data_nef_c34033_5lo4 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 5LO4 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 1 ACE C 1 2 PRO N 1 20 LYS C 1 21 4PH N 1 21 4PH C 1 22 GLN N 1 27 LYS C 1 28 4PH N 1 28 4PH C 1 29 GLN N 1 34 ASP C 1 35 4PH N 1 35 4PH C 1 36 NH2 N 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 0 ACE start . . 2 A 1 PRO middle -H false 3 A 2 PRO middle . false 4 A 3 THR middle . . 5 A 4 LYS middle . . 6 A 5 PRO middle . false 7 A 6 THR middle . . 8 A 7 LYS middle . . 9 A 8 PRO middle . false 10 A 9 GLY middle . false 11 A 10 ASP middle . . 12 A 11 ASN middle . . 13 A 12 ALA middle . . 14 A 13 THR middle . . 15 A 14 PRO middle . false 16 A 15 GLU middle . . 17 A 16 LYS middle . . 18 A 17 LEU middle . . 19 A 18 ALA middle . . 20 A 19 LYS middle -OXT . 21 A 20 4PH middle -H2,-OXT . 22 A 21 GLN middle -H2 . 23 A 22 ALA middle . . 24 A 23 ASP middle . . 25 A 24 LEU middle . . 26 A 25 ALA middle . . 27 A 26 LYS middle -OXT . 28 A 27 4PH middle -H2,-OXT . 29 A 28 GLN middle -H2 . 30 A 29 LYS middle . . 31 A 30 ASP middle . . 32 A 31 LEU middle . . 33 A 32 ALA middle . . 34 A 33 ASP middle -OXT . 35 A 34 4PH middle -H2,-OXT . 36 A 35 NH2 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 0 ACE H% H 1 2.098 0.002 A 0 ACE CH3 C 13 26.034 0.000 A 1 PRO HA H 1 3.664 0.001 A 1 PRO HBx H 1 1.757 0.001 A 1 PRO HBy H 1 1.896 0.004 A 1 PRO HDx H 1 3.496 0.003 A 1 PRO HDy H 1 3.573 0.001 A 1 PRO HGy H 1 1.897 0.003 A 1 PRO HGx H 1 1.758 0.003 A 1 PRO CA C 13 62.591 0.000 A 2 PRO HA H 1 4.549 0.002 A 2 PRO HBy H 1 2.372 0.005 A 2 PRO HBx H 1 2.103 0.002 A 2 PRO HDx H 1 3.207 0.002 A 2 PRO HDy H 1 3.302 0.006 A 2 PRO HGy H 1 1.760 0.002 A 2 PRO HGx H 1 1.708 0.007 A 3 THR H H 1 8.672 0.008 A 3 THR HA H 1 4.337 0.016 A 3 THR HB H 1 3.937 0.017 A 3 THR HG2% H 1 1.147 0.001 A 3 THR CA C 13 64.290 0.000 A 3 THR CG2 C 13 23.560 0.000 A 3 THR N N 15 114.567 0.000 A 4 LYS H H 1 8.686 0.002 A 4 LYS HA H 1 2.870 0.004 A 4 LYS HBy H 1 1.425 0.003 A 4 LYS HBx H 1 1.370 0.005 A 4 LYS HD2 H 1 1.370 0.004 A 4 LYS HD3 H 1 1.370 0.004 A 4 LYS HEx H 1 2.864 0.002 A 4 LYS HEy H 1 2.903 0.000 A 4 LYS HGy H 1 1.122 0.005 A 4 LYS HGx H 1 0.647 0.003 A 4 LYS N N 15 128.405 0.000 A 5 PRO HA H 1 4.495 0.002 A 5 PRO HB2 H 1 2.398 0.001 A 5 PRO HDy H 1 3.421 0.003 A 5 PRO HDx H 1 3.101 0.005 A 5 PRO HGy H 1 1.664 0.003 A 5 PRO HGx H 1 1.561 0.008 A 6 THR H H 1 8.584 0.002 A 6 THR HG2% H 1 1.192 0.002 A 6 THR CB C 13 72.241 0.009 A 6 THR CG2 C 13 23.760 0.000 A 6 THR N N 15 115.866 0.000 A 7 LYS H H 1 8.640 0.002 A 7 LYS HA H 1 3.258 0.004 A 7 LYS HB2 H 1 1.539 0.000 A 7 LYS HDy H 1 1.451 0.002 A 7 LYS HDx H 1 1.334 0.004 A 7 LYS HE2 H 1 2.929 0.004 A 7 LYS HE3 H 1 2.929 0.004 A 7 LYS HG2 H 1 0.952 0.003 A 7 LYS HG3 H 1 0.952 0.003 A 7 LYS CA C 13 56.791 0.000 A 7 LYS N N 15 127.254 0.000 A 8 PRO HA H 1 4.354 0.017 A 8 PRO HBy H 1 2.181 0.014 A 8 PRO HBx H 1 1.777 0.013 A 8 PRO HDy H 1 3.006 0.013 A 8 PRO HDx H 1 2.849 0.007 A 8 PRO HGy H 1 1.704 0.014 A 8 PRO HGx H 1 1.696 0.005 A 8 PRO CA C 13 64.748 0.000 A 9 GLY H H 1 8.366 0.023 A 9 GLY HAx H 1 3.866 0.020 A 9 GLY HAy H 1 4.009 0.023 A 9 GLY N N 15 106.688 0.000 A 10 ASP H H 1 8.536 0.003 A 10 ASP HA H 1 4.344 0.008 A 10 ASP HBy H 1 2.654 0.005 A 10 ASP HBx H 1 2.530 0.002 A 10 ASP N N 15 117.720 0.000 A 11 ASN H H 1 8.644 0.003 A 11 ASN HA H 1 4.670 0.004 A 11 ASN HBx H 1 2.862 0.005 A 11 ASN HBy H 1 2.863 0.004 A 11 ASN HD21 H 1 7.726 0.002 A 11 ASN HD22 H 1 7.028 0.003 A 11 ASN CA C 13 54.809 0.000 A 11 ASN CB C 13 39.586 0.000 A 11 ASN N N 15 114.754 0.000 A 11 ASN ND2 N 15 111.990 0.007 A 12 ALA H H 1 7.489 0.003 A 12 ALA HA H 1 4.288 0.001 A 12 ALA HB% H 1 1.397 0.003 A 12 ALA CA C 13 54.706 0.000 A 12 ALA CB C 13 21.868 0.000 A 12 ALA N N 15 120.868 0.000 A 13 THR H H 1 7.700 0.002 A 13 THR HA H 1 4.579 0.001 A 13 THR HB H 1 4.827 0.002 A 13 THR HG2% H 1 1.454 0.001 A 13 THR CB C 13 70.309 0.000 A 13 THR CG2 C 13 24.477 0.000 A 13 THR N N 15 110.064 0.000 A 14 PRO HA H 1 4.257 0.000 A 14 PRO HBx H 1 1.980 0.004 A 14 PRO HBy H 1 1.982 0.002 A 14 PRO HDx H 1 3.925 0.004 A 14 PRO HDy H 1 3.985 0.001 A 14 PRO HGy H 1 2.261 0.001 A 14 PRO HGx H 1 2.091 0.007 A 14 PRO CA C 13 67.775 0.000 A 15 GLU H H 1 9.074 0.005 A 15 GLU HA H 1 4.167 0.004 A 15 GLU HBx H 1 1.973 0.003 A 15 GLU HBy H 1 2.141 0.003 A 15 GLU HGx H 1 2.345 0.002 A 15 GLU HGy H 1 2.420 0.014 A 15 GLU N N 15 116.636 0.000 A 16 LYS H H 1 7.882 0.002 A 16 LYS HA H 1 4.179 0.013 A 16 LYS HBx H 1 1.830 0.003 A 16 LYS HBy H 1 2.076 0.003 A 16 LYS N N 15 120.750 0.000 A 17 LEU H H 1 8.398 0.002 A 17 LEU HA H 1 4.157 0.004 A 17 LEU HBy H 1 1.893 0.002 A 17 LEU HBx H 1 1.653 0.004 A 17 LEU HDx% H 1 0.863 0.001 A 17 LEU HDy% H 1 0.892 0.001 A 17 LEU CDx C 13 25.004 0.000 A 17 LEU CDy C 13 26.959 0.000 A 17 LEU N N 15 120.611 0.000 A 18 ALA H H 1 8.427 0.003 A 18 ALA HA H 1 4.261 0.003 A 18 ALA HB% H 1 1.521 0.005 A 18 ALA N N 15 121.386 0.000 A 19 LYS H H 1 8.045 0.002 A 19 LYS HA H 1 4.210 0.011 A 19 LYS HBx H 1 1.972 0.002 A 19 LYS HBy H 1 2.045 0.002 A 19 LYS HGx H 1 1.523 0.007 A 19 LYS HGy H 1 1.526 0.007 A 19 LYS N N 15 119.950 0.000 A 20 4PH H H 1 7.965 0.006 A 20 4PH H33% H 1 2.289 0.003 A 20 4PH HA H 1 4.588 0.002 A 20 4PH HBy H 1 3.249 0.005 A 20 4PH HBx H 1 3.174 0.009 A 20 4PH HD1 H 1 7.194 0.003 A 20 4PH HD2 H 1 7.195 0.003 A 20 4PH HE1 H 1 6.974 0.003 A 20 4PH HE2 H 1 6.975 0.005 A 20 4PH C33 C 13 25.153 0.000 A 20 4PH CA C 13 61.713 0.000 A 20 4PH CD1 C 13 133.980 0.000 A 20 4PH CD2 C 13 133.980 0.000 A 20 4PH CE1 C 13 134.191 0.000 A 20 4PH CE2 C 13 134.191 0.000 A 20 4PH N N 15 117.996 0.000 A 21 GLN H H 1 8.019 0.013 A 21 GLN HA H 1 3.705 0.005 A 21 GLN HBy H 1 2.193 0.014 A 21 GLN HBx H 1 2.180 0.007 A 21 GLN HE21 H 1 7.092 0.002 A 21 GLN HE22 H 1 7.773 0.002 A 21 GLN HGy H 1 2.688 0.000 A 21 GLN HGx H 1 2.620 0.002 A 21 GLN CA C 13 60.682 0.000 A 21 GLN N N 15 114.882 0.000 A 21 GLN NE2 N 15 111.268 0.010 A 22 ALA H H 1 7.974 0.003 A 22 ALA HA H 1 4.235 0.002 A 22 ALA HB% H 1 1.563 0.004 A 22 ALA CB C 13 19.965 0.000 A 22 ALA N N 15 122.202 0.000 A 23 ASP H H 1 9.186 0.002 A 23 ASP HA H 1 4.427 0.002 A 23 ASP HBy H 1 2.845 0.006 A 23 ASP HBx H 1 2.475 0.005 A 23 ASP N N 15 121.250 0.000 A 24 LEU H H 1 9.086 0.003 A 24 LEU HA H 1 3.916 0.002 A 24 LEU HBy H 1 1.571 0.008 A 24 LEU HBx H 1 0.931 0.003 A 24 LEU HDx% H 1 0.807 0.003 A 24 LEU HDy% H 1 0.809 0.002 A 24 LEU CA C 13 59.713 0.000 A 24 LEU N N 15 123.895 0.000 A 25 ALA H H 1 7.811 0.002 A 25 ALA HA H 1 4.200 0.001 A 25 ALA HB% H 1 1.522 0.006 A 25 ALA N N 15 120.618 0.000 A 26 LYS H H 1 7.931 0.003 A 26 LYS HA H 1 4.108 0.006 A 26 LYS HBx H 1 1.928 0.007 A 26 LYS HBy H 1 2.018 0.007 A 26 LYS HGy H 1 1.521 0.007 A 26 LYS HGx H 1 1.520 0.008 A 26 LYS N N 15 118.772 0.000 A 27 4PH H H 1 8.198 0.003 A 27 4PH H33% H 1 2.338 0.001 A 27 4PH HA H 1 4.444 0.007 A 27 4PH HBx H 1 3.249 0.004 A 27 4PH HBy H 1 3.317 0.002 A 27 4PH HD1 H 1 7.066 0.005 A 27 4PH HD2 H 1 7.065 0.005 A 27 4PH HE1 H 1 7.038 0.005 A 27 4PH HE2 H 1 7.038 0.004 A 27 4PH C33 C 13 25.846 0.000 A 27 4PH CD1 C 13 133.969 0.000 A 27 4PH CD2 C 13 133.969 0.000 A 27 4PH CE1 C 13 134.237 0.000 A 27 4PH CE2 C 13 134.237 0.000 A 27 4PH N N 15 119.122 0.000 A 28 GLN H H 1 8.321 0.002 A 28 GLN HA H 1 3.641 0.003 A 28 GLN HBx H 1 2.050 0.003 A 28 GLN HBy H 1 2.184 0.003 A 28 GLN HE21 H 1 7.490 0.015 A 28 GLN HE22 H 1 6.997 0.003 A 28 GLN HGx H 1 2.561 0.011 A 28 GLN HGy H 1 2.681 0.015 A 28 GLN CA C 13 60.727 0.000 A 28 GLN N N 15 115.082 0.000 A 28 GLN NE2 N 15 109.316 0.002 A 29 LYS H H 1 7.708 0.002 A 29 LYS HA H 1 4.099 0.004 A 29 LYS HBx H 1 1.906 0.002 A 29 LYS HBy H 1 2.046 0.006 A 29 LYS N N 15 120.479 0.000 A 30 ASP H H 1 8.935 0.002 A 30 ASP HA H 1 4.325 0.007 A 30 ASP HBy H 1 2.756 0.003 A 30 ASP HBx H 1 2.525 0.003 A 30 ASP N N 15 119.619 0.000 A 31 LEU H H 1 8.709 0.003 A 31 LEU HA H 1 3.840 0.003 A 31 LEU HBy H 1 1.481 0.002 A 31 LEU HBx H 1 1.381 0.001 A 31 LEU HDx% H 1 1.013 0.004 A 31 LEU HDy% H 1 0.762 0.003 A 31 LEU CA C 13 59.492 0.000 A 31 LEU N N 15 120.711 0.000 A 32 ALA H H 1 7.600 0.002 A 32 ALA HA H 1 4.111 0.002 A 32 ALA HB% H 1 1.509 0.003 A 32 ALA N N 15 121.106 0.000 A 33 ASP H H 1 8.161 0.002 A 33 ASP HA H 1 4.433 0.001 A 33 ASP HBx H 1 2.677 0.007 A 33 ASP HBy H 1 2.679 0.004 A 33 ASP N N 15 116.322 0.000 A 34 4PH H H 1 7.976 0.003 A 34 4PH H33% H 1 2.285 0.005 A 34 4PH HA H 1 4.235 0.007 A 34 4PH HBy H 1 3.197 0.005 A 34 4PH HBx H 1 3.092 0.004 A 34 4PH HD1 H 1 7.186 0.007 A 34 4PH HD2 H 1 7.189 0.004 A 34 4PH HE1 H 1 7.168 0.004 A 34 4PH HE2 H 1 7.167 0.004 A 34 4PH C33 C 13 25.271 0.000 A 34 4PH CD1 C 13 134.080 0.000 A 34 4PH CD2 C 13 134.080 0.000 A 34 4PH CE1 C 13 134.034 0.000 A 34 4PH CE2 C 13 134.034 0.000 A 34 4PH N N 15 119.991 0.000 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 1 PRO HBx A 1 PRO HA 1.0 1.691 3.163 2 2 A 1 PRO HDx A 1 PRO HGx 1.0 1.911 4.405 3 3 A 7 LYS HA A 8 PRO HDy 1.0 1.623 2.903 4 4 A 5 PRO HDx A 4 LYS HA 1.0 1.718 3.280 5 5 A 1 PRO HA A 2 PRO HDy 1.0 1.670 3.078 6 6 A 28 GLN HGx A 28 GLN HA 1.0 1.862 4.040 7 7 A 6 THR HA A 6 THR HG2% 1.0 1.529 2.587 8 8 A 6 THR HG2% A 6 THR HB 1.0 1.475 2.427 9 9 A 3 THR HB A 3 THR HG2% 1.0 1.490 2.470 10 10 A 17 LEU HA A 17 LEU HDy% 1.0 1.897 4.291 11 11 A 17 LEU HA A 17 LEU HDx% 1.0 1.541 2.625 12 12 A 31 LEU HA A 31 LEU HDx% 1.0 2.406 4.304 13 13 A 24 LEU HA A 24 LEU HDx% 1.0 1.550 2.658 14 14 A 24 LEU HDy% A 21 GLN HA 1.0 1.853 3.977 15 15 A 31 LEU HA A 31 LEU HDy% 1.0 1.552 2.662 16 16 A 28 GLN HA A 31 LEU HDy% 1.0 1.930 4.568 17 17 A 30 ASP HA A 33 ASP HBx 1.0 1.757 3.455 18 18 A 18 ALA HA A 21 GLN HGx 1.0 1.854 3.988 19 19 A 26 LYS HBx A 26 LYS HA 1.0 1.871 4.101 20 20 A 8 PRO HBy A 8 PRO HA 1.0 1.886 4.206 21 21 A 22 ALA HA A 22 ALA HB% 1.0 1.432 2.306 22 22 A 18 ALA HA A 18 ALA HB% 1.0 1.428 2.294 23 23 A 25 ALA HA A 25 ALA HB% 1.0 1.525 2.575 24 24 A 32 ALA HA A 32 ALA HB% 1.0 1.495 2.485 25 25 A 15 GLU HGy A 15 GLU HBx 1.0 1.877 4.141 26 26 A 28 GLN HGx A 28 GLN HBy 1.0 1.861 4.027 27 27 A 8 PRO HDx A 8 PRO HGy 1.0 1.841 3.903 28 28 A 2 PRO HGx A 2 PRO HDx 1.0 1.748 3.410 29 29 A 5 PRO HDx A 24 LEU HDx% 1.0 1.782 3.580 30 30 A 5 PRO HDx A 4 LYS HGy 1.0 1.831 3.845 31 31 A 3 THR HG2% A 3 THR HA 1.0 1.576 2.742 32 32 A 14 PRO HDy A 13 THR HG2% 1.0 1.946 4.740 33 33 A 17 LEU HDy% A 17 LEU HBx 1.0 2.221 3.499 34 34 A 17 LEU HDx% A 17 LEU HBx 1.0 1.881 4.163 35 35 A 4 LYS HGx A 27 4PH H33% 1.0 1.747 3.409 36 36 A 31 LEU HDy% A 31 LEU HBx 1.0 1.791 3.625 37 37 A 31 LEU HDy% A 31 LEU HBy 1.0 1.502 2.506 38 38 A 31 LEU HDx% A 31 LEU HDy% 1.0 1.409 2.243 39 39 A 31 LEU HDx% A 31 LEU HBx 1.0 1.643 2.977 40 40 A 24 LEU HBy A 24 LEU HBx 1.0 1.552 2.664 41 41 A 4 LYS HGy A 5 PRO HGx 1.0 2.323 4.299 42 42 A 17 LEU HDy% A 17 LEU HBy 1.0 2.338 3.418 43 43 A 17 LEU HDx% A 17 LEU HBy 1.0 1.758 2.676 44 44 A 8 PRO HBy A 12 ALA HB% 1.0 1.639 2.963 45 45 A 28 GLN HBy A 28 GLN HBx 1.0 1.560 2.688 46 46 A 1 PRO HGx A 1 PRO HDy 1.0 1.771 3.525 47 47 A 7 LYS HA A 20 4PH H33% 1.0 2.376 3.804 48 48 A 8 PRO HDy A 20 4PH H33% 1.0 2.159 3.863 49 49 A 21 GLN HA A 24 LEU HBx 1.0 2.000 5.856 50 50 A 5 PRO HDx A 5 PRO HGx 1.0 1.584 2.768 51 51 A 13 THR HG2% A 14 PRO HDx 1.0 1.966 4.992 52 52 A 14 PRO HDy A 13 THR HA 1.0 1.523 2.571 53 53 A 10 ASP HA A 10 ASP HBy 1.0 1.735 3.355 54 54 A 10 ASP HA A 10 ASP HBx 1.0 1.900 4.310 55 55 A 2 PRO HBy A 2 PRO HA 1.0 1.899 4.301 56 56 A 13 THR HG2% A 13 THR HB 1.0 1.515 2.545 57 57 A 13 THR HG2% A 13 THR HA 1.0 1.516 2.550 58 58 A 12 ALA HB% A 12 ALA HA 1.0 1.454 2.366 59 59 A 14 PRO HDx A 14 PRO HGx 1.0 1.785 3.589 60 60 A 26 LYS H A 25 ALA H 1.0 1.782 3.576 61 61 A 16 LYS H A 17 LEU H 1.0 1.720 3.288 62 62 A 24 LEU H A 23 ASP H 1.0 1.844 3.922 63 63 A 28 GLN HE21 A 28 GLN HE22 1.0 1.257 1.867 64 64 A 21 GLN HE22 A 21 GLN HE21 1.0 1.246 1.842 65 65 A 11 ASN HD22 A 11 ASN HD21 1.0 1.278 1.916 66 66 A 12 ALA HA A 12 ALA H 1.0 1.775 3.543 67 67 A 18 ALA HA A 21 GLN H 1.0 1.882 4.174 68 68 A 32 ALA HA A 33 ASP H 1.0 1.923 4.505 69 69 A 21 GLN HA A 24 LEU H 1.0 1.959 4.897 70 70 A 21 GLN HGx A 21 GLN H 1.0 1.642 2.976 71 71 A 6 THR H A 5 PRO HBy 1.0 1.913 4.423 72 72 A 3 THR H A 2 PRO HBx 1.0 1.996 6.362 73 73 A 20 4PH H33% A 7 LYS H 1.0 1.922 4.500 74 74 A 22 ALA H A 21 GLN HBx 1.0 1.921 4.489 75 75 A 9 GLY H A 8 PRO HBx 1.0 1.976 5.144 76 76 A 2 PRO HBy A 3 THR H 1.0 1.978 5.182 77 77 A 15 GLU HBx A 16 LYS H 1.0 1.844 3.916 78 78 A 13 THR H A 16 LYS HBy 1.0 4.000 6.136 79 79 A 17 LEU HBy A 17 LEU H 1.0 2.227 3.517 80 80 A 22 ALA HB% A 23 ASP H 1.0 1.665 3.061 81 81 A 22 ALA HB% A 22 ALA H 1.0 1.512 2.536 82 82 A 25 ALA HB% A 25 ALA H 1.0 1.522 2.566 83 83 A 18 ALA HB% A 18 ALA H 1.0 1.527 2.583 84 84 A 32 ALA HB% A 32 ALA H 1.0 1.476 2.428 85 85 A 32 ALA HB% A 33 ASP H 1.0 1.747 3.411 86 86 A 13 THR HG2% A 13 THR H 1.0 1.537 2.615 87 87 A 12 ALA HB% A 12 ALA H 1.0 1.501 2.503 88 88 A 12 ALA HB% A 9 GLY H 1.0 1.894 4.270 89 89 A 12 ALA HB% A 13 THR H 1.0 2.049 3.717 90 90 A 6 THR HG2% A 6 THR H 1.0 1.853 3.977 91 91 A 6 THR HG2% A 7 LYS H 1.0 2.085 3.539 92 92 A 31 LEU HDx% A 32 ALA H 1.0 1.990 5.434 93 93 A 17 LEU HDy% A 17 LEU H 1.0 1.964 4.954 94 94 A 17 LEU HDx% A 17 LEU H 1.0 1.927 4.541 95 95 A 17 LEU HDx% A 12 ALA H 1.0 1.996 5.630 96 96 A 24 LEU HDy% A 28 GLN HE21 1.0 1.962 4.940 97 97 A 31 LEU HDy% A 31 LEU H 1.0 1.947 4.749 98 98 A 31 LEU HDy% A 32 ALA H 1.0 1.999 5.829 99 99 A 3 THR HG2% A 4 LYS H 1.0 1.650 3.000 100 100 A 3 THR HG2% A 3 THR H 1.0 1.975 5.137 101 101 A 11 ASN HD22 A 11 ASN HBx 1.0 2.085 3.543 102 102 A 21 GLN HGx A 21 GLN HE21 1.0 1.748 3.410 103 103 A 15 GLU H A 15 GLU HGx 1.0 1.922 4.498 104 104 A 27 4PH H33% A 4 LYS H 1.0 2.327 4.323 105 105 A 17 LEU HBy A 18 ALA H 1.0 1.958 4.890 106 106 A 18 ALA HB% A 17 LEU H 1.0 1.959 4.905 107 107 A 28 GLN H A 28 GLN HGy 1.0 1.801 3.675 108 108 A 29 LYS HA A 30 ASP H 1.0 1.959 4.897 109 109 A 6 THR HB A 7 LYS H 1.0 1.878 4.146 110 110 A 6 THR HA A 6 THR H 1.0 1.810 3.726 111 111 A 21 GLN HA A 22 ALA H 1.0 1.954 4.836 112 112 A 28 GLN HGx A 28 GLN HE21 1.0 1.994 6.456 113 113 A 14 PRO HDy A 15 GLU HGx 1.0 1.989 6.619 114 114 A 14 PRO HDx A 15 GLU HGx 1.0 2.181 4.467 115 115 A 24 LEU HDx% A 5 PRO HDy 1.0 1.994 5.594 116 116 A 4 LYS HGy A 4 LYS HGx 1.0 1.749 3.417 117 117 A 24 LEU HDx% A 28 GLN HGy 1.0 1.946 4.740 118 118 A 17 LEU HDx% A 8 PRO HDx 1.0 1.974 5.112 119 119 A 5 PRO HDy A 5 PRO HGy 1.0 1.880 4.158 120 120 A 7 LYS HA A 7 LYS HDy 1.0 1.930 7.572 121 121 A 30 ASP HA A 33 ASP H 1.0 1.971 5.075 122 122 A 32 ALA H A 30 ASP H 1.0 1.971 6.999 123 123 A 29 LYS H A 29 LYS HBx 1.0 1.710 3.246 124 124 A 29 LYS H A 29 LYS HBy 1.0 1.787 3.601 125 125 A 13 THR HA A 13 THR H 1.0 1.782 3.580 126 126 A 12 ALA H A 11 ASN HA 1.0 1.816 3.754 127 127 A 12 ALA HA A 13 THR H 1.0 2.210 3.456 128 128 A 12 ALA H A 11 ASN H 1.0 1.876 4.130 129 129 A 6 THR HA A 7 LYS H 1.0 1.513 2.539 130 130 A 11 ASN HA A 11 ASN H 1.0 1.803 3.691 131 131 A 7 LYS HA A 7 LYS H 1.0 1.829 3.835 132 132 A 11 ASN H A 11 ASN HBy 1.0 1.833 3.859 133 133 A 9 GLY H A 9 GLY HAx 1.0 1.772 3.530 134 134 A 9 GLY HAy A 10 ASP H 1.0 1.919 4.479 135 135 A 8 PRO HA A 9 GLY H 1.0 1.600 2.824 136 136 A 8 PRO HBy A 8 PRO HBx 1.0 1.489 2.467 137 137 A 9 GLY HAx A 10 ASP H 1.0 1.768 3.506 138 138 A 10 ASP HBx A 10 ASP H 1.0 1.786 3.596 139 139 A 3 THR HA A 3 THR H 1.0 2.198 3.412 140 140 A 10 ASP HA A 10 ASP H 1.0 1.885 4.201 141 141 A 10 ASP HBy A 10 ASP H 1.0 1.916 4.444 142 142 A 21 GLN H A 21 GLN HBx 1.0 1.734 3.350 143 143 A 6 THR H A 5 PRO HA 1.0 1.540 2.624 144 144 A 15 GLU H A 14 PRO HA 1.0 1.789 3.613 145 145 A 28 GLN H A 29 LYS H 1.0 1.798 3.660 146 146 A 31 LEU H A 30 ASP H 1.0 1.833 3.855 147 147 A 30 ASP H A 29 LYS H 1.0 1.779 3.563 148 148 A 28 GLN HGx A 28 GLN H 1.0 1.950 4.788 149 149 A 21 GLN HGx A 21 GLN HE22 1.0 1.936 4.632 150 150 A 21 GLN HGx A 21 GLN HBx 1.0 1.642 2.974 151 151 A 21 GLN HA A 21 GLN H 1.0 1.789 3.609 152 152 A 16 LYS H A 15 GLU H 1.0 1.791 3.621 153 153 A 18 ALA H A 19 LYS H 1.0 1.726 3.314 154 154 A 32 ALA H A 31 LEU H 1.0 1.813 3.741 155 155 A 33 ASP H A 32 ALA H 1.0 1.772 3.524 156 156 A 23 ASP H A 22 ALA H 1.0 1.733 3.343 157 157 A 25 ALA H A 24 LEU H 1.0 1.797 3.653 158 158 A 33 ASP HA A 33 ASP H 1.0 1.778 3.560 159 159 A 5 PRO HDx A 5 PRO HDy 1.0 1.520 2.560 160 160 A 4 LYS HA A 5 PRO HDy 1.0 1.804 3.688 161 161 A 31 LEU HDx% A 31 LEU H 1.0 1.929 4.559 162 162 A 7 LYS HA A 8 PRO HDx 1.0 1.707 3.231 163 163 A 8 PRO HDy A 8 PRO HDx 1.0 1.526 2.578 164 164 A 6 THR HB A 6 THR H 1.0 2.106 3.626 165 165 A 6 THR HA A 6 THR HB 1.0 1.640 2.968 166 166 A 3 THR HB A 3 THR HA 1.0 1.797 3.651 167 167 A 15 GLU H A 15 GLU HBy 1.0 1.936 4.626 168 168 A 15 GLU HBx A 15 GLU H 1.0 1.708 3.236 169 169 A 15 GLU HBx A 15 GLU HBy 1.0 1.436 2.316 170 170 A 15 GLU HGy A 15 GLU H 1.0 2.000 5.920 171 171 A 15 GLU H A 15 GLU HA 1.0 1.763 3.481 172 172 A 24 LEU HA A 24 LEU H 1.0 1.797 3.655 173 173 A 16 LYS H A 16 LYS HA 1.0 1.763 3.483 174 174 A 17 LEU HA A 18 ALA H 1.0 1.859 4.017 175 175 A 28 GLN HA A 28 GLN H 1.0 1.801 3.679 176 176 A 28 GLN HE21 A 28 GLN HGy 1.0 2.000 5.954 177 177 A 21 GLN HA A 21 GLN HGx 1.0 1.774 3.536 178 178 A 32 ALA HA A 32 ALA H 1.0 1.722 3.298 179 179 A 29 LYS HA A 29 LYS H 1.0 1.782 3.576 180 180 A 2 PRO HA A 3 THR H 1.0 1.590 2.786 181 181 A 3 THR HA A 4 LYS H 1.0 1.537 2.613 182 182 A 14 PRO HDy A 13 THR HB 1.0 1.859 4.021 183 183 A 14 PRO HDx A 13 THR HB 1.0 1.716 3.270 184 184 A 14 PRO HDx A 13 THR HA 1.0 1.876 4.132 185 185 A 13 THR HA A 13 THR HB 1.0 1.783 3.579 186 186 A 8 PRO HA A 8 PRO HBx 1.0 1.665 3.061 187 187 A 3 THR HB A 3 THR H 1.0 1.753 3.437 188 188 A 4 LYS HA A 4 LYS H 1.0 1.874 4.118 189 189 A 2 PRO HA A 2 PRO HBx 1.0 1.739 3.369 190 190 A 13 THR HB A 13 THR H 1.0 1.984 5.306 191 191 A 14 PRO HDy A 14 PRO HGy 1.0 1.788 3.612 192 192 A 14 PRO HDx A 14 PRO HGy 1.0 1.971 5.053 193 193 A 14 PRO HDy A 14 PRO HGx 1.0 1.844 3.922 194 194 A 16 LYS H A 16 LYS HBx 1.0 1.709 3.237 195 195 A 16 LYS H A 16 LYS HBy 1.0 1.959 4.899 196 196 A 16 LYS HBy A 16 LYS HBx 1.0 1.539 2.621 197 197 A 17 LEU HBx A 17 LEU HBy 1.0 1.470 2.410 198 198 A 24 LEU HDy% A 24 LEU HBy 1.0 1.731 3.333 199 199 A 24 LEU HA A 24 LEU HBx 1.0 1.758 3.462 200 200 A 24 LEU HA A 24 LEU HBy 1.0 1.831 3.845 201 201 A 1 PRO HA A 2 PRO HDx 1.0 1.693 3.171 202 202 A 26 LYS HA A 26 LYS H 1.0 1.758 3.456 203 203 A 26 LYS HBx A 26 LYS H 1.0 1.717 3.271 204 204 A 26 LYS H A 26 LYS HBy 1.0 1.816 3.758 205 205 A 26 LYS H A 26 LYS HGx 1.0 2.601 4.109 206 206 A 26 LYS HBx A 23 ASP HA 1.0 1.832 3.846 207 207 A 30 ASP H A 30 ASP HBy 1.0 1.812 3.734 208 208 A 30 ASP H A 30 ASP HBx 1.0 1.963 4.949 209 209 A 30 ASP H A 29 LYS HBx 1.0 1.828 3.826 210 210 A 30 ASP H A 29 LYS HBy 1.0 1.995 5.601 211 211 A 30 ASP HA A 30 ASP HBx 1.0 1.730 3.334 212 212 A 30 ASP HA A 30 ASP HBy 1.0 1.908 4.376 213 213 A 31 LEU HA A 31 LEU H 1.0 1.827 3.823 214 214 A 31 LEU HBx A 31 LEU H 1.0 1.827 3.815 215 215 A 31 LEU H A 30 ASP HBy 1.0 1.929 4.567 216 216 A 31 LEU H A 30 ASP HBx 1.0 1.993 5.545 217 217 A 24 LEU HBx A 24 LEU H 1.0 1.796 3.646 218 218 A 24 LEU HBy A 24 LEU H 1.0 1.771 3.519 219 219 A 17 LEU H A 16 LYS HBx 1.0 1.890 4.232 220 220 A 31 LEU HA A 32 ALA H 1.0 1.930 4.576 221 221 A 24 LEU HA A 25 ALA H 1.0 1.952 4.804 222 222 A 5 PRO HBy A 5 PRO HA 1.0 1.794 3.640 223 223 A 1 PRO HDy A 1 PRO HGy 1.0 1.995 5.601 224 224 A 1 PRO HDx A 1 PRO HDy 1.0 1.436 2.316 225 225 A 4 LYS HGx A 4 LYS HBx 1.0 1.593 2.799 226 226 A 31 LEU HDy% A 27 4PH H33% 1.0 1.800 2.618 227 227 A 21 GLN HA A 24 LEU HBy 1.0 1.762 3.480 228 228 A 28 GLN HA A 31 LEU HBx 1.0 1.931 4.579 229 229 A 31 LEU HA A 31 LEU HBx 1.0 1.850 3.962 230 230 A 28 GLN HA A 28 GLN HBy 1.0 1.760 3.472 231 231 A 5 PRO HGx A 5 PRO HDy 1.0 1.926 4.538 232 232 A 7 LYS HA A 7 LYS HDx 1.0 1.954 4.832 233 233 A 5 PRO HDx A 5 PRO HGy 1.0 1.695 3.181 234 234 A 2 PRO HDy A 2 PRO HGy 1.0 1.711 3.251 235 235 A 2 PRO HDy A 2 PRO HGx 1.0 1.866 4.064 236 236 A 4 LYS HA A 4 LYS HGx 1.0 1.891 4.245 237 237 A 28 GLN HBy A 28 GLN HGy 1.0 1.937 4.641 238 238 A 15 GLU HBx A 15 GLU HGx 1.0 1.520 2.558 239 239 A 28 GLN HA A 28 GLN HGy 1.0 1.883 4.183 240 240 A 21 GLN HA A 21 GLN HBx 1.0 1.778 3.554 241 241 A 28 GLN HA A 28 GLN HBx 1.0 1.874 4.124 242 242 A 18 ALA HA A 21 GLN HBx 1.0 1.855 3.989 243 243 A 25 ALA HA A 28 GLN HBx 1.0 1.850 3.962 244 244 A 15 GLU HBy A 15 GLU HA 1.0 1.758 3.458 245 245 A 19 LYS HBx A 19 LYS HA 1.0 1.716 3.268 246 246 A 19 LYS HA A 19 LYS HBy 1.0 1.736 3.358 247 247 A 17 LEU HA A 17 LEU HBx 1.0 1.849 3.953 248 248 A 15 GLU HGy A 15 GLU HA 1.0 1.988 3.808 249 249 A 17 LEU HA A 17 LEU HBy 1.0 1.672 3.088 250 250 A 19 LYS H A 19 LYS HGy 1.0 2.251 3.925 251 251 A 23 ASP HA A 23 ASP HBy 1.0 1.846 3.932 252 252 A 15 GLU HGx A 15 GLU HA 1.0 1.886 4.206 253 253 A 12 ALA HB% A 8 PRO HBx 1.0 1.939 4.667 254 254 A 17 LEU HBx A 17 LEU H 1.0 1.786 3.594 255 255 A 28 GLN HBx A 28 GLN H 1.0 1.757 3.453 256 256 A 28 GLN HBy A 28 GLN H 1.0 1.974 5.108 257 257 A 19 LYS HBx A 19 LYS H 1.0 1.816 3.762 258 258 A 19 LYS H A 19 LYS HBy 1.0 2.287 3.749 259 259 A 24 LEU HBy A 25 ALA H 1.0 1.789 3.615 260 260 A 33 ASP HBx A 33 ASP H 1.0 1.734 3.346 261 261 A 18 ALA HA A 18 ALA H 1.0 1.723 3.297 262 262 A 17 LEU HA A 17 LEU H 1.0 1.779 3.563 263 263 A 23 ASP H A 23 ASP HA 1.0 1.790 3.618 264 264 A 22 ALA HA A 23 ASP H 1.0 1.930 4.572 265 265 A 23 ASP H A 23 ASP HBx 1.0 1.793 3.637 266 266 A 19 LYS H A 19 LYS HA 1.0 1.740 3.374 267 267 A 22 ALA HA A 25 ALA H 1.0 1.890 4.230 268 268 A 25 ALA HA A 25 ALA H 1.0 1.750 3.422 269 269 A 25 ALA HA A 28 GLN H 1.0 1.894 4.262 270 270 A 4 LYS H A 4 LYS HBx 1.0 1.753 3.435 271 271 A 30 ASP HA A 30 ASP H 1.0 1.826 3.810 272 272 A 8 PRO HBy A 8 PRO HDx 1.0 2.150 3.500 273 273 A 2 PRO HDx A 2 PRO HGy 1.0 1.924 4.516 274 274 A 16 LYS HBy A 16 LYS HA 1.0 1.710 3.242 275 275 A 2 PRO HBy A 2 PRO HBx 1.0 1.498 2.492 276 276 A 18 ALA HA A 17 LEU HBx 1.0 2.256 4.398 277 277 A 9 GLY H A 9 GLY HAy 1.0 1.802 3.684 278 278 A 8 PRO HBy A 13 THR H 1.0 2.358 5.292 279 279 A 28 GLN HBx A 29 LYS H 1.0 1.907 4.365 280 280 A 23 ASP H A 23 ASP HBy 1.0 1.930 4.574 281 281 A 17 LEU HBx A 18 ALA H 1.0 1.821 3.785 282 282 A 24 LEU HBx A 25 ALA H 1.0 1.997 5.723 283 283 A 26 LYS H A 23 ASP HA 1.0 1.928 4.554 284 284 A 4 LYS HA A 4 LYS HBx 1.0 1.881 4.167 285 285 A 4 LYS HA A 4 LYS HBy 1.0 1.854 3.990 286 286 A 8 PRO HA A 8 PRO HGy 1.0 1.939 4.659 287 287 A 8 PRO HA A 8 PRO HGx 1.0 1.996 5.618 288 288 A 31 LEU HA A 2 PRO HGy 1.0 1.969 5.029 289 289 A 31 LEU HA A 2 PRO HGx 1.0 1.889 4.225 290 290 A 16 LYS H A 15 GLU HBy 1.0 1.970 5.050 291 291 A 7 LYS H A 7 LYS HDy 1.0 1.991 5.467 292 292 A 28 GLN HA A 31 LEU H 1.0 1.982 5.250 293 293 A 15 GLU HGx A 15 GLU HBy 1.0 1.823 3.799 294 294 A 4 LYS HGy A 4 LYS H 1.0 1.959 7.185 295 295 A 4 LYS HA A 4 LYS HGy 1.0 1.889 4.227 296 296 A 4 LYS HGy A 5 PRO HDy 1.0 1.983 6.739 297 297 A 8 PRO HA A 9 GLY HAy 1.0 2.000 5.976 298 297 A 10 ASP HA A 9 GLY HAy 1.0 2.000 5.976 299 298 A 6 THR HB A 5 PRO HA 1.0 2.000 6.096 300 298 A 3 THR HB A 5 PRO HA 1.0 2.000 6.096 301 299 A 24 LEU HA A 24 LEU HBy 1.0 1.914 4.426 302 299 A 24 LEU HA A 5 PRO HGx 1.0 1.914 4.426 303 300 A 32 ALA HB% A 33 ASP HA 1.0 1.936 4.634 304 300 A 23 ASP HA A 26 LYS HGy 1.0 1.936 4.634 305 300 A 26 LYS HGx A 23 ASP HA 1.0 1.936 4.634 306 301 A 12 ALA HB% A 10 ASP HA 1.0 1.942 4.696 307 301 A 8 PRO HA A 12 ALA HB% 1.0 1.942 4.696 308 302 A 1 PRO HGx A 2 PRO HDx 1.0 1.994 6.440 309 302 A 1 PRO HBx A 2 PRO HDx 1.0 1.994 6.440 310 303 A 22 ALA HB% A 23 ASP HBx 1.0 1.971 5.067 311 303 A 24 LEU HBy A 23 ASP HBx 1.0 1.971 5.067 312 303 A 4 LYS HA A 5 PRO HGx 1.0 1.971 5.067 313 304 A 11 ASN HBx A 19 LYS HGx 1.0 2.530 5.172 314 304 A 19 LYS HGy A 23 ASP HBx 1.0 2.530 5.172 315 304 A 23 ASP HBx A 26 LYS HGy 1.0 2.530 5.172 316 304 A 25 ALA HB% A 23 ASP HBx 1.0 2.530 5.172 317 304 A 11 ASN HBx A 19 LYS HGy 1.0 2.530 5.172 318 304 A 23 ASP HBx A 19 LYS HGx 1.0 2.530 5.172 319 304 A 11 ASN HBy A 19 LYS HGy 1.0 2.530 5.172 320 304 A 26 LYS HGx A 23 ASP HBx 1.0 2.530 5.172 321 304 A 18 ALA HB% A 11 ASN HBx 1.0 2.530 5.172 322 305 A 4 LYS HGy A 4 LYS HEy 1.0 1.922 4.496 323 305 A 4 LYS HA A 4 LYS HGy 1.0 1.922 4.496 324 306 A 24 LEU HDy% A 24 LEU HBy 1.0 1.584 2.766 325 306 A 24 LEU HDx% A 5 PRO HGx 1.0 1.584 2.766 326 307 A 24 LEU HDx% A 24 LEU HBx 1.0 1.596 2.808 327 307 A 24 LEU HDy% A 24 LEU HBx 1.0 1.596 2.808 328 308 A 4 LYS HGy A 4 LYS HD2 1.0 1.774 3.540 329 308 A 4 LYS HGy A 4 LYS HD3 1.0 1.774 3.540 330 308 A 4 LYS HGy A 4 LYS HBy 1.0 1.774 3.540 331 309 A 14 PRO HGx A 14 PRO HBy 1.0 1.790 3.618 332 309 A 14 PRO HGx A 14 PRO HBx 1.0 1.790 3.618 333 310 A 20 4PH H33% A 7 LYS HE2 1.0 2.249 4.351 334 310 A 20 4PH H33% A 7 LYS HE3 1.0 2.249 4.351 335 311 A 11 ASN HBx A 11 ASN HA 1.0 1.619 2.891 336 311 A 11 ASN HA A 11 ASN HBy 1.0 1.619 2.891 337 312 A 30 ASP HA A 30 ASP HBx 1.0 1.785 3.593 338 312 A 10 ASP HA A 10 ASP HBx 1.0 1.785 3.593 339 313 A 16 LYS HA A 19 LYS HGy 1.0 2.304 3.818 340 313 A 18 ALA HB% A 15 GLU HA 1.0 2.304 3.818 341 313 A 18 ALA HB% A 16 LYS HA 1.0 2.304 3.818 342 313 A 17 LEU HA A 18 ALA HB% 1.0 2.304 3.818 343 314 A 15 GLU H A 14 PRO HA 1.0 1.861 4.035 344 314 A 13 THR HB A 15 GLU H 1.0 1.861 4.035 345 315 A 18 ALA HA A 21 GLN H 1.0 1.901 4.321 346 315 A 18 ALA HA A 19 LYS H 1.0 1.901 4.321 347 316 A 17 LEU HA A 17 LEU H 1.0 1.823 3.795 348 316 A 17 LEU H A 16 LYS HA 1.0 1.823 3.795 349 317 A 24 LEU HBy A 21 GLN H 1.0 1.911 4.397 350 317 A 22 ALA HB% A 21 GLN H 1.0 1.911 4.397 351 318 A 23 ASP H A 19 LYS HGy 1.0 1.981 5.245 352 318 A 25 ALA HB% A 23 ASP H 1.0 1.981 5.245 353 318 A 23 ASP H A 26 LYS HGx 1.0 1.981 5.245 354 318 A 23 ASP H A 19 LYS HGx 1.0 1.981 5.245 355 319 A 18 ALA HB% A 15 GLU H 1.0 1.981 5.251 356 319 A 25 ALA HB% A 24 LEU H 1.0 1.981 5.251 357 320 A 25 ALA HB% A 26 LYS H 1.0 1.685 3.143 358 320 A 26 LYS H A 26 LYS HGx 1.0 1.685 3.143 359 321 A 19 LYS H A 19 LYS HGy 1.0 1.720 3.288 360 321 A 18 ALA HB% A 19 LYS H 1.0 1.720 3.288 361 322 A 24 LEU HDx% A 24 LEU H 1.0 1.962 4.944 362 322 A 24 LEU HDy% A 24 LEU H 1.0 1.962 4.944 363 323 A 24 LEU HDx% A 25 ALA H 1.0 1.978 5.170 364 323 A 24 LEU HDy% A 25 ALA H 1.0 1.978 5.170 365 324 A 12 ALA H A 11 ASN HBx 1.0 1.975 5.131 366 324 A 12 ALA H A 11 ASN HBy 1.0 1.975 5.131 367 325 A 24 LEU HA A 24 LEU H 1.0 1.819 3.777 368 325 A 14 PRO HDx A 15 GLU H 1.0 1.819 3.777 369 326 A 10 ASP HA A 11 ASN H 1.0 1.967 4.993 370 326 A 8 PRO HA A 11 ASN H 1.0 1.967 4.993 371 327 A 19 LYS H A 16 LYS HA 1.0 1.782 3.580 372 327 A 19 LYS H A 19 LYS HA 1.0 1.782 3.580 373 328 A 26 LYS HA A 29 LYS H 1.0 1.803 3.685 374 328 A 29 LYS HA A 29 LYS H 1.0 1.803 3.685 375 329 A 28 GLN HGx A 24 LEU HDx% 1.0 1.987 5.365 376 329 A 28 GLN HGx A 24 LEU HDy% 1.0 1.987 5.365 377 330 A 8 PRO HDy A 17 LEU HDx% 1.0 1.999 5.905 378 330 A 17 LEU HDx% A 11 ASN HBy 1.0 1.999 5.905 379 331 A 13 THR HG2% A 11 ASN H 1.0 1.928 4.558 380 331 A 7 LYS H A 7 LYS HDx 1.0 1.928 4.558 381 332 A 24 LEU HDy% A 20 4PH H33% 1.0 2.320 3.370 382 332 A 24 LEU HDx% A 20 4PH H33% 1.0 2.320 3.370 383 333 A 11 ASN HD21 A 11 ASN HBx 1.0 1.954 4.838 384 333 A 11 ASN HD21 A 11 ASN HBy 1.0 1.954 4.838 385 334 A 8 PRO HDy A 8 PRO HGx 1.0 1.822 3.790 386 334 A 8 PRO HDy A 8 PRO HGy 1.0 1.822 3.790 387 335 A 8 PRO HBx A 8 PRO HGx 1.0 1.805 3.701 388 335 A 8 PRO HGy A 8 PRO HBx 1.0 1.805 3.701 389 336 A 13 THR HB A 16 LYS H 1.0 1.999 5.987 390 336 A 16 LYS H A 14 PRO HA 1.0 1.999 5.987 391 337 A 14 PRO HDy A 14 PRO HBy 1.0 1.992 5.494 392 337 A 14 PRO HDy A 14 PRO HBx 1.0 1.992 5.494 393 338 A 14 PRO HDx A 14 PRO HBy 1.0 1.946 4.742 394 338 A 14 PRO HDx A 14 PRO HBx 1.0 1.946 4.742 395 339 A 29 LYS HA A 29 LYS HBy 1.0 1.644 2.980 396 339 A 26 LYS HA A 26 LYS HBy 1.0 1.644 2.980 397 340 A 29 LYS HA A 29 LYS HBx 1.0 1.778 3.556 398 340 A 26 LYS HA A 29 LYS HBx 1.0 1.778 3.556 399 341 A 22 ALA H A 21 GLN HBy 1.0 1.885 4.193 400 341 A 22 ALA H A 21 GLN HBx 1.0 1.885 4.193 401 342 A 7 LYS HDy A 7 LYS HG2 1.0 1.662 3.050 402 342 A 7 LYS HDy A 7 LYS HG3 1.0 1.662 3.050 403 343 A 4 LYS HGy A 4 LYS HD2 1.0 1.709 3.241 404 343 A 4 LYS HGy A 4 LYS HD3 1.0 1.709 3.241 405 344 A 7 LYS HDx A 7 LYS HG2 1.0 1.725 3.311 406 344 A 7 LYS HDx A 7 LYS HG3 1.0 1.725 3.311 407 345 A 7 LYS HA A 7 LYS HG2 1.0 1.860 4.024 408 345 A 7 LYS HA A 7 LYS HG3 1.0 1.860 4.024 409 346 A 1 PRO HA A 1 PRO HGy 1.0 1.908 4.376 410 346 A 1 PRO HA A 1 PRO HBy 1.0 1.908 4.376 411 347 A 7 LYS HE3 A 7 LYS HG2 1.0 1.917 4.459 412 347 A 7 LYS HE3 A 7 LYS HG3 1.0 1.917 4.459 413 347 A 7 LYS HE2 A 7 LYS HG2 1.0 1.917 4.459 414 347 A 7 LYS HE2 A 7 LYS HG3 1.0 1.917 4.459 415 348 A 21 GLN HA A 21 GLN HBy 1.0 1.784 3.590 416 348 A 21 GLN HA A 21 GLN HBx 1.0 1.784 3.590 417 349 A 15 GLU HA A 14 PRO HBx 1.0 1.744 3.394 418 349 A 16 LYS HA A 19 LYS HBy 1.0 1.744 3.394 419 349 A 15 GLU HBx A 15 GLU HA 1.0 1.744 3.394 420 350 A 30 ASP HA A 33 ASP HBx 1.0 1.632 2.934 421 350 A 10 ASP HA A 10 ASP HBy 1.0 1.632 2.934 422 351 A 29 LYS HA A 29 LYS HBx 1.0 1.813 3.743 423 351 A 26 LYS HA A 29 LYS HBx 1.0 1.813 3.743 424 351 A 26 LYS HBx A 26 LYS HA 1.0 1.813 3.743 425 352 A 1 PRO HGx A 2 PRO HDy 1.0 1.981 5.249 426 352 A 1 PRO HBx A 2 PRO HDy 1.0 1.981 5.249 427 353 A 17 LEU HA A 18 ALA H 1.0 1.811 3.727 428 353 A 18 ALA H A 16 LYS HA 1.0 1.811 3.727 429 354 A 16 LYS H A 16 LYS HA 1.0 1.756 3.454 430 354 A 16 LYS H A 15 GLU HA 1.0 1.756 3.454 431 355 A 8 PRO HDx A 8 PRO HGx 1.0 1.762 3.480 432 355 A 8 PRO HDx A 8 PRO HGy 1.0 1.762 3.480 433 356 A 21 GLN HGx A 21 GLN HBx 1.0 1.707 3.229 434 356 A 21 GLN HGx A 21 GLN HBy 1.0 1.707 3.229 435 357 A 33 ASP HA A 33 ASP HBy 1.0 1.744 3.392 436 357 A 33 ASP HBx A 33 ASP HA 1.0 1.744 3.392 437 358 A 21 GLN HBy A 21 GLN HGy 1.0 1.867 4.071 438 358 A 21 GLN HBx A 21 GLN HGy 1.0 1.867 4.071 439 359 A 8 PRO HA A 8 PRO HGx 1.0 1.966 4.994 440 359 A 8 PRO HA A 8 PRO HGy 1.0 1.966 4.994 441 360 A 15 GLU H A 11 ASN HBy 1.0 3.099 6.949 442 360 A 11 ASN HBx A 15 GLU H 1.0 3.099 6.949 443 360 A 8 PRO HDy A 24 LEU H 1.0 3.099 6.949 444 360 A 4 LYS HA A 24 LEU H 1.0 3.099 6.949 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 2 PRO C A 3 THR N A 3 THR CA A 3 THR C 1.0 -100.00 -43.62 PHI 2 2 A 3 THR N A 3 THR CA A 3 THR C A 4 LYS N 1.0 110.00 179.08 PSI 3 3 A 4 LYS C A 5 PRO N A 5 PRO CA A 5 PRO C 1.0 -90.00 -38.42 PHI 4 4 A 5 PRO N A 5 PRO CA A 5 PRO C A 6 THR N 1.0 120.00 170.84 PSI 5 5 A 6 THR C A 7 LYS N A 7 LYS CA A 7 LYS C 1.0 -140.00 -17.62 PHI 6 6 A 7 LYS N A 7 LYS CA A 7 LYS C A 8 PRO N 1.0 90.00 211.36 PSI 7 7 A 8 PRO C A 9 GLY N A 9 GLY CA A 9 GLY C 1.0 -100.00 -27.88 PHI 8 8 A 9 GLY N A 9 GLY CA A 9 GLY C A 10 ASP N 1.0 -70.00 35.62 PSI 9 9 A 9 GLY C A 10 ASP N A 10 ASP CA A 10 ASP C 1.0 -100.00 -29.94 PHI 10 10 A 11 ASN N A 11 ASN CA A 11 ASN C A 12 ALA N 1.0 -66.50 7.50 PSI 11 11 A 11 ASN C A 12 ALA N A 12 ALA CA A 12 ALA C 1.0 -122.46 -48.46 PHI 12 12 A 12 ALA N A 12 ALA CA A 12 ALA C A 13 THR N 1.0 -50.00 24.12 PSI 13 13 A 14 PRO C A 15 GLU N A 15 GLU CA A 15 GLU C 1.0 -100.00 -32.24 PHI 14 14 A 15 GLU N A 15 GLU CA A 15 GLU C A 16 LYS N 1.0 -60.00 10.50 PSI 15 15 A 15 GLU C A 16 LYS N A 16 LYS CA A 16 LYS C 1.0 -90.00 -44.14 PHI 16 16 A 16 LYS N A 16 LYS CA A 16 LYS C A 17 LEU N 1.0 -70.00 12.64 PSI 17 17 A 16 LYS C A 17 LEU N A 17 LEU CA A 17 LEU C 1.0 -90.00 -39.52 PHI 18 18 A 17 LEU N A 17 LEU CA A 17 LEU C A 18 ALA N 1.0 -70.00 -6.48 PSI 19 19 A 17 LEU C A 18 ALA N A 18 ALA CA A 18 ALA C 1.0 -90.00 -43.06 PHI 20 20 A 18 ALA N A 18 ALA CA A 18 ALA C A 19 LYS N 1.0 -70.00 0.98 PSI 21 21 A 18 ALA C A 19 LYS N A 19 LYS CA A 19 LYS C 1.0 -90.00 -39.30 PHI 22 22 A 21 GLN N A 21 GLN CA A 21 GLN C A 22 ALA N 1.0 -70.00 7.14 PSI 23 23 A 21 GLN C A 22 ALA N A 22 ALA CA A 22 ALA C 1.0 -90.00 -45.58 PHI 24 24 A 22 ALA N A 22 ALA CA A 22 ALA C A 23 ASP N 1.0 -70.00 -6.44 PSI 25 25 A 22 ALA C A 23 ASP N A 23 ASP CA A 23 ASP C 1.0 -90.00 -38.10 PHI 26 26 A 23 ASP N A 23 ASP CA A 23 ASP C A 24 LEU N 1.0 -73.67 -3.67 PSI 27 27 A 23 ASP C A 24 LEU N A 24 LEU CA A 24 LEU C 1.0 -90.00 -36.98 PHI 28 28 A 24 LEU N A 24 LEU CA A 24 LEU C A 25 ALA N 1.0 -70.00 -16.18 PSI 29 29 A 24 LEU C A 25 ALA N A 25 ALA CA A 25 ALA C 1.0 -90.00 -32.28 PHI 30 30 A 25 ALA N A 25 ALA CA A 25 ALA C A 26 LYS N 1.0 -70.00 -18.68 PSI 31 31 A 25 ALA C A 26 LYS N A 26 LYS CA A 26 LYS C 1.0 -90.00 -36.30 PHI 32 32 A 28 GLN N A 28 GLN CA A 28 GLN C A 29 LYS N 1.0 -70.00 -10.04 PSI 33 33 A 28 GLN C A 29 LYS N A 29 LYS CA A 29 LYS C 1.0 -80.00 -49.08 PHI 34 34 A 29 LYS N A 29 LYS CA A 29 LYS C A 30 ASP N 1.0 -70.00 -19.86 PSI 35 35 A 29 LYS C A 30 ASP N A 30 ASP CA A 30 ASP C 1.0 -90.00 -39.78 PHI 36 36 A 30 ASP N A 30 ASP CA A 30 ASP C A 31 LEU N 1.0 -74.17 -14.17 PSI 37 37 A 30 ASP C A 31 LEU N A 31 LEU CA A 31 LEU C 1.0 -90.00 -39.60 PHI 38 38 A 31 LEU N A 31 LEU CA A 31 LEU C A 32 ALA N 1.0 -70.00 -17.62 PSI 39 39 A 31 LEU C A 32 ALA N A 32 ALA CA A 32 ALA C 1.0 -90.00 -39.30 PHI 40 40 A 32 ALA N A 32 ALA CA A 32 ALA C A 33 ASP N 1.0 -70.00 -15.70 PSI stop_ save_