 14 ALA HB% 1.0 1.8 8.85 506 423 B 8 GLY H A 3 VAL HGx% 1.0 1.8 8.93 507 424 B 8 GLY H A 3 VAL HGy% 1.0 1.8 8.93 508 425 B 8 GLY H B 11 LEU HDy% 1.0 1.8 8.93 509 426 B 9 SER H B 11 LEU HDy% 1.0 1.8 8.93 510 427 A 13 LEU H A 13 LEU HD1% 1.0 1.8 8.41 511 428 A 12 SER H A 16 LEU HD1% 1.0 1.8 8.93 512 429 A 12 SER H A 16 LEU HD2% 1.0 1.8 8.93 513 430 B 19 CYS H B 15 LEU HDx% 1.0 1.8 8.93 514 431 B 19 CYS H B 15 LEU HDy% 1.0 1.8 8.93 515 432 B 3 ASN H A 10 ILE HD1% 1.0 1.8 8.93 516 433 A 5 GLN H A 8 THR HG2% 1.0 1.8 8.93 517 434 B 16 TYR H B 15 LEU HDx% 1.0 1.8 8.93 518 435 B 16 TYR H B 15 LEU HDy% 1.0 1.8 8.93 519 436 A 9 SER HA A 10 ILE HG2% 1.0 1.8 8.93 520 437 A 12 SER HA A 10 ILE HG2% 1.0 1.8 8.93 521 438 A 12 SER HA A 10 ILE HD1% 1.0 1.8 8.93 522 439 B 26 TYR HA A 2 ILE HG2% 1.0 1.8 8.93 523 440 B 10 HIS HA B 14 ALA HB% 1.0 1.8 8.93 524 441 B 1 PHE HA B 2 VAL CB 1.0 1.8 8.60 525 442 A 16 LEU HA B 15 LEU HDy% 1.0 1.8 8.93 526 443 B 28 PRO HD2 B 27 THR HG2% 1.0 1.8 11.16 527 443 B 28 PRO HD3 B 27 THR HG2% 1.0 1.8 11.16 528 444 B 12 VAL HA B 14 ALA HB% 1.0 1.8 8.93 529 445 B 12 VAL HA B 15 LEU HDx% 1.0 1.8 8.93 530 446 B 12 VAL HA B 11 LEU HDy% 1.0 1.8 8.93 531 447 B 18 VAL HGy% A 17 GLU HGy 1.0 1.8 8.93 532 448 B 18 VAL HGx% A 17 GLU HGy 1.0 1.8 8.93 533 449 A 4 GLU HGy A 8 THR HG2% 1.0 1.8 8.93 534 450 B 18 VAL HGx% A 17 GLU HGx 1.0 1.8 8.93 535 451 A 15 GLN HBy A 2 ILE HD1% 1.0 1.8 8.93 536 452 B 18 VAL HB B 14 ALA HB% 1.0 1.8 8.93 537 453 A 15 GLN HBx A 2 ILE HD1% 1.0 1.8 8.93 538 454 A 16 LEU HG A 2 ILE HD1% 1.0 1.8 8.93 539 455 B 14 ALA HB% B 15 LEU HDx% 1.0 1.8 12.10 540 456 B 14 ALA HB% B 15 LEU HDy% 1.0 1.8 12.10 541 457 B 14 ALA HB% B 17 LEU HDx% 1.0 1.8 11.58 542 458 B 14 ALA HB% B 17 LEU HDy% 1.0 1.8 11.58 543 459 B 11 LEU HG A 2 ILE HD1% 1.0 1.8 8.11 544 460 B 6 LEU HDy% B 14 ALA HB% 1.0 1.8 10.64 545 461 A 2 ILE H A 2 ILE HG1y 1.0 1.8 5.92 546 461 A 2 ILE H A 2 ILE HG1x 1.0 1.8 5.92 547 462 A 2 ILE H A 3 VAL CB 1.0 1.8 6.15 548 463 A 5 GLN HBx A 2 ILE HA 1.0 1.8 5.32 549 463 A 5 GLN HBy A 2 ILE HA 1.0 1.8 5.32 550 464 A 11 CYS HBx A 2 ILE HB 1.0 1.8 7.02 551 464 A 2 ILE HB A 11 CYS HBy 1.0 1.8 7.02 552 465 A 3 VAL H A 2 ILE HG1y 1.0 1.8 7.02 553 465 A 3 VAL H A 2 ILE HG1x 1.0 1.8 7.02 554 466 A 19 TYR HDy A 2 ILE HG1y 1.0 1.8 10.29 555 466 A 19 TYR HDx A 2 ILE HG1y 1.0 1.8 10.29 556 466 A 19 TYR HDy A 2 ILE HG1x 1.0 1.8 10.29 557 466 A 19 TYR HDx A 2 ILE HG1x 1.0 1.8 10.29 558 467 A 19 TYR HEx A 2 ILE HG1y 1.0 1.8 10.30 559 467 A 19 TYR HEy A 2 ILE HG1x 1.0 1.8 10.30 560 467 A 19 TYR HEx A 2 ILE HG1x 1.0 1.8 10.30 561 467 A 19 TYR HEy A 2 ILE HG1y 1.0 1.8 10.30 562 468 A 5 GLN HBy A 2 ILE HD1% 1.0 1.8 9.60 563 468 A 5 GLN HBx A 2 ILE HD1% 1.0 1.8 9.60 564 469 A 3 VAL H A 3 VAL CB 1.0 1.8 4.60 565 470 A 3 VAL HA A 6 CYS HB3 1.0 1.8 5.73 566 470 A 3 VAL HA A 6 CYS HB2 1.0 1.8 5.73 567 471 A 3 VAL HA B 11 LEU CG 1.0 1.8 6.36 568 472 A 4 GLU H A 3 VAL CB 1.0 1.8 5.16 569 473 A 4 GLU HBx A 3 VAL CB 1.0 1.8 6.86 570 473 A 4 GLU HBy A 3 VAL CB 1.0 1.8 6.86 571 474 A 4 GLU HGx A 3 VAL CB 1.0 1.8 7.93 572 474 A 4 GLU HGy A 3 VAL CB 1.0 1.8 7.93 573 475 A 7 CYS H A 3 VAL CB 1.0 1.8 7.40 574 476 A 3 VAL CB B 27 THR HA 1.0 1.8 7.40 575 477 A 4 GLU H A 4 GLU HBx 1.0 1.8 4.34 576 477 A 4 GLU H A 4 GLU HBy 1.0 1.8 4.34 577 478 A 4 GLU H A 4 GLU HGx 1.0 1.8 5.58 578 478 A 4 GLU H A 4 GLU HGy 1.0 1.8 5.58 579 479 A 4 GLU HBx B 29 LYS HG3 1.0 1.8 8.85 580 479 A 4 GLU HBx B 29 LYS HG2 1.0 1.8 8.85 581 479 A 4 GLU HBy B 29 LYS HG3 1.0 1.8 8.85 582 479 A 4 GLU HBy B 29 LYS HG2 1.0 1.8 8.85 583 480 A 5 GLN H A 4 GLU HGx 1.0 1.8 7.02 584 480 A 5 GLN H A 4 GLU HGy 1.0 1.8 7.02 585 481 A 4 GLU HGx B 29 LYS HG3 1.0 1.8 8.85 586 481 A 4 GLU HGx B 29 LYS HG2 1.0 1.8 8.85 587 481 A 4 GLU HGy B 29 LYS HG3 1.0 1.8 8.85 588 481 A 4 GLU HGy B 29 LYS HG2 1.0 1.8 8.85 589 482 A 5 GLN H A 5 GLN HBx 1.0 1.8 3.43 590 482 A 5 GLN H A 5 GLN HBy 1.0 1.8 3.43 591 483 A 5 GLN HBx A 6 CYS H 1.0 1.8 4.70 592 483 A 5 GLN HBy A 6 CYS H 1.0 1.8 4.70 593 484 A 5 GLN HBx A 6 CYS HA 1.0 1.8 5.78 594 484 A 5 GLN HBy A 6 CYS HA 1.0 1.8 5.78 595 485 A 11 CYS HBx A 5 GLN HGx 1.0 1.8 7.03 596 485 A 11 CYS HBy A 5 GLN HGx 1.0 1.8 7.03 597 485 A 11 CYS HBx A 5 GLN HGy 1.0 1.8 7.03 598 485 A 11 CYS HBy A 5 GLN HGy 1.0 1.8 7.03 599 486 A 6 CYS H A 6 CYS HB3 1.0 1.8 3.70 600 486 A 6 CYS HB2 A 6 CYS H 1.0 1.8 3.70 601 487 A 7 CYS HB3 A 6 CYS H 1.0 1.8 5.73 602 487 A 7 CYS HB2 A 6 CYS H 1.0 1.8 5.73 603 488 A 11 CYS HBx A 6 CYS H 1.0 1.8 6.00 604 488 A 11 CYS HBy A 6 CYS H 1.0 1.8 6.00 605 489 A 6 CYS H B 11 LEU CG 1.0 1.8 7.40 606 490 A 11 CYS HBx A 6 CYS HA 1.0 1.8 7.02 607 490 A 11 CYS HBy A 6 CYS HA 1.0 1.8 7.02 608 491 A 7 CYS H A 6 CYS HB3 1.0 1.8 4.20 609 491 A 7 CYS H A 6 CYS HB2 1.0 1.8 4.20 610 492 A 7 CYS HB2 A 6 CYS HB3 1.0 1.8 7.57 611 492 A 7 CYS HB3 A 6 CYS HB3 1.0 1.8 7.57 612 492 A 7 CYS HB3 A 6 CYS HB2 1.0 1.8 7.57 613 492 A 7 CYS HB2 A 6 CYS HB2 1.0 1.8 7.57 614 493 A 11 CYS H A 6 CYS HB3 1.0 1.8 7.02 615 493 A 11 CYS H A 6 CYS HB2 1.0 1.8 7.02 616 494 B 6 LEU H A 6 CYS HB3 1.0 1.8 5.54 617 494 B 6 LEU H A 6 CYS HB2 1.0 1.8 5.54 618 495 B 6 LEU HB2 A 6 CYS HB3 1.0 1.8 7.57 619 495 B 6 LEU HB3 A 6 CYS HB3 1.0 1.8 7.57 620 495 B 6 LEU HB3 A 6 CYS HB2 1.0 1.8 7.57 621 495 B 6 LEU HB2 A 6 CYS HB2 1.0 1.8 7.57 622 496 A 6 CYS HB3 B 6 LEU CG 1.0 1.8 7.93 623 496 A 6 CYS HB2 B 6 LEU CG 1.0 1.8 7.93 624 497 A 6 CYS HB3 B 11 LEU CG 1.0 1.8 7.26 625 497 A 6 CYS HB2 B 11 LEU CG 1.0 1.8 7.26 626 498 A 7 CYS H A 7 CYS HB3 1.0 1.8 3.73 627 498 A 7 CYS H A 7 CYS HB2 1.0 1.8 3.73 628 499 B 5 HIS HB3 A 7 CYS HA 1.0 1.8 6.11 629 499 B 5 HIS HB2 A 7 CYS HA 1.0 1.8 6.11 630 500 A 7 CYS HB3 A 8 THR H 1.0 1.8 3.96 631 500 A 8 THR H A 7 CYS HB2 1.0 1.8 3.96 632 501 A 7 CYS HB3 A 8 THR HG2% 1.0 1.8 8.84 633 501 A 7 CYS HB2 A 8 THR HG2% 1.0 1.8 8.84 634 502 A 7 CYS HB3 B 6 LEU H 1.0 1.8 7.02 635 502 B 6 LEU H A 7 CYS HB2 1.0 1.8 7.02 636 503 A 7 CYS HB3 B 7 CYS HA 1.0 1.8 5.60 637 503 B 7 CYS HA A 7 CYS HB2 1.0 1.8 5.60 638 504 A 7 CYS HB3 B 7 CYS HB2 1.0 1.8 7.03 639 504 A 7 CYS HB3 B 7 CYS HB3 1.0 1.8 7.03 640 504 B 7 CYS HB3 A 7 CYS HB2 1.0 1.8 7.03 641 504 B 7 CYS HB2 A 7 CYS HB2 1.0 1.8 7.03 642 505 A 8 THR HG2% A 9 SER HBy 1.0 1.8 8.76 643 505 A 8 THR HG2% A 9 SER HBx 1.0 1.8 8.76 644 506 A 9 SER HA A 10 ILE HG1x 1.0 1.8 7.02 645 506 A 9 SER HA A 10 ILE HG1y 1.0 1.8 7.02 646 507 A 10 ILE H A 9 SER HBx 1.0 1.8 4.39 647 507 A 10 ILE H A 9 SER HBy 1.0 1.8 4.39 648 508 A 10 ILE H A 10 ILE HG1x 1.0 1.8 5.58 649 508 A 10 ILE H A 10 ILE HG1y 1.0 1.8 5.58 650 509 B 4 GLN HBx A 10 ILE HG2% 1.0 1.8 9.60 651 509 B 4 GLN HBy A 10 ILE HG2% 1.0 1.8 9.60 652 510 B 5 HIS HE1 A 10 ILE HG1x 1.0 1.8 7.02 653 510 B 5 HIS HE1 A 10 ILE HG1y 1.0 1.8 7.02 654 511 B 5 HIS HB3 A 10 ILE HD1% 1.0 1.8 9.60 655 511 B 5 HIS HB2 A 10 ILE HD1% 1.0 1.8 9.60 656 512 A 15 GLN HBx A 11 CYS HA 1.0 1.8 6.88 657 512 A 15 GLN HBy A 11 CYS HA 1.0 1.8 6.88 658 513 A 11 CYS HBx A 12 SER H 1.0 1.8 4.04 659 513 A 11 CYS HBy A 12 SER H 1.0 1.8 4.04 660 514 A 11 CYS HBx A 15 GLN HBx 1.0 1.8 6.86 661 514 A 11 CYS HBx A 15 GLN HBy 1.0 1.8 6.86 662 514 A 15 GLN HBx A 11 CYS HBy 1.0 1.8 6.86 663 514 A 11 CYS HBy A 15 GLN HBy 1.0 1.8 6.86 664 515 A 11 CYS HBx A 15 GLN HGy 1.0 1.8 7.27 665 515 A 11 CYS HBy A 15 GLN HGx 1.0 1.8 7.27 666 515 A 11 CYS HBy A 15 GLN HGy 1.0 1.8 7.27 667 515 A 11 CYS HBx A 15 GLN HGx 1.0 1.8 7.27 668 516 A 12 SER H A 12 SER HB3 1.0 1.8 3.80 669 516 A 12 SER H A 12 SER HB2 1.0 1.8 3.80 670 517 A 15 GLN HBx A 12 SER H 1.0 1.8 4.06 671 517 A 12 SER H A 15 GLN HBy 1.0 1.8 4.06 672 518 A 12 SER H A 15 GLN HGx 1.0 1.8 5.23 673 518 A 12 SER H A 15 GLN HGy 1.0 1.8 5.23 674 519 A 12 SER H A 15 GLN HE2y 1.0 1.8 7.02 675 519 A 12 SER H A 15 GLN HE2x 1.0 1.8 7.02 676 520 A 12 SER HA A 13 LEU CG 1.0 1.8 7.40 677 521 A 13 LEU H A 12 SER HB3 1.0 1.8 4.04 678 521 A 13 LEU H A 12 SER HB2 1.0 1.8 4.04 679 522 A 13 LEU HBx A 12 SER HB3 1.0 1.8 7.57 680 522 A 13 LEU HBy A 12 SER HB3 1.0 1.8 7.57 681 522 A 13 LEU HBx A 12 SER HB2 1.0 1.8 7.57 682 522 A 13 LEU HBy A 12 SER HB2 1.0 1.8 7.57 683 523 A 14 TYR H A 12 SER HB3 1.0 1.8 4.32 684 523 A 14 TYR H A 12 SER HB2 1.0 1.8 4.32 685 524 A 15 GLN H A 12 SER HB3 1.0 1.8 5.39 686 524 A 15 GLN H A 12 SER HB2 1.0 1.8 5.39 687 525 A 13 LEU H A 13 LEU HBx 1.0 1.8 3.62 688 525 A 13 LEU H A 13 LEU HBy 1.0 1.8 3.62 689 526 A 13 LEU H A 13 LEU CG 1.0 1.8 6.19 690 527 A 13 LEU H A 14 TYR HBx 1.0 1.8 6.38 691 527 A 13 LEU H A 14 TYR HBy 1.0 1.8 6.38 692 528 A 13 LEU HA A 16 LEU HBx 1.0 1.8 4.38 693 528 A 13 LEU HA A 16 LEU HBy 1.0 1.8 4.38 694 529 A 13 LEU HBx A 14 TYR H 1.0 1.8 4.07 695 529 A 14 TYR H A 13 LEU HBy 1.0 1.8 4.07 696 530 A 13 LEU HBx A 14 TYR HA 1.0 1.8 5.04 697 530 A 14 TYR HA A 13 LEU HBy 1.0 1.8 5.04 698 531 A 13 LEU HBx A 14 TYR HDx 1.0 1.8 10.29 699 531 A 13 LEU HBy A 14 TYR HDy 1.0 1.8 10.29 700 531 A 13 LEU HBy A 14 TYR HDx 1.0 1.8 10.29 701 531 A 13 LEU HBx A 14 TYR HDy 1.0 1.8 10.29 702 532 A 13 LEU HBx A 15 GLN H 1.0 1.8 6.94 703 532 A 15 GLN H A 13 LEU HBy 1.0 1.8 6.94 704 533 A 13 LEU HBx A 17 GLU H 1.0 1.8 5.85 705 533 A 17 GLU H A 13 LEU HBy 1.0 1.8 5.85 706 534 A 13 LEU HBx B 18 VAL CB 1.0 1.8 7.93 707 534 A 13 LEU HBy B 18 VAL CB 1.0 1.8 7.93 708 535 B 3 ASN H A 13 LEU CG 1.0 1.8 7.40 709 536 B 4 GLN HBx A 13 LEU CG 1.0 1.8 7.55 710 536 B 4 GLN HBy A 13 LEU CG 1.0 1.8 7.55 711 537 A 14 TYR HA A 17 GLU HBx 1.0 1.8 3.67 712 537 A 14 TYR HA A 17 GLU HBy 1.0 1.8 3.67 713 538 A 14 TYR HA B 18 VAL CB 1.0 1.8 7.55 714 539 A 14 TYR HBx A 15 GLN HA 1.0 1.8 5.63 715 539 A 14 TYR HBy A 15 GLN HA 1.0 1.8 5.63 716 540 A 14 TYR HBx A 15 GLN HGx 1.0 1.8 7.03 717 540 A 14 TYR HBx A 15 GLN HGy 1.0 1.8 7.03 718 540 A 14 TYR HBy A 15 GLN HGx 1.0 1.8 7.03 719 540 A 14 TYR HBy A 15 GLN HGy 1.0 1.8 7.03 720 541 A 17 GLU HBy A 14 TYR HDy 1.0 1.8 10.29 721 541 A 17 GLU HBx A 14 TYR HDy 1.0 1.8 10.29 722 541 A 17 GLU HBx A 14 TYR HDx 1.0 1.8 10.29 723 541 A 17 GLU HBy A 14 TYR HDx 1.0 1.8 10.29 724 542 A 15 GLN H A 15 GLN HBx 1.0 1.8 3.79 725 542 A 15 GLN H A 15 GLN HBy 1.0 1.8 3.79 726 543 A 15 GLN H A 15 GLN HGx 1.0 1.8 4.32 727 543 A 15 GLN H A 15 GLN HGy 1.0 1.8 4.32 728 544 A 15 GLN H A 15 GLN HE2y 1.0 1.8 6.83 729 544 A 15 GLN H A 15 GLN HE2x 1.0 1.8 6.83 730 545 A 15 GLN H A 16 LEU HBx 1.0 1.8 5.78 731 545 A 15 GLN H A 16 LEU HBy 1.0 1.8 5.78 732 546 A 18 ASN HBx A 15 GLN HA 1.0 1.8 5.01 733 546 A 18 ASN HBy A 15 GLN HA 1.0 1.8 5.01 734 547 A 15 GLN HA A 18 ASN HD2y 1.0 1.8 6.49 735 547 A 15 GLN HA A 18 ASN HD2x 1.0 1.8 6.49 736 548 A 15 GLN HBx A 16 LEU HBx 1.0 1.8 7.57 737 548 A 15 GLN HBx A 16 LEU HBy 1.0 1.8 7.57 738 548 A 16 LEU HBx A 15 GLN HBy 1.0 1.8 7.57 739 548 A 16 LEU HBy A 15 GLN HBy 1.0 1.8 7.57 740 549 A 15 GLN HBx A 16 LEU HG 1.0 1.8 7.02 741 549 A 15 GLN HBy A 16 LEU HG 1.0 1.8 7.02 742 550 A 15 GLN HBx A 16 LEU CG 1.0 1.8 7.26 743 550 A 15 GLN HBy A 16 LEU CG 1.0 1.8 7.26 744 551 A 16 LEU H A 15 GLN HGx 1.0 1.8 6.04 745 551 A 16 LEU H A 15 GLN HGy 1.0 1.8 6.04 746 552 A 16 LEU H A 16 LEU HBx 1.0 1.8 3.74 747 552 A 16 LEU H A 16 LEU HBy 1.0 1.8 3.74 748 553 A 16 LEU H A 16 LEU CG 1.0 1.8 6.12 749 554 A 19 TYR HB3 A 16 LEU HA 1.0 1.8 5.47 750 554 A 19 TYR HB2 A 16 LEU HA 1.0 1.8 5.47 751 555 A 17 GLU H A 16 LEU HBx 1.0 1.8 3.97 752 555 A 17 GLU H A 16 LEU HBy 1.0 1.8 3.97 753 556 A 16 LEU HBx B 15 LEU CG 1.0 1.8 6.25 754 556 A 16 LEU HBy B 15 LEU CG 1.0 1.8 6.25 755 557 A 16 LEU HBx B 18 VAL CB 1.0 1.8 7.52 756 557 A 16 LEU HBy B 18 VAL CB 1.0 1.8 7.52 757 558 A 17 GLU H A 17 GLU HBx 1.0 1.8 3.54 758 558 A 17 GLU H A 17 GLU HBy 1.0 1.8 3.54 759 559 A 17 GLU H A 17 GLU HGx 1.0 1.8 5.00 760 559 A 17 GLU H A 17 GLU HGy 1.0 1.8 5.00 761 560 A 17 GLU H B 18 VAL CB 1.0 1.8 7.40 762 561 A 20 CYS HBx A 17 GLU HA 1.0 1.8 5.85 763 561 A 20 CYS HBy A 17 GLU HA 1.0 1.8 5.85 764 562 A 17 GLU HBx A 18 ASN H 1.0 1.8 4.48 765 562 A 18 ASN H A 17 GLU HBy 1.0 1.8 4.48 766 563 A 17 GLU HBx B 18 VAL CB 1.0 1.8 6.03 767 563 A 17 GLU HBy B 18 VAL CB 1.0 1.8 6.03 768 564 A 18 ASN H A 17 GLU HGx 1.0 1.8 6.49 769 564 A 18 ASN H A 17 GLU HGy 1.0 1.8 6.49 770 565 A 17 GLU HGx B 18 VAL CB 1.0 1.8 6.40 771 565 A 17 GLU HGy B 18 VAL CB 1.0 1.8 6.40 772 566 A 18 ASN H A 18 ASN HD2y 1.0 1.8 7.02 773 566 A 18 ASN H A 18 ASN HD2x 1.0 1.8 7.02 774 567 A 19 TYR H A 18 ASN HBx 1.0 1.8 4.61 775 567 A 19 TYR H A 18 ASN HBy 1.0 1.8 4.61 776 568 A 19 TYR HB3 A 19 TYR H 1.0 1.8 3.67 777 568 A 19 TYR H A 19 TYR HB2 1.0 1.8 3.67 778 569 A 20 CYS HBx A 19 TYR H 1.0 1.8 5.78 779 569 A 19 TYR H A 20 CYS HBy 1.0 1.8 5.78 780 570 A 20 CYS H A 19 TYR HB3 1.0 1.8 4.72 781 570 A 20 CYS H A 19 TYR HB2 1.0 1.8 4.72 782 571 A 19 TYR HB3 B 15 LEU CG 1.0 1.8 6.99 783 571 A 19 TYR HB2 B 15 LEU CG 1.0 1.8 6.99 784 572 B 25 PHE H A 19 TYR HB3 1.0 1.8 5.01 785 572 B 25 PHE H A 19 TYR HB2 1.0 1.8 5.01 786 573 A 20 CYS H A 20 CYS HBx 1.0 1.8 4.06 787 573 A 20 CYS H A 20 CYS HBy 1.0 1.8 4.06 788 574 A 20 CYS HBx A 20 CYS HA 1.0 1.8 3.29 789 574 A 20 CYS HA A 20 CYS HBy 1.0 1.8 3.29 790 575 A 20 CYS HA B 24 PHE HBx 1.0 1.8 7.02 791 575 A 20 CYS HA B 24 PHE HBy 1.0 1.8 7.02 792 576 A 20 CYS HBx A 21 ASN H 1.0 1.8 4.78 793 576 A 21 ASN H A 20 CYS HBy 1.0 1.8 4.78 794 577 A 20 CYS HBx A 21 ASN HA 1.0 1.8 5.54 795 577 A 20 CYS HBy A 21 ASN HA 1.0 1.8 5.54 796 578 A 20 CYS HBx B 19 CYS H 1.0 1.8 7.02 797 578 B 19 CYS H A 20 CYS HBy 1.0 1.8 7.02 798 579 A 20 CYS HBx B 22 ARG HBx 1.0 1.8 7.03 799 579 A 20 CYS HBx B 22 ARG HBy 1.0 1.8 7.03 800 579 A 20 CYS HBy B 22 ARG HBx 1.0 1.8 7.03 801 579 A 20 CYS HBy B 22 ARG HBy 1.0 1.8 7.03 802 580 A 20 CYS HBx B 22 ARG HG2 1.0 1.8 8.85 803 580 A 20 CYS HBx B 22 ARG HG3 1.0 1.8 8.85 804 580 A 20 CYS HBy B 22 ARG HG3 1.0 1.8 8.85 805 580 A 20 CYS HBy B 22 ARG HG2 1.0 1.8 8.85 806 581 A 20 CYS HBx B 22 ARG HE 1.0 1.8 7.02 807 581 A 20 CYS HBy B 22 ARG HE 1.0 1.8 7.02 808 582 A 20 CYS HBx B 23 GLY H 1.0 1.8 7.02 809 582 A 20 CYS HBy B 23 GLY H 1.0 1.8 7.02 810 583 A 21 ASN H A 21 ASN HBx 1.0 1.8 4.07 811 583 A 21 ASN H A 21 ASN HBy 1.0 1.8 4.07 812 584 A 21 ASN H A 21 ASN HD2y 1.0 1.8 5.90 813 584 A 21 ASN H A 21 ASN HD2x 1.0 1.8 5.90 814 585 A 21 ASN HBx B 22 ARG HBy 1.0 1.8 7.57 815 585 B 22 ARG HBx A 21 ASN HBy 1.0 1.8 7.57 816 585 B 22 ARG HBy A 21 ASN HBy 1.0 1.8 7.57 817 585 A 21 ASN HBx B 22 ARG HBx 1.0 1.8 7.57 818 586 B 2 VAL H B 4 GLN HGx 1.0 1.8 7.52 819 586 B 2 VAL H B 4 GLN HGy 1.0 1.8 7.52 820 587 B 3 ASN HBx B 2 VAL HA 1.0 1.8 6.11 821 587 B 3 ASN HBy B 2 VAL HA 1.0 1.8 6.11 822 588 B 3 ASN H B 3 ASN HBx 1.0 1.8 4.48 823 588 B 3 ASN H B 3 ASN HBy 1.0 1.8 4.48 824 589 B 3 ASN HA B 4 GLN HBx 1.0 1.8 5.98 825 589 B 3 ASN HA B 4 GLN HBy 1.0 1.8 5.98 826 590 B 3 ASN HA B 6 LEU CG 1.0 1.8 7.40 827 591 B 4 GLN H B 3 ASN HD2y 1.0 1.8 7.02 828 591 B 4 GLN H B 3 ASN HD2x 1.0 1.8 7.02 829 592 B 4 GLN H B 4 GLN HBx 1.0 1.8 4.14 830 592 B 4 GLN H B 4 GLN HBy 1.0 1.8 4.14 831 593 B 4 GLN H B 4 GLN HE2y 1.0 1.8 7.02 832 593 B 4 GLN H B 4 GLN HE2x 1.0 1.8 7.02 833 594 B 4 GLN HA B 4 GLN HE2y 1.0 1.8 7.02 834 594 B 4 GLN HA B 4 GLN HE2x 1.0 1.8 7.02 835 595 B 4 GLN HA B 5 HIS HB3 1.0 1.8 7.02 836 595 B 4 GLN HA B 5 HIS HB2 1.0 1.8 7.02 837 596 B 4 GLN HBx B 5 HIS H 1.0 1.8 3.84 838 596 B 5 HIS H B 4 GLN HBy 1.0 1.8 3.84 839 597 B 4 GLN HBx B 6 LEU HG 1.0 1.8 7.02 840 597 B 4 GLN HBy B 6 LEU HG 1.0 1.8 7.02 841 598 B 4 GLN HBx B 6 LEU CG 1.0 1.8 7.93 842 598 B 4 GLN HBy B 6 LEU CG 1.0 1.8 7.93 843 599 B 5 HIS H B 5 HIS HB3 1.0 1.8 3.60 844 599 B 5 HIS H B 5 HIS HB2 1.0 1.8 3.60 845 600 B 6 LEU HB3 B 5 HIS H 1.0 1.8 6.64 846 600 B 6 LEU HB2 B 5 HIS H 1.0 1.8 6.64 847 601 B 6 LEU H B 6 LEU HB3 1.0 1.8 4.01 848 601 B 6 LEU H B 6 LEU HB2 1.0 1.8 4.01 849 602 B 6 LEU H B 6 LEU CG 1.0 1.8 6.42 850 603 B 6 LEU H B 11 LEU CG 1.0 1.8 7.40 851 604 B 6 LEU HB3 B 7 CYS H 1.0 1.8 4.28 852 604 B 6 LEU HB2 B 7 CYS H 1.0 1.8 4.28 853 605 B 6 LEU HB3 B 11 LEU HA 1.0 1.8 7.02 854 605 B 6 LEU HB2 B 11 LEU HA 1.0 1.8 7.02 855 606 B 6 LEU HB3 B 11 LEU HBy 1.0 1.8 6.50 856 606 B 6 LEU HB3 B 11 LEU HBx 1.0 1.8 6.50 857 606 B 6 LEU HB2 B 11 LEU HBx 1.0 1.8 6.50 858 606 B 6 LEU HB2 B 11 LEU HBy 1.0 1.8 6.50 859 607 B 6 LEU HB3 B 11 LEU CG 1.0 1.8 6.00 860 607 B 6 LEU HB2 B 11 LEU CG 1.0 1.8 6.00 861 608 B 7 CYS H B 6 LEU CG 1.0 1.8 5.49 862 609 B 10 HIS HB3 B 6 LEU CG 1.0 1.8 7.26 863 609 B 10 HIS HB2 B 6 LEU CG 1.0 1.8 7.26 864 610 B 14 ALA HB% B 6 LEU CG 1.0 1.8 7.72 865 611 B 7 CYS H B 7 CYS HB3 1.0 1.8 4.01 866 611 B 7 CYS H B 7 CYS HB2 1.0 1.8 4.01 867 612 B 7 CYS H B 10 HIS HB3 1.0 1.8 4.19 868 612 B 7 CYS H B 10 HIS HB2 1.0 1.8 4.19 869 613 B 7 CYS HA B 8 GLY HAx 1.0 1.8 5.90 870 613 B 8 GLY HAy B 7 CYS HA 1.0 1.8 5.90 871 614 B 11 LEU HBx B 7 CYS HA 1.0 1.8 4.81 872 614 B 7 CYS HA B 11 LEU HBy 1.0 1.8 4.81 873 615 B 7 CYS HA B 11 LEU CG 1.0 1.8 6.36 874 616 B 8 GLY H B 7 CYS HB3 1.0 1.8 4.21 875 616 B 8 GLY H B 7 CYS HB2 1.0 1.8 4.21 876 617 B 8 GLY H B 8 GLY HAx 1.0 1.8 3.38 877 617 B 8 GLY H B 8 GLY HAy 1.0 1.8 3.38 878 618 B 11 LEU HBx B 8 GLY H 1.0 1.8 5.15 879 618 B 8 GLY H B 11 LEU HBy 1.0 1.8 5.15 880 619 B 9 SER H B 8 GLY HAx 1.0 1.8 3.54 881 619 B 9 SER H B 8 GLY HAy 1.0 1.8 3.54 882 620 B 9 SER H B 10 HIS HB3 1.0 1.8 5.92 883 620 B 9 SER H B 10 HIS HB2 1.0 1.8 5.92 884 621 B 9 SER H B 12 VAL CB 1.0 1.8 7.40 885 622 B 10 HIS H B 10 HIS HB3 1.0 1.8 3.82 886 622 B 10 HIS H B 10 HIS HB2 1.0 1.8 3.82 887 623 B 13 GLU HBx B 10 HIS HA 1.0 1.8 4.41 888 623 B 10 HIS HA B 13 GLU HBy 1.0 1.8 4.41 889 624 B 10 HIS HB3 B 11 LEU HA 1.0 1.8 6.04 890 624 B 10 HIS HB2 B 11 LEU HA 1.0 1.8 6.04 891 625 B 10 HIS HB2 B 14 ALA HB% 1.0 1.8 9.60 892 625 B 10 HIS HB3 B 14 ALA HB% 1.0 1.8 9.60 893 626 B 11 LEU HBx B 11 LEU H 1.0 1.8 3.80 894 626 B 11 LEU H B 11 LEU HBy 1.0 1.8 3.80 895 627 B 11 LEU HBx B 11 LEU HA 1.0 1.8 3.44 896 627 B 11 LEU HBy B 11 LEU HA 1.0 1.8 3.44 897 628 B 12 VAL H B 11 LEU HBx 1.0 1.8 4.15 898 628 B 12 VAL H B 11 LEU HBy 1.0 1.8 4.15 899 629 B 11 LEU HBx B 12 VAL HA 1.0 1.8 6.36 900 629 B 12 VAL HA B 11 LEU HBy 1.0 1.8 6.36 901 630 B 11 LEU HG B 15 LEU CG 1.0 1.8 6.19 902 631 B 15 LEU HBx B 12 VAL HA 1.0 1.8 5.55 903 631 B 12 VAL HA B 15 LEU HBy 1.0 1.8 5.55 904 632 B 12 VAL HA B 15 LEU CG 1.0 1.8 6.19 905 633 B 26 TYR HBx B 12 VAL CB 1.0 1.8 7.93 906 633 B 26 TYR HBy B 12 VAL CB 1.0 1.8 7.93 907 634 B 13 GLU HBx B 13 GLU H 1.0 1.8 3.74 908 634 B 13 GLU H B 13 GLU HBy 1.0 1.8 3.74 909 635 B 15 LEU H B 15 LEU HBx 1.0 1.8 3.46 910 635 B 15 LEU H B 15 LEU HBy 1.0 1.8 3.46 911 636 B 15 LEU H B 18 VAL CB 1.0 1.8 7.40 912 637 B 15 LEU HA B 18 VAL CB 1.0 1.8 5.88 913 638 B 15 LEU HBx B 16 TYR H 1.0 1.8 3.88 914 638 B 16 TYR H B 15 LEU HBy 1.0 1.8 3.88 915 639 B 15 LEU HBx B 16 TYR HBx 1.0 1.8 8.84 916 639 B 15 LEU HBx B 16 TYR HBy 1.0 1.8 8.84 917 639 B 16 TYR HBy B 15 LEU HBy 1.0 1.8 8.84 918 639 B 16 TYR HBx B 15 LEU HBy 1.0 1.8 8.84 919 640 B 18 VAL HB B 15 LEU CG 1.0 1.8 7.40 920 641 B 18 VAL CB B 15 LEU CG 1.0 1.8 8.18 921 642 B 15 LEU CG B 24 PHE HBx 1.0 1.8 7.93 922 642 B 15 LEU CG B 24 PHE HBy 1.0 1.8 7.93 923 643 B 24 PHE HEy B 15 LEU CG 1.0 1.8 10.50 924 643 B 24 PHE HEx B 15 LEU CG 1.0 1.8 10.50 925 644 B 26 TYR HBx B 15 LEU CG 1.0 1.8 7.14 926 644 B 26 TYR HBy B 15 LEU CG 1.0 1.8 7.14 927 645 B 16 TYR HA B 17 LEU CG 1.0 1.8 7.40 928 646 B 16 TYR HBy B 17 LEU HBx 1.0 1.8 8.84 929 646 B 16 TYR HBy B 17 LEU HBy 1.0 1.8 8.84 930 646 B 16 TYR HBx B 17 LEU HBx 1.0 1.8 8.84 931 646 B 16 TYR HBx B 17 LEU HBy 1.0 1.8 8.84 932 647 B 16 TYR HBy B 17 LEU CG 1.0 1.8 9.18 933 647 B 16 TYR HBx B 17 LEU CG 1.0 1.8 9.18 934 648 B 17 LEU H B 17 LEU HBx 1.0 1.8 3.81 935 648 B 17 LEU H B 17 LEU HBy 1.0 1.8 3.81 936 649 B 17 LEU HA B 17 LEU HBx 1.0 1.8 3.44 937 649 B 17 LEU HA B 17 LEU HBy 1.0 1.8 3.44 938 650 B 17 LEU HA B 17 LEU CG 1.0 1.8 4.79 939 651 B 18 VAL HA B 17 LEU HBx 1.0 1.8 5.58 940 651 B 18 VAL HA B 17 LEU HBy 1.0 1.8 5.58 941 652 B 17 LEU HBx B 18 VAL CB 1.0 1.8 6.86 942 652 B 17 LEU HBy B 18 VAL CB 1.0 1.8 6.86 943 653 B 18 VAL H B 18 VAL CB 1.0 1.8 4.45 944 654 B 19 CYS HB3 B 18 VAL H 1.0 1.8 6.38 945 654 B 19 CYS HB2 B 18 VAL H 1.0 1.8 6.38 946 655 B 19 CYS HA B 18 VAL CB 1.0 1.8 5.94 947 656 B 19 CYS HB3 B 18 VAL CB 1.0 1.8 6.97 948 656 B 19 CYS HB2 B 18 VAL CB 1.0 1.8 6.97 949 657 B 19 CYS H B 19 CYS HB3 1.0 1.8 3.71 950 657 B 19 CYS H B 19 CYS HB2 1.0 1.8 3.71 951 658 B 19 CYS HA B 19 CYS HB3 1.0 1.8 3.29 952 658 B 19 CYS HA B 19 CYS HB2 1.0 1.8 3.29 953 659 B 19 CYS HA B 22 ARG HBx 1.0 1.8 5.07 954 659 B 19 CYS HA B 22 ARG HBy 1.0 1.8 5.07 955 660 B 19 CYS HB3 B 23 GLY H 1.0 1.8 5.62 956 660 B 19 CYS HB2 B 23 GLY H 1.0 1.8 5.62 957 661 B 19 CYS HB3 B 23 GLY HAy 1.0 1.8 6.37 958 661 B 19 CYS HB3 B 23 GLY HAx 1.0 1.8 6.37 959 661 B 19 CYS HB2 B 23 GLY HAx 1.0 1.8 6.37 960 661 B 19 CYS HB2 B 23 GLY HAy 1.0 1.8 6.37 961 662 B 19 CYS HB3 B 24 PHE HBy 1.0 1.8 5.63 962 662 B 19 CYS HB3 B 24 PHE HBx 1.0 1.8 5.63 963 662 B 19 CYS HB2 B 24 PHE HBx 1.0 1.8 5.63 964 662 B 19 CYS HB2 B 24 PHE HBy 1.0 1.8 5.63 965 663 B 19 CYS HB3 B 24 PHE HDx 1.0 1.8 10.29 966 663 B 19 CYS HB3 B 24 PHE HDy 1.0 1.8 10.29 967 663 B 19 CYS HB2 B 24 PHE HDy 1.0 1.8 10.29 968 663 B 19 CYS HB2 B 24 PHE HDx 1.0 1.8 10.29 969 664 B 19 CYS HB3 B 24 PHE HEy 1.0 1.8 10.30 970 664 B 19 CYS HB3 B 24 PHE HEx 1.0 1.8 10.30 971 664 B 19 CYS HB2 B 24 PHE HEy 1.0 1.8 10.30 972 664 B 19 CYS HB2 B 24 PHE HEx 1.0 1.8 10.30 973 665 B 21 GLU H B 21 GLU HBx 1.0 1.8 4.45 974 665 B 21 GLU H B 21 GLU HBy 1.0 1.8 4.45 975 666 B 22 ARG H B 21 GLU HBx 1.0 1.8 4.66 976 666 B 22 ARG H B 21 GLU HBy 1.0 1.8 4.66 977 667 B 22 ARG H B 22 ARG HBx 1.0 1.8 3.83 978 667 B 22 ARG H B 22 ARG HBy 1.0 1.8 3.83 979 668 B 22 ARG HA B 22 ARG HBx 1.0 1.8 3.35 980 668 B 22 ARG HA B 22 ARG HBy 1.0 1.8 3.35 981 669 B 22 ARG HBx B 22 ARG HE 1.0 1.8 6.40 982 669 B 22 ARG HBy B 22 ARG HE 1.0 1.8 6.40 983 670 B 22 ARG HBx B 23 GLY H 1.0 1.8 4.91 984 670 B 22 ARG HBy B 23 GLY H 1.0 1.8 4.91 985 671 B 23 GLY HAx B 24 PHE HBy 1.0 1.8 6.81 986 671 B 23 GLY HAx B 24 PHE HBx 1.0 1.8 6.81 987 671 B 23 GLY HAy B 24 PHE HBx 1.0 1.8 6.81 988 671 B 23 GLY HAy B 24 PHE HBy 1.0 1.8 6.81 989 672 B 24 PHE H B 24 PHE HBx 1.0 1.8 4.11 990 672 B 24 PHE H B 24 PHE HBy 1.0 1.8 4.11 991 673 B 25 PHE HBx B 24 PHE HA 1.0 1.8 5.24 992 673 B 25 PHE HBy B 24 PHE HA 1.0 1.8 5.24 993 674 B 25 PHE H B 24 PHE HBx 1.0 1.8 4.37 994 674 B 25 PHE H B 24 PHE HBy 1.0 1.8 4.37 995 675 B 26 TYR HBy B 24 PHE HEy 1.0 1.8 10.30 996 675 B 26 TYR HBx B 24 PHE HEy 1.0 1.8 10.30 997 675 B 26 TYR HBx B 24 PHE HEx 1.0 1.8 10.30 998 675 B 26 TYR HBy B 24 PHE HEx 1.0 1.8 10.30 999 676 B 25 PHE H B 25 PHE HBx 1.0 1.8 4.14 1000 676 B 25 PHE H B 25 PHE HBy 1.0 1.8 4.14 1001 677 B 25 PHE HBx B 26 TYR H 1.0 1.8 5.47 1002 677 B 25 PHE HBy B 26 TYR H 1.0 1.8 5.47 1003 678 B 26 TYR H B 26 TYR HBx 1.0 1.8 3.86 1004 678 B 26 TYR H B 26 TYR HBy 1.0 1.8 3.86 1005 679 B 27 THR H B 26 TYR HBx 1.0 1.8 4.97 1006 679 B 27 THR H B 26 TYR HBy 1.0 1.8 4.97 1007 680 B 26 TYR HEy B 28 PRO HBy 1.0 1.8 10.30 1008 680 B 26 TYR HEy B 28 PRO HBx 1.0 1.8 10.30 1009 680 B 26 TYR HEx B 28 PRO HBx 1.0 1.8 10.30 1010 680 B 26 TYR HEx B 28 PRO HBy 1.0 1.8 10.30 1011 681 B 26 TYR HEy B 28 PRO HGx 1.0 1.8 10.30 1012 681 B 26 TYR HEy B 28 PRO HGy 1.0 1.8 10.30 1013 681 B 26 TYR HEx B 28 PRO HGx 1.0 1.8 10.30 1014 681 B 26 TYR HEx B 28 PRO HGy 1.0 1.8 10.30 1015 682 B 27 THR HG2% B 28 PRO HBx 1.0 1.8 9.60 1016 682 B 27 THR HG2% B 28 PRO HBy 1.0 1.8 9.60 1017 683 B 28 PRO HA B 29 LYS HBx 1.0 1.8 5.78 1018 683 B 28 PRO HA B 29 LYS HBy 1.0 1.8 5.78 1019 684 A 6 CYS SG A 11 CYS SG 1.0 1.8 2.60 1020 685 A 6 CYS SG A 11 CYS CB 1.0 1.8 3.60 1021 686 A 11 CYS SG A 6 CYS CB 1.0 1.8 3.60 1022 687 A 7 CYS SG B 7 CYS SG 1.0 1.8 2.60 1023 688 A 7 CYS SG B 7 CYS CB 1.0 1.8 3.60 1024 689 B 7 CYS SG A 7 CYS CB 1.0 1.8 3.60 1025 690 A 20 CYS SG B 19 CYS SG 1.0 1.8 2.60 1026 691 A 20 CYS SG B 19 CYS CB 1.0 1.8 3.60 1027 692 B 19 CYS SG A 20 CYS CB 1.0 1.8 3.60 stop_ save_ save_AMBER_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode AMBER_dihedral_4 _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 ILE C A 3 VAL N A 3 VAL CA A 3 VAL C 1.0 -75.0 -45.0 PHI 2 2 A 3 VAL C A 4 GLU N A 4 GLU CA A 4 GLU C 1.0 -315.0 -45.0 PHI 3 3 A 3 VAL C A 4 GLU N A 4 GLU CA A 4 GLU C 1.0 -185.0 55.0 PHI 4 4 A 3 VAL C A 4 GLU N A 4 GLU CA A 4 GLU C 1.0 -85.0 205.0 PHI 5 5 A 4 GLU C A 5 GLN N A 5 GLN CA A 5 GLN C 1.0 -65.0 -45.0 PHI 6 6 A 5 GLN C A 6 CYS N A 6 CYS CA A 6 CYS C 1.0 -175.0 -65.0 PHI 7 7 A 6 CYS C A 7 CYS N A 7 CYS CA A 7 CYS C 1.0 -165.0 -75.0 PHI 8 8 A 7 CYS C A 8 THR N A 8 THR CA A 8 THR C 1.0 -315.0 -45.0 PHI 9 9 A 7 CYS C A 8 THR N A 8 THR CA A 8 THR C 1.0 -185.0 75.0 PHI 10 10 A 8 THR C A 9 SER N A 9 SER CA A 9 SER C 1.0 -315.0 -45.0 PHI 11 11 A 8 THR C A 9 SER N A 9 SER CA A 9 SER C 1.0 -185.0 75.0 PHI 12 12 A 9 SER C A 10 ILE N A 10 ILE CA A 10 ILE C 1.0 45.0 285.0 PHI 13 13 A 9 SER C A 10 ILE N A 10 ILE CA A 10 ILE C 1.0 -165.0 75.0 PHI 14 14 A 10 ILE C A 11 CYS N A 11 CYS CA A 11 CYS C 1.0 -185.0 -45.0 PHI 15 15 A 12 SER C A 13 LEU N A 13 LEU CA A 13 LEU C 1.0 -65.0 -45.0 PHI 16 16 A 13 LEU C A 14 TYR N A 14 TYR CA A 14 TYR C 1.0 -185.0 -45.0 PHI 17 17 A 13 LEU C A 14 TYR N A 14 TYR CA A 14 TYR C 1.0 -65.0 185.0 PHI 18 18 A 14 TYR C A 15 GLN N A 15 GLN CA A 15 GLN C 1.0 -315.0 -45.0 PHI 19 19 A 14 TYR C A 15 GLN N A 15 GLN CA A 15 GLN C 1.0 -175.0 55.0 PHI 20 20 A 15 GLN C A 16 LEU N A 16 LEU CA A 16 LEU C 1.0 -75.0 -45.0 PHI 21 21 A 16 LEU C A 17 GLU N A 17 GLU CA A 17 GLU C 1.0 -65.0 -45.0 PHI 22 22 A 17 GLU C A 18 ASN N A 18 ASN CA A 18 ASN C 1.0 -185.0 -45.0 PHI 23 23 A 18 ASN C A 19 TYR N A 19 TYR CA A 19 TYR C 1.0 55.0 285.0 PHI 24 24 A 18 ASN C A 19 TYR N A 19 TYR CA A 19 TYR C 1.0 -165.0 65.0 PHI 25 25 A 19 TYR C A 20 CYS N A 20 CYS CA A 20 CYS C 1.0 45.0 305.0 PHI 26 26 A 19 TYR C A 20 CYS N A 20 CYS CA A 20 CYS C 1.0 -185.0 75.0 PHI 27 27 A 19 TYR C A 20 CYS N A 20 CYS CA A 20 CYS C 1.0 -115.0 215.0 PHI 28 28 B 1 PHE C B 2 VAL N B 2 VAL CA B 2 VAL C 1.0 55.0 295.0 PHI 29 29 B 1 PHE C B 2 VAL N B 2 VAL CA B 2 VAL C 1.0 -165.0 75.0 PHI 30 30 B 2 VAL C B 3 ASN N B 3 ASN CA B 3 ASN C 1.0 -175.0 -65.0 PHI 31 31 B 2 VAL C B 3 ASN N B 3 ASN CA B 3 ASN C 1.0 -125.0 225.0 PHI 32 32 B 3 ASN C B 4 GLN N B 4 GLN CA B 4 GLN C 1.0 45.0 295.0 PHI 33 33 B 3 ASN C B 4 GLN N B 4 GLN CA B 4 GLN C 1.0 -175.0 75.0 PHI 34 34 B 3 ASN C B 4 GLN N B 4 GLN CA B 4 GLN C 1.0 -115.0 235.0 PHI 35 35 B 4 GLN C B 5 HIS N B 5 HIS CA B 5 HIS C 1.0 45.0 295.0 PHI 36 36 B 4 GLN C B 5 HIS N B 5 HIS CA B 5 HIS C 1.0 -175.0 65.0 PHI 37 37 B 4 GLN C B 5 HIS N B 5 HIS CA B 5 HIS C 1.0 -105.0 225.0 PHI 38 38 B 5 HIS C B 6 LEU N B 6 LEU CA B 6 LEU C 1.0 45.0 295.0 PHI 39 39 B 5 HIS C B 6 LEU N B 6 LEU CA B 6 LEU C 1.0 -185.0 75.0 PHI 40 40 B 6 LEU C B 7 CYS N B 7 CYS CA B 7 CYS C 1.0 55.0 285.0 PHI 41 41 B 6 LEU C B 7 CYS N B 7 CYS CA B 7 CYS C 1.0 -165.0 65.0 PHI 42 42 B 7 CYS C B 8 GLY N B 8 GLY CA B 8 GLY C 1.0 -315.0 -45.0 PHI 43 43 B 9 SER C B 10 HIS N B 10 HIS CA B 10 HIS C 1.0 -305.0 -45.0 PHI 44 44 B 9 SER C B 10 HIS N B 10 HIS CA B 10 HIS C 1.0 -185.0 65.0 PHI 45 45 B 9 SER C B 10 HIS N B 10 HIS CA B 10 HIS C 1.0 -95.0 245.0 PHI 46 46 B 10 HIS C B 11 LEU N B 11 LEU CA B 11 LEU C 1.0 -185.0 -45.0 PHI 47 47 B 11 LEU C B 12 VAL N B 12 VAL CA B 12 VAL C 1.0 -155.0 -65.0 PHI 48 48 B 13 GLU C B 14 ALA N B 14 ALA CA B 14 ALA C 1.0 -185.0 -45.0 PHI 49 49 B 13 GLU C B 14 ALA N B 14 ALA CA B 14 ALA C 1.0 -65.0 185.0 PHI 50 50 B 14 ALA C B 15 LEU N B 15 LEU CA B 15 LEU C 1.0 -185.0 -45.0 PHI 51 51 B 14 ALA C B 15 LEU N B 15 LEU CA B 15 LEU C 1.0 -65.0 185.0 PHI 52 52 B 15 LEU C B 16 TYR N B 16 TYR CA B 16 TYR C 1.0 -185.0 -45.0 PHI 53 53 B 15 LEU C B 16 TYR N B 16 TYR CA B 16 TYR C 1.0 -65.0 185.0 PHI 54 54 B 16 TYR C B 17 LEU N B 17 LEU CA B 17 LEU C 1.0 -75.0 -45.0 PHI 55 55 B 17 LEU C B 18 VAL N B 18 VAL CA B 18 VAL C 1.0 -155.0 -45.0 PHI 56 56 B 19 CYS C B 20 GLY N B 20 GLY CA B 20 GLY C 1.0 -315.0 -45.0 PHI 57 57 B 21 GLU C B 22 ARG N B 22 ARG CA B 22 ARG C 1.0 45.0 305.0 PHI 58 58 B 21 GLU C B 22 ARG N B 22 ARG CA B 22 ARG C 1.0 -185.0 65.0 PHI 59 59 B 21 GLU C B 22 ARG N B 22 ARG CA B 22 ARG C 1.0 -125.0 215.0 PHI 60 60 B 22 ARG C B 23 GLY N B 23 GLY CA B 23 GLY C 1.0 -315.0 -45.0 PHI 61 61 B 23 GLY C B 24 PHE N B 24 PHE CA B 24 PHE C 1.0 -315.0 -45.0 PHI 62 62 B 23 GLY C B 24 PHE N B 24 PHE CA B 24 PHE C 1.0 -185.0 75.0 PHI 63 63 B 24 PHE C B 25 PHE N B 25 PHE CA B 25 PHE C 1.0 -315.0 -45.0 PHI 64 64 B 24 PHE C B 25 PHE N B 25 PHE CA B 25 PHE C 1.0 -185.0 75.0 PHI 65 65 B 24 PHE C B 25 PHE N B 25 PHE CA B 25 PHE C 1.0 -125.0 215.0 PHI 66 66 B 25 PHE C B 26 TYR N B 26 TYR CA B 26 TYR C 1.0 -185.0 -45.0 PHI 67 67 B 25 PHE C B 26 TYR N B 26 TYR CA B 26 TYR C 1.0 -75.0 195.0 PHI 68 68 B 26 TYR C B 27 THR N B 27 THR CA B 27 THR C 1.0 45.0 315.0 PHI 69 69 B 26 TYR C B 27 THR N B 27 THR CA B 27 THR C 1.0 -165.0 75.0 PHI 70 70 B 28 PRO C B 29 LYS N B 29 LYS CA B 29 LYS C 1.0 45.0 325.0 PHI 71 71 B 28 PRO C B 29 LYS N B 29 LYS CA B 29 LYS C 1.0 -175.0 75.0 PHI 72 72 B 28 PRO C B 29 LYS N B 29 LYS CA B 29 LYS C 1.0 -115.0 235.0 PHI stop_ save_