data_nef_c18195_2lo4 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2JVX 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 45 HIS NE2 2 1 ZN ZN 1 49 CYS SG 2 1 ZN ZN 1 29 CYS SG 2 1 ZN ZN 1 32 CYS SG 2 1 ZN ZN 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 MET start . . 2 A 2 GLY middle . false 3 A 3 SER middle . . 4 A 4 SER middle . . 5 A 5 HIS middle . . 6 A 6 HIS middle . . 7 A 7 HIS middle . . 8 A 8 HIS middle . . 9 A 9 HIS middle . . 10 A 10 HIS middle . . 11 A 11 SER middle . . 12 A 12 SER middle . . 13 A 13 GLY middle . false 14 A 14 LEU middle . . 15 A 15 VAL middle . . 16 A 16 PRO middle . false 17 A 17 ARG middle . . 18 A 18 GLY middle . false 19 A 19 SER middle . . 20 A 20 HIS middle . . 21 A 21 MET middle . . 22 A 22 ALA middle . . 23 A 23 SER middle . . 24 A 24 ILE middle . . 25 A 25 PRO middle . false 26 A 26 ILE middle . . 27 A 27 HIS middle . . 28 A 28 SER middle . . 29 A 29 CYS middle -HG . 30 A 30 PRO middle . false 31 A 31 LYS middle . . 32 A 32 CYS middle -HG . 33 A 33 GLY middle . false 34 A 34 GLU middle . . 35 A 35 VAL middle . . 36 A 36 LEU middle . . 37 A 37 PRO middle . false 38 A 38 ASP middle . . 39 A 39 ILE middle . . 40 A 40 ASP middle . . 41 A 41 THR middle . . 42 A 42 LEU middle . . 43 A 43 GLN middle . . 44 A 44 ILE middle . . 45 A 45 HIS middle -HE2 . 46 A 46 VAL middle . . 47 A 47 MET middle . . 48 A 48 ASP middle . . 49 A 49 CYS middle -HG . 50 A 50 ILE middle . . 51 A 51 ILE end . . 52 B 1 ZN . . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 MET CA C 13 56.493 0.25 A 1 MET CB C 13 31.055 0.25 A 2 GLY CA C 13 45.342 0.25 A 2 GLY N N 15 110.135 0.06 A 12 SER C C 13 174.989 0.06 A 12 SER CA C 13 58.855 0.25 A 12 SER CB C 13 63.636 0.25 A 13 GLY H H 1 8.361 0.01 A 13 GLY C C 13 173.825 0.06 A 13 GLY CA C 13 45.339 0.25 A 13 GLY N N 15 110.510 0.06 A 14 LEU H H 1 8.014 0.01 A 14 LEU HA H 1 3.902 0.01 A 14 LEU HB2 H 1 1.549 0.01 A 14 LEU HB3 H 1 1.549 0.01 A 14 LEU HD1% H 1 0.857 0.01 A 14 LEU HD2% H 1 0.857 0.01 A 14 LEU C C 13 177.078 0.06 A 14 LEU CA C 13 55.148 0.25 A 14 LEU CB C 13 42.474 0.25 A 14 LEU N N 15 121.435 0.06 A 15 VAL H H 1 8.056 0.01 A 15 VAL CA C 13 59.793 0.25 A 15 VAL CB C 13 32.703 0.25 A 15 VAL N N 15 122.429 0.06 A 16 PRO HA H 1 4.380 0.01 A 16 PRO HBy H 1 2.271 0.01 A 16 PRO HBx H 1 1.888 0.01 A 16 PRO HG2 H 1 2.014 0.01 A 16 PRO HG3 H 1 2.014 0.01 A 16 PRO C C 13 176.829 0.06 A 17 ARG H H 1 8.467 0.01 A 17 ARG N N 15 121.904 0.06 A 19 SER H H 1 8.011 0.01 A 19 SER N N 15 116.011 0.06 A 21 MET C C 13 175.713 0.06 A 21 MET CA C 13 55.402 0.25 A 21 MET CB C 13 32.885 0.25 A 22 ALA H H 1 8.274 0.01 A 22 ALA C C 13 177.551 0.06 A 22 ALA CA C 13 52.652 0.25 A 22 ALA CB C 13 19.357 0.25 A 22 ALA N N 15 125.101 0.06 A 23 SER H H 1 8.215 0.01 A 23 SER CA C 13 58.311 0.25 A 23 SER CB C 13 63.873 0.25 A 23 SER N N 15 114.445 0.06 A 25 PRO HA H 1 4.291 0.01 A 25 PRO HBy H 1 2.132 0.01 A 25 PRO HBx H 1 1.401 0.01 A 25 PRO HDy H 1 3.849 0.01 A 25 PRO HDx H 1 3.645 0.01 A 25 PRO HGy H 1 1.975 0.01 A 25 PRO HGx H 1 1.600 0.01 A 25 PRO C C 13 175.811 0.06 A 25 PRO CA C 13 63.078 0.25 A 25 PRO CB C 13 32.104 0.25 A 26 ILE H H 1 7.899 0.01 A 26 ILE HA H 1 3.964 0.01 A 26 ILE HB H 1 1.652 0.01 A 26 ILE HD1% H 1 0.724 0.01 A 26 ILE HG1y H 1 1.317 0.01 A 26 ILE HG1x H 1 1.025 0.01 A 26 ILE HG2% H 1 0.860 0.01 A 26 ILE C C 13 175.801 0.06 A 26 ILE CA C 13 60.521 0.25 A 26 ILE CB C 13 39.333 0.25 A 26 ILE N N 15 120.375 0.06 A 27 HIS H H 1 8.457 0.01 A 27 HIS HBy H 1 3.208 0.01 A 27 HIS HBx H 1 2.686 0.01 A 27 HIS C C 13 173.582 0.06 A 27 HIS CA C 13 55.003 0.25 A 27 HIS CB C 13 29.507 0.25 A 27 HIS N N 15 125.882 0.06 A 28 SER H H 1 8.027 0.01 A 28 SER HB2 H 1 3.441 0.01 A 28 SER HB3 H 1 3.441 0.01 A 28 SER C C 13 173.532 0.06 A 28 SER CA C 13 55.642 0.25 A 28 SER CB C 13 65.533 0.25 A 28 SER N N 15 116.161 0.06 A 29 CYS H H 1 8.947 0.01 A 29 CYS CA C 13 56.687 0.25 A 29 CYS CB C 13 31.385 0.25 A 29 CYS N N 15 127.479 0.06 A 30 PRO HA H 1 4.449 0.01 A 30 PRO HBy H 1 2.385 0.01 A 30 PRO HBx H 1 2.045 0.01 A 30 PRO HG2 H 1 2.165 0.01 A 30 PRO HG3 H 1 2.165 0.01 A 30 PRO C C 13 176.651 0.06 A 30 PRO CA C 13 64.335 0.25 A 30 PRO CB C 13 32.424 0.25 A 31 LYS H H 1 9.303 0.01 A 31 LYS HA H 1 4.352 0.01 A 31 LYS HBy H 1 2.124 0.01 A 31 LYS HBx H 1 1.913 0.01 A 31 LYS HD2 H 1 1.698 0.01 A 31 LYS HD3 H 1 1.698 0.01 A 31 LYS HG2 H 1 1.383 0.01 A 31 LYS HG3 H 1 1.383 0.01 A 31 LYS C C 13 177.321 0.06 A 31 LYS CA C 13 58.621 0.25 A 31 LYS CB C 13 33.662 0.25 A 31 LYS N N 15 121.996 0.06 A 32 CYS H H 1 8.556 0.01 A 32 CYS HBy H 1 3.315 0.01 A 32 CYS HBx H 1 2.493 0.01 A 32 CYS C C 13 177.051 0.06 A 32 CYS CA C 13 58.642 0.25 A 32 CYS CB C 13 32.802 0.25 A 32 CYS N N 15 117.337 0.06 A 33 GLY H H 1 7.967 0.01 A 33 GLY HAy H 1 4.165 0.01 A 33 GLY HAx H 1 3.749 0.01 A 33 GLY C C 13 173.711 0.06 A 33 GLY CA C 13 46.179 0.25 A 33 GLY N N 15 113.158 0.06 A 34 GLU H H 1 8.654 0.01 A 34 GLU HA H 1 3.943 0.01 A 34 GLU HB2 H 1 2.026 0.01 A 34 GLU HB3 H 1 2.026 0.01 A 34 GLU HG2 H 1 2.165 0.01 A 34 GLU HG3 H 1 2.165 0.01 A 34 GLU C C 13 175.334 0.06 A 34 GLU CA C 13 58.048 0.25 A 34 GLU CB C 13 30.292 0.25 A 34 GLU N N 15 125.156 0.06 A 35 VAL H H 1 8.332 0.01 A 35 VAL HA H 1 4.166 0.01 A 35 VAL HB H 1 1.868 0.01 A 35 VAL HGx% H 1 0.879 0.01 A 35 VAL HGy% H 1 0.813 0.01 A 35 VAL CA C 13 62.733 0.25 A 35 VAL CB C 13 32.315 0.25 A 35 VAL N N 15 124.618 0.06 A 36 LEU H H 1 8.688 0.01 A 36 LEU CA C 13 50.484 0.25 A 36 LEU CB C 13 41.192 0.25 A 36 LEU N N 15 108.308 0.06 A 37 PRO HA H 1 4.390 0.01 A 37 PRO HBy H 1 2.323 0.01 A 37 PRO HBx H 1 1.986 0.01 A 37 PRO HD2 H 1 3.720 0.01 A 37 PRO HD3 H 1 3.720 0.01 A 37 PRO HG2 H 1 2.088 0.01 A 37 PRO HG3 H 1 2.088 0.01 A 37 PRO C C 13 176.240 0.06 A 37 PRO CA C 13 64.718 0.25 A 37 PRO CB C 13 32.603 0.25 A 38 ASP H H 1 7.107 0.01 A 38 ASP HA H 1 4.272 0.01 A 38 ASP HB2 H 1 2.902 0.01 A 38 ASP HB3 H 1 2.902 0.01 A 38 ASP C C 13 174.566 0.06 A 38 ASP CA C 13 52.589 0.25 A 38 ASP CB C 13 42.381 0.25 A 38 ASP N N 15 111.540 0.06 A 39 ILE H H 1 8.096 0.01 A 39 ILE HA H 1 3.563 0.01 A 39 ILE HB H 1 1.590 0.01 A 39 ILE HD1% H 1 0.845 0.01 A 39 ILE HG1y H 1 1.340 0.01 A 39 ILE HG1x H 1 1.192 0.01 A 39 ILE HG2% H 1 1.075 0.01 A 39 ILE C C 13 176.609 0.06 A 39 ILE CA C 13 63.151 0.25 A 39 ILE CB C 13 38.401 0.25 A 39 ILE N N 15 118.049 0.06 A 40 ASP H H 1 7.919 0.01 A 40 ASP HB2 H 1 2.592 0.01 A 40 ASP HB3 H 1 2.592 0.01 A 40 ASP C C 13 179.109 0.06 A 40 ASP CA C 13 57.718 0.25 A 40 ASP CB C 13 40.549 0.25 A 40 ASP N N 15 123.096 0.06 A 41 THR H H 1 8.747 0.01 A 41 THR HA H 1 3.933 0.01 A 41 THR HG2% H 1 1.372 0.01 A 41 THR C C 13 177.991 0.06 A 41 THR CA C 13 66.222 0.25 A 41 THR CB C 13 68.200 0.25 A 41 THR N N 15 115.411 0.06 A 42 LEU H H 1 7.957 0.01 A 42 LEU HA H 1 4.097 0.01 A 42 LEU HBy H 1 2.171 0.01 A 42 LEU HBx H 1 1.643 0.01 A 42 LEU HDx% H 1 0.987 0.01 A 42 LEU HDy% H 1 0.836 0.01 A 42 LEU HG H 1 1.401 0.01 A 42 LEU C C 13 177.171 0.06 A 42 LEU CA C 13 59.055 0.25 A 42 LEU CB C 13 41.352 0.25 A 42 LEU N N 15 124.027 0.06 A 43 GLN H H 1 8.148 0.01 A 43 GLN HA H 1 4.027 0.01 A 43 GLN HBy H 1 2.254 0.01 A 43 GLN HBx H 1 2.146 0.01 A 43 GLN HGy H 1 2.589 0.01 A 43 GLN HGx H 1 2.478 0.01 A 43 GLN C C 13 178.656 0.06 A 43 GLN CA C 13 59.289 0.25 A 43 GLN CB C 13 28.094 0.25 A 43 GLN N N 15 117.352 0.06 A 44 ILE H H 1 7.423 0.01 A 44 ILE HA H 1 3.787 0.01 A 44 ILE HB H 1 1.877 0.01 A 44 ILE HD1% H 1 0.955 0.01 A 44 ILE HG1y H 1 1.705 0.01 A 44 ILE HG1x H 1 1.229 0.01 A 44 ILE HG2% H 1 1.086 0.01 A 44 ILE C C 13 178.168 0.06 A 44 ILE CA C 13 64.302 0.25 A 44 ILE CB C 13 38.436 0.25 A 44 ILE N N 15 118.482 0.06 A 45 HIS H H 1 8.239 0.01 A 45 HIS HA H 1 4.197 0.01 A 45 HIS HBy H 1 3.566 0.01 A 45 HIS HBx H 1 3.216 0.01 A 45 HIS C C 13 178.567 0.06 A 45 HIS CA C 13 60.199 0.25 A 45 HIS CB C 13 28.189 0.25 A 45 HIS N N 15 119.300 0.06 A 46 VAL H H 1 9.050 0.01 A 46 VAL HA H 1 3.715 0.01 A 46 VAL HB H 1 2.273 0.01 A 46 VAL HGx% H 1 1.390 0.01 A 46 VAL HGy% H 1 1.199 0.01 A 46 VAL C C 13 177.814 0.06 A 46 VAL CA C 13 66.524 0.25 A 46 VAL CB C 13 32.167 0.25 A 46 VAL N N 15 116.775 0.06 A 47 MET H H 1 7.371 0.01 A 47 MET HA H 1 4.173 0.01 A 47 MET HGy H 1 2.753 0.01 A 47 MET HGx H 1 2.671 0.01 A 47 MET C C 13 176.758 0.06 A 47 MET CA C 13 58.225 0.25 A 47 MET CB C 13 32.404 0.25 A 47 MET N N 15 117.452 0.06 A 48 ASP H H 1 6.887 0.01 A 48 ASP HA H 1 4.813 0.01 A 48 ASP HBy H 1 2.715 0.01 A 48 ASP HBx H 1 2.408 0.01 A 48 ASP C C 13 174.927 0.06 A 48 ASP CA C 13 54.080 0.25 A 48 ASP CB C 13 42.564 0.25 A 48 ASP N N 15 115.879 0.06 A 49 CYS H H 1 7.381 0.01 A 49 CYS HBy H 1 2.614 0.01 A 49 CYS HBx H 1 2.201 0.01 A 49 CYS C C 13 175.518 0.06 A 49 CYS CA C 13 61.381 0.25 A 49 CYS CB C 13 29.062 0.25 A 49 CYS N N 15 124.146 0.06 A 50 ILE H H 1 8.102 0.01 A 50 ILE HA H 1 4.306 0.01 A 50 ILE HB H 1 1.974 0.01 A 50 ILE HD1% H 1 0.880 0.01 A 50 ILE HG1y H 1 1.428 0.01 A 50 ILE HG1x H 1 1.127 0.01 A 50 ILE HG2% H 1 1.001 0.01 A 50 ILE C C 13 175.110 0.06 A 50 ILE CA C 13 61.307 0.25 A 50 ILE CB C 13 39.015 0.25 A 50 ILE N N 15 124.784 0.06 A 51 ILE H H 1 7.543 0.01 A 51 ILE CA C 13 62.547 0.25 A 51 ILE CB C 13 39.162 0.25 A 51 ILE N N 15 129.084 0.06 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 32 CYS H A 31 LYS H 1.0 1.718 3.280 2 2 A 45 HIS H A 46 VAL H 1.0 1.761 3.471 3 3 A 46 VAL H A 47 MET H 1.0 1.708 3.236 4 4 A 34 GLU H A 29 CYS H 1.0 1.882 4.174 5 5 A 42 LEU H A 41 THR H 1.0 1.748 3.412 6 6 A 41 THR H A 40 ASP H 1.0 1.710 3.240 7 7 A 34 GLU H A 29 CYS H 1.0 1.898 4.300 8 8 A 32 CYS H A 31 LYS H 1.0 1.711 3.249 9 9 A 32 CYS H A 33 GLY H 1.0 1.669 3.073 10 10 A 45 HIS H A 46 VAL H 1.0 1.742 3.384 11 11 A 45 HIS H A 44 ILE H 1.0 1.698 3.192 12 12 A 42 LEU H A 43 GLN H 1.0 1.750 3.422 13 13 A 44 ILE H A 43 GLN H 1.0 1.729 3.323 14 14 A 40 ASP H A 39 ILE H 1.0 1.736 3.360 15 15 A 51 ILE H A 50 ILE H 1.0 1.859 4.013 16 16 A 32 CYS H A 33 GLY H 1.0 1.662 3.048 17 17 A 42 LEU H A 41 THR H 1.0 1.775 3.543 18 18 A 42 LEU H A 43 GLN H 1.0 1.735 3.353 19 19 A 41 THR H A 40 ASP H 1.0 1.749 3.417 20 20 A 40 ASP H A 39 ILE H 1.0 1.746 3.404 21 21 A 51 ILE H A 50 ILE H 1.0 1.868 4.080 22 22 A 45 HIS H A 44 ILE H 1.0 1.707 3.233 23 23 A 44 ILE H A 43 GLN H 1.0 1.734 3.348 24 24 A 47 MET H A 48 ASP H 1.0 1.641 2.969 25 25 A 46 VAL H A 47 MET H 1.0 1.701 3.207 26 26 A 43 GLN HE2y A 43 GLN HE2x 1.0 1.427 2.293 27 27 A 47 MET H A 48 ASP H 1.0 1.618 2.886 28 28 A 43 GLN HE2y A 43 GLN HE2x 1.0 1.412 2.252 29 29 A 28 SER H A 28 SER HA 1.0 1.870 4.086 30 30 A 29 CYS H A 28 SER HA 1.0 1.568 2.714 31 31 A 29 CYS H A 29 CYS HA 1.0 1.900 4.308 32 32 A 31 LYS H A 31 LYS HA 1.0 1.824 3.800 33 33 A 51 ILE H A 50 ILE HA 1.0 1.589 2.785 34 34 A 26 ILE H A 25 PRO HA 1.0 1.575 2.735 35 35 A 38 ASP H A 38 ASP HA 1.0 1.755 3.445 36 36 A 45 HIS H A 45 HIS HA 1.0 1.750 3.422 37 37 A 47 MET H A 47 MET HA 1.0 1.698 3.196 38 38 A 45 HIS H A 42 LEU HA 1.0 1.886 4.198 39 39 A 51 ILE H A 51 ILE HA 1.0 1.833 3.857 40 40 A 43 GLN H A 43 GLN HA 1.0 1.761 3.475 41 41 A 26 ILE H A 26 ILE HA 1.0 1.854 3.984 42 42 A 49 CYS H A 49 CYS HA 1.0 1.817 3.765 43 43 A 26 ILE HA A 27 HIS H 1.0 1.721 3.293 44 44 A 34 GLU H A 34 GLU HA 1.0 1.782 3.580 45 45 A 41 THR H A 41 THR HA 1.0 1.718 3.276 46 46 A 44 ILE H A 41 THR HA 1.0 1.862 4.036 47 47 A 44 ILE H A 44 ILE HA 1.0 1.757 3.455 48 48 A 46 VAL H A 46 VAL HA 1.0 1.776 3.546 49 49 A 49 CYS H A 46 VAL HA 1.0 1.789 3.615 50 50 A 46 VAL H A 45 HIS HBx 1.0 1.773 3.531 51 51 A 45 HIS H A 45 HIS HBx 1.0 1.710 3.246 52 52 A 29 CYS H A 28 SER HB3 1.0 1.739 3.367 53 53 A 46 VAL H A 45 HIS HBy 1.0 1.891 4.239 54 54 A 45 HIS H A 45 HIS HBy 1.0 1.750 3.424 55 55 A 27 HIS H A 27 HIS HBx 1.0 1.905 4.349 56 56 A 38 ASP H A 38 ASP HB3 1.0 1.882 4.176 57 57 A 47 MET H A 47 MET HGx 1.0 1.880 4.158 58 58 A 48 ASP H A 48 ASP HBx 1.0 1.901 4.319 59 59 A 41 THR H A 40 ASP HB3 1.0 1.759 3.465 60 60 A 32 CYS H A 32 CYS HBy 1.0 1.872 4.104 61 61 A 48 ASP H A 48 ASP HBy 1.0 1.816 3.754 62 62 A 46 VAL H A 46 VAL HB 1.0 1.753 3.435 63 63 A 47 MET H A 46 VAL HB 1.0 1.862 4.032 64 64 A 43 GLN H A 43 GLN HBx 1.0 1.761 3.475 65 65 A 44 ILE H A 43 GLN HBx 1.0 1.901 4.317 66 66 A 49 CYS H A 49 CYS HBy 1.0 1.710 3.244 67 67 A 43 GLN H A 43 GLN HBy 1.0 1.760 3.470 68 68 A 44 ILE H A 43 GLN HBy 1.0 1.893 4.259 69 69 A 31 LYS H A 31 LYS HBx 1.0 1.787 3.601 70 70 A 32 CYS H A 31 LYS HBx 1.0 1.841 3.905 71 71 A 34 GLU H A 34 GLU HG2 1.0 1.732 3.340 72 72 A 31 LYS H A 30 PRO HBy 1.0 1.880 4.158 73 73 A 31 LYS H A 31 LYS HBy 1.0 1.822 3.792 74 74 A 32 CYS H A 31 LYS HBy 1.0 1.851 3.965 75 75 A 44 ILE H A 44 ILE HB 1.0 1.699 3.197 76 76 A 45 HIS H A 44 ILE HB 1.0 1.801 3.675 77 77 A 51 ILE H A 51 ILE HB 1.0 1.797 3.653 78 78 A 44 ILE H A 44 ILE HG1x 1.0 1.789 3.613 79 79 A 26 ILE H A 26 ILE HB 1.0 1.838 3.888 80 80 A 31 LYS H A 31 LYS HG3 1.0 1.864 4.050 81 81 A 46 VAL H A 46 VAL HGx% 1.0 1.668 3.074 82 82 A 47 MET H A 46 VAL HGx% 1.0 1.839 3.887 83 83 A 41 THR H A 41 THR HG2% 1.0 1.865 4.061 84 84 A 44 ILE H A 44 ILE HG1y 1.0 1.855 3.993 85 85 A 46 VAL H A 46 VAL HGy% 1.0 1.770 3.518 86 86 A 47 MET H A 46 VAL HGy% 1.0 1.892 4.256 87 87 A 44 ILE H A 44 ILE HD1% 1.0 1.857 4.003 88 88 A 36 LEU H A 35 VAL HGy% 1.0 1.786 3.598 89 89 A 26 ILE H A 26 ILE HD1% 1.0 1.910 4.388 90 90 A 45 HIS H A 43 GLN H 1.0 1.912 4.406 91 91 A 45 HIS H A 43 GLN H 1.0 1.943 4.709 92 92 A 34 GLU H A 35 VAL H 1.0 1.946 4.738 93 93 A 34 GLU H A 35 VAL H 1.0 1.941 4.685 94 94 A 29 CYS H A 33 GLY H 1.0 1.957 4.877 95 95 A 29 CYS H A 33 GLY H 1.0 1.954 4.832 96 96 A 26 ILE H A 27 HIS H 1.0 1.970 5.052 97 97 A 26 ILE H A 27 HIS H 1.0 1.961 4.917 98 98 A 47 MET H A 47 MET HGy 1.0 1.916 4.450 99 99 A 47 MET H A 44 ILE HA 1.0 1.936 4.630 100 100 A 32 CYS H A 32 CYS HA 1.0 1.875 4.129 101 101 A 27 HIS H A 26 ILE HD1% 1.0 1.846 3.934 102 102 A 48 ASP H A 47 MET HA 1.0 1.824 3.808 103 103 A 38 ASP H A 42 LEU HDy% 1.0 1.945 4.719 104 104 A 51 ILE H A 50 ILE HB 1.0 1.941 4.683 105 105 A 43 GLN H A 43 GLN HGy 1.0 1.887 4.211 106 106 A 43 GLN H A 42 LEU HBy 1.0 1.921 4.491 107 107 A 43 GLN H A 42 LEU HDy% 1.0 1.912 4.406 108 108 A 26 ILE H A 26 ILE HG1x 1.0 1.907 4.371 109 109 A 42 LEU H A 41 THR H 1.0 1.835 3.869 110 110 A 34 GLU H A 36 LEU H 1.0 1.254 1.860 111 111 A 34 GLU H A 33 GLY H 1.0 1.875 4.129 112 112 A 34 GLU H A 35 VAL H 1.0 1.862 4.042 113 113 A 48 ASP H A 49 CYS H 1.0 1.704 3.220 114 114 A 41 THR H A 40 ASP H 1.0 1.837 3.877 115 115 A 32 CYS H A 31 LYS H 1.0 1.771 3.525 116 116 A 45 HIS H A 46 VAL H 1.0 1.887 4.215 117 117 A 45 HIS H A 44 ILE H 1.0 1.807 3.709 118 118 A 32 CYS H A 31 LYS H 1.0 1.808 3.712 119 119 A 46 VAL H A 47 MET H 1.0 1.809 3.719 120 120 A 45 HIS H A 46 VAL H 1.0 1.865 4.057 121 121 A 32 CYS H A 33 GLY H 1.0 1.751 3.425 122 122 A 42 LEU H A 43 GLN H 1.0 1.833 3.859 123 123 A 43 GLN H A 39 ILE H 1.0 1.883 4.183 124 124 A 45 HIS H A 44 ILE H 1.0 1.856 3.994 125 125 A 44 ILE H A 43 GLN H 1.0 1.890 4.238 126 126 A 46 VAL H A 47 MET H 1.0 1.834 3.862 127 127 A 40 ASP H A 39 ILE H 1.0 1.834 3.864 128 128 A 44 ILE H A 43 GLN H 1.0 1.828 3.826 129 129 A 47 MET H A 48 ASP H 1.0 1.783 3.581 130 130 A 32 CYS H A 33 GLY H 1.0 1.729 3.323 131 131 A 43 GLN HE2y A 43 GLN HE2x 1.0 1.568 2.716 132 132 A 43 GLN HE2y A 43 GLN HE2x 1.0 1.507 2.523 133 133 A 51 ILE H A 50 ILE HA 1.0 1.731 3.337 134 134 A 51 ILE H A 47 MET HA 1.0 1.996 5.652 135 135 A 51 ILE H A 51 ILE HA 1.0 1.920 4.486 136 136 A 51 ILE H A 50 ILE HB 1.0 1.996 5.644 137 137 A 51 ILE H A 46 VAL HGx% 1.0 1.949 4.779 138 138 A 51 ILE H A 46 VAL HGy% 1.0 1.908 4.378 139 139 A 51 ILE H A 50 ILE HD1% 1.0 1.905 4.355 140 140 A 29 CYS H A 28 SER HA 1.0 1.640 2.964 141 141 A 29 CYS H A 29 CYS HA 1.0 1.907 4.363 142 142 A 29 CYS H A 33 GLY HAx 1.0 1.960 4.912 143 143 A 38 ASP HA A 27 HIS H 1.0 1.999 6.225 144 144 A 29 CYS H A 28 SER HB3 1.0 1.896 4.278 145 145 A 29 CYS H A 32 CYS HBx 1.0 1.998 5.722 146 146 A 26 ILE HA A 27 HIS H 1.0 1.782 3.574 147 147 A 27 HIS H A 27 HIS HBx 1.0 1.901 4.319 148 148 A 27 HIS H A 27 HIS HBy 1.0 1.993 5.535 149 149 A 29 CYS H A 49 CYS HBy 1.0 1.997 6.289 150 150 A 29 CYS H A 42 LEU HDy% 1.0 1.957 4.865 151 151 A 27 HIS H A 26 ILE HD1% 1.0 1.982 5.250 152 152 A 49 CYS H A 48 ASP HA 1.0 1.939 4.663 153 153 A 34 GLU H A 33 GLY HAx 1.0 1.971 5.065 154 154 A 35 VAL H A 35 VAL HA 1.0 1.946 4.734 155 155 A 50 ILE H A 50 ILE HA 1.0 1.943 4.699 156 156 A 42 LEU H A 42 LEU HA 1.0 1.868 4.076 157 157 A 40 ASP H A 38 ASP HA 1.0 1.997 5.701 158 158 A 45 HIS HA A 49 CYS H 1.0 2.000 5.970 159 159 A 34 GLU H A 34 GLU HA 1.0 1.874 4.122 160 160 A 34 GLU H A 33 GLY HAy 1.0 1.955 4.849 161 161 A 34 GLU H A 32 CYS HBx 1.0 1.995 5.593 162 162 A 50 ILE H A 49 CYS HA 1.0 1.717 3.275 163 163 A 50 ILE H A 46 VAL HA 1.0 1.998 5.762 164 164 A 42 LEU H A 41 THR HA 1.0 1.859 4.011 165 165 A 49 CYS H A 49 CYS HA 1.0 1.871 4.097 166 166 A 49 CYS H A 46 VAL HA 1.0 1.917 4.451 167 167 A 50 ILE H A 49 CYS HBx 1.0 1.971 5.059 168 168 A 49 CYS H A 49 CYS HBx 1.0 1.739 3.369 169 169 A 49 CYS H A 48 ASP HBy 1.0 1.955 4.837 170 170 A 34 GLU H A 34 GLU HG3 1.0 2.000 5.896 171 171 A 34 GLU H A 34 GLU HB3 1.0 1.741 3.383 172 172 A 35 VAL H A 34 GLU HG3 1.0 1.918 4.464 173 173 A 35 VAL H A 34 GLU HB3 1.0 1.934 4.612 174 174 A 35 VAL H A 35 VAL HB 1.0 1.715 3.263 175 175 A 50 ILE H A 50 ILE HB 1.0 1.878 4.146 176 176 A 42 LEU H A 42 LEU HBx 1.0 1.746 3.402 177 177 A 49 CYS H A 49 CYS HBy 1.0 1.736 3.360 178 178 A 50 ILE H A 50 ILE HG1x 1.0 1.902 4.328 179 179 A 50 ILE H A 50 ILE HG1y 1.0 1.909 4.387 180 180 A 42 LEU H A 42 LEU HDx% 1.0 1.995 5.595 181 181 A 49 CYS H A 46 VAL HGx% 1.0 1.999 6.185 182 182 A 35 VAL H A 35 VAL HGx% 1.0 1.805 3.695 183 183 A 50 ILE H A 50 ILE HD1% 1.0 1.943 4.703 184 184 A 42 LEU H A 42 LEU HDy% 1.0 1.974 5.120 185 185 A 31 LYS H A 30 PRO HA 1.0 1.977 5.165 186 186 A 31 LYS H A 31 LYS HA 1.0 1.924 4.516 187 187 A 40 ASP H A 40 ASP HA 1.0 1.859 4.019 188 188 A 40 ASP H A 39 ILE HA 1.0 1.996 5.628 189 189 A 40 ASP H A 38 ASP HB3 1.0 1.928 4.560 190 190 A 40 ASP H A 40 ASP HB3 1.0 1.738 3.364 191 191 A 31 LYS H A 31 LYS HBx 1.0 1.811 3.727 192 192 A 31 LYS H A 31 LYS HBy 1.0 1.883 4.185 193 193 A 31 LYS H A 31 LYS HG3 1.0 1.863 4.047 194 194 A 40 ASP H A 39 ILE HB 1.0 1.977 5.179 195 195 A 40 ASP H A 39 ILE HD1% 1.0 1.896 4.280 196 196 A 45 HIS H A 45 HIS HA 1.0 1.873 4.113 197 197 A 26 ILE H A 25 PRO HA 1.0 1.726 3.314 198 198 A 45 HIS H A 41 THR HA 1.0 2.000 6.028 199 199 A 45 HIS H A 46 VAL HA 1.0 1.987 5.381 200 200 A 45 HIS H A 45 HIS HBx 1.0 1.744 3.398 201 201 A 26 ILE H A 26 ILE HA 1.0 1.950 4.782 202 202 A 45 HIS H A 45 HIS HBy 1.0 1.801 3.675 203 203 A 45 HIS H A 44 ILE HB 1.0 1.826 3.814 204 204 A 45 HIS H A 44 ILE HG1x 1.0 2.000 5.868 205 205 A 26 ILE H A 25 PRO HBx 1.0 1.999 6.109 206 206 A 45 HIS H A 44 ILE HD1% 1.0 1.972 5.084 207 207 A 26 ILE H A 26 ILE HB 1.0 1.868 4.078 208 208 A 26 ILE H A 26 ILE HG1x 1.0 1.970 5.056 209 209 A 45 HIS H A 42 LEU HDy% 1.0 1.996 5.642 210 210 A 26 ILE H A 26 ILE HD1% 1.0 1.976 5.162 211 211 A 32 CYS H A 32 CYS HA 1.0 1.934 4.612 212 212 A 46 VAL H A 45 HIS HA 1.0 1.995 5.609 213 213 A 46 VAL H A 43 GLN HA 1.0 1.966 4.988 214 214 A 32 CYS H A 31 LYS HA 1.0 1.998 5.738 215 215 A 39 ILE H A 38 ASP HA 1.0 1.743 3.389 216 216 A 39 ILE H A 42 LEU HA 1.0 1.994 5.568 217 217 A 43 GLN H A 40 ASP HA 1.0 1.971 5.063 218 218 A 43 GLN H A 43 GLN HA 1.0 1.861 4.029 219 219 A 44 ILE H A 43 GLN HA 1.0 1.998 5.740 220 220 A 47 MET H A 47 MET HA 1.0 1.815 3.753 221 221 A 47 MET H A 43 GLN HA 1.0 1.997 5.673 222 222 A 46 VAL H A 46 VAL HA 1.0 1.878 4.146 223 223 A 46 VAL H A 45 HIS HBx 1.0 1.798 3.660 224 224 A 32 CYS H A 33 GLY HAy 1.0 1.999 5.925 225 225 A 32 CYS H A 32 CYS HBx 1.0 1.983 5.271 226 226 A 39 ILE H A 26 ILE HA 1.0 2.000 6.054 227 227 A 39 ILE H A 39 ILE HA 1.0 1.873 4.111 228 228 A 43 GLN H A 39 ILE HA 1.0 1.992 5.484 229 229 A 44 ILE H A 41 THR HA 1.0 1.958 4.888 230 230 A 44 ILE H A 44 ILE HA 1.0 1.867 4.071 231 231 A 47 MET H A 46 VAL HA 1.0 1.960 4.906 232 232 A 46 VAL H A 45 HIS HBy 1.0 1.970 5.054 233 233 A 32 CYS H A 32 CYS HBy 1.0 1.916 4.440 234 234 A 39 ILE H A 38 ASP HB3 1.0 1.693 3.175 235 235 A 39 ILE H A 40 ASP HB3 1.0 2.000 6.122 236 236 A 43 GLN H A 43 GLN HGx 1.0 1.924 4.518 237 237 A 47 MET H A 47 MET HGy 1.0 1.931 4.585 238 238 A 46 VAL H A 43 GLN HBy 1.0 1.993 5.539 239 239 A 46 VAL H A 46 VAL HB 1.0 1.785 3.589 240 240 A 32 CYS H A 31 LYS HBx 1.0 1.859 4.011 241 241 A 32 CYS H A 31 LYS HBy 1.0 1.902 4.328 242 242 A 43 GLN H A 43 GLN HGy 1.0 1.969 5.027 243 243 A 44 ILE H A 43 GLN HBx 1.0 1.941 4.679 244 244 A 44 ILE H A 44 ILE HB 1.0 1.732 3.336 245 245 A 44 ILE H A 44 ILE HG1x 1.0 1.819 3.775 246 246 A 47 MET H A 46 VAL HB 1.0 1.915 4.437 247 247 A 46 VAL H A 46 VAL HGx% 1.0 1.781 3.571 248 248 A 46 VAL H A 46 VAL HGy% 1.0 1.888 4.218 249 249 A 32 CYS H A 31 LYS HG3 1.0 1.993 5.521 250 250 A 39 ILE H A 39 ILE HB 1.0 1.761 3.473 251 251 A 39 ILE H A 39 ILE HG1x 1.0 1.982 5.258 252 252 A 39 ILE H A 39 ILE HG1y 1.0 1.950 4.790 253 253 A 43 GLN H A 42 LEU HBy 1.0 1.980 5.234 254 254 A 44 ILE H A 44 ILE HG1y 1.0 1.897 4.287 255 255 A 44 ILE H A 44 ILE HD1% 1.0 1.981 5.245 256 256 A 47 MET H A 46 VAL HGx% 1.0 1.933 4.601 257 257 A 47 MET H A 46 VAL HGy% 1.0 1.980 5.224 258 258 A 46 VAL H A 42 LEU HDy% 1.0 1.987 5.353 259 259 A 43 GLN H A 42 LEU HDy% 1.0 1.994 5.560 260 260 A 44 ILE H A 42 LEU HDy% 1.0 1.986 5.350 261 261 A 28 SER H A 28 SER HA 1.0 1.927 4.543 262 262 A 48 ASP H A 48 ASP HA 1.0 1.821 3.785 263 263 A 41 THR H A 40 ASP HA 1.0 1.984 5.308 264 264 A 41 THR H A 42 LEU HA 1.0 1.997 5.709 265 265 A 28 SER H A 27 HIS HA 1.0 1.794 3.636 266 266 A 28 SER H A 33 GLY HAx 1.0 1.998 6.288 267 267 A 41 THR H A 41 THR HA 1.0 1.752 3.434 268 268 A 28 SER H A 28 SER HB3 1.0 1.892 4.246 269 269 A 48 ASP H A 49 CYS HA 1.0 1.997 6.299 270 270 A 48 ASP H A 46 VAL HA 1.0 1.996 5.626 271 271 A 41 THR H A 38 ASP HB3 1.0 2.000 5.946 272 272 A 41 THR H A 40 ASP HB3 1.0 1.760 3.472 273 273 A 28 SER H A 27 HIS HBx 1.0 2.000 6.142 274 274 A 28 SER H A 27 HIS HBy 1.0 1.998 5.742 275 275 A 48 ASP H A 48 ASP HBx 1.0 1.929 4.561 276 276 A 48 ASP H A 48 ASP HBy 1.0 1.779 3.565 277 277 A 41 THR H A 41 THR HG2% 1.0 1.893 4.263 278 278 A 28 SER H A 42 LEU HDx% 1.0 1.985 5.329 279 279 A 28 SER H A 26 ILE HD1% 1.0 1.999 6.173 280 280 A 33 GLY H A 32 CYS HA 1.0 1.966 5.000 281 281 A 33 GLY H A 33 GLY HAx 1.0 1.824 3.800 282 282 A 33 GLY H A 33 GLY HAy 1.0 1.680 3.118 283 283 A 33 GLY H A 28 SER HB3 1.0 1.999 5.765 284 284 A 33 GLY H A 32 CYS HBx 1.0 1.995 5.617 285 285 A 33 GLY H A 30 PRO HBx 1.0 1.983 5.287 286 286 A 33 GLY H A 30 PRO HBy 1.0 2.000 5.958 287 287 A 38 ASP H A 36 LEU HA 1.0 2.000 6.088 288 288 A 38 ASP H A 38 ASP HA 1.0 1.846 3.936 289 289 A 38 ASP H A 42 LEU HA 1.0 1.995 5.597 290 290 A 38 ASP H A 38 ASP HB3 1.0 1.918 4.462 291 291 A 38 ASP H A 37 PRO HBx 1.0 2.000 6.058 292 292 A 38 ASP H A 37 PRO HBy 1.0 1.890 4.230 293 293 A 51 ILE H A 50 ILE H 1.0 1.995 5.633 294 294 A 34 GLU H A 29 CYS H 1.0 1.927 4.545 295 295 A 29 CYS H A 35 VAL H 1.0 1.995 5.625 296 296 A 29 CYS H A 33 GLY H 1.0 1.980 5.218 297 297 A 29 CYS H A 33 GLY HAy 1.0 1.997 6.325 298 298 A 26 ILE H A 27 HIS H 1.0 1.997 5.681 299 299 A 27 HIS H A 26 ILE HG1x 1.0 1.982 6.784 300 300 A 34 GLU H A 35 VAL H 1.0 1.950 4.784 301 301 A 51 ILE H A 50 ILE H 1.0 1.915 4.431 302 302 A 50 ILE H A 49 CYS H 1.0 1.934 4.622 303 303 A 49 CYS H A 45 HIS HBx 1.0 1.989 6.623 304 304 A 42 LEU H A 38 ASP H 1.0 1.976 5.152 305 305 A 42 LEU H A 40 ASP HB3 1.0 1.996 6.346 306 306 A 40 ASP H A 38 ASP HA 1.0 1.997 5.701 307 307 A 31 LYS H A 31 LYS HD3 1.0 1.983 6.767 308 308 A 31 LYS H A 33 GLY H 1.0 1.974 5.112 309 309 A 44 ILE H A 40 ASP HA 1.0 1.972 6.980 310 310 A 44 ILE H A 43 GLN HGx 1.0 1.974 6.932 311 311 A 39 ILE H A 38 ASP H 1.0 1.995 5.633 312 312 A 32 CYS H A 31 LYS HA 1.0 1.998 5.738 313 313 A 47 MET H A 45 HIS HBx 1.0 1.989 6.605 314 314 A 46 VAL H A 48 ASP H 1.0 1.986 5.334 315 315 A 28 SER H A 33 GLY HAx 1.0 1.998 6.288 316 316 A 48 ASP H A 46 VAL HGx% 1.0 1.992 6.508 317 317 A 48 ASP H A 46 VAL HGy% 1.0 1.975 6.921 318 318 A 48 ASP H A 44 ILE HD1% 1.0 1.946 7.368 319 319 A 41 THR H A 39 ILE HA 1.0 1.994 6.454 320 320 A 41 THR H A 43 GLN HGy 1.0 1.994 6.454 321 321 A 41 THR H A 38 ASP H 1.0 1.984 5.316 322 322 A 31 LYS H A 33 GLY H 1.0 1.998 5.754 323 323 A 42 LEU H A 38 ASP H 1.0 1.988 6.624 324 324 A 41 THR H A 38 ASP H 1.0 1.992 6.494 325 325 A 40 ASP H A 41 THR HA 1.0 1.976 6.906 326 326 A 50 ILE H A 49 CYS H 1.0 1.983 5.265 327 327 A 29 CYS HA A 49 CYS H 1.0 1.992 6.510 328 328 A 49 CYS H A 46 VAL HGy% 1.0 1.993 6.475 329 329 A 49 CYS H A 45 HIS HBx 1.0 1.989 6.623 330 330 A 42 LEU H A 45 HIS HBy 1.0 1.967 7.059 331 331 A 42 LEU H A 40 ASP HA 1.0 1.963 7.127 332 332 A 34 GLU H A 36 LEU H 1.0 1.254 1.860 333 333 A 34 GLU H A 35 VAL HB 1.0 1.934 7.522 334 334 A 34 GLU H A 36 LEU H 1.0 1.254 1.860 335 335 A 28 SER HA A 35 VAL H 1.0 1.940 7.450 336 336 A 43 GLN H A 42 LEU HDx% 1.0 1.915 4.437 337 336 A 43 GLN H A 44 ILE HD1% 1.0 1.915 4.437 338 337 A 42 LEU H A 41 THR H 1.0 1.709 3.241 339 337 A 41 THR H A 40 ASP H 1.0 1.709 3.241 340 338 A 48 ASP H A 49 CYS H 1.0 1.656 3.024 341 338 A 47 MET H A 48 ASP H 1.0 1.656 3.024 342 339 A 27 HIS H A 25 PRO HGy 1.0 1.984 5.314 343 339 A 27 HIS H A 26 ILE HB 1.0 1.984 5.314 344 340 A 42 LEU H A 44 ILE HA 1.0 2.000 5.996 345 340 A 42 LEU H A 25 PRO HDx 1.0 2.000 5.996 346 341 A 42 LEU H A 45 HIS HBx 1.0 1.936 4.628 347 341 A 42 LEU H A 39 ILE HA 1.0 1.936 4.628 348 342 A 50 ILE H A 30 PRO HG3 1.0 1.999 5.825 349 342 A 50 ILE H A 49 CYS HBy 1.0 1.999 5.825 350 343 A 42 LEU H A 25 PRO HGy 1.0 1.943 4.707 351 343 A 42 LEU H A 39 ILE HB 1.0 1.943 4.707 352 344 A 42 LEU H A 42 LEU HG 1.0 1.764 3.486 353 344 A 42 LEU H A 41 THR HG2% 1.0 1.764 3.486 354 345 A 42 LEU H A 46 VAL HGy% 1.0 1.999 6.009 355 345 A 42 LEU H A 44 ILE HG1y 1.0 1.999 6.009 356 346 A 40 ASP H A 41 THR HG2% 1.0 2.000 6.004 357 346 A 40 ASP H A 39 ILE HG1x 1.0 2.000 6.004 358 347 A 45 HIS H A 25 PRO HGy 1.0 1.998 5.750 359 347 A 45 HIS H A 42 LEU HBy 1.0 1.998 5.750 360 348 A 45 HIS H A 41 THR HG2% 1.0 1.994 5.568 361 348 A 45 HIS H A 46 VAL HGx% 1.0 1.994 5.568 362 349 A 45 HIS H A 46 VAL HGy% 1.0 2.000 6.020 363 349 A 45 HIS H A 44 ILE HG1y 1.0 2.000 6.020 364 350 A 26 ILE H A 42 LEU HDx% 1.0 1.946 4.744 365 350 A 26 ILE H A 26 ILE HG1y 1.0 1.946 4.744 366 351 A 43 GLN H A 43 GLN HBy 1.0 1.733 3.347 367 351 A 43 GLN H A 42 LEU HBx 1.0 1.733 3.347 368 352 A 43 GLN H A 46 VAL HGx% 1.0 1.939 4.669 369 352 A 43 GLN H A 42 LEU HG 1.0 1.939 4.669 370 353 A 43 GLN H A 42 LEU HDx% 1.0 1.999 5.897 371 353 A 43 GLN H A 44 ILE HD1% 1.0 1.999 5.897 372 354 A 44 ILE H A 41 THR HG2% 1.0 1.998 5.726 373 354 A 44 ILE H A 42 LEU HG 1.0 1.998 5.726 374 354 A 44 ILE H A 46 VAL HGx% 1.0 1.998 5.726 375 355 A 39 ILE H A 42 LEU HDy% 1.0 1.851 3.963 376 355 A 39 ILE H A 39 ILE HD1% 1.0 1.851 3.963 377 356 A 48 ASP H A 47 MET HA 1.0 1.933 4.599 378 356 A 48 ASP H A 45 HIS HA 1.0 1.933 4.599 379 357 A 41 THR H A 42 LEU HDy% 1.0 1.998 5.732 380 357 A 41 THR H A 39 ILE HD1% 1.0 1.998 5.732 381 358 A 33 GLY H A 29 CYS HA 1.0 1.997 6.285 382 358 A 33 GLY H A 30 PRO HA 1.0 1.997 6.285 383 359 A 38 ASP H A 42 LEU HG 1.0 1.978 5.184 384 359 A 38 ASP H A 41 THR HG2% 1.0 1.978 5.184 385 360 A 29 CYS H A 34 GLU HB3 1.0 1.982 6.776 386 360 A 29 CYS H A 30 PRO HBy 1.0 1.982 6.776 387 361 A 31 LYS H A 42 LEU HDy% 1.0 1.990 6.564 388 361 A 31 LYS H A 50 ILE HD1% 1.0 1.990 6.564 389 362 A 28 SER H A 42 LEU HBy 1.0 1.969 7.017 390 362 A 28 SER H A 26 ILE HB 1.0 1.969 7.017 391 362 A 28 SER H A 25 PRO HGy 1.0 1.969 7.017 392 363 A 41 THR H A 43 GLN HBy 1.0 1.990 6.560 393 363 A 41 THR H A 42 LEU HBx 1.0 1.990 6.560 394 364 A 41 THR H A 43 GLN H 1.0 1.981 5.241 395 364 A 41 THR H A 39 ILE H 1.0 1.981 5.241 396 365 A 40 ASP H A 43 GLN HBy 1.0 1.962 7.142 397 365 A 40 ASP H A 42 LEU HBx 1.0 1.962 7.142 398 366 A 49 CYS H A 42 LEU HDy% 1.0 1.986 6.686 399 366 A 49 CYS H A 50 ILE HD1% 1.0 1.986 6.686 400 367 A 42 LEU H A 25 PRO HGx 1.0 1.991 6.553 401 367 A 42 LEU H A 37 PRO HBy 1.0 1.991 6.553 402 368 A 28 SER HA A 36 LEU H 1.0 1.854 3.982 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 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 43 GLN H A 39 ILE O 1.0 1.5 2.5 2 2 A 39 ILE O A 43 GLN N 1.0 2.5 3.5 3 3 A 44 ILE H A 40 ASP O 1.0 1.5 2.5 4 4 A 40 ASP O A 44 ILE N 1.0 2.5 3.5 5 5 A 45 HIS H A 41 THR O 1.0 1.5 2.5 6 6 A 41 THR O A 45 HIS N 1.0 2.5 3.5 7 7 A 46 VAL H A 42 LEU O 1.0 1.5 2.5 8 8 A 42 LEU O A 46 VAL N 1.0 2.5 3.5 9 9 A 47 MET H A 43 GLN O 1.0 1.5 2.5 10 10 A 43 GLN O A 47 MET N 1.0 2.5 3.5 11 11 A 48 ASP H A 44 ILE O 1.0 1.5 2.5 12 12 A 44 ILE O A 48 ASP N 1.0 2.5 3.5 13 13 A 49 CYS H A 45 HIS O 1.0 1.5 2.5 14 14 A 45 HIS O A 49 CYS N 1.0 2.5 3.5 15 15 A 46 VAL O A 50 ILE N 1.0 2.5 4.1 stop_ save_ save_CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_5 _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 43 GLN H A 39 ILE O 1.0 1.4 2.4 2 2 A 39 ILE O A 43 GLN N 1.0 2.4 3.4 3 3 A 44 ILE H A 40 ASP O 1.0 1.4 2.4 4 4 A 40 ASP O A 44 ILE N 1.0 2.4 3.4 5 5 A 45 HIS H A 41 THR O 1.0 1.4 2.4 6 6 A 41 THR O A 45 HIS N 1.0 2.4 3.4 7 7 A 46 VAL H A 42 LEU O 1.0 1.4 2.4 8 8 A 42 LEU O A 46 VAL N 1.0 2.4 3.4 9 9 A 47 MET H A 43 GLN O 1.0 1.4 2.4 10 10 A 43 GLN O A 47 MET N 1.0 2.4 3.4 11 11 A 48 ASP H A 44 ILE O 1.0 1.4 2.4 12 12 A 44 ILE O A 48 ASP N 1.0 2.4 3.4 13 13 A 49 CYS H A 45 HIS O 1.0 1.4 2.4 14 14 A 45 HIS O A 49 CYS N 1.0 2.4 3.4 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 27 HIS C A 28 SER N A 28 SER CA A 28 SER C 1.0 -140.0 -100.0 PHI 2 2 A 30 PRO C A 31 LYS N A 31 LYS CA A 31 LYS C 1.0 -160.0 -80.0 PHI 3 3 A 31 LYS C A 32 CYS N A 32 CYS CA A 32 CYS C 1.0 -160.0 -80.0 PHI 4 4 A 32 CYS C A 33 GLY N A 33 GLY CA A 33 GLY C 1.0 -160.0 -80.0 PHI 5 5 A 34 GLU C A 35 VAL N A 35 VAL CA A 35 VAL C 1.0 -160.0 -80.0 PHI 6 6 A 35 VAL C A 36 LEU N A 36 LEU CA A 36 LEU C 1.0 -160.0 -80.0 PHI 7 7 A 37 PRO C A 38 ASP N A 38 ASP CA A 38 ASP C 1.0 -105.0 -25.0 PHI 8 8 A 38 ASP C A 39 ILE N A 39 ILE CA A 39 ILE C 1.0 -105.0 -25.0 PHI 9 9 A 39 ILE C A 40 ASP N A 40 ASP CA A 40 ASP C 1.0 -105.0 -25.0 PHI 10 10 A 40 ASP C A 41 THR N A 41 THR CA A 41 THR C 1.0 -105.0 -25.0 PHI 11 11 A 41 THR C A 42 LEU N A 42 LEU CA A 42 LEU C 1.0 -105.0 -25.0 PHI 12 12 A 42 LEU C A 43 GLN N A 43 GLN CA A 43 GLN C 1.0 -105.0 -25.0 PHI 13 13 A 43 GLN C A 44 ILE N A 44 ILE CA A 44 ILE C 1.0 -105.0 -25.0 PHI 14 14 A 44 ILE C A 45 HIS N A 45 HIS CA A 45 HIS C 1.0 -105.0 -25.0 PHI 15 15 A 45 HIS C A 46 VAL N A 46 VAL CA A 46 VAL C 1.0 -105.0 -25.0 PHI 16 16 A 46 VAL C A 47 MET N A 47 MET CA A 47 MET C 1.0 -105.0 -25.0 PHI 17 17 A 47 MET C A 48 ASP N A 48 ASP CA A 48 ASP C 1.0 -105.0 -25.0 PHI 18 18 A 48 ASP C A 49 CYS N A 49 CYS CA A 49 CYS C 1.0 -105.0 -25.0 PHI stop_ save_