data_nef_c30625_6por 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 6POR 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 GLY N 1 8 GLU CD 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 start -H2 false 2 A 2 GLY middle . false 3 A 3 ASP middle . . 4 A 4 GLY middle . false 5 A 5 SER middle . . 6 A 6 ILE middle . . 7 A 7 ALA middle . . 8 A 8 GLU middle . . 9 A 9 TYR middle . . 10 A 10 PHE middle . . 11 A 11 ASN middle . . 12 A 12 ARG middle . . 13 A 13 PRO middle . false 14 A 14 MET middle . . 15 A 15 HIS middle . . 16 A 16 ILE middle . . 17 A 17 HIS middle . . 18 A 18 ASP middle . . 19 A 19 TRP middle . . 20 A 20 GLN middle . . 21 A 21 ILE middle . . 22 A 22 MET middle . . 23 A 23 ASP middle . . 24 A 24 SER middle . . 25 A 25 GLY middle . false 26 A 26 TYR middle . . 27 A 27 TYR middle . . 28 A 28 GLY end . false 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 GLY H1 H 1 7.834 0.000 A 1 GLY HAy H 1 4.033 0.000 A 1 GLY HAx H 1 3.817 0.000 A 2 GLY H H 1 8.545 0.000 A 2 GLY HAx H 1 3.719 0.000 A 2 GLY HAy H 1 4.407 0.000 A 3 ASP H H 1 8.635 0.000 A 3 ASP HA H 1 5.043 0.000 A 3 ASP HBy H 1 2.742 0.000 A 3 ASP HBx H 1 2.639 0.000 A 4 GLY H H 1 8.033 0.000 A 4 GLY HAy H 1 3.959 0.000 A 4 GLY HAx H 1 3.623 0.000 A 5 SER H H 1 7.208 0.000 A 5 SER HA H 1 4.287 0.000 A 5 SER HBy H 1 3.676 0.000 A 5 SER HBx H 1 3.615 0.000 A 6 ILE H H 1 8.609 0.000 A 6 ILE HA H 1 4.131 0.000 A 6 ILE HB H 1 0.824 0.000 A 6 ILE HD1% H 1 0.506 0.000 A 6 ILE HG1y H 1 1.243 0.000 A 6 ILE HG1x H 1 0.694 0.000 A 6 ILE HG2% H 1 0.768 0.000 A 7 ALA H H 1 8.692 0.000 A 7 ALA HA H 1 3.730 0.000 A 7 ALA HB% H 1 1.074 0.000 A 8 GLU H H 1 7.974 0.000 A 8 GLU HA H 1 3.904 0.000 A 8 GLU HBy H 1 1.598 0.000 A 8 GLU HBx H 1 1.447 0.000 A 8 GLU HGy H 1 1.935 0.000 A 8 GLU HGx H 1 1.815 0.000 A 9 TYR H H 1 7.773 0.000 A 9 TYR HA H 1 4.336 0.000 A 9 TYR HBy H 1 2.775 0.000 A 9 TYR HBx H 1 2.683 0.000 A 9 TYR HDx H 1 6.783 0.000 A 9 TYR HDy H 1 6.783 0.000 A 9 TYR HEx H 1 6.590 0.000 A 9 TYR HEy H 1 6.590 0.000 A 10 PHE H H 1 7.743 0.000 A 10 PHE HA H 1 4.366 0.000 A 10 PHE HBy H 1 2.936 0.000 A 10 PHE HBx H 1 2.786 0.000 A 10 PHE HDx H 1 7.024 0.000 A 10 PHE HDy H 1 7.024 0.000 A 10 PHE HEx H 1 7.138 0.000 A 10 PHE HEy H 1 7.138 0.000 A 10 PHE HZ H 1 7.065 0.000 A 11 ASN H H 1 8.125 0.000 A 11 ASN HA H 1 4.459 0.000 A 11 ASN HBy H 1 2.604 0.000 A 11 ASN HBx H 1 2.460 0.000 A 11 ASN HD2y H 1 7.310 0.000 A 11 ASN HD2x H 1 6.661 0.000 A 12 ARG H H 1 7.818 0.000 A 12 ARG HA H 1 4.328 0.000 A 12 ARG HBy H 1 1.604 0.000 A 12 ARG HBx H 1 1.486 0.000 A 12 ARG HDx H 1 2.921 0.000 A 12 ARG HDy H 1 2.921 0.000 A 12 ARG HE H 1 6.954 0.000 A 12 ARG HGx H 1 1.376 0.000 A 12 ARG HGy H 1 1.376 0.000 A 13 PRO HA H 1 4.168 0.000 A 13 PRO HBy H 1 2.041 0.000 A 13 PRO HBx H 1 1.645 0.000 A 13 PRO HDy H 1 3.538 0.000 A 13 PRO HDx H 1 3.359 0.000 A 13 PRO HGy H 1 1.833 0.000 A 13 PRO HGx H 1 1.776 0.000 A 14 MET H H 1 8.083 0.000 A 14 MET HA H 1 4.169 0.000 A 14 MET HBx H 1 1.711 0.000 A 14 MET HBy H 1 1.711 0.000 A 14 MET HGy H 1 2.318 0.000 A 14 MET HGx H 1 2.233 0.000 A 15 HIS H H 1 8.288 0.000 A 15 HIS HA H 1 4.484 0.000 A 15 HIS HBy H 1 3.093 0.000 A 15 HIS HBx H 1 2.979 0.000 A 15 HIS HD2 H 1 7.045 0.000 A 16 ILE H H 1 7.762 0.000 A 16 ILE HA H 1 3.974 0.000 A 16 ILE HB H 1 1.614 0.000 A 16 ILE HD1% H 1 0.647 0.000 A 16 ILE HG1y H 1 1.124 0.000 A 16 ILE HG1x H 1 0.900 0.000 A 16 ILE HG2% H 1 0.626 0.000 A 17 HIS H H 1 8.460 0.000 A 17 HIS HA H 1 4.427 0.000 A 17 HIS HBx H 1 2.862 0.000 A 17 HIS HBy H 1 2.862 0.000 A 17 HIS HD2 H 1 7.066 0.000 A 18 ASP H H 1 8.320 0.000 A 18 ASP HA H 1 4.466 0.000 A 18 ASP HBy H 1 2.764 0.000 A 18 ASP HBx H 1 2.642 0.000 A 19 TRP H H 1 7.809 0.000 A 19 TRP HA H 1 4.390 0.000 A 19 TRP HBx H 1 3.146 0.000 A 19 TRP HBy H 1 3.146 0.000 A 19 TRP HD1 H 1 7.123 0.000 A 19 TRP HE1 H 1 10.002 0.000 A 19 TRP HE3 H 1 7.371 0.000 A 19 TRP HH2 H 1 7.010 0.000 A 19 TRP HZ2 H 1 7.219 0.000 A 19 TRP HZ3 H 1 6.955 0.000 A 20 GLN H H 1 7.811 0.000 A 20 GLN HA H 1 3.983 0.000 A 20 GLN HBx H 1 1.611 0.000 A 20 GLN HBy H 1 1.731 0.000 A 20 GLN HGy H 1 1.908 0.000 A 20 GLN HGx H 1 1.694 0.000 A 21 ILE H H 1 7.689 0.000 A 21 ILE HA H 1 3.897 0.000 A 21 ILE HB H 1 1.657 0.000 A 21 ILE HD1% H 1 0.685 0.000 A 21 ILE HG1y H 1 1.260 0.000 A 21 ILE HG1x H 1 0.963 0.000 A 21 ILE HG2% H 1 0.700 0.000 A 22 MET H H 1 8.090 0.000 A 22 MET HA H 1 4.338 0.000 A 22 MET HBy H 1 1.903 0.000 A 22 MET HBx H 1 1.812 0.000 A 22 MET HGy H 1 2.394 0.000 A 22 MET HGx H 1 2.326 0.000 A 23 ASP H H 1 8.213 0.000 A 23 ASP HA H 1 4.629 0.000 A 23 ASP HBy H 1 2.709 0.000 A 23 ASP HBx H 1 2.614 0.000 A 24 SER H H 1 7.913 0.000 A 24 SER HA H 1 4.344 0.000 A 24 SER HBy H 1 3.730 0.000 A 24 SER HBx H 1 3.641 0.000 A 25 GLY H H 1 7.896 0.000 A 25 GLY HAy H 1 3.837 0.000 A 25 GLY HAx H 1 3.726 0.000 A 26 TYR H H 1 8.406 0.000 A 26 TYR HA H 1 5.241 0.000 A 26 TYR HBx H 1 2.332 0.000 A 26 TYR HBy H 1 2.332 0.000 A 26 TYR HDx H 1 6.652 0.000 A 26 TYR HDy H 1 6.652 0.000 A 26 TYR HEx H 1 7.234 0.000 A 26 TYR HEy H 1 7.234 0.000 A 27 TYR H H 1 9.512 0.000 A 27 TYR HA H 1 4.835 0.000 A 27 TYR HBx H 1 2.971 0.000 A 27 TYR HBy H 1 2.971 0.000 A 27 TYR HDx H 1 6.832 0.000 A 27 TYR HDy H 1 6.832 0.000 A 27 TYR HEx H 1 6.638 0.000 A 27 TYR HEy H 1 6.638 0.000 A 28 GLY H H 1 8.527 0.000 A 28 GLY HAy H 1 3.837 0.000 A 28 GLY HAx H 1 3.728 0.000 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-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 GLY H A 27 TYR H 1.0 . 5.50 2 2 A 27 TYR H A 28 GLY H 1.0 . 5.50 3 3 A 27 TYR H A 5 SER H 1.0 . 5.39 4 4 A 27 TYR H A 4 GLY HAy 1.0 . 4.97 5 5 A 27 TYR H A 6 ILE H 1.0 . 3.36 6 6 A 27 TYR H A 27 TYR HD% 1.0 . 3.52 7 7 A 27 TYR H A 26 TYR HD% 1.0 . 4.70 8 8 A 27 TYR H A 27 TYR HE% 1.0 . 5.14 9 9 A 27 TYR H A 26 TYR HA 1.0 . 3.01 10 10 A 27 TYR H A 7 ALA HA 1.0 . 5.50 11 11 A 27 TYR H A 27 TYR HBx 1.0 . 3.78 12 11 A 27 TYR H A 27 TYR HBy 1.0 . 3.78 13 12 A 27 TYR H A 26 TYR HBx 1.0 . 2.98 14 12 A 27 TYR H A 26 TYR HBy 1.0 . 2.98 15 13 A 27 TYR H A 8 GLU HGx 1.0 . 4.72 16 14 A 27 TYR H A 6 ILE HB 1.0 . 4.19 17 15 A 27 TYR H A 8 GLU H 1.0 . 5.50 18 16 A 27 TYR H A 6 ILE HG2% 1.0 . 4.96 19 17 A 27 TYR HE% A 7 ALA H 1.0 . 3.74 20 18 A 7 ALA H A 6 ILE HA 1.0 . 2.69 21 19 A 7 ALA H A 7 ALA HB% 1.0 . 2.80 22 20 A 6 ILE HB A 7 ALA H 1.0 . 4.66 23 21 A 6 ILE HG2% A 7 ALA H 1.0 . 3.21 24 22 A 7 ALA H A 6 ILE HG1x 1.0 . 5.33 25 23 A 7 ALA H A 6 ILE HD1% 1.0 . 5.40 26 24 A 3 ASP H A 4 GLY H 1.0 . 5.47 27 25 A 3 ASP H A 3 ASP HBy 1.0 . 3.91 28 26 A 3 ASP H A 3 ASP HBx 1.0 . 3.91 29 27 A 3 ASP H A 2 GLY HAx 1.0 . 2.85 30 28 A 6 ILE H A 4 GLY HAx 1.0 . 4.37 31 29 A 5 SER H A 6 ILE H 1.0 . 2.91 32 30 A 26 TYR HD% A 3 ASP H 1.0 . 3.95 33 31 A 26 TYR HA A 3 ASP H 1.0 . 5.50 34 32 A 6 ILE H A 26 TYR HA 1.0 . 5.50 35 33 A 4 GLY HAy A 6 ILE H 1.0 . 4.30 36 34 A 3 ASP H A 26 TYR HBx 1.0 . 3.86 37 34 A 26 TYR HBy A 3 ASP H 1.0 . 3.86 38 35 A 6 ILE H A 26 TYR HBx 1.0 . 4.19 39 35 A 6 ILE H A 26 TYR HBy 1.0 . 4.19 40 36 A 6 ILE H A 6 ILE HG1y 1.0 . 3.46 41 37 A 6 ILE H A 6 ILE HB 1.0 . 3.17 42 38 A 6 ILE H A 6 ILE HG2% 1.0 . 4.07 43 39 A 6 ILE H A 6 ILE HG1x 1.0 . 3.88 44 40 A 6 ILE H A 6 ILE HD1% 1.0 . 4.42 45 41 A 2 GLY H A 26 TYR H 1.0 . 2.96 46 42 A 2 GLY H A 25 GLY H 1.0 . 5.50 47 43 A 2 GLY H A 1 GLY H1 1.0 . 4.16 48 44 A 2 GLY H A 26 TYR HBx 1.0 . 5.50 49 44 A 2 GLY H A 26 TYR HBy 1.0 . 5.50 50 45 A 2 GLY H A 8 GLU HGy 1.0 . 5.50 51 46 A 2 GLY H A 8 GLU HGx 1.0 . 4.98 52 47 A 2 GLY H A 26 TYR HD% 1.0 . 4.84 53 48 A 28 GLY H A 4 GLY HAx 1.0 . 4.99 54 49 A 28 GLY H A 27 TYR HD% 1.0 . 3.74 55 50 A 28 GLY H A 27 TYR HA 1.0 . 2.98 56 51 A 28 GLY H A 4 GLY HAy 1.0 . 5.50 57 52 A 28 GLY H A 27 TYR HBx 1.0 . 2.90 58 52 A 28 GLY H A 27 TYR HBy 1.0 . 2.90 59 53 A 16 ILE H A 17 HIS H 1.0 . 4.82 60 54 A 17 HIS H A 16 ILE HA 1.0 . 2.93 61 55 A 17 HIS H A 17 HIS HBx 1.0 . 3.21 62 55 A 17 HIS H A 17 HIS HBy 1.0 . 3.21 63 56 A 17 HIS H A 16 ILE HB 1.0 . 3.65 64 57 A 17 HIS H A 16 ILE HG2% 1.0 . 3.90 65 58 A 17 HIS H A 16 ILE HD1% 1.0 . 4.35 66 59 A 17 HIS H A 18 ASP H 1.0 . 3.48 67 60 A 17 HIS H A 17 HIS HD2 1.0 . 4.89 68 61 A 26 TYR H A 3 ASP HA 1.0 . 5.50 69 62 A 26 TYR H A 25 GLY H 1.0 . 3.99 70 63 A 26 TYR HD% A 26 TYR H 1.0 . 3.42 71 64 A 2 GLY HAx A 26 TYR H 1.0 . 2.96 72 65 A 26 TYR H A 26 TYR HBx 1.0 . 3.15 73 65 A 26 TYR HBy A 26 TYR H 1.0 . 3.15 74 66 A 26 TYR H A 1 GLY H1 1.0 . 4.73 75 67 A 8 GLU HGx A 26 TYR H 1.0 . 5.50 76 68 A 26 TYR H A 2 GLY HAy 1.0 . 4.80 77 69 A 18 ASP H A 18 ASP HA 1.0 . 2.93 78 70 A 16 ILE HA A 18 ASP H 1.0 . 5.50 79 71 A 18 ASP H A 17 HIS HBx 1.0 . 3.93 80 71 A 17 HIS HBy A 18 ASP H 1.0 . 3.93 81 72 A 18 ASP H A 18 ASP HBy 1.0 . 3.77 82 73 A 18 ASP H A 18 ASP HBx 1.0 . 3.77 83 74 A 16 ILE HD1% A 18 ASP H 1.0 . 4.77 84 75 A 18 ASP H A 19 TRP H 1.0 . 3.63 85 76 A 14 MET H A 15 HIS H 1.0 . 4.04 86 77 A 16 ILE H A 15 HIS H 1.0 . 3.74 87 78 A 15 HIS H A 15 HIS HD2 1.0 . 5.50 88 79 A 15 HIS H A 14 MET HA 1.0 . 3.36 89 80 A 15 HIS H A 15 HIS HBy 1.0 . 4.11 90 81 A 15 HIS H A 15 HIS HBx 1.0 . 4.11 91 82 A 15 HIS H A 14 MET HBx 1.0 . 4.03 92 82 A 15 HIS H A 14 MET HBy 1.0 . 4.03 93 83 A 22 MET H A 23 ASP H 1.0 . 3.15 94 84 A 23 ASP H A 24 SER H 1.0 . 3.45 95 85 A 23 ASP H A 23 ASP HBy 1.0 . 3.81 96 86 A 23 ASP H A 23 ASP HBx 1.0 . 3.81 97 87 A 23 ASP H A 22 MET HBy 1.0 . 4.16 98 88 A 23 ASP H A 22 MET HBx 1.0 . 4.16 99 89 A 23 ASP H A 21 ILE HG2% 1.0 . 4.67 100 90 A 10 PHE HD% A 11 ASN H 1.0 . 5.38 101 91 A 11 ASN H A 11 ASN HBx 1.0 . 3.94 102 92 A 11 ASN H A 12 ARG H 1.0 . 3.51 103 93 A 11 ASN H A 10 PHE H 1.0 . 3.77 104 94 A 11 ASN H A 10 PHE HBy 1.0 . 4.23 105 95 A 11 ASN H A 10 PHE HBx 1.0 . 4.23 106 96 A 11 ASN H A 11 ASN HBy 1.0 . 3.94 107 97 A 14 MET H A 15 HIS HA 1.0 . 5.04 108 98 A 22 MET H A 21 ILE H 1.0 . 4.26 109 99 A 22 MET H A 20 GLN HA 1.0 . 5.50 110 100 A 22 MET H A 21 ILE HA 1.0 . 2.98 111 101 A 22 MET H A 22 MET HBy 1.0 . 3.68 112 102 A 22 MET H A 22 MET HBx 1.0 . 3.68 113 103 A 22 MET H A 21 ILE HG2% 1.0 . 3.68 114 104 A 14 MET H A 13 PRO HA 1.0 . 2.92 115 105 A 14 MET H A 14 MET HBx 1.0 . 3.11 116 105 A 14 MET H A 14 MET HBy 1.0 . 3.11 117 106 A 5 SER H A 4 GLY H 1.0 . 5.50 118 107 A 4 GLY H A 26 TYR HE% 1.0 . 5.50 119 108 A 26 TYR HD% A 4 GLY H 1.0 . 4.17 120 109 A 4 GLY H A 3 ASP HA 1.0 . 2.88 121 110 A 4 GLY H A 26 TYR HBx 1.0 . 3.21 122 110 A 26 TYR HBy A 4 GLY H 1.0 . 3.21 123 111 A 4 GLY H A 2 GLY HAx 1.0 . 5.35 124 112 A 27 TYR HD% A 8 GLU H 1.0 . 5.50 125 113 A 26 TYR HA A 8 GLU H 1.0 . 3.20 126 114 A 7 ALA HA A 8 GLU H 1.0 . 2.70 127 115 A 8 GLU H A 26 TYR HBx 1.0 . 5.50 128 115 A 26 TYR HBy A 8 GLU H 1.0 . 5.50 129 116 A 8 GLU H A 8 GLU HGy 1.0 . 4.25 130 117 A 8 GLU HGx A 8 GLU H 1.0 . 3.73 131 118 A 8 GLU H A 8 GLU HBy 1.0 . 3.24 132 119 A 8 GLU H A 8 GLU HBx 1.0 . 3.97 133 120 A 8 GLU H A 7 ALA HB% 1.0 . 3.52 134 121 A 8 GLU H A 9 TYR H 1.0 . 3.59 135 122 A 26 TYR HD% A 8 GLU H 1.0 . 4.71 136 123 A 27 TYR HE% A 8 GLU H 1.0 . 4.95 137 124 A 24 SER H A 23 ASP HA 1.0 . 3.10 138 125 A 24 SER H A 23 ASP HBy 1.0 . 4.67 139 126 A 24 SER H A 23 ASP HBx 1.0 . 4.67 140 127 A 25 GLY H A 2 GLY HAy 1.0 . 5.37 141 128 A 26 TYR HD% A 25 GLY H 1.0 . 4.22 142 129 A 2 GLY HAx A 25 GLY H 1.0 . 3.09 143 130 A 25 GLY H A 24 SER HA 1.0 . 3.46 144 131 A 25 GLY H A 8 GLU HBy 1.0 . 5.24 145 132 A 1 GLY H1 A 25 GLY HAy 1.0 . 3.63 146 133 A 1 GLY H1 A 25 GLY HAx 1.0 . 3.63 147 134 A 1 GLY H1 A 8 GLU HA 1.0 . 4.91 148 135 A 8 GLU HGx A 1 GLY H1 1.0 . 3.64 149 136 A 1 GLY H1 A 27 TYR HBx 1.0 . 4.90 150 136 A 27 TYR HBy A 1 GLY H1 1.0 . 4.90 151 137 A 12 ARG H A 13 PRO HDy 1.0 . 5.50 152 138 A 12 ARG H A 13 PRO HDx 1.0 . 5.50 153 139 A 12 ARG H A 12 ARG HDx 1.0 . 4.88 154 139 A 12 ARG H A 12 ARG HDy 1.0 . 4.88 155 140 A 12 ARG H A 11 ASN HBy 1.0 . 4.99 156 141 A 12 ARG H A 11 ASN HBx 1.0 . 4.99 157 142 A 1 GLY H1 A 8 GLU HBy 1.0 . 3.06 158 143 A 20 GLN H A 20 GLN HBx 1.0 . 3.38 159 144 A 1 GLY H1 A 8 GLU HBx 1.0 . 3.68 160 145 A 12 ARG H A 12 ARG HGx 1.0 . 3.64 161 145 A 12 ARG H A 12 ARG HGy 1.0 . 3.64 162 146 A 26 TYR HD% A 1 GLY H1 1.0 . 5.50 163 147 A 19 TRP H A 21 ILE HD1% 1.0 . 5.50 164 148 A 20 GLN H A 21 ILE HD1% 1.0 . 5.50 165 149 A 20 GLN H A 20 GLN HBy 1.0 . 3.97 166 150 A 20 GLN H A 20 GLN HGx 1.0 . 4.32 167 151 A 1 GLY H1 A 8 GLU HGy 1.0 . 3.94 168 152 A 20 GLN H A 20 GLN HGy 1.0 . 4.32 169 153 A 16 ILE HD1% A 19 TRP H 1.0 . 4.67 170 154 A 19 TRP H A 19 TRP HE3 1.0 . 5.50 171 155 A 20 GLN H A 19 TRP HE3 1.0 . 5.50 172 156 A 19 TRP H A 19 TRP HD1 1.0 . 3.83 173 157 A 19 TRP H A 19 TRP HBx 1.0 . 2.96 174 157 A 19 TRP H A 19 TRP HBy 1.0 . 2.96 175 158 A 19 TRP H A 17 HIS HBx 1.0 . 4.88 176 158 A 17 HIS HBy A 19 TRP H 1.0 . 4.88 177 159 A 9 TYR H A 9 TYR HD% 1.0 . 4.01 178 160 A 7 ALA HA A 9 TYR H 1.0 . 5.50 179 161 A 8 GLU HGy A 9 TYR H 1.0 . 5.50 180 162 A 8 GLU HBx A 9 TYR H 1.0 . 3.87 181 163 A 8 GLU HGx A 9 TYR H 1.0 . 5.50 182 164 A 7 ALA HB% A 9 TYR H 1.0 . 4.17 183 165 A 7 ALA HB% A 10 PHE H 1.0 . 4.48 184 166 A 16 ILE H A 19 TRP HD1 1.0 . 5.50 185 167 A 16 ILE H A 19 TRP HBx 1.0 . 4.34 186 167 A 16 ILE H A 19 TRP HBy 1.0 . 4.34 187 168 A 16 ILE H A 14 MET HBx 1.0 . 4.61 188 168 A 16 ILE H A 14 MET HBy 1.0 . 4.61 189 169 A 16 ILE H A 15 HIS HA 1.0 . 3.05 190 170 A 8 GLU HBy A 9 TYR H 1.0 . 3.47 191 171 A 16 ILE H A 16 ILE HG1y 1.0 . 4.05 192 172 A 16 ILE H A 16 ILE HG1x 1.0 . 4.05 193 173 A 16 ILE H A 16 ILE HG2% 1.0 . 3.99 194 174 A 16 ILE H A 16 ILE HD1% 1.0 . 4.18 195 175 A 16 ILE H A 14 MET HA 1.0 . 5.50 196 176 A 10 PHE HD% A 10 PHE H 1.0 . 4.39 197 177 A 10 PHE H A 8 GLU HA 1.0 . 4.78 198 178 A 10 PHE H A 10 PHE HBx 1.0 . 3.68 199 179 A 10 PHE H A 10 PHE HBy 1.0 . 3.68 200 180 A 21 ILE H A 20 GLN HBx 1.0 . 4.48 201 181 A 21 ILE H A 20 GLN HA 1.0 . 3.09 202 182 A 21 ILE H A 20 GLN HBy 1.0 . 4.52 203 183 A 21 ILE H A 21 ILE HB 1.0 . 3.26 204 184 A 21 ILE H A 21 ILE HD1% 1.0 . 3.88 205 185 A 21 ILE H A 22 MET HA 1.0 . 4.91 206 186 A 19 TRP HE3 A 19 TRP HA 1.0 . 4.89 207 187 A 20 GLN HA A 19 TRP HE3 1.0 . 5.29 208 188 A 19 TRP HE3 A 19 TRP HBx 1.0 . 3.27 209 188 A 19 TRP HE3 A 19 TRP HBy 1.0 . 3.27 210 189 A 16 ILE HD1% A 19 TRP HE3 1.0 . 5.50 211 190 A 19 TRP HZ2 A 20 GLN HGy 1.0 . 4.58 212 191 A 19 TRP HZ2 A 20 GLN HGx 1.0 . 4.58 213 192 A 5 SER H A 6 ILE HG1x 1.0 . 4.73 214 193 A 5 SER H A 6 ILE HG2% 1.0 . 5.50 215 194 A 5 SER H A 6 ILE HG1y 1.0 . 5.50 216 195 A 5 SER H A 4 GLY HAy 1.0 . 3.03 217 196 A 2 GLY HAx A 26 TYR HE% 1.0 . 5.50 218 197 A 5 SER H A 5 SER HBy 1.0 . 3.66 219 198 A 5 SER H A 4 GLY HAx 1.0 . 3.18 220 199 A 5 SER H A 5 SER HBx 1.0 . 3.66 221 200 A 5 SER H A 26 TYR HBx 1.0 . 4.78 222 200 A 5 SER H A 26 TYR HBy 1.0 . 4.78 223 201 A 7 ALA HB% A 10 PHE HE% 1.0 . 5.50 224 202 A 21 ILE HD1% A 19 TRP HD1 1.0 . 5.50 225 203 A 19 TRP HD1 A 19 TRP HA 1.0 . 4.04 226 204 A 16 ILE HB A 19 TRP HD1 1.0 . 5.50 227 205 A 20 GLN HBx A 19 TRP HD1 1.0 . 5.50 228 206 A 16 ILE HD1% A 19 TRP HD1 1.0 . 5.50 229 207 A 10 PHE HE% A 11 ASN HA 1.0 . 5.50 230 208 A 18 ASP HA A 19 TRP HD1 1.0 . 5.50 231 209 A 16 ILE HA A 19 TRP HD1 1.0 . 5.50 232 210 A 20 GLN HA A 19 TRP HD1 1.0 . 5.50 233 211 A 19 TRP HD1 A 19 TRP HBx 1.0 . 3.31 234 211 A 19 TRP HD1 A 19 TRP HBy 1.0 . 3.31 235 212 A 17 HIS HD2 A 17 HIS HA 1.0 . 4.67 236 213 A 17 HIS HD2 A 17 HIS HBx 1.0 . 3.76 237 213 A 17 HIS HBy A 17 HIS HD2 1.0 . 3.76 238 214 A 16 ILE HB A 17 HIS HD2 1.0 . 5.50 239 215 A 16 ILE HG2% A 17 HIS HD2 1.0 . 5.50 240 216 A 16 ILE HD1% A 17 HIS HD2 1.0 . 5.50 241 217 A 15 HIS HD2 A 14 MET HBx 1.0 . 5.35 242 217 A 15 HIS HD2 A 14 MET HBy 1.0 . 5.35 243 218 A 10 PHE HD% A 11 ASN HA 1.0 . 4.93 244 219 A 15 HIS HD2 A 15 HIS HA 1.0 . 5.14 245 220 A 10 PHE HD% A 10 PHE HA 1.0 . 3.28 246 221 A 7 ALA HB% A 10 PHE HD% 1.0 . 4.45 247 222 A 6 ILE HG2% A 10 PHE HD% 1.0 . 5.50 248 223 A 12 ARG HA A 12 ARG HE 1.0 . 5.50 249 224 A 12 ARG HE A 12 ARG HGx 1.0 . 3.72 250 224 A 12 ARG HGy A 12 ARG HE 1.0 . 3.72 251 225 A 27 TYR HD% A 26 TYR HA 1.0 . 4.82 252 226 A 27 TYR HD% A 27 TYR HA 1.0 . 3.92 253 227 A 27 TYR HD% A 7 ALA HA 1.0 . 4.99 254 228 A 27 TYR HD% A 8 GLU HGy 1.0 . 3.37 255 229 A 27 TYR HD% A 8 GLU HGx 1.0 . 3.59 256 230 A 27 TYR HD% A 8 GLU HBx 1.0 . 5.40 257 231 A 27 TYR HD% A 6 ILE HB 1.0 . 4.22 258 232 A 27 TYR HD% A 8 GLU HA 1.0 . 3.33 259 233 A 27 TYR HD% A 8 GLU HBy 1.0 . 5.50 260 234 A 27 TYR HD% A 6 ILE HG2% 1.0 . 4.03 261 235 A 27 TYR HD% A 6 ILE HD1% 1.0 . 4.69 262 236 A 9 TYR HD% A 9 TYR HA 1.0 . 4.02 263 237 A 9 TYR HD% A 10 PHE HA 1.0 . 4.42 264 238 A 7 ALA HB% A 9 TYR HD% 1.0 . 4.75 265 239 A 27 TYR HE% A 6 ILE HG1y 1.0 . 5.50 266 240 A 26 TYR HD% A 2 GLY HAx 1.0 . 2.81 267 241 A 26 TYR HD% A 4 GLY HAx 1.0 . 4.33 268 242 A 27 TYR HE% A 8 GLU HGx 1.0 . 5.08 269 243 A 26 TYR HD% A 24 SER HA 1.0 . 4.58 270 244 A 26 TYR HD% A 5 SER HA 1.0 . 4.59 271 245 A 26 TYR HD% A 6 ILE HA 1.0 . 5.27 272 246 A 27 TYR HE% A 6 ILE HA 1.0 . 5.50 273 247 A 26 TYR HD% A 8 GLU HBy 1.0 . 5.50 274 248 A 27 TYR HE% A 8 GLU HBy 1.0 . 5.50 275 249 A 4 GLY HAy A 26 TYR HD% 1.0 . 5.33 276 250 A 27 TYR HE% A 6 ILE HG1x 1.0 . 4.98 277 251 A 26 TYR HD% A 3 ASP HA 1.0 . 3.95 278 252 A 26 TYR HD% A 26 TYR HA 1.0 . 3.42 279 253 A 26 TYR HD% A 23 ASP HA 1.0 . 5.46 280 254 A 26 TYR HD% A 2 GLY HAy 1.0 . 5.48 281 255 A 26 TYR HD% A 27 TYR HA 1.0 . 5.50 282 256 A 27 TYR HE% A 8 GLU HA 1.0 . 3.35 283 257 A 27 TYR HE% A 8 GLU HGy 1.0 . 4.63 284 258 A 27 TYR HE% A 6 ILE HB 1.0 . 4.24 285 259 A 27 TYR HE% A 6 ILE HG2% 1.0 . 3.10 286 260 A 27 TYR HE% A 6 ILE HD1% 1.0 . 3.78 287 261 A 26 TYR HD% A 7 ALA HB% 1.0 . 4.79 288 262 A 27 TYR HE% A 7 ALA HB% 1.0 . 5.04 289 263 A 7 ALA HB% A 9 TYR HE% 1.0 . 5.27 290 264 A 26 TYR HA A 8 GLU HGx 1.0 . 3.74 291 265 A 26 TYR HA A 7 ALA HA 1.0 . 3.55 292 266 A 3 ASP HA A 26 TYR HBx 1.0 . 5.50 293 266 A 26 TYR HBy A 3 ASP HA 1.0 . 5.50 294 267 A 2 GLY HAx A 24 SER HA 1.0 . 3.97 295 268 A 12 ARG HA A 12 ARG HDx 1.0 . 5.50 296 268 A 12 ARG HDy A 12 ARG HA 1.0 . 5.50 297 269 A 12 ARG HA A 13 PRO HDy 1.0 . 3.96 298 270 A 12 ARG HA A 13 PRO HDx 1.0 . 3.96 299 271 A 6 ILE HG2% A 6 ILE HA 1.0 . 3.15 300 272 A 6 ILE HA A 6 ILE HG1y 1.0 . 4.11 301 273 A 6 ILE HA A 6 ILE HG1x 1.0 . 3.65 302 274 A 6 ILE HA A 6 ILE HD1% 1.0 . 4.45 303 275 A 6 ILE HA A 7 ALA HB% 1.0 . 4.19 304 276 A 20 GLN HA A 20 GLN HGy 1.0 . 4.22 305 277 A 20 GLN HA A 20 GLN HGx 1.0 . 4.22 306 278 A 4 GLY HAy A 6 ILE HG1x 1.0 . 5.50 307 279 A 20 GLN HA A 21 ILE HD1% 1.0 . 5.50 308 280 A 16 ILE HA A 16 ILE HG2% 1.0 . 3.18 309 281 A 4 GLY HAy A 26 TYR HBx 1.0 . 5.36 310 281 A 4 GLY HAy A 26 TYR HBy 1.0 . 5.36 311 282 A 8 GLU HGy A 8 GLU HA 1.0 . 3.39 312 283 A 8 GLU HGx A 8 GLU HA 1.0 . 3.67 313 284 A 21 ILE HG2% A 21 ILE HA 1.0 . 3.18 314 285 A 6 ILE HG1x A 28 GLY HAy 1.0 . 4.89 315 286 A 6 ILE HD1% A 28 GLY HAy 1.0 . 4.37 316 287 A 6 ILE HD1% A 28 GLY HAx 1.0 . 4.37 317 288 A 7 ALA HA A 6 ILE HG2% 1.0 . 4.38 318 289 A 6 ILE HG1x A 28 GLY HAx 1.0 . 4.89 319 290 A 2 GLY HAx A 26 TYR HBx 1.0 . 4.36 320 290 A 26 TYR HBy A 2 GLY HAx 1.0 . 4.36 321 291 A 7 ALA HA A 26 TYR HBx 1.0 . 4.93 322 291 A 7 ALA HA A 26 TYR HBy 1.0 . 4.93 323 292 A 7 ALA HA A 10 PHE HBy 1.0 . 5.50 324 293 A 2 GLY HAx A 3 ASP HBy 1.0 . 5.50 325 294 A 7 ALA HA A 10 PHE HBx 1.0 . 5.50 326 295 A 2 GLY HAx A 3 ASP HBx 1.0 . 5.50 327 296 A 6 ILE HG1y A 5 SER HBy 1.0 . 5.50 328 297 A 4 GLY HAx A 26 TYR HBx 1.0 . 4.97 329 297 A 26 TYR HBy A 4 GLY HAx 1.0 . 4.97 330 298 A 6 ILE HG1y A 5 SER HBx 1.0 . 5.50 331 299 A 6 ILE HG1x A 4 GLY HAx 1.0 . 5.50 332 300 A 6 ILE HD1% A 4 GLY HAx 1.0 . 5.50 333 301 A 12 ARG HBy A 13 PRO HDy 1.0 . 4.82 334 302 A 12 ARG HBx A 13 PRO HDy 1.0 . 4.82 335 303 A 12 ARG HBy A 13 PRO HDx 1.0 . 4.82 336 304 A 13 PRO HDx A 12 ARG HBx 1.0 . 4.82 337 305 A 16 ILE HD1% A 19 TRP HBx 1.0 . 4.18 338 305 A 16 ILE HD1% A 19 TRP HBy 1.0 . 4.18 339 306 A 16 ILE HB A 19 TRP HBx 1.0 . 5.50 340 306 A 16 ILE HB A 19 TRP HBy 1.0 . 5.50 341 307 A 20 GLN HBx A 19 TRP HBx 1.0 . 5.50 342 307 A 20 GLN HBx A 19 TRP HBy 1.0 . 5.50 343 308 A 8 GLU HBy A 27 TYR HBx 1.0 . 5.31 344 308 A 27 TYR HBy A 8 GLU HBy 1.0 . 5.31 345 309 A 8 GLU HGy A 27 TYR HBx 1.0 . 3.69 346 309 A 27 TYR HBy A 8 GLU HGy 1.0 . 3.69 347 310 A 8 GLU HGx A 27 TYR HBx 1.0 . 4.21 348 310 A 27 TYR HBy A 8 GLU HGx 1.0 . 4.21 349 311 A 12 ARG HDy A 12 ARG HBy 1.0 . 3.66 350 311 A 12 ARG HBy A 12 ARG HDx 1.0 . 3.66 351 312 A 12 ARG HDy A 12 ARG HBx 1.0 . 3.66 352 312 A 12 ARG HBx A 12 ARG HDx 1.0 . 3.66 353 313 A 16 ILE HB A 17 HIS HBx 1.0 . 5.41 354 313 A 17 HIS HBy A 16 ILE HB 1.0 . 5.41 355 314 A 16 ILE HG2% A 17 HIS HBx 1.0 . 5.50 356 314 A 17 HIS HBy A 16 ILE HG2% 1.0 . 5.50 357 315 A 16 ILE HD1% A 17 HIS HBx 1.0 . 5.50 358 315 A 17 HIS HBy A 16 ILE HD1% 1.0 . 5.50 359 316 A 6 ILE HG1x A 26 TYR HBx 1.0 . 4.63 360 316 A 26 TYR HBy A 6 ILE HG1x 1.0 . 4.63 361 317 A 21 ILE HG2% A 22 MET HBy 1.0 . 5.50 362 318 A 21 ILE HG2% A 22 MET HBx 1.0 . 5.50 363 319 A 21 ILE HD1% A 20 GLN HBy 1.0 . 4.79 364 320 A 16 ILE HG2% A 14 MET HBx 1.0 . 5.33 365 320 A 16 ILE HG2% A 14 MET HBy 1.0 . 5.33 366 321 A 16 ILE HD1% A 14 MET HBx 1.0 . 5.50 367 321 A 16 ILE HD1% A 14 MET HBy 1.0 . 5.50 368 322 A 21 ILE HD1% A 21 ILE HB 1.0 . 3.13 369 323 A 16 ILE HB A 16 ILE HD1% 1.0 . 3.24 370 324 A 6 ILE HG2% A 6 ILE HG1y 1.0 . 3.23 371 325 A 6 ILE HB A 7 ALA HB% 1.0 . 5.11 372 326 A 6 ILE HG2% A 7 ALA HB% 1.0 . 3.69 373 327 A 6 ILE HB A 6 ILE HD1% 1.0 . 3.24 374 328 A 6 ILE HG2% A 6 ILE HD1% 1.0 . 2.83 375 329 A 2 GLY H A 1 GLY HAy 1.0 . 2.90 376 329 A 2 GLY H A 1 GLY HAx 1.0 . 2.90 377 330 A 26 TYR H A 1 GLY HAy 1.0 . 3.93 378 330 A 26 TYR H A 1 GLY HAx 1.0 . 3.93 379 331 A 1 GLY HAy A 27 TYR HBx 1.0 . 5.34 380 331 A 1 GLY HAx A 27 TYR HBx 1.0 . 5.34 381 331 A 27 TYR HBy A 1 GLY HAy 1.0 . 5.34 382 331 A 27 TYR HBy A 1 GLY HAx 1.0 . 5.34 383 332 A 2 GLY HAx A 3 ASP HBy 1.0 . 4.84 384 332 A 2 GLY HAx A 3 ASP HBx 1.0 . 4.84 385 333 A 3 ASP H A 3 ASP HBy 1.0 . 3.20 386 333 A 3 ASP H A 3 ASP HBx 1.0 . 3.20 387 334 A 3 ASP HBx A 26 TYR HBx 1.0 . 5.34 388 334 A 3 ASP HBy A 26 TYR HBx 1.0 . 5.34 389 334 A 26 TYR HBy A 3 ASP HBy 1.0 . 5.34 390 334 A 26 TYR HBy A 3 ASP HBx 1.0 . 5.34 391 335 A 26 TYR HD% A 3 ASP HBy 1.0 . 5.34 392 335 A 26 TYR HD% A 3 ASP HBx 1.0 . 5.34 393 336 A 6 ILE H A 5 SER HBx 1.0 . 3.95 394 336 A 6 ILE H A 5 SER HBy 1.0 . 3.95 395 337 A 6 ILE HG1x A 5 SER HBx 1.0 . 5.34 396 337 A 6 ILE HG1x A 5 SER HBy 1.0 . 5.34 397 338 A 6 ILE HD1% A 5 SER HBx 1.0 . 5.34 398 338 A 6 ILE HD1% A 5 SER HBy 1.0 . 5.34 399 339 A 6 ILE HG2% A 10 PHE HBx 1.0 . 5.34 400 339 A 6 ILE HG2% A 10 PHE HBy 1.0 . 5.34 401 340 A 6 ILE HG1x A 28 GLY HAy 1.0 . 4.02 402 340 A 6 ILE HG1x A 28 GLY HAx 1.0 . 4.02 403 341 A 6 ILE HD1% A 28 GLY HAy 1.0 . 3.68 404 341 A 6 ILE HD1% A 28 GLY HAx 1.0 . 3.68 405 342 A 7 ALA HB% A 9 TYR HBy 1.0 . 5.34 406 342 A 7 ALA HB% A 9 TYR HBx 1.0 . 5.34 407 343 A 7 ALA HB% A 10 PHE HBx 1.0 . 5.34 408 343 A 7 ALA HB% A 10 PHE HBy 1.0 . 5.34 409 344 A 8 GLU HBy A 9 TYR HBy 1.0 . 5.34 410 344 A 8 GLU HBy A 9 TYR HBx 1.0 . 5.34 411 345 A 8 GLU HBy A 25 GLY HAy 1.0 . 3.93 412 345 A 8 GLU HBy A 25 GLY HAx 1.0 . 3.93 413 346 A 8 GLU HBx A 25 GLY HAy 1.0 . 5.34 414 346 A 8 GLU HBx A 25 GLY HAx 1.0 . 5.34 415 347 A 8 GLU HGy A 25 GLY HAy 1.0 . 5.34 416 347 A 8 GLU HGy A 25 GLY HAx 1.0 . 5.34 417 348 A 8 GLU HGx A 25 GLY HAy 1.0 . 4.04 418 348 A 8 GLU HGx A 25 GLY HAx 1.0 . 4.04 419 349 A 9 TYR H A 9 TYR HBy 1.0 . 3.30 420 349 A 9 TYR H A 9 TYR HBx 1.0 . 3.30 421 350 A 10 PHE H A 10 PHE HBx 1.0 . 2.95 422 350 A 10 PHE H A 10 PHE HBy 1.0 . 2.95 423 351 A 11 ASN H A 10 PHE HBx 1.0 . 3.70 424 351 A 11 ASN H A 10 PHE HBy 1.0 . 3.70 425 352 A 27 TYR HE% A 10 PHE HBx 1.0 . 5.34 426 352 A 27 TYR HE% A 10 PHE HBy 1.0 . 5.34 427 353 A 10 PHE HD% A 11 ASN HD2y 1.0 . 4.50 428 353 A 10 PHE HD% A 11 ASN HD2x 1.0 . 4.50 429 354 A 10 PHE HE% A 11 ASN HD2y 1.0 . 3.86 430 354 A 10 PHE HE% A 11 ASN HD2x 1.0 . 3.86 431 355 A 10 PHE HZ A 11 ASN HD2y 1.0 . 5.09 432 355 A 11 ASN HD2x A 10 PHE HZ 1.0 . 5.09 433 356 A 11 ASN H A 11 ASN HBx 1.0 . 3.45 434 356 A 11 ASN H A 11 ASN HBy 1.0 . 3.45 435 357 A 12 ARG H A 11 ASN HBx 1.0 . 4.20 436 357 A 12 ARG H A 11 ASN HBy 1.0 . 4.20 437 358 A 12 ARG H A 12 ARG HBx 1.0 . 3.59 438 358 A 12 ARG H A 12 ARG HBy 1.0 . 3.59 439 359 A 12 ARG H A 13 PRO HDy 1.0 . 4.66 440 359 A 12 ARG H A 13 PRO HDx 1.0 . 4.66 441 360 A 12 ARG HA A 13 PRO HDy 1.0 . 3.34 442 360 A 12 ARG HA A 13 PRO HDx 1.0 . 3.34 443 361 A 12 ARG HBy A 12 ARG HDx 1.0 . 3.17 444 361 A 12 ARG HBx A 12 ARG HDx 1.0 . 3.17 445 361 A 12 ARG HDy A 12 ARG HBx 1.0 . 3.17 446 361 A 12 ARG HDy A 12 ARG HBy 1.0 . 3.17 447 362 A 12 ARG HE A 12 ARG HBx 1.0 . 4.55 448 362 A 12 ARG HE A 12 ARG HBy 1.0 . 4.55 449 363 A 12 ARG HBy A 13 PRO HDy 1.0 . 3.20 450 363 A 12 ARG HBx A 13 PRO HDy 1.0 . 3.20 451 363 A 13 PRO HDx A 12 ARG HBx 1.0 . 3.20 452 363 A 12 ARG HBy A 13 PRO HDx 1.0 . 3.20 453 364 A 12 ARG HGy A 13 PRO HDy 1.0 . 4.54 454 364 A 13 PRO HDx A 12 ARG HGx 1.0 . 4.54 455 364 A 12 ARG HGy A 13 PRO HDx 1.0 . 4.54 456 364 A 12 ARG HGx A 13 PRO HDy 1.0 . 4.54 457 365 A 14 MET H A 13 PRO HBy 1.0 . 3.38 458 365 A 14 MET H A 13 PRO HBx 1.0 . 3.38 459 366 A 15 HIS H A 13 PRO HBy 1.0 . 5.29 460 366 A 15 HIS H A 13 PRO HBx 1.0 . 5.29 461 367 A 14 MET H A 14 MET HGy 1.0 . 3.55 462 367 A 14 MET H A 14 MET HGx 1.0 . 3.55 463 368 A 15 HIS H A 15 HIS HBx 1.0 . 3.34 464 368 A 15 HIS H A 15 HIS HBy 1.0 . 3.34 465 369 A 16 ILE H A 15 HIS HBx 1.0 . 4.47 466 369 A 16 ILE H A 15 HIS HBy 1.0 . 4.47 467 370 A 16 ILE H A 16 ILE HG1x 1.0 . 3.46 468 370 A 16 ILE H A 16 ILE HG1y 1.0 . 3.46 469 371 A 17 HIS H A 16 ILE HG1x 1.0 . 5.34 470 371 A 17 HIS H A 16 ILE HG1y 1.0 . 5.34 471 372 A 18 ASP H A 18 ASP HBy 1.0 . 3.29 472 372 A 18 ASP H A 18 ASP HBx 1.0 . 3.29 473 373 A 19 TRP H A 18 ASP HBy 1.0 . 4.26 474 373 A 19 TRP H A 18 ASP HBx 1.0 . 4.26 475 374 A 21 ILE HD1% A 18 ASP HBy 1.0 . 4.43 476 374 A 21 ILE HD1% A 18 ASP HBx 1.0 . 4.43 477 375 A 19 TRP HBy A 20 GLN HGy 1.0 . 5.34 478 375 A 19 TRP HBx A 20 GLN HGy 1.0 . 5.34 479 375 A 20 GLN HGx A 19 TRP HBx 1.0 . 5.34 480 375 A 19 TRP HBy A 20 GLN HGx 1.0 . 5.34 481 376 A 19 TRP HD1 A 20 GLN HGy 1.0 . 5.34 482 376 A 19 TRP HD1 A 20 GLN HGx 1.0 . 5.34 483 377 A 19 TRP HZ2 A 20 GLN HGy 1.0 . 3.98 484 377 A 19 TRP HZ2 A 20 GLN HGx 1.0 . 3.98 485 378 A 20 GLN H A 20 GLN HGy 1.0 . 3.77 486 378 A 20 GLN H A 20 GLN HGx 1.0 . 3.77 487 379 A 20 GLN HA A 20 GLN HGy 1.0 . 3.49 488 379 A 20 GLN HA A 20 GLN HGx 1.0 . 3.49 489 380 A 20 GLN HBx A 21 ILE HG1y 1.0 . 4.73 490 380 A 20 GLN HBx A 21 ILE HG1x 1.0 . 4.73 491 381 A 21 ILE H A 20 GLN HGy 1.0 . 5.34 492 381 A 21 ILE H A 20 GLN HGx 1.0 . 5.34 493 382 A 21 ILE HD1% A 20 GLN HGy 1.0 . 5.34 494 382 A 21 ILE HD1% A 20 GLN HGx 1.0 . 5.34 495 383 A 21 ILE H A 21 ILE HG1y 1.0 . 3.74 496 383 A 21 ILE H A 21 ILE HG1x 1.0 . 3.74 497 384 A 21 ILE HA A 21 ILE HG1y 1.0 . 3.68 498 384 A 21 ILE HA A 21 ILE HG1x 1.0 . 3.68 499 385 A 21 ILE HG2% A 21 ILE HG1y 1.0 . 3.05 500 385 A 21 ILE HG2% A 21 ILE HG1x 1.0 . 3.05 501 386 A 21 ILE HG2% A 22 MET HBx 1.0 . 4.74 502 386 A 21 ILE HG2% A 22 MET HBy 1.0 . 4.74 503 387 A 21 ILE HG2% A 22 MET HGy 1.0 . 5.34 504 387 A 21 ILE HG2% A 22 MET HGx 1.0 . 5.34 505 388 A 21 ILE HG2% A 23 ASP HBy 1.0 . 4.62 506 388 A 21 ILE HG2% A 23 ASP HBx 1.0 . 4.62 507 389 A 21 ILE HG2% A 24 SER HBy 1.0 . 5.34 508 389 A 21 ILE HG2% A 24 SER HBx 1.0 . 5.34 509 390 A 22 MET H A 22 MET HBx 1.0 . 3.05 510 390 A 22 MET H A 22 MET HBy 1.0 . 3.05 511 391 A 22 MET H A 22 MET HGy 1.0 . 4.53 512 391 A 22 MET H A 22 MET HGx 1.0 . 4.53 513 392 A 23 ASP H A 22 MET HBx 1.0 . 3.61 514 392 A 23 ASP H A 22 MET HBy 1.0 . 3.61 515 393 A 22 MET HBy A 23 ASP HBy 1.0 . 4.76 516 393 A 23 ASP HBx A 22 MET HBx 1.0 . 4.76 517 393 A 22 MET HBy A 23 ASP HBx 1.0 . 4.76 518 393 A 22 MET HBx A 23 ASP HBy 1.0 . 4.76 519 394 A 23 ASP H A 23 ASP HBy 1.0 . 3.26 520 394 A 23 ASP H A 23 ASP HBx 1.0 . 3.26 521 395 A 24 SER H A 23 ASP HBy 1.0 . 4.11 522 395 A 24 SER H A 23 ASP HBx 1.0 . 4.11 523 396 A 26 TYR HD% A 25 GLY HAy 1.0 . 4.88 524 396 A 26 TYR HD% A 25 GLY HAx 1.0 . 4.88 525 397 A 27 TYR H A 28 GLY HAy 1.0 . 5.34 526 397 A 27 TYR H A 28 GLY HAx 1.0 . 5.34 527 398 A 27 TYR HBy A 28 GLY HAy 1.0 . 4.62 528 398 A 27 TYR HBx A 28 GLY HAy 1.0 . 4.62 529 398 A 28 GLY HAx A 27 TYR HBx 1.0 . 4.62 530 398 A 27 TYR HBy A 28 GLY HAx 1.0 . 4.62 531 399 A 27 TYR HD% A 28 GLY HAy 1.0 . 4.13 532 399 A 27 TYR HD% A 28 GLY HAx 1.0 . 4.13 533 400 A 27 TYR HE% A 28 GLY HAy 1.0 . 5.25 534 400 A 27 TYR HE% A 28 GLY HAx 1.0 . 5.25 stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 2 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm . . 12.015 . . . . 2 ppm . . 12.015 . . . . stop_ save_