data_nef_c16073_2kcg 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 4 CYS SG 1 20 CYS SG 1 8 CYS SG 1 22 CYS SG 1 13 CYS SG 1 27 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 cyclic . false 2 A 2 ILE middle . . 3 A 3 PRO middle . false 4 A 4 CYS middle -HG . 5 A 5 GLY middle . false 6 A 6 GLU middle . . 7 A 7 SER middle . . 8 A 8 CYS middle -HG . 9 A 9 VAL middle . . 10 A 10 TRP middle . . 11 A 11 ILE middle . . 12 A 12 PRO middle . false 13 A 13 CYS middle -HG . 14 A 14 ILE middle . . 15 A 15 SER middle . . 16 A 16 SER middle . . 17 A 17 ALA middle . . 18 A 18 ILE middle . . 19 A 19 GLY middle . false 20 A 20 CYS middle -HG . 21 A 21 SER middle . . 22 A 22 CYS middle -HG . 23 A 23 LYS middle . . 24 A 24 SER middle . . 25 A 25 LYS middle . . 26 A 26 VAL middle . . 27 A 27 CYS middle -HG . 28 A 28 TYR middle . . 29 A 29 ARG middle . . 30 A 30 ASN cyclic . . 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 H1 H 1 8.531 0.000 A 1 GLY HAy H 1 4.138 0.000 A 1 GLY HAx H 1 3.455 0.000 A 2 ILE H H 1 8.038 0.000 A 2 ILE HA H 1 4.766 0.000 A 2 ILE HB H 1 2.148 0.000 A 2 ILE HD1% H 1 0.876 0.000 A 2 ILE HG1y H 1 1.542 0.000 A 2 ILE HG1x H 1 1.280 0.000 A 2 ILE HG2% H 1 1.004 0.000 A 3 PRO HA H 1 4.128 0.000 A 3 PRO HBy H 1 2.150 0.000 A 3 PRO HBx H 1 2.117 0.000 A 3 PRO HDy H 1 4.059 0.000 A 3 PRO HDx H 1 3.831 0.000 A 3 PRO HGy H 1 1.951 0.000 A 3 PRO HGx H 1 1.840 0.000 A 4 CYS H H 1 8.441 0.000 A 4 CYS HA H 1 4.541 0.000 A 4 CYS HBy H 1 3.169 0.000 A 4 CYS HBx H 1 3.046 0.000 A 5 GLY H H 1 8.861 0.000 A 5 GLY HAy H 1 4.035 0.000 A 5 GLY HAx H 1 3.645 0.000 A 6 GLU H H 1 7.629 0.000 A 6 GLU HA H 1 4.563 0.000 A 6 GLU HBy H 1 1.832 0.000 A 6 GLU HBx H 1 1.690 0.000 A 6 GLU HGy H 1 2.381 0.000 A 6 GLU HGx H 1 2.238 0.000 A 7 SER H H 1 8.775 0.000 A 7 SER HA H 1 4.689 0.000 A 7 SER HBy H 1 3.974 0.000 A 7 SER HBx H 1 3.900 0.000 A 8 CYS H H 1 8.006 0.000 A 8 CYS HA H 1 5.324 0.000 A 8 CYS HBy H 1 3.232 0.000 A 8 CYS HBx H 1 3.133 0.000 A 9 VAL H H 1 7.917 0.000 A 9 VAL HA H 1 3.376 0.000 A 9 VAL HB H 1 1.594 0.000 A 9 VAL HGx% H 1 0.871 0.000 A 9 VAL HGy% H 1 0.097 0.000 A 10 TRP H H 1 8.181 0.000 A 10 TRP HA H 1 4.835 0.000 A 10 TRP HBy H 1 3.443 0.000 A 10 TRP HBx H 1 3.106 0.000 A 10 TRP HD1 H 1 7.200 0.000 A 10 TRP HE1 H 1 10.085 0.000 A 10 TRP HE3 H 1 7.695 0.000 A 10 TRP HZ2 H 1 7.451 0.000 A 11 ILE H H 1 7.502 0.000 A 11 ILE HA H 1 4.715 0.000 A 11 ILE HB H 1 1.926 0.000 A 11 ILE HD1% H 1 0.874 0.000 A 11 ILE HG2% H 1 0.975 0.000 A 12 PRO HA H 1 4.376 0.000 A 12 PRO HBy H 1 2.360 0.000 A 12 PRO HBx H 1 1.785 0.000 A 12 PRO HDx H 1 3.732 0.000 A 12 PRO HGy H 1 1.955 0.000 A 12 PRO HGx H 1 1.892 0.000 A 13 CYS H H 1 8.302 0.000 A 13 CYS HA H 1 4.230 0.000 A 13 CYS HBy H 1 3.000 0.000 A 13 CYS HBx H 1 2.653 0.000 A 14 ILE H H 1 9.342 0.000 A 14 ILE HA H 1 4.223 0.000 A 15 SER H H 1 9.647 0.000 A 15 SER HA H 1 4.401 0.000 A 15 SER HBy H 1 4.180 0.000 A 15 SER HBx H 1 3.942 0.000 A 16 SER H H 1 7.753 0.000 A 16 SER HA H 1 4.651 0.000 A 16 SER HBx H 1 3.932 0.000 A 16 SER HBy H 1 3.932 0.000 A 17 ALA H H 1 8.329 0.000 A 17 ALA HA H 1 4.278 0.000 A 17 ALA HB% H 1 1.443 0.000 A 18 ILE H H 1 7.275 0.000 A 18 ILE HA H 1 4.421 0.000 A 18 ILE HB H 1 2.106 0.000 A 18 ILE HD1% H 1 1.151 0.000 A 18 ILE HG1x H 1 1.427 0.000 A 18 ILE HG1y H 1 1.427 0.000 A 18 ILE HG2% H 1 0.878 0.000 A 19 GLY H H 1 7.870 0.000 A 19 GLY HAy H 1 4.310 0.000 A 19 GLY HAx H 1 3.742 0.000 A 20 CYS H H 1 7.618 0.000 A 20 CYS HA H 1 4.797 0.000 A 20 CYS HBy H 1 3.195 0.000 A 20 CYS HBx H 1 2.452 0.000 A 21 SER H H 1 9.389 0.000 A 21 SER HA H 1 4.710 0.000 A 21 SER HBx H 1 3.832 0.000 A 21 SER HBy H 1 3.832 0.000 A 22 CYS H H 1 8.752 0.000 A 22 CYS HA H 1 4.645 0.000 A 22 CYS HBx H 1 3.081 0.000 A 22 CYS HBy H 1 3.081 0.000 A 23 LYS H H 1 9.574 0.000 A 23 LYS HA H 1 4.604 0.000 A 23 LYS HBx H 1 1.861 0.000 A 23 LYS HBy H 1 1.861 0.000 A 23 LYS HDy H 1 1.501 0.000 A 23 LYS HDx H 1 1.440 0.000 A 23 LYS HEx H 1 2.790 0.000 A 23 LYS HEy H 1 2.790 0.000 A 23 LYS HGx H 1 1.282 0.000 A 23 LYS HGy H 1 1.282 0.000 A 23 LYS HZ1 H 1 7.342 0.000 A 23 LYS HZ2 H 1 7.342 0.000 A 23 LYS HZ3 H 1 7.342 0.000 A 24 SER H H 1 9.233 0.000 A 24 SER HA H 1 4.714 0.000 A 24 SER HBy H 1 4.070 0.000 A 24 SER HBx H 1 3.844 0.000 A 25 LYS H H 1 8.111 0.000 A 25 LYS HA H 1 3.501 0.000 A 25 LYS HBy H 1 2.228 0.000 A 25 LYS HBx H 1 1.865 0.000 A 25 LYS HDy H 1 1.589 0.000 A 25 LYS HDx H 1 1.535 0.000 A 25 LYS HEx H 1 2.879 0.000 A 25 LYS HEy H 1 2.879 0.000 A 25 LYS HGx H 1 1.235 0.000 A 25 LYS HGy H 1 1.235 0.000 A 25 LYS HZ1 H 1 7.433 0.000 A 25 LYS HZ2 H 1 7.433 0.000 A 25 LYS HZ3 H 1 7.433 0.000 A 26 VAL H H 1 7.957 0.000 A 26 VAL HA H 1 4.191 0.000 A 26 VAL HB H 1 1.996 0.000 A 26 VAL HGx% H 1 0.923 0.000 A 26 VAL HGy% H 1 0.518 0.000 A 27 CYS H H 1 7.700 0.000 A 27 CYS HA H 1 5.068 0.000 A 27 CYS HBy H 1 3.073 0.000 A 27 CYS HBx H 1 2.625 0.000 A 28 TYR H H 1 9.577 0.000 A 28 TYR HA H 1 5.110 0.000 A 28 TYR HBy H 1 2.780 0.000 A 28 TYR HBx H 1 2.645 0.000 A 28 TYR HDy H 1 6.869 0.000 A 28 TYR HDx H 1 6.769 0.000 A 29 ARG H H 1 9.293 0.000 A 29 ARG HA H 1 4.712 0.000 A 29 ARG HBy H 1 1.824 0.000 A 29 ARG HBx H 1 1.725 0.000 A 29 ARG HDy H 1 3.206 0.000 A 29 ARG HDx H 1 3.115 0.000 A 29 ARG HE H 1 7.133 0.000 A 29 ARG HGy H 1 1.609 0.000 A 29 ARG HGx H 1 1.418 0.000 A 30 ASN H H 1 9.524 0.000 A 30 ASN HA H 1 4.338 0.000 A 30 ASN HBy H 1 3.067 0.000 A 30 ASN HBx H 1 2.802 0.000 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 2 ILE H A 2 ILE HB 1.0 1.8 2.65 2 2 A 2 ILE H A 29 ARG H 1.0 1.8 3.08 3 3 A 3 PRO HA A 4 CYS H 1.0 1.8 2.43 4 4 A 3 PRO HA A 5 GLY H 1.0 1.8 4.14 5 5 A 29 ARG H A 3 PRO HA 1.0 1.8 3.79 6 6 A 4 CYS HA A 4 CYS HBx 1.0 1.8 3.00 7 7 A 4 CYS HA A 4 CYS HBy 1.0 1.8 3.00 8 8 A 4 CYS H A 4 CYS HBx 1.0 1.8 3.49 9 9 A 4 CYS H A 4 CYS HBy 1.0 1.8 3.49 10 10 A 4 CYS H A 5 GLY H 1.0 1.8 2.96 11 11 A 29 ARG H A 4 CYS H 1.0 1.8 4.14 12 12 A 6 GLU H A 5 GLY HAx 1.0 1.8 3.52 13 13 A 6 GLU H A 5 GLY HAy 1.0 1.8 3.52 14 14 A 6 GLU HA A 6 GLU HBx 1.0 1.8 2.96 15 15 A 6 GLU HA A 6 GLU HBy 1.0 1.8 2.96 16 16 A 6 GLU HA A 7 SER H 1.0 1.8 2.46 17 17 A 6 GLU H A 6 GLU HBx 1.0 1.8 3.52 18 18 A 6 GLU H A 6 GLU HBy 1.0 1.8 3.52 19 19 A 7 SER H A 6 GLU HBx 1.0 1.8 3.64 20 20 A 7 SER H A 6 GLU HBy 1.0 1.8 3.91 21 21 A 4 CYS H A 6 GLU H 1.0 1.8 4.11 22 22 A 5 GLY H A 6 GLU H 1.0 1.8 2.80 23 23 A 7 SER HA A 8 CYS H 1.0 1.8 3.08 24 24 A 7 SER HA A 26 VAL HA 1.0 1.8 3.67 25 25 A 7 SER HA A 27 CYS H 1.0 1.8 3.92 26 26 A 7 SER H A 7 SER HBx 1.0 1.8 3.72 27 27 A 7 SER H A 7 SER HBy 1.0 1.8 3.72 28 28 A 8 CYS H A 7 SER HBx 1.0 1.8 3.42 29 29 A 9 VAL H A 7 SER HBx 1.0 1.8 4.85 30 30 A 8 CYS H A 7 SER HBy 1.0 1.8 3.90 31 31 A 9 VAL H A 7 SER HBy 1.0 1.8 4.85 32 32 A 8 CYS HA A 8 CYS HBx 1.0 1.8 2.80 33 33 A 8 CYS HA A 8 CYS HBy 1.0 1.8 2.80 34 34 A 9 VAL H A 8 CYS HA 1.0 1.8 3.08 35 35 A 8 CYS HA A 10 TRP H 1.0 1.8 4.26 36 36 A 8 CYS HA A 11 ILE H 1.0 1.8 3.76 37 37 A 9 VAL H A 8 CYS HBx 1.0 1.8 4.94 38 38 A 9 VAL H A 8 CYS HBy 1.0 1.8 4.94 39 39 A 9 VAL H A 9 VAL HB 1.0 1.8 2.77 40 40 A 10 TRP H A 9 VAL HB 1.0 1.8 2.90 41 41 A 9 VAL H A 10 TRP H 1.0 1.8 3.05 42 42 A 10 TRP H A 10 TRP HBx 1.0 1.8 3.62 43 43 A 10 TRP H A 10 TRP HBy 1.0 1.8 3.62 44 44 A 11 ILE H A 10 TRP HBx 1.0 1.8 3.79 45 45 A 11 ILE H A 10 TRP HBy 1.0 1.8 3.79 46 46 A 11 ILE H A 11 ILE HB 1.0 1.8 3.61 47 47 A 9 VAL H A 11 ILE H 1.0 1.8 4.29 48 48 A 10 TRP H A 11 ILE H 1.0 1.8 2.71 49 49 A 12 PRO HA A 8 CYS HBx 1.0 1.8 4.07 50 50 A 12 PRO HA A 8 CYS HBy 1.0 1.8 4.07 51 51 A 12 PRO HA A 13 CYS H 1.0 1.8 2.65 52 52 A 13 CYS H A 12 PRO HBx 1.0 1.8 3.39 53 53 A 13 CYS H A 12 PRO HBy 1.0 1.8 3.39 54 54 A 13 CYS H A 13 CYS HBx 1.0 1.8 3.61 55 55 A 16 SER H A 13 CYS HBx 1.0 1.8 3.70 56 56 A 13 CYS H A 13 CYS HBy 1.0 1.8 3.61 57 57 A 16 SER H A 13 CYS HBy 1.0 1.8 3.70 58 58 A 16 SER H A 15 SER HA 1.0 1.8 3.39 59 59 A 16 SER HA A 20 CYS H 1.0 1.8 3.45 60 60 A 16 SER H A 17 ALA H 1.0 1.8 3.24 61 61 A 16 SER H A 16 SER HBx 1.0 1.8 4.00 62 61 A 16 SER H A 16 SER HBy 1.0 1.8 4.00 63 62 A 17 ALA H A 16 SER HBx 1.0 1.8 4.77 64 62 A 17 ALA H A 16 SER HBy 1.0 1.8 4.77 65 63 A 17 ALA HA A 18 ILE H 1.0 1.8 3.36 66 64 A 18 ILE HA A 18 ILE HB 1.0 1.8 2.90 67 65 A 18 ILE HA A 19 GLY H 1.0 1.8 3.33 68 66 A 18 ILE H A 18 ILE HB 1.0 1.8 3.54 69 67 A 17 ALA H A 18 ILE H 1.0 1.8 3.30 70 68 A 18 ILE H A 19 GLY H 1.0 1.8 3.11 71 69 A 20 CYS H A 18 ILE H 1.0 1.8 3.58 72 70 A 20 CYS HA A 21 SER H 1.0 1.8 2.49 73 71 A 20 CYS HA A 28 TYR H 1.0 1.8 4.22 74 72 A 20 CYS H A 20 CYS HBx 1.0 1.8 3.58 75 73 A 21 SER H A 20 CYS HBx 1.0 1.8 3.83 76 74 A 20 CYS H A 20 CYS HBy 1.0 1.8 3.58 77 75 A 21 SER H A 20 CYS HBy 1.0 1.8 3.83 78 76 A 20 CYS H A 19 GLY H 1.0 1.8 3.33 79 77 A 21 SER H A 28 TYR H 1.0 1.8 2.93 80 78 A 22 CYS H A 21 SER HBx 1.0 1.8 4.34 81 78 A 21 SER HBy A 22 CYS H 1.0 1.8 4.34 82 79 A 23 LYS H A 21 SER HBx 1.0 1.8 5.58 83 79 A 21 SER HBy A 23 LYS H 1.0 1.8 5.58 84 80 A 23 LYS H A 22 CYS HA 1.0 1.8 2.52 85 81 A 22 CYS HA A 26 VAL H 1.0 1.8 4.32 86 82 A 22 CYS H A 22 CYS HBx 1.0 1.8 3.78 87 82 A 22 CYS H A 22 CYS HBy 1.0 1.8 3.78 88 83 A 23 LYS H A 22 CYS HBx 1.0 1.8 4.64 89 83 A 23 LYS H A 22 CYS HBy 1.0 1.8 4.64 90 84 A 23 LYS HA A 24 SER H 1.0 1.8 2.77 91 85 A 23 LYS H A 23 LYS HBx 1.0 1.8 4.05 92 85 A 23 LYS H A 23 LYS HBy 1.0 1.8 4.05 93 86 A 24 SER H A 23 LYS HBx 1.0 1.8 5.33 94 86 A 24 SER H A 23 LYS HBy 1.0 1.8 5.33 95 87 A 8 CYS H A 25 LYS HA 1.0 1.8 3.30 96 88 A 25 LYS HA A 25 LYS H 1.0 1.8 2.65 97 89 A 26 VAL H A 25 LYS HA 1.0 1.8 3.39 98 90 A 25 LYS H A 25 LYS HBx 1.0 1.8 4.11 99 91 A 26 VAL H A 25 LYS HBx 1.0 1.8 4.38 100 92 A 25 LYS H A 25 LYS HBy 1.0 1.8 4.11 101 93 A 26 VAL H A 25 LYS HBy 1.0 1.8 4.38 102 94 A 24 SER H A 25 LYS H 1.0 1.8 3.92 103 95 A 8 CYS H A 26 VAL HA 1.0 1.8 3.17 104 96 A 26 VAL HA A 27 CYS H 1.0 1.8 2.56 105 97 A 23 LYS H A 26 VAL HB 1.0 1.8 4.07 106 98 A 26 VAL H A 26 VAL HB 1.0 1.8 2.83 107 99 A 27 CYS H A 26 VAL HB 1.0 1.8 4.11 108 100 A 23 LYS H A 26 VAL H 1.0 1.8 3.24 109 101 A 26 VAL H A 25 LYS H 1.0 1.8 3.33 110 102 A 21 SER H A 27 CYS HA 1.0 1.8 4.07 111 103 A 28 TYR H A 27 CYS HA 1.0 1.8 2.40 112 104 A 27 CYS H A 23 LYS H 1.0 1.8 4.17 113 105 A 3 PRO HA A 28 TYR HA 1.0 1.8 3.05 114 106 A 4 CYS H A 28 TYR HA 1.0 1.8 2.93 115 107 A 28 TYR HA A 28 TYR HBx 1.0 1.8 3.02 116 108 A 28 TYR HA A 28 TYR HBy 1.0 1.8 3.02 117 109 A 29 ARG H A 28 TYR HA 1.0 1.8 2.46 118 110 A 28 TYR H A 28 TYR HBx 1.0 1.8 3.61 119 111 A 28 TYR H A 28 TYR HBy 1.0 1.8 3.61 120 112 A 29 ARG H A 28 TYR HBx 1.0 1.8 3.58 121 113 A 29 ARG H A 28 TYR HBy 1.0 1.8 3.70 122 114 A 29 ARG H A 29 ARG HBx 1.0 1.8 3.42 123 115 A 29 ARG H A 29 ARG HBy 1.0 1.8 3.42 124 116 A 30 ASN H A 30 ASN HA 1.0 1.8 2.90 125 117 A 2 ILE HB A 29 ARG H 1.0 1.8 4.35 126 118 A 2 ILE H A 2 ILE HG1x 1.0 1.8 3.45 127 119 A 2 ILE H A 2 ILE HG1y 1.0 1.8 3.45 128 120 A 6 GLU HA A 6 GLU HGx 1.0 1.8 3.67 129 121 A 6 GLU HA A 6 GLU HGy 1.0 1.8 3.67 130 122 A 6 GLU H A 6 GLU HGx 1.0 1.8 5.50 131 123 A 7 SER H A 6 GLU HGx 1.0 1.8 4.77 132 124 A 6 GLU H A 6 GLU HGy 1.0 1.8 5.50 133 125 A 7 SER H A 6 GLU HGy 1.0 1.8 4.48 134 126 A 13 CYS H A 8 CYS HBx 1.0 1.8 5.31 135 127 A 13 CYS H A 8 CYS HBy 1.0 1.8 5.31 136 128 A 10 TRP HA A 10 TRP HE3 1.0 1.8 3.99 137 129 A 10 TRP H A 10 TRP HD1 1.0 1.8 5.13 138 130 A 10 TRP H A 10 TRP HE3 1.0 1.8 5.25 139 131 A 16 SER HBy A 18 ILE HG1x 1.0 1.8 7.26 140 131 A 16 SER HBx A 18 ILE HG1x 1.0 1.8 7.26 141 131 A 18 ILE HG1y A 16 SER HBx 1.0 1.8 7.26 142 131 A 16 SER HBy A 18 ILE HG1y 1.0 1.8 7.26 143 132 A 18 ILE H A 18 ILE HG1x 1.0 1.8 4.74 144 132 A 18 ILE H A 18 ILE HG1y 1.0 1.8 4.74 145 133 A 19 GLY H A 18 ILE HG1x 1.0 1.8 6.38 146 133 A 19 GLY H A 18 ILE HG1y 1.0 1.8 6.38 147 134 A 20 CYS HA A 29 ARG HBx 1.0 1.8 4.32 148 135 A 20 CYS HA A 29 ARG HBy 1.0 1.8 4.32 149 136 A 28 TYR HDx A 23 LYS HDx 1.0 1.8 5.50 150 137 A 28 TYR HDx A 23 LYS HDy 1.0 1.8 5.50 151 138 A 23 LYS H A 23 LYS HGx 1.0 1.8 6.38 152 138 A 23 LYS H A 23 LYS HGy 1.0 1.8 6.38 153 139 A 24 SER H A 23 LYS HGx 1.0 1.8 6.38 154 139 A 24 SER H A 23 LYS HGy 1.0 1.8 6.38 155 140 A 28 TYR HDx A 23 LYS HGx 1.0 1.8 6.38 156 140 A 28 TYR HDx A 23 LYS HGy 1.0 1.8 6.38 157 141 A 9 VAL HA A 25 LYS HGx 1.0 1.8 5.11 158 141 A 9 VAL HA A 25 LYS HGy 1.0 1.8 5.11 159 142 A 25 LYS H A 25 LYS HGx 1.0 1.8 5.21 160 142 A 25 LYS H A 25 LYS HGy 1.0 1.8 5.21 161 143 A 26 VAL H A 25 LYS HGx 1.0 1.8 6.38 162 143 A 26 VAL H A 25 LYS HGy 1.0 1.8 6.38 163 144 A 21 SER H A 28 TYR HBx 1.0 1.8 5.25 164 145 A 21 SER H A 28 TYR HBy 1.0 1.8 5.25 165 146 A 26 VAL H A 28 TYR HDy 1.0 1.8 5.50 166 147 A 2 ILE H A 28 TYR HDx 1.0 1.8 5.00 167 148 A 4 CYS H A 28 TYR HDx 1.0 1.8 5.50 168 149 A 29 ARG H A 28 TYR HDx 1.0 1.8 4.72 169 150 A 29 ARG HE A 29 ARG HBx 1.0 1.8 4.69 170 151 A 29 ARG HE A 29 ARG HBy 1.0 1.8 4.69 171 152 A 29 ARG H A 29 ARG HGx 1.0 1.8 4.85 172 153 A 30 ASN H A 29 ARG HGx 1.0 1.8 5.50 173 154 A 29 ARG H A 29 ARG HGy 1.0 1.8 4.85 174 155 A 30 ASN H A 29 ARG HGy 1.0 1.8 5.50 175 156 A 2 ILE H A 2 ILE HD1% 1.0 1.8 5.87 176 157 A 2 ILE H A 2 ILE HG2% 1.0 1.8 5.34 177 158 A 9 VAL H A 9 VAL HGx% 1.0 1.8 5.46 178 159 A 10 TRP HD1 A 9 VAL HGx% 1.0 1.8 6.46 179 160 A 10 TRP H A 9 VAL HGx% 1.0 1.8 6.05 180 161 A 9 VAL H A 9 VAL HGy% 1.0 1.8 5.46 181 162 A 10 TRP HD1 A 9 VAL HGy% 1.0 1.8 6.46 182 163 A 10 TRP H A 9 VAL HGy% 1.0 1.8 6.05 183 164 A 11 ILE H A 11 ILE HD1% 1.0 1.8 6.33 184 165 A 10 TRP HD1 A 11 ILE HG2% 1.0 1.8 6.52 185 166 A 11 ILE H A 11 ILE HG2% 1.0 1.8 4.53 186 167 A 16 SER H A 17 ALA HB% 1.0 1.8 6.52 187 168 A 17 ALA H A 17 ALA HB% 1.0 1.8 3.85 188 169 A 18 ILE HD1% A 16 SER HBx 1.0 1.8 6.94 189 169 A 16 SER HBy A 18 ILE HD1% 1.0 1.8 6.94 190 170 A 18 ILE H A 18 ILE HD1% 1.0 1.8 4.23 191 171 A 19 GLY H A 18 ILE HD1% 1.0 1.8 4.82 192 172 A 18 ILE H A 18 ILE HG2% 1.0 1.8 4.72 193 173 A 2 ILE H A 1 GLY HAy 1.0 1.8 3.11 194 173 A 2 ILE H A 1 GLY HAx 1.0 1.8 3.11 195 174 A 1 GLY HAy A 28 TYR HBx 1.0 1.8 4.17 196 174 A 28 TYR HBy A 1 GLY HAy 1.0 1.8 4.17 197 174 A 1 GLY HAx A 28 TYR HBy 1.0 1.8 4.17 198 174 A 1 GLY HAx A 28 TYR HBx 1.0 1.8 4.17 199 175 A 28 TYR HDx A 1 GLY HAy 1.0 1.8 4.38 200 175 A 28 TYR HDx A 1 GLY HAx 1.0 1.8 4.38 201 176 A 2 ILE H A 28 TYR HBx 1.0 1.8 4.03 202 176 A 2 ILE H A 28 TYR HBy 1.0 1.8 4.03 203 177 A 2 ILE HA A 3 PRO HDy 1.0 1.8 2.65 204 177 A 2 ILE HA A 3 PRO HDx 1.0 1.8 2.65 205 178 A 2 ILE HG2% A 3 PRO HDy 1.0 1.8 3.83 206 178 A 2 ILE HG2% A 3 PRO HDx 1.0 1.8 3.83 207 179 A 4 CYS H A 3 PRO HBy 1.0 1.8 3.47 208 179 A 4 CYS H A 3 PRO HBx 1.0 1.8 3.47 209 180 A 5 GLY H A 3 PRO HBy 1.0 1.8 3.65 210 180 A 5 GLY H A 3 PRO HBx 1.0 1.8 3.65 211 181 A 4 CYS H A 3 PRO HGy 1.0 1.8 4.62 212 181 A 4 CYS H A 3 PRO HGx 1.0 1.8 4.62 213 182 A 5 GLY H A 3 PRO HGy 1.0 1.8 4.47 214 182 A 5 GLY H A 3 PRO HGx 1.0 1.8 4.47 215 183 A 4 CYS H A 4 CYS HBx 1.0 1.8 2.65 216 183 A 4 CYS H A 4 CYS HBy 1.0 1.8 2.65 217 184 A 4 CYS H A 26 VAL HGy% 1.0 1.8 6.42 218 184 A 4 CYS H A 26 VAL HGx% 1.0 1.8 6.42 219 185 A 4 CYS H A 27 CYS HBx 1.0 1.8 5.23 220 185 A 4 CYS H A 27 CYS HBy 1.0 1.8 5.23 221 186 A 4 CYS HA A 4 CYS HBx 1.0 1.8 2.47 222 186 A 4 CYS HA A 4 CYS HBy 1.0 1.8 2.47 223 187 A 5 GLY H A 4 CYS HBx 1.0 1.8 3.36 224 187 A 5 GLY H A 4 CYS HBy 1.0 1.8 3.36 225 188 A 5 GLY H A 5 GLY HAy 1.0 1.8 2.51 226 188 A 5 GLY H A 5 GLY HAx 1.0 1.8 2.51 227 189 A 6 GLU H A 5 GLY HAy 1.0 1.8 2.99 228 189 A 6 GLU H A 5 GLY HAx 1.0 1.8 2.99 229 190 A 6 GLU H A 6 GLU HBx 1.0 1.8 2.99 230 190 A 6 GLU H A 6 GLU HBy 1.0 1.8 2.99 231 191 A 6 GLU H A 6 GLU HGx 1.0 1.8 4.80 232 191 A 6 GLU H A 6 GLU HGy 1.0 1.8 4.80 233 192 A 6 GLU H A 26 VAL HGy% 1.0 1.8 6.42 234 192 A 6 GLU H A 26 VAL HGx% 1.0 1.8 6.42 235 193 A 6 GLU H A 27 CYS HBx 1.0 1.8 3.50 236 193 A 6 GLU H A 27 CYS HBy 1.0 1.8 3.50 237 194 A 6 GLU HA A 6 GLU HBx 1.0 1.8 2.54 238 194 A 6 GLU HA A 6 GLU HBy 1.0 1.8 2.54 239 195 A 7 SER H A 6 GLU HBx 1.0 1.8 3.14 240 195 A 7 SER H A 6 GLU HBy 1.0 1.8 3.14 241 196 A 6 GLU HBy A 27 CYS HBx 1.0 1.8 3.69 242 196 A 6 GLU HBx A 27 CYS HBx 1.0 1.8 3.69 243 196 A 27 CYS HBy A 6 GLU HBx 1.0 1.8 3.69 244 196 A 27 CYS HBy A 6 GLU HBy 1.0 1.8 3.69 245 197 A 7 SER H A 6 GLU HGx 1.0 1.8 3.85 246 197 A 7 SER H A 6 GLU HGy 1.0 1.8 3.85 247 198 A 7 SER H A 7 SER HBx 1.0 1.8 2.77 248 198 A 7 SER H A 7 SER HBy 1.0 1.8 2.77 249 199 A 9 VAL H A 7 SER HBx 1.0 1.8 4.26 250 199 A 9 VAL H A 7 SER HBy 1.0 1.8 4.26 251 200 A 8 CYS H A 8 CYS HBx 1.0 1.8 3.55 252 200 A 8 CYS H A 8 CYS HBy 1.0 1.8 3.55 253 201 A 8 CYS H A 9 VAL HGy% 1.0 1.8 5.17 254 201 A 8 CYS H A 9 VAL HGx% 1.0 1.8 5.17 255 202 A 8 CYS H A 25 LYS HBx 1.0 1.8 5.17 256 202 A 8 CYS H A 25 LYS HBy 1.0 1.8 5.17 257 203 A 9 VAL H A 8 CYS HBx 1.0 1.8 4.21 258 203 A 9 VAL H A 8 CYS HBy 1.0 1.8 4.21 259 204 A 12 PRO HA A 8 CYS HBx 1.0 1.8 3.32 260 204 A 12 PRO HA A 8 CYS HBy 1.0 1.8 3.32 261 205 A 13 CYS H A 8 CYS HBx 1.0 1.8 4.51 262 205 A 13 CYS H A 8 CYS HBy 1.0 1.8 4.51 263 206 A 9 VAL H A 9 VAL HGy% 1.0 1.8 4.07 264 206 A 9 VAL H A 9 VAL HGx% 1.0 1.8 4.07 265 207 A 9 VAL HA A 25 LYS HBx 1.0 1.8 3.67 266 207 A 9 VAL HA A 25 LYS HBy 1.0 1.8 3.67 267 208 A 10 TRP H A 9 VAL HGy% 1.0 1.8 4.95 268 208 A 10 TRP H A 9 VAL HGx% 1.0 1.8 4.95 269 209 A 10 TRP HD1 A 9 VAL HGy% 1.0 1.8 5.19 270 209 A 10 TRP HD1 A 9 VAL HGx% 1.0 1.8 5.19 271 210 A 10 TRP HE1 A 9 VAL HGy% 1.0 1.8 6.42 272 210 A 9 VAL HGx% A 10 TRP HE1 1.0 1.8 6.42 273 211 A 10 TRP HA A 10 TRP HBx 1.0 1.8 2.63 274 211 A 10 TRP HA A 10 TRP HBy 1.0 1.8 2.63 275 212 A 10 TRP HE3 A 10 TRP HBx 1.0 1.8 3.62 276 212 A 10 TRP HE3 A 10 TRP HBy 1.0 1.8 3.62 277 213 A 11 ILE H A 10 TRP HBx 1.0 1.8 3.15 278 213 A 11 ILE H A 10 TRP HBy 1.0 1.8 3.15 279 214 A 11 ILE HG2% A 10 TRP HBx 1.0 1.8 6.29 280 214 A 11 ILE HG2% A 10 TRP HBy 1.0 1.8 6.29 281 215 A 11 ILE HA A 12 PRO HDx 1.0 1.8 3.59 282 215 A 11 ILE HA A 12 PRO HDy 1.0 1.8 3.59 283 216 A 11 ILE HG2% A 12 PRO HDx 1.0 1.8 4.79 284 216 A 11 ILE HG2% A 12 PRO HDy 1.0 1.8 4.79 285 217 A 13 CYS H A 13 CYS HBx 1.0 1.8 2.74 286 217 A 13 CYS H A 13 CYS HBy 1.0 1.8 2.74 287 218 A 13 CYS H A 27 CYS HBx 1.0 1.8 4.44 288 218 A 13 CYS H A 27 CYS HBy 1.0 1.8 4.44 289 219 A 19 GLY H A 19 GLY HAy 1.0 1.8 2.58 290 219 A 19 GLY H A 19 GLY HAx 1.0 1.8 2.58 291 220 A 20 CYS H A 20 CYS HBx 1.0 1.8 2.78 292 220 A 20 CYS H A 20 CYS HBy 1.0 1.8 2.78 293 221 A 20 CYS H A 29 ARG HGy 1.0 1.8 4.73 294 221 A 20 CYS H A 29 ARG HGx 1.0 1.8 4.73 295 222 A 20 CYS HA A 20 CYS HBx 1.0 1.8 2.63 296 222 A 20 CYS HA A 20 CYS HBy 1.0 1.8 2.63 297 223 A 20 CYS HA A 29 ARG HBx 1.0 1.8 3.46 298 223 A 20 CYS HA A 29 ARG HBy 1.0 1.8 3.46 299 224 A 21 SER H A 20 CYS HBx 1.0 1.8 3.01 300 224 A 21 SER H A 20 CYS HBy 1.0 1.8 3.01 301 225 A 28 TYR H A 20 CYS HBx 1.0 1.8 4.53 302 225 A 28 TYR H A 20 CYS HBy 1.0 1.8 4.53 303 226 A 21 SER H A 28 TYR HBx 1.0 1.8 4.61 304 226 A 21 SER H A 28 TYR HBy 1.0 1.8 4.61 305 227 A 21 SER H A 29 ARG HBx 1.0 1.8 5.34 306 227 A 21 SER H A 29 ARG HBy 1.0 1.8 5.34 307 228 A 23 LYS H A 23 LYS HDy 1.0 1.8 4.76 308 228 A 23 LYS H A 23 LYS HDx 1.0 1.8 4.76 309 229 A 28 TYR HDx A 23 LYS HDy 1.0 1.8 4.72 310 229 A 28 TYR HDx A 23 LYS HDx 1.0 1.8 4.72 311 230 A 24 SER H A 24 SER HBy 1.0 1.8 3.20 312 230 A 24 SER H A 24 SER HBx 1.0 1.8 3.20 313 231 A 25 LYS H A 24 SER HBy 1.0 1.8 3.80 314 231 A 25 LYS H A 24 SER HBx 1.0 1.8 3.80 315 232 A 24 SER HBx A 25 LYS HGx 1.0 1.8 6.14 316 232 A 24 SER HBy A 25 LYS HGx 1.0 1.8 6.14 317 232 A 25 LYS HGy A 24 SER HBy 1.0 1.8 6.14 318 232 A 25 LYS HGy A 24 SER HBx 1.0 1.8 6.14 319 233 A 25 LYS H A 25 LYS HBx 1.0 1.8 3.58 320 233 A 25 LYS H A 25 LYS HBy 1.0 1.8 3.58 321 234 A 26 VAL H A 25 LYS HBx 1.0 1.8 3.78 322 234 A 26 VAL H A 25 LYS HBy 1.0 1.8 3.78 323 235 A 27 CYS H A 26 VAL HGy% 1.0 1.8 4.16 324 235 A 27 CYS H A 26 VAL HGx% 1.0 1.8 4.16 325 236 A 27 CYS H A 27 CYS HBx 1.0 1.8 2.59 326 236 A 27 CYS H A 27 CYS HBy 1.0 1.8 2.59 327 237 A 27 CYS HA A 27 CYS HBx 1.0 1.8 2.63 328 237 A 27 CYS HA A 27 CYS HBy 1.0 1.8 2.63 329 238 A 28 TYR H A 28 TYR HBx 1.0 1.8 2.59 330 238 A 28 TYR H A 28 TYR HBy 1.0 1.8 2.59 331 239 A 28 TYR HA A 28 TYR HBx 1.0 1.8 2.60 332 239 A 28 TYR HA A 28 TYR HBy 1.0 1.8 2.60 333 240 A 28 TYR HDx A 28 TYR HBx 1.0 1.8 2.67 334 240 A 28 TYR HDx A 28 TYR HBy 1.0 1.8 2.67 335 241 A 29 ARG H A 28 TYR HBx 1.0 1.8 2.85 336 241 A 29 ARG H A 28 TYR HBy 1.0 1.8 2.85 337 242 A 29 ARG H A 29 ARG HBx 1.0 1.8 2.83 338 242 A 29 ARG H A 29 ARG HBy 1.0 1.8 2.83 339 243 A 29 ARG H A 29 ARG HGy 1.0 1.8 4.11 340 243 A 29 ARG H A 29 ARG HGx 1.0 1.8 4.11 341 244 A 29 ARG HE A 29 ARG HBx 1.0 1.8 4.06 342 244 A 29 ARG HE A 29 ARG HBy 1.0 1.8 4.06 343 245 A 30 ASN H A 30 ASN HBy 1.0 1.8 3.55 344 245 A 30 ASN H A 30 ASN HBx 1.0 1.8 3.55 345 246 A 28 TYR HA A 28 TYR HDx 1.0 1.8 3.62 346 247 A 29 ARG H A 4 CYS HA 1.0 1.8 4.63 347 248 A 6 GLU H A 7 SER H 1.0 1.8 4.36 348 249 A 15 SER H A 15 SER HBx 1.0 1.8 3.67 349 250 A 15 SER H A 15 SER HBy 1.0 1.8 3.67 350 251 A 27 CYS HA A 27 CYS HBx 1.0 1.8 3.02 351 252 A 27 CYS HA A 27 CYS HBy 1.0 1.8 3.02 352 253 A 8 CYS H A 27 CYS H 1.0 1.8 3.42 353 254 A 29 ARG H A 28 TYR H 1.0 1.8 4.36 354 255 A 28 TYR HDx A 2 ILE HA 1.0 1.8 4.54 355 256 A 3 PRO HA A 28 TYR HDy 1.0 1.8 4.54 356 257 A 16 SER HBy A 13 CYS HBx 1.0 1.8 6.38 357 257 A 13 CYS HBx A 16 SER HBx 1.0 1.8 6.38 358 258 A 16 SER HBy A 13 CYS HBy 1.0 1.8 6.38 359 258 A 13 CYS HBy A 16 SER HBx 1.0 1.8 6.38 360 259 A 23 LYS H A 28 TYR HDy 1.0 1.8 5.04 361 260 A 15 SER HA A 18 ILE HD1% 1.0 1.8 4.57 362 261 A 18 ILE HD1% A 15 SER HBx 1.0 1.8 5.37 363 262 A 18 ILE HD1% A 15 SER HBy 1.0 1.8 5.37 364 263 A 29 ARG HE A 18 ILE HG2% 1.0 1.8 6.52 365 264 A 28 TYR HDy A 26 VAL HGx% 1.0 1.8 5.19 366 265 A 28 TYR HDy A 26 VAL HGy% 1.0 1.8 5.19 367 266 A 28 TYR HDx A 26 VAL HGx% 1.0 1.8 6.73 368 267 A 28 TYR HDx A 26 VAL HGy% 1.0 1.8 6.73 369 268 A 3 PRO HA A 26 VAL HGy% 1.0 1.8 6.42 370 268 A 3 PRO HA A 26 VAL HGx% 1.0 1.8 6.42 371 269 A 3 PRO HBy A 26 VAL HGy% 1.0 1.8 4.43 372 269 A 26 VAL HGx% A 3 PRO HBy 1.0 1.8 4.43 373 269 A 3 PRO HBx A 26 VAL HGx% 1.0 1.8 4.43 374 269 A 3 PRO HBx A 26 VAL HGy% 1.0 1.8 4.43 375 270 A 28 TYR HDy A 3 PRO HBy 1.0 1.8 4.50 376 270 A 28 TYR HDy A 3 PRO HBx 1.0 1.8 4.50 377 271 A 28 TYR HDx A 3 PRO HBy 1.0 1.8 4.50 378 271 A 28 TYR HDx A 3 PRO HBx 1.0 1.8 4.50 379 272 A 3 PRO HGy A 26 VAL HGy% 1.0 1.8 5.25 380 272 A 3 PRO HGx A 26 VAL HGy% 1.0 1.8 5.25 381 272 A 26 VAL HGx% A 3 PRO HGy 1.0 1.8 5.25 382 272 A 3 PRO HGx A 26 VAL HGx% 1.0 1.8 5.25 383 273 A 28 TYR HDy A 3 PRO HGy 1.0 1.8 4.40 384 273 A 28 TYR HDy A 3 PRO HGx 1.0 1.8 4.40 385 274 A 28 TYR HDx A 3 PRO HGy 1.0 1.8 4.40 386 274 A 28 TYR HDx A 3 PRO HGx 1.0 1.8 4.40 387 275 A 7 SER HBx A 9 VAL HGy% 1.0 1.8 4.60 388 275 A 7 SER HBy A 9 VAL HGy% 1.0 1.8 4.60 389 275 A 9 VAL HGx% A 7 SER HBx 1.0 1.8 4.60 390 275 A 7 SER HBy A 9 VAL HGx% 1.0 1.8 4.60 391 276 A 10 TRP HZ2 A 9 VAL HGy% 1.0 1.8 6.30 392 276 A 9 VAL HGx% A 10 TRP HZ2 1.0 1.8 6.30 393 277 A 9 VAL HGx% A 25 LYS HBx 1.0 1.8 4.00 394 277 A 9 VAL HGy% A 25 LYS HBx 1.0 1.8 4.00 395 277 A 25 LYS HBy A 9 VAL HGy% 1.0 1.8 4.00 396 277 A 9 VAL HGx% A 25 LYS HBy 1.0 1.8 4.00 397 278 A 9 VAL HGx% A 25 LYS HEx 1.0 1.8 7.26 398 278 A 9 VAL HGy% A 25 LYS HEx 1.0 1.8 7.26 399 278 A 25 LYS HEy A 9 VAL HGy% 1.0 1.8 7.26 400 278 A 9 VAL HGx% A 25 LYS HEy 1.0 1.8 7.26 401 279 A 15 SER H A 15 SER HBx 1.0 1.8 3.16 402 279 A 15 SER H A 15 SER HBy 1.0 1.8 3.16 403 280 A 18 ILE HD1% A 15 SER HBx 1.0 1.8 4.55 404 280 A 18 ILE HD1% A 15 SER HBy 1.0 1.8 4.55 405 281 A 15 SER HBx A 20 CYS HBx 1.0 1.8 4.94 406 281 A 15 SER HBy A 20 CYS HBx 1.0 1.8 4.94 407 281 A 20 CYS HBy A 15 SER HBx 1.0 1.8 4.94 408 281 A 20 CYS HBy A 15 SER HBy 1.0 1.8 4.94 409 282 A 16 SER HBx A 20 CYS HBx 1.0 1.8 6.16 410 282 A 16 SER HBy A 20 CYS HBx 1.0 1.8 6.16 411 282 A 20 CYS HBy A 16 SER HBx 1.0 1.8 6.16 412 282 A 16 SER HBy A 20 CYS HBy 1.0 1.8 6.16 413 283 A 19 GLY HAx A 29 ARG HGy 1.0 1.8 4.20 414 283 A 19 GLY HAy A 29 ARG HGy 1.0 1.8 4.20 415 283 A 29 ARG HGx A 19 GLY HAy 1.0 1.8 4.20 416 283 A 19 GLY HAx A 29 ARG HGx 1.0 1.8 4.20 417 284 A 19 GLY HAy A 29 ARG HDy 1.0 1.8 4.39 418 284 A 19 GLY HAx A 29 ARG HDy 1.0 1.8 4.39 419 284 A 29 ARG HDx A 19 GLY HAy 1.0 1.8 4.39 420 284 A 19 GLY HAx A 29 ARG HDx 1.0 1.8 4.39 421 285 A 20 CYS HBx A 27 CYS HBx 1.0 1.8 2.90 422 285 A 20 CYS HBy A 27 CYS HBx 1.0 1.8 2.90 423 285 A 27 CYS HBy A 20 CYS HBx 1.0 1.8 2.90 424 285 A 27 CYS HBy A 20 CYS HBy 1.0 1.8 2.90 425 286 A 26 VAL H A 26 VAL HGy% 1.0 1.8 4.35 426 286 A 26 VAL H A 26 VAL HGx% 1.0 1.8 4.35 427 287 A 28 TYR HDy A 26 VAL HGy% 1.0 1.8 4.99 428 287 A 28 TYR HDy A 26 VAL HGx% 1.0 1.8 4.99 429 288 A 28 TYR HDx A 26 VAL HGy% 1.0 1.8 4.99 430 288 A 28 TYR HDx A 26 VAL HGx% 1.0 1.8 4.99 stop_ save_