data_nef_c26001_2nc2 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 2NC2 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 6 CYS SG 1 34 CYS SG 1 13 CYS SG 1 41 CYS SG 1 26 CYS SG 1 52 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 LYS start . . 2 A 2 PHE middle . . 3 A 3 GLY middle . false 4 A 4 GLY middle . false 5 A 5 GLU middle . . 6 A 6 CYS middle -HG . 7 A 7 SER middle . . 8 A 8 LEU middle . . 9 A 9 LYS middle . . 10 A 10 HIS middle . . 11 A 11 ASN middle . . 12 A 12 THR middle . . 13 A 13 CYS middle -HG . 14 A 14 THR middle . . 15 A 15 TYR middle . . 16 A 16 LEU middle . . 17 A 17 LYS middle . . 18 A 18 GLY middle . false 19 A 19 GLY middle . false 20 A 20 LYS middle . . 21 A 21 ASN middle . . 22 A 22 HIS middle . . 23 A 23 VAL middle . . 24 A 24 VAL middle . . 25 A 25 ASN middle . . 26 A 26 CYS middle -HG . 27 A 27 GLY middle . false 28 A 28 SER middle . . 29 A 29 ALA middle . . 30 A 30 ALA middle . . 31 A 31 ASN middle . . 32 A 32 LYS middle . . 33 A 33 LYS middle . . 34 A 34 CYS middle -HG . 35 A 35 LYS middle . . 36 A 36 SER middle . . 37 A 37 ASP middle . . 38 A 38 ARG middle . . 39 A 39 HIS middle . . 40 A 40 HIS middle . . 41 A 41 CYS middle -HG . 42 A 42 GLU middle . . 43 A 43 TYR middle . . 44 A 44 ASP middle . . 45 A 45 GLU middle . . 46 A 46 HIS middle . . 47 A 47 HIS middle . . 48 A 48 LYS middle . . 49 A 49 ARG middle . . 50 A 50 VAL middle . . 51 A 51 ASP middle . . 52 A 52 CYS middle -HG . 53 A 53 GLN middle . . 54 A 54 THR middle . . 55 A 55 PRO middle . false 56 A 56 VAL end . . 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 2 PHE H H 1 8.7 0.02 A 2 PHE HA H 1 4.852 0.02 A 2 PHE HBy H 1 3.132 0.02 A 2 PHE HBx H 1 2.252 0.02 A 2 PHE HD1 H 1 7.227 0.02 A 2 PHE HD2 H 1 7.227 0.02 A 2 PHE HE1 H 1 7.165 0.02 A 2 PHE HE2 H 1 7.165 0.02 A 2 PHE C C 13 174.926 0.3 A 2 PHE CA C 13 57.092 0.3 A 2 PHE CB C 13 42.335 0.3 A 2 PHE N N 15 120.327 0.3 A 3 GLY H H 1 8.913 0.02 A 3 GLY HAy H 1 4.85 0.02 A 3 GLY HAx H 1 3.892 0.02 A 3 GLY C C 13 173.443 0.3 A 3 GLY CA C 13 44.114 0.3 A 3 GLY N N 15 110.104 0.3 A 4 GLY H H 1 8.32 0.02 A 4 GLY HAy H 1 4.407 0.02 A 4 GLY HAx H 1 4.266 0.02 A 4 GLY C C 13 173.779 0.3 A 4 GLY CA C 13 45.746 0.3 A 4 GLY N N 15 109.968 0.3 A 5 GLU H H 1 7.94 0.02 A 5 GLU HA H 1 5.056 0.02 A 5 GLU HBy H 1 1.761 0.02 A 5 GLU HBx H 1 1.671 0.02 A 5 GLU HGy H 1 2.201 0.02 A 5 GLU HGx H 1 2.113 0.02 A 5 GLU C C 13 176.718 0.3 A 5 GLU CA C 13 54.154 0.3 A 5 GLU CB C 13 33.486 0.3 A 5 GLU CG C 13 36.01 0.3 A 5 GLU N N 15 119.495 0.3 A 6 CYS H H 1 9.551 0.02 A 6 CYS HA H 1 6.28 0.02 A 6 CYS HBy H 1 3.573 0.02 A 6 CYS HBx H 1 2.866 0.02 A 6 CYS C C 13 172.128 0.3 A 6 CYS CA C 13 53.015 0.3 A 6 CYS CB C 13 42.825 0.3 A 6 CYS N N 15 122.696 0.3 A 7 SER H H 1 8.587 0.02 A 7 SER HA H 1 5.07 0.02 A 7 SER HBy H 1 4.003 0.02 A 7 SER HBx H 1 3.813 0.02 A 7 SER C C 13 175.695 0.3 A 7 SER CA C 13 54.402 0.3 A 7 SER CB C 13 64.365 0.3 A 7 SER N N 15 115.277 0.3 A 8 LEU H H 1 9.017 0.02 A 8 LEU HA H 1 3.645 0.02 A 8 LEU HBy H 1 1.661 0.02 A 8 LEU HBx H 1 1.056 0.02 A 8 LEU HDx% H 1 0.8 0.02 A 8 LEU HDy% H 1 0.641 0.02 A 8 LEU HG H 1 1.377 0.02 A 8 LEU CA C 13 57.751 0.3 A 8 LEU CB C 13 43.105 0.3 A 8 LEU CD1 C 13 23.736 0.3 A 8 LEU CD2 C 13 23.736 0.3 A 8 LEU CG C 13 25.886 0.3 A 8 LEU N N 15 133.387 0.3 A 9 LYS H H 1 8.41 0.02 A 9 LYS HA H 1 3.762 0.02 A 9 LYS HBy H 1 1.496 0.02 A 9 LYS HBx H 1 1.087 0.02 A 9 LYS HD2 H 1 1.406 0.02 A 9 LYS HD3 H 1 1.406 0.02 A 9 LYS HE2 H 1 2.756 0.02 A 9 LYS HE3 H 1 2.756 0.02 A 9 LYS HGy H 1 0.943 0.02 A 9 LYS HGx H 1 0.714 0.02 A 9 LYS C C 13 177.886 0.3 A 9 LYS CA C 13 58.84 0.3 A 9 LYS CB C 13 32.614 0.3 A 9 LYS CD C 13 29.024 0.3 A 9 LYS CE C 13 41.867 0.3 A 9 LYS CG C 13 24.259 0.3 A 9 LYS N N 15 117.81 0.3 A 10 HIS H H 1 7.551 0.02 A 10 HIS HA H 1 4.618 0.02 A 10 HIS HBy H 1 3.178 0.02 A 10 HIS HBx H 1 2.756 0.02 A 10 HIS HD2 H 1 6.976 0.02 A 10 HIS C C 13 174.926 0.3 A 10 HIS CA C 13 55.483 0.3 A 10 HIS CB C 13 31.076 0.3 A 10 HIS N N 15 112.191 0.3 A 11 ASN H H 1 8.485 0.02 A 11 ASN HA H 1 4.641 0.02 A 11 ASN HBy H 1 3.287 0.02 A 11 ASN HBx H 1 2.385 0.02 A 11 ASN HD21 H 1 7.094 0.02 A 11 ASN HD22 H 1 6.547 0.02 A 11 ASN C C 13 174.574 0.3 A 11 ASN CA C 13 53.945 0.3 A 11 ASN CB C 13 37.16 0.3 A 11 ASN N N 15 119.867 0.3 A 11 ASN ND2 N 15 109.356 0.3 A 12 THR H H 1 7.078 0.02 A 12 THR HA H 1 4.901 0.02 A 12 THR HB H 1 3.96 0.02 A 12 THR HG2% H 1 0.932 0.02 A 12 THR CA C 13 58.351 0.3 A 12 THR CB C 13 72.268 0.3 A 12 THR CG2 C 13 21.121 0.3 A 12 THR N N 15 104.205 0.3 A 13 CYS H H 1 9.563 0.02 A 13 CYS HA H 1 4.731 0.02 A 13 CYS HBy H 1 2.781 0.02 A 13 CYS HBx H 1 2.622 0.02 A 13 CYS C C 13 173.275 0.3 A 13 CYS CA C 13 53.595 0.3 A 13 CYS CB C 13 43.035 0.3 A 13 CYS N N 15 120.463 0.3 A 14 THR H H 1 8.239 0.02 A 14 THR HA H 1 5.366 0.02 A 14 THR HB H 1 3.948 0.02 A 14 THR HG2% H 1 0.909 0.02 A 14 THR C C 13 173.751 0.3 A 14 THR CA C 13 61.568 0.3 A 14 THR CB C 13 69.324 0.3 A 14 THR CG2 C 13 20.656 0.3 A 14 THR N N 15 126.042 0.3 A 15 TYR H H 1 8.945 0.02 A 15 TYR HA H 1 5.147 0.02 A 15 TYR HBy H 1 2.834 0.02 A 15 TYR HBx H 1 2.302 0.02 A 15 TYR HD1 H 1 6.409 0.02 A 15 TYR HD2 H 1 6.409 0.02 A 15 TYR HE1 H 1 5.741 0.02 A 15 TYR HE2 H 1 5.741 0.02 A 15 TYR C C 13 172.086 0.3 A 15 TYR CA C 13 54.535 0.3 A 15 TYR CB C 13 41.806 0.3 A 15 TYR N N 15 125.458 0.3 A 16 LEU H H 1 8.392 0.02 A 16 LEU HA H 1 4.761 0.02 A 16 LEU HB2 H 1 1.577 0.02 A 16 LEU HB3 H 1 1.577 0.02 A 16 LEU HD1% H 1 0.678 0.02 A 16 LEU HD2% H 1 0.678 0.02 A 16 LEU HG H 1 1.449 0.02 A 16 LEU C C 13 177.01 0.3 A 16 LEU CA C 13 53.827 0.3 A 16 LEU CB C 13 43.944 0.3 A 16 LEU CD2 C 13 24.298 0.3 A 16 LEU CG C 13 27.242 0.3 A 16 LEU N N 15 122.491 0.3 A 17 LYS H H 1 8.566 0.02 A 17 LYS HA H 1 4.403 0.02 A 17 LYS C C 13 177.143 0.3 A 17 LYS CB C 13 34.843 0.3 A 17 LYS CD C 13 32.731 0.3 A 17 LYS CE C 13 41.662 0.3 A 17 LYS N N 15 123.953 0.3 A 18 GLY HAy H 1 3.897 0.02 A 18 GLY HAx H 1 3.859 0.02 A 18 GLY CA C 13 47.104 0.3 A 19 GLY H H 1 8.626 0.02 A 19 GLY HAy H 1 4.076 0.02 A 19 GLY HAx H 1 3.552 0.02 A 19 GLY C C 13 173.037 0.3 A 19 GLY CA C 13 45.063 0.3 A 19 GLY N N 15 104.970 0.3 A 20 LYS H H 1 7.518 0.02 A 20 LYS HA H 1 4.503 0.02 A 20 LYS HB2 H 1 1.602 0.02 A 20 LYS HB3 H 1 1.602 0.02 A 20 LYS HD2 H 1 1.538 0.02 A 20 LYS HD3 H 1 1.538 0.02 A 20 LYS HE2 H 1 2.842 0.02 A 20 LYS HE3 H 1 2.842 0.02 A 20 LYS HG2 H 1 1.221 0.02 A 20 LYS HG3 H 1 1.221 0.02 A 20 LYS C C 13 174.844 0.3 A 20 LYS CA C 13 53.735 0.3 A 20 LYS CB C 13 35.482 0.3 A 20 LYS CD C 13 28.844 0.3 A 20 LYS CE C 13 39.079 0.3 A 20 LYS CG C 13 24.303 0.3 A 20 LYS N N 15 119.34 0.3 A 21 ASN H H 1 8.506 0.02 A 21 ASN HA H 1 4.798 0.02 A 21 ASN HBy H 1 2.393 0.02 A 21 ASN HBx H 1 2.049 0.02 A 21 ASN HD21 H 1 7.068 0.02 A 21 ASN HD22 H 1 6.543 0.02 A 21 ASN C C 13 174.975 0.3 A 21 ASN CA C 13 53.148 0.3 A 21 ASN CB C 13 39.188 0.3 A 21 ASN N N 15 121.641 0.3 A 21 ASN ND2 N 15 110.287 0.3 A 22 HIS H H 1 8.824 0.02 A 22 HIS HA H 1 4.218 0.02 A 22 HIS HBy H 1 2.301 0.02 A 22 HIS HBx H 1 1.245 0.02 A 22 HIS HD2 H 1 6.749 0.02 A 22 HIS C C 13 172.072 0.3 A 22 HIS CA C 13 54.495 0.3 A 22 HIS CB C 13 31.285 0.3 A 22 HIS N N 15 123.154 0.3 A 23 VAL H H 1 8.158 0.02 A 23 VAL HA H 1 4.815 0.02 A 23 VAL HB H 1 1.662 0.02 A 23 VAL HG1% H 1 0.698 0.02 A 23 VAL HG2% H 1 0.698 0.02 A 23 VAL C C 13 175.785 0.3 A 23 VAL CA C 13 61.218 0.3 A 23 VAL CB C 13 34.223 0.3 A 23 VAL CG1 C 13 20.845 0.3 A 23 VAL CG2 C 13 20.845 0.3 A 23 VAL N N 15 119.618 0.3 A 24 VAL H H 1 8.575 0.02 A 24 VAL HA H 1 4.516 0.02 A 24 VAL HB H 1 1.802 0.02 A 24 VAL HGx% H 1 0.465 0.02 A 24 VAL HGy% H 1 0.563 0.02 A 24 VAL C C 13 173.807 0.3 A 24 VAL CA C 13 58.84 0.3 A 24 VAL CB C 13 35.482 0.3 A 24 VAL CG1 C 13 20.903 0.3 A 24 VAL CG2 C 13 19.731 0.3 A 24 VAL N N 15 122.935 0.3 A 25 ASN H H 1 8.709 0.02 A 25 ASN HA H 1 4.507 0.02 A 25 ASN HBy H 1 2.806 0.02 A 25 ASN HBx H 1 2.657 0.02 A 25 ASN HD21 H 1 6.99 0.02 A 25 ASN HD22 H 1 7.634 0.02 A 25 ASN C C 13 175.989 0.3 A 25 ASN CA C 13 54.43 0.3 A 25 ASN CB C 13 39.079 0.3 A 25 ASN N N 15 124.245 0.3 A 25 ASN ND2 N 15 113.081 0.3 A 26 CYS H H 1 8.646 0.02 A 26 CYS HA H 1 4.167 0.02 A 26 CYS HBy H 1 3.287 0.02 A 26 CYS HBx H 1 3.054 0.02 A 26 CYS C C 13 174.408 0.3 A 26 CYS CA C 13 58.84 0.3 A 26 CYS CB C 13 42.965 0.3 A 26 CYS N N 15 120.871 0.3 A 27 GLY H H 1 7.829 0.02 A 27 GLY HAy H 1 4.184 0.02 A 27 GLY HAx H 1 3.684 0.02 A 27 GLY C C 13 172.953 0.3 A 27 GLY CA C 13 44.062 0.3 A 27 GLY N N 15 104.670 0.3 A 28 SER H H 1 8.015 0.02 A 28 SER HA H 1 4.216 0.02 A 28 SER HBy H 1 3.857 0.02 A 28 SER HBx H 1 3.78 0.02 A 28 SER C C 13 175.29 0.3 A 28 SER CA C 13 58.77 0.3 A 28 SER CB C 13 64.225 0.3 A 28 SER N N 15 112.612 0.3 A 29 ALA H H 1 7.881 0.02 A 29 ALA HA H 1 4.178 0.02 A 29 ALA HB% H 1 1.42 0.02 A 29 ALA C C 13 179.015 0.3 A 29 ALA CA C 13 52.686 0.3 A 29 ALA CB C 13 19.357 0.3 A 29 ALA N N 15 124.22 0.3 A 30 ALA H H 1 8.921 0.02 A 30 ALA HA H 1 3.816 0.02 A 30 ALA HB% H 1 1.392 0.02 A 30 ALA C C 13 178.455 0.3 A 30 ALA CA C 13 55.553 0.3 A 30 ALA CB C 13 18.313 0.3 A 30 ALA N N 15 124.866 0.3 A 31 ASN H H 1 8.081 0.02 A 31 ASN HA H 1 4.633 0.02 A 31 ASN HBy H 1 3.022 0.02 A 31 ASN HBx H 1 2.675 0.02 A 31 ASN HD21 H 1 7.558 0.02 A 31 ASN HD22 H 1 6.644 0.02 A 31 ASN C C 13 173.82 0.3 A 31 ASN CA C 13 52.759 0.3 A 31 ASN CB C 13 36.88 0.3 A 31 ASN N N 15 110.366 0.3 A 31 ASN ND2 N 15 110.998 0.3 A 32 LYS H H 1 7.381 0.02 A 32 LYS HA H 1 4.577 0.02 A 32 LYS HBx H 1 1.553 0.02 A 32 LYS HBy H 1 2.057 0.02 A 32 LYS HD2 H 1 1.686 0.02 A 32 LYS HD3 H 1 1.686 0.02 A 32 LYS HG2 H 1 1.207 0.02 A 32 LYS HG3 H 1 1.207 0.02 A 32 LYS C C 13 176.493 0.3 A 32 LYS CA C 13 54.784 0.3 A 32 LYS CB C 13 34.852 0.3 A 32 LYS CD C 13 28.966 0.3 A 32 LYS CE C 13 41.867 0.3 A 32 LYS CG C 13 23.678 0.3 A 32 LYS N N 15 116.291 0.3 A 33 LYS H H 1 7.215 0.02 A 33 LYS HA H 1 4.392 0.02 A 33 LYS HBy H 1 1.759 0.02 A 33 LYS HBx H 1 1.647 0.02 A 33 LYS HDy H 1 2.067 0.02 A 33 LYS HDx H 1 1.837 0.02 A 33 LYS HE2 H 1 3.729 0.02 A 33 LYS HE3 H 1 3.729 0.02 A 33 LYS HG2 H 1 1.289 0.02 A 33 LYS HG3 H 1 1.289 0.02 A 33 LYS C C 13 174.926 0.3 A 33 LYS CA C 13 56.043 0.3 A 33 LYS CB C 13 32.824 0.3 A 33 LYS CD C 13 29.441 0.3 A 33 LYS CG C 13 24.608 0.3 A 33 LYS N N 15 116.091 0.3 A 34 CYS H H 1 8.896 0.02 A 34 CYS HA H 1 4.26 0.02 A 34 CYS HBy H 1 3.41 0.02 A 34 CYS HBx H 1 3.02 0.02 A 34 CYS C C 13 174.507 0.3 A 34 CYS CA C 13 56.178 0.3 A 34 CYS CB C 13 38.187 0.3 A 34 CYS N N 15 118.766 0.3 A 35 LYS H H 1 9.487 0.02 A 35 LYS HA H 1 4.267 0.02 A 35 LYS HBy H 1 1.607 0.02 A 35 LYS HBx H 1 1.488 0.02 A 35 LYS HDy H 1 2.062 0.02 A 35 LYS HDx H 1 1.844 0.02 A 35 LYS HGy H 1 1.32 0.02 A 35 LYS HGx H 1 1.218 0.02 A 35 LYS C C 13 175.855 0.3 A 35 LYS CA C 13 56.209 0.3 A 35 LYS CB C 13 34.223 0.3 A 35 LYS CD C 13 29.198 0.3 A 35 LYS CE C 13 38.089 0.3 A 35 LYS CG C 13 25.073 0.3 A 35 LYS N N 15 129.516 0.3 A 36 SER H H 1 7.388 0.02 A 36 SER HA H 1 4.477 0.02 A 36 SER HB2 H 1 3.662 0.02 A 36 SER HB3 H 1 3.662 0.02 A 36 SER C C 13 172.59 0.3 A 36 SER CA C 13 56.409 0.3 A 36 SER CB C 13 64.225 0.3 A 36 SER N N 15 114.822 0.3 A 37 ASP H H 1 9.085 0.02 A 37 ASP HA H 1 4.346 0.02 A 37 ASP HB2 H 1 2.549 0.02 A 37 ASP HB3 H 1 2.549 0.02 A 37 ASP C C 13 177.15 0.3 A 37 ASP CA C 13 57.358 0.3 A 37 ASP CB C 13 41.146 0.3 A 37 ASP N N 15 124.914 0.3 A 38 ARG H H 1 8.895 0.02 A 38 ARG HA H 1 3.939 0.02 A 38 ARG HB2 H 1 2.07 0.02 A 38 ARG HB3 H 1 2.07 0.02 A 38 ARG HDy H 1 3.179 0.02 A 38 ARG HDx H 1 3.105 0.02 A 38 ARG HGy H 1 1.559 0.02 A 38 ARG HGx H 1 1.453 0.02 A 38 ARG C C 13 176.255 0.3 A 38 ARG CA C 13 58.264 0.3 A 38 ARG CB C 13 26.518 0.3 A 38 ARG CD C 13 43.261 0.3 A 38 ARG CG C 13 27.397 0.3 A 38 ARG N N 15 118.605 0.3 A 39 HIS H H 1 8.042 0.02 A 39 HIS HA H 1 4.046 0.02 A 39 HIS HBy H 1 3.595 0.02 A 39 HIS HBx H 1 3.432 0.02 A 39 HIS HD2 H 1 7.114 0.02 A 39 HIS C C 13 175.129 0.3 A 39 HIS CA C 13 57.936 0.3 A 39 HIS CB C 13 28.908 0.3 A 39 HIS N N 15 119.136 0.3 A 40 HIS H H 1 8.643 0.02 A 40 HIS HA H 1 4.868 0.02 A 40 HIS HBy H 1 3.071 0.02 A 40 HIS HBx H 1 2.848 0.02 A 40 HIS HD2 H 1 7.281 0.02 A 40 HIS C C 13 174.212 0.3 A 40 HIS CA C 13 57.09 0.3 A 40 HIS CB C 13 28.572 0.3 A 40 HIS N N 15 124.543 0.3 A 41 CYS H H 1 7.966 0.02 A 41 CYS HA H 1 5.344 0.02 A 41 CYS HBy H 1 3.271 0.02 A 41 CYS HBx H 1 2.904 0.02 A 41 CYS CA C 13 53.209 0.3 A 41 CYS N N 15 119.779 0.3 A 42 GLU H H 1 8.341 0.02 A 42 GLU HA H 1 5.254 0.02 A 42 GLU HB2 H 1 1.763 0.02 A 42 GLU HB3 H 1 1.763 0.02 A 42 GLU HG2 H 1 2.079 0.02 A 42 GLU HG3 H 1 2.079 0.02 A 42 GLU C C 13 173.961 0.3 A 42 GLU CA C 13 54.108 0.3 A 42 GLU CB C 13 34.852 0.3 A 42 GLU CG C 13 36.579 0.3 A 42 GLU N N 15 116.823 0.3 A 43 TYR H H 1 8.869 0.02 A 43 TYR HA H 1 5.101 0.02 A 43 TYR HBy H 1 2.19 0.02 A 43 TYR HBx H 1 1.981 0.02 A 43 TYR HDx H 1 6.51 0.02 A 43 TYR HDy H 1 6.523 0.02 A 43 TYR C C 13 173.093 0.3 A 43 TYR CA C 13 55.094 0.3 A 43 TYR CB C 13 41.477 0.3 A 43 TYR N N 15 122.033 0.3 A 44 ASP H H 1 8.398 0.02 A 44 ASP HA H 1 4.469 0.02 A 44 ASP HBy H 1 2.74 0.02 A 44 ASP HBx H 1 2.351 0.02 A 44 ASP C C 13 175.108 0.3 A 44 ASP CA C 13 51.497 0.3 A 44 ASP CB C 13 41.947 0.3 A 44 ASP N N 15 127.671 0.3 A 45 GLU H H 1 8.761 0.02 A 45 GLU HA H 1 3.488 0.02 A 45 GLU HB2 H 1 1.832 0.02 A 45 GLU HB3 H 1 1.832 0.02 A 45 GLU HG2 H 1 2.177 0.02 A 45 GLU HG3 H 1 2.177 0.02 A 45 GLU C C 13 177.241 0.3 A 45 GLU CA C 13 57.913 0.3 A 45 GLU CB C 13 29.486 0.3 A 45 GLU CG C 13 35.707 0.3 A 45 GLU N N 15 125.514 0.3 A 46 HIS H H 1 7.966 0.02 A 46 HIS HA H 1 4.234 0.02 A 46 HIS HBy H 1 2.906 0.02 A 46 HIS HBx H 1 2.826 0.02 A 46 HIS HD2 H 1 6.463 0.02 A 46 HIS C C 13 176.224 0.3 A 46 HIS CA C 13 57.879 0.3 A 46 HIS CB C 13 29.067 0.3 A 46 HIS N N 15 118.871 0.3 A 47 HIS H H 1 7.413 0.02 A 47 HIS HA H 1 4.471 0.02 A 47 HIS HBy H 1 3.238 0.02 A 47 HIS HBx H 1 2.407 0.02 A 47 HIS HD2 H 1 7.183 0.02 A 47 HIS C C 13 173.023 0.3 A 47 HIS CA C 13 55.693 0.3 A 47 HIS CB C 13 29.252 0.3 A 47 HIS N N 15 113.384 0.3 A 48 LYS H H 1 7.616 0.02 A 48 LYS HA H 1 3.716 0.02 A 48 LYS HBy H 1 2.031 0.02 A 48 LYS HBx H 1 1.82 0.02 A 48 LYS HD2 H 1 1.643 0.02 A 48 LYS HD3 H 1 1.643 0.02 A 48 LYS HE2 H 1 2.956 0.02 A 48 LYS HE3 H 1 2.956 0.02 A 48 LYS HG2 H 1 1.261 0.02 A 48 LYS HG3 H 1 1.261 0.02 A 48 LYS C C 13 175.029 0.3 A 48 LYS CA C 13 57.092 0.3 A 48 LYS CB C 13 29.044 0.3 A 48 LYS CD C 13 29.379 0.3 A 48 LYS CE C 13 42.39 0.3 A 48 LYS CG C 13 24.782 0.3 A 48 LYS N N 15 118.306 0.3 A 49 ARG H H 1 7.392 0.02 A 49 ARG HA H 1 4.787 0.02 A 49 ARG HB2 H 1 1.705 0.02 A 49 ARG HB3 H 1 1.705 0.02 A 49 ARG HDy H 1 3.176 0.02 A 49 ARG HDx H 1 3.091 0.02 A 49 ARG HG2 H 1 1.529 0.02 A 49 ARG HG3 H 1 1.529 0.02 A 49 ARG C C 13 174.111 0.3 A 49 ARG CA C 13 54.714 0.3 A 49 ARG CB C 13 34.153 0.3 A 49 ARG CD C 13 43.436 0.3 A 49 ARG CG C 13 27.223 0.3 A 49 ARG N N 15 117.344 0.3 A 50 VAL H H 1 8.784 0.02 A 50 VAL HA H 1 5.04 0.02 A 50 VAL HB H 1 2.009 0.02 A 50 VAL HGx% H 1 0.959 0.02 A 50 VAL HGy% H 1 1.025 0.02 A 50 VAL C C 13 173.721 0.3 A 50 VAL CA C 13 59.771 0.3 A 50 VAL CB C 13 35.057 0.3 A 50 VAL CG1 C 13 21.876 0.3 A 50 VAL CG2 C 13 21.876 0.3 A 50 VAL N N 15 125.737 0.3 A 51 ASP H H 1 8.472 0.02 A 51 ASP HA H 1 4.877 0.02 A 51 ASP HBy H 1 2.824 0.02 A 51 ASP HBx H 1 2.433 0.02 A 51 ASP CA C 13 53.385 0.3 A 51 ASP CB C 13 43.384 0.3 A 51 ASP N N 15 125.083 0.3 A 52 CYS H H 1 9.246 0.02 A 52 CYS HA H 1 4.707 0.02 A 52 CYS HBy H 1 3.898 0.02 A 52 CYS HBx H 1 3.554 0.02 A 52 CYS CA C 13 53.708 0.3 A 52 CYS CB C 13 40.627 0.3 A 52 CYS N N 15 122.922 0.3 A 53 GLN H H 1 8.884 0.02 A 53 GLN HA H 1 3.947 0.02 A 53 GLN HB2 H 1 1.6 0.02 A 53 GLN HB3 H 1 1.6 0.02 A 53 GLN HE21 H 1 8.869 0.02 A 53 GLN HE22 H 1 7.094 0.02 A 53 GLN HGy H 1 2.141 0.02 A 53 GLN HGx H 1 2.074 0.02 A 53 GLN C C 13 175.436 0.3 A 53 GLN CA C 13 55.343 0.3 A 53 GLN CB C 13 29.607 0.3 A 53 GLN CG C 13 33.789 0.3 A 53 GLN N N 15 117.958 0.3 A 53 GLN NE2 N 15 114.8 0.3 A 54 THR H H 1 7.271 0.02 A 54 THR HA H 1 4.374 0.02 A 54 THR HB H 1 4.044 0.02 A 54 THR HG1 H 1 4.974 0.02 A 54 THR HG2% H 1 1.131 0.02 A 54 THR C C 13 173.387 0.3 A 54 THR CA C 13 60.659 0.3 A 54 THR CB C 13 68.841 0.3 A 54 THR CG2 C 13 21.618 0.3 A 54 THR N N 15 115.566 0.3 A 55 PRO HA H 1 4.47 0.02 A 55 PRO HBx H 1 1.925 0.02 A 55 PRO HBy H 1 2.229 0.02 A 55 PRO HDx H 1 3.672 0.02 A 55 PRO HDy H 1 3.849 0.02 A 55 PRO CA C 13 63.568 0.3 A 55 PRO CB C 13 31.705 0.3 A 55 PRO CD C 13 51.014 0.3 A 56 VAL H H 1 7.579 0.02 A 56 VAL HA H 1 3.734 0.02 A 56 VAL HB H 1 1.805 0.02 A 56 VAL HG1% H 1 0.684 0.02 A 56 VAL HG2% H 1 0.684 0.02 A 56 VAL C C 13 180.745 0.3 A 56 VAL CA C 13 63.56 0.3 A 56 VAL CB C 13 32.964 0.3 A 56 VAL CG1 C 13 21.36 0.3 A 56 VAL CG2 C 13 20.225 0.3 A 56 VAL N N 15 122.992 0.3 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 12 THR HB A 23 VAL HG1% 1.0 . 3.51 2 1 A 12 THR HB A 23 VAL HG2% 1.0 . 3.51 3 2 A 12 THR HB A 25 ASN HA 1.0 . 4.60 4 3 A 14 THR HB A 21 ASN HD21 1.0 . 4.90 5 4 A 14 THR HB A 21 ASN HD22 1.0 . 5.25 6 5 A 54 THR HB A 55 PRO HDx 1.0 . 4.00 7 6 A 54 THR HB A 55 PRO HDy 1.0 . 4.25 8 7 A 7 SER HBy A 10 HIS HBx 1.0 . 4.50 9 8 A 56 VAL HA A 56 VAL HG1% 1.0 . 4.08 10 8 A 56 VAL HA A 56 VAL HG2% 1.0 . 4.08 11 9 A 14 THR HA A 23 VAL HA 1.0 . 3.40 12 10 A 14 THR HA A 22 HIS H 1.0 . 4.45 13 11 A 31 ASN HD21 A 54 THR HA 1.0 . 5.15 14 12 A 55 PRO HDy A 54 THR HA 1.0 . 3.17 15 13 A 50 VAL HA A 51 ASP H 1.0 . 3.10 16 14 A 50 VAL HA A 50 VAL HGy% 1.0 . 3.77 17 15 A 50 VAL HA A 43 TYR HDx 1.0 . 4.91 18 15 A 50 VAL HA A 43 TYR HDy 1.0 . 4.91 19 16 A 26 CYS HA A 51 ASP HA 1.0 . 4.72 20 17 A 24 VAL HA A 23 VAL HG1% 1.0 . 4.43 21 17 A 23 VAL HG2% A 24 VAL HA 1.0 . 4.43 22 18 A 51 ASP H A 26 CYS HA 1.0 . 5.50 23 19 A 8 LEU HG A 9 LYS HA 1.0 . 4.17 24 20 A 9 LYS HA A 9 LYS HGy 1.0 . 4.15 25 21 A 46 HIS HA A 47 HIS HA 1.0 . 4.61 26 22 A 46 HIS HA A 45 GLU HA 1.0 . 5.40 27 23 A 45 GLU HA A 48 LYS HA 1.0 . 3.90 28 24 A 45 GLU HA A 48 LYS HG2 1.0 . 5.40 29 24 A 45 GLU HA A 48 LYS HG3 1.0 . 5.40 30 25 A 46 HIS HA A 45 GLU HB2 1.0 . 4.50 31 25 A 46 HIS HA A 45 GLU HB3 1.0 . 4.50 32 26 A 6 CYS HBx A 39 HIS HA 1.0 . 5.06 33 27 A 45 GLU HA A 48 LYS H 1.0 . 4.24 34 28 A 46 HIS HA A 48 LYS HG2 1.0 . 4.88 35 28 A 46 HIS HA A 48 LYS HG3 1.0 . 4.88 36 29 A 7 SER HA A 8 LEU HA 1.0 . 4.91 37 30 A 8 LEU HA A 11 ASN HA 1.0 . 5.22 38 31 A 8 LEU HA A 34 CYS HBx 1.0 . 3.76 39 32 A 8 LEU HA A 8 LEU HDx% 1.0 . 4.55 40 33 A 8 LEU HA A 37 ASP HB2 1.0 . 4.62 41 33 A 8 LEU HA A 37 ASP HB3 1.0 . 4.62 42 34 A 8 LEU HA A 34 CYS HBy 1.0 . 5.00 43 35 A 40 HIS HA A 41 CYS HBy 1.0 . 4.16 44 36 A 8 LEU HA A 37 ASP HA 1.0 . 4.41 45 37 A 37 ASP HA A 8 LEU HBy 1.0 . 3.83 46 38 A 48 LYS HA A 48 LYS HD2 1.0 . 4.43 47 38 A 48 LYS HA A 48 LYS HD3 1.0 . 4.43 48 39 A 48 LYS HA A 48 LYS HG2 1.0 . 3.63 49 39 A 48 LYS HA A 48 LYS HG3 1.0 . 3.63 50 40 A 8 LEU HBx A 36 SER HA 1.0 . 3.44 51 41 A 34 CYS HA A 53 GLN HE22 1.0 . 5.50 52 42 A 35 LYS HA A 35 LYS HGx 1.0 . 3.97 53 43 A 35 LYS HA A 35 LYS HDy 1.0 . 5.25 54 44 A 36 SER HA A 35 LYS HA 1.0 . 4.87 55 45 A 28 SER HBx A 33 LYS HA 1.0 . 5.17 56 46 A 33 LYS HA A 11 ASN HD22 1.0 . 4.04 57 47 A 33 LYS HA A 52 CYS HBx 1.0 . 4.87 58 48 A 47 HIS HA A 48 LYS HE2 1.0 . 4.54 59 48 A 47 HIS HA A 48 LYS HE3 1.0 . 4.54 60 49 A 47 HIS HA A 46 HIS HBy 1.0 . 4.77 61 50 A 47 HIS HA A 48 LYS HBy 1.0 . 4.55 62 51 A 47 HIS HA A 48 LYS HG2 1.0 . 4.26 63 51 A 47 HIS HA A 48 LYS HG3 1.0 . 4.26 64 52 A 52 CYS HBx A 53 GLN HA 1.0 . 5.43 65 53 A 53 GLN HA A 53 GLN HGx 1.0 . 3.77 66 54 A 30 ALA HA A 32 LYS H 1.0 . 4.50 67 55 A 50 VAL HGy% A 43 TYR HA 1.0 . 4.51 68 56 A 29 ALA H A 32 LYS HA 1.0 . 4.84 69 57 A 21 ASN HA A 22 HIS HA 1.0 . 4.92 70 58 A 4 GLY HAx A 15 TYR HA 1.0 . 3.63 71 59 A 15 TYR HA A 16 LEU HB2 1.0 . 4.40 72 59 A 15 TYR HA A 16 LEU HB3 1.0 . 4.40 73 60 A 15 TYR HA A 5 GLU H 1.0 . 4.42 74 61 A 14 THR HA A 15 TYR HA 1.0 . 4.78 75 62 A 7 SER HA A 37 ASP HA 1.0 . 4.43 76 63 A 7 SER HA A 6 CYS HA 1.0 . 4.48 77 64 A 49 ARG HA A 50 VAL H 1.0 . 2.96 78 65 A 32 LYS HA A 32 LYS HD2 1.0 . 3.81 79 65 A 32 LYS HA A 32 LYS HD3 1.0 . 3.81 80 66 A 25 ASN HA A 13 CYS H 1.0 . 3.69 81 67 A 25 ASN HA A 12 THR HA 1.0 . 3.36 82 68 A 25 ASN HA A 26 CYS HBy 1.0 . 4.55 83 69 A 51 ASP H A 42 GLU HA 1.0 . 4.98 84 70 A 5 GLU HA A 5 GLU HGy 1.0 . 3.63 85 71 A 16 LEU HA A 17 LYS H 1.0 . 2.40 86 72 A 25 ASN HA A 23 VAL HG1% 1.0 . 4.56 87 72 A 23 VAL HG2% A 25 ASN HA 1.0 . 4.56 88 73 A 25 ASN HA A 25 ASN HD21 1.0 . 4.35 89 74 A 42 GLU HA A 43 TYR H 1.0 . 2.94 90 75 A 42 GLU HA A 42 GLU HG2 1.0 . 3.91 91 75 A 42 GLU HA A 42 GLU HG3 1.0 . 3.91 92 76 A 5 GLU HA A 40 HIS HBx 1.0 . 4.39 93 77 A 5 GLU HA A 40 HIS HBy 1.0 . 5.12 94 78 A 52 CYS HA A 52 CYS HBy 1.0 . 2.67 95 79 A 20 LYS HA A 16 LEU HD1% 1.0 . 4.82 96 79 A 16 LEU HD2% A 20 LYS HA 1.0 . 4.82 97 80 A 51 ASP HA A 52 CYS HBx 1.0 . 4.64 98 81 A 20 LYS HA A 20 LYS HE2 1.0 . 3.78 99 81 A 20 LYS HA A 20 LYS HE3 1.0 . 3.78 100 82 A 20 LYS HA A 21 ASN HBy 1.0 . 4.42 101 83 A 20 LYS HA A 20 LYS HG2 1.0 . 4.06 102 83 A 20 LYS HA A 20 LYS HG3 1.0 . 4.06 103 84 A 6 CYS HBy A 41 CYS HA 1.0 . 4.84 104 85 A 40 HIS HA A 41 CYS HA 1.0 . 4.95 105 86 A 34 CYS HBy A 6 CYS HA 1.0 . 5.05 106 87 A 52 CYS HA A 41 CYS HA 1.0 . 3.70 107 88 A 6 CYS HA A 41 CYS H 1.0 . 5.26 108 89 A 29 ALA HA A 32 LYS HBx 1.0 . 5.44 109 90 A 29 ALA HA A 28 SER HBy 1.0 . 4.97 110 91 A 44 ASP HA A 46 HIS H 1.0 . 4.20 111 92 A 44 ASP HA A 45 GLU H 1.0 . 3.06 112 93 A 19 GLY HAy A 18 GLY HAy 1.0 . 5.41 113 94 A 4 GLY HAy A 15 TYR HBy 1.0 . 5.12 114 95 A 15 TYR HA A 4 GLY HAy 1.0 . 4.06 115 96 A 4 GLY HAy A 15 TYR H 1.0 . 5.07 116 97 A 19 GLY HAx A 18 GLY HAy 1.0 . 5.17 117 98 A 2 PHE HD% A 3 GLY HAy 1.0 . 4.06 118 99 A 17 LYS HA A 16 LEU HB2 1.0 . 5.49 119 99 A 16 LEU HB3 A 17 LYS HA 1.0 . 5.49 120 100 A 51 ASP HBy A 54 THR HG2% 1.0 . 5.00 121 101 A 51 ASP HBx A 32 LYS HD2 1.0 . 5.01 122 101 A 32 LYS HD3 A 51 ASP HBx 1.0 . 5.01 123 102 A 6 CYS HBy A 53 GLN H 1.0 . 5.50 124 103 A 38 ARG HDy A 38 ARG HB2 1.0 . 3.96 125 103 A 38 ARG HB3 A 38 ARG HDy 1.0 . 3.96 126 104 A 33 LYS HA A 26 CYS HBx 1.0 . 4.26 127 105 A 7 SER HA A 8 LEU HBx 1.0 . 5.02 128 106 A 8 LEU HBx A 9 LYS H 1.0 . 4.78 129 107 A 52 CYS HA A 6 CYS HBy 1.0 . 4.90 130 108 A 6 CYS HBy A 7 SER H 1.0 . 4.17 131 109 A 52 CYS HBx A 26 CYS HBy 1.0 . 4.11 132 110 A 52 CYS HBx A 26 CYS HBx 1.0 . 5.47 133 111 A 6 CYS HBx A 39 HIS HBx 1.0 . 4.83 134 112 A 6 CYS HBx A 41 CYS HBy 1.0 . 4.90 135 113 A 13 CYS HBy A 24 VAL H 1.0 . 4.95 136 114 A 50 VAL HGy% A 13 CYS HBx 1.0 . 5.11 137 115 A 52 CYS HBy A 6 CYS HBy 1.0 . 4.41 138 116 A 6 CYS HBx A 34 CYS HBy 1.0 . 4.65 139 117 A 15 TYR HBy A 2 PHE HBy 1.0 . 3.41 140 118 A 44 ASP HBy A 49 ARG HDy 1.0 . 5.45 141 119 A 44 ASP HBx A 47 HIS H 1.0 . 5.17 142 120 A 44 ASP HBx A 49 ARG HG2 1.0 . 4.67 143 120 A 44 ASP HBx A 49 ARG HG3 1.0 . 4.67 144 121 A 44 ASP HBx A 44 ASP H 1.0 . 4.21 145 122 A 4 GLY HAx A 15 TYR HBy 1.0 . 4.64 146 123 A 44 ASP HBy A 47 HIS HBy 1.0 . 4.41 147 124 A 4 GLY HAx A 15 TYR HBx 1.0 . 4.75 148 125 A 15 TYR HBy A 3 GLY HAy 1.0 . 5.13 149 126 A 15 TYR HBy A 2 PHE HD% 1.0 . 5.00 150 127 A 37 ASP HB3 A 38 ARG HB2 1.0 . 5.50 151 127 A 37 ASP HB2 A 38 ARG HB2 1.0 . 5.50 152 127 A 38 ARG HB3 A 37 ASP HB2 1.0 . 5.50 153 127 A 37 ASP HB3 A 38 ARG HB3 1.0 . 5.50 154 128 A 24 VAL HB A 43 TYR HBy 1.0 . 5.18 155 129 A 36 SER HA A 37 ASP HB2 1.0 . 4.61 156 129 A 37 ASP HB3 A 36 SER HA 1.0 . 4.61 157 130 A 52 CYS HBy A 53 GLN H 1.0 . 5.46 158 131 A 11 ASN HA A 34 CYS HBy 1.0 . 4.58 159 132 A 11 ASN HA A 34 CYS HBx 1.0 . 4.34 160 133 A 11 ASN HBy A 11 ASN HD21 1.0 . 3.93 161 134 A 4 GLY H A 42 GLU HG2 1.0 . 5.23 162 134 A 42 GLU HG3 A 4 GLY H 1.0 . 5.23 163 135 A 51 ASP HBy A 42 GLU HG2 1.0 . 5.47 164 135 A 42 GLU HG3 A 51 ASP HBy 1.0 . 5.47 165 136 A 46 HIS HD2 A 45 GLU HG2 1.0 . 5.50 166 136 A 45 GLU HG3 A 46 HIS HD2 1.0 . 5.50 167 137 A 24 VAL HB A 43 TYR HDx 1.0 . 5.50 168 137 A 24 VAL HB A 43 TYR HDy 1.0 . 5.50 169 138 A 24 VAL HB A 50 VAL HGx% 1.0 . 4.40 170 139 A 20 LYS H A 20 LYS HB2 1.0 . 3.85 171 139 A 20 LYS H A 20 LYS HB3 1.0 . 3.85 172 140 A 22 HIS HD2 A 20 LYS HB2 1.0 . 5.50 173 140 A 20 LYS HB3 A 22 HIS HD2 1.0 . 5.50 174 141 A 24 VAL HB A 23 VAL HG1% 1.0 . 5.50 175 141 A 23 VAL HG2% A 24 VAL HB 1.0 . 5.50 176 142 A 51 ASP H A 50 VAL HB 1.0 . 5.01 177 143 A 50 VAL HB A 43 TYR HDx 1.0 . 3.77 178 143 A 50 VAL HB A 43 TYR HDy 1.0 . 3.77 179 144 A 35 LYS HBy A 53 GLN HGy 1.0 . 4.97 180 145 A 5 GLU HBx A 38 ARG HA 1.0 . 4.01 181 146 A 14 THR HG2% A 23 VAL HB 1.0 . 5.32 182 147 A 23 VAL HB A 24 VAL HGy% 1.0 . 5.50 183 148 A 8 LEU HDx% A 33 LYS HBy 1.0 . 4.70 184 149 A 34 CYS HA A 33 LYS HBy 1.0 . 4.97 185 150 A 33 LYS HBx A 34 CYS H 1.0 . 4.26 186 151 A 11 ASN HD21 A 33 LYS HBy 1.0 . 5.45 187 152 A 11 ASN HD21 A 33 LYS HBx 1.0 . 5.33 188 153 A 9 LYS H A 9 LYS HBx 1.0 . 4.12 189 154 A 47 HIS HBy A 49 ARG HG2 1.0 . 4.86 190 154 A 49 ARG HG3 A 47 HIS HBy 1.0 . 4.86 191 155 A 46 HIS HBy A 47 HIS H 1.0 . 5.29 192 156 A 39 HIS HBy A 40 HIS HD2 1.0 . 5.32 193 157 A 39 HIS HBx A 40 HIS HD2 1.0 . 5.31 194 158 A 9 LYS HD2 A 37 ASP HB2 1.0 . 4.90 195 158 A 9 LYS HD3 A 37 ASP HB2 1.0 . 4.90 196 158 A 37 ASP HB3 A 9 LYS HD2 1.0 . 4.90 197 158 A 37 ASP HB3 A 9 LYS HD3 1.0 . 4.90 198 159 A 40 HIS HBy A 39 HIS HD2 1.0 . 5.37 199 160 A 17 LYS H A 16 LEU HG 1.0 . 5.21 200 161 A 50 VAL H A 49 ARG HG2 1.0 . 5.50 201 161 A 50 VAL H A 49 ARG HG3 1.0 . 5.50 202 162 A 35 LYS HGx A 8 LEU HDy% 1.0 . 4.62 203 163 A 8 LEU HA A 8 LEU HDy% 1.0 . 3.69 204 164 A 35 LYS HDy A 8 LEU HDy% 1.0 . 5.50 205 165 A 8 LEU HDy% A 35 LYS HBx 1.0 . 4.68 206 166 A 51 ASP HA A 50 VAL HGx% 1.0 . 5.50 207 167 A 50 VAL HA A 50 VAL HGx% 1.0 . 3.99 208 168 A 13 CYS HBx A 50 VAL HGx% 1.0 . 5.00 209 169 A 49 ARG HA A 50 VAL HGx% 1.0 . 5.36 210 170 A 54 THR HG2% A 42 GLU HG2 1.0 . 5.43 211 170 A 42 GLU HG3 A 54 THR HG2% 1.0 . 5.43 212 171 A 54 THR HG2% A 32 LYS HD2 1.0 . 4.89 213 171 A 32 LYS HD3 A 54 THR HG2% 1.0 . 4.89 214 172 A 50 VAL HGy% A 49 ARG HA 1.0 . 5.50 215 173 A 50 VAL HGy% A 26 CYS HA 1.0 . 3.79 216 174 A 50 VAL HGy% A 13 CYS HBy 1.0 . 5.50 217 175 A 50 VAL HGy% A 26 CYS H 1.0 . 5.43 218 176 A 10 HIS HBx A 12 THR HG2% 1.0 . 4.58 219 177 A 22 HIS HBx A 24 VAL HGx% 1.0 . 5.34 220 178 A 14 THR HG2% A 22 HIS HBx 1.0 . 5.03 221 179 A 14 THR HG2% A 5 GLU HBy 1.0 . 4.85 222 180 A 25 ASN HBx A 23 VAL HG1% 1.0 . 4.95 223 180 A 23 VAL HG2% A 25 ASN HBx 1.0 . 4.95 224 181 A 22 HIS HBy A 23 VAL HG1% 1.0 . 4.80 225 181 A 23 VAL HG2% A 22 HIS HBy 1.0 . 4.80 226 182 A 14 THR HG2% A 23 VAL HG1% 1.0 . 3.49 227 182 A 23 VAL HG2% A 14 THR HG2% 1.0 . 3.49 228 183 A 13 CYS HBx A 24 VAL HGx% 1.0 . 4.63 229 184 A 50 VAL HB A 24 VAL HGx% 1.0 . 5.11 230 185 A 50 VAL HGy% A 24 VAL HGx% 1.0 . 4.58 231 186 A 50 VAL HGx% A 24 VAL HGx% 1.0 . 4.68 232 187 A 24 VAL HGx% A 23 VAL HG1% 1.0 . 4.15 233 187 A 23 VAL HG2% A 24 VAL HGx% 1.0 . 4.15 234 188 A 23 VAL HA A 24 VAL HGx% 1.0 . 5.50 235 189 A 50 VAL HGx% A 24 VAL HGy% 1.0 . 4.18 236 190 A 13 CYS HBx A 24 VAL HGy% 1.0 . 4.34 237 191 A 24 VAL HGy% A 22 HIS HBy 1.0 . 5.50 238 192 A 24 VAL HGy% A 43 TYR HBx 1.0 . 5.10 239 193 A 29 ALA HB% A 32 LYS HBy 1.0 . 5.10 240 194 A 29 ALA HB% A 31 ASN H 1.0 . 4.61 241 195 A 32 LYS H A 29 ALA HB% 1.0 . 4.68 242 196 A 43 TYR HA A 44 ASP H 1.0 . 3.16 243 197 A 44 ASP HBy A 44 ASP H 1.0 . 3.77 244 198 A 44 ASP H A 49 ARG HG2 1.0 . 5.50 245 198 A 49 ARG HG3 A 44 ASP H 1.0 . 5.50 246 199 A 44 ASP H A 43 TYR HBx 1.0 . 5.21 247 200 A 49 ARG HA A 44 ASP H 1.0 . 5.34 248 201 A 24 VAL H A 14 THR H 1.0 . 5.16 249 202 A 4 GLY HAx A 14 THR H 1.0 . 5.40 250 203 A 5 GLU H A 14 THR H 1.0 . 3.91 251 204 A 14 THR H A 13 CYS HA 1.0 . 3.05 252 205 A 13 CYS HBy A 14 THR H 1.0 . 4.87 253 206 A 13 CYS HBx A 14 THR H 1.0 . 5.35 254 207 A 50 VAL H A 50 VAL HGx% 1.0 . 3.93 255 208 A 45 GLU H A 46 HIS HD2 1.0 . 5.04 256 209 A 45 GLU H A 2 PHE HE% 1.0 . 5.50 257 210 A 45 GLU H A 45 GLU HB2 1.0 . 3.58 258 210 A 45 GLU HB3 A 45 GLU H 1.0 . 3.58 259 211 A 8 LEU HDx% A 37 ASP H 1.0 . 4.63 260 212 A 51 ASP H A 43 TYR H 1.0 . 5.02 261 213 A 37 ASP H A 36 SER HB2 1.0 . 4.12 262 213 A 37 ASP H A 36 SER HB3 1.0 . 4.12 263 214 A 30 ALA H A 30 ALA HB% 1.0 . 3.78 264 215 A 29 ALA H A 33 LYS HG2 1.0 . 5.27 265 215 A 29 ALA H A 33 LYS HG3 1.0 . 5.27 266 216 A 31 ASN HD21 A 29 ALA H 1.0 . 5.50 267 217 A 29 ALA H A 28 SER HA 1.0 . 3.40 268 218 A 11 ASN HD21 A 27 GLY H 1.0 . 5.43 269 219 A 27 GLY H A 25 ASN HBy 1.0 . 5.11 270 220 A 27 GLY H A 28 SER H 1.0 . 4.31 271 221 A 22 HIS H A 17 LYS H 1.0 . 4.73 272 222 A 22 HIS H A 21 ASN HBx 1.0 . 4.20 273 223 A 22 HIS H A 21 ASN H 1.0 . 4.75 274 224 A 24 VAL H A 13 CYS HBx 1.0 . 5.01 275 225 A 51 ASP HBy A 52 CYS H 1.0 . 4.84 276 226 A 38 ARG HA A 6 CYS H 1.0 . 4.85 277 227 A 16 LEU HG A 16 LEU H 1.0 . 4.49 278 228 A 43 TYR H A 43 TYR HDx 1.0 . 5.36 279 229 A 43 TYR H A 42 GLU HB2 1.0 . 4.14 280 229 A 43 TYR H A 42 GLU HB3 1.0 . 4.14 281 230 A 21 ASN H A 20 LYS HB2 1.0 . 4.20 282 230 A 20 LYS HB3 A 21 ASN H 1.0 . 4.20 283 231 A 26 CYS H A 12 THR H 1.0 . 5.13 284 232 A 13 CYS H A 25 ASN H 1.0 . 5.43 285 233 A 13 CYS H A 13 CYS HBx 1.0 . 3.63 286 234 A 12 THR H A 11 ASN H 1.0 . 3.90 287 235 A 10 HIS HBx A 11 ASN H 1.0 . 4.84 288 236 A 46 HIS H A 45 GLU HB2 1.0 . 5.50 289 236 A 45 GLU HB3 A 46 HIS H 1.0 . 5.50 290 237 A 46 HIS H A 45 GLU H 1.0 . 5.09 291 238 A 34 CYS HBx A 34 CYS H 1.0 . 3.35 292 239 A 37 ASP H A 38 ARG H 1.0 . 3.91 293 240 A 33 LYS HA A 34 CYS H 1.0 . 2.81 294 241 A 34 CYS H A 33 LYS HDy 1.0 . 4.95 295 242 A 48 LYS H A 49 ARG H 1.0 . 3.42 296 243 A 48 LYS H A 49 ARG HG2 1.0 . 5.50 297 243 A 48 LYS H A 49 ARG HG3 1.0 . 5.50 298 244 A 53 GLN HGx A 53 GLN H 1.0 . 4.55 299 245 A 53 GLN H A 53 GLN HB2 1.0 . 3.79 300 245 A 53 GLN H A 53 GLN HB3 1.0 . 3.79 301 246 A 7 SER HA A 9 LYS H 1.0 . 4.75 302 247 A 44 ASP HBy A 49 ARG H 1.0 . 4.15 303 248 A 44 ASP H A 49 ARG H 1.0 . 4.35 304 249 A 44 ASP HBx A 49 ARG H 1.0 . 4.79 305 250 A 49 ARG H A 49 ARG HG2 1.0 . 4.04 306 250 A 49 ARG HG3 A 49 ARG H 1.0 . 4.04 307 251 A 52 CYS HA A 42 GLU H 1.0 . 4.76 308 252 A 54 THR HG2% A 42 GLU H 1.0 . 5.31 309 253 A 42 GLU H A 42 GLU HG2 1.0 . 4.58 310 253 A 42 GLU HG3 A 42 GLU H 1.0 . 4.58 311 254 A 42 GLU H A 42 GLU HB2 1.0 . 3.92 312 254 A 42 GLU HB3 A 42 GLU H 1.0 . 3.92 313 255 A 54 THR HA A 32 LYS H 1.0 . 5.42 314 256 A 28 SER HBx A 33 LYS H 1.0 . 5.40 315 257 A 53 GLN HGx A 54 THR H 1.0 . 5.50 316 258 A 54 THR H A 53 GLN HB2 1.0 . 4.91 317 258 A 53 GLN HB3 A 54 THR H 1.0 . 4.91 318 259 A 7 SER H A 13 CYS HA 1.0 . 5.07 319 260 A 31 ASN HA A 53 GLN HE21 1.0 . 4.92 320 261 A 35 LYS HGx A 53 GLN HE21 1.0 . 5.38 321 262 A 35 LYS HBx A 36 SER H 1.0 . 4.76 322 263 A 53 GLN HE22 A 35 LYS HBx 1.0 . 4.91 323 264 A 48 LYS H A 47 HIS H 1.0 . 3.83 324 265 A 33 LYS HA A 28 SER H 1.0 . 5.17 325 266 A 7 SER HBx A 10 HIS H 1.0 . 4.33 326 267 A 21 ASN HD22 A 21 ASN HA 1.0 . 5.50 327 268 A 2 PHE HBx A 3 GLY H 1.0 . 4.91 328 269 A 2 PHE HD% A 3 GLY H 1.0 . 5.31 329 270 A 3 GLY H A 2 PHE HA 1.0 . 3.08 330 271 A 2 PHE HBy A 3 GLY H 1.0 . 4.32 331 272 A 2 PHE HE% A 3 GLY H 1.0 . 5.30 332 273 A 42 GLU HA A 4 GLY H 1.0 . 4.79 333 274 A 4 GLY H A 3 GLY H 1.0 . 5.43 334 275 A 26 CYS HBy A 11 ASN HD21 1.0 . 3.91 335 276 A 11 ASN HD22 A 28 SER HA 1.0 . 4.82 336 277 A 11 ASN HD22 A 27 GLY H 1.0 . 5.33 337 278 A 13 CYS H A 26 CYS H 1.0 . 4.26 338 279 A 13 CYS H A 24 VAL HGx% 1.0 . 5.28 339 280 A 13 CYS H A 14 THR H 1.0 . 4.58 340 281 A 6 CYS HBx A 6 CYS H 1.0 . 3.92 341 282 A 6 CYS H A 5 GLU HGx 1.0 . 5.50 342 283 A 36 SER H A 35 LYS H 1.0 . 2.97 343 284 A 53 GLN HGy A 35 LYS H 1.0 . 5.50 344 285 A 52 CYS H A 54 THR H 1.0 . 5.36 345 286 A 39 HIS HBy A 37 ASP H 1.0 . 5.50 346 287 A 7 SER H A 8 LEU H 1.0 . 5.01 347 288 A 9 LYS HA A 8 LEU H 1.0 . 5.50 348 289 A 9 LYS H A 8 LEU H 1.0 . 3.24 349 290 A 15 TYR H A 14 THR H 1.0 . 5.10 350 291 A 22 HIS H A 15 TYR H 1.0 . 3.99 351 292 A 15 TYR H A 23 VAL H 1.0 . 5.50 352 293 A 15 TYR H A 15 TYR HD% 1.0 . 3.63 353 294 A 3 GLY H A 2 PHE H 1.0 . 5.44 354 295 A 38 ARG H A 39 HIS H 1.0 . 3.19 355 296 A 8 LEU HBx A 38 ARG H 1.0 . 5.09 356 297 A 34 CYS H A 11 ASN H 1.0 . 5.50 357 298 A 38 ARG H A 38 ARG HGy 1.0 . 3.94 358 299 A 54 THR HG2% A 53 GLN H 1.0 . 5.50 359 300 A 53 GLN HE21 A 35 LYS H 1.0 . 4.95 360 301 A 6 CYS HBx A 53 GLN H 1.0 . 5.50 361 302 A 53 GLN HGy A 53 GLN HE21 1.0 . 3.72 362 303 A 43 TYR H A 2 PHE HE% 1.0 . 4.63 363 304 A 43 TYR H A 51 ASP HBy 1.0 . 5.31 364 305 A 22 HIS H A 16 LEU H 1.0 . 5.50 365 306 A 22 HIS H A 22 HIS HD2 1.0 . 3.92 366 307 A 22 HIS H A 15 TYR HD% 1.0 . 5.02 367 308 A 43 TYR HA A 50 VAL H 1.0 . 5.50 368 309 A 45 GLU H A 44 ASP H 1.0 . 5.50 369 310 A 25 ASN H A 23 VAL HG1% 1.0 . 5.00 370 310 A 23 VAL HG2% A 25 ASN H 1.0 . 5.00 371 311 A 25 ASN H A 25 ASN HD22 1.0 . 5.05 372 312 A 40 HIS HD2 A 40 HIS H 1.0 . 4.84 373 313 A 2 PHE HE% A 2 PHE H 1.0 . 4.29 374 314 A 39 HIS HD2 A 40 HIS H 1.0 . 5.45 375 315 A 39 HIS H A 40 HIS H 1.0 . 4.80 376 316 A 26 CYS H A 25 ASN HD22 1.0 . 5.50 377 317 A 26 CYS H A 25 ASN HBx 1.0 . 4.65 378 318 A 19 GLY H A 16 LEU HB2 1.0 . 5.50 379 318 A 16 LEU HB3 A 19 GLY H 1.0 . 5.50 380 319 A 13 CYS H A 24 VAL H 1.0 . 3.47 381 320 A 24 VAL H A 23 VAL H 1.0 . 4.84 382 321 A 24 VAL H A 15 TYR HD% 1.0 . 4.97 383 322 A 34 CYS HBy A 7 SER H 1.0 . 5.50 384 323 A 7 SER H A 12 THR H 1.0 . 3.66 385 324 A 17 LYS H A 20 LYS H 1.0 . 3.56 386 325 A 17 LYS H A 22 HIS HD2 1.0 . 3.52 387 326 A 21 ASN H A 16 LEU HB2 1.0 . 3.87 388 326 A 16 LEU HB3 A 21 ASN H 1.0 . 3.87 389 327 A 11 ASN H A 8 LEU H 1.0 . 5.50 390 328 A 51 ASP H A 50 VAL H 1.0 . 5.09 391 329 A 51 ASP H A 52 CYS H 1.0 . 5.08 392 330 A 51 ASP H A 42 GLU H 1.0 . 4.08 393 331 A 9 LYS H A 8 LEU HDy% 1.0 . 5.41 394 332 A 9 LYS H A 10 HIS H 1.0 . 3.45 395 333 A 9 LYS H A 37 ASP HB2 1.0 . 5.11 396 333 A 37 ASP HB3 A 9 LYS H 1.0 . 5.11 397 334 A 16 LEU H A 3 GLY H 1.0 . 5.50 398 335 A 9 LYS H A 10 HIS HD2 1.0 . 5.29 399 336 A 44 ASP H A 46 HIS HD2 1.0 . 5.50 400 337 A 16 LEU H A 15 TYR HD% 1.0 . 4.12 401 338 A 15 TYR H A 16 LEU H 1.0 . 5.41 402 339 A 15 TYR HBx A 16 LEU H 1.0 . 3.81 403 340 A 17 LYS H A 16 LEU H 1.0 . 4.34 404 341 A 52 CYS H A 42 GLU H 1.0 . 5.50 405 342 A 43 TYR H A 42 GLU H 1.0 . 4.69 406 343 A 2 PHE HD% A 4 GLY H 1.0 . 5.16 407 344 A 4 GLY H A 2 PHE HE% 1.0 . 5.04 408 345 A 15 TYR HBx A 4 GLY H 1.0 . 4.21 409 346 A 22 HIS H A 23 VAL H 1.0 . 5.11 410 347 A 31 ASN H A 30 ALA H 1.0 . 4.03 411 348 A 31 ASN H A 31 ASN HD22 1.0 . 5.34 412 349 A 6 CYS H A 39 HIS H 1.0 . 4.54 413 350 A 37 ASP H A 39 HIS H 1.0 . 5.33 414 351 A 39 HIS H A 37 ASP HB2 1.0 . 5.23 415 351 A 37 ASP HB3 A 39 HIS H 1.0 . 5.23 416 352 A 6 CYS HBx A 39 HIS H 1.0 . 4.47 417 353 A 41 CYS H A 40 HIS H 1.0 . 4.87 418 354 A 41 CYS H A 4 GLY H 1.0 . 3.69 419 355 A 46 HIS H A 47 HIS H 1.0 . 5.50 420 356 A 5 GLU H A 6 CYS H 1.0 . 4.77 421 357 A 5 GLU H A 6 CYS HA 1.0 . 5.50 422 358 A 5 GLU H A 15 TYR H 1.0 . 5.50 423 359 A 29 ALA H A 30 ALA H 1.0 . 5.03 424 360 A 29 ALA H A 31 ASN H 1.0 . 5.06 425 361 A 29 ALA H A 33 LYS H 1.0 . 5.15 426 362 A 26 CYS HBy A 27 GLY H 1.0 . 4.58 427 363 A 48 LYS H A 47 HIS HBx 1.0 . 5.34 428 364 A 25 ASN HD22 A 11 ASN HBx 1.0 . 5.50 429 365 A 55 PRO HDy A 31 ASN HD21 1.0 . 5.50 430 366 A 10 HIS H A 8 LEU H 1.0 . 5.35 431 367 A 11 ASN H A 10 HIS H 1.0 . 3.19 432 368 A 31 ASN HD21 A 31 ASN H 1.0 . 4.90 433 369 A 10 HIS H A 10 HIS HD2 1.0 . 4.35 434 370 A 54 THR HB A 31 ASN HD21 1.0 . 5.50 435 371 A 17 LYS HA A 20 LYS H 1.0 . 5.50 436 372 A 20 LYS H A 19 GLY H 1.0 . 3.64 437 373 A 20 LYS H A 22 HIS HD2 1.0 . 5.07 438 374 A 50 VAL H A 49 ARG H 1.0 . 5.50 439 375 A 37 ASP H A 36 SER H 1.0 . 4.66 440 376 A 32 LYS H A 30 ALA H 1.0 . 5.25 441 377 A 32 LYS H A 31 ASN H 1.0 . 3.19 442 378 A 32 LYS H A 33 LYS H 1.0 . 2.79 443 379 A 39 HIS HBy A 36 SER H 1.0 . 4.83 444 380 A 32 LYS H A 29 ALA H 1.0 . 5.25 445 381 A 53 GLN HE22 A 36 SER H 1.0 . 5.15 446 382 A 32 LYS H A 31 ASN HBy 1.0 . 5.50 447 383 A 32 LYS H A 31 ASN HD22 1.0 . 5.50 448 384 A 52 CYS HBx A 33 LYS H 1.0 . 5.41 449 385 A 31 ASN H A 33 LYS H 1.0 . 4.42 450 386 A 2 PHE HD% A 16 LEU HG 1.0 . 5.39 451 387 A 30 ALA HA A 33 LYS H 1.0 . 5.50 452 388 A 2 PHE HD% A 43 TYR HBx 1.0 . 4.67 453 389 A 45 GLU H A 2 PHE HD% 1.0 . 5.50 454 390 A 46 HIS HD2 A 47 HIS HD2 1.0 . 5.50 455 391 A 2 PHE HD% A 2 PHE H 1.0 . 5.02 456 392 A 44 ASP HA A 2 PHE HE% 1.0 . 5.50 457 393 A 2 PHE HE% A 15 TYR HE% 1.0 . 5.48 458 394 A 41 CYS H A 39 HIS HD2 1.0 . 5.20 459 395 A 11 ASN HD21 A 28 SER HA 1.0 . 5.37 460 396 A 53 GLN HE22 A 53 GLN HB2 1.0 . 5.09 461 396 A 53 GLN HE22 A 53 GLN HB3 1.0 . 5.09 462 397 A 11 ASN HD21 A 26 CYS H 1.0 . 5.05 463 398 A 11 ASN HD21 A 25 ASN HD22 1.0 . 5.50 464 399 A 12 THR H A 10 HIS H 1.0 . 5.12 465 400 A 13 CYS H A 12 THR H 1.0 . 5.05 466 401 A 6 CYS HA A 12 THR H 1.0 . 5.13 467 402 A 34 CYS HBy A 53 GLN HE22 1.0 . 5.50 468 403 A 12 THR H A 10 HIS HBy 1.0 . 5.19 469 404 A 21 ASN HD21 A 16 LEU HB2 1.0 . 5.50 470 404 A 21 ASN HD21 A 16 LEU HB3 1.0 . 5.50 471 405 A 21 ASN HD21 A 14 THR HG2% 1.0 . 4.76 472 406 A 11 ASN H A 10 HIS HD2 1.0 . 5.50 473 407 A 25 ASN HD21 A 11 ASN HBx 1.0 . 5.50 474 408 A 25 ASN HD21 A 11 ASN HD21 1.0 . 5.50 475 409 A 15 TYR H A 22 HIS HD2 1.0 . 5.50 476 410 A 22 HIS HD2 A 15 TYR HD% 1.0 . 5.28 477 411 A 11 ASN HD22 A 28 SER H 1.0 . 5.50 478 412 A 11 ASN HD22 A 34 CYS H 1.0 . 4.96 479 413 A 11 ASN HD22 A 26 CYS H 1.0 . 5.50 480 414 A 11 ASN HD22 A 26 CYS HBx 1.0 . 4.42 481 415 A 11 ASN HD22 A 33 LYS HBx 1.0 . 4.58 482 416 A 11 ASN HD22 A 33 LYS H 1.0 . 5.31 483 417 A 21 ASN HD22 A 16 LEU HD1% 1.0 . 4.67 484 417 A 21 ASN HD22 A 16 LEU HD2% 1.0 . 4.67 485 418 A 51 ASP H A 43 TYR HDx 1.0 . 5.29 486 418 A 51 ASP H A 43 TYR HDy 1.0 . 5.29 487 419 A 50 VAL HGy% A 43 TYR HDx 1.0 . 5.03 488 419 A 50 VAL HGy% A 43 TYR HDy 1.0 . 5.03 489 420 A 21 ASN HD22 A 14 THR HG2% 1.0 . 4.99 490 421 A 21 ASN HD22 A 21 ASN HBx 1.0 . 3.53 491 422 A 2 PHE HE% A 43 TYR HDx 1.0 . 4.06 492 422 A 2 PHE HE% A 43 TYR HDy 1.0 . 4.06 493 423 A 50 VAL HGx% A 43 TYR HDy 1.0 . 3.78 494 423 A 50 VAL HGx% A 43 TYR HDx 1.0 . 3.78 495 424 A 43 TYR H A 43 TYR HDx 1.0 . 5.10 496 424 A 43 TYR H A 43 TYR HDy 1.0 . 5.10 497 425 A 50 VAL H A 43 TYR HDy 1.0 . 5.33 498 425 A 50 VAL H A 43 TYR HDx 1.0 . 5.33 499 426 A 46 HIS HD2 A 48 LYS HE2 1.0 . 5.50 500 426 A 48 LYS HE3 A 46 HIS HD2 1.0 . 5.50 501 427 A 47 HIS H A 46 HIS HD2 1.0 . 5.50 502 428 A 14 THR H A 15 TYR HD% 1.0 . 5.50 503 429 A 2 PHE HE% A 15 TYR HD% 1.0 . 4.27 504 430 A 43 TYR HBy A 15 TYR HD% 1.0 . 4.71 505 431 A 17 LYS H A 15 TYR HD% 1.0 . 5.42 506 432 A 2 PHE HD% A 15 TYR HD% 1.0 . 4.93 507 433 A 6 CYS HA A 7 SER H 1.0 . 2.94 508 434 A 12 THR HB A 6 CYS HA 1.0 . 5.50 509 435 A 6 CYS HA A 7 SER HBx 1.0 . 5.50 510 436 A 24 VAL H A 15 TYR HE% 1.0 . 5.47 511 437 A 43 TYR HDx A 15 TYR HE% 1.0 . 4.54 512 437 A 15 TYR HE% A 43 TYR HDy 1.0 . 4.54 513 438 A 24 VAL HGy% A 15 TYR HE% 1.0 . 4.75 514 439 A 2 PHE HD% A 15 TYR HE% 1.0 . 5.50 515 440 A 24 VAL HGx% A 15 TYR HE% 1.0 . 4.22 516 441 A 15 TYR H A 15 TYR HE% 1.0 . 5.50 517 442 A 43 TYR HBy A 15 TYR HE% 1.0 . 5.30 518 443 A 15 TYR HE% A 45 GLU HG2 1.0 . 5.50 519 443 A 45 GLU HG3 A 15 TYR HE% 1.0 . 5.50 520 444 A 23 VAL H A 15 TYR HE% 1.0 . 5.50 521 445 A 43 TYR HBx A 15 TYR HE% 1.0 . 5.41 522 446 A 50 VAL HGy% A 15 TYR HE% 1.0 . 4.63 523 447 A 22 HIS H A 15 TYR HE% 1.0 . 5.50 524 448 A 22 HIS HBy A 15 TYR HE% 1.0 . 4.46 525 449 A 22 HIS HBx A 15 TYR HE% 1.0 . 4.63 526 450 A 50 VAL HGx% A 15 TYR HE% 1.0 . 4.26 527 451 A 22 HIS HD2 A 15 TYR HE% 1.0 . 4.86 528 452 A 14 THR HA A 15 TYR HE% 1.0 . 5.50 529 453 A 14 THR HA A 15 TYR H 1.0 . 2.90 530 454 A 14 THR HA A 24 VAL H 1.0 . 4.23 531 455 A 14 THR HA A 23 VAL H 1.0 . 5.50 532 456 A 14 THR HA A 23 VAL HG1% 1.0 . 4.26 533 456 A 23 VAL HG2% A 14 THR HA 1.0 . 4.26 534 457 A 14 THR HA A 15 TYR HD% 1.0 . 4.26 535 458 A 14 THR HA A 15 TYR HBx 1.0 . 5.41 536 459 A 14 THR HA A 14 THR HG2% 1.0 . 3.41 537 460 A 14 THR HA A 13 CYS H 1.0 . 5.45 538 461 A 14 THR HA A 13 CYS HBy 1.0 . 5.40 539 462 A 41 CYS HA A 52 CYS H 1.0 . 5.50 540 463 A 41 CYS HA A 42 GLU H 1.0 . 3.04 541 464 A 41 CYS HA A 39 HIS HD2 1.0 . 5.50 542 465 A 41 CYS HA A 40 HIS HD2 1.0 . 5.50 543 466 A 15 TYR HA A 14 THR HG2% 1.0 . 5.04 544 467 A 15 TYR HA A 16 LEU H 1.0 . 2.79 545 468 A 15 TYR HA A 14 THR H 1.0 . 5.50 546 469 A 15 TYR HA A 15 TYR HD% 1.0 . 4.04 547 470 A 15 TYR HA A 2 PHE HBy 1.0 . 5.50 548 471 A 43 TYR HA A 51 ASP HBx 1.0 . 5.50 549 472 A 43 TYR HA A 44 ASP HBy 1.0 . 5.02 550 473 A 51 ASP H A 43 TYR HA 1.0 . 2.93 551 474 A 43 TYR HA A 50 VAL HGx% 1.0 . 3.53 552 475 A 43 TYR HA A 24 VAL HGy% 1.0 . 5.50 553 476 A 43 TYR HA A 43 TYR HDx 1.0 . 3.37 554 476 A 43 TYR HA A 43 TYR HDy 1.0 . 3.37 555 477 A 7 SER HA A 8 LEU H 1.0 . 2.71 556 478 A 7 SER HA A 10 HIS H 1.0 . 5.50 557 479 A 7 SER HA A 12 THR H 1.0 . 5.50 558 480 A 7 SER HA A 37 ASP HB2 1.0 . 5.13 559 480 A 7 SER HA A 37 ASP HB3 1.0 . 5.13 560 481 A 7 SER HA A 39 HIS H 1.0 . 5.31 561 482 A 6 CYS HA A 5 GLU HA 1.0 . 4.67 562 483 A 5 GLU HA A 6 CYS HBy 1.0 . 5.50 563 484 A 5 GLU HA A 6 CYS H 1.0 . 2.90 564 485 A 13 CYS H A 12 THR HA 1.0 . 2.87 565 486 A 12 THR HA A 26 CYS H 1.0 . 3.09 566 487 A 12 THR HA A 12 THR HG2% 1.0 . 3.36 567 488 A 12 THR HA A 25 ASN HD22 1.0 . 5.50 568 489 A 12 THR HA A 25 ASN HD21 1.0 . 5.33 569 490 A 12 THR HA A 26 CYS HBy 1.0 . 5.50 570 491 A 40 HIS HA A 5 GLU HGy 1.0 . 5.50 571 492 A 40 HIS HA A 5 GLU HGx 1.0 . 5.50 572 493 A 39 HIS HA A 40 HIS HA 1.0 . 5.50 573 494 A 40 HIS HA A 41 CYS H 1.0 . 2.86 574 495 A 40 HIS HA A 39 HIS HD2 1.0 . 4.21 575 496 A 40 HIS HA A 5 GLU HA 1.0 . 3.93 576 497 A 51 ASP HA A 52 CYS H 1.0 . 2.96 577 498 A 40 HIS HA A 39 HIS HBx 1.0 . 5.50 578 499 A 50 VAL HGy% A 51 ASP HA 1.0 . 5.45 579 500 A 3 GLY HAy A 2 PHE HE% 1.0 . 4.03 580 501 A 23 VAL HA A 13 CYS H 1.0 . 5.37 581 502 A 23 VAL HA A 15 TYR H 1.0 . 4.23 582 503 A 22 HIS H A 21 ASN HA 1.0 . 2.80 583 504 A 23 VAL HA A 24 VAL H 1.0 . 2.79 584 505 A 21 ASN HA A 22 HIS HD2 1.0 . 4.39 585 506 A 23 VAL HA A 15 TYR HD% 1.0 . 5.32 586 507 A 14 THR HB A 23 VAL HA 1.0 . 5.30 587 508 A 23 VAL HA A 22 HIS HBy 1.0 . 5.50 588 509 A 23 VAL HA A 14 THR HG2% 1.0 . 4.21 589 510 A 23 VAL HA A 23 VAL HG1% 1.0 . 3.56 590 510 A 23 VAL HG2% A 23 VAL HA 1.0 . 3.56 591 511 A 21 ASN HA A 16 LEU HG 1.0 . 5.27 592 512 A 6 CYS HA A 13 CYS HA 1.0 . 3.34 593 513 A 52 CYS HA A 41 CYS HBx 1.0 . 3.69 594 514 A 11 ASN HA A 7 SER H 1.0 . 5.00 595 515 A 11 ASN HA A 34 CYS H 1.0 . 4.31 596 516 A 31 ASN HA A 32 LYS HD2 1.0 . 5.50 597 516 A 32 LYS HD3 A 31 ASN HA 1.0 . 5.50 598 517 A 10 HIS HD2 A 10 HIS HA 1.0 . 5.50 599 518 A 30 ALA H A 31 ASN HA 1.0 . 5.50 600 519 A 32 LYS HA A 52 CYS H 1.0 . 5.50 601 520 A 32 LYS HA A 31 ASN H 1.0 . 5.43 602 521 A 32 LYS HA A 31 ASN HBy 1.0 . 5.07 603 522 A 32 LYS HA A 52 CYS HBy 1.0 . 5.47 604 523 A 24 VAL HA A 25 ASN H 1.0 . 2.61 605 524 A 25 ASN HA A 25 ASN HD22 1.0 . 4.61 606 525 A 25 ASN HA A 12 THR HG2% 1.0 . 3.40 607 526 A 25 ASN HA A 26 CYS H 1.0 . 2.77 608 527 A 20 LYS HA A 21 ASN H 1.0 . 2.90 609 528 A 24 VAL HA A 23 VAL H 1.0 . 5.50 610 529 A 24 VAL HA A 24 VAL HGy% 1.0 . 3.87 611 530 A 24 VAL HA A 24 VAL HGx% 1.0 . 3.66 612 531 A 20 LYS HA A 22 HIS HD2 1.0 . 5.50 613 532 A 36 SER HA A 37 ASP H 1.0 . 2.60 614 533 A 8 LEU HDx% A 36 SER HA 1.0 . 4.26 615 534 A 36 SER HA A 8 LEU HDy% 1.0 . 3.97 616 535 A 55 PRO HA A 56 VAL H 1.0 . 3.05 617 536 A 36 SER HA A 39 HIS HBy 1.0 . 4.35 618 537 A 4 GLY HAy A 16 LEU H 1.0 . 5.39 619 538 A 5 GLU H A 4 GLY HAy 1.0 . 3.28 620 539 A 4 GLY HAy A 15 TYR HBx 1.0 . 4.69 621 540 A 17 LYS HA A 22 HIS HD2 1.0 . 5.50 622 541 A 4 GLY HAy A 15 TYR HD% 1.0 . 5.13 623 542 A 4 GLY HAy A 5 GLU HGx 1.0 . 5.50 624 543 A 4 GLY HAy A 2 PHE HE% 1.0 . 4.72 625 544 A 33 LYS HA A 11 ASN HD21 1.0 . 5.25 626 545 A 33 LYS HA A 11 ASN HBy 1.0 . 4.20 627 546 A 33 LYS HA A 11 ASN HBx 1.0 . 4.37 628 547 A 37 ASP HA A 8 LEU HBx 1.0 . 3.35 629 548 A 37 ASP HA A 7 SER H 1.0 . 5.06 630 549 A 37 ASP HA A 9 LYS H 1.0 . 5.50 631 550 A 55 PRO HDx A 54 THR HA 1.0 . 3.34 632 551 A 54 THR HA A 54 THR HG2% 1.0 . 3.55 633 552 A 37 ASP HA A 8 LEU H 1.0 . 3.13 634 553 A 37 ASP HA A 39 HIS H 1.0 . 3.86 635 554 A 37 ASP HA A 38 ARG HA 1.0 . 5.03 636 555 A 37 ASP HA A 37 ASP HB2 1.0 . 2.95 637 555 A 37 ASP HB3 A 37 ASP HA 1.0 . 2.95 638 556 A 4 GLY HAx A 15 TYR H 1.0 . 5.50 639 557 A 4 GLY HAx A 15 TYR HD% 1.0 . 5.50 640 558 A 8 LEU HDx% A 35 LYS HA 1.0 . 5.08 641 559 A 35 LYS HA A 8 LEU HDy% 1.0 . 3.54 642 560 A 4 GLY HAx A 16 LEU H 1.0 . 5.08 643 561 A 4 GLY HAx A 5 GLU H 1.0 . 3.07 644 562 A 34 CYS HA A 53 GLN HB2 1.0 . 3.50 645 562 A 34 CYS HA A 53 GLN HB3 1.0 . 3.50 646 563 A 34 CYS HA A 35 LYS H 1.0 . 2.83 647 564 A 34 CYS HA A 52 CYS HBy 1.0 . 4.12 648 565 A 46 HIS HA A 48 LYS H 1.0 . 5.40 649 566 A 22 HIS HA A 23 VAL H 1.0 . 2.78 650 567 A 22 HIS HA A 22 HIS HD2 1.0 . 4.64 651 568 A 22 HIS HA A 23 VAL HG1% 1.0 . 4.51 652 568 A 23 VAL HG2% A 22 HIS HA 1.0 . 4.51 653 569 A 28 SER HA A 33 LYS H 1.0 . 5.50 654 570 A 26 CYS HA A 24 VAL HGy% 1.0 . 5.50 655 571 A 26 CYS HA A 52 CYS H 1.0 . 5.50 656 572 A 29 ALA HA A 30 ALA H 1.0 . 3.56 657 573 A 26 CYS HA A 27 GLY H 1.0 . 3.11 658 574 A 26 CYS HA A 50 VAL HB 1.0 . 3.64 659 575 A 26 CYS HA A 50 VAL HGx% 1.0 . 4.10 660 576 A 26 CYS HA A 25 ASN H 1.0 . 5.50 661 577 A 54 THR HB A 54 THR H 1.0 . 3.68 662 578 A 54 THR HB A 51 ASP HBx 1.0 . 5.50 663 579 A 19 GLY HAy A 16 LEU HD1% 1.0 . 4.90 664 579 A 16 LEU HD2% A 19 GLY HAy 1.0 . 4.90 665 580 A 39 HIS HA A 40 HIS HD2 1.0 . 4.08 666 581 A 39 HIS HA A 40 HIS H 1.0 . 2.78 667 582 A 39 HIS HA A 40 HIS HBy 1.0 . 5.40 668 583 A 39 HIS HA A 6 CYS H 1.0 . 5.50 669 584 A 7 SER HBy A 10 HIS HBy 1.0 . 5.21 670 585 A 7 SER HBy A 8 LEU H 1.0 . 4.34 671 586 A 7 SER HBy A 7 SER H 1.0 . 3.82 672 587 A 7 SER HBy A 10 HIS H 1.0 . 5.31 673 588 A 7 SER HBy A 12 THR H 1.0 . 4.14 674 589 A 7 SER HBy A 6 CYS HA 1.0 . 5.17 675 590 A 7 SER HBy A 11 ASN H 1.0 . 5.15 676 591 A 7 SER HBy A 9 LYS H 1.0 . 5.50 677 592 A 7 SER HBy A 10 HIS HD2 1.0 . 4.83 678 593 A 14 THR HB A 15 TYR H 1.0 . 4.75 679 594 A 14 THR HB A 14 THR H 1.0 . 3.28 680 595 A 14 THR HB A 5 GLU H 1.0 . 4.18 681 596 A 12 THR HB A 26 CYS H 1.0 . 5.50 682 597 A 12 THR HB A 24 VAL H 1.0 . 3.98 683 598 A 38 ARG HA A 38 ARG HDx 1.0 . 5.15 684 599 A 12 THR HB A 13 CYS H 1.0 . 2.97 685 600 A 38 ARG HDy A 38 ARG HA 1.0 . 4.82 686 601 A 53 GLN HA A 53 GLN HGy 1.0 . 3.58 687 602 A 38 ARG HA A 38 ARG H 1.0 . 2.90 688 603 A 38 ARG HA A 39 HIS H 1.0 . 3.52 689 604 A 38 ARG HA A 37 ASP HB2 1.0 . 5.25 690 604 A 37 ASP HB3 A 38 ARG HA 1.0 . 5.25 691 605 A 38 ARG HA A 38 ARG HB2 1.0 . 2.99 692 605 A 38 ARG HB3 A 38 ARG HA 1.0 . 2.99 693 606 A 14 THR HB A 5 GLU HBy 1.0 . 3.76 694 607 A 38 ARG HA A 38 ARG HGy 1.0 . 3.79 695 608 A 38 ARG HA A 38 ARG HGx 1.0 . 3.79 696 609 A 2 PHE HD% A 3 GLY HAx 1.0 . 5.50 697 610 A 2 PHE HE% A 3 GLY HAx 1.0 . 5.50 698 611 A 26 CYS HBy A 52 CYS HBy 1.0 . 4.63 699 612 A 34 CYS HBx A 52 CYS HBy 1.0 . 5.50 700 613 A 4 GLY H A 3 GLY HAx 1.0 . 3.43 701 614 A 20 LYS H A 18 GLY HAy 1.0 . 5.50 702 614 A 20 LYS H A 18 GLY HAx 1.0 . 5.50 703 615 A 28 SER HBy A 28 SER H 1.0 . 3.56 704 616 A 29 ALA H A 28 SER HBy 1.0 . 4.51 705 617 A 55 PRO HDy A 54 THR HG2% 1.0 . 5.05 706 618 A 55 PRO HDy A 54 THR H 1.0 . 4.88 707 619 A 30 ALA HA A 29 ALA HA 1.0 . 5.50 708 620 A 10 HIS HBx A 7 SER HBx 1.0 . 3.57 709 621 A 7 SER H A 7 SER HBx 1.0 . 3.40 710 622 A 12 THR H A 7 SER HBx 1.0 . 3.38 711 623 A 7 SER HBx A 10 HIS HBy 1.0 . 4.42 712 624 A 11 ASN H A 7 SER HBx 1.0 . 4.20 713 625 A 7 SER HBx A 8 LEU H 1.0 . 4.93 714 626 A 7 SER HBx A 10 HIS HD2 1.0 . 4.95 715 627 A 28 SER HBx A 29 ALA H 1.0 . 4.68 716 628 A 28 SER HBx A 28 SER H 1.0 . 3.55 717 629 A 31 ASN HA A 33 LYS HE2 1.0 . 3.85 718 629 A 31 ASN HA A 33 LYS HE3 1.0 . 3.85 719 630 A 48 LYS HA A 48 LYS H 1.0 . 2.85 720 631 A 33 LYS HE3 A 33 LYS HG2 1.0 . 3.74 721 631 A 33 LYS HE2 A 33 LYS HG2 1.0 . 3.74 722 631 A 33 LYS HG3 A 33 LYS HE2 1.0 . 3.74 723 631 A 33 LYS HG3 A 33 LYS HE3 1.0 . 3.74 724 632 A 11 ASN HD22 A 27 GLY HAx 1.0 . 5.50 725 633 A 36 SER H A 36 SER HB2 1.0 . 3.79 726 633 A 36 SER HB3 A 36 SER H 1.0 . 3.79 727 634 A 28 SER H A 27 GLY HAx 1.0 . 2.99 728 635 A 55 PRO HDx A 54 THR HG2% 1.0 . 4.34 729 636 A 8 LEU HA A 34 CYS H 1.0 . 4.90 730 637 A 8 LEU HA A 11 ASN H 1.0 . 4.35 731 638 A 55 PRO HDx A 31 ASN HD21 1.0 . 4.68 732 639 A 8 LEU HG A 8 LEU HA 1.0 . 4.13 733 640 A 8 LEU HA A 35 LYS H 1.0 . 5.50 734 641 A 8 LEU HA A 37 ASP H 1.0 . 4.62 735 642 A 8 LEU HA A 36 SER H 1.0 . 3.88 736 643 A 8 LEU HA A 33 LYS HBy 1.0 . 5.50 737 644 A 8 LEU HA A 36 SER HA 1.0 . 5.50 738 645 A 39 HIS HBy A 40 HIS H 1.0 . 4.65 739 646 A 39 HIS HBy A 39 HIS H 1.0 . 3.02 740 647 A 52 CYS HBx A 53 GLN H 1.0 . 4.30 741 648 A 34 CYS HA A 52 CYS HBx 1.0 . 5.50 742 649 A 52 CYS HBx A 52 CYS H 1.0 . 3.69 743 650 A 19 GLY HAx A 16 LEU HB2 1.0 . 5.22 744 650 A 16 LEU HB3 A 19 GLY HAx 1.0 . 5.22 745 651 A 19 GLY HAx A 16 LEU HD1% 1.0 . 4.37 746 651 A 16 LEU HD2% A 19 GLY HAx 1.0 . 4.37 747 652 A 45 GLU HA A 47 HIS H 1.0 . 5.34 748 653 A 39 HIS HBx A 40 HIS H 1.0 . 5.02 749 654 A 39 HIS HBx A 39 HIS H 1.0 . 3.19 750 655 A 39 HIS HBx A 36 SER H 1.0 . 4.71 751 656 A 39 HIS HBx A 6 CYS H 1.0 . 5.37 752 657 A 34 CYS HBy A 33 LYS HDy 1.0 . 5.50 753 658 A 34 CYS HBy A 35 LYS H 1.0 . 4.82 754 659 A 34 CYS HBy A 34 CYS H 1.0 . 3.34 755 660 A 34 CYS HBy A 11 ASN H 1.0 . 5.36 756 661 A 11 ASN HBy A 34 CYS H 1.0 . 3.95 757 662 A 26 CYS HBy A 26 CYS H 1.0 . 3.75 758 663 A 41 CYS HBy A 6 CYS HBy 1.0 . 4.12 759 664 A 11 ASN HBy A 33 LYS HBx 1.0 . 5.42 760 665 A 41 CYS HBy A 6 CYS H 1.0 . 5.07 761 666 A 26 CYS HBy A 25 ASN HD21 1.0 . 5.44 762 667 A 11 ASN HD22 A 26 CYS HBy 1.0 . 4.08 763 668 A 41 CYS HBy A 6 CYS HA 1.0 . 5.21 764 669 A 41 CYS HBy A 42 GLU H 1.0 . 4.04 765 670 A 26 CYS HBy A 25 ASN HD22 1.0 . 5.50 766 671 A 48 LYS H A 47 HIS HBy 1.0 . 5.50 767 672 A 37 ASP HA A 38 ARG HDy 1.0 . 5.50 768 673 A 11 ASN H A 10 HIS HBy 1.0 . 4.85 769 674 A 10 HIS H A 10 HIS HBy 1.0 . 3.99 770 675 A 12 THR HG2% A 10 HIS HBy 1.0 . 3.66 771 676 A 2 PHE HBy A 2 PHE H 1.0 . 3.98 772 677 A 2 PHE HBy A 16 LEU H 1.0 . 5.24 773 678 A 2 PHE HBy A 15 TYR HD% 1.0 . 3.53 774 679 A 2 PHE HBy A 15 TYR HE% 1.0 . 5.50 775 680 A 49 ARG HA A 49 ARG HDx 1.0 . 4.87 776 681 A 50 VAL H A 49 ARG HDx 1.0 . 5.50 777 682 A 40 HIS HBy A 40 HIS H 1.0 . 3.09 778 683 A 40 HIS HBy A 41 CYS H 1.0 . 4.77 779 684 A 26 CYS HBx A 27 GLY H 1.0 . 4.04 780 685 A 26 CYS HBx A 26 CYS H 1.0 . 3.58 781 686 A 26 CYS HBx A 11 ASN HD21 1.0 . 4.31 782 687 A 30 ALA HB% A 31 ASN HBy 1.0 . 4.57 783 688 A 26 CYS HBx A 11 ASN HBx 1.0 . 5.50 784 689 A 26 CYS HBx A 50 VAL HGx% 1.0 . 5.50 785 690 A 31 ASN HD21 A 31 ASN HBy 1.0 . 3.55 786 691 A 31 ASN HD22 A 31 ASN HBy 1.0 . 4.00 787 692 A 31 ASN H A 31 ASN HBy 1.0 . 4.03 788 693 A 34 CYS HBx A 36 SER H 1.0 . 5.09 789 694 A 34 CYS HBx A 35 LYS H 1.0 . 5.46 790 695 A 34 CYS HBx A 6 CYS HA 1.0 . 5.50 791 696 A 34 CYS HBx A 8 LEU HDx% 1.0 . 5.42 792 697 A 48 LYS HBy A 48 LYS HE2 1.0 . 5.35 793 697 A 48 LYS HE3 A 48 LYS HBy 1.0 . 5.35 794 698 A 46 HIS HBy A 45 GLU HB2 1.0 . 5.50 795 698 A 45 GLU HB3 A 46 HIS HBy 1.0 . 5.50 796 699 A 52 CYS H A 41 CYS HBx 1.0 . 5.50 797 700 A 42 GLU H A 41 CYS HBx 1.0 . 3.47 798 701 A 46 HIS HBy A 46 HIS H 1.0 . 4.11 799 702 A 40 HIS HA A 41 CYS HBx 1.0 . 5.50 800 703 A 20 LYS HB2 A 20 LYS HE2 1.0 . 5.50 801 703 A 20 LYS HB3 A 20 LYS HE2 1.0 . 5.50 802 703 A 20 LYS HE3 A 20 LYS HB2 1.0 . 5.50 803 703 A 20 LYS HE3 A 20 LYS HB3 1.0 . 5.50 804 704 A 20 LYS H A 20 LYS HE2 1.0 . 4.30 805 704 A 20 LYS HE3 A 20 LYS H 1.0 . 4.30 806 705 A 6 CYS HBx A 7 SER H 1.0 . 4.12 807 706 A 6 CYS HBx A 52 CYS HBy 1.0 . 4.92 808 707 A 15 TYR HBy A 16 LEU H 1.0 . 3.44 809 708 A 51 ASP HBy A 42 GLU H 1.0 . 4.58 810 709 A 26 CYS H A 25 ASN HBy 1.0 . 4.24 811 710 A 25 ASN HBy A 25 ASN H 1.0 . 3.41 812 711 A 13 CYS HBy A 50 VAL HGx% 1.0 . 4.41 813 712 A 51 ASP H A 51 ASP HBy 1.0 . 3.75 814 713 A 50 VAL HGy% A 25 ASN HBy 1.0 . 4.55 815 714 A 13 CYS H A 13 CYS HBy 1.0 . 3.61 816 715 A 13 CYS HBy A 24 VAL HGx% 1.0 . 5.12 817 716 A 8 LEU HBy A 9 LYS HE2 1.0 . 4.81 818 716 A 8 LEU HBy A 9 LYS HE3 1.0 . 4.81 819 717 A 10 HIS HBx A 10 HIS H 1.0 . 3.42 820 718 A 10 HIS HBx A 10 HIS HD2 1.0 . 3.77 821 719 A 10 HIS HBx A 12 THR H 1.0 . 4.29 822 720 A 9 LYS HGy A 9 LYS HE2 1.0 . 3.76 823 720 A 9 LYS HGy A 9 LYS HE3 1.0 . 3.76 824 721 A 8 LEU HDx% A 9 LYS HE2 1.0 . 4.69 825 721 A 8 LEU HDx% A 9 LYS HE3 1.0 . 4.69 826 722 A 48 LYS H A 44 ASP HBy 1.0 . 5.48 827 723 A 48 LYS HA A 44 ASP HBy 1.0 . 5.50 828 724 A 45 GLU HA A 44 ASP HBy 1.0 . 5.23 829 725 A 31 ASN H A 31 ASN HBx 1.0 . 3.68 830 726 A 31 ASN HD21 A 31 ASN HBx 1.0 . 3.81 831 727 A 32 LYS H A 31 ASN HBx 1.0 . 5.50 832 728 A 25 ASN HBx A 25 ASN H 1.0 . 3.07 833 729 A 25 ASN HBx A 25 ASN HD22 1.0 . 3.74 834 730 A 37 ASP H A 37 ASP HB2 1.0 . 2.59 835 730 A 37 ASP HB3 A 37 ASP H 1.0 . 2.59 836 731 A 8 LEU H A 37 ASP HB2 1.0 . 3.76 837 731 A 37 ASP HB3 A 8 LEU H 1.0 . 3.76 838 732 A 38 ARG H A 37 ASP HB2 1.0 . 3.93 839 732 A 37 ASP HB3 A 38 ARG H 1.0 . 3.93 840 733 A 51 ASP HBx A 52 CYS H 1.0 . 4.88 841 734 A 51 ASP H A 51 ASP HBx 1.0 . 3.90 842 735 A 51 ASP HBx A 42 GLU H 1.0 . 5.02 843 736 A 51 ASP HBx A 42 GLU HB2 1.0 . 5.50 844 736 A 51 ASP HBx A 42 GLU HB3 1.0 . 5.50 845 737 A 22 HIS H A 21 ASN HBy 1.0 . 4.65 846 738 A 21 ASN HBy A 21 ASN H 1.0 . 3.27 847 739 A 21 ASN HD21 A 21 ASN HBy 1.0 . 3.66 848 740 A 11 ASN HD22 A 11 ASN HBx 1.0 . 4.06 849 741 A 11 ASN HD21 A 11 ASN HBx 1.0 . 3.55 850 742 A 45 GLU H A 44 ASP HBx 1.0 . 5.50 851 743 A 22 HIS H A 22 HIS HBy 1.0 . 4.03 852 744 A 22 HIS HBy A 23 VAL H 1.0 . 3.67 853 745 A 15 TYR HBx A 2 PHE HE% 1.0 . 4.07 854 746 A 56 VAL H A 55 PRO HBx 1.0 . 4.50 855 747 A 5 GLU HGy A 6 CYS H 1.0 . 5.50 856 748 A 5 GLU H A 5 GLU HGy 1.0 . 4.49 857 749 A 43 TYR H A 43 TYR HBy 1.0 . 3.84 858 750 A 45 GLU H A 45 GLU HG2 1.0 . 5.50 859 750 A 45 GLU H A 45 GLU HG3 1.0 . 5.50 860 751 A 2 PHE HD% A 45 GLU HG2 1.0 . 5.50 861 751 A 2 PHE HD% A 45 GLU HG3 1.0 . 5.50 862 752 A 15 TYR HD% A 45 GLU HG2 1.0 . 4.13 863 752 A 45 GLU HG3 A 15 TYR HD% 1.0 . 4.13 864 753 A 53 GLN HGy A 54 THR H 1.0 . 5.07 865 754 A 14 THR H A 5 GLU HGx 1.0 . 5.50 866 755 A 5 GLU H A 5 GLU HGx 1.0 . 4.64 867 756 A 53 GLN HGx A 35 LYS H 1.0 . 5.50 868 757 A 38 ARG HDx A 38 ARG HB2 1.0 . 3.66 869 757 A 38 ARG HB3 A 38 ARG HDx 1.0 . 3.66 870 758 A 39 HIS H A 38 ARG HB2 1.0 . 4.43 871 758 A 38 ARG HB3 A 39 HIS H 1.0 . 4.43 872 759 A 21 ASN HD21 A 21 ASN HBx 1.0 . 4.01 873 760 A 21 ASN HBx A 21 ASN H 1.0 . 3.86 874 761 A 32 LYS HBy A 33 LYS H 1.0 . 4.57 875 762 A 32 LYS HBy A 52 CYS H 1.0 . 4.93 876 763 A 29 ALA H A 32 LYS HBy 1.0 . 4.55 877 764 A 32 LYS H A 32 LYS HBy 1.0 . 3.91 878 765 A 26 CYS HBy A 50 VAL HB 1.0 . 5.50 879 766 A 21 ASN HBx A 23 VAL HG1% 1.0 . 4.81 880 766 A 23 VAL HG2% A 21 ASN HBx 1.0 . 4.81 881 767 A 38 ARG H A 38 ARG HB2 1.0 . 3.45 882 767 A 38 ARG HB3 A 38 ARG H 1.0 . 3.45 883 768 A 50 VAL HB A 27 GLY H 1.0 . 4.46 884 769 A 43 TYR HA A 50 VAL HB 1.0 . 5.24 885 770 A 50 VAL H A 50 VAL HB 1.0 . 3.43 886 771 A 35 LYS HDy A 35 LYS H 1.0 . 5.27 887 772 A 43 TYR H A 43 TYR HBx 1.0 . 3.59 888 773 A 43 TYR HBx A 2 PHE HE% 1.0 . 4.07 889 774 A 43 TYR HBx A 15 TYR HD% 1.0 . 4.75 890 775 A 56 VAL H A 56 VAL HB 1.0 . 4.00 891 776 A 54 THR H A 56 VAL HB 1.0 . 5.50 892 777 A 46 HIS HD2 A 45 GLU HB2 1.0 . 4.49 893 777 A 45 GLU HB3 A 46 HIS HD2 1.0 . 4.49 894 778 A 48 LYS HBx A 48 LYS HE2 1.0 . 5.50 895 778 A 48 LYS HE3 A 48 LYS HBx 1.0 . 5.50 896 779 A 24 VAL HB A 25 ASN H 1.0 . 3.35 897 780 A 13 CYS HBx A 24 VAL HB 1.0 . 5.50 898 781 A 51 ASP HBy A 42 GLU HB2 1.0 . 5.24 899 781 A 51 ASP HBy A 42 GLU HB3 1.0 . 5.24 900 782 A 24 VAL HB A 15 TYR HD% 1.0 . 5.50 901 783 A 24 VAL HB A 15 TYR HE% 1.0 . 4.84 902 784 A 34 CYS HBy A 33 LYS HBy 1.0 . 4.60 903 785 A 33 LYS HBy A 33 LYS HDy 1.0 . 4.01 904 786 A 5 GLU HBy A 6 CYS H 1.0 . 4.24 905 787 A 33 LYS HBy A 34 CYS H 1.0 . 3.42 906 788 A 5 GLU H A 5 GLU HBy 1.0 . 3.77 907 789 A 11 ASN HD22 A 33 LYS HBy 1.0 . 4.51 908 790 A 33 LYS HBy A 33 LYS H 1.0 . 3.95 909 791 A 31 ASN HD21 A 32 LYS HD2 1.0 . 5.50 910 791 A 31 ASN HD21 A 32 LYS HD3 1.0 . 5.50 911 792 A 31 ASN HD22 A 32 LYS HD2 1.0 . 5.50 912 792 A 32 LYS HD3 A 31 ASN HD22 1.0 . 5.50 913 793 A 52 CYS H A 32 LYS HD2 1.0 . 5.50 914 793 A 32 LYS HD3 A 52 CYS H 1.0 . 5.50 915 794 A 32 LYS H A 32 LYS HD2 1.0 . 4.85 916 794 A 32 LYS H A 32 LYS HD3 1.0 . 4.85 917 795 A 44 ASP HBy A 49 ARG HB2 1.0 . 4.31 918 795 A 44 ASP HBy A 49 ARG HB3 1.0 . 4.31 919 796 A 50 VAL H A 49 ARG HB2 1.0 . 4.28 920 796 A 50 VAL H A 49 ARG HB3 1.0 . 4.28 921 797 A 23 VAL HB A 23 VAL H 1.0 . 3.15 922 798 A 23 VAL HB A 24 VAL HGx% 1.0 . 5.50 923 799 A 8 LEU HBy A 37 ASP H 1.0 . 4.41 924 800 A 8 LEU HBy A 8 LEU H 1.0 . 3.02 925 801 A 24 VAL H A 23 VAL HB 1.0 . 4.87 926 802 A 8 LEU HBy A 9 LYS H 1.0 . 3.25 927 803 A 48 LYS H A 48 LYS HD2 1.0 . 5.41 928 803 A 48 LYS H A 48 LYS HD3 1.0 . 5.41 929 804 A 8 LEU HBy A 37 ASP HB2 1.0 . 3.48 930 804 A 37 ASP HB3 A 8 LEU HBy 1.0 . 3.48 931 805 A 5 GLU HBx A 6 CYS H 1.0 . 3.93 932 806 A 8 LEU HDx% A 8 LEU HBy 1.0 . 3.39 933 807 A 29 ALA H A 33 LYS HBx 1.0 . 5.50 934 808 A 33 LYS HBx A 28 SER HA 1.0 . 5.23 935 809 A 35 LYS HBy A 36 SER H 1.0 . 4.06 936 810 A 35 LYS HBy A 35 LYS H 1.0 . 4.04 937 811 A 33 LYS HBx A 33 LYS H 1.0 . 3.39 938 812 A 19 GLY HAy A 20 LYS HB2 1.0 . 5.38 939 812 A 19 GLY HAy A 20 LYS HB3 1.0 . 5.38 940 813 A 16 LEU H A 16 LEU HB2 1.0 . 3.05 941 813 A 16 LEU HB3 A 16 LEU H 1.0 . 3.05 942 814 A 15 TYR HD% A 16 LEU HB2 1.0 . 5.50 943 814 A 16 LEU HB3 A 15 TYR HD% 1.0 . 5.50 944 815 A 20 LYS H A 16 LEU HB2 1.0 . 3.15 945 815 A 16 LEU HB3 A 20 LYS H 1.0 . 3.15 946 816 A 22 HIS HD2 A 16 LEU HB2 1.0 . 4.29 947 816 A 16 LEU HB3 A 22 HIS HD2 1.0 . 4.29 948 817 A 17 LYS H A 16 LEU HB2 1.0 . 3.91 949 817 A 16 LEU HB3 A 17 LYS H 1.0 . 3.91 950 818 A 20 LYS HA A 16 LEU HB2 1.0 . 4.84 951 818 A 16 LEU HB3 A 20 LYS HA 1.0 . 4.84 952 819 A 32 LYS HBx A 31 ASN H 1.0 . 5.46 953 820 A 39 HIS H A 38 ARG HGy 1.0 . 5.50 954 821 A 38 ARG HGy A 37 ASP HB2 1.0 . 4.43 955 821 A 37 ASP HB3 A 38 ARG HGy 1.0 . 4.43 956 822 A 29 ALA H A 32 LYS HBx 1.0 . 3.80 957 823 A 32 LYS HBx A 33 LYS H 1.0 . 3.94 958 824 A 48 LYS HA A 49 ARG HG2 1.0 . 5.50 959 824 A 48 LYS HA A 49 ARG HG3 1.0 . 5.50 960 825 A 32 LYS H A 32 LYS HBx 1.0 . 3.32 961 826 A 47 HIS HBx A 49 ARG HG2 1.0 . 5.38 962 826 A 49 ARG HG3 A 47 HIS HBx 1.0 . 5.38 963 827 A 35 LYS HBx A 35 LYS H 1.0 . 3.55 964 828 A 8 LEU H A 9 LYS HBy 1.0 . 5.37 965 829 A 9 LYS H A 9 LYS HBy 1.0 . 3.00 966 830 A 10 HIS H A 9 LYS HBy 1.0 . 4.19 967 831 A 10 HIS HD2 A 9 LYS HBy 1.0 . 4.92 968 832 A 38 ARG H A 38 ARG HGx 1.0 . 4.38 969 833 A 30 ALA HB% A 33 LYS H 1.0 . 5.31 970 834 A 29 ALA H A 29 ALA HB% 1.0 . 2.96 971 835 A 32 LYS H A 30 ALA HB% 1.0 . 3.86 972 836 A 30 ALA HB% A 31 ASN HD22 1.0 . 5.50 973 837 A 31 ASN H A 30 ALA HB% 1.0 . 3.33 974 838 A 31 ASN HD21 A 30 ALA HB% 1.0 . 5.50 975 839 A 29 ALA HB% A 30 ALA H 1.0 . 3.12 976 840 A 30 ALA HB% A 31 ASN HBx 1.0 . 5.32 977 841 A 8 LEU HG A 9 LYS H 1.0 . 4.35 978 842 A 8 LEU HG A 37 ASP H 1.0 . 5.50 979 843 A 8 LEU HG A 8 LEU H 1.0 . 4.58 980 844 A 8 LEU HG A 9 LYS HE2 1.0 . 3.84 981 844 A 8 LEU HG A 9 LYS HE3 1.0 . 3.84 982 845 A 8 LEU HG A 37 ASP HB2 1.0 . 5.05 983 845 A 8 LEU HG A 37 ASP HB3 1.0 . 5.05 984 846 A 53 GLN HE21 A 35 LYS HGy 1.0 . 4.76 985 847 A 35 LYS H A 35 LYS HGy 1.0 . 4.50 986 848 A 53 GLN HE22 A 35 LYS HGy 1.0 . 5.50 987 849 A 36 SER H A 35 LYS HGy 1.0 . 5.50 988 850 A 48 LYS H A 48 LYS HG2 1.0 . 3.74 989 850 A 48 LYS HG3 A 48 LYS H 1.0 . 3.74 990 851 A 22 HIS HBx A 23 VAL H 1.0 . 4.42 991 852 A 15 TYR H A 22 HIS HBx 1.0 . 4.79 992 853 A 22 HIS H A 22 HIS HBx 1.0 . 3.56 993 854 A 22 HIS HD2 A 22 HIS HBx 1.0 . 3.93 994 855 A 22 HIS HBx A 15 TYR HD% 1.0 . 4.79 995 856 A 21 ASN H A 20 LYS HG2 1.0 . 5.17 996 856 A 20 LYS HG3 A 21 ASN H 1.0 . 5.17 997 857 A 20 LYS H A 20 LYS HG2 1.0 . 4.51 998 857 A 20 LYS HG3 A 20 LYS H 1.0 . 4.51 999 858 A 31 ASN HD22 A 32 LYS HG2 1.0 . 5.50 1000 858 A 31 ASN HD22 A 32 LYS HG3 1.0 . 5.50 1001 859 A 29 ALA H A 32 LYS HG2 1.0 . 5.28 1002 859 A 29 ALA H A 32 LYS HG3 1.0 . 5.28 1003 860 A 31 ASN H A 32 LYS HG2 1.0 . 4.88 1004 860 A 31 ASN H A 32 LYS HG3 1.0 . 4.88 1005 861 A 32 LYS H A 32 LYS HG2 1.0 . 3.72 1006 861 A 32 LYS H A 32 LYS HG3 1.0 . 3.72 1007 862 A 8 LEU HDx% A 35 LYS HGx 1.0 . 3.24 1008 863 A 53 GLN HE22 A 35 LYS HGx 1.0 . 4.55 1009 864 A 35 LYS HGx A 35 LYS H 1.0 . 4.40 1010 865 A 52 CYS HA A 54 THR HG2% 1.0 . 4.62 1011 866 A 54 THR HG2% A 52 CYS H 1.0 . 5.50 1012 867 A 31 ASN HD21 A 54 THR HG2% 1.0 . 5.50 1013 868 A 54 THR HG2% A 54 THR H 1.0 . 3.72 1014 869 A 54 THR HG2% A 51 ASP HBx 1.0 . 5.08 1015 870 A 54 THR HG2% A 56 VAL HG1% 1.0 . 4.58 1016 870 A 56 VAL HG2% A 54 THR HG2% 1.0 . 4.58 1017 871 A 9 LYS HBx A 10 HIS H 1.0 . 3.64 1018 872 A 9 LYS HBx A 10 HIS HD2 1.0 . 4.21 1019 873 A 8 LEU HBx A 37 ASP H 1.0 . 3.87 1020 874 A 8 LEU HBx A 8 LEU H 1.0 . 3.08 1021 875 A 8 LEU HBx A 37 ASP HB2 1.0 . 3.30 1022 875 A 37 ASP HB3 A 8 LEU HBx 1.0 . 3.30 1023 876 A 50 VAL HGy% A 43 TYR HBy 1.0 . 5.50 1024 877 A 8 LEU HDx% A 8 LEU HBx 1.0 . 4.01 1025 878 A 8 LEU HBx A 8 LEU HDy% 1.0 . 3.81 1026 879 A 51 ASP H A 50 VAL HGy% 1.0 . 4.22 1027 880 A 50 VAL HGy% A 13 CYS H 1.0 . 5.50 1028 881 A 50 VAL HGy% A 50 VAL H 1.0 . 3.91 1029 882 A 50 VAL HGy% A 27 GLY H 1.0 . 5.50 1030 883 A 50 VAL HGy% A 24 VAL HB 1.0 . 5.50 1031 884 A 50 VAL HGx% A 41 CYS HBx 1.0 . 5.43 1032 885 A 50 VAL HGx% A 42 GLU H 1.0 . 5.50 1033 886 A 50 VAL HGx% A 15 TYR HD% 1.0 . 4.52 1034 887 A 43 TYR HBy A 50 VAL HGx% 1.0 . 4.73 1035 888 A 50 VAL HGx% A 52 CYS H 1.0 . 5.50 1036 889 A 51 ASP H A 50 VAL HGx% 1.0 . 3.86 1037 890 A 50 VAL HGx% A 43 TYR HBx 1.0 . 5.50 1038 891 A 12 THR HG2% A 25 ASN H 1.0 . 4.98 1039 892 A 13 CYS H A 12 THR HG2% 1.0 . 4.15 1040 893 A 26 CYS H A 12 THR HG2% 1.0 . 4.28 1041 894 A 24 VAL H A 12 THR HG2% 1.0 . 5.20 1042 895 A 9 LYS HGy A 9 LYS H 1.0 . 4.49 1043 896 A 12 THR HG2% A 25 ASN HD22 1.0 . 5.34 1044 897 A 9 LYS HGy A 10 HIS H 1.0 . 5.50 1045 898 A 12 THR HG2% A 12 THR H 1.0 . 3.93 1046 899 A 25 ASN HD21 A 12 THR HG2% 1.0 . 4.80 1047 900 A 26 CYS HBy A 12 THR HG2% 1.0 . 5.50 1048 901 A 12 THR HG2% A 25 ASN HBx 1.0 . 5.50 1049 902 A 22 HIS H A 14 THR HG2% 1.0 . 4.26 1050 903 A 14 THR HG2% A 14 THR H 1.0 . 4.67 1051 904 A 14 THR HG2% A 23 VAL H 1.0 . 5.50 1052 905 A 5 GLU H A 14 THR HG2% 1.0 . 5.30 1053 906 A 14 THR HG2% A 21 ASN HBx 1.0 . 3.59 1054 907 A 15 TYR H A 14 THR HG2% 1.0 . 3.91 1055 908 A 14 THR HG2% A 15 TYR HD% 1.0 . 5.50 1056 909 A 21 ASN HBy A 14 THR HG2% 1.0 . 4.19 1057 910 A 8 LEU HDx% A 34 CYS H 1.0 . 4.39 1058 911 A 8 LEU HDx% A 35 LYS H 1.0 . 5.50 1059 912 A 8 LEU HDx% A 8 LEU H 1.0 . 4.54 1060 913 A 8 LEU HDx% A 9 LYS H 1.0 . 4.92 1061 914 A 8 LEU HDx% A 36 SER H 1.0 . 5.11 1062 915 A 9 LYS HA A 8 LEU HDx% 1.0 . 5.50 1063 916 A 8 LEU HDx% A 33 LYS HDy 1.0 . 5.50 1064 917 A 9 LYS H A 9 LYS HGx 1.0 . 4.93 1065 918 A 10 HIS HD2 A 9 LYS HGx 1.0 . 5.50 1066 919 A 15 TYR H A 23 VAL HG1% 1.0 . 5.50 1067 919 A 23 VAL HG2% A 15 TYR H 1.0 . 5.50 1068 920 A 22 HIS H A 23 VAL HG1% 1.0 . 5.50 1069 920 A 23 VAL HG2% A 22 HIS H 1.0 . 5.50 1070 921 A 23 VAL H A 23 VAL HG1% 1.0 . 3.56 1071 921 A 23 VAL HG2% A 23 VAL H 1.0 . 3.56 1072 922 A 14 THR H A 23 VAL HG1% 1.0 . 5.50 1073 922 A 23 VAL HG2% A 14 THR H 1.0 . 5.50 1074 923 A 56 VAL H A 56 VAL HG1% 1.0 . 3.92 1075 923 A 56 VAL HG2% A 56 VAL H 1.0 . 3.92 1076 924 A 24 VAL H A 23 VAL HG1% 1.0 . 3.67 1077 924 A 23 VAL HG2% A 24 VAL H 1.0 . 3.67 1078 925 A 55 PRO HBy A 56 VAL HG1% 1.0 . 5.50 1079 925 A 56 VAL HG2% A 55 PRO HBy 1.0 . 5.50 1080 926 A 13 CYS H A 23 VAL HG1% 1.0 . 4.40 1081 926 A 23 VAL HG2% A 13 CYS H 1.0 . 4.40 1082 927 A 22 HIS H A 16 LEU HD1% 1.0 . 5.28 1083 927 A 22 HIS H A 16 LEU HD2% 1.0 . 5.28 1084 928 A 21 ASN HD21 A 16 LEU HD1% 1.0 . 5.36 1085 928 A 21 ASN HD21 A 16 LEU HD2% 1.0 . 5.36 1086 929 A 22 HIS HD2 A 16 LEU HD1% 1.0 . 5.50 1087 929 A 16 LEU HD2% A 22 HIS HD2 1.0 . 5.50 1088 930 A 19 GLY H A 16 LEU HD1% 1.0 . 4.64 1089 930 A 16 LEU HD2% A 19 GLY H 1.0 . 4.64 1090 931 A 21 ASN H A 16 LEU HD1% 1.0 . 5.30 1091 931 A 16 LEU HD2% A 21 ASN H 1.0 . 5.30 1092 932 A 16 LEU H A 16 LEU HD1% 1.0 . 4.65 1093 932 A 16 LEU HD2% A 16 LEU H 1.0 . 4.65 1094 933 A 16 LEU HB3 A 16 LEU HD1% 1.0 . 3.58 1095 933 A 16 LEU HB2 A 16 LEU HD1% 1.0 . 3.58 1096 933 A 16 LEU HD2% A 16 LEU HB2 1.0 . 3.58 1097 933 A 16 LEU HB3 A 16 LEU HD2% 1.0 . 3.58 1098 934 A 17 LYS H A 16 LEU HD1% 1.0 . 4.14 1099 934 A 17 LYS H A 16 LEU HD2% 1.0 . 4.14 1100 935 A 20 LYS H A 16 LEU HD1% 1.0 . 4.26 1101 935 A 16 LEU HD2% A 20 LYS H 1.0 . 4.26 1102 936 A 8 LEU HDy% A 37 ASP H 1.0 . 4.25 1103 937 A 8 LEU HDy% A 38 ARG H 1.0 . 5.50 1104 938 A 8 LEU HDy% A 36 SER H 1.0 . 4.50 1105 939 A 34 CYS HBx A 8 LEU HDy% 1.0 . 5.26 1106 940 A 8 LEU HBy A 8 LEU HDy% 1.0 . 4.10 1107 941 A 8 LEU HDy% A 35 LYS H 1.0 . 5.50 1108 942 A 8 LEU HDy% A 8 LEU H 1.0 . 4.67 1109 943 A 8 LEU HDy% A 37 ASP HB2 1.0 . 4.65 1110 943 A 37 ASP HB3 A 8 LEU HDy% 1.0 . 4.65 1111 944 A 24 VAL HGy% A 15 TYR HD% 1.0 . 4.60 1112 945 A 43 TYR HBy A 24 VAL HGy% 1.0 . 4.75 1113 946 A 50 VAL HB A 24 VAL HGy% 1.0 . 5.50 1114 947 A 13 CYS H A 24 VAL HGy% 1.0 . 4.58 1115 948 A 24 VAL HGy% A 25 ASN H 1.0 . 3.92 1116 949 A 24 VAL HGy% A 26 CYS H 1.0 . 5.50 1117 950 A 24 VAL H A 24 VAL HGy% 1.0 . 3.82 1118 951 A 13 CYS HBy A 24 VAL HGy% 1.0 . 4.43 1119 952 A 24 VAL HGy% A 43 TYR HDx 1.0 . 4.66 1120 952 A 24 VAL HGy% A 43 TYR HDy 1.0 . 4.66 1121 953 A 24 VAL HGy% A 22 HIS HBx 1.0 . 5.50 1122 954 A 50 VAL HGy% A 24 VAL HGy% 1.0 . 5.50 1123 955 A 24 VAL HGx% A 25 ASN H 1.0 . 4.50 1124 956 A 24 VAL HGx% A 22 HIS HBy 1.0 . 5.50 1125 957 A 43 TYR HBy A 24 VAL HGx% 1.0 . 4.92 1126 958 A 24 VAL HGx% A 43 TYR HBx 1.0 . 5.50 1127 959 A 24 VAL H A 24 VAL HGx% 1.0 . 3.90 1128 960 A 24 VAL HGx% A 23 VAL H 1.0 . 5.50 1129 961 A 24 VAL HGx% A 15 TYR HD% 1.0 . 4.41 1130 962 A 24 VAL HGx% A 43 TYR HDx 1.0 . 4.90 1131 962 A 24 VAL HGx% A 43 TYR HDy 1.0 . 4.90 stop_ save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 2 PHE C A 3 GLY N A 3 GLY CA A 3 GLY C 1.0 -182.342 -11.384 PHI 2 2 A 3 GLY N A 3 GLY CA A 3 GLY C A 4 GLY N 1.0 137.609 182.291 PSI 3 3 A 3 GLY C A 4 GLY N A 4 GLY CA A 4 GLY C 1.0 -212.037 -38.233 PHI 4 4 A 4 GLY N A 4 GLY CA A 4 GLY C A 5 GLU N 1.0 108.142 193.934 PSI 5 5 A 4 GLY C A 5 GLU N A 5 GLU CA A 5 GLU C 1.0 -128.513 -112.793 PHI 6 6 A 5 GLU N A 5 GLU CA A 5 GLU C A 6 CYS N 1.0 123.613 149.205 PSI 7 7 A 5 GLU C A 6 CYS N A 6 CYS CA A 6 CYS C 1.0 -147.794 -124.136 PHI 8 8 A 6 CYS N A 6 CYS CA A 6 CYS C A 7 SER N 1.0 146.166 167.366 PSI 9 9 A 6 CYS C A 7 SER N A 7 SER CA A 7 SER C 1.0 -164.364 -45.428 PHI 10 10 A 7 SER N A 7 SER CA A 7 SER C A 8 LEU N 1.0 154.637 179.459 PSI 11 11 A 7 SER C A 8 LEU N A 8 LEU CA A 8 LEU C 1.0 -75.056 -49.980 PHI 12 12 A 8 LEU N A 8 LEU CA A 8 LEU C A 9 LYS N 1.0 -42.871 -13.419 PSI 13 13 A 8 LEU C A 9 LYS N A 9 LYS CA A 9 LYS C 1.0 -76.436 -57.920 PHI 14 14 A 9 LYS N A 9 LYS CA A 9 LYS C A 10 HIS N 1.0 -44.645 -30.219 PSI 15 15 A 9 LYS C A 10 HIS N A 10 HIS CA A 10 HIS C 1.0 -112.052 -84.376 PHI 16 16 A 10 HIS N A 10 HIS CA A 10 HIS C A 11 ASN N 1.0 -14.546 6.110 PSI 17 17 A 10 HIS C A 11 ASN N A 11 ASN CA A 11 ASN C 1.0 -143.566 -24.282 PHI 18 18 A 11 ASN N A 11 ASN CA A 11 ASN C A 12 THR N 1.0 80.436 161.650 PSI 19 19 A 11 ASN C A 12 THR N A 12 THR CA A 12 THR C 1.0 -124.734 -96.144 PHI 20 20 A 12 THR N A 12 THR CA A 12 THR C A 13 CYS N 1.0 136.781 156.425 PSI 21 21 A 12 THR C A 13 CYS N A 13 CYS CA A 13 CYS C 1.0 -150.569 -124.443 PHI 22 22 A 13 CYS N A 13 CYS CA A 13 CYS C A 14 THR N 1.0 120.353 153.725 PSI 23 23 A 13 CYS C A 14 THR N A 14 THR CA A 14 THR C 1.0 -129.888 -79.326 PHI 24 24 A 14 THR N A 14 THR CA A 14 THR C A 15 TYR N 1.0 115.631 142.099 PSI 25 25 A 14 THR C A 15 TYR N A 15 TYR CA A 15 TYR C 1.0 -157.081 -123.617 PHI 26 26 A 15 TYR N A 15 TYR CA A 15 TYR C A 16 LEU N 1.0 132.238 173.486 PSI 27 27 A 15 TYR C A 16 LEU N A 16 LEU CA A 16 LEU C 1.0 -124.928 -89.030 PHI 28 28 A 16 LEU N A 16 LEU CA A 16 LEU C A 17 LYS N 1.0 115.625 148.817 PSI 29 29 A 16 LEU C A 17 LYS N A 17 LYS CA A 17 LYS C 1.0 -141.069 -81.039 PHI 30 30 A 17 LYS N A 17 LYS CA A 17 LYS C A 18 GLY N 1.0 95.684 159.016 PSI 31 31 A 17 LYS C A 18 GLY N A 18 GLY CA A 18 GLY C 1.0 -14.815 108.521 PHI 32 32 A 18 GLY N A 18 GLY CA A 18 GLY C A 19 GLY N 1.0 -197.876 -97.086 PSI 33 33 A 19 GLY C A 20 LYS N A 20 LYS CA A 20 LYS C 1.0 -147.953 -105.481 PHI 34 34 A 20 LYS N A 20 LYS CA A 20 LYS C A 21 ASN N 1.0 135.007 163.093 PSI 35 35 A 20 LYS C A 21 ASN N A 21 ASN CA A 21 ASN C 1.0 -116.011 -71.599 PHI 36 36 A 21 ASN N A 21 ASN CA A 21 ASN C A 22 HIS N 1.0 120.080 153.402 PSI 37 37 A 21 ASN C A 22 HIS N A 22 HIS CA A 22 HIS C 1.0 -140.385 -95.115 PHI 38 38 A 22 HIS N A 22 HIS CA A 22 HIS C A 23 VAL N 1.0 114.511 167.563 PSI 39 39 A 22 HIS C A 23 VAL N A 23 VAL CA A 23 VAL C 1.0 -143.189 -106.191 PHI 40 40 A 23 VAL N A 23 VAL CA A 23 VAL C A 24 VAL N 1.0 113.294 149.018 PSI 41 41 A 23 VAL C A 24 VAL N A 24 VAL CA A 24 VAL C 1.0 -148.593 -107.029 PHI 42 42 A 24 VAL N A 24 VAL CA A 24 VAL C A 25 ASN N 1.0 124.456 165.068 PSI 43 43 A 24 VAL C A 25 ASN N A 25 ASN CA A 25 ASN C 1.0 -98.231 -65.539 PHI 44 44 A 25 ASN N A 25 ASN CA A 25 ASN C A 26 CYS N 1.0 130.140 153.116 PSI 45 45 A 25 ASN C A 26 CYS N A 26 CYS CA A 26 CYS C 1.0 -154.825 -97.505 PHI 46 46 A 26 CYS N A 26 CYS CA A 26 CYS C A 27 GLY N 1.0 124.442 147.832 PSI 47 47 A 27 GLY C A 28 SER N A 28 SER CA A 28 SER C 1.0 -96.667 -62.551 PHI 48 48 A 28 SER N A 28 SER CA A 28 SER C A 29 ALA N 1.0 127.881 173.827 PSI 49 49 A 28 SER C A 29 ALA N A 29 ALA CA A 29 ALA C 1.0 -92.420 -51.236 PHI 50 50 A 29 ALA N A 29 ALA CA A 29 ALA C A 30 ALA N 1.0 -46.634 6.494 PSI 51 51 A 29 ALA C A 30 ALA N A 30 ALA CA A 30 ALA C 1.0 -77.266 -56.692 PHI 52 52 A 30 ALA N A 30 ALA CA A 30 ALA C A 31 ASN N 1.0 -41.803 -26.085 PSI 53 53 A 30 ALA C A 31 ASN N A 31 ASN CA A 31 ASN C 1.0 -100.039 -62.659 PHI 54 54 A 31 ASN N A 31 ASN CA A 31 ASN C A 32 LYS N 1.0 -15.491 9.923 PSI 55 55 A 32 LYS C A 33 LYS N A 33 LYS CA A 33 LYS C 1.0 -159.577 -86.577 PHI 56 56 A 33 LYS N A 33 LYS CA A 33 LYS C A 34 CYS N 1.0 137.414 164.720 PSI 57 57 A 33 LYS C A 34 CYS N A 34 CYS CA A 34 CYS C 1.0 -154.187 -117.967 PHI 58 58 A 34 CYS N A 34 CYS CA A 34 CYS C A 35 LYS N 1.0 159.400 181.788 PSI 59 59 A 35 LYS C A 36 SER N A 36 SER CA A 36 SER C 1.0 -140.816 -85.586 PHI 60 60 A 36 SER N A 36 SER CA A 36 SER C A 37 ASP N 1.0 99.661 154.447 PSI 61 61 A 36 SER C A 37 ASP N A 37 ASP CA A 37 ASP C 1.0 -66.707 -51.529 PHI 62 62 A 37 ASP N A 37 ASP CA A 37 ASP C A 38 ARG N 1.0 -47.258 -22.826 PSI 63 63 A 37 ASP C A 38 ARG N A 38 ARG CA A 38 ARG C 1.0 -73.257 -56.631 PHI 64 64 A 38 ARG N A 38 ARG CA A 38 ARG C A 39 HIS N 1.0 -48.823 -8.713 PSI 65 65 A 39 HIS C A 40 HIS N A 40 HIS CA A 40 HIS C 1.0 -105.256 -65.648 PHI 66 66 A 40 HIS N A 40 HIS CA A 40 HIS C A 41 CYS N 1.0 113.011 154.037 PSI 67 67 A 40 HIS C A 41 CYS N A 41 CYS CA A 41 CYS C 1.0 -144.617 -111.761 PHI 68 68 A 41 CYS N A 41 CYS CA A 41 CYS C A 42 GLU N 1.0 151.286 169.696 PSI 69 69 A 41 CYS C A 42 GLU N A 42 GLU CA A 42 GLU C 1.0 -145.890 -132.432 PHI 70 70 A 42 GLU N A 42 GLU CA A 42 GLU C A 43 TYR N 1.0 144.067 161.421 PSI 71 71 A 42 GLU C A 43 TYR N A 43 TYR CA A 43 TYR C 1.0 -141.958 -115.922 PHI 72 72 A 43 TYR N A 43 TYR CA A 43 TYR C A 44 ASP N 1.0 114.560 139.460 PSI 73 73 A 43 TYR C A 44 ASP N A 44 ASP CA A 44 ASP C 1.0 -131.004 -86.058 PHI 74 74 A 44 ASP N A 44 ASP CA A 44 ASP C A 45 GLU N 1.0 59.077 165.823 PSI 75 75 A 44 ASP C A 45 GLU N A 45 GLU CA A 45 GLU C 1.0 -65.987 -57.117 PHI 76 76 A 45 GLU N A 45 GLU CA A 45 GLU C A 46 HIS N 1.0 -37.135 -12.385 PSI 77 77 A 45 GLU C A 46 HIS N A 46 HIS CA A 46 HIS C 1.0 -80.658 -59.794 PHI 78 78 A 46 HIS N A 46 HIS CA A 46 HIS C A 47 HIS N 1.0 -35.830 -21.910 PSI 79 79 A 46 HIS C A 47 HIS N A 47 HIS CA A 47 HIS C 1.0 -100.347 -84.499 PHI 80 80 A 47 HIS N A 47 HIS CA A 47 HIS C A 48 LYS N 1.0 -3.567 15.263 PSI 81 81 A 47 HIS C A 48 LYS N A 48 LYS CA A 48 LYS C 1.0 48.976 75.380 PHI 82 82 A 48 LYS N A 48 LYS CA A 48 LYS C A 49 ARG N 1.0 25.063 54.609 PSI 83 83 A 48 LYS C A 49 ARG N A 49 ARG CA A 49 ARG C 1.0 -134.399 -106.959 PHI 84 84 A 49 ARG N A 49 ARG CA A 49 ARG C A 50 VAL N 1.0 128.732 153.084 PSI 85 85 A 49 ARG C A 50 VAL N A 50 VAL CA A 50 VAL C 1.0 -135.758 -106.274 PHI 86 86 A 50 VAL N A 50 VAL CA A 50 VAL C A 51 ASP N 1.0 119.955 148.713 PSI 87 87 A 50 VAL C A 51 ASP N A 51 ASP CA A 51 ASP C 1.0 -129.899 -96.223 PHI 88 88 A 51 ASP N A 51 ASP CA A 51 ASP C A 52 CYS N 1.0 121.320 142.748 PSI 89 89 A 51 ASP C A 52 CYS N A 52 CYS CA A 52 CYS C 1.0 -146.889 -106.489 PHI 90 90 A 52 CYS N A 52 CYS CA A 52 CYS C A 53 GLN N 1.0 153.863 181.027 PSI 91 91 A 52 CYS C A 53 GLN N A 53 GLN CA A 53 GLN C 1.0 -132.560 -86.072 PHI 92 92 A 53 GLN N A 53 GLN CA A 53 GLN C A 54 THR N 1.0 110.482 161.684 PSI 93 93 A 53 GLN C A 54 THR N A 54 THR CA A 54 THR C 1.0 -123.961 -70.683 PHI 94 94 A 54 THR N A 54 THR CA A 54 THR C A 55 PRO N 1.0 92.113 151.017 PSI 95 95 A 55 PRO N A 55 PRO CA A 55 PRO C A 56 VAL N 1.0 133.416 155.632 PSI stop_ save_