data_nef_c34349_6qet 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 6QET 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 9 CYS SG 1 38 CYS SG 1 9 CYS SG 1 31 CYS SG 1 16 CYS SG 1 31 CYS SG 1 23 CYS SG 1 39 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 ASP start . . 2 A 2 THR middle . . 3 A 3 THR middle . . 4 A 4 SER middle . . 5 A 5 ASP middle . . 6 A 6 PHE middle . . 7 A 7 HIS middle . . 8 A 8 THR middle . . 9 A 9 CYS middle -HG . 10 A 10 GLN middle . . 11 A 11 ASP middle . . 12 A 12 LYS middle . . 13 A 13 GLY middle . false 14 A 14 GLY middle . false 15 A 15 HIS middle . . 16 A 16 CYS middle -HG . 17 A 17 VAL middle . . 18 A 18 SER middle . . 19 A 19 PRO middle . false 20 A 20 LYS middle . . 21 A 21 ILE middle . . 22 A 22 ARG middle . . 23 A 23 CYS middle -HG . 24 A 24 LEU middle . . 25 A 25 GLU middle . . 26 A 26 GLU middle . . 27 A 27 GLN middle . . 28 A 28 LEU middle . . 29 A 29 GLY middle . false 30 A 30 LEU middle . . 31 A 31 CYS middle -HG . 32 A 32 PRO middle . false 33 A 33 LEU middle . . 34 A 34 LYS middle . . 35 A 35 ARG middle . . 36 A 36 TRP middle . . 37 A 37 THR middle . . 38 A 38 CYS middle -HG . 39 A 39 CYS middle -HG . 40 A 40 LYS middle . . 41 A 41 GLU middle . . 42 A 42 ILE end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 ASP HA H 1 4.346 0.000 A 1 ASP HB2 H 1 2.810 0.000 A 1 ASP HB3 H 1 2.867 0.000 A 1 ASP CA C 13 50.687 0.000 A 1 ASP CB C 13 37.179 0.000 A 2 THR H H 1 8.718 0.000 A 2 THR HA H 1 4.438 0.000 A 2 THR HB H 1 4.268 0.000 A 2 THR HG2% H 1 1.221 0.000 A 2 THR CA C 13 59.562 0.000 A 2 THR CB C 13 66.944 0.000 A 2 THR CG2 C 13 18.868 0.000 A 2 THR N N 15 114.580 0.000 A 3 THR H H 1 8.251 0.000 A 3 THR HA H 1 4.305 0.000 A 3 THR HB H 1 4.230 0.000 A 3 THR HG2% H 1 1.185 0.000 A 3 THR CA C 13 59.704 0.000 A 3 THR CB C 13 66.947 0.000 A 3 THR CG2 C 13 18.957 0.000 A 3 THR N N 15 116.216 0.000 A 4 SER H H 1 8.251 0.000 A 4 SER HA H 1 4.341 0.000 A 4 SER HB2 H 1 3.769 0.000 A 4 SER HB3 H 1 3.697 0.000 A 4 SER CA C 13 55.811 0.000 A 4 SER CB C 13 61.012 0.000 A 4 SER N N 15 117.744 0.000 A 5 ASP H H 1 8.096 0.000 A 5 ASP HA H 1 4.536 0.000 A 5 ASP HB2 H 1 2.501 0.000 A 5 ASP HB3 H 1 2.598 0.000 A 5 ASP CA C 13 51.189 0.000 A 5 ASP CB C 13 38.040 0.000 A 5 ASP N N 15 121.812 0.000 A 6 PHE H H 1 8.026 0.000 A 6 PHE HA H 1 4.562 0.000 A 6 PHE HB2 H 1 2.882 0.000 A 6 PHE HB3 H 1 3.100 0.000 A 6 PHE HD1 H 1 7.173 0.000 A 6 PHE HD2 H 1 7.173 0.000 A 6 PHE HE1 H 1 7.305 0.000 A 6 PHE HE2 H 1 7.305 0.000 A 6 PHE HZ H 1 7.275 0.000 A 6 PHE CA C 13 54.569 0.000 A 6 PHE CB C 13 36.238 0.000 A 6 PHE CD1 C 13 129.019 0.000 A 6 PHE CD2 C 13 129.019 0.000 A 6 PHE CE1 C 13 128.832 0.000 A 6 PHE CE2 C 13 128.832 0.000 A 6 PHE CZ C 13 127.193 0.000 A 6 PHE N N 15 120.145 0.000 A 7 HIS H H 1 8.341 0.000 A 7 HIS HA H 1 4.902 0.000 A 7 HIS HB2 H 1 3.161 0.000 A 7 HIS HB3 H 1 3.243 0.000 A 7 HIS HD2 H 1 7.277 0.000 A 7 HIS HE1 H 1 8.573 0.000 A 7 HIS CA C 13 52.759 0.000 A 7 HIS CB C 13 26.785 0.000 A 7 HIS CD2 C 13 117.500 0.000 A 7 HIS CE1 C 13 133.684 0.000 A 7 HIS N N 15 117.428 0.000 A 8 THR HA H 1 4.346 0.000 A 8 THR HB H 1 4.600 0.000 A 8 THR HG2% H 1 1.323 0.000 A 8 THR CA C 13 59.810 0.000 A 8 THR CB C 13 67.786 0.000 A 8 THR CG2 C 13 19.742 0.000 A 9 CYS H H 1 8.694 0.000 A 9 CYS HA H 1 4.130 0.000 A 9 CYS HB2 H 1 2.658 0.000 A 9 CYS HB3 H 1 2.853 0.000 A 9 CYS CA C 13 56.452 0.000 A 9 CYS CB C 13 36.889 0.000 A 9 CYS N N 15 120.196 0.000 A 10 GLN H H 1 8.730 0.000 A 10 GLN HA H 1 4.175 0.000 A 10 GLN HB2 H 1 2.062 0.000 A 10 GLN HB3 H 1 2.016 0.000 A 10 GLN HE21 H 1 6.788 0.000 A 10 GLN HE22 H 1 7.613 0.000 A 10 GLN HG2 H 1 2.491 0.000 A 10 GLN HG3 H 1 2.385 0.000 A 10 GLN CA C 13 56.157 0.000 A 10 GLN CB C 13 25.412 0.000 A 10 GLN CG C 13 31.367 0.000 A 10 GLN N N 15 118.185 0.000 A 10 GLN NE2 N 15 111.884 0.000 A 11 ASP H H 1 8.051 0.000 A 11 ASP HA H 1 4.411 0.000 A 11 ASP HB2 H 1 2.941 0.000 A 11 ASP HB3 H 1 2.730 0.000 A 11 ASP CA C 13 54.253 0.000 A 11 ASP CB C 13 37.628 0.000 A 11 ASP N N 15 121.398 0.000 A 12 LYS H H 1 7.324 0.000 A 12 LYS HA H 1 4.402 0.000 A 12 LYS HB2 H 1 1.748 0.000 A 12 LYS HB3 H 1 2.040 0.000 A 12 LYS HD2 H 1 1.553 0.000 A 12 LYS HD3 H 1 1.553 0.000 A 12 LYS HE2 H 1 2.797 0.000 A 12 LYS HE3 H 1 2.891 0.000 A 12 LYS HG2 H 1 1.396 0.000 A 12 LYS HG3 H 1 1.507 0.000 A 12 LYS CA C 13 52.065 0.000 A 12 LYS CB C 13 29.022 0.000 A 12 LYS CD C 13 25.464 0.000 A 12 LYS CE C 13 39.011 0.000 A 12 LYS CG C 13 21.697 0.000 A 12 LYS N N 15 116.430 0.000 A 13 GLY H H 1 7.832 0.000 A 13 GLY HA2 H 1 4.172 0.000 A 13 GLY HA3 H 1 3.800 0.000 A 13 GLY CA C 13 43.088 0.000 A 13 GLY N N 15 107.673 0.000 A 14 GLY H H 1 7.865 0.000 A 14 GLY HA2 H 1 4.374 0.000 A 14 GLY HA3 H 1 3.221 0.000 A 14 GLY CA C 13 41.200 0.000 A 14 GLY N N 15 106.909 0.000 A 15 HIS H H 1 8.577 0.000 A 15 HIS HA H 1 4.806 0.000 A 15 HIS HB2 H 1 2.945 0.000 A 15 HIS HB3 H 1 3.153 0.000 A 15 HIS HD2 H 1 7.150 0.000 A 15 HIS HE1 H 1 8.577 0.000 A 15 HIS CA C 13 51.219 0.000 A 15 HIS CB C 13 28.461 0.000 A 15 HIS CD2 C 13 117.434 0.000 A 15 HIS CE1 C 13 133.682 0.000 A 15 HIS N N 15 114.486 0.000 A 16 CYS H H 1 9.140 0.000 A 16 CYS HA H 1 5.467 0.000 A 16 CYS HB2 H 1 3.199 0.000 A 16 CYS HB3 H 1 3.322 0.000 A 16 CYS CA C 13 54.951 0.000 A 16 CYS CB C 13 41.904 0.000 A 16 CYS N N 15 124.895 0.000 A 17 VAL H H 1 9.583 0.000 A 17 VAL HA H 1 4.676 0.000 A 17 VAL HB H 1 2.014 0.000 A 17 VAL HG1% H 1 0.858 0.000 A 17 VAL HG2% H 1 0.859 0.000 A 17 VAL CA C 13 56.602 0.000 A 17 VAL CB C 13 32.552 0.000 A 17 VAL CG1 C 13 16.711 0.000 A 17 VAL CG2 C 13 16.711 0.000 A 17 VAL N N 15 120.699 0.000 A 18 SER H H 1 7.315 0.000 A 18 SER HA H 1 2.203 0.000 A 18 SER HB2 H 1 2.844 0.000 A 18 SER HB3 H 1 3.437 0.000 A 18 SER CA C 13 52.882 0.000 A 18 SER CB C 13 59.715 0.000 A 18 SER N N 15 119.344 0.000 A 19 PRO HA H 1 4.404 0.000 A 19 PRO HB2 H 1 2.343 0.000 A 19 PRO HB3 H 1 2.343 0.000 A 19 PRO HD2 H 1 3.255 0.000 A 19 PRO HD3 H 1 2.725 0.000 A 19 PRO HG2 H 1 1.811 0.000 A 19 PRO HG3 H 1 1.812 0.000 A 19 PRO CA C 13 61.521 0.000 A 19 PRO CB C 13 29.101 0.000 A 19 PRO CD C 13 47.381 0.000 A 19 PRO CG C 13 24.745 0.000 A 20 LYS H H 1 7.548 0.000 A 20 LYS HA H 1 4.063 0.000 A 20 LYS HB2 H 1 1.508 0.000 A 20 LYS HB3 H 1 1.803 0.000 A 20 LYS HD2 H 1 1.588 0.000 A 20 LYS HD3 H 1 1.588 0.000 A 20 LYS HE2 H 1 2.922 0.000 A 20 LYS HE3 H 1 2.922 0.000 A 20 LYS HG2 H 1 1.313 0.000 A 20 LYS HG3 H 1 1.313 0.000 A 20 LYS CA C 13 54.024 0.000 A 20 LYS CB C 13 29.769 0.000 A 20 LYS CD C 13 26.053 0.000 A 20 LYS CE C 13 39.096 0.000 A 20 LYS CG C 13 22.492 0.000 A 20 LYS N N 15 115.422 0.000 A 21 ILE H H 1 7.619 0.000 A 21 ILE HA H 1 4.027 0.000 A 21 ILE HB H 1 1.885 0.000 A 21 ILE HD1% H 1 0.685 0.000 A 21 ILE HG12 H 1 1.178 0.000 A 21 ILE HG13 H 1 1.231 0.000 A 21 ILE HG2% H 1 0.767 0.000 A 21 ILE CA C 13 56.193 0.000 A 21 ILE CB C 13 35.238 0.000 A 21 ILE CD1 C 13 8.172 0.000 A 21 ILE CG1 C 13 24.566 0.000 A 21 ILE CG2 C 13 14.506 0.000 A 21 ILE N N 15 121.948 0.000 A 22 ARG H H 1 8.288 0.000 A 22 ARG HA H 1 4.248 0.000 A 22 ARG HB2 H 1 1.702 0.000 A 22 ARG HB3 H 1 1.702 0.000 A 22 ARG HD2 H 1 3.143 0.000 A 22 ARG HD3 H 1 3.143 0.000 A 22 ARG HE H 1 7.147 0.000 A 22 ARG HG2 H 1 1.578 0.000 A 22 ARG HG3 H 1 1.448 0.000 A 22 ARG CA C 13 52.610 0.000 A 22 ARG CB C 13 27.383 0.000 A 22 ARG CD C 13 40.521 0.000 A 22 ARG CG C 13 24.312 0.000 A 22 ARG N N 15 125.989 0.000 A 23 CYS H H 1 8.833 0.000 A 23 CYS HA H 1 4.730 0.000 A 23 CYS HB2 H 1 2.662 0.000 A 23 CYS HB3 H 1 3.121 0.000 A 23 CYS CA C 13 52.326 0.000 A 23 CYS CB C 13 38.606 0.000 A 23 CYS N N 15 124.897 0.000 A 24 LEU H H 1 8.865 0.000 A 24 LEU HA H 1 4.225 0.000 A 24 LEU HB2 H 1 1.567 0.000 A 24 LEU HB3 H 1 1.648 0.000 A 24 LEU HD1% H 1 0.824 0.000 A 24 LEU HD2% H 1 0.897 0.000 A 24 LEU HG H 1 1.647 0.000 A 24 LEU CA C 13 54.610 0.000 A 24 LEU CB C 13 39.205 0.000 A 24 LEU CD1 C 13 22.146 0.000 A 24 LEU CD2 C 13 20.566 0.000 A 24 LEU CG C 13 24.597 0.000 A 24 LEU N N 15 128.735 0.000 A 25 GLU H H 1 7.726 0.000 A 25 GLU HA H 1 4.559 0.000 A 25 GLU HB2 H 1 1.945 0.000 A 25 GLU HB3 H 1 1.945 0.000 A 25 GLU HG2 H 1 2.259 0.000 A 25 GLU HG3 H 1 2.335 0.000 A 25 GLU CA C 13 52.701 0.000 A 25 GLU CB C 13 27.905 0.000 A 25 GLU CG C 13 31.640 0.000 A 25 GLU N N 15 117.911 0.000 A 26 GLU H H 1 8.893 0.000 A 26 GLU HA H 1 4.694 0.000 A 26 GLU HB2 H 1 1.944 0.000 A 26 GLU HB3 H 1 2.091 0.000 A 26 GLU HG2 H 1 2.274 0.000 A 26 GLU HG3 H 1 2.368 0.000 A 26 GLU CA C 13 53.888 0.000 A 26 GLU CB C 13 27.933 0.000 A 26 GLU CG C 13 32.989 0.000 A 26 GLU N N 15 127.199 0.000 A 27 GLN H H 1 8.369 0.000 A 27 GLN HA H 1 4.685 0.000 A 27 GLN HB2 H 1 1.859 0.000 A 27 GLN HB3 H 1 1.859 0.000 A 27 GLN HE21 H 1 6.638 0.000 A 27 GLN HE22 H 1 7.185 0.000 A 27 GLN HG2 H 1 2.143 0.000 A 27 GLN HG3 H 1 1.942 0.000 A 27 GLN CA C 13 50.849 0.000 A 27 GLN CB C 13 24.767 0.000 A 27 GLN CG C 13 30.815 0.000 A 27 GLN N N 15 120.281 0.000 A 28 LEU H H 1 8.405 0.000 A 28 LEU HA H 1 4.340 0.000 A 28 LEU HB2 H 1 1.496 0.000 A 28 LEU HB3 H 1 1.596 0.000 A 28 LEU HD1% H 1 0.857 0.000 A 28 LEU HD2% H 1 0.905 0.000 A 28 LEU HG H 1 1.601 0.000 A 28 LEU CA C 13 52.720 0.000 A 28 LEU CB C 13 39.386 0.000 A 28 LEU CD1 C 13 20.851 0.000 A 28 LEU CD2 C 13 22.382 0.000 A 28 LEU CG C 13 24.321 0.000 A 28 LEU N N 15 123.928 0.000 A 29 GLY H H 1 7.970 0.000 A 29 GLY HA2 H 1 3.727 0.000 A 29 GLY HA3 H 1 3.969 0.000 A 29 GLY CA C 13 41.907 0.000 A 29 GLY N N 15 109.915 0.000 A 30 LEU H H 1 8.217 0.000 A 30 LEU HA H 1 4.542 0.000 A 30 LEU HB2 H 1 1.585 0.000 A 30 LEU HB3 H 1 1.498 0.000 A 30 LEU HD1% H 1 0.853 0.000 A 30 LEU HD2% H 1 0.854 0.000 A 30 LEU HG H 1 1.583 0.000 A 30 LEU CA C 13 52.713 0.000 A 30 LEU CB C 13 41.178 0.000 A 30 LEU N N 15 121.719 0.000 A 31 CYS H H 1 8.975 0.000 A 31 CYS HA H 1 5.037 0.000 A 31 CYS HB2 H 1 3.582 0.000 A 31 CYS HB3 H 1 2.884 0.000 A 31 CYS CA C 13 51.804 0.000 A 31 CYS CB C 13 40.828 0.000 A 31 CYS N N 15 123.400 0.000 A 32 PRO HA H 1 4.233 0.000 A 32 PRO HB2 H 1 1.797 0.000 A 32 PRO HB3 H 1 2.167 0.000 A 32 PRO HD2 H 1 3.859 0.000 A 32 PRO HD3 H 1 3.775 0.000 A 32 PRO HG2 H 1 1.970 0.000 A 32 PRO HG3 H 1 1.800 0.000 A 32 PRO CA C 13 62.208 0.000 A 32 PRO CB C 13 29.423 0.000 A 32 PRO CD C 13 48.077 0.000 A 32 PRO CG C 13 24.741 0.000 A 33 LEU H H 1 7.223 0.000 A 33 LEU HA H 1 4.474 0.000 A 33 LEU HB2 H 1 0.397 0.000 A 33 LEU HB3 H 1 0.857 0.000 A 33 LEU HD1% H 1 0.588 0.000 A 33 LEU HD2% H 1 -0.031 0.000 A 33 LEU HG H 1 0.974 0.000 A 33 LEU CA C 13 50.608 0.000 A 33 LEU CB C 13 39.226 0.000 A 33 LEU CD1 C 13 19.855 0.000 A 33 LEU CD2 C 13 21.947 0.000 A 33 LEU CG C 13 23.829 0.000 A 33 LEU N N 15 117.604 0.000 A 34 LYS H H 1 8.379 0.000 A 34 LYS HA H 1 4.069 0.000 A 34 LYS HB2 H 1 1.820 0.000 A 34 LYS HB3 H 1 1.820 0.000 A 34 LYS HD2 H 1 1.729 0.000 A 34 LYS HD3 H 1 1.729 0.000 A 34 LYS HE2 H 1 3.011 0.000 A 34 LYS HE3 H 1 3.011 0.000 A 34 LYS HG2 H 1 1.587 0.000 A 34 LYS HG3 H 1 1.525 0.000 A 34 LYS CA C 13 55.390 0.000 A 34 LYS CB C 13 29.792 0.000 A 34 LYS CD C 13 26.295 0.000 A 34 LYS CE C 13 39.239 0.000 A 34 LYS CG C 13 22.494 0.000 A 34 LYS N N 15 123.515 0.000 A 35 ARG H H 1 8.767 0.000 A 35 ARG HA H 1 3.969 0.000 A 35 ARG HB2 H 1 2.350 0.000 A 35 ARG HB3 H 1 2.084 0.000 A 35 ARG HD2 H 1 3.264 0.000 A 35 ARG HD3 H 1 3.264 0.000 A 35 ARG HE H 1 7.251 0.000 A 35 ARG HG2 H 1 1.665 0.000 A 35 ARG HG3 H 1 1.665 0.000 A 35 ARG CA C 13 55.866 0.000 A 35 ARG CB C 13 25.421 0.000 A 35 ARG CD C 13 40.553 0.000 A 35 ARG N N 15 114.549 0.000 A 36 TRP H H 1 7.877 0.000 A 36 TRP HA H 1 4.699 0.000 A 36 TRP HB2 H 1 3.143 0.000 A 36 TRP HB3 H 1 3.079 0.000 A 36 TRP HD1 H 1 7.340 0.000 A 36 TRP HE1 H 1 10.517 0.000 A 36 TRP HE3 H 1 7.031 0.000 A 36 TRP HH2 H 1 7.229 0.000 A 36 TRP HZ2 H 1 7.512 0.000 A 36 TRP HZ3 H 1 7.102 0.000 A 36 TRP CA C 13 56.487 0.000 A 36 TRP CB C 13 25.590 0.000 A 36 TRP CD1 C 13 123.950 0.000 A 36 TRP CE3 C 13 117.257 0.000 A 36 TRP CH2 C 13 122.039 0.000 A 36 TRP CZ2 C 13 112.506 0.000 A 36 TRP CZ3 C 13 119.695 0.000 A 36 TRP N N 15 121.448 0.000 A 37 THR H H 1 8.871 0.000 A 37 THR HA H 1 4.500 0.000 A 37 THR HB H 1 3.887 0.000 A 37 THR HG2% H 1 1.169 0.000 A 37 THR CA C 13 59.084 0.000 A 37 THR CB C 13 68.314 0.000 A 37 THR CG2 C 13 19.343 0.000 A 37 THR N N 15 118.085 0.000 A 38 CYS H H 1 9.105 0.000 A 38 CYS HA H 1 4.776 0.000 A 38 CYS HB2 H 1 3.471 0.000 A 38 CYS HB3 H 1 2.951 0.000 A 38 CYS CA C 13 52.717 0.000 A 38 CYS CB C 13 34.726 0.000 A 38 CYS N N 15 125.478 0.000 A 39 CYS H H 1 9.229 0.000 A 39 CYS HA H 1 5.056 0.000 A 39 CYS HB2 H 1 3.140 0.000 A 39 CYS HB3 H 1 2.670 0.000 A 39 CYS CA C 13 52.023 0.000 A 39 CYS CB C 13 41.248 0.000 A 39 CYS N N 15 129.950 0.000 A 40 LYS H H 1 8.939 0.000 A 40 LYS HA H 1 4.349 0.000 A 40 LYS HB2 H 1 1.663 0.000 A 40 LYS HB3 H 1 1.739 0.000 A 40 LYS HD2 H 1 1.613 0.000 A 40 LYS HD3 H 1 1.614 0.000 A 40 LYS HE2 H 1 2.955 0.000 A 40 LYS HE3 H 1 2.954 0.000 A 40 LYS HG2 H 1 1.387 0.000 A 40 LYS HG3 H 1 1.387 0.000 A 40 LYS CA C 13 55.355 0.000 A 40 LYS CB C 13 31.397 0.000 A 40 LYS CD C 13 26.626 0.000 A 40 LYS CE C 13 39.220 0.000 A 40 LYS CG C 13 22.754 0.000 A 40 LYS N N 15 127.335 0.000 A 41 GLU H H 1 7.892 0.000 A 41 GLU HA H 1 4.559 0.000 A 41 GLU HB2 H 1 1.900 0.000 A 41 GLU HB3 H 1 2.066 0.000 A 41 GLU HG2 H 1 2.337 0.000 A 41 GLU HG3 H 1 2.261 0.000 A 41 GLU CA C 13 52.701 0.000 A 41 GLU CB C 13 28.415 0.000 A 41 GLU CG C 13 31.627 0.000 A 41 GLU N N 15 118.939 0.000 A 42 ILE H H 1 7.971 0.000 A 42 ILE HA H 1 4.077 0.000 A 42 ILE HB H 1 1.739 0.000 A 42 ILE HD1% H 1 0.779 0.000 A 42 ILE HG12 H 1 1.329 0.000 A 42 ILE HG13 H 1 0.967 0.000 A 42 ILE HG2% H 1 0.802 0.000 A 42 ILE CA C 13 60.164 0.000 A 42 ILE CD1 C 13 11.298 0.000 A 42 ILE CG1 C 13 24.844 0.000 A 42 ILE CG2 C 13 15.663 0.000 A 42 ILE N N 15 126.443 0.000 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin undefined _nef_distance_restraint_list.potential_type . save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 36 TRP HE1 A 19 PRO HB2 1.0 1.997 5.733 2 1 A 36 TRP HE1 A 19 PRO HB3 1.0 1.997 5.733 3 2 A 36 TRP HE1 A 34 LYS HB2 1.0 1.924 4.524 4 2 A 36 TRP HE1 A 34 LYS HB3 1.0 1.924 4.524 5 3 A 39 CYS H A 17 VAL HG2% 1.0 1.860 4.022 6 3 A 39 CYS H A 17 VAL HG1% 1.0 1.860 4.022 7 4 A 31 CYS H A 30 LEU HD2% 1.0 1.877 4.143 8 4 A 31 CYS H A 30 LEU HD1% 1.0 1.877 4.143 9 5 A 17 VAL HG2% A 23 CYS H 1.0 1.946 4.738 10 5 A 17 VAL HG1% A 23 CYS H 1.0 1.946 4.738 11 6 A 40 LYS H A 40 LYS HG3 1.0 0.000 6.000 12 6 A 40 LYS H A 40 LYS HG2 1.0 0.000 6.000 13 7 A 31 CYS H A 30 LEU HB3 1.0 1.934 4.614 14 7 A 31 CYS H A 30 LEU HG 1.0 1.934 4.614 15 8 A 35 ARG H A 35 ARG HG3 1.0 1.820 3.782 16 8 A 35 ARG H A 35 ARG HG2 1.0 1.820 3.782 17 9 A 23 CYS H A 22 ARG HB3 1.0 1.872 4.098 18 9 A 23 CYS H A 22 ARG HB2 1.0 1.872 4.098 19 10 A 34 LYS HB3 A 35 ARG H 1.0 1.838 3.884 20 10 A 34 LYS HB2 A 35 ARG H 1.0 1.838 3.884 21 11 A 40 LYS H A 27 GLN HB3 1.0 1.923 4.503 22 11 A 40 LYS H A 27 GLN HB2 1.0 1.923 4.503 23 12 A 40 LYS H A 27 GLN HG2 1.0 1.830 3.840 24 12 A 40 LYS H A 25 GLU HB2 1.0 1.830 3.840 25 13 A 39 CYS H A 27 GLN HB2 1.0 1.996 6.390 26 13 A 39 CYS H A 27 GLN HB3 1.0 1.996 6.390 27 14 A 38 CYS H A 9 CYS HB3 1.0 1.998 5.744 28 14 A 38 CYS H A 39 CYS HB2 1.0 1.998 5.744 29 15 A 39 CYS HB2 A 15 HIS HE1 1.0 1.944 4.726 30 15 A 39 CYS HB2 A 15 HIS H 1.0 1.944 4.726 31 16 A 17 VAL H A 15 HIS HB3 1.0 1.995 6.429 32 16 A 17 VAL H A 38 CYS HB3 1.0 1.995 6.429 33 17 A 40 LYS H A 38 CYS HB3 1.0 2.000 6.098 34 17 A 40 LYS H A 40 LYS HE2 1.0 2.000 6.098 35 17 A 40 LYS H A 40 LYS HE3 1.0 2.000 6.098 36 18 A 38 CYS H A 39 CYS HB3 1.0 1.978 6.860 37 18 A 38 CYS H A 36 TRP HB3 1.0 1.978 6.860 38 19 A 38 CYS H A 26 GLU HA 1.0 1.996 6.354 39 19 A 38 CYS H A 36 TRP HA 1.0 1.996 6.354 40 20 A 3 THR HA A 3 THR H 1.0 1.819 3.773 41 20 A 4 SER H A 3 THR HA 1.0 1.819 3.773 42 21 A 4 SER H A 3 THR HB 1.0 1.792 3.624 43 21 A 3 THR H A 3 THR HB 1.0 1.792 3.624 44 22 A 35 ARG H A 35 ARG HD2 1.0 1.992 5.488 45 22 A 35 ARG H A 35 ARG HD3 1.0 1.992 5.488 46 23 A 22 ARG H A 22 ARG HD3 1.0 1.981 5.251 47 23 A 22 ARG H A 22 ARG HD2 1.0 1.981 5.251 48 24 A 27 GLN H A 26 GLU HB2 1.0 1.823 3.795 49 24 A 27 GLN HG2 A 27 GLN H 1.0 1.823 3.795 50 25 A 27 GLN HB3 A 28 LEU H 1.0 1.706 3.226 51 25 A 27 GLN HB2 A 28 LEU H 1.0 1.706 3.226 52 26 A 27 GLN HB2 A 27 GLN H 1.0 1.764 3.486 53 26 A 27 GLN HB3 A 27 GLN H 1.0 1.764 3.486 54 27 A 34 LYS HB2 A 34 LYS H 1.0 1.517 2.551 55 27 A 34 LYS HB3 A 34 LYS H 1.0 1.517 2.551 56 28 A 22 ARG HB2 A 22 ARG H 1.0 1.621 2.897 57 28 A 22 ARG HB3 A 22 ARG H 1.0 1.621 2.897 58 29 A 34 LYS H A 34 LYS HD3 1.0 1.998 5.804 59 29 A 34 LYS H A 34 LYS HD2 1.0 1.998 5.804 60 30 A 34 LYS HB2 A 36 TRP H 1.0 1.959 4.899 61 30 A 34 LYS HB3 A 36 TRP H 1.0 1.959 4.899 62 31 A 35 ARG HG3 A 36 TRP H 1.0 1.935 4.623 63 31 A 35 ARG HG2 A 36 TRP H 1.0 1.935 4.623 64 31 A 41 GLU H A 40 LYS HB2 1.0 1.935 4.623 65 32 A 40 LYS HG2 A 41 GLU H 1.0 1.961 4.919 66 32 A 40 LYS HG3 A 41 GLU H 1.0 1.961 4.919 67 33 A 30 LEU HD1% A 6 PHE HE1 1.0 1.719 3.281 68 33 A 30 LEU HD1% A 6 PHE HE2 1.0 1.719 3.281 69 33 A 17 VAL HG2% A 18 SER H 1.0 1.719 3.281 70 34 A 30 LEU HD2% A 6 PHE HD2 1.0 1.851 3.965 71 34 A 30 LEU HD2% A 6 PHE HD1 1.0 1.851 3.965 72 34 A 30 LEU HD1% A 6 PHE HD2 1.0 1.851 3.965 73 34 A 30 LEU HD1% A 6 PHE HD1 1.0 1.851 3.965 74 35 A 17 VAL HG2% A 36 TRP HZ3 1.0 1.933 4.605 75 35 A 17 VAL HG1% A 36 TRP HZ3 1.0 1.933 4.605 76 36 A 17 VAL HG1% A 36 TRP HE3 1.0 1.901 4.319 77 36 A 17 VAL HG2% A 36 TRP HE3 1.0 1.901 4.319 78 37 A 36 TRP H A 37 THR HG2% 1.0 1.989 6.609 79 37 A 37 THR HG2% A 14 GLY H 1.0 1.989 6.609 80 38 A 20 LYS H A 20 LYS HG3 1.0 0.000 6.000 81 38 A 20 LYS H A 20 LYS HG2 1.0 0.000 6.000 82 39 A 20 LYS HG3 A 21 ILE H 1.0 1.991 5.451 83 39 A 20 LYS HG2 A 21 ILE H 1.0 1.991 5.451 84 40 A 20 LYS H A 20 LYS HD3 1.0 2.000 5.910 85 40 A 20 LYS H A 20 LYS HD2 1.0 2.000 5.910 86 41 A 21 ILE H A 20 LYS HD3 1.0 1.976 6.884 87 41 A 21 ILE H A 20 LYS HD2 1.0 1.976 6.884 88 42 A 7 HIS HD2 A 12 LYS HD3 1.0 1.954 4.838 89 42 A 7 HIS HD2 A 12 LYS HD2 1.0 1.954 4.838 90 43 A 35 ARG HG2 A 35 ARG HE 1.0 1.937 4.641 91 43 A 35 ARG HG3 A 35 ARG HE 1.0 1.937 4.641 92 44 A 35 ARG HG3 A 36 TRP HD1 1.0 1.975 5.141 93 44 A 35 ARG HG2 A 36 TRP HD1 1.0 1.975 5.141 94 45 A 34 LYS HB3 A 36 TRP HD1 1.0 1.797 3.651 95 45 A 34 LYS HB2 A 36 TRP HD1 1.0 1.797 3.651 96 46 A 25 GLU HB2 A 25 GLU H 1.0 1.839 3.887 97 46 A 25 GLU H A 25 GLU HB3 1.0 1.839 3.887 98 47 A 34 LYS HB3 A 36 TRP HZ2 1.0 1.998 6.282 99 47 A 36 TRP HZ2 A 19 PRO HG3 1.0 1.998 6.282 100 47 A 34 LYS HB2 A 36 TRP HZ2 1.0 1.998 6.282 101 48 A 21 ILE H A 17 VAL HB 1.0 1.949 4.773 102 48 A 10 GLN HE21 A 10 GLN HB2 1.0 1.949 4.773 103 49 A 33 LEU H A 32 PRO HG3 1.0 1.817 3.763 104 49 A 33 LEU H A 32 PRO HB2 1.0 1.817 3.763 105 50 A 27 GLN HB2 A 27 GLN HE21 1.0 1.966 4.984 106 50 A 27 GLN HB3 A 27 GLN HE21 1.0 1.966 4.984 107 51 A 15 HIS HD2 A 10 GLN HB3 1.0 1.999 5.783 108 51 A 15 HIS HD2 A 41 GLU HB3 1.0 1.999 5.783 109 52 A 19 PRO HB3 A 20 LYS H 1.0 1.966 4.978 110 52 A 19 PRO HB2 A 20 LYS H 1.0 1.966 4.978 111 53 A 40 LYS HE2 A 14 GLY H 1.0 1.991 6.529 112 53 A 40 LYS HE3 A 14 GLY H 1.0 1.991 6.529 113 54 A 6 PHE HE1 A 7 HIS HB2 1.0 1.995 6.419 114 54 A 6 PHE HE2 A 7 HIS HB2 1.0 1.995 6.419 115 54 A 12 LYS H A 7 HIS HB2 1.0 1.995 6.419 116 55 A 35 ARG HD3 A 35 ARG HE 1.0 1.740 3.374 117 55 A 35 ARG HD2 A 35 ARG HE 1.0 1.740 3.374 118 56 A 36 TRP HB2 A 36 TRP HH2 1.0 1.992 5.498 119 56 A 33 LEU H A 36 TRP HB2 1.0 1.992 5.498 120 57 A 22 ARG HD3 A 22 ARG HE 1.0 1.665 3.063 121 57 A 22 ARG HD2 A 22 ARG HE 1.0 1.665 3.063 122 58 A 33 LEU H A 16 CYS HB2 1.0 1.995 6.401 123 58 A 36 TRP HH2 A 16 CYS HB2 1.0 1.995 6.401 124 59 A 12 LYS H A 12 LYS HA 1.0 1.715 3.263 125 59 A 12 LYS H A 11 ASP HA 1.0 1.715 3.263 126 60 A 27 GLN HB3 A 27 GLN HE22 1.0 1.973 5.109 127 60 A 27 GLN HB2 A 27 GLN HE22 1.0 1.973 5.109 128 61 A 12 LYS HD2 A 27 GLN HE22 1.0 1.995 5.605 129 61 A 12 LYS HD3 A 27 GLN HE22 1.0 1.995 5.605 130 62 A 15 HIS HB3 A 16 CYS HA 1.0 1.987 5.373 131 62 A 38 CYS HB3 A 16 CYS HA 1.0 1.987 5.373 132 63 A 17 VAL HG2% A 16 CYS HA 1.0 1.831 3.845 133 63 A 17 VAL HG1% A 16 CYS HA 1.0 1.831 3.845 134 64 A 11 ASP HA A 10 GLN HA 1.0 1.992 5.512 135 64 A 12 LYS HA A 13 GLY HA2 1.0 1.992 5.512 136 65 A 38 CYS HB3 A 26 GLU HA 1.0 1.995 5.599 137 65 A 38 CYS HB3 A 27 GLN HA 1.0 1.995 5.599 138 66 A 35 ARG HD3 A 35 ARG HA 1.0 1.903 4.333 139 66 A 35 ARG HD2 A 35 ARG HA 1.0 1.903 4.333 140 67 A 39 CYS HB3 A 41 GLU HA 1.0 1.928 7.586 141 67 A 7 HIS HB2 A 6 PHE HA 1.0 1.928 7.586 142 68 A 22 ARG HD3 A 22 ARG HA 1.0 1.899 4.299 143 68 A 22 ARG HD2 A 22 ARG HA 1.0 1.899 4.299 144 69 A 19 PRO HD3 A 19 PRO HA 1.0 1.921 4.495 145 69 A 11 ASP HA A 11 ASP HB3 1.0 1.921 4.495 146 70 A 36 TRP HB3 A 37 THR HB 1.0 1.996 5.616 147 70 A 39 CYS HB3 A 37 THR HB 1.0 1.996 5.616 148 70 A 23 CYS HB3 A 37 THR HB 1.0 1.996 5.616 149 71 A 26 GLU HA A 26 GLU HB2 1.0 1.782 3.578 150 71 A 27 GLN HG2 A 27 GLN HA 1.0 1.782 3.578 151 72 A 27 GLN HB3 A 27 GLN HA 1.0 1.655 3.023 152 72 A 27 GLN HB2 A 27 GLN HA 1.0 1.655 3.023 153 73 A 25 GLU HG3 A 25 GLU HA 1.0 1.786 3.598 154 73 A 41 GLU HA A 41 GLU HG2 1.0 1.786 3.598 155 74 A 25 GLU HA A 25 GLU HG2 1.0 1.869 4.085 156 74 A 41 GLU HA A 41 GLU HG3 1.0 1.869 4.085 157 75 A 19 PRO HB2 A 19 PRO HA 1.0 1.666 3.066 158 75 A 19 PRO HB3 A 19 PRO HA 1.0 1.666 3.066 159 76 A 27 GLN HB2 A 28 LEU HA 1.0 1.883 4.187 160 76 A 27 GLN HB3 A 28 LEU HA 1.0 1.883 4.187 161 76 A 27 GLN HB3 A 40 LYS HA 1.0 1.883 4.187 162 77 A 25 GLU HB2 A 25 GLU HA 1.0 1.675 3.099 163 77 A 25 GLU HB3 A 25 GLU HA 1.0 1.675 3.099 164 78 A 25 GLU HA A 40 LYS HB3 1.0 1.997 5.675 165 78 A 41 GLU HA A 42 ILE HB 1.0 1.997 5.675 166 79 A 34 LYS HB3 A 33 LEU HA 1.0 1.956 4.862 167 79 A 34 LYS HB2 A 33 LEU HA 1.0 1.956 4.862 168 80 A 12 LYS HD3 A 12 LYS HA 1.0 1.784 3.590 169 80 A 12 LYS HD2 A 12 LYS HA 1.0 1.784 3.590 170 81 A 25 GLU HA A 24 LEU HB2 1.0 1.999 5.793 171 81 A 40 LYS HB2 A 25 GLU HA 1.0 1.999 5.793 172 82 A 30 LEU HG A 30 LEU HA 1.0 1.820 3.782 173 82 A 30 LEU HB3 A 30 LEU HA 1.0 1.820 3.782 174 83 A 27 GLN HA A 28 LEU HB2 1.0 1.970 5.058 175 83 A 27 GLN HA A 28 LEU HG 1.0 1.970 5.058 176 84 A 40 LYS HG3 A 27 GLN HA 1.0 1.999 6.175 177 84 A 40 LYS HG3 A 26 GLU HA 1.0 1.999 6.175 178 84 A 40 LYS HG2 A 27 GLN HA 1.0 1.999 6.175 179 84 A 40 LYS HG2 A 26 GLU HA 1.0 1.999 6.175 180 85 A 40 LYS HG3 A 25 GLU HA 1.0 1.999 6.119 181 85 A 40 LYS HG2 A 41 GLU HA 1.0 1.999 6.119 182 85 A 40 LYS HG3 A 41 GLU HA 1.0 1.999 6.119 183 86 A 40 LYS HG2 A 40 LYS HA 1.0 1.799 3.667 184 86 A 40 LYS HG3 A 40 LYS HA 1.0 1.799 3.667 185 87 A 17 VAL HG2% A 38 CYS HA 1.0 1.884 4.192 186 87 A 17 VAL HG1% A 38 CYS HA 1.0 1.884 4.192 187 88 A 41 GLU HA A 24 LEU HD1% 1.0 1.999 6.113 188 88 A 25 GLU HA A 24 LEU HD1% 1.0 1.999 6.113 189 89 A 30 LEU HD1% A 30 LEU HA 1.0 1.599 2.817 190 89 A 30 LEU HD2% A 30 LEU HA 1.0 1.599 2.817 191 90 A 22 ARG HB2 A 22 ARG HA 1.0 1.741 3.377 192 90 A 22 ARG HB3 A 22 ARG HA 1.0 1.741 3.377 193 91 A 34 LYS HB3 A 35 ARG HA 1.0 1.999 6.177 194 91 A 34 LYS HB2 A 35 ARG HA 1.0 1.999 6.177 195 92 A 41 GLU HG2 A 42 ILE HA 1.0 1.999 5.803 196 92 A 19 PRO HB3 A 20 LYS HA 1.0 1.999 5.803 197 92 A 19 PRO HB2 A 20 LYS HA 1.0 1.999 5.803 198 93 A 20 LYS HA A 20 LYS HB3 1.0 1.627 2.919 199 93 A 34 LYS HB3 A 34 LYS HA 1.0 1.627 2.919 200 93 A 34 LYS HB2 A 34 LYS HA 1.0 1.627 2.919 201 94 A 24 LEU HB2 A 42 ILE HA 1.0 1.921 4.485 202 94 A 42 ILE HA A 24 LEU HG 1.0 1.921 4.485 203 95 A 35 ARG HG2 A 35 ARG HA 1.0 1.718 3.280 204 95 A 35 ARG HG3 A 35 ARG HA 1.0 1.718 3.280 205 96 A 28 LEU HB2 A 29 GLY HA2 1.0 1.996 5.642 206 96 A 30 LEU HB3 A 29 GLY HA2 1.0 1.996 5.642 207 97 A 12 LYS HD2 A 29 GLY HA2 1.0 1.981 5.233 208 97 A 12 LYS HD3 A 29 GLY HA2 1.0 1.981 5.233 209 98 A 29 GLY HA2 A 28 LEU HB3 1.0 1.995 5.601 210 98 A 29 GLY HA2 A 30 LEU HB2 1.0 1.995 5.601 211 99 A 20 LYS HG2 A 20 LYS HA 1.0 1.826 3.816 212 99 A 20 LYS HG3 A 20 LYS HA 1.0 1.826 3.816 213 100 A 30 LEU HD2% A 8 THR HA 1.0 1.647 2.991 214 100 A 28 LEU HA A 28 LEU HD2% 1.0 1.647 2.991 215 101 A 30 LEU HD1% A 32 PRO HA 1.0 1.978 5.192 216 101 A 33 LEU HB3 A 32 PRO HA 1.0 1.978 5.192 217 102 A 30 LEU HB3 A 29 GLY HA3 1.0 1.985 5.319 218 102 A 28 LEU HB2 A 29 GLY HA3 1.0 1.985 5.319 219 103 A 12 LYS HD2 A 29 GLY HA3 1.0 1.973 5.107 220 103 A 12 LYS HD3 A 29 GLY HA3 1.0 1.973 5.107 221 104 A 30 LEU HB2 A 29 GLY HA3 1.0 1.980 5.212 222 104 A 28 LEU HB3 A 29 GLY HA3 1.0 1.980 5.212 223 105 A 30 LEU HD2% A 4 SER HB3 1.0 1.994 5.566 224 105 A 30 LEU HD1% A 4 SER HB3 1.0 1.994 5.566 225 106 A 35 ARG HD3 A 35 ARG HB2 1.0 1.845 3.927 226 106 A 35 ARG HD2 A 35 ARG HB2 1.0 1.845 3.927 227 106 A 19 PRO HB3 A 19 PRO HD2 1.0 1.845 3.927 228 107 A 35 ARG HD3 A 35 ARG HB3 1.0 1.855 3.993 229 107 A 35 ARG HD2 A 35 ARG HB3 1.0 1.855 3.993 230 108 A 19 PRO HD2 A 19 PRO HG2 1.0 1.726 3.314 231 108 A 19 PRO HG3 A 19 PRO HD2 1.0 1.726 3.314 232 109 A 34 LYS HB3 A 19 PRO HD2 1.0 0.000 6.000 233 109 A 34 LYS HB2 A 19 PRO HD2 1.0 0.000 6.000 234 110 A 35 ARG HG3 A 35 ARG HD3 1.0 1.635 2.947 235 110 A 35 ARG HG3 A 35 ARG HD2 1.0 1.635 2.947 236 110 A 35 ARG HG2 A 35 ARG HD3 1.0 1.635 2.947 237 110 A 35 ARG HG2 A 35 ARG HD2 1.0 1.635 2.947 238 111 A 12 LYS HD2 A 7 HIS HB3 1.0 1.964 4.962 239 111 A 12 LYS HD3 A 7 HIS HB3 1.0 1.964 4.962 240 112 A 22 ARG HD3 A 22 ARG HG2 1.0 1.777 3.549 241 112 A 22 ARG HD2 A 22 ARG HG2 1.0 1.777 3.549 242 113 A 22 ARG HD3 A 22 ARG HG3 1.0 1.845 3.923 243 113 A 22 ARG HD2 A 22 ARG HG3 1.0 1.845 3.923 244 114 A 19 PRO HB3 A 19 PRO HD3 1.0 1.943 4.709 245 114 A 19 PRO HB2 A 19 PRO HD3 1.0 1.943 4.709 246 115 A 27 GLN HG2 A 38 CYS HB3 1.0 1.980 5.214 247 115 A 25 GLU HB2 A 40 LYS HE3 1.0 1.980 5.214 248 116 A 27 GLN HB3 A 38 CYS HB3 1.0 1.969 5.035 249 116 A 27 GLN HB2 A 38 CYS HB3 1.0 1.969 5.035 250 117 A 34 LYS HD2 A 34 LYS HE2 1.0 1.931 4.583 251 117 A 34 LYS HD2 A 34 LYS HE3 1.0 1.931 4.583 252 117 A 34 LYS HD3 A 34 LYS HE2 1.0 1.931 4.583 253 117 A 34 LYS HD3 A 34 LYS HE3 1.0 1.931 4.583 254 118 A 34 LYS HB2 A 19 PRO HD3 1.0 1.814 3.750 255 118 A 34 LYS HB3 A 19 PRO HD3 1.0 1.814 3.750 256 119 A 40 LYS HE3 A 40 LYS HB2 1.0 1.987 5.351 257 119 A 40 LYS HE2 A 40 LYS HB2 1.0 1.987 5.351 258 120 A 12 LYS HD2 A 12 LYS HE3 1.0 1.820 3.776 259 120 A 12 LYS HD3 A 12 LYS HE3 1.0 1.820 3.776 260 121 A 12 LYS HD3 A 12 LYS HE2 1.0 1.729 3.327 261 121 A 12 LYS HD2 A 12 LYS HE2 1.0 1.729 3.327 262 122 A 40 LYS HE2 A 40 LYS HD2 1.0 1.686 3.146 263 122 A 40 LYS HE3 A 40 LYS HD2 1.0 1.686 3.146 264 122 A 40 LYS HE3 A 40 LYS HD3 1.0 1.686 3.146 265 122 A 40 LYS HE2 A 40 LYS HD3 1.0 1.686 3.146 266 123 A 34 LYS HE3 A 34 LYS HG3 1.0 1.981 5.245 267 123 A 34 LYS HE2 A 34 LYS HG3 1.0 1.981 5.245 268 124 A 40 LYS HG3 A 40 LYS HE3 1.0 1.802 3.680 269 124 A 40 LYS HG3 A 40 LYS HE2 1.0 1.802 3.680 270 124 A 40 LYS HG2 A 40 LYS HE3 1.0 1.802 3.680 271 124 A 40 LYS HG2 A 40 LYS HE2 1.0 1.802 3.680 272 125 A 20 LYS HG3 A 20 LYS HE3 1.0 1.905 4.355 273 125 A 20 LYS HG3 A 20 LYS HE2 1.0 1.905 4.355 274 125 A 20 LYS HG2 A 20 LYS HE3 1.0 1.905 4.355 275 125 A 20 LYS HG2 A 20 LYS HE2 1.0 1.905 4.355 276 126 A 17 VAL HG1% A 18 SER HB2 1.0 2.000 5.948 277 126 A 33 LEU HB3 A 18 SER HB2 1.0 2.000 5.948 278 126 A 17 VAL HG2% A 18 SER HB2 1.0 2.000 5.948 279 127 A 17 VAL HG1% A 16 CYS HB2 1.0 1.999 6.159 280 127 A 17 VAL HG2% A 16 CYS HB2 1.0 1.999 6.159 281 128 A 39 CYS HB3 A 42 ILE HG12 1.0 1.999 6.155 282 128 A 22 ARG HD3 A 42 ILE HG12 1.0 1.999 6.155 283 128 A 22 ARG HD2 A 42 ILE HG12 1.0 1.999 6.155 284 129 A 22 ARG HD3 A 24 LEU HD1% 1.0 1.992 5.496 285 129 A 22 ARG HD2 A 24 LEU HD1% 1.0 1.992 5.496 286 130 A 22 ARG HD3 A 24 LEU HD2% 1.0 1.909 4.385 287 130 A 22 ARG HD2 A 24 LEU HD2% 1.0 1.909 4.385 288 131 A 39 CYS HB3 A 42 ILE HD1% 1.0 1.899 4.303 289 131 A 39 CYS HB3 A 21 ILE HG2% 1.0 1.899 4.303 290 132 A 38 CYS HB3 A 28 LEU HD2% 1.0 0.000 6.000 291 132 A 17 VAL HG1% A 38 CYS HB3 1.0 0.000 6.000 292 132 A 17 VAL HG2% A 15 HIS HB3 1.0 0.000 6.000 293 133 A 30 LEU HD2% A 6 PHE HB2 1.0 1.907 4.369 294 133 A 30 LEU HD1% A 6 PHE HB2 1.0 1.907 4.369 295 134 A 17 VAL HG2% A 39 CYS HB2 1.0 1.630 2.930 296 134 A 17 VAL HG1% A 39 CYS HB2 1.0 1.630 2.930 297 135 A 39 CYS HB2 A 21 ILE HG2% 1.0 1.958 4.882 298 135 A 21 ILE HG2% A 23 CYS HB2 1.0 1.958 4.882 299 136 A 25 GLU HB2 A 25 GLU HG3 1.0 1.754 3.438 300 136 A 25 GLU HB3 A 25 GLU HG3 1.0 1.754 3.438 301 137 A 25 GLU HB3 A 25 GLU HG2 1.0 1.677 3.111 302 137 A 25 GLU HB2 A 25 GLU HG2 1.0 1.677 3.111 303 138 A 27 GLN HB2 A 27 GLN HG3 1.0 1.591 2.791 304 138 A 27 GLN HB3 A 27 GLN HG3 1.0 1.591 2.791 305 139 A 19 PRO HB2 A 20 LYS HB3 1.0 0.000 6.000 306 139 A 19 PRO HB3 A 20 LYS HB3 1.0 0.000 6.000 307 140 A 35 ARG HG3 A 35 ARG HB2 1.0 1.734 3.348 308 140 A 35 ARG HG2 A 35 ARG HB2 1.0 1.734 3.348 309 141 A 25 GLU HG2 A 40 LYS HD2 1.0 1.991 5.469 310 141 A 25 GLU HG2 A 40 LYS HD3 1.0 1.991 5.469 311 142 A 25 GLU HG3 A 24 LEU HB3 1.0 1.993 5.559 312 142 A 41 GLU HG2 A 24 LEU HB3 1.0 1.993 5.559 313 143 A 35 ARG HG2 A 35 ARG HB3 1.0 1.664 3.056 314 143 A 35 ARG HG3 A 35 ARG HB3 1.0 1.664 3.056 315 144 A 27 GLN HG2 A 40 LYS HD3 1.0 1.935 4.619 316 144 A 25 GLU HB2 A 40 LYS HD3 1.0 1.935 4.619 317 144 A 25 GLU HB2 A 40 LYS HD2 1.0 1.935 4.619 318 145 A 34 LYS HB3 A 34 LYS HG2 1.0 1.666 3.066 319 145 A 34 LYS HB2 A 34 LYS HG2 1.0 1.666 3.066 320 146 A 34 LYS HD3 A 34 LYS HG2 1.0 1.481 2.441 321 146 A 34 LYS HD2 A 34 LYS HG2 1.0 1.481 2.441 322 147 A 34 LYS HD2 A 34 LYS HG3 1.0 1.593 2.797 323 147 A 34 LYS HD3 A 34 LYS HG3 1.0 1.593 2.797 324 148 A 12 LYS HD3 A 12 LYS HB3 1.0 1.795 3.645 325 148 A 12 LYS HD2 A 12 LYS HB3 1.0 1.795 3.645 326 149 A 40 LYS HG3 A 27 GLN HG2 1.0 1.923 4.513 327 149 A 40 LYS HG3 A 25 GLU HB2 1.0 1.923 4.513 328 149 A 40 LYS HG2 A 27 GLN HG2 1.0 1.923 4.513 329 149 A 40 LYS HG2 A 25 GLU HB2 1.0 1.923 4.513 330 150 A 40 LYS HG3 A 27 GLN HB3 1.0 1.926 4.536 331 150 A 40 LYS HG2 A 27 GLN HB2 1.0 1.926 4.536 332 150 A 40 LYS HG2 A 27 GLN HB3 1.0 1.926 4.536 333 150 A 40 LYS HG3 A 27 GLN HB2 1.0 1.926 4.536 334 151 A 22 ARG HB2 A 22 ARG HG3 1.0 1.669 3.077 335 151 A 22 ARG HB3 A 22 ARG HG3 1.0 1.669 3.077 336 152 A 40 LYS HG3 A 40 LYS HB3 1.0 1.738 3.368 337 152 A 12 LYS HG3 A 12 LYS HB2 1.0 1.738 3.368 338 152 A 40 LYS HG2 A 40 LYS HB3 1.0 1.738 3.368 339 153 A 20 LYS HG3 A 20 LYS HB3 1.0 1.692 3.168 340 153 A 20 LYS HG2 A 20 LYS HB3 1.0 1.692 3.168 341 154 A 17 VAL HG2% A 26 GLU HG3 1.0 1.999 5.833 342 154 A 17 VAL HG1% A 26 GLU HG3 1.0 1.999 5.833 343 155 A 17 VAL HG1% A 17 VAL HB 1.0 1.438 2.322 344 155 A 17 VAL HG2% A 17 VAL HB 1.0 1.438 2.322 345 156 A 32 PRO HG3 A 33 LEU HD1% 1.0 1.861 4.035 346 156 A 32 PRO HB2 A 33 LEU HD1% 1.0 1.861 4.035 347 157 A 34 LYS HB3 A 33 LEU HB2 1.0 1.998 6.288 348 157 A 34 LYS HB2 A 33 LEU HB2 1.0 1.998 6.288 349 157 A 32 PRO HG3 A 33 LEU HB2 1.0 1.998 6.288 350 158 A 17 VAL HG2% A 21 ILE HB 1.0 1.647 2.989 351 158 A 17 VAL HG1% A 21 ILE HB 1.0 1.647 2.989 352 159 A 42 ILE HB A 21 ILE HG2% 1.0 1.752 3.428 353 159 A 42 ILE HB A 42 ILE HD1% 1.0 1.752 3.428 354 160 A 30 LEU HB3 A 30 LEU HB2 1.0 1.266 1.886 355 160 A 28 LEU HB2 A 28 LEU HB3 1.0 1.266 1.886 356 161 A 40 LYS HG2 A 40 LYS HD2 1.0 1.535 2.609 357 161 A 40 LYS HG3 A 40 LYS HD3 1.0 1.535 2.609 358 161 A 40 LYS HG3 A 40 LYS HD2 1.0 1.535 2.609 359 161 A 40 LYS HG2 A 40 LYS HD3 1.0 1.535 2.609 360 162 A 20 LYS HG3 A 20 LYS HB2 1.0 1.696 3.184 361 162 A 20 LYS HG2 A 20 LYS HB2 1.0 1.696 3.184 362 163 A 30 LEU HD1% A 30 LEU HB2 1.0 1.606 2.842 363 163 A 28 LEU HB3 A 28 LEU HD2% 1.0 1.606 2.842 364 164 A 32 PRO HB2 A 33 LEU HD2% 1.0 1.943 4.699 365 164 A 32 PRO HG3 A 33 LEU HD2% 1.0 1.943 4.699 366 165 A 27 GLN HB3 A 39 CYS HA 1.0 1.983 5.285 367 165 A 27 GLN HB2 A 39 CYS HA 1.0 1.983 5.285 368 166 A 32 PRO HG3 A 31 CYS HA 1.0 1.999 6.183 369 166 A 32 PRO HB2 A 31 CYS HA 1.0 1.999 6.183 370 167 A 12 LYS HD3 A 7 HIS HA 1.0 1.998 6.260 371 167 A 12 LYS HD2 A 7 HIS HA 1.0 1.998 6.260 372 168 A 17 VAL HG1% A 39 CYS HA 1.0 1.914 4.428 373 168 A 17 VAL HG2% A 39 CYS HA 1.0 1.914 4.428 374 169 A 9 CYS H A 15 HIS HB2 1.0 1.928 7.588 375 169 A 7 HIS HB2 A 9 CYS H 1.0 1.928 7.588 376 170 A 30 LEU HD2% A 9 CYS H 1.0 1.986 5.362 377 170 A 30 LEU HD1% A 9 CYS H 1.0 1.986 5.362 378 171 A 22 ARG HE A 42 ILE HA 1.0 2.000 6.068 379 171 A 15 HIS HD2 A 42 ILE HA 1.0 2.000 6.068 380 172 A 3 THR HB A 6 PHE HZ 1.0 1.998 6.288 381 172 A 32 PRO HA A 6 PHE HZ 1.0 1.998 6.288 382 173 A 30 LEU HG A 6 PHE H 1.0 1.988 6.620 383 173 A 30 LEU HB3 A 6 PHE H 1.0 1.988 6.620 384 174 A 12 LYS HD3 A 13 GLY H 1.0 1.999 6.223 385 174 A 12 LYS HD2 A 13 GLY H 1.0 1.999 6.223 386 175 A 41 GLU H A 42 ILE HG12 1.0 1.908 7.812 387 175 A 36 TRP H A 33 LEU HG 1.0 1.908 7.812 388 176 A 34 LYS H A 34 LYS HE2 1.0 1.996 6.346 389 176 A 34 LYS H A 34 LYS HE3 1.0 1.996 6.346 390 177 A 19 PRO HG2 A 37 THR H 1.0 1.989 6.619 391 177 A 19 PRO HG3 A 37 THR H 1.0 1.989 6.619 392 178 A 27 GLN HB2 A 38 CYS H 1.0 1.934 7.512 393 178 A 27 GLN HB3 A 38 CYS H 1.0 1.934 7.512 394 179 A 27 GLN HG2 A 38 CYS H 1.0 1.965 7.087 395 179 A 38 CYS H A 26 GLU HB2 1.0 1.965 7.087 396 180 A 38 CYS H A 28 LEU HG 1.0 1.945 7.373 397 180 A 38 CYS H A 28 LEU HB2 1.0 1.945 7.373 398 181 A 36 TRP HE1 A 35 ARG HG3 1.0 1.971 6.991 399 181 A 36 TRP HE1 A 35 ARG HG2 1.0 1.971 6.991 400 182 A 36 TRP HH2 A 19 PRO HD3 1.0 1.958 7.190 401 182 A 33 LEU H A 19 PRO HD3 1.0 1.958 7.190 402 183 A 17 VAL HG2% A 40 LYS H 1.0 1.987 5.373 403 183 A 17 VAL HG1% A 40 LYS H 1.0 1.987 5.373 404 184 A 19 PRO HB3 A 37 THR H 1.0 1.989 5.427 405 184 A 35 ARG HB2 A 37 THR H 1.0 1.989 5.427 406 184 A 19 PRO HB2 A 37 THR H 1.0 1.989 5.427 407 185 A 25 GLU HB3 A 24 LEU H 1.0 1.955 4.847 408 185 A 25 GLU HB2 A 24 LEU H 1.0 1.955 4.847 409 186 A 40 LYS HG3 A 26 GLU H 1.0 1.949 7.329 410 186 A 40 LYS HG2 A 26 GLU H 1.0 1.949 7.329 411 187 A 21 ILE HG2% A 24 LEU H 1.0 1.997 6.289 412 187 A 42 ILE HD1% A 24 LEU H 1.0 1.997 6.289 413 188 A 32 PRO HG3 A 9 CYS H 1.0 1.930 7.564 414 188 A 32 PRO HB2 A 9 CYS H 1.0 1.930 7.564 415 189 A 15 HIS H A 40 LYS HD2 1.0 1.979 6.841 416 189 A 15 HIS H A 40 LYS HD3 1.0 1.979 6.841 417 190 A 15 HIS H A 40 LYS HB3 1.0 2.000 6.028 418 190 A 15 HIS HE1 A 42 ILE HB 1.0 2.000 6.028 419 191 A 15 HIS H A 42 ILE HA 1.0 1.980 6.832 420 191 A 15 HIS HE1 A 42 ILE HA 1.0 1.980 6.832 421 192 A 40 LYS HG2 A 27 GLN H 1.0 1.972 6.970 422 192 A 40 LYS HG3 A 27 GLN H 1.0 1.972 6.970 423 193 A 17 VAL HG1% A 22 ARG H 1.0 1.982 5.262 424 193 A 17 VAL HG2% A 22 ARG H 1.0 1.982 5.262 425 194 A 30 LEU HD1% A 6 PHE H 1.0 1.984 5.294 426 194 A 30 LEU HD2% A 6 PHE H 1.0 1.984 5.294 427 195 A 29 GLY H A 31 CYS HB2 1.0 1.961 7.157 428 195 A 12 LYS HE2 A 29 GLY H 1.0 1.961 7.157 429 196 A 25 GLU HB2 A 41 GLU H 1.0 0.000 6.000 430 196 A 27 GLN HG2 A 41 GLU H 1.0 0.000 6.000 431 197 A 15 HIS HB3 A 41 GLU H 1.0 1.986 6.686 432 197 A 40 LYS HE2 A 41 GLU H 1.0 1.986 6.686 433 198 A 19 PRO HB3 A 21 ILE H 1.0 1.986 6.704 434 198 A 19 PRO HB2 A 21 ILE H 1.0 1.986 6.704 435 199 A 20 LYS H A 20 LYS HE2 1.0 1.979 6.829 436 199 A 20 LYS H A 20 LYS HE3 1.0 1.979 6.829 437 200 A 12 LYS HD2 A 12 LYS H 1.0 1.910 4.394 438 200 A 12 LYS HD3 A 12 LYS H 1.0 1.910 4.394 439 201 A 15 HIS HD2 A 42 ILE HG12 1.0 2.000 5.976 440 201 A 22 ARG HE A 42 ILE HG12 1.0 2.000 5.976 441 202 A 40 LYS HG2 A 15 HIS HD2 1.0 1.979 6.839 442 202 A 40 LYS HG3 A 15 HIS HD2 1.0 1.979 6.839 443 203 A 32 PRO HG3 A 31 CYS HB3 1.0 1.998 6.260 444 203 A 32 PRO HB2 A 31 CYS HB3 1.0 1.998 6.260 445 204 A 27 GLN HB3 A 38 CYS HB2 1.0 1.992 5.496 446 204 A 27 GLN HB2 A 38 CYS HB2 1.0 1.992 5.496 447 205 A 19 PRO HG3 A 18 SER HB2 1.0 1.998 5.736 448 205 A 19 PRO HG2 A 18 SER HB2 1.0 1.998 5.736 449 206 A 22 ARG HD2 A 42 ILE HB 1.0 1.922 4.496 450 206 A 39 CYS HB3 A 42 ILE HB 1.0 1.922 4.496 451 206 A 22 ARG HD3 A 42 ILE HB 1.0 1.922 4.496 452 207 A 22 ARG HB3 A 22 ARG HD3 1.0 1.862 4.032 453 207 A 22 ARG HB3 A 22 ARG HD2 1.0 1.862 4.032 454 207 A 22 ARG HB2 A 22 ARG HD3 1.0 1.862 4.032 455 207 A 22 ARG HB2 A 22 ARG HD2 1.0 1.862 4.032 456 208 A 34 LYS HB3 A 35 ARG HB2 1.0 0.000 6.000 457 208 A 34 LYS HB2 A 35 ARG HB2 1.0 0.000 6.000 458 209 A 22 ARG HB2 A 24 LEU HD2% 1.0 1.868 4.076 459 209 A 22 ARG HB3 A 24 LEU HD2% 1.0 1.868 4.076 460 210 A 27 GLN HA A 25 GLU HG2 1.0 1.954 4.834 461 210 A 26 GLU HA A 25 GLU HG2 1.0 1.954 4.834 462 211 A 15 HIS HB2 A 14 GLY HA3 1.0 1.984 5.304 463 211 A 39 CYS HB3 A 14 GLY HA3 1.0 1.984 5.304 464 212 A 20 LYS HB3 A 20 LYS HE3 1.0 1.997 6.347 465 212 A 20 LYS HB3 A 20 LYS HE2 1.0 1.997 6.347 466 213 A 34 LYS HB3 A 34 LYS HE2 1.0 2.000 6.086 467 213 A 34 LYS HB3 A 34 LYS HE3 1.0 2.000 6.086 468 213 A 34 LYS HB2 A 34 LYS HE2 1.0 2.000 6.086 469 213 A 34 LYS HB2 A 34 LYS HE3 1.0 2.000 6.086 470 214 A 36 TRP HE1 A 34 LYS H 1.0 1.995 6.389 471 215 A 36 TRP HE1 A 36 TRP H 1.0 1.977 5.169 472 216 A 36 TRP HE1 A 36 TRP HZ2 1.0 1.665 3.061 473 217 A 36 TRP HE1 A 36 TRP HD1 1.0 1.543 2.633 474 218 A 36 TRP HE1 A 36 TRP HH2 1.0 1.993 5.513 475 219 A 36 TRP HE1 A 36 TRP HE3 1.0 1.981 6.809 476 220 A 39 CYS H A 17 VAL H 1.0 1.996 5.650 477 221 A 17 VAL H A 16 CYS H 1.0 1.995 5.595 478 222 A 17 VAL H A 37 THR H 1.0 1.831 3.845 479 223 A 17 VAL H A 18 SER H 1.0 1.981 5.229 480 224 A 17 VAL H A 36 TRP HZ3 1.0 1.984 6.730 481 225 A 17 VAL H A 36 TRP HE3 1.0 1.934 4.612 482 226 A 39 CYS H A 40 LYS H 1.0 1.999 6.213 483 227 A 38 CYS H A 37 THR H 1.0 1.998 6.286 484 228 A 39 CYS H A 15 HIS H 1.0 1.819 3.771 485 229 A 15 HIS H A 16 CYS H 1.0 1.983 5.277 486 230 A 39 CYS H A 27 GLN H 1.0 1.979 6.833 487 231 A 38 CYS H A 27 GLN H 1.0 2.000 6.130 488 232 A 39 CYS H A 15 HIS HD2 1.0 1.977 6.871 489 233 A 15 HIS HD2 A 16 CYS H 1.0 2.000 5.988 490 234 A 36 TRP HE3 A 16 CYS H 1.0 1.995 5.607 491 235 A 31 CYS H A 30 LEU H 1.0 1.996 5.634 492 236 A 40 LYS H A 27 GLN H 1.0 1.943 4.711 493 237 A 27 GLN H A 26 GLU H 1.0 1.997 5.693 494 238 A 23 CYS H A 22 ARG H 1.0 1.978 5.172 495 239 A 35 ARG H A 34 LYS H 1.0 1.944 4.712 496 240 A 9 CYS H A 30 LEU H 1.0 1.839 3.893 497 241 A 10 GLN H A 11 ASP H 1.0 1.734 3.350 498 242 A 9 CYS H A 11 ASP H 1.0 1.999 5.921 499 243 A 40 LYS H A 41 GLU H 1.0 0.000 6.000 500 244 A 40 LYS H A 25 GLU H 1.0 1.988 5.384 501 245 A 25 GLU H A 26 GLU H 1.0 1.943 4.707 502 246 A 25 GLU H A 24 LEU H 1.0 1.772 3.526 503 247 A 36 TRP H A 37 THR H 1.0 1.974 5.116 504 248 A 35 ARG H A 36 TRP H 1.0 1.831 3.843 505 249 A 14 GLY H A 10 GLN H 1.0 1.997 5.719 506 250 A 15 HIS H A 14 GLY H 1.0 1.956 4.856 507 251 A 36 TRP HD1 A 37 THR H 1.0 1.997 5.669 508 252 A 36 TRP HE3 A 37 THR H 1.0 1.984 5.294 509 253 A 35 ARG H A 36 TRP HD1 1.0 1.998 5.802 510 254 A 12 LYS H A 10 GLN H 1.0 1.970 5.048 511 255 A 12 LYS H A 9 CYS H 1.0 1.994 6.442 512 256 A 7 HIS HD2 A 7 HIS HE1 1.0 1.932 4.592 513 257 A 15 HIS H A 15 HIS HD2 1.0 1.818 3.766 514 258 A 28 LEU H A 29 GLY H 1.0 1.965 4.985 515 259 A 6 PHE H A 7 HIS H 1.0 1.785 3.591 516 260 A 34 LYS H A 36 TRP H 1.0 1.990 6.574 517 261 A 29 GLY H A 30 LEU H 1.0 1.985 5.321 518 262 A 22 ARG H A 21 ILE H 1.0 1.950 4.794 519 263 A 34 LYS H A 36 TRP HD1 1.0 1.987 5.375 520 264 A 7 HIS HD2 A 7 HIS H 1.0 1.958 4.882 521 265 A 34 LYS H A 33 LEU H 1.0 1.948 4.754 522 266 A 28 LEU H A 27 GLN HE21 1.0 1.999 5.889 523 267 A 6 PHE HD2 A 7 HIS H 1.0 1.994 5.568 524 267 A 6 PHE HD1 A 7 HIS H 1.0 1.994 5.568 525 268 A 12 LYS H A 11 ASP H 1.0 1.725 3.309 526 269 A 6 PHE HE1 A 6 PHE H 1.0 1.999 5.907 527 269 A 6 PHE HE2 A 6 PHE H 1.0 1.999 5.907 528 270 A 6 PHE HD2 A 6 PHE H 1.0 1.886 4.202 529 270 A 6 PHE HD1 A 6 PHE H 1.0 1.886 4.202 530 271 A 36 TRP H A 36 TRP HE3 1.0 0.000 6.000 531 272 A 14 GLY H A 27 GLN HE21 1.0 2.000 6.104 532 273 A 36 TRP H A 36 TRP HD1 1.0 1.666 3.066 533 274 A 12 LYS H A 13 GLY H 1.0 1.687 3.151 534 275 A 14 GLY H A 27 GLN HE22 1.0 1.973 5.097 535 276 A 10 GLN HE21 A 10 GLN HE22 1.0 1.227 1.799 536 277 A 36 TRP HZ3 A 36 TRP HZ2 1.0 1.883 4.179 537 278 A 36 TRP HZ2 A 36 TRP HH2 1.0 1.472 2.418 538 279 A 6 PHE HE1 A 6 PHE HD2 1.0 0.000 6.000 539 279 A 6 PHE HE1 A 6 PHE HD1 1.0 0.000 6.000 540 279 A 6 PHE HE2 A 6 PHE HD2 1.0 0.000 6.000 541 279 A 6 PHE HE2 A 6 PHE HD1 1.0 0.000 6.000 542 280 A 36 TRP HZ3 A 36 TRP HH2 1.0 1.529 2.587 543 281 A 36 TRP HE3 A 36 TRP HH2 1.0 1.919 4.475 544 282 A 36 TRP HZ3 A 36 TRP HE3 1.0 1.460 2.382 545 283 A 27 GLN HE21 A 27 GLN HE22 1.0 1.409 2.241 546 284 A 36 TRP HE1 A 36 TRP HA 1.0 1.989 5.419 547 285 A 36 TRP HE1 A 33 LEU HA 1.0 2.000 6.062 548 286 A 36 TRP HE1 A 18 SER HB2 1.0 1.908 4.372 549 287 A 36 TRP HE1 A 19 PRO HD2 1.0 1.860 4.024 550 288 A 36 TRP HE1 A 36 TRP HB3 1.0 2.000 6.036 551 289 A 36 TRP HE1 A 36 TRP HB2 1.0 1.982 6.782 552 290 A 36 TRP HE1 A 18 SER HB3 1.0 1.966 4.994 553 291 A 36 TRP HE1 A 19 PRO HD3 1.0 1.848 3.944 554 292 A 36 TRP HE1 A 18 SER HA 1.0 1.908 4.374 555 293 A 36 TRP HE1 A 33 LEU HG 1.0 1.998 5.786 556 294 A 36 TRP HE1 A 33 LEU HB3 1.0 1.836 3.874 557 295 A 36 TRP HE1 A 33 LEU HD1% 1.0 1.941 4.683 558 296 A 36 TRP HE1 A 33 LEU HB2 1.0 1.898 4.298 559 297 A 36 TRP HE1 A 33 LEU HD2% 1.0 1.764 3.486 560 298 A 17 VAL HG1% A 17 VAL H 1.0 1.587 2.777 561 299 A 17 VAL H A 37 THR HG2% 1.0 1.989 5.423 562 300 A 17 VAL HG2% A 16 CYS H 1.0 1.945 4.737 563 301 A 17 VAL HG1% A 38 CYS H 1.0 1.978 5.180 564 302 A 39 CYS H A 37 THR HG2% 1.0 1.980 5.230 565 303 A 38 CYS H A 37 THR HG2% 1.0 1.698 3.190 566 304 A 17 VAL HG1% A 37 THR H 1.0 1.787 3.601 567 305 A 23 CYS H A 21 ILE HG2% 1.0 1.976 5.152 568 306 A 23 CYS H A 37 THR HG2% 1.0 0.000 6.000 569 307 A 37 THR HG2% A 37 THR H 1.0 1.869 4.087 570 308 A 40 LYS H A 37 THR HG2% 1.0 1.999 6.061 571 309 A 2 THR H A 2 THR HG2% 1.0 1.998 6.244 572 310 A 9 CYS H A 8 THR HG2% 1.0 1.867 4.067 573 311 A 23 CYS H A 22 ARG HG3 1.0 1.959 4.901 574 312 A 31 CYS H A 30 LEU HB2 1.0 1.871 4.095 575 313 A 24 LEU HB3 A 24 LEU H 1.0 1.845 3.929 576 314 A 23 CYS H A 22 ARG HG2 1.0 1.926 4.534 577 315 A 35 ARG H A 34 LYS HG3 1.0 1.994 5.560 578 316 A 30 LEU HB2 A 9 CYS H 1.0 1.982 5.252 579 317 A 30 LEU HB3 A 9 CYS H 1.0 1.945 4.731 580 318 A 35 ARG H A 34 LYS HG2 1.0 1.991 5.473 581 319 A 24 LEU HB2 A 24 LEU H 1.0 1.640 2.968 582 320 A 40 LYS H A 40 LYS HB2 1.0 1.708 3.234 583 321 A 40 LYS H A 40 LYS HB3 1.0 1.717 3.277 584 322 A 26 GLU HB2 A 26 GLU H 1.0 1.676 3.104 585 323 A 40 LYS H A 27 GLN HG3 1.0 1.998 6.270 586 324 A 26 GLU H A 26 GLU HB3 1.0 1.823 3.795 587 325 A 35 ARG H A 35 ARG HB3 1.0 1.922 4.498 588 326 A 10 GLN HB2 A 10 GLN H 1.0 1.710 3.244 589 327 A 10 GLN HB3 A 10 GLN H 1.0 0.000 6.000 590 328 A 40 LYS H A 26 GLU HB3 1.0 1.996 5.674 591 329 A 16 CYS H A 10 GLN HG2 1.0 2.000 5.916 592 330 A 16 CYS H A 10 GLN HG3 1.0 1.997 6.301 593 331 A 37 THR H A 18 SER HA 1.0 1.994 5.572 594 332 A 40 LYS H A 25 GLU HG2 1.0 1.999 5.791 595 333 A 26 GLU H A 26 GLU HG2 1.0 1.910 4.392 596 334 A 40 LYS H A 26 GLU HG3 1.0 1.994 6.462 597 335 A 26 GLU HG3 A 26 GLU H 1.0 1.849 3.955 598 336 A 35 ARG H A 35 ARG HB2 1.0 1.901 4.315 599 337 A 10 GLN H A 10 GLN HG2 1.0 1.853 3.979 600 338 A 39 CYS H A 39 CYS HB2 1.0 1.742 3.384 601 339 A 9 CYS HB3 A 16 CYS H 1.0 1.986 6.674 602 340 A 40 LYS H A 39 CYS HB2 1.0 1.915 4.433 603 341 A 23 CYS HB2 A 24 LEU H 1.0 1.944 4.712 604 342 A 23 CYS H A 23 CYS HB2 1.0 1.791 3.627 605 343 A 19 PRO HD3 A 37 THR H 1.0 1.996 5.608 606 344 A 9 CYS HB3 A 10 GLN H 1.0 1.810 3.724 607 345 A 9 CYS HB3 A 9 CYS H 1.0 0.000 6.000 608 346 A 10 GLN H A 10 GLN HG3 1.0 1.931 4.585 609 347 A 17 VAL H A 21 ILE HB 1.0 1.976 6.900 610 348 A 17 VAL H A 17 VAL HB 1.0 1.871 4.093 611 349 A 39 CYS HB2 A 17 VAL H 1.0 1.997 5.663 612 350 A 17 VAL H A 9 CYS HB2 1.0 1.964 7.116 613 351 A 39 CYS H A 38 CYS HB3 1.0 1.927 4.549 614 352 A 16 CYS H A 9 CYS HB2 1.0 1.998 6.252 615 353 A 15 HIS HB3 A 16 CYS H 1.0 0.000 6.000 616 354 A 38 CYS H A 38 CYS HB3 1.0 1.714 3.258 617 355 A 31 CYS H A 31 CYS HB2 1.0 1.768 3.506 618 356 A 37 THR H A 31 CYS HB2 1.0 1.980 6.828 619 357 A 17 VAL H A 36 TRP HB2 1.0 1.957 4.869 620 358 A 17 VAL H A 16 CYS HB3 1.0 1.896 4.280 621 359 A 39 CYS H A 39 CYS HB3 1.0 1.749 3.419 622 360 A 16 CYS H A 16 CYS HB3 1.0 1.797 3.655 623 361 A 39 CYS H A 14 GLY HA2 1.0 2.000 6.020 624 362 A 17 VAL H A 16 CYS HB2 1.0 1.969 5.037 625 363 A 16 CYS HB2 A 16 CYS H 1.0 0.000 6.000 626 364 A 39 CYS H A 38 CYS HB2 1.0 1.995 5.603 627 365 A 38 CYS H A 38 CYS HB2 1.0 0.000 6.000 628 366 A 31 CYS H A 31 CYS HB3 1.0 1.900 4.314 629 367 A 31 CYS HB3 A 16 CYS H 1.0 1.987 6.659 630 368 A 40 LYS H A 39 CYS HB3 1.0 1.853 3.977 631 369 A 36 TRP HB2 A 37 THR H 1.0 1.775 3.543 632 370 A 36 TRP HB3 A 37 THR H 1.0 0.000 6.000 633 371 A 23 CYS H A 23 CYS HB3 1.0 1.695 3.181 634 372 A 17 VAL H A 37 THR HB 1.0 1.952 4.798 635 373 A 38 CYS H A 37 THR HB 1.0 0.000 6.000 636 374 A 31 CYS H A 32 PRO HD2 1.0 1.988 6.616 637 375 A 31 CYS H A 32 PRO HD3 1.0 1.988 6.622 638 376 A 37 THR HB A 37 THR H 1.0 1.699 3.197 639 377 A 35 ARG H A 35 ARG HA 1.0 1.605 2.843 640 378 A 35 ARG H A 34 LYS HA 1.0 0.000 6.000 641 379 A 42 ILE HA A 24 LEU H 1.0 1.898 4.292 642 380 A 29 GLY HA2 A 9 CYS H 1.0 1.947 4.745 643 381 A 29 GLY HA3 A 9 CYS H 1.0 1.987 5.363 644 382 A 9 CYS H A 9 CYS HA 1.0 1.778 3.556 645 383 A 10 GLN HA A 10 GLN H 1.0 1.705 3.219 646 384 A 24 LEU H A 24 LEU HA 1.0 1.813 3.737 647 385 A 23 CYS H A 22 ARG HA 1.0 1.512 2.534 648 386 A 40 LYS H A 40 LYS HA 1.0 1.778 3.554 649 387 A 2 THR H A 1 ASP HA 1.0 1.867 4.071 650 388 A 38 CYS H A 37 THR HA 1.0 1.530 2.594 651 389 A 31 CYS H A 30 LEU HA 1.0 1.588 2.782 652 390 A 37 THR H A 37 THR HA 1.0 1.847 3.943 653 391 A 25 GLU HA A 26 GLU H 1.0 1.532 2.596 654 392 A 2 THR H A 2 THR HA 1.0 1.949 4.765 655 393 A 15 HIS H A 14 GLY HA3 1.0 1.675 3.101 656 394 A 15 HIS H A 41 GLU HA 1.0 0.000 6.000 657 395 A 8 THR HA A 9 CYS H 1.0 1.595 2.805 658 396 A 9 CYS H A 8 THR HB 1.0 1.708 3.234 659 397 A 10 GLN H A 8 THR HB 1.0 1.774 3.536 660 398 A 17 VAL H A 37 THR HA 1.0 1.996 6.338 661 399 A 17 VAL H A 17 VAL HA 1.0 1.799 3.665 662 400 A 17 VAL H A 38 CYS HA 1.0 1.999 5.809 663 401 A 39 CYS H A 26 GLU HA 1.0 2.000 5.980 664 402 A 16 CYS H A 15 HIS HA 1.0 1.533 2.601 665 403 A 38 CYS H A 38 CYS HA 1.0 1.965 4.975 666 404 A 39 CYS H A 38 CYS HA 1.0 1.797 3.651 667 405 A 40 LYS H A 26 GLU HA 1.0 1.777 3.549 668 406 A 23 CYS H A 23 CYS HA 1.0 1.773 3.531 669 407 A 39 CYS H A 39 CYS HA 1.0 1.845 3.927 670 408 A 38 CYS H A 39 CYS HA 1.0 1.995 6.377 671 409 A 31 CYS H A 31 CYS HA 1.0 1.882 4.172 672 410 A 40 LYS H A 39 CYS HA 1.0 1.541 2.629 673 411 A 39 CYS HA A 26 GLU H 1.0 1.994 5.558 674 412 A 15 HIS H A 38 CYS HA 1.0 0.000 6.000 675 413 A 7 HIS HA A 7 HIS HE1 1.0 0.000 6.000 676 414 A 15 HIS H A 39 CYS HA 1.0 1.998 5.802 677 415 A 17 VAL H A 16 CYS HA 1.0 1.538 2.620 678 416 A 39 CYS H A 16 CYS HA 1.0 1.889 4.227 679 417 A 16 CYS HA A 16 CYS H 1.0 1.790 3.620 680 418 A 38 CYS H A 16 CYS HA 1.0 1.999 6.121 681 419 A 16 CYS HA A 37 THR H 1.0 1.974 5.128 682 420 A 15 HIS H A 16 CYS HA 1.0 1.999 6.149 683 421 A 27 GLN H A 39 CYS HA 1.0 1.831 3.841 684 422 A 7 HIS HA A 7 HIS H 1.0 1.771 3.525 685 423 A 7 HIS HA A 30 LEU H 1.0 1.987 6.647 686 424 A 28 LEU H A 27 GLN HA 1.0 1.577 2.743 687 425 A 26 GLU HA A 27 GLN H 1.0 1.563 2.699 688 426 A 22 ARG H A 23 CYS HA 1.0 1.997 6.317 689 427 A 6 PHE HA A 7 HIS H 1.0 0.000 6.000 690 428 A 34 LYS H A 33 LEU HA 1.0 0.000 6.000 691 429 A 30 LEU HA A 30 LEU H 1.0 1.767 3.503 692 430 A 30 LEU H A 8 THR HB 1.0 1.984 5.310 693 431 A 5 ASP H A 5 ASP HA 1.0 1.759 3.463 694 432 A 3 THR H A 2 THR HA 1.0 1.739 3.373 695 433 A 28 LEU H A 28 LEU HA 1.0 1.721 3.291 696 434 A 8 THR HA A 7 HIS H 1.0 1.994 5.582 697 435 A 8 THR HA A 30 LEU H 1.0 1.700 3.204 698 436 A 4 SER H A 4 SER HA 1.0 1.601 2.827 699 437 A 5 ASP H A 4 SER HA 1.0 1.644 2.984 700 438 A 11 ASP HA A 11 ASP H 1.0 1.737 3.363 701 439 A 22 ARG H A 22 ARG HA 1.0 1.696 3.186 702 440 A 3 THR HB A 5 ASP H 1.0 1.997 6.293 703 441 A 10 GLN HA A 11 ASP H 1.0 1.882 4.174 704 442 A 30 LEU H A 9 CYS HA 1.0 1.958 4.876 705 443 A 34 LYS H A 34 LYS HA 1.0 1.654 3.018 706 444 A 22 ARG H A 21 ILE HA 1.0 1.484 2.450 707 445 A 29 GLY HA2 A 30 LEU H 1.0 1.733 3.347 708 446 A 29 GLY HA3 A 7 HIS H 1.0 1.979 6.833 709 447 A 4 SER H A 4 SER HB3 1.0 1.833 3.857 710 448 A 4 SER H A 4 SER HB2 1.0 1.852 3.970 711 449 A 29 GLY HA3 A 30 LEU H 1.0 1.648 2.996 712 450 A 4 SER HB3 A 5 ASP H 1.0 1.927 4.543 713 451 A 5 ASP H A 4 SER HB2 1.0 1.936 4.632 714 452 A 6 PHE H A 4 SER HB2 1.0 1.997 6.287 715 453 A 4 SER HB3 A 6 PHE H 1.0 1.991 6.567 716 454 A 29 GLY HA3 A 29 GLY H 1.0 1.804 3.690 717 455 A 27 GLN H A 38 CYS HB2 1.0 1.969 5.037 718 456 A 15 HIS HB2 A 10 GLN H 1.0 1.989 6.593 719 457 A 35 ARG H A 36 TRP HB3 1.0 1.993 6.465 720 458 A 15 HIS H A 15 HIS HB2 1.0 0.000 6.000 721 459 A 15 HIS H A 14 GLY HA2 1.0 1.669 3.077 722 460 A 7 HIS HB3 A 7 HIS H 1.0 1.839 3.889 723 461 A 7 HIS HB2 A 7 HIS H 1.0 1.738 3.366 724 462 A 7 HIS H A 6 PHE HB3 1.0 0.000 6.000 725 463 A 36 TRP HB3 A 34 LYS H 1.0 2.000 5.908 726 464 A 7 HIS HB2 A 30 LEU H 1.0 1.984 6.728 727 465 A 6 PHE H A 6 PHE HB3 1.0 1.809 3.717 728 466 A 10 GLN H A 11 ASP HB2 1.0 1.995 5.603 729 467 A 9 CYS H A 11 ASP HB2 1.0 1.980 5.212 730 468 A 10 GLN H A 9 CYS HB2 1.0 1.663 3.053 731 469 A 9 CYS H A 9 CYS HB2 1.0 1.691 3.163 732 470 A 15 HIS H A 15 HIS HB3 1.0 1.753 3.437 733 471 A 38 CYS HB3 A 27 GLN H 1.0 1.997 5.685 734 472 A 6 PHE HB2 A 7 HIS H 1.0 1.937 4.643 735 473 A 3 THR H A 1 ASP HB2 1.0 1.992 6.498 736 474 A 30 LEU H A 9 CYS HB2 1.0 1.997 5.721 737 475 A 38 CYS HB3 A 30 LEU H 1.0 1.997 6.277 738 476 A 11 ASP H A 11 ASP HB2 1.0 1.666 3.064 739 477 A 6 PHE HB2 A 5 ASP H 1.0 1.995 6.421 740 478 A 6 PHE HB2 A 6 PHE H 1.0 1.699 3.195 741 479 A 11 ASP HB3 A 11 ASP H 1.0 1.791 3.625 742 480 A 39 CYS HB2 A 27 GLN H 1.0 1.980 6.828 743 481 A 9 CYS HB3 A 30 LEU H 1.0 1.980 5.216 744 482 A 4 SER H A 5 ASP HB2 1.0 1.979 6.835 745 483 A 5 ASP H A 5 ASP HB2 1.0 1.741 3.381 746 484 A 5 ASP H A 5 ASP HB3 1.0 1.765 3.491 747 485 A 6 PHE H A 5 ASP HB3 1.0 1.928 4.558 748 486 A 11 ASP H A 10 GLN HG3 1.0 1.974 5.112 749 487 A 6 PHE H A 5 ASP HB2 1.0 1.888 4.220 750 488 A 15 HIS H A 10 GLN HG3 1.0 1.996 6.318 751 489 A 27 GLN H A 26 GLU HG3 1.0 1.977 5.159 752 490 A 27 GLN H A 26 GLU HG2 1.0 1.956 4.856 753 491 A 11 ASP H A 10 GLN HG2 1.0 1.995 5.611 754 492 A 41 GLU HG2 A 42 ILE H 1.0 1.961 4.929 755 493 A 36 TRP H A 35 ARG HB2 1.0 1.927 4.551 756 494 A 28 LEU H A 27 GLN HG3 1.0 1.872 4.100 757 495 A 27 GLN H A 26 GLU HB3 1.0 1.800 3.672 758 496 A 15 HIS H A 10 GLN HB3 1.0 2.000 5.972 759 497 A 27 GLN HG2 A 28 LEU H 1.0 1.944 4.718 760 498 A 22 ARG H A 21 ILE HB 1.0 1.891 4.239 761 499 A 10 GLN HB3 A 11 ASP H 1.0 1.851 3.969 762 500 A 10 GLN HB2 A 11 ASP H 1.0 1.825 3.811 763 501 A 41 GLU HB3 A 42 ILE H 1.0 1.872 4.100 764 502 A 41 GLU H A 41 GLU HB3 1.0 1.903 4.331 765 503 A 12 LYS HB3 A 13 GLY H 1.0 1.957 4.859 766 504 A 28 LEU H A 28 LEU HG 1.0 1.613 2.869 767 505 A 34 LYS H A 34 LYS HG2 1.0 1.769 3.511 768 506 A 34 LYS H A 34 LYS HG3 1.0 1.838 3.882 769 507 A 28 LEU H A 28 LEU HB3 1.0 1.774 3.538 770 508 A 30 LEU HB3 A 7 HIS H 1.0 1.991 5.481 771 509 A 22 ARG H A 22 ARG HG2 1.0 1.909 4.385 772 510 A 30 LEU HB3 A 30 LEU H 1.0 1.642 2.976 773 511 A 30 LEU HB2 A 30 LEU H 1.0 1.799 3.661 774 512 A 22 ARG H A 22 ARG HG3 1.0 1.933 4.597 775 513 A 42 ILE H A 41 GLU HB2 1.0 1.923 4.501 776 514 A 41 GLU H A 41 GLU HB2 1.0 1.864 4.046 777 515 A 42 ILE HB A 42 ILE H 1.0 0.000 6.000 778 516 A 12 LYS HB2 A 11 ASP H 1.0 1.999 5.777 779 517 A 41 GLU H A 40 LYS HB3 1.0 0.000 6.000 780 518 A 12 LYS HB2 A 13 GLY H 1.0 1.938 4.648 781 519 A 14 GLY H A 40 LYS HB3 1.0 1.924 4.522 782 520 A 28 LEU HB2 A 29 GLY H 1.0 1.910 4.400 783 521 A 28 LEU HB3 A 29 GLY H 1.0 1.853 3.973 784 522 A 15 HIS HE1 A 42 ILE HG13 1.0 1.939 4.669 785 523 A 7 HIS H A 8 THR HG2% 1.0 1.954 4.828 786 524 A 30 LEU H A 8 THR HG2% 1.0 1.953 4.821 787 525 A 27 GLN H A 37 THR HG2% 1.0 1.990 5.432 788 526 A 22 ARG H A 21 ILE HG13 1.0 1.986 5.342 789 527 A 22 ARG H A 21 ILE HG12 1.0 1.994 5.556 790 528 A 4 SER H A 3 THR HG2% 1.0 1.845 3.929 791 529 A 5 ASP H A 3 THR HG2% 1.0 1.998 5.726 792 530 A 12 LYS HG3 A 11 ASP H 1.0 1.993 6.481 793 531 A 42 ILE H A 42 ILE HG13 1.0 1.865 4.061 794 532 A 12 LYS HG3 A 13 GLY H 1.0 2.000 5.892 795 533 A 25 GLU H A 24 LEU HB2 1.0 1.887 4.211 796 534 A 25 GLU H A 24 LEU HB3 1.0 1.940 4.678 797 535 A 15 HIS HE1 A 42 ILE HG12 1.0 1.999 5.799 798 536 A 17 VAL HG2% A 15 HIS HE1 1.0 1.813 3.741 799 537 A 15 HIS HE1 A 42 ILE HD1% 1.0 1.942 4.688 800 538 A 28 LEU H A 28 LEU HD2% 1.0 1.934 4.614 801 539 A 34 LYS H A 33 LEU HB3 1.0 1.733 3.343 802 540 A 34 LYS H A 33 LEU HG 1.0 1.965 4.971 803 541 A 22 ARG H A 21 ILE HG2% 1.0 1.664 3.056 804 542 A 22 ARG H A 21 ILE HD1% 1.0 1.925 4.527 805 543 A 34 LYS H A 33 LEU HD1% 1.0 1.790 3.620 806 544 A 30 LEU HD2% A 30 LEU H 1.0 1.832 3.850 807 545 A 42 ILE HG12 A 42 ILE H 1.0 1.871 4.097 808 546 A 42 ILE H A 42 ILE HG2% 1.0 1.902 4.332 809 547 A 34 LYS H A 33 LEU HB2 1.0 1.886 4.206 810 548 A 34 LYS H A 33 LEU HD2% 1.0 1.964 4.958 811 549 A 36 TRP H A 33 LEU HB2 1.0 1.987 5.365 812 550 A 36 TRP H A 33 LEU HD2% 1.0 1.989 6.611 813 551 A 36 TRP HZ2 A 33 LEU HD2% 1.0 1.765 3.495 814 552 A 36 TRP HD1 A 33 LEU HD2% 1.0 1.885 4.201 815 553 A 36 TRP HH2 A 33 LEU HD2% 1.0 1.858 4.014 816 554 A 36 TRP HZ3 A 33 LEU HD2% 1.0 1.963 4.957 817 555 A 36 TRP HE3 A 33 LEU HD2% 1.0 1.972 5.080 818 556 A 36 TRP HZ2 A 33 LEU HB2 1.0 1.980 6.824 819 557 A 36 TRP HD1 A 33 LEU HB2 1.0 1.778 3.560 820 558 A 33 LEU H A 33 LEU HB2 1.0 1.776 3.546 821 559 A 36 TRP HE3 A 33 LEU HB2 1.0 2.000 6.012 822 560 A 36 TRP HZ2 A 33 LEU HD1% 1.0 1.989 5.437 823 561 A 36 TRP HD1 A 33 LEU HD1% 1.0 1.968 5.030 824 562 A 33 LEU H A 33 LEU HD1% 1.0 1.916 4.442 825 563 A 21 ILE H A 21 ILE HD1% 1.0 1.930 4.568 826 564 A 21 ILE H A 21 ILE HG2% 1.0 1.864 4.052 827 565 A 17 VAL HG1% A 21 ILE H 1.0 1.907 4.371 828 566 A 36 TRP H A 33 LEU HB3 1.0 1.964 4.952 829 567 A 20 LYS H A 21 ILE HG2% 1.0 1.999 6.181 830 568 A 20 LYS H A 21 ILE HD1% 1.0 1.998 5.736 831 569 A 18 SER H A 21 ILE HD1% 1.0 1.909 4.383 832 570 A 18 SER H A 21 ILE HG2% 1.0 1.970 5.058 833 571 A 36 TRP HD1 A 33 LEU HB3 1.0 1.751 3.425 834 572 A 33 LEU H A 33 LEU HB3 1.0 1.846 3.934 835 573 A 17 VAL HG2% A 15 HIS HD2 1.0 1.732 3.336 836 574 A 15 HIS HD2 A 42 ILE HD1% 1.0 1.943 4.703 837 575 A 33 LEU H A 33 LEU HG 1.0 1.786 3.600 838 576 A 36 TRP HD1 A 33 LEU HG 1.0 1.992 5.498 839 577 A 21 ILE H A 21 ILE HG12 1.0 1.876 4.130 840 578 A 21 ILE H A 21 ILE HG13 1.0 1.797 3.653 841 579 A 20 LYS H A 21 ILE HG13 1.0 1.983 5.291 842 580 A 21 ILE H A 20 LYS HB2 1.0 1.932 4.592 843 581 A 20 LYS H A 20 LYS HB2 1.0 1.673 3.093 844 582 A 18 SER H A 21 ILE HG13 1.0 1.922 4.502 845 583 A 18 SER H A 21 ILE HG12 1.0 1.919 4.477 846 584 A 6 PHE HD1 A 3 THR HG2% 1.0 1.999 6.237 847 584 A 6 PHE HD2 A 3 THR HG2% 1.0 1.999 6.237 848 585 A 6 PHE HE2 A 8 THR HG2% 1.0 1.994 5.570 849 585 A 6 PHE HE1 A 8 THR HG2% 1.0 1.994 5.570 850 586 A 6 PHE HZ A 8 THR HG2% 1.0 1.977 5.155 851 587 A 6 PHE HD1 A 8 THR HG2% 1.0 1.991 5.467 852 587 A 6 PHE HD2 A 8 THR HG2% 1.0 1.991 5.467 853 588 A 27 GLN HE21 A 12 LYS HG3 1.0 2.000 6.050 854 589 A 12 LYS H A 12 LYS HG3 1.0 1.824 3.800 855 590 A 22 ARG HE A 22 ARG HG3 1.0 1.996 5.650 856 591 A 6 PHE HD2 A 30 LEU HB2 1.0 1.969 5.023 857 591 A 6 PHE HD1 A 30 LEU HB2 1.0 1.969 5.023 858 592 A 12 LYS H A 12 LYS HG2 1.0 1.850 3.964 859 593 A 30 LEU HB3 A 6 PHE HD2 1.0 1.970 5.042 860 593 A 30 LEU HB3 A 6 PHE HD1 1.0 1.970 5.042 861 594 A 22 ARG HE A 22 ARG HG2 1.0 1.989 5.419 862 595 A 12 LYS H A 12 LYS HB2 1.0 1.685 3.139 863 596 A 21 ILE H A 20 LYS HB3 1.0 1.967 5.015 864 597 A 20 LYS H A 20 LYS HB3 1.0 1.732 3.342 865 598 A 20 LYS H A 21 ILE HB 1.0 1.997 5.701 866 599 A 21 ILE H A 21 ILE HB 1.0 1.633 2.939 867 600 A 25 GLU H A 41 GLU HB3 1.0 2.000 6.038 868 601 A 27 GLN HE21 A 12 LYS HB2 1.0 1.954 4.832 869 602 A 22 ARG HE A 42 ILE HB 1.0 1.959 4.891 870 603 A 15 HIS HD2 A 41 GLU HB2 1.0 1.990 5.462 871 604 A 27 GLN HG2 A 27 GLN HE21 1.0 1.916 4.440 872 605 A 33 LEU H A 32 PRO HG2 1.0 1.978 5.178 873 606 A 36 TRP HD1 A 35 ARG HB3 1.0 0.000 6.000 874 607 A 18 SER H A 21 ILE HB 1.0 1.939 4.657 875 608 A 18 SER H A 17 VAL HB 1.0 1.646 2.990 876 609 A 35 ARG HE A 35 ARG HB3 1.0 1.964 4.966 877 610 A 27 GLN HE21 A 12 LYS HB3 1.0 1.954 4.826 878 611 A 36 TRP HZ3 A 17 VAL HB 1.0 2.000 6.080 879 612 A 36 TRP HE3 A 17 VAL HB 1.0 1.996 5.680 880 613 A 25 GLU H A 25 GLU HG2 1.0 1.995 6.417 881 614 A 25 GLU H A 25 GLU HG3 1.0 1.997 5.685 882 615 A 10 GLN HE21 A 10 GLN HG2 1.0 1.865 4.053 883 616 A 10 GLN HE21 A 10 GLN HG3 1.0 1.821 3.783 884 617 A 20 LYS H A 18 SER HA 1.0 1.988 5.398 885 618 A 36 TRP HZ2 A 18 SER HA 1.0 1.972 5.084 886 619 A 36 TRP HD1 A 18 SER HA 1.0 1.873 4.113 887 620 A 18 SER H A 18 SER HA 1.0 1.784 3.588 888 621 A 36 TRP HD1 A 35 ARG HB2 1.0 0.000 6.000 889 622 A 35 ARG HE A 35 ARG HB2 1.0 1.987 5.363 890 623 A 33 LEU H A 32 PRO HB3 1.0 1.976 5.148 891 624 A 27 GLN HE21 A 27 GLN HG3 1.0 1.878 4.148 892 625 A 36 TRP HZ3 A 18 SER HA 1.0 1.987 5.383 893 626 A 36 TRP HE3 A 18 SER HA 1.0 1.953 4.823 894 627 A 9 CYS HB3 A 29 GLY H 1.0 1.997 6.357 895 628 A 39 CYS HB2 A 41 GLU H 1.0 1.998 6.286 896 629 A 36 TRP H A 19 PRO HD3 1.0 1.996 5.648 897 630 A 11 ASP HB3 A 13 GLY H 1.0 1.994 6.410 898 631 A 25 GLU H A 23 CYS HB2 1.0 1.996 6.352 899 632 A 20 LYS H A 19 PRO HD3 1.0 1.960 4.912 900 633 A 36 TRP HZ2 A 19 PRO HD3 1.0 1.998 6.278 901 634 A 6 PHE HD2 A 5 ASP HB2 1.0 2.000 5.932 902 634 A 6 PHE HD1 A 5 ASP HB2 1.0 2.000 5.932 903 635 A 39 CYS HB2 A 15 HIS HD2 1.0 1.974 5.110 904 636 A 12 LYS H A 11 ASP HB3 1.0 1.880 4.158 905 637 A 7 HIS HD2 A 11 ASP HB3 1.0 1.962 4.936 906 638 A 36 TRP HE3 A 19 PRO HD3 1.0 1.996 6.350 907 639 A 38 CYS HB3 A 29 GLY H 1.0 1.973 5.101 908 640 A 36 TRP H A 31 CYS HB2 1.0 1.978 5.184 909 641 A 39 CYS HB3 A 42 ILE H 1.0 1.998 6.240 910 642 A 36 TRP H A 36 TRP HB2 1.0 1.807 3.709 911 643 A 36 TRP HB3 A 36 TRP H 1.0 1.679 3.119 912 644 A 13 GLY H A 14 GLY HA2 1.0 1.978 5.192 913 645 A 14 GLY H A 14 GLY HA2 1.0 1.675 3.099 914 646 A 10 GLN HE21 A 9 CYS HB2 1.0 1.992 5.514 915 647 A 20 LYS H A 18 SER HB3 1.0 1.963 4.941 916 648 A 36 TRP HZ2 A 18 SER HB3 1.0 1.888 4.216 917 649 A 36 TRP HD1 A 19 PRO HD3 1.0 1.729 3.323 918 650 A 18 SER H A 18 SER HB3 1.0 1.656 3.028 919 651 A 12 LYS H A 11 ASP HB2 1.0 1.820 3.776 920 652 A 7 HIS HD2 A 12 LYS HE2 1.0 1.965 4.981 921 653 A 6 PHE HD2 A 6 PHE HB2 1.0 1.737 3.359 922 653 A 6 PHE HD1 A 6 PHE HB2 1.0 1.737 3.359 923 654 A 15 HIS HB3 A 15 HIS HD2 1.0 1.733 3.345 924 655 A 36 TRP HZ3 A 18 SER HB3 1.0 1.976 5.148 925 656 A 25 GLU H A 23 CYS HB3 1.0 0.000 6.000 926 657 A 20 LYS H A 19 PRO HD2 1.0 1.857 4.001 927 658 A 36 TRP HZ2 A 19 PRO HD2 1.0 1.993 5.517 928 659 A 36 TRP HD1 A 36 TRP HB2 1.0 1.854 3.982 929 660 A 6 PHE HE1 A 6 PHE HB3 1.0 1.964 4.952 930 660 A 6 PHE HE2 A 6 PHE HB3 1.0 1.964 4.952 931 661 A 36 TRP HB3 A 36 TRP HD1 1.0 1.804 3.690 932 662 A 36 TRP HD1 A 19 PRO HD2 1.0 1.831 3.845 933 663 A 18 SER H A 19 PRO HD2 1.0 1.969 5.035 934 664 A 7 HIS HD2 A 7 HIS HB2 1.0 0.000 6.000 935 665 A 7 HIS HD2 A 7 HIS HB3 1.0 0.000 6.000 936 666 A 36 TRP HB3 A 33 LEU H 1.0 1.962 4.940 937 667 A 6 PHE HD2 A 6 PHE HB3 1.0 1.765 3.493 938 667 A 6 PHE HD1 A 6 PHE HB3 1.0 1.765 3.493 939 668 A 27 GLN HE21 A 14 GLY HA2 1.0 1.999 5.831 940 669 A 36 TRP HZ3 A 36 TRP HB2 1.0 0.000 6.000 941 670 A 36 TRP HZ3 A 16 CYS HB3 1.0 1.817 3.759 942 671 A 36 TRP HE3 A 16 CYS HB3 1.0 1.650 3.004 943 672 A 36 TRP HE3 A 36 TRP HB2 1.0 1.696 3.186 944 673 A 36 TRP HE3 A 16 CYS HB2 1.0 1.783 3.581 945 674 A 36 TRP HZ3 A 16 CYS HB2 1.0 1.911 4.403 946 675 A 18 SER H A 18 SER HB2 1.0 1.782 3.580 947 676 A 36 TRP HD1 A 18 SER HB2 1.0 1.973 5.097 948 677 A 36 TRP HH2 A 18 SER HB2 1.0 1.961 4.921 949 678 A 36 TRP HZ3 A 18 SER HB2 1.0 1.997 5.691 950 679 A 36 TRP HE3 A 18 SER HB2 1.0 1.996 6.382 951 680 A 36 TRP HE3 A 31 CYS HB3 1.0 1.967 5.013 952 681 A 36 TRP HZ3 A 31 CYS HB3 1.0 1.985 6.707 953 682 A 33 LEU H A 31 CYS HB3 1.0 1.881 4.167 954 683 A 36 TRP HD1 A 31 CYS HB3 1.0 2.000 6.098 955 684 A 29 GLY H A 38 CYS HB2 1.0 1.977 5.169 956 685 A 36 TRP H A 31 CYS HB3 1.0 1.988 5.384 957 686 A 20 LYS H A 18 SER HB2 1.0 1.929 4.559 958 687 A 36 TRP HZ2 A 18 SER HB2 1.0 1.875 4.127 959 688 A 14 GLY H A 13 GLY HA3 1.0 1.868 4.074 960 689 A 13 GLY H A 13 GLY HA3 1.0 1.580 2.752 961 690 A 29 GLY HA2 A 29 GLY H 1.0 1.823 3.795 962 691 A 36 TRP H A 35 ARG HA 1.0 1.833 3.855 963 692 A 42 ILE HA A 42 ILE H 1.0 1.811 3.731 964 693 A 36 TRP H A 34 LYS HA 1.0 1.863 4.041 965 694 A 21 ILE H A 21 ILE HA 1.0 1.718 3.280 966 695 A 20 LYS H A 20 LYS HA 1.0 1.719 3.281 967 696 A 6 PHE HE1 A 4 SER HB2 1.0 2.000 6.144 968 696 A 6 PHE HE2 A 4 SER HB2 1.0 2.000 6.144 969 697 A 6 PHE HZ A 4 SER HB2 1.0 2.000 5.980 970 698 A 4 SER HB3 A 6 PHE HZ 1.0 1.996 5.644 971 699 A 12 LYS H A 13 GLY HA3 1.0 1.988 5.392 972 700 A 33 LEU H A 32 PRO HD2 1.0 1.974 5.110 973 701 A 33 LEU H A 32 PRO HD3 1.0 1.892 4.248 974 702 A 6 PHE HD2 A 4 SER HB3 1.0 1.996 5.658 975 702 A 6 PHE HD1 A 4 SER HB3 1.0 1.996 5.658 976 703 A 6 PHE HD2 A 4 SER HB2 1.0 2.000 6.146 977 703 A 6 PHE HD1 A 4 SER HB2 1.0 2.000 6.146 978 704 A 36 TRP HE3 A 32 PRO HD3 1.0 1.997 6.285 979 705 A 36 TRP HD1 A 35 ARG HA 1.0 1.969 5.045 980 706 A 36 TRP HD1 A 34 LYS HA 1.0 1.975 5.117 981 707 A 12 LYS H A 13 GLY HA2 1.0 0.000 6.000 982 708 A 33 LEU H A 32 PRO HA 1.0 1.899 4.303 983 709 A 14 GLY H A 13 GLY HA2 1.0 1.752 3.428 984 710 A 13 GLY HA2 A 13 GLY H 1.0 1.694 3.176 985 711 A 25 GLU H A 24 LEU HA 1.0 1.920 4.476 986 712 A 6 PHE H A 4 SER HA 1.0 1.977 5.167 987 713 A 28 LEU HA A 29 GLY H 1.0 1.550 2.654 988 714 A 41 GLU H A 40 LYS HA 1.0 1.775 3.539 989 715 A 14 GLY H A 14 GLY HA3 1.0 1.772 3.530 990 716 A 12 LYS HA A 13 GLY H 1.0 1.763 3.485 991 717 A 21 ILE H A 19 PRO HA 1.0 1.916 4.442 992 718 A 20 LYS H A 19 PRO HA 1.0 1.803 3.685 993 719 A 6 PHE HE1 A 4 SER HA 1.0 1.998 5.786 994 719 A 6 PHE HE2 A 4 SER HA 1.0 1.998 5.786 995 720 A 6 PHE HD2 A 8 THR HA 1.0 1.967 5.009 996 720 A 6 PHE HD1 A 8 THR HA 1.0 1.967 5.009 997 721 A 15 HIS HD2 A 14 GLY HA3 1.0 1.846 3.936 998 722 A 33 LEU H A 33 LEU HA 1.0 1.808 3.714 999 723 A 6 PHE HZ A 4 SER HA 1.0 1.969 5.039 1000 724 A 6 PHE HE1 A 6 PHE HA 1.0 0.000 6.000 1001 724 A 6 PHE HE2 A 6 PHE HA 1.0 0.000 6.000 1002 725 A 7 HIS HD2 A 6 PHE HA 1.0 1.944 4.710 1003 726 A 6 PHE HD2 A 6 PHE HA 1.0 0.000 6.000 1004 726 A 6 PHE HD1 A 6 PHE HA 1.0 0.000 6.000 1005 727 A 15 HIS HD2 A 41 GLU HA 1.0 1.812 3.740 1006 728 A 36 TRP HZ3 A 17 VAL HA 1.0 1.774 3.536 1007 729 A 36 TRP HE3 A 17 VAL HA 1.0 1.758 3.456 1008 730 A 15 HIS HD2 A 38 CYS HA 1.0 0.000 6.000 1009 731 A 36 TRP HH2 A 17 VAL HA 1.0 1.955 4.847 1010 732 A 18 SER H A 17 VAL HA 1.0 1.503 2.509 1011 733 A 36 TRP HA A 36 TRP HD1 1.0 1.736 3.358 1012 734 A 6 PHE H A 5 ASP HA 1.0 1.564 2.698 1013 735 A 41 GLU HA A 42 ILE H 1.0 1.539 2.619 1014 736 A 41 GLU H A 41 GLU HA 1.0 1.854 3.982 1015 737 A 25 GLU H A 25 GLU HA 1.0 1.874 4.114 1016 738 A 36 TRP HA A 36 TRP H 1.0 1.773 3.529 1017 739 A 36 TRP HZ2 A 17 VAL HA 1.0 1.991 6.543 1018 740 A 21 ILE H A 17 VAL HA 1.0 1.977 6.887 1019 741 A 7 HIS HA A 6 PHE H 1.0 1.996 6.368 1020 742 A 41 GLU H A 39 CYS HA 1.0 1.989 5.421 1021 743 A 7 HIS HD2 A 7 HIS HA 1.0 1.845 3.927 1022 744 A 6 PHE HD2 A 7 HIS HA 1.0 1.999 6.185 1023 744 A 6 PHE HD1 A 7 HIS HA 1.0 1.999 6.185 1024 745 A 33 LEU H A 31 CYS HA 1.0 1.994 5.584 1025 746 A 15 HIS HD2 A 39 CYS HA 1.0 1.996 6.320 1026 747 A 36 TRP HE3 A 16 CYS HA 1.0 1.938 4.650 1027 748 A 36 TRP HZ3 A 16 CYS HA 1.0 1.997 5.677 1028 749 A 27 GLN HE22 A 27 GLN HA 1.0 1.991 6.551 1029 750 A 10 GLN HE22 A 32 PRO HD3 1.0 1.993 6.465 1030 751 A 10 GLN HE22 A 32 PRO HD2 1.0 1.995 6.429 1031 752 A 38 CYS HB3 A 27 GLN HE22 1.0 1.998 5.726 1032 753 A 27 GLN HE22 A 12 LYS HE2 1.0 1.989 6.597 1033 754 A 10 GLN HE22 A 10 GLN HG3 1.0 1.934 4.610 1034 755 A 10 GLN HE22 A 10 GLN HG2 1.0 1.959 4.897 1035 756 A 10 GLN HB2 A 10 GLN HE22 1.0 1.997 6.325 1036 757 A 27 GLN HE22 A 27 GLN HG3 1.0 1.937 4.643 1037 758 A 27 GLN HE22 A 12 LYS HB3 1.0 1.875 4.127 1038 759 A 27 GLN HG2 A 27 GLN HE22 1.0 1.960 4.906 1039 760 A 27 GLN HE22 A 12 LYS HB2 1.0 1.907 4.365 1040 761 A 27 GLN HE22 A 28 LEU HG 1.0 1.994 5.568 1041 762 A 27 GLN HE22 A 12 LYS HG3 1.0 1.987 5.381 1042 763 A 10 GLN HE22 A 8 THR HG2% 1.0 1.987 6.649 1043 764 A 36 TRP HZ3 A 33 LEU HD1% 1.0 1.986 6.668 1044 765 A 36 TRP HE3 A 33 LEU HD1% 1.0 1.983 6.761 1045 766 A 16 CYS HA A 38 CYS HA 1.0 1.910 4.388 1046 767 A 16 CYS HA A 17 VAL HA 1.0 1.977 5.167 1047 768 A 16 CYS HA A 37 THR HA 1.0 1.954 7.252 1048 769 A 26 GLU HA A 39 CYS HA 1.0 1.816 3.758 1049 770 A 30 LEU HA A 31 CYS HA 1.0 1.964 7.118 1050 771 A 40 LYS HA A 39 CYS HA 1.0 1.994 5.546 1051 772 A 8 THR HA A 7 HIS HA 1.0 1.993 5.539 1052 773 A 32 PRO HA A 31 CYS HA 1.0 1.987 5.365 1053 774 A 14 GLY HA3 A 15 HIS HA 1.0 1.902 7.872 1054 775 A 8 THR HA A 8 THR HB 1.0 1.630 2.930 1055 776 A 22 ARG HA A 23 CYS HA 1.0 1.982 5.272 1056 777 A 10 GLN HA A 15 HIS HA 1.0 1.992 5.504 1057 778 A 42 ILE HA A 23 CYS HA 1.0 1.881 4.163 1058 779 A 16 CYS HA A 37 THR HB 1.0 1.986 6.682 1059 780 A 16 CYS HA A 31 CYS HB3 1.0 1.990 6.580 1060 781 A 16 CYS HA A 38 CYS HB2 1.0 1.974 6.938 1061 782 A 16 CYS HB2 A 16 CYS HA 1.0 1.920 4.480 1062 783 A 16 CYS HA A 16 CYS HB3 1.0 1.797 3.655 1063 784 A 36 TRP HB2 A 16 CYS HA 1.0 2.000 5.988 1064 785 A 16 CYS HA A 9 CYS HB2 1.0 1.995 6.409 1065 786 A 39 CYS HB2 A 16 CYS HA 1.0 1.999 5.897 1066 787 A 17 VAL HB A 16 CYS HA 1.0 1.991 6.533 1067 788 A 37 THR HG2% A 16 CYS HA 1.0 1.995 6.395 1068 789 A 9 CYS HA A 8 THR HB 1.0 1.994 6.468 1069 790 A 41 GLU HA A 42 ILE HA 1.0 1.988 5.378 1070 791 A 33 LEU HA A 34 LYS HA 1.0 1.977 5.167 1071 792 A 2 THR HA A 2 THR HB 1.0 1.731 3.335 1072 793 A 8 THR HA A 9 CYS HA 1.0 1.995 6.413 1073 794 A 22 ARG HA A 21 ILE HA 1.0 1.998 6.258 1074 795 A 37 THR HB A 37 THR HA 1.0 1.788 3.606 1075 796 A 36 TRP HA A 37 THR HB 1.0 1.984 5.314 1076 797 A 37 THR HB A 38 CYS HA 1.0 1.995 5.611 1077 798 A 29 GLY HA2 A 9 CYS HA 1.0 1.927 4.545 1078 799 A 13 GLY HA2 A 13 GLY HA3 1.0 1.651 3.009 1079 800 A 32 PRO HA A 32 PRO HD3 1.0 1.995 5.597 1080 801 A 29 GLY HA3 A 9 CYS HA 1.0 1.893 4.257 1081 802 A 4 SER HB3 A 4 SER HA 1.0 1.845 3.931 1082 803 A 4 SER HA A 4 SER HB2 1.0 1.796 3.650 1083 804 A 31 CYS HA A 32 PRO HD3 1.0 1.678 3.114 1084 805 A 31 CYS HA A 32 PRO HD2 1.0 1.668 3.072 1085 806 A 31 CYS HA A 31 CYS HB3 1.0 1.939 4.663 1086 807 A 30 LEU HA A 31 CYS HB3 1.0 1.487 10.563 1087 808 A 38 CYS HB2 A 37 THR HA 1.0 0.000 6.000 1088 809 A 18 SER HB2 A 17 VAL HA 1.0 1.993 5.551 1089 810 A 38 CYS HA A 38 CYS HB2 1.0 1.988 5.372 1090 811 A 7 HIS HB2 A 7 HIS HA 1.0 1.776 3.542 1091 812 A 31 CYS HA A 16 CYS HB3 1.0 1.993 5.539 1092 813 A 31 CYS HA A 31 CYS HB2 1.0 1.857 4.007 1093 814 A 16 CYS HB2 A 15 HIS HA 1.0 0.000 6.000 1094 815 A 36 TRP HA A 19 PRO HD2 1.0 1.963 4.951 1095 816 A 16 CYS HB3 A 17 VAL HA 1.0 1.986 5.360 1096 817 A 16 CYS HB3 A 15 HIS HA 1.0 1.952 4.810 1097 818 A 36 TRP HB3 A 36 TRP HA 1.0 1.772 3.526 1098 819 A 36 TRP HA A 36 TRP HB2 1.0 1.876 4.132 1099 820 A 6 PHE HA A 6 PHE HB3 1.0 1.878 4.142 1100 821 A 15 HIS HB3 A 15 HIS HA 1.0 1.740 3.374 1101 822 A 39 CYS HB2 A 39 CYS HA 1.0 1.838 3.886 1102 823 A 11 ASP HB3 A 7 HIS HA 1.0 1.816 8.606 1103 824 A 36 TRP HA A 19 PRO HD3 1.0 1.864 4.056 1104 825 A 23 CYS HB2 A 23 CYS HA 1.0 1.859 4.021 1105 826 A 28 LEU HA A 38 CYS HB2 1.0 1.998 6.212 1106 827 A 38 CYS HB2 A 9 CYS HA 1.0 1.977 6.877 1107 828 A 29 GLY HA2 A 29 GLY HA3 1.0 1.551 2.659 1108 829 A 32 PRO HD2 A 32 PRO HD3 1.0 1.512 2.538 1109 830 A 4 SER HB3 A 4 SER HB2 1.0 1.327 2.031 1110 831 A 31 CYS HB3 A 32 PRO HD2 1.0 2.000 5.886 1111 832 A 31 CYS HB3 A 32 PRO HD3 1.0 1.960 4.904 1112 833 A 29 GLY HA2 A 38 CYS HB2 1.0 1.967 7.047 1113 834 A 16 CYS HB2 A 32 PRO HD3 1.0 2.000 5.964 1114 835 A 14 GLY HA3 A 14 GLY HA2 1.0 1.750 3.420 1115 836 A 39 CYS HB3 A 42 ILE HA 1.0 1.975 5.133 1116 837 A 16 CYS HB3 A 32 PRO HD3 1.0 1.998 6.248 1117 838 A 18 SER HB3 A 17 VAL HA 1.0 1.975 5.139 1118 839 A 9 CYS HB2 A 8 THR HB 1.0 1.896 7.934 1119 840 A 6 PHE HA A 6 PHE HB2 1.0 1.915 4.433 1120 841 A 15 HIS HB3 A 41 GLU HA 1.0 1.998 6.290 1121 842 A 9 CYS HB3 A 8 THR HB 1.0 1.970 7.010 1122 843 A 5 ASP HA A 5 ASP HB3 1.0 1.897 4.283 1123 844 A 5 ASP HA A 5 ASP HB2 1.0 1.906 4.358 1124 845 A 11 ASP HA A 11 ASP HB2 1.0 1.806 3.704 1125 846 A 1 ASP HA A 1 ASP HB3 1.0 1.995 5.587 1126 847 A 3 THR HA A 1 ASP HB2 1.0 1.938 4.654 1127 848 A 9 CYS HB3 A 8 THR HA 1.0 1.999 6.219 1128 849 A 9 CYS HB2 A 9 CYS HA 1.0 1.989 5.415 1129 850 A 32 PRO HA A 31 CYS HB2 1.0 1.988 5.396 1130 851 A 36 TRP HB2 A 32 PRO HD3 1.0 1.998 6.282 1131 852 A 38 CYS HB3 A 29 GLY HA2 1.0 1.974 6.940 1132 853 A 29 GLY HA2 A 9 CYS HB2 1.0 1.892 7.964 1133 854 A 39 CYS HB2 A 37 THR HB 1.0 1.999 6.221 1134 855 A 31 CYS HB2 A 32 PRO HD3 1.0 1.942 4.690 1135 856 A 31 CYS HB2 A 32 PRO HD2 1.0 1.986 5.358 1136 857 A 4 SER HB3 A 6 PHE HB3 1.0 1.776 8.898 1137 858 A 16 CYS HB3 A 32 PRO HD2 1.0 2.000 5.996 1138 859 A 9 CYS HB3 A 29 GLY HA3 1.0 1.975 6.919 1139 860 A 16 CYS HB2 A 31 CYS HB3 1.0 1.970 5.048 1140 861 A 19 PRO HD2 A 18 SER HB2 1.0 1.775 3.543 1141 862 A 16 CYS HB2 A 16 CYS HB3 1.0 1.450 2.356 1142 863 A 31 CYS HB3 A 16 CYS HB3 1.0 1.978 5.172 1143 864 A 36 TRP HB3 A 31 CYS HB3 1.0 1.929 4.565 1144 865 A 36 TRP HB2 A 31 CYS HB3 1.0 1.854 3.986 1145 866 A 31 CYS HB2 A 31 CYS HB3 1.0 1.539 2.621 1146 867 A 38 CYS HB3 A 38 CYS HB2 1.0 1.616 2.880 1147 868 A 18 SER HB2 A 18 SER HB3 1.0 1.581 2.755 1148 869 A 19 PRO HD3 A 18 SER HB2 1.0 1.842 3.908 1149 870 A 9 CYS HB3 A 38 CYS HB2 1.0 1.996 5.642 1150 871 A 15 HIS HB3 A 15 HIS HB2 1.0 1.456 2.372 1151 872 A 19 PRO HD2 A 18 SER HB3 1.0 1.941 4.681 1152 873 A 6 PHE HB2 A 6 PHE HB3 1.0 1.434 2.310 1153 874 A 19 PRO HD3 A 19 PRO HD2 1.0 1.507 2.521 1154 875 A 39 CYS HB2 A 39 CYS HB3 1.0 1.521 2.565 1155 876 A 11 ASP HB3 A 11 ASP HB2 1.0 1.739 3.373 1156 877 A 6 PHE HB2 A 1 ASP HB3 1.0 1.215 1.773 1157 878 A 9 CYS HB3 A 9 CYS HB2 1.0 1.563 2.695 1158 879 A 9 CYS HB3 A 38 CYS HB3 1.0 1.990 5.446 1159 880 A 26 GLU HA A 26 GLU HG3 1.0 1.921 4.495 1160 881 A 26 GLU HA A 26 GLU HG2 1.0 1.920 4.474 1161 882 A 36 TRP HA A 18 SER HA 1.0 1.862 4.040 1162 883 A 27 GLN HA A 27 GLN HG3 1.0 1.925 4.533 1163 884 A 26 GLU HA A 26 GLU HB3 1.0 1.824 3.806 1164 885 A 17 VAL HB A 17 VAL HA 1.0 1.677 3.111 1165 886 A 11 ASP HA A 10 GLN HG3 1.0 1.995 6.431 1166 887 A 19 PRO HA A 18 SER HA 1.0 2.000 5.934 1167 888 A 40 LYS HA A 27 GLN HG3 1.0 1.997 5.709 1168 889 A 12 LYS HA A 12 LYS HB3 1.0 1.774 3.538 1169 890 A 10 GLN HA A 10 GLN HG3 1.0 1.897 4.291 1170 891 A 10 GLN HA A 10 GLN HG2 1.0 1.884 4.192 1171 892 A 32 PRO HA A 32 PRO HB3 1.0 1.731 3.335 1172 893 A 10 GLN HB3 A 10 GLN HA 1.0 1.794 3.638 1173 894 A 10 GLN HB2 A 10 GLN HA 1.0 1.787 3.605 1174 895 A 32 PRO HA A 32 PRO HG2 1.0 1.883 4.187 1175 896 A 27 GLN HG2 A 40 LYS HA 1.0 1.965 4.971 1176 897 A 41 GLU HB3 A 41 GLU HA 1.0 1.805 3.697 1177 898 A 41 GLU HA A 41 GLU HB2 1.0 1.783 3.583 1178 899 A 19 PRO HA A 20 LYS HB3 1.0 0.000 6.000 1179 900 A 40 LYS HA A 40 LYS HB3 1.0 1.827 3.823 1180 901 A 40 LYS HB2 A 40 LYS HA 1.0 1.812 3.736 1181 902 A 30 LEU HB3 A 8 THR HA 1.0 1.698 3.194 1182 903 A 12 LYS HA A 12 LYS HG2 1.0 1.897 4.285 1183 904 A 28 LEU HA A 28 LEU HB3 1.0 1.696 3.186 1184 905 A 30 LEU HA A 30 LEU HB2 1.0 1.753 3.437 1185 906 A 27 GLN HA A 28 LEU HB3 1.0 1.998 5.744 1186 907 A 24 LEU HB2 A 23 CYS HA 1.0 1.940 4.676 1187 908 A 24 LEU HB3 A 23 CYS HA 1.0 1.998 5.762 1188 909 A 8 THR HG2% A 8 THR HB 1.0 1.490 2.472 1189 910 A 37 THR HG2% A 38 CYS HA 1.0 1.946 4.740 1190 911 A 26 GLU HA A 37 THR HG2% 1.0 1.868 4.074 1191 912 A 37 THR HG2% A 37 THR HA 1.0 1.625 2.913 1192 913 A 2 THR HG2% A 2 THR HA 1.0 1.894 4.264 1193 914 A 8 THR HA A 8 THR HG2% 1.0 1.575 2.737 1194 915 A 12 LYS HA A 12 LYS HG3 1.0 1.854 3.984 1195 916 A 17 VAL HG2% A 17 VAL HA 1.0 1.567 2.711 1196 917 A 23 CYS HA A 42 ILE HG2% 1.0 1.915 4.435 1197 918 A 21 ILE HG2% A 23 CYS HA 1.0 1.935 4.629 1198 919 A 21 ILE HG2% A 17 VAL HA 1.0 1.976 5.146 1199 920 A 17 VAL HA A 21 ILE HD1% 1.0 1.982 5.270 1200 921 A 33 LEU HA A 33 LEU HG 1.0 1.844 3.920 1201 922 A 41 GLU HA A 42 ILE HD1% 1.0 1.983 6.753 1202 923 A 33 LEU HA A 33 LEU HB3 1.0 1.801 3.679 1203 924 A 33 LEU HA A 33 LEU HD1% 1.0 1.563 2.699 1204 925 A 33 LEU HA A 33 LEU HB2 1.0 1.912 4.410 1205 926 A 24 LEU HB2 A 24 LEU HA 1.0 1.697 3.189 1206 927 A 24 LEU HB3 A 24 LEU HA 1.0 1.744 3.396 1207 928 A 22 ARG HA A 22 ARG HG3 1.0 1.902 4.328 1208 929 A 21 ILE HB A 21 ILE HA 1.0 1.869 4.083 1209 930 A 35 ARG HA A 35 ARG HB3 1.0 1.752 3.430 1210 931 A 35 ARG HA A 35 ARG HB2 1.0 1.847 3.937 1211 932 A 32 PRO HD3 A 32 PRO HB3 1.0 1.959 4.895 1212 933 A 32 PRO HD2 A 32 PRO HB3 1.0 1.908 4.378 1213 934 A 17 VAL HB A 37 THR HB 1.0 1.999 5.831 1214 935 A 32 PRO HD3 A 32 PRO HG2 1.0 1.795 3.641 1215 936 A 32 PRO HD2 A 32 PRO HG2 1.0 1.766 3.496 1216 937 A 32 PRO HG3 A 32 PRO HD2 1.0 1.884 4.190 1217 938 A 32 PRO HG3 A 32 PRO HD3 1.0 1.813 3.739 1218 939 A 42 ILE HB A 42 ILE HA 1.0 1.775 3.539 1219 940 A 12 LYS HB2 A 9 CYS HA 1.0 1.978 5.188 1220 941 A 34 LYS HA A 34 LYS HG2 1.0 1.845 3.931 1221 942 A 34 LYS HA A 34 LYS HG3 1.0 1.812 3.736 1222 943 A 12 LYS HG3 A 9 CYS HA 1.0 2.000 5.986 1223 944 A 21 ILE HA A 21 ILE HG12 1.0 1.895 4.271 1224 945 A 21 ILE HA A 21 ILE HG13 1.0 1.888 4.214 1225 946 A 3 THR HB A 3 THR HG2% 1.0 1.551 2.657 1226 947 A 28 LEU HA A 28 LEU HD1% 1.0 1.849 3.949 1227 948 A 24 LEU HD1% A 24 LEU HA 1.0 1.815 3.749 1228 949 A 24 LEU HD2% A 24 LEU HA 1.0 1.600 2.822 1229 950 A 22 ARG HA A 21 ILE HG2% 1.0 1.962 4.934 1230 951 A 32 PRO HA A 33 LEU HD1% 1.0 2.000 6.126 1231 952 A 33 LEU HA A 33 LEU HD2% 1.0 1.921 4.487 1232 953 A 32 PRO HA A 33 LEU HD2% 1.0 1.955 7.255 1233 954 A 42 ILE HA A 42 ILE HG12 1.0 1.982 5.242 1234 955 A 24 LEU HD1% A 42 ILE HA 1.0 1.977 5.157 1235 956 A 34 LYS HA A 33 LEU HB3 1.0 1.954 4.826 1236 957 A 42 ILE HA A 42 ILE HG2% 1.0 1.744 3.396 1237 958 A 21 ILE HG2% A 21 ILE HA 1.0 1.630 2.930 1238 959 A 21 ILE HA A 21 ILE HD1% 1.0 1.672 3.088 1239 960 A 17 VAL HG1% A 37 THR HB 1.0 1.663 3.053 1240 961 A 37 THR HG2% A 37 THR HB 1.0 1.542 2.630 1241 962 A 8 THR HG2% A 32 PRO HD2 1.0 1.999 5.863 1242 963 A 18 SER HB2 A 18 SER HA 1.0 1.695 3.181 1243 964 A 23 CYS HB3 A 26 GLU HG3 1.0 2.000 6.070 1244 965 A 23 CYS HB3 A 26 GLU HG2 1.0 1.999 5.827 1245 966 A 19 PRO HD2 A 18 SER HA 1.0 1.714 3.260 1246 967 A 36 TRP HB2 A 18 SER HA 1.0 2.000 5.996 1247 968 A 27 GLN HG2 A 14 GLY HA2 1.0 2.000 6.174 1248 969 A 7 HIS HB3 A 12 LYS HG2 1.0 1.982 5.250 1249 970 A 7 HIS HB3 A 12 LYS HG3 1.0 1.981 5.255 1250 971 A 7 HIS HB3 A 8 THR HG2% 1.0 1.975 5.135 1251 972 A 7 HIS HB2 A 8 THR HG2% 1.0 1.987 5.357 1252 973 A 7 HIS HB2 A 12 LYS HG3 1.0 1.994 5.568 1253 974 A 37 THR HG2% A 23 CYS HB3 1.0 0.000 6.000 1254 975 A 5 ASP HB2 A 5 ASP HB3 1.0 1.341 2.069 1255 976 A 19 PRO HD3 A 18 SER HA 1.0 1.663 3.051 1256 977 A 18 SER HB3 A 18 SER HA 1.0 1.789 3.609 1257 978 A 12 LYS HE2 A 12 LYS HB3 1.0 1.994 5.552 1258 979 A 12 LYS HE3 A 12 LYS HB3 1.0 1.998 5.706 1259 980 A 19 PRO HD3 A 35 ARG HB3 1.0 1.972 6.980 1260 981 A 12 LYS HE3 A 12 LYS HB2 1.0 1.990 6.578 1261 982 A 12 LYS HE2 A 12 LYS HG2 1.0 1.941 4.677 1262 983 A 12 LYS HE3 A 12 LYS HG2 1.0 1.986 5.356 1263 984 A 12 LYS HE2 A 12 LYS HG3 1.0 2.000 5.960 1264 985 A 12 LYS HE3 A 12 LYS HG3 1.0 1.996 5.670 1265 986 A 11 ASP HB3 A 8 THR HG2% 1.0 1.990 5.462 1266 987 A 8 THR HG2% A 9 CYS HB2 1.0 1.997 5.669 1267 988 A 18 SER HB3 A 21 ILE HG12 1.0 1.985 5.317 1268 989 A 18 SER HB3 A 21 ILE HG13 1.0 1.984 5.300 1269 990 A 39 CYS HB2 A 37 THR HG2% 1.0 1.792 3.628 1270 991 A 38 CYS HB3 A 37 THR HG2% 1.0 1.995 5.623 1271 992 A 37 THR HG2% A 38 CYS HB2 1.0 1.981 5.231 1272 993 A 33 LEU HB3 A 31 CYS HB3 1.0 2.000 6.124 1273 994 A 18 SER HB2 A 21 ILE HD1% 1.0 1.999 5.819 1274 995 A 17 VAL HG2% A 39 CYS HB3 1.0 1.633 2.941 1275 996 A 36 TRP HB3 A 33 LEU HB2 1.0 1.999 5.935 1276 997 A 15 HIS HB3 A 42 ILE HG2% 1.0 0.000 6.000 1277 998 A 15 HIS HB3 A 42 ILE HD1% 1.0 1.952 4.800 1278 999 A 18 SER HB3 A 21 ILE HD1% 1.0 1.944 4.726 1279 1000 A 23 CYS HB2 A 42 ILE HG2% 1.0 1.969 5.035 1280 1001 A 37 THR HG2% A 26 GLU HG3 1.0 1.874 4.122 1281 1002 A 37 THR HG2% A 26 GLU HG2 1.0 1.773 3.529 1282 1003 A 8 THR HG2% A 10 GLN HG3 1.0 1.998 5.706 1283 1004 A 10 GLN HG2 A 10 GLN HG3 1.0 1.352 2.094 1284 1005 A 26 GLU HB3 A 26 GLU HG2 1.0 1.707 3.229 1285 1006 A 35 ARG HB2 A 35 ARG HB3 1.0 1.497 2.491 1286 1007 A 10 GLN HB3 A 10 GLN HG3 1.0 1.781 3.571 1287 1008 A 10 GLN HB2 A 10 GLN HG3 1.0 1.808 3.712 1288 1009 A 10 GLN HB2 A 10 GLN HG2 1.0 1.852 3.968 1289 1010 A 26 GLU HB2 A 26 GLU HB3 1.0 1.490 2.470 1290 1011 A 41 GLU HB3 A 41 GLU HB2 1.0 1.427 2.289 1291 1012 A 32 PRO HB2 A 32 PRO HB3 1.0 1.576 2.740 1292 1013 A 12 LYS HB3 A 12 LYS HB2 1.0 1.540 2.622 1293 1014 A 40 LYS HB2 A 25 GLU HB3 1.0 1.896 4.278 1294 1015 A 40 LYS HB2 A 40 LYS HB3 1.0 1.474 2.422 1295 1016 A 20 LYS HB3 A 20 LYS HB2 1.0 1.527 2.581 1296 1017 A 12 LYS HB3 A 12 LYS HG2 1.0 1.805 3.695 1297 1018 A 12 LYS HB3 A 12 LYS HG3 1.0 1.832 3.846 1298 1019 A 21 ILE HB A 21 ILE HG12 1.0 1.779 3.565 1299 1020 A 21 ILE HB A 21 ILE HG13 1.0 1.811 3.731 1300 1021 A 17 VAL HB A 21 ILE HG12 1.0 1.889 4.225 1301 1022 A 17 VAL HB A 21 ILE HG13 1.0 1.917 4.455 1302 1023 A 37 THR HG2% A 26 GLU HB3 1.0 1.917 4.459 1303 1024 A 17 VAL HG1% A 18 SER HA 1.0 2.000 5.942 1304 1025 A 33 LEU HG A 32 PRO HB3 1.0 1.997 6.293 1305 1026 A 33 LEU HG A 32 PRO HG2 1.0 1.998 6.240 1306 1027 A 41 GLU HB3 A 24 LEU HD2% 1.0 1.978 5.184 1307 1028 A 17 VAL HB A 21 ILE HG2% 1.0 1.726 3.310 1308 1029 A 17 VAL HB A 21 ILE HD1% 1.0 1.841 3.903 1309 1030 A 33 LEU HD1% A 32 PRO HB3 1.0 1.985 5.325 1310 1031 A 33 LEU HD1% A 32 PRO HG2 1.0 1.998 5.786 1311 1032 A 21 ILE HG2% A 21 ILE HB 1.0 1.521 2.565 1312 1033 A 32 PRO HG3 A 33 LEU HG 1.0 1.884 4.190 1313 1034 A 42 ILE HB A 42 ILE HG2% 1.0 1.697 3.187 1314 1035 A 21 ILE HB A 21 ILE HD1% 1.0 1.786 3.596 1315 1036 A 20 LYS HB3 A 21 ILE HD1% 1.0 1.986 5.354 1316 1037 A 22 ARG HG2 A 22 ARG HG3 1.0 1.465 2.399 1317 1038 A 30 LEU HB3 A 8 THR HG2% 1.0 1.670 3.078 1318 1039 A 28 LEU HB3 A 28 LEU HD1% 1.0 1.796 3.648 1319 1040 A 24 LEU HD2% A 24 LEU HB3 1.0 1.722 3.296 1320 1041 A 20 LYS HB2 A 21 ILE HD1% 1.0 1.969 5.041 1321 1042 A 42 ILE HD1% A 42 ILE HG13 1.0 1.521 2.565 1322 1043 A 21 ILE HG2% A 21 ILE HG12 1.0 1.727 3.317 1323 1044 A 21 ILE HG2% A 21 ILE HG13 1.0 1.793 3.635 1324 1045 A 21 ILE HG12 A 21 ILE HD1% 1.0 1.585 2.771 1325 1046 A 21 ILE HG13 A 21 ILE HD1% 1.0 1.552 2.660 1326 1047 A 42 ILE HG12 A 42 ILE HD1% 1.0 1.369 2.137 1327 1048 A 33 LEU HD1% A 33 LEU HG 1.0 1.569 2.717 1328 1049 A 33 LEU HB3 A 33 LEU HD1% 1.0 1.738 3.366 1329 1050 A 33 LEU HB2 A 33 LEU HG 1.0 1.862 4.040 1330 1051 A 33 LEU HB3 A 33 LEU HB2 1.0 1.615 2.877 1331 1052 A 33 LEU HD2% A 33 LEU HG 1.0 1.628 2.924 1332 1053 A 33 LEU HB3 A 33 LEU HD2% 1.0 1.726 3.310 1333 1054 A 33 LEU HD1% A 33 LEU HB2 1.0 1.958 4.874 1334 1055 A 33 LEU HD1% A 33 LEU HD2% 1.0 1.554 2.666 1335 1056 A 33 LEU HB2 A 33 LEU HD2% 1.0 1.757 3.451 1336 1057 A 33 LEU HD2% A 32 PRO HG2 1.0 1.986 6.686 1337 1058 A 36 TRP HB3 A 33 LEU HD2% 1.0 1.985 6.699 1338 1059 A 36 TRP HB2 A 33 LEU HD2% 1.0 1.959 7.195 1339 1060 A 18 SER HB2 A 33 LEU HD2% 1.0 1.962 7.146 1340 1061 A 33 LEU HD2% A 32 PRO HD3 1.0 1.963 7.123 1341 1062 A 36 TRP HB2 A 33 LEU HB2 1.0 1.972 6.964 1342 1063 A 10 GLN HG3 A 15 HIS HA 1.0 1.992 6.502 1343 1064 A 10 GLN HG2 A 15 HIS HA 1.0 1.996 6.362 1344 1065 A 39 CYS HA A 26 GLU HG2 1.0 1.986 6.672 1345 1066 A 31 CYS HA A 32 PRO HB3 1.0 1.979 6.837 1346 1067 A 39 CYS HA A 26 GLU HB3 1.0 2.000 6.122 1347 1068 A 31 CYS HA A 32 PRO HG2 1.0 1.956 4.850 1348 1069 A 40 LYS HB3 A 39 CYS HA 1.0 1.998 6.242 1349 1070 A 40 LYS HB2 A 39 CYS HA 1.0 2.000 6.014 1350 1071 A 7 HIS HA A 8 THR HG2% 1.0 1.902 4.328 1351 1072 A 37 THR HG2% A 39 CYS HA 1.0 1.912 4.412 1352 1073 A 17 VAL H A 31 CYS HB3 1.0 1.973 6.957 1353 1074 A 39 CYS H A 37 THR HB 1.0 1.981 6.781 1354 1075 A 28 LEU H A 27 GLN HE22 1.0 1.997 6.355 1355 1076 A 10 GLN HE21 A 16 CYS H 1.0 1.985 6.705 1356 1077 A 10 GLN HE21 A 10 GLN H 1.0 1.971 6.993 1357 1078 A 15 HIS HE1 A 21 ILE HB 1.0 2.000 6.130 1358 1079 A 36 TRP HE1 A 37 THR H 1.0 1.944 7.390 1359 1080 A 36 TRP HE1 A 35 ARG H 1.0 1.941 7.429 1360 1081 A 16 CYS HB2 A 10 GLN HE22 1.0 1.960 7.166 1361 1082 A 31 CYS HA A 10 GLN H 1.0 2.000 5.948 1362 1083 A 31 CYS HA A 9 CYS H 1.0 1.976 5.146 1363 1084 A 10 GLN H A 32 PRO HD2 1.0 1.976 6.904 1364 1085 A 7 HIS HB3 A 9 CYS H 1.0 1.966 7.074 1365 1086 A 12 LYS HB2 A 9 CYS H 1.0 1.967 7.053 1366 1087 A 35 ARG H A 33 LEU HB3 1.0 1.999 5.845 1367 1088 A 39 CYS H A 37 THR HA 1.0 1.958 7.200 1368 1089 A 38 CYS H A 29 GLY H 1.0 1.978 6.862 1369 1090 A 36 TRP HE1 A 36 TRP HZ3 1.0 1.917 7.713 1370 1091 A 36 TRP HE1 A 17 VAL H 1.0 1.907 7.819 1371 1092 A 37 THR H A 31 CYS HB3 1.0 1.958 7.188 1372 1093 A 25 GLU H A 42 ILE HA 1.0 1.965 7.091 1373 1094 A 36 TRP HE3 A 32 PRO HD2 1.0 1.963 7.129 1374 1095 A 27 GLN HE22 A 13 GLY HA3 1.0 1.944 7.394 1375 1096 A 10 GLN HA A 10 GLN HE22 1.0 1.956 7.236 1376 1097 A 33 LEU H A 34 LYS HA 1.0 1.982 6.764 1377 1098 A 22 ARG HE A 22 ARG HA 1.0 2.000 5.912 1378 1099 A 10 GLN HE21 A 10 GLN HA 1.0 1.970 7.010 1379 1100 A 21 ILE H A 22 ARG HA 1.0 1.993 6.463 1380 1101 A 25 GLU H A 23 CYS HA 1.0 1.979 5.215 1381 1102 A 25 GLU H A 39 CYS HA 1.0 1.958 7.204 1382 1103 A 2 THR H A 2 THR HB 1.0 1.999 6.203 1383 1104 A 29 GLY HA2 A 7 HIS H 1.0 1.957 7.215 1384 1105 A 10 GLN HA A 16 CYS H 1.0 1.961 7.153 1385 1106 A 31 CYS H A 32 PRO HA 1.0 1.964 7.106 1386 1107 A 16 CYS H A 10 GLN HE22 1.0 1.946 7.364 1387 1108 A 10 GLN H A 10 GLN HE22 1.0 1.938 7.472 1388 1109 A 23 CYS H A 22 ARG HE 1.0 1.929 7.587 1389 1110 A 19 PRO HA A 37 THR H 1.0 1.973 6.967 1390 1111 A 40 LYS H A 27 GLN HE22 1.0 1.917 7.707 1391 1112 A 17 VAL H A 36 TRP H 1.0 1.950 7.316 1392 1113 A 15 HIS H A 17 VAL H 1.0 1.915 7.737 1393 1114 A 39 CYS H A 37 THR H 1.0 1.915 7.737 1394 1115 A 36 TRP HE1 A 34 LYS HA 1.0 1.926 7.612 1395 1116 A 36 TRP HE1 A 35 ARG HA 1.0 1.909 7.805 1396 1117 A 36 TRP HE1 A 19 PRO HA 1.0 1.931 7.549 1397 1118 A 36 TRP HE1 A 35 ARG HB3 1.0 1.958 7.208 1398 1119 A 15 HIS HB3 A 10 GLN HE22 1.0 1.908 7.810 1399 1120 A 10 GLN HE22 A 9 CYS HB2 1.0 1.893 7.955 1400 1121 A 27 GLN HE22 A 12 LYS HE3 1.0 1.932 7.546 1401 1122 A 13 GLY H A 10 GLN HG3 1.0 1.963 7.131 1402 1123 A 13 GLY H A 10 GLN HG2 1.0 1.952 7.284 1403 1124 A 36 TRP H A 18 SER HA 1.0 1.972 6.972 1404 1125 A 14 GLY H A 27 GLN HG3 1.0 1.943 7.411 1405 1126 A 30 LEU HB2 A 6 PHE H 1.0 1.983 6.763 1406 1127 A 36 TRP H A 34 LYS HG3 1.0 1.995 6.387 1407 1128 A 25 GLU H A 40 LYS HB3 1.0 1.984 6.728 1408 1129 A 36 TRP HZ2 A 33 LEU HG 1.0 1.962 7.138 1409 1130 A 36 TRP HE3 A 33 LEU HG 1.0 1.963 7.123 1410 1131 A 36 TRP HZ3 A 21 ILE HD1% 1.0 1.954 7.258 1411 1132 A 36 TRP HE3 A 21 ILE HD1% 1.0 1.952 7.288 1412 1133 A 7 HIS HB3 A 30 LEU H 1.0 1.978 6.878 1413 1134 A 5 ASP H A 6 PHE HB3 1.0 1.944 7.392 1414 1135 A 28 LEU H A 7 HIS HB3 1.0 1.892 7.960 1415 1136 A 34 LYS H A 19 PRO HD2 1.0 1.974 6.928 1416 1137 A 38 CYS HB3 A 28 LEU H 1.0 1.974 6.930 1417 1138 A 23 CYS H A 26 GLU HG2 1.0 1.976 6.892 1418 1139 A 23 CYS H A 26 GLU HG3 1.0 1.972 6.968 1419 1140 A 10 GLN HB2 A 16 CYS H 1.0 1.960 7.168 1420 1141 A 38 CYS H A 26 GLU HB3 1.0 1.966 7.086 1421 1142 A 10 GLN HB3 A 16 CYS H 1.0 1.891 7.971 1422 1143 A 36 TRP HE1 A 34 LYS HG2 1.0 1.938 7.460 1423 1144 A 6 PHE HD2 A 5 ASP HB3 1.0 1.987 6.669 1424 1144 A 6 PHE HD1 A 5 ASP HB3 1.0 1.987 6.669 1425 1145 A 17 VAL H A 18 SER HA 1.0 1.944 7.390 1426 1146 A 39 CYS H A 17 VAL HB 1.0 1.951 7.301 1427 1147 A 39 CYS H A 27 GLN HG2 1.0 1.946 7.372 1428 1148 A 39 CYS H A 21 ILE HG2% 1.0 1.965 7.097 1429 1149 A 39 CYS H A 14 GLY H 1.0 1.949 7.319 1430 1150 A 42 ILE HD1% A 16 CYS H 1.0 1.954 7.264 1431 1151 A 16 CYS H A 32 PRO HD3 1.0 1.977 6.881 1432 1152 A 14 GLY HA3 A 16 CYS H 1.0 1.941 7.435 1433 1153 A 38 CYS H A 26 GLU HG2 1.0 1.983 6.749 1434 1154 A 38 CYS H A 9 CYS HB2 1.0 1.925 7.615 1435 1155 A 31 CYS H A 36 TRP HB3 1.0 1.990 6.560 1436 1156 A 31 CYS H A 36 TRP HB2 1.0 1.949 7.337 1437 1157 A 31 CYS H A 9 CYS HB3 1.0 1.946 7.368 1438 1158 A 31 CYS H A 8 THR HA 1.0 1.948 7.350 1439 1159 A 31 CYS H A 33 LEU H 1.0 1.935 7.509 1440 1160 A 16 CYS HB2 A 31 CYS HA 1.0 1.985 6.693 1441 1161 A 40 LYS H A 25 GLU HG3 1.0 1.999 6.161 1442 1162 A 40 LYS H A 42 ILE HG2% 1.0 1.977 6.869 1443 1163 A 16 CYS HB2 A 37 THR H 1.0 1.939 7.459 1444 1164 A 19 PRO HD2 A 37 THR H 1.0 1.977 6.889 1445 1165 A 24 LEU H A 26 GLU HG2 1.0 1.966 7.082 1446 1166 A 17 VAL HB A 37 THR H 1.0 1.998 6.282 1447 1167 A 41 GLU HB3 A 24 LEU H 1.0 2.000 5.980 1448 1168 A 24 LEU H A 42 ILE HG2% 1.0 1.998 5.784 1449 1169 A 35 ARG H A 33 LEU HB2 1.0 1.948 7.352 1450 1170 A 24 LEU HD1% A 24 LEU H 1.0 1.958 4.874 1451 1171 A 25 GLU HA A 24 LEU H 1.0 1.970 5.062 1452 1172 A 23 CYS H A 39 CYS HA 1.0 1.947 7.351 1453 1173 A 37 THR HG2% A 26 GLU H 1.0 1.977 5.159 1454 1174 A 26 GLU H A 24 LEU HA 1.0 1.986 5.356 1455 1175 A 26 GLU HA A 26 GLU H 1.0 1.807 3.707 1456 1176 A 35 ARG H A 33 LEU HA 1.0 1.972 6.970 1457 1177 A 35 ARG H A 36 TRP HA 1.0 1.998 6.300 1458 1178 A 35 ARG H A 35 ARG HE 1.0 1.920 7.678 1459 1179 A 12 LYS HB2 A 10 GLN H 1.0 1.959 7.197 1460 1180 A 9 CYS H A 32 PRO HG2 1.0 1.900 7.888 1461 1181 A 9 CYS H A 10 GLN HG2 1.0 1.959 7.189 1462 1182 A 9 CYS H A 38 CYS HB2 1.0 1.960 7.172 1463 1183 A 9 CYS H A 32 PRO HD2 1.0 1.974 6.928 1464 1184 A 9 CYS H A 32 PRO HD3 1.0 1.923 7.641 1465 1185 A 15 HIS HE1 A 21 ILE HG13 1.0 1.983 6.753 1466 1186 A 15 HIS HE1 A 17 VAL HA 1.0 1.976 6.888 1467 1187 A 15 HIS H A 13 GLY HA3 1.0 1.975 6.919 1468 1188 A 28 LEU H A 38 CYS HB2 1.0 1.965 7.099 1469 1189 A 28 LEU H A 29 GLY HA2 1.0 1.939 7.461 1470 1190 A 34 LYS H A 35 ARG HA 1.0 1.949 7.335 1471 1191 A 27 GLN H A 27 GLN HG3 1.0 1.940 4.672 1472 1192 A 30 LEU HD2% A 7 HIS H 1.0 1.980 5.218 1473 1193 A 30 LEU HB2 A 7 HIS H 1.0 1.997 6.287 1474 1194 A 22 ARG H A 17 VAL HB 1.0 1.968 7.044 1475 1195 A 4 SER H A 5 ASP HB3 1.0 1.930 7.576 1476 1196 A 4 SER H A 5 ASP HA 1.0 1.978 6.856 1477 1197 A 30 LEU H A 6 PHE HB3 1.0 1.953 7.271 1478 1198 A 6 PHE HD2 A 5 ASP H 1.0 1.973 6.949 1479 1198 A 6 PHE HD1 A 5 ASP H 1.0 1.973 6.949 1480 1199 A 11 ASP H A 13 GLY HA3 1.0 1.947 7.357 1481 1200 A 13 GLY H A 11 ASP H 1.0 1.998 6.234 1482 1201 A 6 PHE H A 3 THR HG2% 1.0 1.972 6.968 1483 1202 A 6 PHE H A 8 THR HG2% 1.0 1.998 6.238 1484 1203 A 7 HIS HB3 A 6 PHE H 1.0 1.972 6.970 1485 1204 A 29 GLY H A 9 CYS HB2 1.0 1.938 7.466 1486 1205 A 15 HIS HD2 A 42 ILE H 1.0 1.973 6.967 1487 1206 A 28 LEU HD2% A 29 GLY H 1.0 1.926 4.534 1488 1207 A 41 GLU H A 42 ILE HG2% 1.0 1.974 6.924 1489 1208 A 39 CYS HB3 A 41 GLU H 1.0 1.873 4.109 1490 1209 A 41 GLU H A 14 GLY HA2 1.0 2.000 6.124 1491 1210 A 41 GLU H A 15 HIS HD2 1.0 1.943 7.397 1492 1211 A 36 TRP H A 33 LEU HD1% 1.0 1.964 7.114 1493 1212 A 36 TRP H A 34 LYS HG2 1.0 1.989 6.617 1494 1213 A 36 TRP H A 33 LEU HA 1.0 1.987 6.647 1495 1214 A 36 TRP H A 33 LEU H 1.0 1.996 6.376 1496 1215 A 27 GLN HG2 A 14 GLY H 1.0 1.993 5.553 1497 1216 A 13 GLY H A 12 LYS HG2 1.0 1.995 6.393 1498 1217 A 13 GLY H A 11 ASP HB2 1.0 2.000 6.034 1499 1218 A 27 GLN HE22 A 13 GLY H 1.0 1.986 6.694 1500 1219 A 25 GLU H A 24 LEU HD2% 1.0 2.000 6.122 1501 1220 A 25 GLU H A 24 LEU HD1% 1.0 1.998 6.270 1502 1221 A 21 ILE H A 19 PRO HD3 1.0 1.951 7.303 1503 1222 A 15 HIS HB3 A 10 GLN HE21 1.0 1.951 7.293 1504 1223 A 10 GLN HE21 A 15 HIS HB2 1.0 1.976 6.898 1505 1224 A 10 GLN HE21 A 10 GLN HB3 1.0 2.000 5.938 1506 1225 A 17 VAL HG1% A 20 LYS H 1.0 1.999 5.805 1507 1226 A 36 TRP HA A 20 LYS H 1.0 1.934 7.514 1508 1227 A 36 TRP HB3 A 36 TRP HZ2 1.0 1.920 7.678 1509 1228 A 36 TRP HD1 A 16 CYS HB2 1.0 1.995 6.427 1510 1229 A 36 TRP HD1 A 33 LEU HA 1.0 1.978 5.176 1511 1230 A 12 LYS H A 12 LYS HB3 1.0 1.775 3.541 1512 1231 A 12 LYS H A 10 GLN HG2 1.0 1.978 6.874 1513 1232 A 12 LYS H A 29 GLY HA3 1.0 1.924 7.634 1514 1233 A 12 LYS H A 29 GLY HA2 1.0 1.964 7.118 1515 1234 A 12 LYS H A 27 GLN HE22 1.0 1.984 6.718 1516 1235 A 30 LEU HB3 A 6 PHE HE1 1.0 1.998 6.248 1517 1235 A 30 LEU HB3 A 6 PHE HE2 1.0 1.998 6.248 1518 1236 A 6 PHE HE1 A 5 ASP HB2 1.0 1.989 6.607 1519 1236 A 6 PHE HE2 A 5 ASP HB2 1.0 1.989 6.607 1520 1237 A 30 LEU HD1% A 6 PHE HZ 1.0 1.928 4.548 1521 1238 A 6 PHE HZ A 3 THR HG2% 1.0 1.978 6.854 1522 1239 A 7 HIS HD2 A 12 LYS HG3 1.0 2.000 6.000 1523 1240 A 7 HIS HD2 A 12 LYS HG2 1.0 1.989 5.431 1524 1241 A 35 ARG HE A 35 ARG HA 1.0 1.979 6.833 1525 1242 A 6 PHE HZ A 32 PRO HG2 1.0 1.999 6.197 1526 1243 A 6 PHE HZ A 32 PRO HB3 1.0 1.980 6.822 1527 1244 A 7 HIS HD2 A 12 LYS HE3 1.0 1.981 6.787 1528 1245 A 35 ARG HE A 19 PRO HG2 1.0 1.987 5.365 1529 1246 A 35 ARG HE A 37 THR HA 1.0 1.984 6.740 1530 1247 A 33 LEU H A 34 LYS HG2 1.0 1.974 6.946 1531 1248 A 36 TRP HH2 A 16 CYS HB3 1.0 1.996 5.662 1532 1249 A 33 LEU H A 31 CYS HB2 1.0 1.946 4.732 1533 1250 A 38 CYS HB3 A 27 GLN HE21 1.0 1.958 7.194 1534 1251 A 27 GLN HE21 A 29 GLY HA2 1.0 1.919 7.689 1535 1252 A 27 GLN HE21 A 9 CYS HA 1.0 1.973 6.955 1536 1253 A 27 GLN HE21 A 12 LYS HA 1.0 1.997 6.269 1537 1254 A 27 GLN HE21 A 27 GLN HA 1.0 1.985 6.719 1538 1255 A 6 PHE HD2 A 11 ASP HB3 1.0 1.952 7.284 1539 1255 A 6 PHE HD1 A 11 ASP HB3 1.0 1.952 7.284 1540 1256 A 15 HIS HD2 A 42 ILE HG13 1.0 2.000 5.968 1541 1257 A 15 HIS HD2 A 14 GLY HA2 1.0 1.981 5.231 1542 1258 A 15 HIS HD2 A 10 GLN HA 1.0 1.990 6.578 1543 1259 A 15 HIS HD2 A 15 HIS HA 1.0 0.000 6.000 1544 1260 A 15 HIS HD2 A 16 CYS HA 1.0 1.985 6.719 1545 1261 A 36 TRP HZ3 A 33 LEU HB2 1.0 1.952 7.280 1546 1262 A 36 TRP HZ3 A 19 PRO HD3 1.0 1.962 7.138 1547 1263 A 36 TRP HZ3 A 32 PRO HD3 1.0 1.968 7.038 1548 1264 A 36 TRP HE3 A 31 CYS HA 1.0 1.958 7.208 1549 1265 A 10 GLN HB3 A 10 GLN HE22 1.0 1.991 6.555 1550 1266 A 31 CYS HA A 10 GLN HE22 1.0 1.926 7.612 1551 1267 A 27 GLN HE22 A 28 LEU HD2% 1.0 1.992 6.512 1552 1268 A 12 LYS HA A 27 GLN HE22 1.0 1.990 5.448 1553 1269 A 31 CYS HB3 A 32 PRO HG2 1.0 1.986 6.688 1554 1270 A 27 GLN HG2 A 38 CYS HB2 1.0 1.974 6.940 1555 1271 A 27 GLN HG3 A 38 CYS HB2 1.0 1.998 6.244 1556 1272 A 17 VAL HB A 18 SER HB2 1.0 1.951 7.291 1557 1273 A 20 LYS HB3 A 18 SER HB2 1.0 1.994 5.588 1558 1274 A 12 LYS HB3 A 28 LEU HD1% 1.0 1.982 5.276 1559 1275 A 26 GLU HB2 A 37 THR HG2% 1.0 1.940 4.674 1560 1276 A 41 GLU HB2 A 42 ILE HG2% 1.0 1.989 5.415 1561 1277 A 3 THR HG2% A 2 THR HB 1.0 1.645 2.985 1562 1278 A 2 THR HG2% A 2 THR HB 1.0 1.720 3.284 1563 1279 A 32 PRO HB2 A 32 PRO HA 1.0 1.799 3.665 1564 1280 A 39 CYS HB3 A 39 CYS HA 1.0 1.801 3.673 1565 1281 A 31 CYS HA A 9 CYS HB2 1.0 1.892 4.248 1566 1282 A 7 HIS HB3 A 7 HIS HA 1.0 1.694 3.178 1567 1283 A 15 HIS HB2 A 15 HIS HA 1.0 1.686 3.142 1568 1284 A 38 CYS HA A 9 CYS HB2 1.0 1.986 5.328 1569 1285 A 25 GLU HA A 26 GLU HG3 1.0 1.906 4.358 1570 1286 A 38 CYS HB3 A 37 THR HA 1.0 1.984 5.288 1571 1287 A 19 PRO HD3 A 19 PRO HA 1.0 1.706 3.226 1572 1288 A 38 CYS HB3 A 28 LEU HA 1.0 1.914 4.434 1573 1289 A 8 THR HA A 9 CYS HB2 1.0 0.000 6.000 1574 1290 A 8 THR HA A 12 LYS HE3 1.0 0.000 6.000 1575 1291 A 22 ARG HA A 23 CYS HB3 1.0 1.918 4.456 1576 1292 A 38 CYS HB3 A 9 CYS HA 1.0 1.988 5.384 1577 1293 A 9 CYS HB3 A 9 CYS HA 1.0 1.777 3.551 1578 1294 A 9 CYS HB3 A 29 GLY HA2 1.0 1.975 5.129 1579 1295 A 12 LYS HE2 A 12 LYS HB2 1.0 1.998 6.232 1580 1296 A 11 ASP HB3 A 12 LYS HG2 1.0 1.992 6.530 1581 1297 A 11 ASP HB3 A 12 LYS HG3 1.0 1.992 6.518 1582 1298 A 10 GLN HB3 A 15 HIS HB2 1.0 1.991 6.537 1583 1299 A 10 GLN HB2 A 15 HIS HB2 1.0 1.996 6.332 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 40 LYS H A 25 GLU O 1.0 1.730 2.700 2 2 A 27 GLN H A 38 CYS O 1.0 1.730 2.700 3 3 A 38 CYS H A 27 GLN O 1.0 1.730 2.700 4 4 A 15 HIS H A 39 CYS O 1.0 1.730 2.700 5 5 A 39 CYS H A 15 HIS O 1.0 1.730 2.700 6 6 A 39 CYS O A 15 HIS N 1.0 2.516 3.927 7 7 A 15 HIS O A 39 CYS N 1.0 2.516 3.927 8 8 A 27 GLN O A 38 CYS N 1.0 2.516 3.927 9 9 A 25 GLU O A 40 LYS N 1.0 2.516 3.927 10 10 A 38 CYS O A 27 GLN N 1.0 2.516 3.927 11 11 A 25 GLU H A 40 LYS O 1.0 1.730 2.700 12 12 A 40 LYS O A 25 GLU N 1.0 2.516 3.927 13 13 A 17 VAL H A 37 THR O 1.0 1.730 2.700 14 14 A 37 THR H A 17 VAL O 1.0 1.730 2.700 15 15 A 37 THR O A 17 VAL N 1.0 2.516 3.927 16 16 A 17 VAL O A 37 THR N 1.0 2.516 3.927 stop_ save_