data_nef_c30710_6vgt 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 6VGT 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 ABA C 1 2 DBU N 1 1 ABA CB 1 5 CYS SG 1 2 DBU C 1 3 PRO N 1 9 ALA C 1 10 DBU N 1 10 DBU C 1 11 ALA N 1 14 ALA C 1 15 DHA N 1 15 DHA C 1 16 ALA N 1 29 VAL C 1 30 DBU N 1 30 DBU C 1 31 VAL N 1 33 VAL C 1 34 DAL N 1 34 DAL C 1 35 LEU N 1 34 DAL CB 1 38 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 ABA start -OXT . 2 A 2 DBU middle -H2,-OXT . 3 A 3 PRO middle -H false 4 A 4 VAL middle . . 5 A 5 CYS middle -HG . 6 A 6 ALA middle . . 7 A 7 VAL middle . . 8 A 8 ALA middle . . 9 A 9 ALA middle -OXT . 10 A 10 DBU middle -H2,-OXT . 11 A 11 ALA middle -H2 . 12 A 12 ALA middle . . 13 A 13 ALA middle . . 14 A 14 ALA middle -OXT . 15 A 15 DHA middle -H2,-OXT . 16 A 16 ALA middle -H2 . 17 A 17 ALA middle . . 18 A 18 CYS middle . . 19 A 19 GLY middle . false 20 A 20 TRP middle . . 21 A 21 VAL middle . . 22 A 22 GLY middle . false 23 A 23 GLY middle . false 24 A 24 GLY middle . false 25 A 25 ILE middle . . 26 A 26 PHE middle . . 27 A 27 THR middle . . 28 A 28 GLY middle . false 29 A 29 VAL middle -OXT . 30 A 30 DBU middle -H2,-OXT . 31 A 31 VAL middle -H2 . 32 A 32 VAL middle . . 33 A 33 VAL middle -OXT . 34 A 34 DAL middle -H2,-OXT . 35 A 35 LEU middle -H2 . 36 A 36 LYS middle . . 37 A 37 HIS middle . . 38 A 38 CYS end -HG . 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 ABA HA H 1 4.104 0.000 A 1 ABA HG% H 1 1.332 0.000 A 2 DBU HB H 1 5.838 0.011 A 2 DBU HG% H 1 1.851 0.000 A 3 PRO HA H 1 4.370 0.001 A 3 PRO HBx H 1 2.099 0.004 A 3 PRO HBy H 1 2.404 0.001 A 3 PRO HDx H 1 3.759 0.004 A 3 PRO HDy H 1 4.016 0.003 A 3 PRO HGx H 1 2.116 0.000 A 3 PRO HGy H 1 2.116 0.000 A 4 VAL HA H 1 3.682 0.003 A 4 VAL HB H 1 2.290 0.003 A 4 VAL HGx% H 1 1.094 0.000 A 4 VAL HGy% H 1 1.016 0.000 A 5 CYS H H 1 7.520 0.006 A 5 CYS HA H 1 4.153 0.001 A 5 CYS HBx H 1 2.563 0.000 A 5 CYS HBy H 1 3.190 0.009 A 6 ALA H H 1 8.217 0.005 A 6 ALA HA H 1 4.029 0.001 A 6 ALA HB% H 1 1.450 0.013 A 7 VAL H H 1 7.831 0.005 A 7 VAL HA H 1 3.570 0.002 A 7 VAL HB H 1 2.165 0.002 A 7 VAL HGx% H 1 1.119 0.003 A 7 VAL HGy% H 1 0.952 0.000 A 8 ALA H H 1 8.051 0.002 A 8 ALA HA H 1 4.112 0.002 A 8 ALA HB% H 1 1.415 0.048 A 9 ALA H H 1 8.316 0.003 A 9 ALA HA H 1 4.112 0.002 A 9 ALA HB% H 1 1.572 0.001 A 10 DBU H H 1 9.173 0.000 A 10 DBU HB H 1 6.296 0.000 A 10 DBU HG% H 1 1.762 0.000 A 11 ALA H H 1 8.232 0.038 A 11 ALA HA H 1 4.151 0.001 A 11 ALA HB% H 1 1.455 0.016 A 12 ALA H H 1 8.036 0.005 A 12 ALA HA H 1 4.063 0.001 A 12 ALA HB% H 1 1.497 0.002 A 13 ALA H H 1 8.047 0.003 A 13 ALA HA H 1 4.034 0.002 A 13 ALA HB% H 1 1.512 0.004 A 14 ALA H H 1 7.947 0.002 A 14 ALA HA H 1 4.311 0.001 A 15 DHA H H 1 9.391 0.000 A 16 ALA H H 1 8.946 0.001 A 16 ALA HA H 1 4.127 0.002 A 16 ALA HB% H 1 1.481 0.005 A 17 ALA H H 1 8.318 0.001 A 17 ALA HA H 1 4.212 0.002 A 17 ALA HB% H 1 1.638 0.001 A 18 CYS H H 1 8.020 0.002 A 18 CYS HA H 1 3.956 0.001 A 18 CYS HBx H 1 2.884 0.003 A 18 CYS HBy H 1 3.234 0.004 A 19 GLY H H 1 8.448 0.003 A 19 GLY HAx H 1 3.766 0.000 A 19 GLY HAy H 1 3.861 0.000 A 20 TRP H H 1 8.365 0.003 A 20 TRP HA H 1 4.483 0.002 A 20 TRP HBx H 1 3.329 0.005 A 20 TRP HBy H 1 3.400 0.003 A 20 TRP HD1 H 1 7.135 0.001 A 20 TRP HE1 H 1 10.351 0.000 A 20 TRP HE3 H 1 7.543 0.002 A 20 TRP HH2 H 1 7.086 0.079 A 20 TRP HZ2 H 1 8.049 1.328 A 20 TRP HZ3 H 1 6.977 0.016 A 21 VAL H H 1 8.173 0.002 A 21 VAL HA H 1 3.771 0.001 A 21 VAL HB H 1 2.178 0.001 A 21 VAL HGx% H 1 1.122 0.006 A 21 VAL HGy% H 1 0.979 0.002 A 22 GLY HAx H 1 3.769 0.000 A 22 GLY HAy H 1 3.870 0.000 A 23 GLY H H 1 8.419 0.002 A 23 GLY HAx H 1 3.840 0.000 A 23 GLY HAy H 1 3.901 0.000 A 24 GLY H H 1 8.287 0.000 A 24 GLY HAx H 1 3.874 0.000 A 24 GLY HAy H 1 3.874 0.000 A 25 ILE H H 1 8.273 0.001 A 25 ILE HA H 1 3.833 0.001 A 25 ILE HB H 1 1.956 0.004 A 25 ILE HD1% H 1 0.854 0.000 A 25 ILE HG1x H 1 1.123 0.000 A 25 ILE HG1y H 1 1.726 0.001 A 25 ILE HG2% H 1 0.851 0.000 A 26 PHE H H 1 8.304 0.002 A 26 PHE HA H 1 4.223 0.004 A 26 PHE HDx H 1 7.202 0.029 A 26 PHE HDy H 1 7.202 0.029 A 26 PHE HEx H 1 7.223 0.002 A 26 PHE HEy H 1 7.223 0.002 A 27 THR H H 1 8.183 0.001 A 27 THR HA H 1 3.728 0.001 A 27 THR HG2% H 1 1.189 0.001 A 28 GLY H H 1 8.180 0.001 A 28 GLY HAx H 1 3.839 0.000 A 28 GLY HAy H 1 3.839 0.000 A 29 VAL H H 1 8.309 0.001 A 29 VAL HA H 1 3.616 0.002 A 29 VAL HB H 1 2.301 0.006 A 29 VAL HGx% H 1 1.092 0.007 A 29 VAL HGy% H 1 0.912 0.001 A 30 DBU H H 1 9.345 0.001 A 30 DBU HB H 1 6.135 0.000 A 30 DBU HG% H 1 1.363 0.002 A 31 VAL H H 1 8.138 0.001 A 31 VAL HA H 1 3.776 0.002 A 31 VAL HB H 1 2.319 0.000 A 31 VAL HGx% H 1 1.103 0.002 A 31 VAL HGy% H 1 0.953 0.001 A 32 VAL H H 1 7.664 0.002 A 32 VAL HA H 1 3.609 0.003 A 32 VAL HB H 1 2.305 0.001 A 32 VAL HGx% H 1 1.100 0.006 A 32 VAL HGy% H 1 0.959 0.002 A 33 VAL H H 1 8.436 0.001 A 33 VAL HA H 1 3.497 0.001 A 33 VAL HB H 1 2.067 0.001 A 33 VAL HGx% H 1 0.935 0.004 A 33 VAL HGy% H 1 0.908 0.006 A 34 DAL H H 1 8.720 0.002 A 34 DAL HA H 1 3.997 0.000 A 34 DAL HB% H 1 2.600 0.003 A 35 LEU H H 1 8.644 0.002 A 35 LEU HA H 1 4.069 0.003 A 35 LEU HBx H 1 1.476 0.004 A 35 LEU HBy H 1 2.021 0.009 A 35 LEU HD1% H 1 0.915 0.001 A 35 LEU HD2% H 1 0.893 0.001 A 35 LEU HG H 1 1.989 0.010 A 36 LYS H H 1 7.566 0.004 A 36 LYS HA H 1 4.294 0.004 A 36 LYS HBx H 1 1.673 0.001 A 36 LYS HBy H 1 1.673 0.001 A 36 LYS HDx H 1 1.557 0.003 A 36 LYS HDy H 1 1.557 0.003 A 36 LYS HEx H 1 2.809 0.000 A 36 LYS HEy H 1 2.854 0.001 A 36 LYS HGx H 1 1.393 0.005 A 36 LYS HGy H 1 1.393 0.005 A 37 HIS H H 1 8.362 0.004 A 37 HIS HA H 1 4.999 0.001 A 37 HIS HBx H 1 2.905 0.002 A 37 HIS HBy H 1 3.410 0.005 A 37 HIS HD2 H 1 7.289 0.000 A 38 CYS H H 1 9.482 0.001 A 38 CYS HA H 1 4.621 0.001 A 38 CYS HBx H 1 2.745 0.004 A 38 CYS HBy H 1 3.643 0.002 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 ABA HA A 4 VAL HB 1.0 1.8 4.5 2 2 A 1 ABA HA A 4 VAL HGy% 1.0 1.8 5.5 3 3 A 1 ABA HA A 5 CYS H 1.0 1.8 3.5 4 4 A 3 PRO HA A 3 PRO HBy 1.0 1.8 3.5 5 5 A 3 PRO HA A 3 PRO HBx 1.0 1.8 3.5 6 6 A 3 PRO HA A 6 ALA HB% 1.0 1.8 3.5 7 7 A 3 PRO HBx A 3 PRO HDy 1.0 1.8 3.5 8 8 A 3 PRO HDy A 3 PRO HDx 1.0 1.8 3.5 9 9 A 3 PRO HBy A 3 PRO HDx 1.0 1.8 3.5 10 10 A 3 PRO HBx A 3 PRO HDx 1.0 1.8 3.5 11 11 A 4 VAL HA A 4 VAL HGx% 1.0 1.8 3.5 12 12 A 4 VAL HGy% A 4 VAL HA 1.0 1.8 3.5 13 13 A 5 CYS H A 4 VAL HA 1.0 1.8 6.0 14 14 A 4 VAL HA A 7 VAL HB 1.0 1.8 3.5 15 15 A 4 VAL HB A 5 CYS H 1.0 1.8 3.5 16 16 A 5 CYS H A 4 VAL HGx% 1.0 1.8 6.0 17 17 A 5 CYS HA A 5 CYS HBy 1.0 1.8 3.5 18 18 A 5 CYS HA A 5 CYS HBx 1.0 1.8 3.5 19 19 A 5 CYS HBy A 5 CYS HBx 1.0 1.8 3.5 20 20 A 5 CYS H A 5 CYS HBy 1.0 1.8 4.5 21 21 A 5 CYS HBy A 6 ALA H 1.0 1.8 3.5 22 22 A 5 CYS H A 6 ALA H 1.0 1.8 3.5 23 23 A 6 ALA HB% A 6 ALA HA 1.0 1.8 3.5 24 24 A 6 ALA H A 6 ALA HA 1.0 1.8 3.5 25 25 A 6 ALA HA A 9 ALA HB% 1.0 1.8 5.0 26 26 A 6 ALA HA A 9 ALA H 1.0 1.8 4.5 27 27 A 6 ALA HB% A 6 ALA H 1.0 1.8 3.5 28 28 A 6 ALA HB% A 7 VAL H 1.0 1.8 6.0 29 29 A 7 VAL HB A 7 VAL HA 1.0 1.8 3.5 30 30 A 7 VAL HA A 7 VAL HGx% 1.0 1.8 3.5 31 31 A 7 VAL HA A 7 VAL HGy% 1.0 1.8 3.5 32 32 A 7 VAL H A 7 VAL HA 1.0 1.8 3.5 33 33 A 7 VAL HB A 7 VAL HGx% 1.0 1.8 3.5 34 34 A 7 VAL HB A 7 VAL HGy% 1.0 1.8 3.5 35 35 A 7 VAL HB A 7 VAL H 1.0 1.8 3.5 36 36 A 7 VAL HB A 8 ALA H 1.0 1.8 3.5 37 37 A 7 VAL H A 7 VAL HGx% 1.0 1.8 3.5 38 38 A 6 ALA H A 7 VAL H 1.0 1.8 3.5 39 39 A 7 VAL H A 8 ALA H 1.0 1.8 3.5 40 40 A 8 ALA HA A 8 ALA HB% 1.0 1.8 3.5 41 41 A 8 ALA H A 8 ALA HA 1.0 1.8 3.5 42 42 A 8 ALA H A 8 ALA HB% 1.0 1.8 3.5 43 43 A 9 ALA HB% A 9 ALA HA 1.0 1.8 3.5 44 44 A 9 ALA H A 9 ALA HA 1.0 1.8 3.5 45 45 A 9 ALA HB% A 9 ALA H 1.0 1.8 3.5 46 46 A 11 ALA HA A 11 ALA HB% 1.0 1.8 3.5 47 47 A 11 ALA HA A 11 ALA H 1.0 1.8 3.5 48 48 A 11 ALA HB% A 11 ALA H 1.0 1.8 3.5 49 49 A 11 ALA HB% A 12 ALA H 1.0 1.8 5.0 50 50 A 12 ALA HA A 12 ALA HB% 1.0 1.8 3.5 51 51 A 12 ALA H A 12 ALA HA 1.0 1.8 3.5 52 52 A 12 ALA H A 12 ALA HB% 1.0 1.8 3.5 53 53 A 13 ALA HA A 13 ALA HB% 1.0 1.8 3.5 54 54 A 13 ALA HA A 13 ALA H 1.0 1.8 3.5 55 55 A 13 ALA HB% A 13 ALA H 1.0 1.8 3.5 56 56 A 13 ALA HB% A 14 ALA H 1.0 1.8 4.5 57 57 A 13 ALA H A 14 ALA H 1.0 1.8 3.5 58 58 A 14 ALA HA A 14 ALA HB1 1.0 1.8 3.5 59 59 A 14 ALA H A 14 ALA HB1 1.0 1.8 3.5 60 60 A 14 ALA HB1 A 18 CYS H 1.0 1.8 6.0 61 61 A 14 ALA H A 14 ALA HB1 1.0 1.8 4.0 62 62 A 16 ALA HB% A 16 ALA HA 1.0 1.8 3.5 63 63 A 16 ALA H A 16 ALA HA 1.0 1.8 3.5 64 64 A 16 ALA H A 16 ALA HB% 1.0 1.8 3.5 65 65 A 16 ALA HB% A 17 ALA H 1.0 1.8 3.5 66 66 A 17 ALA HA A 17 ALA HB% 1.0 1.8 3.5 67 67 A 17 ALA H A 17 ALA HA 1.0 1.8 3.5 68 68 A 17 ALA HA A 20 TRP HBy 1.0 1.8 4.5 69 69 A 17 ALA HA A 20 TRP HBx 1.0 1.8 4.5 70 70 A 17 ALA H A 17 ALA HB% 1.0 1.8 3.5 71 71 A 18 CYS H A 17 ALA HB% 1.0 1.8 3.5 72 72 A 16 ALA H A 17 ALA H 1.0 1.8 3.5 73 73 A 18 CYS HA A 18 CYS HBy 1.0 1.8 3.5 74 74 A 18 CYS HA A 18 CYS HBx 1.0 1.8 3.5 75 75 A 18 CYS H A 18 CYS HA 1.0 1.8 3.5 76 76 A 18 CYS HA A 21 VAL HB 1.0 1.8 4.5 77 77 A 18 CYS HA A 21 VAL HGx% 1.0 1.8 6.0 78 78 A 18 CYS H A 18 CYS HBy 1.0 1.8 3.5 79 79 A 18 CYS HBy A 18 CYS HBx 1.0 1.8 3.5 80 80 A 18 CYS HBy A 19 GLY H 1.0 1.8 3.5 81 81 A 18 CYS H A 18 CYS HBx 1.0 1.8 3.5 82 82 A 18 CYS HBx A 19 GLY H 1.0 1.8 3.5 83 83 A 18 CYS H A 17 ALA H 1.0 1.8 3.5 84 84 A 19 GLY H A 19 GLY HAy 1.0 1.8 3.5 85 85 A 19 GLY H A 19 GLY HAx 1.0 1.8 3.5 86 86 A 19 GLY HAy A 20 TRP H 1.0 1.8 4.5 87 87 A 19 GLY HAx A 20 TRP H 1.0 1.8 4.5 88 88 A 18 CYS H A 19 GLY H 1.0 1.8 3.5 89 89 A 18 CYS H A 20 TRP H 1.0 1.8 5.0 90 90 A 20 TRP HBy A 20 TRP HA 1.0 1.8 3.5 91 91 A 20 TRP HBx A 20 TRP HA 1.0 1.8 3.5 92 92 A 20 TRP H A 20 TRP HA 1.0 1.8 3.5 93 93 A 20 TRP HBy A 20 TRP HE3 1.0 1.8 3.5 94 94 A 20 TRP HBy A 21 VAL H 1.0 1.8 3.5 95 95 A 20 TRP HBx A 20 TRP H 1.0 1.8 3.5 96 96 A 20 TRP HBx A 21 VAL H 1.0 1.8 3.5 97 97 A 20 TRP HD1 A 20 TRP HE1 1.0 1.8 3.5 98 98 A 20 TRP HE3 A 20 TRP HZ3 1.0 1.8 3.5 99 99 A 19 GLY H A 20 TRP H 1.0 1.8 3.5 100 100 A 21 VAL HB A 21 VAL HA 1.0 1.8 3.5 101 101 A 21 VAL HA A 25 ILE HB 1.0 1.8 4.5 102 102 A 21 VAL HB A 21 VAL HGy% 1.0 1.8 3.5 103 103 A 21 VAL HB A 21 VAL H 1.0 1.8 3.5 104 104 A 21 VAL HB A 23 GLY H 1.0 1.8 4.5 105 105 A 21 VAL HGx% A 21 VAL H 1.0 1.8 3.5 106 106 A 21 VAL H A 21 VAL HGy% 1.0 1.8 3.5 107 107 A 27 THR HG1 A 24 GLY HAx 1.0 1.8 3.5 108 107 A 27 THR HG2% A 24 GLY HAx 1.0 1.8 3.5 109 107 A 24 GLY HAy A 27 THR HG2% 1.0 1.8 3.5 110 107 A 24 GLY HAy A 27 THR HG1 1.0 1.8 3.5 111 108 A 23 GLY H A 24 GLY H 1.0 1.8 3.5 112 109 A 25 ILE HB A 25 ILE HA 1.0 1.8 3.5 113 110 A 25 ILE HA A 25 ILE HG2% 1.0 1.8 3.5 114 111 A 25 ILE HA A 26 PHE H 1.0 1.8 3.5 115 112 A 25 ILE HB A 25 ILE HG1y 1.0 1.8 3.5 116 112 A 25 ILE HB A 25 ILE HG2% 1.0 1.8 3.5 117 112 A 25 ILE HB A 25 ILE HG1x 1.0 1.8 3.5 118 113 A 25 ILE HB A 25 ILE H 1.0 1.8 3.5 119 114 A 25 ILE HB A 26 PHE H 1.0 1.8 3.5 120 115 A 26 PHE H A 25 ILE HG2% 1.0 1.8 4.5 121 116 A 25 ILE HG1x A 25 ILE HG1y 1.0 1.8 3.5 122 117 A 25 ILE HG2% A 25 ILE HG1y 1.0 1.8 3.5 123 118 A 25 ILE HG1x A 25 ILE H 1.0 1.8 4.5 124 119 A 25 ILE H A 25 ILE HG1y 1.0 1.8 4.5 125 120 A 26 PHE HA A 25 ILE HD1% 1.0 1.8 3.5 126 121 A 26 PHE HA A 25 ILE HG2% 1.0 1.8 4.5 127 122 A 26 PHE HA A 26 PHE HBx 1.0 1.8 3.5 128 122 A 26 PHE HA A 26 PHE HBy 1.0 1.8 3.5 129 123 A 26 PHE H A 26 PHE HA 1.0 1.8 3.5 130 124 A 26 PHE HA A 29 VAL HB 1.0 1.8 3.5 131 125 A 26 PHE HA A 29 VAL HGx% 1.0 1.8 3.5 132 126 A 26 PHE HD% A 26 PHE HBx 1.0 1.8 3.5 133 126 A 26 PHE HBy A 26 PHE HD% 1.0 1.8 3.5 134 127 A 26 PHE HD% A 26 PHE HE% 1.0 1.8 3.5 135 128 A 26 PHE H A 26 PHE HBx 1.0 1.8 3.5 136 128 A 26 PHE H A 26 PHE HBy 1.0 1.8 3.5 137 129 A 27 THR H A 26 PHE HBx 1.0 1.8 3.5 138 129 A 26 PHE HBy A 27 THR H 1.0 1.8 3.5 139 130 A 27 THR HA A 27 THR HG2% 1.0 1.8 3.5 140 130 A 27 THR HG1 A 27 THR HA 1.0 1.8 3.5 141 131 A 27 THR HA A 31 VAL HB 1.0 1.8 4.5 142 132 A 27 THR HB A 24 GLY HAx 1.0 1.8 4.5 143 132 A 24 GLY HAy A 27 THR HB 1.0 1.8 4.5 144 133 A 27 THR HA A 27 THR HB 1.0 1.8 3.5 145 134 A 27 THR HB A 27 THR HG2% 1.0 1.8 3.5 146 134 A 27 THR HG1 A 27 THR HB 1.0 1.8 3.5 147 135 A 27 THR H A 27 THR HB 1.0 1.8 3.5 148 136 A 27 THR H A 27 THR HG2% 1.0 1.8 3.5 149 136 A 27 THR HG1 A 27 THR H 1.0 1.8 3.5 150 137 A 28 GLY H A 29 VAL H 1.0 1.8 3.5 151 138 A 31 VAL HGx% A 28 GLY HAx 1.0 2.3 5.0 152 138 A 28 GLY HAy A 31 VAL HGx% 1.0 2.3 5.0 153 139 A 29 VAL HB A 29 VAL HA 1.0 1.8 3.5 154 140 A 29 VAL HA A 29 VAL HGy% 1.0 1.8 3.5 155 141 A 29 VAL H A 29 VAL HA 1.0 1.8 3.5 156 142 A 29 VAL HB A 29 VAL HGy% 1.0 1.8 3.5 157 143 A 29 VAL HB A 29 VAL H 1.0 1.8 3.5 158 144 A 29 VAL HGx% A 29 VAL H 1.0 1.8 3.5 159 145 A 29 VAL H A 29 VAL HGy% 1.0 1.8 3.5 160 146 A 31 VAL HB A 31 VAL HA 1.0 1.8 3.5 161 147 A 31 VAL HGx% A 31 VAL HA 1.0 1.8 3.5 162 148 A 31 VAL HA A 31 VAL HGy% 1.0 1.8 3.5 163 149 A 31 VAL HB A 31 VAL H 1.0 1.8 3.5 164 150 A 31 VAL HGx% A 31 VAL H 1.0 1.8 3.5 165 151 A 31 VAL HGy% A 31 VAL H 1.0 1.8 3.5 166 152 A 32 VAL HA A 32 VAL HB 1.0 1.8 3.5 167 153 A 32 VAL HA A 32 VAL HGx% 1.0 1.8 3.5 168 154 A 32 VAL HA A 32 VAL HGy% 1.0 1.8 3.5 169 155 A 32 VAL HA A 32 VAL H 1.0 1.8 3.5 170 156 A 32 VAL HA A 33 VAL H 1.0 1.8 3.5 171 157 A 32 VAL HA A 35 LEU HBy 1.0 1.8 3.5 172 158 A 32 VAL HA A 35 LEU HBx 1.0 1.8 4.5 173 159 A 32 VAL HB A 32 VAL HGx% 1.0 1.8 3.5 174 160 A 32 VAL HB A 32 VAL HGy% 1.0 1.8 3.5 175 161 A 32 VAL HB A 32 VAL H 1.0 1.8 3.5 176 162 A 32 VAL HGx% A 32 VAL H 1.0 1.8 3.5 177 163 A 32 VAL HGx% A 33 VAL H 1.0 1.8 3.5 178 164 A 32 VAL HGy% A 32 VAL H 1.0 1.8 3.5 179 165 A 31 VAL H A 32 VAL H 1.0 1.8 3.5 180 166 A 32 VAL H A 33 VAL H 1.0 1.8 3.5 181 167 A 33 VAL HA A 33 VAL HB 1.0 1.8 3.5 182 168 A 33 VAL HA A 33 VAL HGx% 1.0 1.8 3.5 183 169 A 33 VAL HA A 33 VAL HGy% 1.0 1.8 3.5 184 170 A 33 VAL H A 33 VAL HA 1.0 1.8 3.5 185 171 A 33 VAL HA A 36 LYS HBx 1.0 1.8 3.5 186 171 A 33 VAL HA A 36 LYS HBy 1.0 1.8 3.5 187 172 A 33 VAL HA A 36 LYS HGx 1.0 1.8 3.5 188 172 A 33 VAL HA A 36 LYS HGy 1.0 1.8 3.5 189 173 A 33 VAL HA A 36 LYS H 1.0 1.8 3.5 190 174 A 33 VAL HA A 37 HIS HD2 1.0 1.8 3.5 191 175 A 33 VAL H A 33 VAL HB 1.0 1.8 3.5 192 176 A 33 VAL H A 33 VAL HGx% 1.0 1.8 3.5 193 177 A 33 VAL H A 33 VAL HGy% 1.0 1.8 3.5 194 178 A 33 VAL HGy% A 34 DAL HA 1.0 1.8 3.5 195 179 A 34 DAL HA A 35 LEU H 1.0 1.8 3.5 196 180 A 34 DAL HA A 37 HIS H 1.0 1.8 4.5 197 181 A 34 DAL HA A 38 CYS H 1.0 1.8 3.5 198 182 A 35 LEU HBy A 35 LEU HA 1.0 1.8 3.5 199 183 A 35 LEU HA A 35 LEU HD1% 1.0 1.8 3.5 200 184 A 35 LEU HA A 35 LEU HD2% 1.0 1.8 6.0 201 185 A 35 LEU H A 35 LEU HA 1.0 1.8 3.5 202 186 A 36 LYS H A 35 LEU HA 1.0 0.8 6.0 203 187 A 35 LEU HBy A 35 LEU H 1.0 1.8 3.5 204 188 A 35 LEU HBy A 36 LYS H 1.0 1.8 3.5 205 189 A 35 LEU HBx A 35 LEU H 1.0 1.8 3.5 206 190 A 35 LEU H A 35 LEU HD1% 1.0 1.8 3.5 207 191 A 33 VAL HGy% A 37 HIS HD2 1.0 1.8 4.5 208 192 A 35 LEU HBx A 35 LEU HG 1.0 1.8 3.5 209 193 A 35 LEU HD1% A 35 LEU HG 1.0 1.8 3.5 210 194 A 35 LEU HD2% A 35 LEU HG 1.0 1.8 3.5 211 195 A 36 LYS HA A 36 LYS HBx 1.0 1.8 3.5 212 195 A 36 LYS HBy A 36 LYS HA 1.0 1.8 3.5 213 196 A 36 LYS HA A 36 LYS HDx 1.0 1.8 3.5 214 196 A 36 LYS HA A 36 LYS HDy 1.0 1.8 3.5 215 197 A 36 LYS HA A 36 LYS HGx 1.0 1.8 3.5 216 197 A 36 LYS HGy A 36 LYS HA 1.0 1.8 3.5 217 198 A 36 LYS H A 36 LYS HA 1.0 1.8 3.5 218 199 A 37 HIS H A 36 LYS HA 1.0 1.8 3.5 219 200 A 36 LYS H A 36 LYS HBx 1.0 1.8 3.5 220 200 A 36 LYS HBy A 36 LYS H 1.0 1.8 3.5 221 201 A 37 HIS HD2 A 36 LYS HBx 1.0 1.8 3.5 222 201 A 36 LYS HBy A 37 HIS HD2 1.0 1.8 3.5 223 202 A 37 HIS HD2 A 36 LYS HDx 1.0 1.8 7.0 224 202 A 37 HIS HD2 A 36 LYS HDy 1.0 1.8 7.0 225 203 A 37 HIS HD2 A 36 LYS HGx 1.0 1.8 4.5 226 203 A 36 LYS HGy A 37 HIS HD2 1.0 1.8 4.5 227 204 A 36 LYS H A 36 LYS HGx 1.0 1.8 3.5 228 204 A 36 LYS HGy A 36 LYS H 1.0 1.8 3.5 229 205 A 36 LYS H A 35 LEU H 1.0 1.8 3.5 230 206 A 36 LYS H A 37 HIS H 1.0 1.8 3.5 231 207 A 37 HIS HBy A 37 HIS HBx 1.0 1.8 3.5 232 208 A 37 HIS H A 37 HIS HBy 1.0 1.8 4.5 233 209 A 33 VAL HGy% A 37 HIS HBx 1.0 2.3 5.0 234 210 A 37 HIS HD2 A 37 HIS HBx 1.0 1.8 3.5 235 211 A 37 HIS H A 37 HIS HBx 1.0 1.8 4.5 236 212 A 37 HIS H A 38 CYS H 1.0 1.8 3.5 237 213 A 35 LEU H A 37 HIS H 1.0 1.8 6.0 238 214 A 38 CYS HBy A 38 CYS HBx 1.0 1.8 3.5 239 215 A 38 CYS H A 38 CYS HBy 1.0 1.8 3.5 240 216 A 38 CYS H A 38 CYS HBx 1.0 1.8 3.5 241 217 A 1 ABA HA A 4 VAL HGx% 1.0 1.8 5.5 242 218 A 4 VAL HB A 4 VAL HA 1.0 1.8 4.5 243 219 A 4 VAL HA A 7 VAL H 1.0 1.8 6.0 244 220 A 5 CYS H A 5 CYS HA 1.0 1.8 4.5 245 221 A 5 CYS H A 5 CYS HBx 1.0 1.8 4.5 246 222 A 5 CYS HBx A 6 ALA H 1.0 1.8 4.5 247 223 A 13 ALA HA A 14 ALA H 1.0 1.8 4.5 248 224 A 14 ALA H A 14 ALA HA 1.0 1.8 4.5 249 225 A 16 ALA HA A 19 GLY H 1.0 1.8 6.0 250 226 A 18 CYS H A 17 ALA HA 1.0 1.8 4.5 251 227 A 17 ALA HA A 20 TRP H 1.0 1.8 6.0 252 228 A 18 CYS HA A 21 VAL H 1.0 1.8 6.0 253 229 A 14 ALA HB1 A 18 CYS HBx 1.0 1.8 4.5 254 230 A 14 ALA HB1 A 18 CYS HBy 1.0 1.8 4.5 255 231 A 20 TRP HA A 20 TRP HE3 1.0 1.8 5.5 256 232 A 20 TRP HA A 21 VAL H 1.0 1.8 4.5 257 233 A 20 TRP HBy A 20 TRP HD1 1.0 1.8 4.5 258 234 A 20 TRP HBy A 20 TRP H 1.0 1.8 4.5 259 235 A 18 CYS H A 20 TRP HBx 1.0 1.8 6.0 260 236 A 21 VAL H A 20 TRP HD1 1.0 1.8 4.5 261 237 A 20 TRP HE1 A 20 TRP HH2 1.0 1.8 4.5 262 238 A 21 VAL HA A 24 GLY H 1.0 1.8 4.5 263 239 A 25 ILE HB A 23 GLY H 1.0 1.8 6.5 264 240 A 26 PHE HA A 26 PHE HD% 1.0 1.8 4.5 265 241 A 26 PHE H A 26 PHE HD% 1.0 1.8 4.5 266 242 A 27 THR HA A 29 VAL H 1.0 1.8 5.0 267 243 A 27 THR HA A 31 VAL H 1.0 1.8 4.5 268 244 A 31 VAL HA A 32 VAL H 1.0 1.8 4.5 269 245 A 32 VAL HA A 35 LEU H 1.0 1.8 4.5 270 246 A 29 VAL HB A 25 ILE HG2% 1.0 1.8 7.0 271 247 A 32 VAL HGy% A 35 LEU HG 1.0 2.8 6.0 272 248 A 37 HIS HBy A 37 HIS HA 1.0 1.8 4.5 273 249 A 37 HIS HBx A 37 HIS HA 1.0 1.8 7.0 274 250 A 37 HIS HD2 A 37 HIS HBy 1.0 1.8 4.5 275 251 A 38 CYS HBx A 38 CYS HA 1.0 1.8 4.5 276 252 A 4 VAL HGy% A 5 CYS H 1.0 1.8 6.0 277 253 A 6 ALA HA A 7 VAL H 1.0 1.8 6.0 278 254 A 7 VAL HA A 8 ALA H 1.0 1.8 6.0 279 255 A 6 ALA H A 7 VAL HGx% 1.0 1.8 6.0 280 256 A 7 VAL HGx% A 8 ALA H 1.0 1.8 6.0 281 257 A 7 VAL H A 7 VAL HGy% 1.0 1.8 6.0 282 258 A 7 VAL HGy% A 8 ALA H 1.0 1.8 6.0 283 259 A 9 ALA HB% A 11 ALA H 1.0 1.8 6.0 284 260 A 11 ALA HA A 14 ALA HB1 1.0 1.8 6.5 285 261 A 11 ALA HA A 14 ALA H 1.0 1.8 6.0 286 262 A 20 TRP HA A 23 GLY H 1.0 1.8 7.0 287 263 A 20 TRP HBx A 20 TRP HD1 1.0 1.8 6.0 288 264 A 20 TRP H A 20 TRP HD1 1.0 1.8 6.0 289 265 A 21 VAL HA A 21 VAL HGy% 1.0 1.8 6.0 290 266 A 21 VAL HA A 25 ILE HG2% 1.0 1.8 5.2 291 267 A 25 ILE HA A 29 VAL HB 1.0 1.8 6.0 292 268 A 26 PHE HD% A 27 THR H 1.0 1.8 6.0 293 269 A 26 PHE HD% A 27 THR HA 1.0 1.8 6.0 294 270 A 31 VAL H A 32 VAL HA 1.0 1.8 6.0 295 271 A 32 VAL HGy% A 35 LEU H 1.0 1.8 6.0 296 272 A 33 VAL HA A 35 LEU H 1.0 1.8 6.0 297 273 A 33 VAL H A 35 LEU H 1.0 1.8 6.0 298 274 A 36 LYS H A 34 DAL HA 1.0 1.8 6.0 299 275 A 34 DAL HA A 38 CYS HBy 1.0 1.8 6.0 300 276 A 34 DAL HA A 38 CYS HBx 1.0 1.8 6.0 301 277 A 16 ALA HB% A 20 TRP HD1 1.0 1.8 6.0 302 278 A 36 LYS HEx A 36 LYS HDx 1.0 1.8 6.0 303 278 A 36 LYS HDy A 36 LYS HEx 1.0 1.8 6.0 304 279 A 33 VAL H A 36 LYS H 1.0 1.8 6.0 305 280 A 36 LYS H A 38 CYS H 1.0 1.8 6.0 306 281 A 38 CYS HBy A 38 CYS HA 1.0 1.8 6.0 307 282 A 3 PRO HA A 6 ALA H 1.0 1.8 7.0 308 283 A 4 VAL HA A 8 ALA H 1.0 1.8 7.0 309 284 A 16 ALA HA A 20 TRP H 1.0 1.8 7.0 310 285 A 17 ALA HA A 20 TRP HD1 1.0 1.8 7.0 311 286 A 16 ALA H A 17 ALA HB% 1.0 1.8 7.0 312 287 A 17 ALA HB% A 20 TRP HD1 1.0 1.8 7.0 313 288 A 20 TRP HA A 20 TRP HD1 1.0 1.8 7.0 314 289 A 20 TRP HD1 A 21 VAL HA 1.0 1.8 7.0 315 290 A 27 THR H A 25 ILE HG2% 1.0 1.8 7.0 316 291 A 26 PHE HE% A 27 THR HG2% 1.0 1.8 7.0 317 291 A 27 THR HG1 A 26 PHE HE% 1.0 1.8 7.0 318 292 A 31 VAL HA A 35 LEU H 1.0 1.8 7.0 319 293 A 32 VAL HGy% A 36 LYS HEy 1.0 1.8 7.0 320 294 A 32 VAL HGy% A 36 LYS HEx 1.0 1.8 7.0 stop_ save_