data_nef_c30453_6d37 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 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 6D37 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 1 ACE C 1 2 ALA N 1 9 ASP C 1 10 DAL N 1 10 DAL C 1 11 GLY N 1 14 SER C 1 15 DAL N 1 15 DAL C 1 16 NVA N 1 16 NVA C 1 17 PRO N 1 20 SER C 1 21 NH2 N 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 ACE start . . 2 A 2 ALA middle -H2 . 3 A 3 TYR middle . . 4 A 4 ALA middle . . 5 A 5 GLN middle . . 6 A 6 TRP middle . . 7 A 7 LEU middle . . 8 A 8 ALA middle . . 9 A 9 ASP middle -OXT . 10 A 10 DAL middle -H2,-OXT . 11 A 11 GLY middle -H2 false 12 A 12 PRO middle . false 13 A 13 ALA middle . . 14 A 14 SER middle -OXT . 15 A 15 DAL middle -H2,-OXT . 16 A 16 NVA middle -H2,-OXT . 17 A 17 PRO middle -H false 18 A 18 PRO middle . false 19 A 19 PRO middle . false 20 A 20 SER middle -OXT . 21 A 21 NH2 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 2 ALA H H 1 8.683 0.02 A 2 ALA HA H 1 4.194 0.01 A 2 ALA HB% H 1 1.480 0.01 A 3 TYR H H 1 9.111 0.02 A 3 TYR HA H 1 4.062 0.01 A 3 TYR HBx H 1 3.096 0.01 A 3 TYR HBy H 1 3.096 0.01 A 3 TYR HDx H 1 7.086 0.01 A 3 TYR HDy H 1 7.086 0.01 A 3 TYR HEx H 1 6.817 0.01 A 3 TYR HEy H 1 6.817 0.01 A 4 ALA H H 1 8.546 0.02 A 4 ALA HA H 1 4.124 0.01 A 4 ALA HB% H 1 1.539 0.01 A 5 GLN H H 1 8.101 0.02 A 5 GLN HA H 1 4.090 0.01 A 5 GLN HBx H 1 2.167 0.01 A 5 GLN HBy H 1 2.167 0.01 A 5 GLN HE2x H 1 7.112 0.01 A 5 GLN HE2y H 1 7.455 0.01 A 5 GLN HGx H 1 2.389 0.01 A 5 GLN HGy H 1 2.389 0.01 A 6 TRP H H 1 8.126 0.02 A 6 TRP HA H 1 4.228 0.01 A 6 TRP HBx H 1 3.163 0.01 A 6 TRP HBy H 1 3.544 0.01 A 6 TRP HD1 H 1 7.096 0.01 A 6 TRP HE1 H 1 9.593 0.01 A 6 TRP HE3 H 1 6.952 0.01 A 6 TRP HH2 H 1 7.217 0.01 A 6 TRP HZ2 H 1 7.197 0.01 A 6 TRP HZ3 H 1 7.095 0.01 A 7 LEU H H 1 8.582 0.02 A 7 LEU HA H 1 3.315 0.01 A 7 LEU HBy H 1 1.814 0.01 A 7 LEU HBx H 1 1.438 0.01 A 7 LEU HDx% H 1 0.980 0.01 A 7 LEU HDy% H 1 0.901 0.01 A 7 LEU HG H 1 1.603 0.01 A 8 ALA H H 1 8.189 0.02 A 8 ALA HA H 1 4.070 0.01 A 8 ALA HB% H 1 1.482 0.01 A 9 ASP H H 1 7.791 0.02 A 9 ASP HA H 1 4.629 0.01 A 9 ASP HBx H 1 2.986 0.01 A 9 ASP HBy H 1 3.081 0.01 A 10 DAL H H 1 7.413 0.02 A 10 DAL HA H 1 4.374 0.01 A 10 DAL HB% H 1 1.268 0.01 A 11 GLY H H 1 8.311 0.02 A 11 GLY HAx H 1 0.752 0.01 A 11 GLY HAy H 1 3.070 0.01 A 12 PRO HA H 1 4.617 0.01 A 12 PRO HBx H 1 2.040 0.01 A 12 PRO HBy H 1 2.541 0.01 A 12 PRO HDy H 1 3.748 0.01 A 12 PRO HDx H 1 3.452 0.01 A 12 PRO HGy H 1 2.196 0.01 A 12 PRO HGx H 1 2.189 0.01 A 13 ALA H H 1 7.350 0.02 A 13 ALA HA H 1 4.228 0.01 A 13 ALA HB% H 1 1.415 0.01 A 14 SER H H 1 8.092 0.02 A 14 SER HA H 1 4.165 0.01 A 14 SER HBy H 1 3.907 0.01 A 14 SER HBx H 1 3.569 0.01 A 15 DAL H H 1 7.334 0.01 A 15 DAL HA H 1 4.428 0.01 A 15 DAL HB% H 1 1.502 0.01 A 17 PRO HA H 1 4.587 0.01 A 17 PRO HBx H 1 1.748 0.01 A 17 PRO HBy H 1 2.131 0.01 A 17 PRO HDx H 1 3.692 0.01 A 17 PRO HDy H 1 3.846 0.01 A 17 PRO HGx H 1 1.992 0.01 A 17 PRO HGy H 1 1.992 0.01 A 18 PRO HA H 1 2.559 0.01 A 18 PRO HBy H 1 1.316 0.01 A 18 PRO HBx H 1 0.444 0.01 A 18 PRO HDx H 1 3.479 0.01 A 18 PRO HDy H 1 3.479 0.01 A 18 PRO HGx H 1 1.683 0.01 A 18 PRO HGy H 1 1.733 0.01 A 19 PRO HA H 1 4.352 0.01 A 19 PRO HBx H 1 2.249 0.01 A 19 PRO HBy H 1 2.249 0.01 A 19 PRO HDx H 1 2.915 0.01 A 19 PRO HDy H 1 3.171 0.01 A 19 PRO HGx H 1 1.839 0.01 A 19 PRO HGy H 1 1.839 0.01 A 20 SER HA H 1 4.287 0.01 A 20 SER HBx H 1 3.820 0.01 A 20 SER HBy H 1 3.820 0.01 A 21 NH2 HN1 H 1 8.381 0.02 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 11 GLY HAx A 11 GLY H 1.0 2.21 2.71 2 2 A 11 GLY H A 11 GLY HAy 1.0 2.64 3.48 3 3 A 11 GLY HAx A 6 TRP HZ2 1.0 3.33 4.38 4 4 A 11 GLY HAx A 6 TRP HH2 1.0 3.39 4.27 5 5 A 11 GLY H A 9 ASP H 1.0 2.99 4.81 6 6 A 11 GLY HAy A 12 PRO HDx 1.0 2.00 2.72 7 7 A 11 GLY HAy A 12 PRO HDy 1.0 2.13 2.59 8 8 A 11 GLY HAx A 12 PRO HDx 1.0 2.30 3.30 9 9 A 12 PRO HA A 12 PRO HBy 1.0 2.09 2.51 10 10 A 12 PRO HA A 12 PRO HBx 1.0 2.98 4.14 11 11 A 12 PRO HDy A 13 ALA H 1.0 2.66 3.26 12 12 A 12 PRO HA A 13 ALA H 1.0 3.01 4.21 13 13 A 12 PRO HBx A 13 ALA H 1.0 3.04 4.26 14 14 A 13 ALA H A 12 PRO HGy 1.0 3.15 4.25 15 15 A 12 PRO HDx A 13 ALA H 1.0 3.37 4.98 16 16 A 12 PRO HA A 14 SER H 1.0 3.39 5.03 17 17 A 6 TRP HZ2 A 12 PRO HDx 1.0 2.59 3.58 18 18 A 6 TRP HZ2 A 12 PRO HA 1.0 2.15 3.20 19 19 A 6 TRP HH2 A 12 PRO HDx 1.0 2.04 3.13 20 20 A 6 TRP HZ2 A 12 PRO HGx 1.0 2.83 4.03 21 21 A 6 TRP HH2 A 12 PRO HGx 1.0 2.30 3.57 22 22 A 6 TRP HZ2 A 12 PRO HBy 1.0 3.25 4.91 23 23 A 6 TRP HH2 A 12 PRO HDy 1.0 3.38 5.21 24 24 A 13 ALA H A 13 ALA HA 1.0 2.32 2.90 25 25 A 13 ALA H A 13 ALA HB% 1.0 2.56 3.10 26 26 A 13 ALA H A 14 SER H 1.0 2.39 2.81 27 27 A 13 ALA HA A 14 SER HBx 1.0 3.84 5.87 28 28 A 14 SER H A 13 ALA HB% 1.0 3.26 4.36 29 29 A 14 SER H A 13 ALA HA 1.0 3.22 4.66 30 30 A 14 SER H A 14 SER HBx 1.0 2.01 2.73 31 31 A 14 SER H A 14 SER HA 1.0 2.59 3.40 32 32 A 14 SER H A 14 SER HBy 1.0 2.69 4.10 33 33 A 17 PRO HBy A 18 PRO HDx 1.0 2.48 3.93 34 34 A 6 TRP HZ2 A 17 PRO HA 1.0 3.51 5.18 35 35 A 6 TRP HE1 A 17 PRO HA 1.0 3.25 4.99 36 36 A 18 PRO HA A 18 PRO HBx 1.0 2.09 2.51 37 37 A 18 PRO HA A 18 PRO HBy 1.0 2.57 3.34 38 38 A 18 PRO HBy A 3 TYR HEx 1.0 2.77 3.79 39 39 A 18 PRO HBx A 3 TYR HEx 1.0 3.17 5.22 40 40 A 6 TRP HZ2 A 18 PRO HDy 1.0 2.17 3.16 41 41 A 6 TRP HH2 A 18 PRO HDy 1.0 2.90 4.18 42 42 A 6 TRP HD1 A 18 PRO HA 1.0 2.98 4.35 43 43 A 6 TRP HE1 A 18 PRO HA 1.0 3.01 4.41 44 44 A 6 TRP HD1 A 18 PRO HDy 1.0 3.37 4.89 45 45 A 6 TRP HZ2 A 18 PRO HA 1.0 3.30 5.04 46 46 A 6 TRP HZ2 A 18 PRO HGy 1.0 3.36 5.31 47 47 A 6 TRP HH2 A 18 PRO HA 1.0 3.48 5.44 48 48 A 6 TRP HZ2 A 18 PRO HBx 1.0 3.09 4.53 49 49 A 18 PRO HA A 19 PRO HDy 1.0 1.96 2.55 50 50 A 18 PRO HA A 19 PRO HDx 1.0 2.20 2.88 51 51 A 19 PRO HA A 19 PRO HBy 1.0 2.15 2.82 52 52 A 19 PRO HDy A 19 PRO HGx 1.0 2.35 3.12 53 52 A 19 PRO HDy A 19 PRO HGy 1.0 2.35 3.12 54 53 A 19 PRO HDx A 19 PRO HGx 1.0 2.25 2.79 55 53 A 19 PRO HDx A 19 PRO HGy 1.0 2.25 2.79 56 54 A 19 PRO HA A 19 PRO HGx 1.0 2.97 4.12 57 54 A 19 PRO HA A 19 PRO HGy 1.0 2.97 4.12 58 55 A 19 PRO HA A 19 PRO HBx 1.0 2.27 3.42 59 56 A 19 PRO HA A 20 SER H 1.0 2.16 2.62 60 57 A 19 PRO HBy A 20 SER H 1.0 3.44 5.16 61 58 A 19 PRO HDy A 3 TYR HDx 1.0 3.94 4.97 62 59 A 19 PRO HDx A 3 TYR HDx 1.0 2.43 3.80 63 60 A 3 TYR HDx A 19 PRO HGx 1.0 3.30 5.14 64 60 A 19 PRO HGy A 3 TYR HDx 1.0 3.30 5.14 65 61 A 3 TYR H A 19 PRO HGx 1.0 3.52 5.35 66 61 A 19 PRO HGy A 3 TYR H 1.0 3.52 5.35 67 62 A 3 TYR HEx A 19 PRO HDx 1.0 3.68 6.03 68 63 A 6 TRP HD1 A 19 PRO HDx 1.0 3.08 4.53 69 64 A 20 SER H A 20 SER HA 1.0 2.91 4.00 70 65 A 20 SER H A 20 SER HBy 1.0 3.27 4.76 71 66 A 2 ALA HA A 2 ALA H 1.0 2.14 2.97 72 67 A 2 ALA H A 2 ALA HB% 1.0 2.40 4.06 73 68 A 3 TYR H A 2 ALA H 1.0 2.51 3.80 74 69 A 3 TYR H A 2 ALA HA 1.0 3.07 4.33 75 70 A 3 TYR H A 2 ALA HB% 1.0 2.62 3.44 76 71 A 2 ALA HA A 5 GLN HBy 1.0 2.89 4.31 77 71 A 2 ALA HA A 5 GLN HBx 1.0 2.89 4.31 78 72 A 2 ALA HA A 5 GLN HGy 1.0 3.56 5.45 79 72 A 2 ALA HA A 5 GLN HGx 1.0 3.56 5.45 80 73 A 19 PRO HGy A 3 TYR HA 1.0 2.27 3.23 81 73 A 3 TYR HA A 19 PRO HGx 1.0 2.27 3.23 82 74 A 19 PRO HDx A 3 TYR HA 1.0 2.50 3.50 83 75 A 3 TYR HEy A 3 TYR HDy 1.0 1.94 3.22 84 75 A 3 TYR HDx A 3 TYR HEy 1.0 1.94 3.22 85 75 A 3 TYR HEx A 3 TYR HDx 1.0 1.94 3.22 86 75 A 3 TYR HEx A 3 TYR HDy 1.0 1.94 3.22 87 76 A 3 TYR H A 3 TYR HBx 1.0 2.25 2.79 88 76 A 3 TYR H A 3 TYR HBy 1.0 2.25 2.79 89 77 A 3 TYR H A 3 TYR HBx 1.0 2.25 2.79 90 77 A 3 TYR H A 3 TYR HBy 1.0 2.25 2.79 91 78 A 3 TYR HDx A 3 TYR HBy 1.0 2.13 2.95 92 78 A 3 TYR HDy A 3 TYR HBx 1.0 2.13 2.95 93 78 A 3 TYR HDx A 3 TYR HBx 1.0 2.13 2.95 94 78 A 3 TYR HBy A 3 TYR HDy 1.0 2.13 2.95 95 79 A 3 TYR HDx A 3 TYR HA 1.0 2.75 4.03 96 79 A 3 TYR HA A 3 TYR HDy 1.0 2.75 4.03 97 80 A 3 TYR H A 3 TYR HA 1.0 2.76 3.72 98 81 A 4 ALA H A 3 TYR HBx 1.0 2.35 2.95 99 81 A 3 TYR HBy A 4 ALA H 1.0 2.35 2.95 100 82 A 3 TYR HA A 4 ALA H 1.0 3.17 4.55 101 83 A 3 TYR HEx A 6 TRP HZ3 1.0 2.79 4.33 102 83 A 6 TRP HZ3 A 3 TYR HEy 1.0 2.79 4.33 103 84 A 3 TYR HA A 6 TRP HBy 1.0 2.24 3.24 104 85 A 3 TYR HA A 6 TRP H 1.0 2.92 4.03 105 86 A 3 TYR HA A 6 TRP HE3 1.0 3.44 5.36 106 87 A 3 TYR HA A 7 LEU H 1.0 3.26 4.75 107 88 A 3 TYR H A 4 ALA H 1.0 2.38 3.13 108 89 A 4 ALA H A 4 ALA HB% 1.0 2.53 3.05 109 90 A 4 ALA H A 4 ALA HA 1.0 2.55 3.32 110 91 A 4 ALA HA A 5 GLN H 1.0 2.84 3.86 111 92 A 4 ALA HB% A 5 GLN H 1.0 3.08 4.01 112 93 A 7 LEU H A 4 ALA HA 1.0 2.89 3.97 113 94 A 4 ALA HA A 7 LEU HBy 1.0 2.90 4.19 114 95 A 4 ALA HA A 7 LEU HDx% 1.0 3.25 4.33 115 96 A 7 LEU H A 4 ALA HB% 1.0 3.93 5.74 116 97 A 2 ALA HA A 2 ALA H 1.0 2.34 3.61 117 98 A 3 TYR H A 2 ALA HA 1.0 3.93 5.49 118 99 A 4 ALA H A 5 GLN H 1.0 2.44 3.11 119 100 A 2 ALA HA A 4 ALA H 1.0 3.35 4.95 120 101 A 5 GLN H A 5 GLN HBx 1.0 2.21 3.04 121 101 A 5 GLN H A 5 GLN HBy 1.0 2.21 3.04 122 102 A 5 GLN H A 5 GLN HA 1.0 2.53 3.27 123 103 A 5 GLN H A 5 GLN HGx 1.0 3.50 5.31 124 103 A 5 GLN H A 5 GLN HGy 1.0 3.50 5.31 125 104 A 6 TRP H A 5 GLN H 1.0 2.21 3.15 126 105 A 6 TRP H A 5 GLN HBx 1.0 2.46 3.16 127 105 A 6 TRP H A 5 GLN HBy 1.0 2.46 3.16 128 106 A 6 TRP H A 5 GLN HA 1.0 2.91 3.79 129 107 A 5 GLN HA A 8 ALA H 1.0 2.65 3.51 130 108 A 6 TRP HA A 9 ASP HBx 1.0 3.15 4.11 131 109 A 6 TRP HD1 A 6 TRP HE1 1.0 2.09 2.92 132 110 A 6 TRP HBy A 6 TRP H 1.0 2.28 3.03 133 111 A 6 TRP HD1 A 6 TRP HBx 1.0 2.26 3.00 134 112 A 6 TRP H A 6 TRP HBx 1.0 2.29 2.86 135 113 A 6 TRP HA A 6 TRP HBx 1.0 2.16 2.85 136 114 A 6 TRP HZ2 A 6 TRP HE1 1.0 2.47 3.57 137 115 A 6 TRP HBy A 6 TRP HE3 1.0 2.40 3.42 138 116 A 6 TRP H A 6 TRP HA 1.0 2.52 3.26 139 117 A 6 TRP HD1 A 6 TRP HA 1.0 2.53 3.47 140 118 A 6 TRP HD1 A 6 TRP HBy 1.0 2.66 4.01 141 119 A 6 TRP HE3 A 6 TRP HBx 1.0 3.32 5.07 142 120 A 6 TRP H A 7 LEU H 1.0 2.34 2.94 143 121 A 6 TRP HBy A 7 LEU H 1.0 2.49 3.21 144 122 A 6 TRP HE3 A 7 LEU H 1.0 2.62 3.63 145 123 A 7 LEU H A 6 TRP HBx 1.0 3.12 4.43 146 124 A 7 LEU H A 6 TRP HA 1.0 3.10 4.10 147 125 A 9 ASP H A 6 TRP HA 1.0 3.02 4.41 148 126 A 11 GLY H A 7 LEU HA 1.0 2.51 3.25 149 127 A 11 GLY HAy A 7 LEU HA 1.0 2.95 4.31 150 128 A 11 GLY HAx A 7 LEU HA 1.0 2.71 3.45 151 129 A 7 LEU HDx% A 3 TYR HEy 1.0 3.02 4.51 152 130 A 3 TYR HEx A 7 LEU HDy% 1.0 3.41 5.07 153 130 A 3 TYR HEy A 7 LEU HDy% 1.0 3.41 5.07 154 131 A 6 TRP HE3 A 7 LEU HG 1.0 2.22 3.20 155 132 A 6 TRP HZ3 A 7 LEU HDy% 1.0 2.45 3.68 156 133 A 6 TRP HZ3 A 7 LEU HDx% 1.0 3.30 4.66 157 134 A 6 TRP HZ3 A 7 LEU HG 1.0 3.25 4.91 158 135 A 6 TRP HE3 A 7 LEU HDy% 1.0 3.37 4.81 159 136 A 6 TRP HE3 A 7 LEU HBy 1.0 3.29 5.01 160 137 A 6 TRP H A 7 LEU HBy 1.0 3.56 5.45 161 138 A 6 TRP HE3 A 7 LEU HA 1.0 3.61 5.79 162 139 A 6 TRP HE3 A 7 LEU HDx% 1.0 4.16 6.51 163 140 A 7 LEU H A 7 LEU HBy 1.0 2.37 2.99 164 141 A 7 LEU H A 7 LEU HG 1.0 2.45 3.13 165 142 A 7 LEU H A 7 LEU HA 1.0 2.54 3.29 166 143 A 7 LEU H A 7 LEU HBx 1.0 2.71 3.61 167 144 A 7 LEU HA A 7 LEU HBx 1.0 2.20 2.80 168 145 A 7 LEU HBy A 7 LEU HA 1.0 2.87 3.92 169 146 A 7 LEU HDx% A 7 LEU HA 1.0 3.41 4.64 170 147 A 7 LEU H A 7 LEU HDy% 1.0 3.97 5.81 171 148 A 7 LEU H A 7 LEU HDx% 1.0 4.08 6.07 172 149 A 7 LEU HBy A 8 ALA H 1.0 2.66 3.52 173 150 A 8 ALA H A 7 LEU HBx 1.0 2.80 3.78 174 151 A 8 ALA H A 7 LEU HA 1.0 3.00 4.24 175 152 A 8 ALA H A 7 LEU HG 1.0 3.45 5.18 176 153 A 5 GLN H A 8 ALA HB% 1.0 3.86 5.35 177 154 A 7 LEU H A 8 ALA H 1.0 2.34 2.94 178 155 A 8 ALA H A 8 ALA HA 1.0 2.48 3.18 179 156 A 8 ALA H A 8 ALA HB% 1.0 2.46 3.02 180 157 A 9 ASP H A 8 ALA HB% 1.0 3.21 4.25 181 158 A 9 ASP H A 8 ALA HA 1.0 3.10 4.43 182 159 A 9 ASP H A 8 ALA H 1.0 2.61 3.42 183 160 A 9 ASP H A 9 ASP HBx 1.0 2.47 3.17 184 161 A 9 ASP HBx A 9 ASP HA 1.0 2.29 3.08 185 162 A 9 ASP H A 9 ASP HA 1.0 2.64 3.48 186 163 A 9 ASP HA A 9 ASP HBy 1.0 2.37 3.23 187 164 A 9 ASP H A 9 ASP HBy 1.0 3.09 3.77 188 165 A 11 GLY H A 10 DAL HA 1.0 3.12 4.44 189 166 A 13 ALA HB% A 10 DAL HA 1.0 3.30 4.44 190 167 A 14 SER HBx A 10 DAL HA 1.0 2.70 4.00 191 168 A 2 ALA HA A 5 GLN H 1.0 3.06 4.08 192 169 A 3 TYR HA A 6 TRP HBx 1.0 2.51 3.24 193 170 A 4 ALA HA A 3 TYR HDy 1.0 2.68 3.76 194 171 A 4 ALA HB% A 3 TYR HDy 1.0 3.90 4.90 195 172 A 5 GLN HBy A 5 GLN HE2y 1.0 3.20 4.61 196 172 A 5 GLN HBx A 5 GLN HE2y 1.0 3.20 4.61 197 172 A 5 GLN HE2x A 5 GLN HBx 1.0 3.20 4.61 198 172 A 5 GLN HBy A 5 GLN HE2x 1.0 3.20 4.61 199 173 A 6 TRP H A 5 GLN HBy 1.0 2.37 3.22 200 174 A 3 TYR HDx A 6 TRP HBy 1.0 3.24 5.02 201 175 A 7 LEU HDx% A 3 TYR HDy 1.0 3.30 4.40 202 176 A 3 TYR HEy A 7 LEU HDy% 1.0 3.30 5.05 203 177 A 6 TRP HE3 A 7 LEU HDy% 1.0 2.94 4.25 204 178 A 6 TRP HH2 A 7 LEU HDy% 1.0 3.72 5.88 205 179 A 7 LEU H A 7 LEU HDy% 1.0 3.23 4.67 206 180 A 7 LEU HG A 3 TYR HDy 1.0 3.48 5.46 207 181 A 3 TYR HEy A 7 LEU HG 1.0 3.05 4.61 208 182 A 6 TRP HZ3 A 7 LEU HG 1.0 3.48 5.46 209 183 A 11 GLY H A 9 ASP HBx 1.0 3.11 4.37 210 184 A 14 SER H A 10 DAL HA 1.0 3.13 4.45 211 185 A 13 ALA H A 10 DAL HA 1.0 3.20 4.59 212 186 A 11 GLY HAy A 6 TRP HH2 1.0 3.48 5.46 213 187 A 11 GLY HAy A 6 TRP HZ2 1.0 3.22 4.63 214 188 A 11 GLY HAy A 13 ALA H 1.0 3.47 5.37 215 189 A 11 GLY HAx A 6 TRP HZ3 1.0 3.27 4.96 216 190 A 11 GLY HAx A 6 TRP HE1 1.0 3.15 4.51 217 191 A 11 GLY HAx A 6 TRP HE3 1.0 3.23 4.45 218 192 A 11 GLY HAx A 6 TRP HH2 1.0 3.72 5.88 219 193 A 6 TRP HH2 A 12 PRO HA 1.0 3.22 4.84 220 194 A 6 TRP HH2 A 12 PRO HBy 1.0 3.68 5.77 221 195 A 12 PRO HBy A 13 ALA H 1.0 3.48 5.46 222 196 A 12 PRO HDx A 6 TRP HZ3 1.0 3.89 5.64 223 197 A 12 PRO HDx A 6 TRP HE1 1.0 3.68 5.77 224 198 A 12 PRO HDx A 6 TRP HE3 1.0 4.25 6.25 225 199 A 11 GLY H A 12 PRO HDx 1.0 3.72 5.88 226 200 A 12 PRO HDx A 13 ALA H 1.0 3.31 4.84 227 201 A 12 PRO HDy A 6 TRP HZ3 1.0 4.25 6.25 228 202 A 11 GLY HAx A 12 PRO HDy 1.0 3.42 5.11 229 203 A 11 GLY H A 12 PRO HDy 1.0 4.25 6.25 230 204 A 12 PRO HDy A 12 PRO HBx 1.0 2.97 4.34 231 205 A 11 GLY H A 14 SER HBx 1.0 3.42 5.11 232 206 A 3 TYR HDx A 18 PRO HGy 1.0 3.68 5.77 233 206 A 3 TYR HDx A 18 PRO HGx 1.0 3.68 5.77 234 207 A 18 PRO HBx A 3 TYR HDx 1.0 3.72 5.88 235 208 A 6 TRP HH2 A 18 PRO HBx 1.0 3.46 5.44 236 209 A 18 PRO HBy A 3 TYR HDx 1.0 3.20 4.59 237 210 A 6 TRP HH2 A 18 PRO HDy 1.0 3.31 5.06 238 211 A 19 PRO HA A 19 PRO HBx 1.0 2.64 3.48 239 212 A 19 PRO HBx A 20 SER H 1.0 2.98 4.35 240 213 A 6 TRP HE1 A 19 PRO HDy 1.0 4.25 6.25 241 214 A 19 PRO HDx A 6 TRP HE3 1.0 3.29 4.55 242 215 A 19 PRO HDx A 6 TRP H 1.0 4.50 6.50 243 216 A 18 PRO HBx A 19 PRO HDx 1.0 3.34 4.99 244 217 A 18 PRO HBy A 19 PRO HDx 1.0 3.11 4.42 245 218 A 18 PRO HBx A 6 TRP HE3 1.0 3.30 4.40 246 219 A 6 TRP HH2 A 18 PRO HBx 1.0 3.30 4.40 247 220 A 11 GLY HAx A 6 TRP HE3 1.0 3.40 4.30 248 221 A 19 PRO HDx A 6 TRP HE3 1.0 3.40 4.70 249 222 A 11 GLY HAy A 6 TRP HZ2 1.0 3.40 4.60 250 223 A 18 PRO HBx A 6 TRP HE3 1.0 3.30 4.40 251 224 A 6 TRP HZ3 A 3 TYR HEy 1.0 2.70 3.50 252 225 A 6 TRP HH2 A 18 PRO HGy 1.0 3.15 4.74 253 226 A 14 SER OG A 11 GLY O 1.0 2.65 3.05 254 227 A 14 SER HBy A 9 ASP HBx 1.0 3.40 4.60 255 228 A 14 SER HBy A 9 ASP HBy 1.0 3.80 5.00 stop_ save_