data_nef_c36019_5gwg 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 5GWG 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 9 CYS SG 2 21 CYS SG 1 11 CYS SG 2 19 CYS SG 1 15 CYS SG 2 15 CYS SG 1 19 CYS SG 2 11 CYS SG 1 21 CYS SG 2 9 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 LEU start . . 2 A 2 ARG middle . . 3 A 3 VAL middle . . 4 A 4 ARG middle . . 5 A 5 ARG middle . . 6 A 6 THR middle . . 7 A 7 LEU middle . . 8 A 8 GLN middle . . 9 A 9 CYS middle -HG . 10 A 10 SER middle . . 11 A 11 CYS middle -HG . 12 A 12 ARG middle . . 13 A 13 ARG middle . . 14 A 14 VAL middle . . 15 A 15 CYS middle -HG . 16 A 16 ARG middle . . 17 A 17 ASN middle . . 18 A 18 THR middle . . 19 A 19 CYS middle -HG . 20 A 20 SER middle . . 21 A 21 CYS middle -HG . 22 A 22 ILE middle . . 23 A 23 ARG middle . . 24 A 24 LEU middle . . 25 A 25 SER middle . . 26 A 26 ARG middle . . 27 A 27 SER middle . . 28 A 28 THR middle . . 29 A 29 TYR middle . . 30 A 30 ALA middle . . 31 A 31 SER end . . 32 B 41 LEU start . . 33 B 42 ARG middle . . 34 B 43 VAL middle . . 35 B 44 ARG middle . . 36 B 45 ARG middle . . 37 B 46 THR middle . . 38 B 47 LEU middle . . 39 B 48 GLN middle . . 40 B 49 CYS middle -HG . 41 B 50 SER middle . . 42 B 51 CYS middle -HG . 43 B 52 ARG middle . . 44 B 53 ARG middle . . 45 B 54 VAL middle . . 46 B 55 CYS middle -HG . 47 B 56 ARG middle . . 48 B 57 ASN middle . . 49 B 58 THR middle . . 50 B 59 CYS middle -HG . 51 B 60 SER middle . . 52 B 61 CYS middle -HG . 53 B 62 ILE middle . . 54 B 63 ARG middle . . 55 B 64 LEU middle . . 56 B 65 SER middle . . 57 B 66 ARG middle . . 58 B 67 SER middle . . 59 B 68 THR middle . . 60 B 69 TYR middle . . 61 B 70 ALA middle . . 62 B 71 SER end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 LEU HA H 1 4.030 0.01 A 2 ARG H H 1 8.744 0.01 A 2 ARG HA H 1 4.463 0.01 A 2 ARG HBx H 1 1.752 0.01 A 2 ARG HBy H 1 1.800 0.01 A 2 ARG HDx H 1 3.182 0.01 A 2 ARG HDy H 1 3.182 0.01 A 2 ARG HGx H 1 1.576 0.01 A 2 ARG HGy H 1 1.651 0.01 A 3 VAL H H 1 8.343 0.01 A 3 VAL HA H 1 4.154 0.01 A 3 VAL HB H 1 2.009 0.01 A 3 VAL HGx% H 1 0.914 0.01 A 3 VAL HGy% H 1 0.914 0.01 A 4 ARG H H 1 8.562 0.01 A 4 ARG HA H 1 4.387 0.01 A 4 ARG HBx H 1 1.728 0.01 A 4 ARG HBy H 1 1.774 0.01 A 4 ARG HDx H 1 3.148 0.01 A 4 ARG HDy H 1 3.148 0.01 A 4 ARG HGx H 1 1.542 0.01 A 4 ARG HGy H 1 1.616 0.01 A 5 ARG H H 1 8.513 0.01 A 5 ARG HA H 1 4.540 0.01 A 5 ARG HBx H 1 1.754 0.01 A 5 ARG HBy H 1 1.821 0.01 A 5 ARG HDx H 1 3.186 0.01 A 5 ARG HDy H 1 3.186 0.01 A 5 ARG HGx H 1 1.592 0.01 A 5 ARG HGy H 1 1.670 0.01 A 6 THR H H 1 8.396 0.01 A 6 THR HA H 1 4.384 0.01 A 6 THR HB H 1 4.204 0.01 A 6 THR HG2% H 1 1.181 0.01 A 7 LEU H H 1 8.180 0.01 A 7 LEU HA H 1 4.754 0.01 A 7 LEU HBx H 1 1.563 0.01 A 7 LEU HBy H 1 1.563 0.01 A 7 LEU HDx% H 1 0.830 0.01 A 7 LEU HDy% H 1 0.830 0.01 A 8 GLN H H 1 8.828 0.01 A 8 GLN HA H 1 4.596 0.01 A 8 GLN HBx H 1 1.967 0.01 A 8 GLN HBy H 1 2.078 0.01 A 8 GLN HGx H 1 2.264 0.01 A 8 GLN HGy H 1 2.309 0.01 A 9 CYS H H 1 8.942 0.01 A 9 CYS HA H 1 5.528 0.01 A 9 CYS HBx H 1 2.876 0.01 A 9 CYS HBy H 1 3.064 0.01 A 10 SER H H 1 8.420 0.01 A 10 SER HA H 1 4.517 0.01 A 10 SER HBx H 1 3.866 0.01 A 10 SER HBy H 1 3.866 0.01 A 11 CYS H H 1 8.877 0.01 A 11 CYS HA H 1 5.585 0.01 A 11 CYS HBx H 1 2.816 0.01 A 11 CYS HBy H 1 3.018 0.01 A 12 ARG H H 1 8.889 0.01 A 12 ARG HA H 1 4.653 0.01 A 12 ARG HBx H 1 1.750 0.01 A 12 ARG HBy H 1 1.807 0.01 A 12 ARG HGx H 1 1.491 0.01 A 12 ARG HGy H 1 1.600 0.01 A 13 ARG H H 1 8.673 0.01 A 13 ARG HA H 1 4.884 0.01 A 13 ARG HBx H 1 1.750 0.01 A 13 ARG HBy H 1 1.750 0.01 A 13 ARG HGx H 1 1.450 0.01 A 13 ARG HGy H 1 1.692 0.01 A 14 VAL H H 1 8.853 0.01 A 14 VAL HA H 1 4.389 0.01 A 14 VAL HB H 1 2.007 0.01 A 14 VAL HGx% H 1 0.920 0.01 A 14 VAL HGy% H 1 0.920 0.01 A 15 CYS H H 1 9.024 0.01 A 15 CYS HA H 1 5.679 0.01 A 15 CYS HBx H 1 2.549 0.01 A 15 CYS HBy H 1 3.058 0.01 A 16 ARG H H 1 8.880 0.01 A 16 ARG HA H 1 4.648 0.01 A 16 ARG HBx H 1 1.756 0.01 A 16 ARG HBy H 1 1.801 0.01 A 17 ASN H H 1 8.961 0.01 A 17 ASN HA H 1 5.304 0.01 A 17 ASN HBx H 1 2.616 0.01 A 17 ASN HBy H 1 2.659 0.01 A 18 THR H H 1 9.088 0.01 A 18 THR HA H 1 4.642 0.01 A 18 THR HB H 1 4.064 0.01 A 18 THR HG2% H 1 1.203 0.01 A 19 CYS H H 1 9.037 0.01 A 19 CYS HA H 1 5.612 0.01 A 19 CYS HBx H 1 2.854 0.01 A 19 CYS HBy H 1 3.063 0.01 A 20 SER H H 1 8.890 0.01 A 20 SER HA H 1 4.751 0.01 A 20 SER HBx H 1 3.872 0.01 A 20 SER HBy H 1 3.872 0.01 A 21 CYS H H 1 8.857 0.01 A 21 CYS HA H 1 5.496 0.01 A 21 CYS HBx H 1 2.789 0.01 A 21 CYS HBy H 1 3.056 0.01 A 22 ILE H H 1 8.628 0.01 A 22 ILE HA H 1 4.410 0.01 A 22 ILE HB H 1 1.873 0.01 A 22 ILE HD1% H 1 0.854 0.01 A 22 ILE HG1x H 1 1.176 0.01 A 22 ILE HG1y H 1 1.176 0.01 A 22 ILE HG2% H 1 0.910 0.01 A 23 ARG H H 1 8.526 0.01 A 23 ARG HA H 1 4.586 0.01 A 23 ARG HBx H 1 1.742 0.01 A 23 ARG HBy H 1 1.776 0.01 A 23 ARG HDx H 1 3.177 0.01 A 23 ARG HDy H 1 3.177 0.01 A 23 ARG HGx H 1 1.563 0.01 A 23 ARG HGy H 1 1.660 0.01 A 24 LEU H H 1 8.430 0.01 A 24 LEU HA H 1 4.436 0.01 A 24 LEU HBy H 1 1.778 0.01 A 24 LEU HBx H 1 1.579 0.01 A 24 LEU HDx% H 1 0.852 0.01 A 24 LEU HDy% H 1 0.852 0.01 A 24 LEU HG H 1 1.579 0.01 A 25 SER H H 1 8.835 0.01 A 25 SER HA H 1 4.751 0.01 A 25 SER HBx H 1 3.850 0.01 A 25 SER HBy H 1 3.901 0.01 A 26 ARG H H 1 8.369 0.01 A 26 ARG HA H 1 4.392 0.01 A 26 ARG HBx H 1 1.769 0.01 A 26 ARG HBy H 1 1.885 0.01 A 26 ARG HDx H 1 3.192 0.01 A 26 ARG HDy H 1 3.192 0.01 A 26 ARG HGx H 1 1.630 0.01 A 26 ARG HGy H 1 1.630 0.01 A 27 SER H H 1 8.407 0.01 A 27 SER HA H 1 4.517 0.01 A 27 SER HBx H 1 3.812 0.01 A 27 SER HBy H 1 3.879 0.01 A 28 THR H H 1 8.077 0.01 A 28 THR HA H 1 4.312 0.01 A 28 THR HB H 1 4.151 0.01 A 28 THR HG2% H 1 1.114 0.01 A 29 TYR H H 1 8.139 0.01 A 29 TYR HA H 1 4.618 0.01 A 29 TYR HBx H 1 2.919 0.01 A 29 TYR HBy H 1 3.099 0.01 A 29 TYR HDx H 1 7.100 0.01 A 29 TYR HDy H 1 7.100 0.01 A 30 ALA H H 1 8.194 0.01 A 30 ALA HA H 1 4.383 0.01 A 30 ALA HB% H 1 1.377 0.01 A 31 SER H H 1 7.881 0.01 A 31 SER HA H 1 4.262 0.01 A 31 SER HBx H 1 3.862 0.01 A 31 SER HBy H 1 3.862 0.01 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 2 ARG H A 2 ARG HGx 1.0 0.0 5.04 2 1 A 2 ARG H A 2 ARG HGy 1.0 0.0 5.04 3 2 A 2 ARG HA A 3 VAL H 1.0 0.0 2.93 4 3 A 3 VAL H A 3 VAL HB 1.0 0.0 3.79 5 4 A 3 VAL H A 3 VAL HGy% 1.0 0.0 5.25 6 5 A 3 VAL H A 4 ARG H 1.0 0.0 4.23 7 6 A 4 ARG H A 3 VAL HA 1.0 0.0 3.20 8 7 A 3 VAL HB A 4 ARG H 1.0 0.0 4.74 9 8 A 3 VAL HGx% A 19 CYS HBx 1.0 0.0 5.43 10 9 A 4 ARG H A 3 VAL HGy% 1.0 0.0 5.50 11 10 A 4 ARG H A 4 ARG HBx 1.0 0.0 3.31 12 10 A 4 ARG H A 4 ARG HBy 1.0 0.0 3.31 13 11 A 4 ARG H A 4 ARG HGx 1.0 0.0 4.53 14 11 A 4 ARG H A 4 ARG HGy 1.0 0.0 4.53 15 12 A 4 ARG H A 5 ARG HA 1.0 0.0 5.40 16 13 A 4 ARG H A 5 ARG HGx 1.0 0.0 5.34 17 13 A 4 ARG H A 5 ARG HGy 1.0 0.0 5.34 18 14 A 4 ARG HA A 4 ARG HDx 1.0 0.0 4.75 19 14 A 4 ARG HA A 4 ARG HDy 1.0 0.0 4.75 20 15 A 4 ARG HA A 4 ARG HGx 1.0 0.0 3.43 21 15 A 4 ARG HGy A 4 ARG HA 1.0 0.0 3.43 22 16 A 4 ARG HA A 5 ARG H 1.0 0.0 2.64 23 17 A 4 ARG HE A 4 ARG HBx 1.0 0.0 4.78 24 17 A 4 ARG HBy A 4 ARG HE 1.0 0.0 4.78 25 18 A 5 ARG H A 4 ARG HBx 1.0 0.0 3.32 26 18 A 4 ARG HBy A 5 ARG H 1.0 0.0 3.32 27 19 A 5 ARG H A 4 ARG HGx 1.0 0.0 4.00 28 19 A 4 ARG HGy A 5 ARG H 1.0 0.0 4.00 29 20 A 5 ARG H A 5 ARG HBx 1.0 0.0 3.44 30 21 A 5 ARG H A 5 ARG HGx 1.0 0.0 5.34 31 21 A 5 ARG HGy A 5 ARG H 1.0 0.0 5.34 32 22 A 5 ARG H A 6 THR H 1.0 0.0 4.48 33 23 A 5 ARG H A 6 THR HG2% 1.0 0.0 5.50 34 24 A 5 ARG HA A 5 ARG HDx 1.0 0.0 5.50 35 24 A 5 ARG HA A 5 ARG HDy 1.0 0.0 5.50 36 25 A 5 ARG HA A 5 ARG HGx 1.0 0.0 5.15 37 25 A 5 ARG HA A 5 ARG HGy 1.0 0.0 5.15 38 26 A 5 ARG HA A 5 ARG HGx 1.0 0.0 3.41 39 26 A 5 ARG HA A 5 ARG HGy 1.0 0.0 3.41 40 27 A 5 ARG HA A 6 THR H 1.0 0.0 2.90 41 28 A 5 ARG HA A 6 THR HG1 1.0 0.0 5.50 42 29 A 5 ARG HA A 7 LEU HDy% 1.0 0.0 6.50 43 30 A 6 THR H A 5 ARG HBx 1.0 0.0 5.04 44 30 A 6 THR H A 5 ARG HBy 1.0 0.0 5.04 45 31 A 7 LEU H A 5 ARG HBx 1.0 0.0 4.56 46 32 A 5 ARG HBy A 5 ARG HE 1.0 0.0 5.50 47 33 A 6 THR HG1 A 5 ARG HBy 1.0 0.0 4.70 48 34 A 6 THR H A 5 ARG HDx 1.0 0.0 6.50 49 34 A 6 THR H A 5 ARG HDy 1.0 0.0 6.50 50 35 A 7 LEU HDy% A 5 ARG HDx 1.0 0.0 6.50 51 35 A 5 ARG HDy A 7 LEU HDy% 1.0 0.0 6.50 52 36 A 7 LEU HDy% A 5 ARG HE 1.0 0.0 6.50 53 37 A 7 LEU HDy% A 5 ARG HGx 1.0 0.0 6.34 54 37 A 5 ARG HGy A 7 LEU HDy% 1.0 0.0 6.34 55 38 A 6 THR H A 6 THR HB 1.0 0.0 3.76 56 39 A 6 THR H A 6 THR HG1 1.0 0.0 3.95 57 40 A 6 THR H A 7 LEU H 1.0 0.0 3.29 58 41 A 6 THR H A 7 LEU HA 1.0 0.0 4.86 59 42 A 6 THR H A 7 LEU HDx% 1.0 0.0 5.50 60 43 A 6 THR H A 8 GLN H 1.0 0.0 5.50 61 44 A 6 THR HG1 A 6 THR HA 1.0 0.0 3.82 62 45 A 7 LEU H A 6 THR HA 1.0 0.0 3.44 63 46 A 7 LEU H A 6 THR HB 1.0 0.0 4.08 64 47 A 6 THR HB A 7 LEU HBy 1.0 0.0 5.50 65 48 A 7 LEU HDy% A 6 THR HB 1.0 0.0 6.50 66 49 A 6 THR HB A 7 LEU HG 1.0 0.0 5.50 67 50 A 6 THR HG1 A 7 LEU H 1.0 0.0 4.25 68 51 A 6 THR HG1 A 7 LEU HA 1.0 0.0 5.50 69 52 A 6 THR HG1 A 7 LEU HBy 1.0 0.0 5.50 70 53 A 6 THR HG1 A 7 LEU HG 1.0 0.0 5.50 71 54 A 7 LEU H A 7 LEU HDx% 1.0 0.0 5.20 72 55 A 7 LEU H A 7 LEU HDx% 1.0 0.0 5.50 73 56 A 7 LEU H A 7 LEU HDx% 1.0 0.0 5.50 74 57 A 7 LEU HDy% A 7 LEU H 1.0 0.0 4.24 75 58 A 7 LEU HDy% A 7 LEU H 1.0 0.0 4.43 76 59 A 7 LEU H A 7 LEU HG 1.0 0.0 2.93 77 60 A 7 LEU H A 8 GLN H 1.0 0.0 4.79 78 61 A 7 LEU HA A 7 LEU HDx% 1.0 0.0 4.73 79 62 A 7 LEU HDy% A 7 LEU HA 1.0 0.0 4.92 80 63 A 7 LEU HDy% A 7 LEU HA 1.0 0.0 4.87 81 64 A 7 LEU HBx A 22 ILE H 1.0 0.0 4.77 82 65 A 7 LEU HBx A 22 ILE HA 1.0 0.0 5.45 83 66 A 7 LEU HBx A 23 ARG HA 1.0 0.0 3.37 84 67 A 7 LEU HDx% A 7 LEU HBx 1.0 0.0 3.38 85 68 A 8 GLN H A 7 LEU HBx 1.0 0.0 3.47 86 69 A 7 LEU HBx A 8 GLN HBx 1.0 0.0 4.14 87 70 A 7 LEU HBx A 8 GLN HBy 1.0 0.0 4.86 88 71 A 7 LEU HDx% A 23 ARG H 1.0 0.0 4.97 89 72 A 7 LEU HDx% A 23 ARG HA 1.0 0.0 4.14 90 73 A 7 LEU HDx% A 23 ARG HE 1.0 0.0 5.50 91 74 A 7 LEU HDx% A 24 LEU H 1.0 0.0 5.50 92 75 A 8 GLN H A 7 LEU HDx% 1.0 0.0 4.13 93 76 A 7 LEU HDx% A 21 CYS HA 1.0 0.0 5.39 94 77 A 7 LEU HDx% A 21 CYS HBx 1.0 0.0 4.10 95 78 A 7 LEU HDx% A 21 CYS HBy 1.0 0.0 3.51 96 79 A 7 LEU HDx% A 22 ILE H 1.0 0.0 5.20 97 80 A 7 LEU HDx% A 22 ILE HA 1.0 0.0 4.44 98 81 A 7 LEU HDx% A 24 LEU H 1.0 0.0 5.50 99 82 A 8 GLN H A 7 LEU HDx% 1.0 0.0 4.33 100 83 A 7 LEU HG A 21 CYS HA 1.0 0.0 5.32 101 84 A 7 LEU HG A 21 CYS HBx 1.0 0.0 4.44 102 85 A 7 LEU HG A 21 CYS HBy 1.0 0.0 3.45 103 86 A 7 LEU HG A 22 ILE H 1.0 0.0 5.03 104 87 A 7 LEU HG A 22 ILE HA 1.0 0.0 5.50 105 88 A 8 GLN H A 7 LEU HG 1.0 0.0 3.96 106 89 A 7 LEU HG A 9 CYS H 1.0 0.0 5.43 107 90 A 7 LEU HG A 9 CYS HBx 1.0 0.0 5.39 108 91 A 8 GLN H A 22 ILE H 1.0 0.0 3.31 109 92 A 8 GLN H A 8 GLN HBx 1.0 0.0 3.46 110 93 A 8 GLN H A 8 GLN HBy 1.0 0.0 3.54 111 94 A 8 GLN H A 8 GLN HGx 1.0 0.0 5.16 112 95 A 8 GLN H A 8 GLN HGy 1.0 0.0 5.16 113 96 A 8 GLN H A 9 CYS HBx 1.0 0.0 4.85 114 97 A 22 ILE H A 8 GLN HA 1.0 0.0 4.88 115 98 A 9 CYS H A 8 GLN HA 1.0 0.0 2.66 116 99 A 8 GLN HA A 9 CYS HBx 1.0 0.0 4.41 117 100 A 22 ILE H A 8 GLN HBx 1.0 0.0 5.50 118 101 A 8 GLN HBx A 9 CYS H 1.0 0.0 4.73 119 102 A 22 ILE H A 8 GLN HBy 1.0 0.0 4.67 120 103 A 8 GLN HBy A 22 ILE HB 1.0 0.0 5.12 121 104 A 8 GLN HBy A 9 CYS H 1.0 0.0 4.50 122 105 A 9 CYS H A 8 GLN HGy 1.0 0.0 4.41 123 105 A 9 CYS H A 8 GLN HGx 1.0 0.0 4.41 124 106 A 22 ILE H A 9 CYS H 1.0 0.0 4.98 125 107 A 9 CYS H A 22 ILE HD1% 1.0 0.0 5.50 126 108 A 9 CYS H A 9 CYS HBx 1.0 0.0 3.55 127 109 A 9 CYS H A 9 CYS HBy 1.0 0.0 3.28 128 110 A 9 CYS HA A 10 SER H 1.0 0.0 2.72 129 111 A 9 CYS HA A 10 SER HBx 1.0 0.0 4.90 130 111 A 9 CYS HA A 10 SER HBy 1.0 0.0 4.90 131 112 A 9 CYS HA A 22 ILE HD1% 1.0 0.0 5.12 132 113 A 10 SER H A 9 CYS HBx 1.0 0.0 5.11 133 114 A 10 SER H A 10 SER HBx 1.0 0.0 3.30 134 114 A 10 SER H A 10 SER HBy 1.0 0.0 3.30 135 115 A 10 SER HA A 11 CYS H 1.0 0.0 2.40 136 116 A 10 SER HA A 11 CYS HA 1.0 0.0 4.79 137 117 A 10 SER HA A 11 CYS HBx 1.0 0.0 4.83 138 118 A 11 CYS H A 10 SER HBx 1.0 0.0 2.84 139 118 A 10 SER HBy A 11 CYS H 1.0 0.0 2.84 140 119 A 11 CYS HA A 10 SER HBx 1.0 0.0 5.34 141 119 A 10 SER HBy A 11 CYS HA 1.0 0.0 5.34 142 120 A 11 CYS H A 11 CYS HBx 1.0 0.0 2.81 143 121 A 11 CYS HA A 12 ARG H 1.0 0.0 2.71 144 122 A 11 CYS HA A 12 ARG HA 1.0 0.0 4.96 145 123 A 12 ARG H A 11 CYS HBy 1.0 0.0 2.91 146 124 A 12 ARG HA A 11 CYS HBy 1.0 0.0 5.11 147 125 A 11 CYS HBy A 18 THR H 1.0 0.0 4.32 148 126 A 11 CYS HBy A 18 THR HA 1.0 0.0 5.50 149 127 A 11 CYS HBy A 18 THR HG1 1.0 0.0 5.50 150 128 A 12 ARG H A 12 ARG HBy 1.0 0.0 3.60 151 129 A 12 ARG H A 12 ARG HGx 1.0 0.0 3.58 152 130 A 12 ARG H A 12 ARG HGy 1.0 0.0 4.30 153 131 A 12 ARG H A 12 ARG HDx 1.0 0.0 4.76 154 131 A 12 ARG H A 12 ARG HDy 1.0 0.0 4.76 155 132 A 12 ARG H A 13 ARG H 1.0 0.0 4.41 156 133 A 12 ARG H A 18 THR H 1.0 0.0 3.20 157 134 A 12 ARG H A 18 THR HB 1.0 0.0 4.80 158 135 A 12 ARG H A 18 THR HG1 1.0 0.0 4.04 159 136 A 12 ARG HA A 12 ARG HBy 1.0 0.0 2.96 160 137 A 12 ARG HA A 13 ARG H 1.0 0.0 2.82 161 138 A 12 ARG HA A 13 ARG HBy 1.0 0.0 4.65 162 139 A 12 ARG HBx A 12 ARG HE 1.0 0.0 4.84 163 140 A 12 ARG HGy A 12 ARG HBx 1.0 0.0 2.97 164 141 A 12 ARG HBx A 12 ARG HDx 1.0 0.0 2.93 165 141 A 12 ARG HDy A 12 ARG HBx 1.0 0.0 2.93 166 142 A 13 ARG H A 12 ARG HBx 1.0 0.0 3.28 167 143 A 18 THR H A 12 ARG HBx 1.0 0.0 5.50 168 144 A 12 ARG HBy A 12 ARG HE 1.0 0.0 4.78 169 145 A 18 THR H A 12 ARG HBy 1.0 0.0 5.28 170 146 A 18 THR HG1 A 12 ARG HE 1.0 0.0 5.35 171 147 A 12 ARG HGx A 12 ARG HE 1.0 0.0 4.13 172 148 A 12 ARG HGx A 13 ARG H 1.0 0.0 4.74 173 149 A 18 THR H A 12 ARG HGx 1.0 0.0 5.50 174 150 A 12 ARG HGy A 13 ARG H 1.0 0.0 4.01 175 151 A 18 THR H A 12 ARG HGy 1.0 0.0 4.87 176 152 A 12 ARG HGy A 18 THR HB 1.0 0.0 5.50 177 153 A 18 THR HB A 12 ARG HDx 1.0 0.0 5.34 178 153 A 12 ARG HDy A 18 THR HB 1.0 0.0 5.34 179 154 A 18 THR HG1 A 12 ARG HDx 1.0 0.0 4.33 180 154 A 18 THR HG1 A 12 ARG HDy 1.0 0.0 4.33 181 155 A 13 ARG H A 13 ARG HBx 1.0 0.0 2.89 182 156 A 13 ARG H A 13 ARG HBy 1.0 0.0 2.95 183 157 A 13 ARG H A 13 ARG HDx 1.0 0.0 5.50 184 158 A 13 ARG H A 13 ARG HDy 1.0 0.0 5.50 185 159 A 13 ARG H A 13 ARG HGx 1.0 0.0 4.74 186 160 A 13 ARG H A 14 VAL H 1.0 0.0 4.68 187 161 A 13 ARG HDx A 13 ARG HA 1.0 0.0 4.69 188 162 A 13 ARG HA A 13 ARG HE 1.0 0.0 5.50 189 163 A 13 ARG HA A 13 ARG HGy 1.0 0.0 3.33 190 164 A 13 ARG HA A 14 VAL HB 1.0 0.0 5.48 191 165 A 13 ARG HA A 14 VAL HGx% 1.0 0.0 4.32 192 166 A 13 ARG HA A 15 CYS H 1.0 0.0 4.63 193 167 A 13 ARG HA A 17 ASN H 1.0 0.0 4.53 194 168 A 13 ARG HA A 17 ASN HA 1.0 0.0 4.87 195 169 A 13 ARG HA A 17 ASN HBx 1.0 0.0 5.30 196 170 A 13 ARG HA A 17 ASN HBy 1.0 0.0 5.39 197 171 A 18 THR H A 13 ARG HA 1.0 0.0 5.25 198 172 A 13 ARG HBx A 13 ARG HGy 1.0 0.0 2.79 199 173 A 13 ARG HBx A 14 VAL H 1.0 0.0 3.63 200 174 A 13 ARG HBx A 17 ASN HA 1.0 0.0 4.90 201 175 A 13 ARG HBy A 13 ARG HDy 1.0 0.0 3.12 202 176 A 13 ARG HBy A 13 ARG HE 1.0 0.0 5.50 203 177 A 13 ARG HBy A 13 ARG HGx 1.0 0.0 2.75 204 178 A 13 ARG HBy A 14 VAL H 1.0 0.0 3.35 205 179 A 13 ARG HDx A 15 CYS H 1.0 0.0 5.29 206 180 A 13 ARG HDx A 17 ASN H 1.0 0.0 5.19 207 181 A 13 ARG HDy A 14 VAL H 1.0 0.0 5.25 208 182 A 13 ARG HDy A 15 CYS H 1.0 0.0 5.50 209 183 A 13 ARG HDy A 13 ARG HGx 1.0 0.0 2.97 210 184 A 13 ARG HGx A 14 VAL H 1.0 0.0 3.22 211 185 A 13 ARG HGx A 14 VAL HA 1.0 0.0 3.87 212 186 A 13 ARG HGx A 15 CYS H 1.0 0.0 4.68 213 187 A 13 ARG HGx A 15 CYS HA 1.0 0.0 5.19 214 188 A 13 ARG HGy A 15 CYS H 1.0 0.0 5.15 215 189 A 13 ARG HGy A 15 CYS HA 1.0 0.0 5.36 216 190 A 13 ARG HGy A 17 ASN HA 1.0 0.0 5.82 217 191 A 14 VAL H A 14 VAL HB 1.0 0.0 3.27 218 192 A 14 VAL H A 14 VAL HGx% 1.0 0.0 3.61 219 193 A 14 VAL H A 15 CYS H 1.0 0.0 3.22 220 194 A 14 VAL HA A 14 VAL HGy% 1.0 0.0 3.84 221 195 A 15 CYS H A 14 VAL HA 1.0 0.0 2.80 222 196 A 14 VAL HA A 15 CYS HA 1.0 0.0 4.84 223 197 A 14 VAL HA A 15 CYS HBy 1.0 0.0 4.22 224 197 A 14 VAL HA A 15 CYS HBx 1.0 0.0 4.22 225 198 A 14 VAL HB A 15 CYS H 1.0 0.0 4.73 226 199 A 15 CYS HA A 14 VAL HGx% 1.0 0.0 5.38 227 200 A 14 VAL HGx% A 15 CYS HBy 1.0 0.0 5.34 228 200 A 15 CYS HBx A 14 VAL HGx% 1.0 0.0 5.34 229 201 A 14 VAL HGx% A 16 ARG H 1.0 0.0 4.29 230 202 A 14 VAL HGx% A 16 ARG HA 1.0 0.0 5.77 231 203 A 14 VAL HGx% A 16 ARG HBx 1.0 0.0 4.46 232 204 A 14 VAL HGx% A 16 ARG HBy 1.0 0.0 4.74 233 205 A 17 ASN HA A 14 VAL HGx% 1.0 0.0 5.50 234 206 A 15 CYS HBx A 14 VAL HGy% 1.0 0.0 5.03 235 206 A 14 VAL HGy% A 15 CYS HBy 1.0 0.0 5.03 236 207 A 15 CYS H A 15 CYS HBy 1.0 0.0 3.54 237 207 A 15 CYS H A 15 CYS HBx 1.0 0.0 3.54 238 208 A 15 CYS H A 16 ARG H 1.0 0.0 3.50 239 209 A 15 CYS HA A 16 ARG H 1.0 0.0 2.97 240 210 A 15 CYS HA A 16 ARG HBx 1.0 0.0 5.50 241 211 A 17 ASN H A 15 CYS HA 1.0 0.0 5.23 242 212 A 15 CYS HBx A 16 ARG HBx 1.0 0.0 4.56 243 213 A 16 ARG HBx A 15 CYS HBy 1.0 0.0 4.56 244 214 A 16 ARG H A 15 CYS HBy 1.0 0.0 4.04 245 214 A 15 CYS HBx A 16 ARG H 1.0 0.0 4.04 246 215 A 15 CYS HBx A 16 ARG HDx 1.0 0.0 4.29 247 215 A 15 CYS HBy A 16 ARG HDx 1.0 0.0 4.29 248 215 A 16 ARG HDy A 15 CYS HBy 1.0 0.0 4.29 249 215 A 15 CYS HBx A 16 ARG HDy 1.0 0.0 4.29 250 216 A 16 ARG H A 16 ARG HBx 1.0 0.0 3.86 251 217 A 17 ASN H A 16 ARG H 1.0 0.0 3.46 252 218 A 17 ASN HA A 16 ARG H 1.0 0.0 5.28 253 219 A 16 ARG HA A 16 ARG HGx 1.0 0.0 4.08 254 220 A 16 ARG HA A 16 ARG HGy 1.0 0.0 4.08 255 221 A 16 ARG HA A 16 ARG HDx 1.0 0.0 4.21 256 221 A 16 ARG HA A 16 ARG HDy 1.0 0.0 4.21 257 222 A 17 ASN H A 16 ARG HA 1.0 0.0 2.61 258 223 A 17 ASN HBx A 16 ARG HA 1.0 0.0 5.29 259 224 A 16 ARG HBx A 16 ARG HDx 1.0 0.0 2.63 260 224 A 16 ARG HBx A 16 ARG HDy 1.0 0.0 2.63 261 225 A 17 ASN H A 16 ARG HBy 1.0 0.0 4.27 262 226 A 18 THR H A 16 ARG HBy 1.0 0.0 5.50 263 227 A 17 ASN H A 16 ARG HGy 1.0 0.0 4.30 264 227 A 17 ASN H A 16 ARG HGx 1.0 0.0 4.30 265 228 A 17 ASN H A 17 ASN HBx 1.0 0.0 3.30 266 229 A 17 ASN H A 17 ASN HBy 1.0 0.0 3.57 267 230 A 17 ASN H A 17 ASN HD2x 1.0 0.0 5.50 268 231 A 18 THR H A 17 ASN H 1.0 0.0 4.33 269 232 A 18 THR H A 17 ASN HA 1.0 0.0 2.98 270 233 A 18 THR HG1 A 17 ASN HA 1.0 0.0 4.57 271 234 A 18 THR H A 17 ASN HBx 1.0 0.0 4.31 272 235 A 18 THR HA A 17 ASN HBx 1.0 0.0 5.50 273 236 A 18 THR H A 17 ASN HBy 1.0 0.0 4.11 274 237 A 18 THR HA A 17 ASN HBy 1.0 0.0 5.11 275 238 A 18 THR H A 18 THR HB 1.0 0.0 3.72 276 239 A 18 THR H A 18 THR HG1 1.0 0.0 3.63 277 240 A 18 THR HA A 18 THR HG1 1.0 0.0 3.73 278 241 A 18 THR HA A 19 CYS H 1.0 0.0 2.82 279 242 A 19 CYS HBx A 18 THR HA 1.0 0.0 4.13 280 243 A 18 THR HB A 19 CYS H 1.0 0.0 4.39 281 244 A 18 THR HG1 A 19 CYS H 1.0 0.0 4.91 282 245 A 19 CYS HBx A 19 CYS H 1.0 0.0 3.12 283 246 A 19 CYS H A 19 CYS HBy 1.0 0.0 3.53 284 247 A 19 CYS HA A 20 SER H 1.0 0.0 2.85 285 248 A 19 CYS HA A 20 SER HBx 1.0 0.0 5.34 286 248 A 19 CYS HA A 20 SER HBy 1.0 0.0 5.34 287 249 A 20 SER HA A 21 CYS H 1.0 0.0 2.47 288 250 A 20 SER HA A 22 ILE HG1y 1.0 0.0 5.50 289 251 A 21 CYS H A 20 SER HBx 1.0 0.0 3.58 290 251 A 20 SER HBy A 21 CYS H 1.0 0.0 3.58 291 252 A 21 CYS HA A 20 SER HBx 1.0 0.0 5.26 292 252 A 21 CYS HA A 20 SER HBy 1.0 0.0 5.26 293 253 A 20 SER HBy A 22 ILE HD1% 1.0 0.0 5.34 294 253 A 22 ILE HD1% A 20 SER HBx 1.0 0.0 5.34 295 254 A 22 ILE HG1y A 20 SER HBx 1.0 0.0 4.33 296 254 A 20 SER HBy A 22 ILE HG1y 1.0 0.0 4.33 297 255 A 20 SER HBy A 22 ILE HG2% 1.0 0.0 4.28 298 255 A 22 ILE HG2% A 20 SER HBx 1.0 0.0 4.28 299 256 A 21 CYS HBx A 21 CYS H 1.0 0.0 3.22 300 257 A 21 CYS H A 22 ILE HG1y 1.0 0.0 4.62 301 258 A 21 CYS HA A 21 CYS HBy 1.0 0.0 3.00 302 259 A 22 ILE H A 21 CYS HA 1.0 0.0 2.89 303 260 A 21 CYS HA A 22 ILE HB 1.0 0.0 5.50 304 261 A 21 CYS HA A 22 ILE HD1% 1.0 0.0 5.01 305 262 A 21 CYS HA A 22 ILE HG1y 1.0 0.0 5.50 306 263 A 21 CYS HA A 22 ILE HG2% 1.0 0.0 4.83 307 264 A 22 ILE H A 21 CYS HBx 1.0 0.0 4.00 308 265 A 22 ILE H A 21 CYS HBy 1.0 0.0 3.78 309 266 A 22 ILE HA A 21 CYS HBy 1.0 0.0 5.05 310 267 A 21 CYS HBy A 22 ILE HG1y 1.0 0.0 5.27 311 268 A 22 ILE H A 22 ILE HB 1.0 0.0 3.86 312 269 A 22 ILE H A 22 ILE HD1% 1.0 0.0 4.64 313 270 A 22 ILE H A 22 ILE HD1% 1.0 0.0 4.64 314 271 A 22 ILE H A 22 ILE HG1x 1.0 0.0 4.18 315 272 A 22 ILE H A 22 ILE HG1y 1.0 0.0 4.09 316 273 A 22 ILE H A 22 ILE HG2% 1.0 0.0 5.14 317 274 A 22 ILE H A 23 ARG H 1.0 0.0 4.38 318 275 A 22 ILE H A 23 ARG HA 1.0 0.0 5.28 319 276 A 22 ILE HA A 22 ILE HG1y 1.0 0.0 4.18 320 277 A 22 ILE HA A 22 ILE HG2% 1.0 0.0 2.99 321 278 A 22 ILE HA A 23 ARG H 1.0 0.0 2.91 322 279 A 22 ILE HB A 22 ILE HD1% 1.0 0.0 3.57 323 280 A 22 ILE HB A 22 ILE HD1% 1.0 0.0 3.68 324 281 A 22 ILE HB A 22 ILE HG2% 1.0 0.0 2.90 325 282 A 23 ARG H A 22 ILE HB 1.0 0.0 3.32 326 283 A 24 LEU H A 22 ILE HB 1.0 0.0 4.42 327 284 A 23 ARG H A 22 ILE HD1% 1.0 0.0 4.79 328 285 A 23 ARG HA A 22 ILE HD1% 1.0 0.0 4.33 329 286 A 24 LEU H A 22 ILE HD1% 1.0 0.0 3.57 330 287 A 23 ARG H A 22 ILE HG1x 1.0 0.0 5.02 331 288 A 23 ARG H A 22 ILE HG1y 1.0 0.0 4.98 332 289 A 22 ILE HG1y A 28 THR HB 1.0 0.0 5.50 333 290 A 22 ILE HG1x A 22 ILE HG2% 1.0 0.0 3.08 334 291 A 22 ILE HG1y A 22 ILE HG2% 1.0 0.0 3.27 335 292 A 22 ILE HG1x A 22 ILE HG2% 1.0 0.0 3.36 336 293 A 23 ARG H A 22 ILE HG2% 1.0 0.0 4.46 337 294 A 24 LEU H A 22 ILE HG2% 1.0 0.0 5.50 338 295 A 23 ARG H A 22 ILE HG2% 1.0 0.0 4.61 339 296 A 24 LEU H A 22 ILE HG2% 1.0 0.0 5.50 340 297 A 23 ARG H A 23 ARG HDx 1.0 0.0 5.50 341 298 A 23 ARG H A 23 ARG HDy 1.0 0.0 5.50 342 299 A 23 ARG H A 23 ARG HBx 1.0 0.0 2.95 343 299 A 23 ARG H A 23 ARG HBy 1.0 0.0 2.95 344 300 A 23 ARG H A 23 ARG HGy 1.0 0.0 4.03 345 300 A 23 ARG H A 23 ARG HGx 1.0 0.0 4.03 346 301 A 23 ARG H A 24 LEU H 1.0 0.0 3.26 347 302 A 23 ARG H A 24 LEU HBy 1.0 0.0 5.15 348 303 A 23 ARG H A 24 LEU HG 1.0 0.0 5.27 349 304 A 23 ARG HA A 23 ARG HDx 1.0 0.0 5.50 350 305 A 23 ARG HA A 23 ARG HDy 1.0 0.0 5.50 351 306 A 23 ARG HA A 23 ARG HGx 1.0 0.0 4.07 352 307 A 23 ARG HA A 23 ARG HGy 1.0 0.0 4.07 353 308 A 23 ARG HA A 24 LEU H 1.0 0.0 3.14 354 309 A 24 LEU H A 23 ARG HBx 1.0 0.0 5.24 355 310 A 24 LEU H A 23 ARG HBy 1.0 0.0 5.24 356 311 A 23 ARG HE A 23 ARG HBx 1.0 0.0 5.34 357 311 A 23 ARG HE A 23 ARG HBy 1.0 0.0 5.34 358 312 A 24 LEU HA A 24 LEU HBx 1.0 0.0 2.92 359 313 A 24 LEU HA A 24 LEU HDy% 1.0 0.0 4.36 360 314 A 24 LEU HA A 24 LEU HDy% 1.0 0.0 4.46 361 315 A 24 LEU HA A 24 LEU HDy% 1.0 0.0 4.46 362 316 A 24 LEU HG A 24 LEU HA 1.0 0.0 3.33 363 317 A 24 LEU HA A 25 SER H 1.0 0.0 2.65 364 318 A 24 LEU HBx A 25 SER H 1.0 0.0 3.33 365 319 A 24 LEU HBx A 25 SER HBx 1.0 0.0 5.33 366 319 A 24 LEU HBx A 25 SER HBy 1.0 0.0 5.33 367 320 A 24 LEU HBx A 26 ARG H 1.0 0.0 3.46 368 321 A 25 SER H A 25 SER HBx 1.0 0.0 3.28 369 321 A 25 SER H A 25 SER HBy 1.0 0.0 3.28 370 322 A 25 SER H A 26 ARG HGy 1.0 0.0 5.34 371 322 A 25 SER H A 26 ARG HGx 1.0 0.0 5.34 372 323 A 26 ARG H A 25 SER HBx 1.0 0.0 4.37 373 323 A 25 SER HBy A 26 ARG H 1.0 0.0 4.37 374 324 A 26 ARG H A 26 ARG HGx 1.0 0.0 3.47 375 325 A 26 ARG H A 26 ARG HGy 1.0 0.0 3.47 376 326 A 26 ARG HA A 26 ARG HDx 1.0 0.0 5.50 377 327 A 26 ARG HA A 26 ARG HDy 1.0 0.0 5.50 378 328 A 26 ARG HA A 28 THR H 1.0 0.0 5.50 379 329 A 27 SER H A 26 ARG HBx 1.0 0.0 4.04 380 329 A 26 ARG HBy A 27 SER H 1.0 0.0 4.04 381 330 A 27 SER H A 26 ARG HGy 1.0 0.0 3.87 382 330 A 26 ARG HGx A 27 SER H 1.0 0.0 3.87 383 331 A 27 SER H A 27 SER HBy 1.0 0.0 3.25 384 331 A 27 SER H A 27 SER HBx 1.0 0.0 3.25 385 332 A 28 THR H A 27 SER H 1.0 0.0 4.59 386 333 A 27 SER H A 28 THR HA 1.0 0.0 5.47 387 334 A 28 THR H A 27 SER HA 1.0 0.0 3.33 388 335 A 28 THR HB A 27 SER HA 1.0 0.0 5.50 389 336 A 27 SER HA A 29 TYR H 1.0 0.0 5.22 390 337 A 28 THR H A 27 SER HBx 1.0 0.0 4.78 391 338 A 28 THR H A 27 SER HBy 1.0 0.0 4.78 392 339 A 28 THR H A 28 THR HG1 1.0 0.0 4.32 393 340 A 28 THR H A 29 TYR H 1.0 0.0 3.90 394 341 A 28 THR HA A 28 THR HG1 1.0 0.0 3.99 395 342 A 28 THR HB A 29 TYR H 1.0 0.0 4.27 396 343 A 29 TYR H A 28 THR HG1 1.0 0.0 4.93 397 344 A 29 TYR H A 29 TYR HDx 1.0 0.0 5.48 398 345 A 29 TYR H A 29 TYR HDy 1.0 0.0 5.50 399 346 A 29 TYR HDx A 29 TYR HA 1.0 0.0 4.46 400 347 A 29 TYR HDy A 29 TYR HA 1.0 0.0 4.95 401 348 A 29 TYR HA A 30 ALA H 1.0 0.0 3.52 402 349 A 30 ALA H A 29 TYR HBx 1.0 0.0 4.56 403 350 A 30 ALA H A 29 TYR HBy 1.0 0.0 4.56 404 351 A 29 TYR HDx A 30 ALA H 1.0 0.0 5.50 405 352 A 29 TYR HDx A 30 ALA HA 1.0 0.0 5.50 406 353 A 29 TYR HDy A 30 ALA H 1.0 0.0 5.50 407 354 A 30 ALA H A 31 SER H 1.0 0.0 5.22 408 355 A 31 SER H A 30 ALA HB% 1.0 0.0 5.50 409 356 A 18 THR H A 12 ARG O 1.0 0.0 2.00 410 357 A 12 ARG O A 18 THR N 1.0 0.0 3.00 411 358 A 12 ARG H A 18 THR O 1.0 0.0 2.00 412 359 A 18 THR O A 12 ARG N 1.0 0.0 3.00 413 360 A 20 SER H A 10 SER O 1.0 0.0 2.00 414 361 A 10 SER O A 20 SER N 1.0 0.0 3.00 415 362 A 10 SER H A 20 SER O 1.0 0.0 2.00 416 363 A 20 SER O A 10 SER N 1.0 0.0 3.00 417 364 A 22 ILE H A 8 GLN O 1.0 0.0 2.00 418 365 A 8 GLN O A 22 ILE N 1.0 0.0 3.00 419 366 A 22 ILE H A 9 CYS HBy 1.0 0.0 5.00 420 366 A 22 ILE H A 9 CYS HBx 1.0 0.0 5.00 421 367 A 8 GLN H A 22 ILE H 1.0 0.0 3.50 422 368 A 13 ARG HA A 17 ASN HA 1.0 0.0 4.00 423 369 A 29 TYR HDx A 14 VAL HGy% 1.0 0.0 5.50 424 369 A 29 TYR HDy A 14 VAL HGy% 1.0 0.0 5.50 425 370 A 3 VAL HB A 18 THR HG2% 1.0 0.0 6.50 426 371 A 3 VAL HGy% A 18 THR HB 1.0 0.0 5.00 427 372 B 42 ARG H B 42 ARG HGx 1.0 0.0 5.04 428 372 B 42 ARG H B 42 ARG HGy 1.0 0.0 5.04 429 373 B 42 ARG HA B 43 VAL H 1.0 0.0 2.93 430 374 B 43 VAL H B 43 VAL HB 1.0 0.0 3.79 431 375 B 43 VAL H B 43 VAL HG21 1.0 0.0 5.25 432 376 B 43 VAL H B 44 ARG H 1.0 0.0 4.23 433 377 B 44 ARG H B 43 VAL HA 1.0 0.0 3.20 434 378 B 43 VAL HB B 44 ARG H 1.0 0.0 4.74 435 379 B 43 VAL HG11 B 59 CYS HBx 1.0 0.0 5.43 436 380 B 44 ARG H B 43 VAL HG21 1.0 0.0 5.50 437 381 B 44 ARG H B 44 ARG HBx 1.0 0.0 3.31 438 381 B 44 ARG H B 44 ARG HBy 1.0 0.0 3.31 439 382 B 44 ARG H B 44 ARG HGx 1.0 0.0 4.53 440 382 B 44 ARG H B 44 ARG HGy 1.0 0.0 4.53 441 383 B 44 ARG H B 45 ARG HA 1.0 0.0 5.40 442 384 B 44 ARG H B 45 ARG HGx 1.0 0.0 5.34 443 384 B 44 ARG H B 45 ARG HGy 1.0 0.0 5.34 444 385 B 44 ARG HA B 44 ARG HDx 1.0 0.0 4.75 445 385 B 44 ARG HA B 44 ARG HDy 1.0 0.0 4.75 446 386 B 44 ARG HA B 44 ARG HGx 1.0 0.0 3.43 447 386 B 44 ARG HGy B 44 ARG HA 1.0 0.0 3.43 448 387 B 44 ARG HA B 45 ARG H 1.0 0.0 2.64 449 388 B 44 ARG HE B 44 ARG HBx 1.0 0.0 4.78 450 388 B 44 ARG HBy B 44 ARG HE 1.0 0.0 4.78 451 389 B 45 ARG H B 44 ARG HBx 1.0 0.0 3.32 452 389 B 44 ARG HBy B 45 ARG H 1.0 0.0 3.32 453 390 B 45 ARG H B 44 ARG HGx 1.0 0.0 4.00 454 390 B 44 ARG HGy B 45 ARG H 1.0 0.0 4.00 455 391 B 45 ARG H B 45 ARG HBx 1.0 0.0 3.44 456 392 B 45 ARG H B 45 ARG HGx 1.0 0.0 5.34 457 392 B 45 ARG HGy B 45 ARG H 1.0 0.0 5.34 458 393 B 45 ARG H B 46 THR H 1.0 0.0 4.48 459 394 B 45 ARG H B 46 THR HG21 1.0 0.0 5.50 460 395 B 45 ARG HA B 45 ARG HDx 1.0 0.0 5.50 461 395 B 45 ARG HA B 45 ARG HDy 1.0 0.0 5.50 462 396 B 45 ARG HA B 45 ARG HGx 1.0 0.0 5.15 463 396 B 45 ARG HA B 45 ARG HGy 1.0 0.0 5.15 464 397 B 45 ARG HA B 45 ARG HGx 1.0 0.0 3.41 465 397 B 45 ARG HA B 45 ARG HGy 1.0 0.0 3.41 466 398 B 45 ARG HA B 46 THR H 1.0 0.0 2.90 467 399 B 45 ARG HA B 46 THR HG1 1.0 0.0 5.50 468 400 B 45 ARG HA B 47 LEU HD21 1.0 0.0 6.50 469 401 B 46 THR H B 45 ARG HBx 1.0 0.0 5.04 470 401 B 46 THR H B 45 ARG HBy 1.0 0.0 5.04 471 402 B 47 LEU H B 45 ARG HBx 1.0 0.0 4.56 472 403 B 45 ARG HBy B 45 ARG HE 1.0 0.0 5.50 473 404 B 46 THR HG1 B 45 ARG HBy 1.0 0.0 4.70 474 405 B 46 THR H B 45 ARG HDx 1.0 0.0 6.50 475 405 B 46 THR H B 45 ARG HDy 1.0 0.0 6.50 476 406 B 47 LEU HD21 B 45 ARG HDx 1.0 0.0 6.50 477 406 B 45 ARG HDy B 47 LEU HD21 1.0 0.0 6.50 478 407 B 47 LEU HD21 B 45 ARG HE 1.0 0.0 6.50 479 408 B 47 LEU HD21 B 45 ARG HGx 1.0 0.0 6.34 480 408 B 45 ARG HGy B 47 LEU HD21 1.0 0.0 6.34 481 409 B 46 THR H B 46 THR HB 1.0 0.0 3.76 482 410 B 46 THR H B 46 THR HG1 1.0 0.0 3.95 483 411 B 46 THR H B 47 LEU H 1.0 0.0 3.29 484 412 B 46 THR H B 47 LEU HA 1.0 0.0 4.86 485 413 B 46 THR H B 47 LEU HD11 1.0 0.0 5.50 486 414 B 46 THR H B 48 GLN H 1.0 0.0 5.50 487 415 B 46 THR HG1 B 46 THR HA 1.0 0.0 3.82 488 416 B 47 LEU H B 46 THR HA 1.0 0.0 3.44 489 417 B 47 LEU H B 46 THR HB 1.0 0.0 4.08 490 418 B 46 THR HB B 47 LEU HBy 1.0 0.0 5.50 491 419 B 47 LEU HD21 B 46 THR HB 1.0 0.0 6.50 492 420 B 46 THR HB B 47 LEU HG 1.0 0.0 5.50 493 421 B 46 THR HG1 B 47 LEU H 1.0 0.0 4.25 494 422 B 46 THR HG1 B 47 LEU HA 1.0 0.0 5.50 495 423 B 46 THR HG1 B 47 LEU HBy 1.0 0.0 5.50 496 424 B 46 THR HG1 B 47 LEU HG 1.0 0.0 5.50 497 425 B 47 LEU H B 47 LEU HD11 1.0 0.0 5.20 498 426 B 47 LEU H B 47 LEU HD11 1.0 0.0 5.50 499 427 B 47 LEU H B 47 LEU HD11 1.0 0.0 5.50 500 428 B 47 LEU HD21 B 47 LEU H 1.0 0.0 4.24 501 429 B 47 LEU HD21 B 47 LEU H 1.0 0.0 4.43 502 430 B 47 LEU H B 47 LEU HG 1.0 0.0 2.93 503 431 B 47 LEU H B 48 GLN H 1.0 0.0 4.79 504 432 B 47 LEU HA B 47 LEU HD11 1.0 0.0 4.73 505 433 B 47 LEU HD21 B 47 LEU HA 1.0 0.0 4.92 506 434 B 47 LEU HD21 B 47 LEU HA 1.0 0.0 4.87 507 435 B 47 LEU HBx B 62 ILE H 1.0 0.0 4.77 508 436 B 47 LEU HBx B 62 ILE HA 1.0 0.0 5.45 509 437 B 47 LEU HBx B 63 ARG HA 1.0 0.0 3.37 510 438 B 47 LEU HD11 B 47 LEU HBx 1.0 0.0 3.38 511 439 B 48 GLN H B 47 LEU HBx 1.0 0.0 3.47 512 440 B 47 LEU HBx B 48 GLN HBx 1.0 0.0 4.14 513 441 B 47 LEU HBx B 48 GLN HBy 1.0 0.0 4.86 514 442 B 47 LEU HD11 B 63 ARG H 1.0 0.0 4.97 515 443 B 47 LEU HD11 B 63 ARG HA 1.0 0.0 4.14 516 444 B 47 LEU HD11 B 63 ARG HE 1.0 0.0 5.50 517 445 B 47 LEU HD11 B 64 LEU H 1.0 0.0 5.50 518 446 B 48 GLN H B 47 LEU HD11 1.0 0.0 4.13 519 447 B 47 LEU HD11 B 61 CYS HA 1.0 0.0 5.39 520 448 B 47 LEU HD11 B 61 CYS HBx 1.0 0.0 4.10 521 449 B 47 LEU HD11 B 61 CYS HBy 1.0 0.0 3.51 522 450 B 47 LEU HD11 B 62 ILE H 1.0 0.0 5.20 523 451 B 47 LEU HD11 B 62 ILE HA 1.0 0.0 4.44 524 452 B 47 LEU HD11 B 64 LEU H 1.0 0.0 5.50 525 453 B 48 GLN H B 47 LEU HD11 1.0 0.0 4.33 526 454 B 47 LEU HG B 61 CYS HA 1.0 0.0 5.32 527 455 B 47 LEU HG B 61 CYS HBx 1.0 0.0 4.44 528 456 B 47 LEU HG B 61 CYS HBy 1.0 0.0 3.45 529 457 B 47 LEU HG B 62 ILE H 1.0 0.0 5.03 530 458 B 47 LEU HG B 62 ILE HA 1.0 0.0 5.50 531 459 B 48 GLN H B 47 LEU HG 1.0 0.0 3.96 532 460 B 47 LEU HG B 49 CYS H 1.0 0.0 5.43 533 461 B 47 LEU HG B 49 CYS HBx 1.0 0.0 5.39 534 462 B 48 GLN H B 62 ILE H 1.0 0.0 3.31 535 463 B 48 GLN H B 48 GLN HBx 1.0 0.0 3.46 536 464 B 48 GLN H B 48 GLN HBy 1.0 0.0 3.54 537 465 B 48 GLN H B 48 GLN HGx 1.0 0.0 5.16 538 466 B 48 GLN H B 48 GLN HGy 1.0 0.0 5.16 539 467 B 48 GLN H B 49 CYS HBx 1.0 0.0 4.85 540 468 B 62 ILE H B 48 GLN HA 1.0 0.0 4.88 541 469 B 49 CYS H B 48 GLN HA 1.0 0.0 2.66 542 470 B 48 GLN HA B 49 CYS HBx 1.0 0.0 4.41 543 471 B 62 ILE H B 48 GLN HBx 1.0 0.0 5.50 544 472 B 48 GLN HBx B 49 CYS H 1.0 0.0 4.73 545 473 B 62 ILE H B 48 GLN HBy 1.0 0.0 4.67 546 474 B 48 GLN HBy B 62 ILE HB 1.0 0.0 5.12 547 475 B 48 GLN HBy B 49 CYS H 1.0 0.0 4.50 548 476 B 49 CYS H B 48 GLN HGy 1.0 0.0 4.41 549 476 B 49 CYS H B 48 GLN HGx 1.0 0.0 4.41 550 477 B 62 ILE H B 49 CYS H 1.0 0.0 4.98 551 478 B 49 CYS H B 62 ILE HD11 1.0 0.0 5.50 552 479 B 49 CYS H B 49 CYS HBx 1.0 0.0 3.55 553 480 B 49 CYS H B 49 CYS HBy 1.0 0.0 3.28 554 481 B 49 CYS HA B 50 SER H 1.0 0.0 2.72 555 482 B 49 CYS HA B 50 SER HBx 1.0 0.0 4.90 556 482 B 49 CYS HA B 50 SER HBy 1.0 0.0 4.90 557 483 B 49 CYS HA B 62 ILE HD11 1.0 0.0 5.12 558 484 B 50 SER H B 49 CYS HBx 1.0 0.0 5.11 559 485 B 50 SER HA B 49 CYS HBy 1.0 0.0 4.21 560 486 B 50 SER H B 50 SER HBx 1.0 0.0 3.30 561 486 B 50 SER H B 50 SER HBy 1.0 0.0 3.30 562 487 B 50 SER HA B 51 CYS H 1.0 0.0 2.40 563 488 B 50 SER HA B 51 CYS HA 1.0 0.0 4.79 564 489 B 50 SER HA B 51 CYS HBx 1.0 0.0 4.83 565 490 B 51 CYS H B 50 SER HBx 1.0 0.0 2.84 566 490 B 50 SER HBy B 51 CYS H 1.0 0.0 2.84 567 491 B 51 CYS HA B 50 SER HBx 1.0 0.0 5.34 568 491 B 50 SER HBy B 51 CYS HA 1.0 0.0 5.34 569 492 B 51 CYS H B 51 CYS HBx 1.0 0.0 2.81 570 493 B 51 CYS HA B 52 ARG H 1.0 0.0 2.71 571 494 B 51 CYS HA B 52 ARG HA 1.0 0.0 4.96 572 495 B 51 CYS HA B 58 THR H 1.0 0.0 4.54 573 496 B 51 CYS HA B 58 THR HG1 1.0 0.0 5.13 574 497 B 52 ARG H B 51 CYS HBy 1.0 0.0 2.91 575 498 B 52 ARG HA B 51 CYS HBy 1.0 0.0 5.11 576 499 B 52 ARG H B 52 ARG HBy 1.0 0.0 3.60 577 500 B 52 ARG H B 52 ARG HGx 1.0 0.0 3.58 578 501 B 52 ARG H B 52 ARG HGy 1.0 0.0 4.30 579 502 B 52 ARG H B 52 ARG HDx 1.0 0.0 4.76 580 502 B 52 ARG H B 52 ARG HDy 1.0 0.0 4.76 581 503 B 52 ARG H B 53 ARG H 1.0 0.0 4.41 582 504 B 52 ARG H B 58 THR H 1.0 0.0 3.20 583 505 B 52 ARG H B 58 THR HB 1.0 0.0 4.80 584 506 B 52 ARG H B 58 THR HG1 1.0 0.0 4.04 585 507 B 52 ARG HA B 52 ARG HBy 1.0 0.0 2.96 586 508 B 52 ARG HA B 53 ARG H 1.0 0.0 2.82 587 509 B 52 ARG HA B 53 ARG HBy 1.0 0.0 4.65 588 510 B 52 ARG HBx B 52 ARG HE 1.0 0.0 4.84 589 511 B 52 ARG HGy B 52 ARG HBx 1.0 0.0 2.97 590 512 B 52 ARG HBx B 52 ARG HDx 1.0 0.0 2.93 591 512 B 52 ARG HDy B 52 ARG HBx 1.0 0.0 2.93 592 513 B 53 ARG H B 52 ARG HBx 1.0 0.0 3.28 593 514 B 58 THR H B 52 ARG HBx 1.0 0.0 5.50 594 515 B 52 ARG HBy B 52 ARG HE 1.0 0.0 4.78 595 516 B 58 THR H B 52 ARG HBy 1.0 0.0 5.28 596 517 B 58 THR HG1 B 52 ARG HE 1.0 0.0 5.35 597 518 B 52 ARG HGx B 52 ARG HE 1.0 0.0 4.13 598 519 B 52 ARG HGx B 53 ARG H 1.0 0.0 4.74 599 520 B 58 THR H B 52 ARG HGx 1.0 0.0 5.50 600 521 B 52 ARG HGy B 53 ARG H 1.0 0.0 4.01 601 522 B 58 THR H B 52 ARG HGy 1.0 0.0 4.87 602 523 B 52 ARG HGy B 58 THR HB 1.0 0.0 5.50 603 524 B 58 THR HB B 52 ARG HDx 1.0 0.0 5.34 604 524 B 52 ARG HDy B 58 THR HB 1.0 0.0 5.34 605 525 B 58 THR HG1 B 52 ARG HDx 1.0 0.0 4.33 606 525 B 58 THR HG1 B 52 ARG HDy 1.0 0.0 4.33 607 526 B 53 ARG H B 53 ARG HBx 1.0 0.0 2.89 608 527 B 53 ARG H B 53 ARG HBy 1.0 0.0 2.95 609 528 B 53 ARG H B 53 ARG HDx 1.0 0.0 5.50 610 529 B 53 ARG H B 53 ARG HDy 1.0 0.0 5.50 611 530 B 53 ARG H B 53 ARG HGx 1.0 0.0 4.74 612 531 B 53 ARG H B 54 VAL H 1.0 0.0 4.68 613 532 B 53 ARG HDx B 53 ARG HA 1.0 0.0 4.69 614 533 B 53 ARG HA B 53 ARG HE 1.0 0.0 5.50 615 534 B 53 ARG HA B 53 ARG HGy 1.0 0.0 3.33 616 535 B 53 ARG HA B 54 VAL HB 1.0 0.0 5.48 617 536 B 53 ARG HA B 54 VAL HG11 1.0 0.0 4.32 618 537 B 53 ARG HA B 55 CYS H 1.0 0.0 4.63 619 538 B 53 ARG HA B 57 ASN H 1.0 0.0 4.53 620 539 B 53 ARG HA B 57 ASN HA 1.0 0.0 4.87 621 540 B 53 ARG HA B 57 ASN HBx 1.0 0.0 5.30 622 541 B 53 ARG HA B 57 ASN HBy 1.0 0.0 5.39 623 542 B 58 THR H B 53 ARG HA 1.0 0.0 5.25 624 543 B 53 ARG HBx B 53 ARG HGy 1.0 0.0 2.79 625 544 B 53 ARG HBx B 54 VAL H 1.0 0.0 3.63 626 545 B 53 ARG HBx B 57 ASN HA 1.0 0.0 4.90 627 546 B 53 ARG HBy B 53 ARG HDy 1.0 0.0 3.12 628 547 B 53 ARG HBy B 53 ARG HE 1.0 0.0 5.50 629 548 B 53 ARG HBy B 53 ARG HGx 1.0 0.0 2.75 630 549 B 53 ARG HBy B 54 VAL H 1.0 0.0 3.35 631 550 B 53 ARG HDx B 55 CYS H 1.0 0.0 5.29 632 551 B 53 ARG HDx B 57 ASN H 1.0 0.0 5.19 633 552 B 53 ARG HDy B 54 VAL H 1.0 0.0 5.25 634 553 B 53 ARG HDy B 55 CYS H 1.0 0.0 5.50 635 554 B 53 ARG HDy B 53 ARG HGx 1.0 0.0 2.97 636 555 B 53 ARG HGx B 54 VAL H 1.0 0.0 3.22 637 556 B 53 ARG HGx B 54 VAL HA 1.0 0.0 3.87 638 557 B 53 ARG HGx B 55 CYS H 1.0 0.0 4.68 639 558 B 53 ARG HGx B 55 CYS HA 1.0 0.0 5.19 640 559 B 53 ARG HGy B 55 CYS H 1.0 0.0 5.15 641 560 B 53 ARG HGy B 55 CYS HA 1.0 0.0 5.36 642 561 B 53 ARG HGy B 57 ASN HA 1.0 0.0 5.82 643 562 B 54 VAL H B 54 VAL HB 1.0 0.0 3.27 644 563 B 54 VAL H B 54 VAL HG11 1.0 0.0 3.61 645 564 B 54 VAL H B 55 CYS H 1.0 0.0 3.22 646 565 B 54 VAL HA B 54 VAL HG21 1.0 0.0 3.84 647 566 B 55 CYS H B 54 VAL HA 1.0 0.0 2.80 648 567 B 54 VAL HA B 55 CYS HA 1.0 0.0 4.84 649 568 B 54 VAL HA B 55 CYS HBy 1.0 0.0 4.22 650 568 B 54 VAL HA B 55 CYS HBx 1.0 0.0 4.22 651 569 B 54 VAL HB B 55 CYS H 1.0 0.0 4.73 652 570 B 55 CYS HA B 54 VAL HG11 1.0 0.0 5.38 653 571 B 54 VAL HG11 B 55 CYS HBy 1.0 0.0 5.34 654 571 B 55 CYS HBx B 54 VAL HG11 1.0 0.0 5.34 655 572 B 54 VAL HG11 B 56 ARG H 1.0 0.0 4.29 656 573 B 54 VAL HG11 B 56 ARG HA 1.0 0.0 5.77 657 574 B 54 VAL HG11 B 56 ARG HBx 1.0 0.0 4.46 658 575 B 54 VAL HG11 B 56 ARG HBy 1.0 0.0 4.74 659 576 B 57 ASN HA B 54 VAL HG11 1.0 0.0 5.50 660 577 B 55 CYS HBx B 54 VAL HG21 1.0 0.0 5.03 661 577 B 54 VAL HG21 B 55 CYS HBy 1.0 0.0 5.03 662 578 B 55 CYS H B 55 CYS HBy 1.0 0.0 3.54 663 578 B 55 CYS H B 55 CYS HBx 1.0 0.0 3.54 664 579 B 55 CYS H B 56 ARG H 1.0 0.0 3.50 665 580 B 55 CYS HA B 56 ARG H 1.0 0.0 2.97 666 581 B 55 CYS HA B 56 ARG HBx 1.0 0.0 5.50 667 582 B 57 ASN H B 55 CYS HA 1.0 0.0 5.23 668 583 B 55 CYS HBx B 56 ARG HBx 1.0 0.0 4.56 669 584 B 56 ARG HBx B 55 CYS HBy 1.0 0.0 4.56 670 585 B 56 ARG H B 55 CYS HBy 1.0 0.0 4.04 671 585 B 55 CYS HBx B 56 ARG H 1.0 0.0 4.04 672 586 B 55 CYS HBy B 56 ARG HDx 1.0 0.0 4.29 673 586 B 55 CYS HBx B 56 ARG HDx 1.0 0.0 4.29 674 586 B 56 ARG HDy B 55 CYS HBy 1.0 0.0 4.29 675 586 B 55 CYS HBx B 56 ARG HDy 1.0 0.0 4.29 676 587 B 56 ARG H B 56 ARG HBx 1.0 0.0 3.86 677 588 B 57 ASN H B 56 ARG H 1.0 0.0 3.46 678 589 B 57 ASN HA B 56 ARG H 1.0 0.0 5.28 679 590 B 56 ARG HA B 56 ARG HGx 1.0 0.0 4.08 680 591 B 56 ARG HA B 56 ARG HGy 1.0 0.0 4.08 681 592 B 56 ARG HA B 56 ARG HDx 1.0 0.0 4.21 682 592 B 56 ARG HA B 56 ARG HDy 1.0 0.0 4.21 683 593 B 57 ASN H B 56 ARG HA 1.0 0.0 2.61 684 594 B 57 ASN HBx B 56 ARG HA 1.0 0.0 5.29 685 595 B 56 ARG HBx B 56 ARG HDx 1.0 0.0 2.63 686 595 B 56 ARG HBx B 56 ARG HDy 1.0 0.0 2.63 687 596 B 57 ASN H B 56 ARG HBy 1.0 0.0 4.27 688 597 B 58 THR H B 56 ARG HBy 1.0 0.0 5.50 689 598 B 57 ASN H B 56 ARG HGy 1.0 0.0 4.30 690 598 B 57 ASN H B 56 ARG HGx 1.0 0.0 4.30 691 599 B 57 ASN H B 57 ASN HBx 1.0 0.0 3.30 692 600 B 57 ASN H B 57 ASN HBy 1.0 0.0 3.57 693 601 B 57 ASN H B 57 ASN HD2x 1.0 0.0 5.50 694 602 B 58 THR H B 57 ASN H 1.0 0.0 4.33 695 603 B 58 THR H B 57 ASN HA 1.0 0.0 2.98 696 604 B 58 THR HG1 B 57 ASN HA 1.0 0.0 4.57 697 605 B 58 THR H B 57 ASN HBx 1.0 0.0 4.31 698 606 B 57 ASN HBx B 58 THR HA 1.0 0.0 5.50 699 607 B 58 THR H B 57 ASN HBy 1.0 0.0 4.11 700 608 B 57 ASN HBy B 58 THR HA 1.0 0.0 5.11 701 609 B 58 THR H B 58 THR HB 1.0 0.0 3.72 702 610 B 58 THR H B 58 THR HG1 1.0 0.0 3.63 703 611 B 58 THR HG1 B 58 THR HA 1.0 0.0 3.73 704 612 B 58 THR HA B 59 CYS H 1.0 0.0 2.82 705 613 B 59 CYS HBx B 58 THR HA 1.0 0.0 4.13 706 614 B 58 THR HB B 59 CYS H 1.0 0.0 4.39 707 615 B 58 THR HG1 B 59 CYS H 1.0 0.0 4.91 708 616 B 59 CYS HBx B 59 CYS H 1.0 0.0 3.12 709 617 B 59 CYS H B 59 CYS HBy 1.0 0.0 3.53 710 618 B 59 CYS HA B 60 SER H 1.0 0.0 2.85 711 619 B 59 CYS HA B 60 SER HBx 1.0 0.0 5.34 712 619 B 59 CYS HA B 60 SER HBy 1.0 0.0 5.34 713 620 B 60 SER HA B 61 CYS H 1.0 0.0 2.47 714 621 B 60 SER HA B 62 ILE HG1y 1.0 0.0 5.50 715 622 B 61 CYS H B 60 SER HBx 1.0 0.0 3.58 716 622 B 60 SER HBy B 61 CYS H 1.0 0.0 3.58 717 623 B 61 CYS HA B 60 SER HBx 1.0 0.0 5.26 718 623 B 61 CYS HA B 60 SER HBy 1.0 0.0 5.26 719 624 B 60 SER HBy B 62 ILE HD11 1.0 0.0 5.34 720 624 B 62 ILE HD11 B 60 SER HBx 1.0 0.0 5.34 721 625 B 62 ILE HG1y B 60 SER HBx 1.0 0.0 4.33 722 625 B 60 SER HBy B 62 ILE HG1y 1.0 0.0 4.33 723 626 B 60 SER HBy B 62 ILE HG21 1.0 0.0 4.28 724 626 B 62 ILE HG21 B 60 SER HBx 1.0 0.0 4.28 725 627 B 61 CYS HBx B 61 CYS H 1.0 0.0 3.22 726 628 B 61 CYS H B 62 ILE HG1y 1.0 0.0 4.62 727 629 B 61 CYS HA B 61 CYS HBy 1.0 0.0 3.00 728 630 B 62 ILE H B 61 CYS HA 1.0 0.0 2.89 729 631 B 61 CYS HA B 62 ILE HB 1.0 0.0 5.50 730 632 B 61 CYS HA B 62 ILE HD11 1.0 0.0 5.01 731 633 B 61 CYS HA B 62 ILE HG1y 1.0 0.0 5.50 732 634 B 61 CYS HA B 62 ILE HG21 1.0 0.0 4.83 733 635 B 62 ILE H B 61 CYS HBx 1.0 0.0 4.00 734 636 B 62 ILE H B 61 CYS HBy 1.0 0.0 3.78 735 637 B 62 ILE HA B 61 CYS HBy 1.0 0.0 5.05 736 638 B 61 CYS HBy B 62 ILE HG1y 1.0 0.0 5.27 737 639 B 62 ILE H B 62 ILE HB 1.0 0.0 3.86 738 640 B 62 ILE H B 62 ILE HD11 1.0 0.0 4.64 739 641 B 62 ILE H B 62 ILE HD11 1.0 0.0 4.64 740 642 B 62 ILE H B 62 ILE HG1x 1.0 0.0 4.18 741 643 B 62 ILE H B 62 ILE HG1y 1.0 0.0 4.09 742 644 B 62 ILE H B 62 ILE HG21 1.0 0.0 5.14 743 645 B 62 ILE H B 63 ARG H 1.0 0.0 4.38 744 646 B 62 ILE H B 63 ARG HA 1.0 0.0 5.28 745 647 B 62 ILE HA B 62 ILE HG1y 1.0 0.0 4.18 746 648 B 62 ILE HA B 62 ILE HG21 1.0 0.0 2.99 747 649 B 62 ILE HA B 63 ARG H 1.0 0.0 2.91 748 650 B 62 ILE HB B 62 ILE HD11 1.0 0.0 3.57 749 651 B 62 ILE HB B 62 ILE HD11 1.0 0.0 3.68 750 652 B 62 ILE HB B 62 ILE HG21 1.0 0.0 2.90 751 653 B 63 ARG H B 62 ILE HB 1.0 0.0 3.32 752 654 B 64 LEU H B 62 ILE HB 1.0 0.0 4.42 753 655 B 63 ARG H B 62 ILE HD11 1.0 0.0 4.79 754 656 B 63 ARG HA B 62 ILE HD11 1.0 0.0 4.33 755 657 B 64 LEU H B 62 ILE HD11 1.0 0.0 3.57 756 658 B 63 ARG H B 62 ILE HG1x 1.0 0.0 5.02 757 659 B 63 ARG H B 62 ILE HG1y 1.0 0.0 4.98 758 660 B 62 ILE HG1y B 68 THR HB 1.0 0.0 5.50 759 661 B 62 ILE HG1x B 62 ILE HG21 1.0 0.0 3.08 760 662 B 62 ILE HG1y B 62 ILE HG21 1.0 0.0 3.27 761 663 B 62 ILE HG1x B 62 ILE HG21 1.0 0.0 3.36 762 664 B 63 ARG H B 62 ILE HG21 1.0 0.0 4.46 763 665 B 64 LEU H B 62 ILE HG21 1.0 0.0 5.50 764 666 B 63 ARG H B 62 ILE HG21 1.0 0.0 4.61 765 667 B 64 LEU H B 62 ILE HG21 1.0 0.0 5.50 766 668 B 63 ARG H B 63 ARG HDx 1.0 0.0 5.50 767 669 B 63 ARG H B 63 ARG HDy 1.0 0.0 5.50 768 670 B 63 ARG H B 63 ARG HBx 1.0 0.0 2.95 769 670 B 63 ARG H B 63 ARG HBy 1.0 0.0 2.95 770 671 B 63 ARG H B 63 ARG HGy 1.0 0.0 4.03 771 671 B 63 ARG H B 63 ARG HGx 1.0 0.0 4.03 772 672 B 63 ARG H B 64 LEU H 1.0 0.0 3.26 773 673 B 63 ARG H B 64 LEU HBx 1.0 0.0 5.15 774 674 B 63 ARG H B 64 LEU HG 1.0 0.0 5.27 775 675 B 63 ARG HA B 63 ARG HDx 1.0 0.0 5.50 776 676 B 63 ARG HA B 63 ARG HDy 1.0 0.0 5.50 777 677 B 63 ARG HA B 63 ARG HGx 1.0 0.0 4.07 778 678 B 63 ARG HA B 63 ARG HGy 1.0 0.0 4.07 779 679 B 63 ARG HA B 64 LEU H 1.0 0.0 3.14 780 680 B 64 LEU H B 63 ARG HBx 1.0 0.0 5.24 781 681 B 64 LEU H B 63 ARG HBy 1.0 0.0 5.24 782 682 B 63 ARG HE B 63 ARG HBx 1.0 0.0 5.34 783 682 B 63 ARG HE B 63 ARG HBy 1.0 0.0 5.34 784 683 B 64 LEU HA B 64 LEU HBy 1.0 0.0 2.92 785 684 B 64 LEU HA B 64 LEU HD21 1.0 0.0 4.36 786 685 B 64 LEU HA B 64 LEU HD21 1.0 0.0 4.46 787 686 B 64 LEU HA B 64 LEU HD21 1.0 0.0 4.46 788 687 B 64 LEU HG B 64 LEU HA 1.0 0.0 3.33 789 688 B 64 LEU HA B 65 SER H 1.0 0.0 2.65 790 689 B 64 LEU HBy B 65 SER H 1.0 0.0 3.33 791 690 B 64 LEU HBy B 65 SER HBx 1.0 0.0 5.33 792 690 B 64 LEU HBy B 65 SER HBy 1.0 0.0 5.33 793 691 B 64 LEU HBy B 66 ARG H 1.0 0.0 3.46 794 692 B 65 SER H B 65 SER HBx 1.0 0.0 3.28 795 692 B 65 SER H B 65 SER HBy 1.0 0.0 3.28 796 693 B 65 SER H B 66 ARG HGy 1.0 0.0 5.34 797 693 B 65 SER H B 66 ARG HGx 1.0 0.0 5.34 798 694 B 66 ARG H B 65 SER HBx 1.0 0.0 4.37 799 694 B 65 SER HBy B 66 ARG H 1.0 0.0 4.37 800 695 B 66 ARG H B 66 ARG HGx 1.0 0.0 3.47 801 696 B 66 ARG H B 66 ARG HGy 1.0 0.0 3.47 802 697 B 66 ARG HA B 66 ARG HDx 1.0 0.0 5.50 803 698 B 66 ARG HA B 66 ARG HDy 1.0 0.0 5.50 804 699 B 66 ARG HA B 68 THR H 1.0 0.0 5.50 805 700 B 67 SER H B 66 ARG HBx 1.0 0.0 4.04 806 700 B 66 ARG HBy B 67 SER H 1.0 0.0 4.04 807 701 B 67 SER H B 66 ARG HGy 1.0 0.0 3.87 808 701 B 66 ARG HGx B 67 SER H 1.0 0.0 3.87 809 702 B 67 SER H B 67 SER HBy 1.0 0.0 3.25 810 702 B 67 SER H B 67 SER HBx 1.0 0.0 3.25 811 703 B 68 THR H B 67 SER H 1.0 0.0 4.59 812 704 B 67 SER H B 68 THR HA 1.0 0.0 5.47 813 705 B 68 THR H B 67 SER HA 1.0 0.0 3.33 814 706 B 68 THR HB B 67 SER HA 1.0 0.0 5.50 815 707 B 67 SER HA B 69 TYR H 1.0 0.0 5.22 816 708 B 68 THR H B 67 SER HBx 1.0 0.0 4.78 817 709 B 68 THR H B 67 SER HBy 1.0 0.0 4.78 818 710 B 68 THR H B 68 THR HG1 1.0 0.0 4.32 819 711 B 68 THR H B 69 TYR H 1.0 0.0 3.90 820 712 B 68 THR HA B 68 THR HG1 1.0 0.0 3.99 821 713 B 68 THR HB B 69 TYR H 1.0 0.0 4.27 822 714 B 69 TYR H B 68 THR HG1 1.0 0.0 4.93 823 715 B 69 TYR H B 69 TYR HDx 1.0 0.0 5.48 824 716 B 69 TYR H B 69 TYR HDy 1.0 0.0 5.50 825 717 B 69 TYR HDx B 69 TYR HA 1.0 0.0 4.46 826 718 B 69 TYR HDy B 69 TYR HA 1.0 0.0 4.95 827 719 B 69 TYR HA B 70 ALA H 1.0 0.0 3.52 828 720 B 70 ALA H B 69 TYR HBx 1.0 0.0 4.56 829 721 B 70 ALA H B 69 TYR HBy 1.0 0.0 4.56 830 722 B 69 TYR HDx B 70 ALA H 1.0 0.0 5.50 831 723 B 69 TYR HDx B 70 ALA HA 1.0 0.0 5.50 832 724 B 69 TYR HDy B 70 ALA H 1.0 0.0 5.50 833 725 B 70 ALA H B 71 SER H 1.0 0.0 5.22 834 726 B 71 SER H B 70 ALA HB1 1.0 0.0 5.50 835 727 B 58 THR H B 52 ARG O 1.0 0.0 2.00 836 728 B 52 ARG O B 58 THR N 1.0 0.0 3.00 837 729 B 52 ARG H B 58 THR O 1.0 0.0 2.00 838 730 B 58 THR O B 52 ARG N 1.0 0.0 3.00 839 731 B 60 SER H B 50 SER O 1.0 0.0 2.00 840 732 B 50 SER O B 60 SER N 1.0 0.0 3.00 841 733 B 50 SER H B 60 SER O 1.0 0.0 2.00 842 734 B 60 SER O B 50 SER N 1.0 0.0 3.00 843 735 B 62 ILE H B 48 GLN O 1.0 0.0 2.00 844 736 B 48 GLN O B 62 ILE N 1.0 0.0 3.00 845 737 B 62 ILE H B 49 CYS HBy 1.0 0.0 5.00 846 737 B 62 ILE H B 49 CYS HBx 1.0 0.0 5.00 847 738 B 48 GLN H B 62 ILE H 1.0 0.0 3.50 848 739 B 53 ARG HA B 57 ASN HA 1.0 0.0 4.00 849 740 B 69 TYR HDx B 54 VAL HG21 1.0 0.0 5.50 850 740 B 69 TYR HDy B 54 VAL HG21 1.0 0.0 5.50 851 741 B 43 VAL HB B 58 THR HG21 1.0 0.0 6.50 852 742 B 43 VAL HG21 B 58 THR HB 1.0 0.0 5.00 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 7 LEU C A 8 GLN N A 8 GLN CA A 8 GLN C 1.0 -170.0 -110.0 PHI 2 2 A 8 GLN C A 9 CYS N A 9 CYS CA A 9 CYS C 1.0 -160.0 -120.0 PHI 3 3 A 9 CYS C A 10 SER N A 10 SER CA A 10 SER C 1.0 -160.0 -120.0 PHI 4 4 A 10 SER C A 11 CYS N A 11 CYS CA A 11 CYS C 1.0 -160.0 -120.0 PHI 5 5 A 11 CYS C A 12 ARG N A 12 ARG CA A 12 ARG C 1.0 -160.0 -120.0 PHI 6 6 A 17 ASN C A 18 THR N A 18 THR CA A 18 THR C 1.0 -160.0 -120.0 PHI 7 7 A 18 THR C A 19 CYS N A 19 CYS CA A 19 CYS C 1.0 -160.0 -120.0 PHI 8 8 A 19 CYS C A 20 SER N A 20 SER CA A 20 SER C 1.0 -160.0 -120.0 PHI 9 9 A 20 SER C A 21 CYS N A 21 CYS CA A 21 CYS C 1.0 -160.0 -120.0 PHI 10 10 A 21 CYS C A 22 ILE N A 22 ILE CA A 22 ILE C 1.0 -170.0 -110.0 PHI 11 11 A 8 GLN N A 8 GLN CA A 8 GLN C A 9 CYS N 1.0 100.0 170.0 PSI 12 12 A 9 CYS N A 9 CYS CA A 9 CYS C A 10 SER N 1.0 110.0 160.0 PSI 13 13 A 10 SER N A 10 SER CA A 10 SER C A 11 CYS N 1.0 110.0 160.0 PSI 14 14 A 11 CYS N A 11 CYS CA A 11 CYS C A 12 ARG N 1.0 110.0 160.0 PSI 15 15 A 12 ARG N A 12 ARG CA A 12 ARG C A 13 ARG N 1.0 110.0 160.0 PSI 16 16 A 18 THR N A 18 THR CA A 18 THR C A 19 CYS N 1.0 110.0 160.0 PSI 17 17 A 19 CYS N A 19 CYS CA A 19 CYS C A 20 SER N 1.0 110.0 160.0 PSI 18 18 A 20 SER N A 20 SER CA A 20 SER C A 21 CYS N 1.0 110.0 160.0 PSI 19 19 A 21 CYS N A 21 CYS CA A 21 CYS C A 22 ILE N 1.0 110.0 160.0 PSI 20 20 A 22 ILE N A 22 ILE CA A 22 ILE C A 23 ARG N 1.0 100.0 170.0 PSI 21 21 B 47 LEU C B 48 GLN N B 48 GLN CA B 48 GLN C 1.0 -170.0 -110.0 PHI 22 22 B 48 GLN C B 49 CYS N B 49 CYS CA B 49 CYS C 1.0 -160.0 -120.0 PHI 23 23 B 49 CYS C B 50 SER N B 50 SER CA B 50 SER C 1.0 -160.0 -120.0 PHI 24 24 B 50 SER C B 51 CYS N B 51 CYS CA B 51 CYS C 1.0 -160.0 -120.0 PHI 25 25 B 51 CYS C B 52 ARG N B 52 ARG CA B 52 ARG C 1.0 -160.0 -120.0 PHI 26 26 B 57 ASN C B 58 THR N B 58 THR CA B 58 THR C 1.0 -160.0 -120.0 PHI 27 27 B 58 THR C B 59 CYS N B 59 CYS CA B 59 CYS C 1.0 -160.0 -120.0 PHI 28 28 B 59 CYS C B 60 SER N B 60 SER CA B 60 SER C 1.0 -160.0 -120.0 PHI 29 29 B 60 SER C B 61 CYS N B 61 CYS CA B 61 CYS C 1.0 -160.0 -120.0 PHI 30 30 B 61 CYS C B 62 ILE N B 62 ILE CA B 62 ILE C 1.0 -170.0 -110.0 PHI 31 31 B 48 GLN N B 48 GLN CA B 48 GLN C B 49 CYS N 1.0 100.0 170.0 PSI 32 32 B 49 CYS N B 49 CYS CA B 49 CYS C B 50 SER N 1.0 110.0 160.0 PSI 33 33 B 50 SER N B 50 SER CA B 50 SER C B 51 CYS N 1.0 110.0 160.0 PSI 34 34 B 51 CYS N B 51 CYS CA B 51 CYS C B 52 ARG N 1.0 110.0 160.0 PSI 35 35 B 52 ARG N B 52 ARG CA B 52 ARG C B 53 ARG N 1.0 110.0 160.0 PSI 36 36 B 58 THR N B 58 THR CA B 58 THR C B 59 CYS N 1.0 110.0 160.0 PSI 37 37 B 59 CYS N B 59 CYS CA B 59 CYS C B 60 SER N 1.0 110.0 160.0 PSI 38 38 B 60 SER N B 60 SER CA B 60 SER C B 61 CYS N 1.0 110.0 160.0 PSI 39 39 B 61 CYS N B 61 CYS CA B 61 CYS C B 62 ILE N 1.0 110.0 160.0 PSI 40 40 B 62 ILE N B 62 ILE CA B 62 ILE C B 63 ARG N 1.0 100.0 170.0 PSI stop_ save_