data_nef_c25297_2mw3 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 2MW3 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 SER N 1 9 ASP CG 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 SER start . . 2 A 2 LEU middle . . 3 A 3 GLY middle . false 4 A 4 SER middle . . 5 A 5 SER middle . . 6 A 6 PRO middle . false 7 A 7 TYR middle . . 8 A 8 ASN middle . . 9 A 9 ASP middle . . 10 A 10 ILE middle . . 11 A 11 LEU middle . . 12 A 12 GLY middle . false 13 A 13 TYR middle . . 14 A 14 PRO middle . false 15 A 15 ALA middle . . 16 A 16 LEU middle . . 17 A 17 ILE middle . . 18 A 18 VAL middle . . 19 A 19 ILE middle . . 20 A 20 TYR middle . . 21 A 21 PRO end . false 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 SER HA H 1 4.138 0.001 A 1 SER HBx H 1 3.839 0.002 A 1 SER HBy H 1 4.262 0.002 A 1 SER CA C 13 56.2 . A 2 LEU H H 1 8.056 0.001 A 2 LEU HA H 1 3.737 0.002 A 2 LEU HBx H 1 1.75 . A 2 LEU HBy H 1 2.25 0.001 A 2 LEU HDx% H 1 1.056 0.031 A 2 LEU HDy% H 1 0.877 0.002 A 2 LEU HG H 1 1.733 0.002 A 2 LEU CA C 13 54.6 . A 3 GLY H H 1 8.323 0.003 A 3 GLY HAx H 1 3.357 0.006 A 3 GLY HAy H 1 4.709 0.007 A 3 GLY CA C 13 41.6 . A 4 SER H H 1 7.675 0.005 A 4 SER HA H 1 4.558 0.002 A 4 SER HBx H 1 3.694 0.006 A 4 SER HBy H 1 3.974 0.001 A 4 SER CA C 13 54.5 . A 5 SER H H 1 8.171 0.004 A 5 SER HA H 1 4.558 0.002 A 5 SER HBx H 1 3.967 0.004 A 5 SER HBy H 1 4.04 0.005 A 5 SER CA C 13 55.2 . A 6 PRO HA H 1 4.369 0.001 A 6 PRO HBx H 1 1.757 0.007 A 6 PRO HBy H 1 1.987 0 A 6 PRO HDx H 1 3.669 0.003 A 6 PRO HDy H 1 3.737 0.005 A 6 PRO HGx H 1 1.65 0.009 A 6 PRO HGy H 1 1.858 0.004 A 6 PRO CA C 13 60.6 . A 7 TYR H H 1 7.656 0.002 A 7 TYR HA H 1 4.533 0.004 A 7 TYR HBx H 1 2.666 0.003 A 7 TYR HBy H 1 2.955 0.003 A 7 TYR HDx H 1 6.928 0.002 A 7 TYR HDy H 1 6.928 0.002 A 7 TYR HEy H 1 6.928 0.002 A 7 TYR HEx H 1 6.634 0.004 A 7 TYR CA C 13 53.4 . A 8 ASN H H 1 8.524 0.006 A 8 ASN HA H 1 5.049 0.002 A 8 ASN HBx H 1 2.502 0.001 A 8 ASN HBy H 1 2.728 0.004 A 8 ASN HD2x H 1 6.309 0.001 A 8 ASN HD2y H 1 7.136 0.001 A 8 ASN CA C 13 50 . A 9 ASP H H 1 8.888 0.001 A 9 ASP HA H 1 4.844 . A 9 ASP HBx H 1 2.992 0.001 A 9 ASP HBy H 1 3.667 0.004 A 9 ASP CA C 13 48.5 . A 10 ILE H H 1 8.23 0.004 A 10 ILE HA H 1 4.051 0.002 A 10 ILE HB H 1 1.994 0.002 A 10 ILE HD1% H 1 0.98 0 A 10 ILE HG1x H 1 1.436 0.002 A 10 ILE HG1y H 1 1.587 0.002 A 10 ILE HG2% H 1 1.05 0 A 10 ILE CA C 13 60.3 . A 11 LEU H H 1 7.283 0.002 A 11 LEU HA H 1 4.522 0.001 A 11 LEU HBx H 1 1.801 0.002 A 11 LEU HBy H 1 1.935 0.003 A 11 LEU HDx% H 1 1.041 0.004 A 11 LEU HDy% H 1 0.94 0.002 A 11 LEU HG H 1 1.735 0.004 A 11 LEU CA C 13 51.8 . A 12 GLY H H 1 8.394 0.003 A 12 GLY HAx H 1 3.473 0.006 A 12 GLY HAy H 1 4.075 0.001 A 12 GLY CA C 13 42.3 . A 13 TYR H H 1 6.984 0.008 A 13 TYR HA H 1 4.833 . A 13 TYR HBx H 1 2.449 0.001 A 13 TYR HBy H 1 3.222 0.001 A 13 TYR HDx H 1 6.999 0.002 A 13 TYR HDy H 1 6.999 0.002 A 13 TYR HEx H 1 6.703 0.001 A 13 TYR HEy H 1 6.703 0.001 A 13 TYR CA C 13 52.9 . A 14 PRO HA H 1 4.312 0.001 A 14 PRO HBx H 1 1.868 0.003 A 14 PRO HBy H 1 2.646 0.001 A 14 PRO HDx H 1 3.577 0.001 A 14 PRO HDy H 1 3.779 0.001 A 14 PRO HGx H 1 1.969 0 A 14 PRO HGy H 1 1.969 0 A 14 PRO CA C 13 62 . A 15 ALA H H 1 8.566 0.001 A 15 ALA HA H 1 4.197 0.004 A 15 ALA HB% H 1 1.357 0.005 A 15 ALA CA C 13 49.8 . A 16 LEU H H 1 8.202 0.007 A 16 LEU HA H 1 4.559 0.005 A 16 LEU HBx H 1 1.596 0.008 A 16 LEU HBy H 1 1.826 0.008 A 16 LEU HDx% H 1 1.015 0.008 A 16 LEU HDy% H 1 0.926 0.007 A 16 LEU HG H 1 1.726 0.003 A 16 LEU CA C 13 52.4 . A 17 ILE H H 1 7.656 0.005 A 17 ILE HA H 1 4.236 0.013 A 17 ILE HB H 1 1.898 0 A 17 ILE HD1% H 1 0.91 . A 17 ILE HG1x H 1 1.171 0.005 A 17 ILE HG1y H 1 1.592 0.005 A 17 ILE HG2% H 1 0.915 0.006 A 17 ILE CA C 13 57.9 . A 18 VAL H H 1 8.329 0.006 A 18 VAL HA H 1 4.191 0.001 A 18 VAL HB H 1 2.012 0.002 A 18 VAL HGx% H 1 0.912 0.001 A 18 VAL HGy% H 1 0.809 0.002 A 18 VAL CA C 13 58.7 . A 19 ILE H H 1 8.058 . A 19 ILE HA H 1 4.25 . A 19 ILE HB H 1 1.447 . A 19 ILE HD1% H 1 0.829 . A 19 ILE HG1x H 1 1.109 . A 19 ILE HG1y H 1 1.445 0.002 A 19 ILE HG2% H 1 0.91 . A 19 ILE CA C 13 57.8 . A 20 TYR H H 1 8.154 0.023 A 20 TYR HA H 1 4.77 . A 20 TYR HBx H 1 2.82 0.003 A 20 TYR HBy H 1 3.053 0 A 20 TYR HDx H 1 7.086 0.002 A 20 TYR HDy H 1 7.086 0.002 A 20 TYR HEx H 1 6.672 0.002 A 20 TYR HEy H 1 6.672 0.002 A 20 TYR CA C 13 52.8 . A 21 PRO HA H 1 4.385 0.001 A 21 PRO HBx H 1 2.002 0.008 A 21 PRO HBy H 1 2.19 0.003 A 21 PRO HDx H 1 3.418 . A 21 PRO HDy H 1 3.745 . A 21 PRO HGx H 1 1.96 . A 21 PRO HGy H 1 1.96 . A 21 PRO CA C 13 59.1 . 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 1 SER HBy A 1 SER HBx 1.0 1.8 3.5 2 2 A 2 LEU HA A 2 LEU H 1.0 1.8 3.5 3 3 A 2 LEU HA A 2 LEU HDy% 1.0 1.8 3.5 4 4 A 2 LEU HDy% A 2 LEU HBy 1.0 1.8 3.5 5 5 A 3 GLY HAx A 4 SER H 1.0 1.8 3.5 6 6 A 4 SER H A 4 SER HBx 1.0 1.8 3.5 7 7 A 4 SER HBx A 5 SER H 1.0 1.8 3.5 8 8 A 6 PRO HBy A 6 PRO HA 1.0 1.8 3.5 9 9 A 6 PRO HGy A 6 PRO HDy 1.0 1.8 3.5 10 10 A 6 PRO HDy A 6 PRO HGx 1.0 1.8 3.5 11 11 A 7 TYR HBx A 7 TYR HA 1.0 1.8 3.5 12 12 A 7 TYR HE% A 7 TYR HD% 1.0 1.8 3.5 13 13 A 8 ASN HBx A 8 ASN H 1.0 1.8 3.5 14 14 A 8 ASN HD2y A 8 ASN HD2x 1.0 1.8 3.5 15 15 A 9 ASP HBx A 9 ASP HBy 1.0 1.8 3.5 16 16 A 10 ILE HB A 10 ILE HA 1.0 1.8 3.5 17 17 A 10 ILE HB A 10 ILE HG2% 1.0 1.8 3.5 18 18 A 11 LEU HBx A 11 LEU H 1.0 1.8 3.5 19 19 A 11 LEU H A 12 GLY H 1.0 1.8 3.5 20 20 A 12 GLY HAx A 12 GLY HAy 1.0 1.8 3.5 21 21 A 12 GLY H A 12 GLY HAx 1.0 1.8 3.5 22 22 A 13 TYR HBy A 14 PRO HDx 1.0 1.8 3.5 23 23 A 13 TYR HBx A 1 SER HA 1.0 1.8 3.5 24 24 A 13 TYR HBy A 13 TYR HBx 1.0 1.8 3.5 25 25 A 13 TYR HE% A 13 TYR HD% 1.0 1.8 3.5 26 26 A 14 PRO HA A 15 ALA H 1.0 1.8 3.5 27 27 A 14 PRO HBx A 14 PRO HBy 1.0 1.8 3.5 28 28 A 14 PRO HBy A 14 PRO HGx 1.0 1.8 3.5 29 28 A 14 PRO HBy A 14 PRO HGy 1.0 1.8 3.5 30 29 A 14 PRO HDx A 14 PRO HGx 1.0 1.8 3.5 31 29 A 14 PRO HDx A 14 PRO HGy 1.0 1.8 3.5 32 30 A 15 ALA HA A 16 LEU H 1.0 1.8 3.5 33 31 A 8 ASN H A 15 ALA HB% 1.0 1.8 3.5 34 32 A 15 ALA HA A 15 ALA HB% 1.0 1.8 3.5 35 33 A 15 ALA H A 15 ALA HB% 1.0 1.8 3.5 36 34 A 3 GLY HAx A 16 LEU HBx 1.0 1.8 3.5 37 35 A 16 LEU HDx% A 16 LEU HBy 1.0 1.8 3.5 38 36 A 16 LEU HDy% A 3 GLY HAy 1.0 1.8 3.5 39 37 A 16 LEU HDy% A 16 LEU HA 1.0 1.8 3.5 40 38 A 17 ILE HB A 17 ILE H 1.0 1.8 3.5 41 39 A 17 ILE HG1x A 17 ILE HG1y 1.0 1.8 3.5 42 40 A 16 LEU H A 17 ILE H 1.0 1.8 3.5 43 41 A 2 LEU H A 1 SER HA 1.0 1.8 4.5 44 42 A 1 SER HA A 3 GLY H 1.0 1.8 4.5 45 43 A 1 SER HA A 13 TYR HD% 1.0 1.8 4.5 46 44 A 1 SER HBy A 2 LEU H 1.0 1.8 4.5 47 45 A 1 SER HBy A 13 TYR HD% 1.0 1.8 4.5 48 46 A 1 SER HBx A 1 SER HA 1.0 1.8 4.5 49 47 A 1 SER HBx A 2 LEU H 1.0 1.8 4.5 50 48 A 2 LEU HA A 1 SER HA 1.0 1.8 4.5 51 49 A 2 LEU HA A 3 GLY H 1.0 1.8 4.5 52 50 A 2 LEU HA A 2 LEU HBy 1.0 1.8 4.5 53 51 A 2 LEU H A 2 LEU HBy 1.0 1.8 4.5 54 52 A 1 SER HBy A 2 LEU HDx% 1.0 1.8 4.5 55 53 A 1 SER HBx A 2 LEU HDx% 1.0 1.8 4.5 56 54 A 2 LEU H A 2 LEU HDx% 1.0 1.8 4.5 57 55 A 1 SER HBx A 2 LEU HDy% 1.0 1.8 4.5 58 56 A 2 LEU H A 2 LEU HDy% 1.0 1.8 4.5 59 57 A 2 LEU H A 2 LEU HG 1.0 1.8 4.5 60 58 A 3 GLY H A 2 LEU HG 1.0 1.8 4.5 61 59 A 2 LEU H A 3 GLY H 1.0 1.8 4.5 62 60 A 3 GLY HAx A 3 GLY HAy 1.0 1.8 4.5 63 61 A 3 GLY HAx A 3 GLY H 1.0 1.8 4.5 64 62 A 3 GLY HAx A 4 SER HA 1.0 1.8 4.5 65 63 A 3 GLY HAx A 16 LEU H 1.0 1.8 4.5 66 64 A 4 SER HA A 4 SER HBy 1.0 1.8 4.5 67 65 A 4 SER H A 4 SER HBy 1.0 1.8 4.5 68 66 A 4 SER HBx A 4 SER HA 1.0 1.8 4.5 69 67 A 4 SER H A 3 GLY H 1.0 1.8 4.5 70 68 A 4 SER H A 5 SER H 1.0 1.8 4.5 71 69 A 5 SER HBy A 5 SER HA 1.0 1.8 4.5 72 70 A 15 ALA H A 5 SER HBy 1.0 1.8 4.5 73 71 A 16 LEU H A 5 SER HBy 1.0 1.8 4.5 74 72 A 5 SER HA A 5 SER HBx 1.0 1.8 4.5 75 73 A 5 SER H A 5 SER HBx 1.0 1.8 4.5 76 74 A 16 LEU H A 5 SER HBx 1.0 1.8 4.5 77 75 A 6 PRO HBy A 6 PRO HDx 1.0 1.8 4.5 78 76 A 6 PRO HA A 6 PRO HBx 1.0 1.8 4.5 79 77 A 6 PRO HDx A 6 PRO HBx 1.0 1.8 4.5 80 78 A 7 TYR HE% A 6 PRO HBx 1.0 1.8 4.5 81 79 A 6 PRO HDy A 5 SER HA 1.0 1.8 4.5 82 80 A 6 PRO HA A 6 PRO HDy 1.0 1.8 4.5 83 81 A 5 SER HA A 6 PRO HDx 1.0 1.8 4.5 84 82 A 6 PRO HA A 6 PRO HDx 1.0 1.8 4.5 85 83 A 6 PRO HA A 6 PRO HGy 1.0 1.8 4.5 86 84 A 6 PRO HGy A 6 PRO HDx 1.0 1.8 4.5 87 85 A 6 PRO HGy A 7 TYR HE% 1.0 1.8 4.5 88 86 A 6 PRO HA A 6 PRO HGx 1.0 1.8 4.5 89 87 A 6 PRO HGx A 6 PRO HDx 1.0 1.8 4.5 90 88 A 6 PRO HGx A 7 TYR HD% 1.0 1.8 4.5 91 89 A 6 PRO HGx A 7 TYR HE% 1.0 1.8 4.5 92 90 A 7 TYR HA A 8 ASN H 1.0 1.8 4.5 93 91 A 7 TYR HA A 7 TYR HBy 1.0 1.8 4.5 94 92 A 7 TYR HD% A 7 TYR HBy 1.0 1.8 4.5 95 93 A 7 TYR HBy A 7 TYR H 1.0 1.8 4.5 96 94 A 8 ASN H A 7 TYR HBy 1.0 1.8 4.5 97 95 A 7 TYR HBx A 7 TYR HD% 1.0 1.8 4.5 98 96 A 7 TYR HBx A 7 TYR H 1.0 1.8 4.5 99 97 A 7 TYR HBx A 8 ASN H 1.0 1.8 4.5 100 98 A 7 TYR HD% A 7 TYR H 1.0 1.8 4.5 101 99 A 8 ASN HA A 9 ASP H 1.0 1.8 4.5 102 100 A 8 ASN HA A 8 ASN HBy 1.0 1.8 4.5 103 101 A 8 ASN HD2x A 8 ASN HBy 1.0 1.8 4.5 104 102 A 8 ASN HD2y A 8 ASN HBy 1.0 1.8 4.5 105 103 A 8 ASN H A 8 ASN HBy 1.0 1.8 4.5 106 104 A 9 ASP H A 8 ASN HBy 1.0 1.8 4.5 107 105 A 12 GLY HAx A 8 ASN HBy 1.0 1.8 4.5 108 106 A 12 GLY H A 8 ASN HBy 1.0 1.8 4.5 109 107 A 8 ASN HBy A 13 TYR H 1.0 1.8 4.5 110 108 A 8 ASN HBx A 8 ASN HA 1.0 1.8 4.5 111 109 A 8 ASN HBx A 8 ASN HD2x 1.0 1.8 4.5 112 110 A 8 ASN HBx A 8 ASN HD2y 1.0 1.8 4.5 113 111 A 8 ASN HBx A 9 ASP H 1.0 1.8 4.5 114 112 A 8 ASN HBx A 12 GLY HAx 1.0 1.8 4.5 115 113 A 8 ASN HBx A 12 GLY H 1.0 1.8 4.5 116 114 A 9 ASP HBy A 10 ILE H 1.0 1.8 4.5 117 115 A 9 ASP HBy A 11 LEU H 1.0 1.8 4.5 118 116 A 9 ASP HBy A 15 ALA HA 1.0 1.8 4.5 119 117 A 9 ASP HBx A 9 ASP H 1.0 1.8 4.5 120 118 A 9 ASP HBx A 10 ILE H 1.0 1.8 4.5 121 119 A 9 ASP HBx A 15 ALA HA 1.0 1.8 4.5 122 120 A 10 ILE HA A 11 LEU H 1.0 1.8 4.5 123 121 A 10 ILE HB A 12 GLY HAx 1.0 1.8 7.0 124 122 A 10 ILE HA A 10 ILE HD1% 1.0 1.8 4.5 125 123 A 10 ILE HB A 10 ILE HD1% 1.0 1.8 4.5 126 124 A 10 ILE HA A 10 ILE HG1y 1.0 1.8 4.5 127 125 A 11 LEU H A 10 ILE HG1y 1.0 1.8 4.5 128 126 A 10 ILE HA A 10 ILE HG1x 1.0 1.8 4.5 129 127 A 10 ILE HA A 10 ILE HG2% 1.0 1.8 4.5 130 128 A 11 LEU H A 11 LEU HA 1.0 1.8 4.5 131 129 A 1 SER HBy A 11 LEU HBy 1.0 1.8 4.5 132 130 A 11 LEU HA A 11 LEU HBy 1.0 1.8 4.5 133 131 A 11 LEU H A 11 LEU HBy 1.0 1.8 4.5 134 132 A 13 TYR HD% A 11 LEU HBy 1.0 1.8 4.5 135 133 A 1 SER HBy A 11 LEU HBx 1.0 1.8 4.5 136 134 A 1 SER HBx A 11 LEU HBx 1.0 1.8 4.5 137 135 A 11 LEU HBx A 11 LEU HA 1.0 1.8 4.5 138 136 A 11 LEU HBx A 12 GLY H 1.0 1.8 4.5 139 137 A 11 LEU HBx A 13 TYR HD% 1.0 1.8 4.5 140 138 A 11 LEU HA A 11 LEU HDx% 1.0 1.8 4.5 141 139 A 11 LEU H A 11 LEU HDx% 1.0 1.8 4.5 142 140 A 11 LEU HA A 11 LEU HDy% 1.0 1.8 4.5 143 141 A 1 SER HBy A 11 LEU HG 1.0 1.8 4.5 144 142 A 1 SER HBx A 11 LEU HG 1.0 1.8 4.5 145 143 A 11 LEU HA A 11 LEU HG 1.0 1.8 4.5 146 144 A 11 LEU H A 11 LEU HG 1.0 1.8 4.5 147 145 A 11 LEU H A 10 ILE H 1.0 1.8 4.5 148 146 A 12 GLY H A 12 GLY HAy 1.0 1.8 4.5 149 147 A 12 GLY HAx A 13 TYR H 1.0 1.8 4.5 150 148 A 13 TYR HBy A 1 SER HA 1.0 1.8 4.5 151 149 A 2 LEU H A 13 TYR HBy 1.0 1.8 4.5 152 150 A 13 TYR HBy A 13 TYR HD% 1.0 1.8 4.5 153 151 A 13 TYR HBy A 13 TYR H 1.0 1.8 4.5 154 152 A 13 TYR HBy A 14 PRO HDy 1.0 1.8 4.5 155 153 A 1 SER HBy A 13 TYR HBx 1.0 1.8 4.5 156 154 A 1 SER HBx A 13 TYR HBx 1.0 1.8 4.5 157 155 A 2 LEU H A 13 TYR HBx 1.0 1.8 4.5 158 156 A 13 TYR HBx A 13 TYR HD% 1.0 1.8 4.5 159 157 A 13 TYR HBx A 13 TYR H 1.0 1.8 4.5 160 158 A 14 PRO HDx A 13 TYR HBx 1.0 1.8 4.5 161 159 A 9 ASP H A 13 TYR H 1.0 1.8 4.5 162 160 A 11 LEU H A 13 TYR H 1.0 1.8 4.5 163 161 A 12 GLY H A 13 TYR H 1.0 1.8 4.5 164 162 A 14 PRO HA A 8 ASN HA 1.0 1.8 4.5 165 163 A 14 PRO HBy A 3 GLY H 1.0 1.8 4.5 166 164 A 14 PRO HA A 14 PRO HBy 1.0 1.8 4.5 167 165 A 14 PRO HDx A 14 PRO HBy 1.0 1.8 4.5 168 166 A 15 ALA H A 14 PRO HBy 1.0 1.8 4.5 169 167 A 14 PRO HA A 14 PRO HBx 1.0 1.8 4.5 170 168 A 14 PRO HDx A 14 PRO HBx 1.0 1.8 4.5 171 169 A 14 PRO HBx A 4 SER HA 1.0 1.8 4.5 172 170 A 13 TYR HD% A 14 PRO HDy 1.0 1.8 4.5 173 171 A 14 PRO HDx A 13 TYR HD% 1.0 1.8 4.5 174 172 A 14 PRO HA A 14 PRO HGx 1.0 1.8 4.5 175 172 A 14 PRO HA A 14 PRO HGy 1.0 1.8 4.5 176 173 A 4 SER HA A 14 PRO HGx 1.0 0.8 6.0 177 173 A 14 PRO HGy A 4 SER HA 1.0 0.8 6.0 178 174 A 15 ALA HA A 3 GLY H 1.0 1.8 4.5 179 175 A 15 ALA H A 15 ALA HA 1.0 1.8 4.5 180 176 A 15 ALA HB% A 5 SER HBy 1.0 1.8 4.5 181 177 A 15 ALA HB% A 5 SER HBx 1.0 1.8 4.5 182 178 A 7 TYR HBx A 15 ALA HB% 1.0 1.8 4.5 183 179 A 7 TYR HD% A 15 ALA HB% 1.0 1.8 6.0 184 180 A 7 TYR HE% A 15 ALA HB% 1.0 1.8 6.0 185 181 A 9 ASP HBy A 15 ALA HB% 1.0 1.8 4.5 186 182 A 9 ASP HBx A 15 ALA HB% 1.0 1.8 4.5 187 183 A 15 ALA HB% A 9 ASP H 1.0 1.8 4.5 188 184 A 12 GLY H A 15 ALA HB% 1.0 1.8 6.0 189 185 A 14 PRO HA A 15 ALA HB% 1.0 1.8 4.5 190 186 A 16 LEU H A 15 ALA HB% 1.0 1.8 4.5 191 187 A 15 ALA HB% A 17 ILE H 1.0 1.8 4.5 192 188 A 15 ALA H A 9 ASP H 1.0 1.8 4.5 193 189 A 16 LEU H A 16 LEU HBy 1.0 1.8 4.5 194 190 A 15 ALA HA A 16 LEU HBx 1.0 1.8 6.0 195 191 A 16 LEU HBx A 16 LEU HA 1.0 1.8 4.5 196 192 A 16 LEU H A 16 LEU HBx 1.0 1.8 4.5 197 193 A 3 GLY HAx A 16 LEU HDx% 1.0 1.8 4.5 198 194 A 16 LEU HDx% A 16 LEU HA 1.0 1.8 4.5 199 195 A 16 LEU H A 16 LEU HG 1.0 1.8 4.5 200 196 A 15 ALA H A 16 LEU H 1.0 1.8 4.5 201 197 A 17 ILE HG1y A 5 SER HBx 1.0 1.8 4.5 202 198 A 17 ILE H A 17 ILE HG1y 1.0 1.8 4.5 203 199 A 17 ILE H A 17 ILE HG1x 1.0 1.8 4.5 204 200 A 5 SER HBy A 17 ILE HG2% 1.0 1.8 4.5 205 201 A 5 SER HBx A 17 ILE HG2% 1.0 1.8 4.5 206 202 A 17 ILE HG2% A 17 ILE HA 1.0 1.8 4.5 207 203 A 17 ILE H A 17 ILE HG2% 1.0 1.8 4.5 208 204 A 18 VAL HA A 19 ILE H 1.0 1.8 4.5 209 205 A 18 VAL HA A 18 VAL HB 1.0 1.8 4.5 210 206 A 19 ILE H A 18 VAL HB 1.0 1.8 4.5 211 207 A 18 VAL HB A 20 TYR HE% 1.0 1.8 4.5 212 208 A 18 VAL HA A 18 VAL HGx% 1.0 1.8 4.5 213 209 A 18 VAL HA A 18 VAL HGy% 1.0 1.8 4.5 214 210 A 19 ILE H A 19 ILE HG1y 1.0 1.8 4.5 215 211 A 20 TYR HBy A 20 TYR HD% 1.0 1.8 4.5 216 212 A 20 TYR HD% A 20 TYR HBx 1.0 1.8 4.5 217 213 A 20 TYR HE% A 20 TYR HD% 1.0 1.8 4.5 218 214 A 21 PRO HBy A 21 PRO HA 1.0 1.8 4.5 219 215 A 1 SER HBy A 11 LEU H 1.0 1.8 6.0 220 216 A 1 SER HBx A 11 LEU H 1.0 1.8 6.0 221 217 A 1 SER HBx A 13 TYR HD% 1.0 1.8 6.0 222 218 A 2 LEU HBy A 3 GLY H 1.0 1.8 6.0 223 219 A 1 SER HA A 2 LEU HDx% 1.0 1.8 6.0 224 220 A 2 LEU HDy% A 1 SER HA 1.0 1.8 6.0 225 221 A 3 GLY HAx A 5 SER H 1.0 1.8 6.0 226 222 A 5 SER H A 5 SER HBy 1.0 1.8 6.0 227 223 A 15 ALA H A 5 SER HBx 1.0 1.8 6.0 228 224 A 7 TYR HD% A 6 PRO HBx 1.0 1.8 6.0 229 225 A 6 PRO HGy A 7 TYR HD% 1.0 1.8 6.0 230 226 A 7 TYR HE% A 7 TYR HBy 1.0 1.8 6.0 231 227 A 7 TYR HBx A 7 TYR HE% 1.0 1.8 6.0 232 228 A 7 TYR HD% A 8 ASN H 1.0 1.8 6.0 233 229 A 8 ASN H A 7 TYR H 1.0 1.8 6.0 234 230 A 15 ALA H A 7 TYR H 1.0 1.8 6.0 235 231 A 8 ASN H A 8 ASN HA 1.0 1.8 6.0 236 232 A 15 ALA H A 8 ASN HA 1.0 1.8 6.0 237 233 A 8 ASN H A 8 ASN HD2x 1.0 1.8 6.0 238 234 A 8 ASN HD2x A 12 GLY H 1.0 1.8 6.0 239 235 A 8 ASN H A 8 ASN HD2y 1.0 1.8 6.0 240 236 A 8 ASN H A 9 ASP H 1.0 1.8 6.0 241 237 A 9 ASP HBx A 1 SER HA 1.0 1.8 6.0 242 238 A 9 ASP HBx A 11 LEU H 1.0 1.8 6.0 243 239 A 10 ILE HA A 10 ILE H 1.0 1.8 6.0 244 240 A 10 ILE HB A 11 LEU H 1.0 1.8 6.0 245 241 A 11 LEU H A 10 ILE HG1x 1.0 1.8 6.0 246 242 A 12 GLY H A 11 LEU HA 1.0 1.8 6.0 247 243 A 1 SER HA A 11 LEU HBy 1.0 1.8 6.0 248 244 A 1 SER HBx A 11 LEU HBy 1.0 1.8 6.0 249 245 A 12 GLY HAx A 11 LEU HBy 1.0 1.8 6.0 250 246 A 12 GLY H A 11 LEU HBy 1.0 1.8 6.0 251 247 A 13 TYR HE% A 11 LEU HBy 1.0 1.8 6.0 252 248 A 11 LEU HBx A 1 SER HA 1.0 1.8 6.0 253 249 A 10 ILE HA A 11 LEU HBx 1.0 1.8 6.0 254 250 A 11 LEU HBx A 13 TYR HE% 1.0 1.8 6.0 255 251 A 13 TYR HD% A 11 LEU HDx% 1.0 1.8 6.0 256 252 A 13 TYR HE% A 11 LEU HDx% 1.0 1.8 6.0 257 253 A 11 LEU H A 11 LEU HDy% 1.0 1.8 6.0 258 254 A 1 SER HA A 11 LEU HG 1.0 1.8 6.0 259 255 A 11 LEU H A 9 ASP H 1.0 1.8 6.0 260 256 A 8 ASN HD2x A 12 GLY HAx 1.0 1.8 6.0 261 257 A 8 ASN HD2y A 12 GLY HAx 1.0 1.8 6.0 262 258 A 11 LEU H A 12 GLY HAx 1.0 1.8 6.0 263 259 A 12 GLY H A 9 ASP H 1.0 1.8 6.0 264 260 A 1 SER HBy A 13 TYR HBy 1.0 1.8 6.0 265 261 A 1 SER HBx A 13 TYR HBy 1.0 1.8 6.0 266 262 A 13 TYR HBy A 3 GLY H 1.0 1.8 6.0 267 263 A 13 TYR HBx A 14 PRO HDy 1.0 1.8 6.0 268 264 A 2 LEU H A 13 TYR HD% 1.0 1.8 6.0 269 265 A 13 TYR HD% A 3 GLY H 1.0 1.8 6.0 270 266 A 14 PRO HA A 9 ASP H 1.0 1.8 6.0 271 267 A 14 PRO HBy A 14 PRO HDy 1.0 1.8 6.0 272 268 A 15 ALA H A 14 PRO HBx 1.0 1.8 6.0 273 269 A 14 PRO HA A 14 PRO HDy 1.0 1.8 6.0 274 270 A 14 PRO HDx A 14 PRO HA 1.0 1.8 6.0 275 271 A 15 ALA H A 14 PRO HGx 1.0 1.8 6.0 276 271 A 15 ALA H A 14 PRO HGy 1.0 1.8 6.0 277 272 A 15 ALA HA A 9 ASP H 1.0 1.8 6.0 278 273 A 1 SER HA A 15 ALA HB% 1.0 1.8 6.0 279 274 A 15 ALA HB% A 7 TYR HBy 1.0 1.8 6.0 280 275 A 15 ALA HB% A 8 ASN HA 1.0 1.8 6.0 281 276 A 15 ALA HA A 16 LEU HBy 1.0 1.8 6.0 282 277 A 2 LEU HBy A 16 LEU HDx% 1.0 1.8 6.0 283 278 A 16 LEU HDx% A 3 GLY HAy 1.0 1.8 6.0 284 279 A 16 LEU HDx% A 21 PRO HA 1.0 1.8 6.0 285 280 A 2 LEU HBy A 16 LEU HDy% 1.0 1.8 6.0 286 281 A 15 ALA HA A 16 LEU HG 1.0 1.8 6.0 287 282 A 16 LEU HA A 16 LEU HG 1.0 1.8 6.0 288 283 A 17 ILE HG1x A 17 ILE HA 1.0 1.8 6.0 289 284 A 18 VAL HGx% A 20 TYR HD% 1.0 1.8 6.0 290 285 A 20 TYR HE% A 18 VAL HGx% 1.0 1.8 6.0 291 286 A 18 VAL HGy% A 20 TYR HD% 1.0 1.8 6.0 292 287 A 20 TYR HE% A 18 VAL HGy% 1.0 1.8 6.0 293 288 A 20 TYR HD% A 21 PRO HBx 1.0 1.8 6.0 294 289 A 3 GLY HAx A 3 GLY HAy 1.0 1.8 3.5 295 290 A 8 ASN HA A 9 ASP H 1.0 1.8 3.5 296 291 A 9 ASP HBy A 9 ASP HA 1.0 1.8 3.5 297 292 A 9 ASP HBy A 9 ASP HA 1.0 1.8 3.5 298 293 A 13 TYR HBy A 13 TYR HA 1.0 1.8 3.5 299 294 A 13 TYR HBx A 13 TYR HA 1.0 1.8 3.5 300 295 A 14 PRO HDy A 13 TYR HA 1.0 1.8 3.5 301 296 A 14 PRO HDx A 13 TYR HA 1.0 1.8 3.5 302 297 A 13 TYR HA A 14 PRO HGx 1.0 1.8 3.5 303 297 A 14 PRO HGy A 13 TYR HA 1.0 1.8 3.5 304 298 A 14 PRO HDx A 13 TYR HA 1.0 1.8 3.5 305 299 A 13 TYR HA A 14 PRO HGx 1.0 1.8 3.5 306 299 A 14 PRO HGy A 13 TYR HA 1.0 1.8 3.5 307 300 A 3 GLY HAy A 3 GLY H 1.0 1.8 4.5 308 301 A 9 ASP H A 9 ASP HA 1.0 1.8 4.5 309 302 A 13 TYR HD% A 13 TYR HA 1.0 1.8 4.5 310 303 A 13 TYR H A 13 TYR HA 1.0 1.8 4.5 311 304 A 16 LEU HBx A 3 GLY HAy 1.0 1.8 4.5 312 305 A 16 LEU HDx% A 3 GLY HAy 1.0 1.8 4.5 313 306 A 16 LEU HDy% A 3 GLY HAy 1.0 1.8 4.5 314 307 A 3 GLY HAy A 16 LEU HG 1.0 1.8 4.5 315 308 A 20 TYR HBy A 20 TYR HA 1.0 1.8 4.5 316 309 A 20 TYR HBx A 20 TYR HA 1.0 1.8 4.5 317 310 A 20 TYR HA A 21 PRO HDy 1.0 1.8 4.5 318 311 A 20 TYR HA A 21 PRO HDx 1.0 1.8 4.5 319 312 A 16 LEU H A 3 GLY HAy 1.0 1.8 6.0 320 313 A 15 ALA H A 9 ASP HA 1.0 1.8 6.0 321 314 A 13 TYR HE% A 13 TYR HA 1.0 1.8 6.0 322 315 A 20 TYR HD% A 20 TYR HA 1.0 1.8 6.0 323 316 A 21 PRO HBx A 20 TYR HA 1.0 1.8 6.0 stop_ save_