data_nef_c25570_2n1p 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 2N1P stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly 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 HIS start . . 2 A 2 SER middle . . 3 A 3 VAL middle . . 4 A 4 SER middle . . 5 A 5 HIS middle . . 6 A 6 ALA middle . . 7 A 7 ARG middle . . 8 A 8 PRO middle . false 9 A 9 ARG middle . . 10 A 10 TRP middle . . 11 A 11 PHE middle . . 12 A 12 TRP middle . . 13 A 13 PHE middle . . 14 A 14 SER middle . . 15 A 15 LEU middle . . 16 A 16 LEU middle . . 17 A 17 LEU middle . . 18 A 18 LEU middle . . 19 A 19 ALA middle . . 20 A 20 ALA middle . . 21 A 21 GLY middle . false 22 A 22 VAL middle . . 23 A 23 GLY middle . false 24 A 24 ILE middle . . 25 A 25 TYR middle . . 26 A 26 LEU middle . . 27 A 27 LEU middle . . 28 A 28 PRO middle . false 29 A 29 ASN middle . . 30 A 30 ARG end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 HIS HA H 1 4.261 0.01 A 1 HIS HB2 H 1 3.246 0.005 A 1 HIS HB3 H 1 3.246 0.005 A 1 HIS HD2 H 1 7.368 0.01 A 1 HIS HE1 H 1 8.618 0.01 A 1 HIS CA C 13 55.309 0.1 A 1 HIS CB C 13 29.192 0.1 A 1 HIS CD2 C 13 122.325 0.1 A 1 HIS CE1 C 13 138.095 0.1 A 2 SER H H 1 8.406 0.001 A 2 SER HA H 1 4.552 0.001 A 2 SER HBy H 1 3.706 0.01 A 2 SER HBx H 1 3.672 0.01 A 2 SER CA C 13 58.308 0.1 A 2 SER CB C 13 64.680 0.008 A 2 SER N N 15 118.292 0.1 A 3 VAL H H 1 8.049 0.003 A 3 VAL HA H 1 4.171 0.001 A 3 VAL HB H 1 2.037 0.002 A 3 VAL HG1% H 1 0.790 0.01 A 3 VAL HG2% H 1 0.766 0.01 A 3 VAL CA C 13 62.309 0.1 A 3 VAL CB C 13 33.033 0.1 A 3 VAL CGy C 13 21.744 0.1 A 3 VAL CGx C 13 20.639 0.1 A 3 VAL N N 15 120.313 0.1 A 4 SER H H 1 8.172 0.001 A 4 SER HA H 1 4.228 0.002 A 4 SER HBy H 1 3.742 0.001 A 4 SER HBx H 1 3.671 0.01 A 4 SER CA C 13 59.230 0.1 A 4 SER CB C 13 64.237 0.007 A 4 SER N N 15 118.475 0.1 A 5 HIS H H 1 8.074 0.003 A 5 HIS HA H 1 4.595 0.001 A 5 HIS HBy H 1 3.213 0.001 A 5 HIS HBx H 1 3.037 0.001 A 5 HIS HD2 H 1 7.177 0.01 A 5 HIS HE1 H 1 8.410 0.01 A 5 HIS CA C 13 55.502 0.1 A 5 HIS CB C 13 28.866 0.003 A 5 HIS CD2 C 13 120.751 0.1 A 5 HIS CE1 C 13 136.729 0.1 A 5 HIS N N 15 119.435 0.1 A 6 ALA H H 1 8.141 0.004 A 6 ALA HA H 1 4.250 0.001 A 6 ALA HB% H 1 1.232 0.002 A 6 ALA CA C 13 53.201 0.1 A 6 ALA CB C 13 19.496 0.1 A 6 ALA N N 15 123.886 0.1 A 7 ARG H H 1 8.005 0.005 A 7 ARG HA H 1 4.299 0.002 A 7 ARG HBy H 1 1.816 0.002 A 7 ARG HBx H 1 1.692 0.01 A 7 ARG HD2 H 1 3.051 0.01 A 7 ARG HD3 H 1 3.051 0.01 A 7 ARG HE H 1 6.960 0.01 A 7 ARG CA C 13 55.179 0.1 A 7 ARG CB C 13 31.075 0.012 A 7 ARG CD C 13 43.855 0.1 A 7 ARG N N 15 115.319 0.1 A 8 PRO HA H 1 4.271 0.001 A 8 PRO HBy H 1 2.139 0.01 A 8 PRO HBx H 1 1.729 0.01 A 8 PRO HD2 H 1 3.470 0.010 A 8 PRO HD3 H 1 3.470 0.010 A 8 PRO HG2 H 1 1.900 0.01 A 8 PRO HG3 H 1 1.900 0.01 A 8 PRO CA C 13 64.761 0.1 A 8 PRO CB C 13 31.878 0.037 A 8 PRO CD C 13 51.183 0.1 A 8 PRO CG C 13 27.984 0.1 A 9 ARG H H 1 8.418 0.003 A 9 ARG HA H 1 3.978 0.001 A 9 ARG HBy H 1 1.913 0.008 A 9 ARG HBx H 1 1.805 0.001 A 9 ARG HD2 H 1 3.123 0.01 A 9 ARG HD3 H 1 3.123 0.01 A 9 ARG HE H 1 7.010 0.01 A 9 ARG HGy H 1 1.706 0.01 A 9 ARG HGx H 1 1.530 0.01 A 9 ARG CA C 13 60.525 0.1 A 9 ARG CB C 13 30.217 0.1 A 9 ARG CD C 13 44.339 0.1 A 10 TRP H H 1 7.449 0.004 A 10 TRP HA H 1 4.275 0.002 A 10 TRP HBx H 1 3.301 0.061 A 10 TRP HE3 H 1 7.218 0.01 A 10 TRP HH2 H 1 6.982 0.01 A 10 TRP HZ2 H 1 7.369 0.01 A 10 TRP HZ3 H 1 6.853 0.01 A 10 TRP CA C 13 59.269 0.1 A 10 TRP CE3 C 13 121.292 0.1 A 10 TRP CH2 C 13 124.534 0.1 A 10 TRP CZ2 C 13 115.019 0.1 A 10 TRP CZ3 C 13 121.554 0.1 A 10 TRP N N 15 112.718 0.1 A 11 PHE HBy H 1 2.842 0.01 A 11 PHE HBx H 1 2.795 0.01 A 11 PHE CB C 13 38.444 0.1 A 12 TRP HA H 1 4.269 0.002 A 12 TRP HBy H 1 3.160 0.001 A 12 TRP HBx H 1 2.936 0.001 A 12 TRP HE3 H 1 7.343 0.01 A 12 TRP HH2 H 1 7.054 0.01 A 12 TRP HZ2 H 1 7.427 0.01 A 12 TRP HZ3 H 1 6.805 0.01 A 12 TRP CE3 C 13 121.184 0.1 A 12 TRP CH2 C 13 124.740 0.1 A 12 TRP CZ2 C 13 115.344 0.1 A 12 TRP CZ3 C 13 121.633 0.1 A 13 PHE H H 1 7.954 0.027 A 13 PHE HA H 1 4.205 0.003 A 13 PHE HB2 H 1 3.045 0.002 A 13 PHE HB3 H 1 3.045 0.002 A 13 PHE HD1 H 1 7.065 0.01 A 13 PHE HD2 H 1 7.065 0.01 A 13 PHE CA C 13 61.211 0.1 A 13 PHE CB C 13 39.699 0.1 A 13 PHE CD1 C 13 131.359 0.1 A 13 PHE CD2 C 13 131.359 0.1 A 13 PHE N N 15 121.217 0.1 A 14 SER H H 1 7.990 0.020 A 14 SER HA H 1 3.882 0.005 A 14 SER HB2 H 1 3.692 0.001 A 14 SER HB3 H 1 3.692 0.001 A 14 SER CA C 13 63.844 0.1 A 14 SER CB C 13 63.332 0.1 A 14 SER N N 15 119.689 0.1 A 15 LEU H H 1 7.356 0.002 A 15 LEU HA H 1 3.769 0.003 A 15 LEU HBy H 1 1.527 0.003 A 15 LEU HBx H 1 1.333 0.003 A 15 LEU HD1% H 1 0.560 0.01 A 15 LEU HD2% H 1 0.532 0.01 A 15 LEU HG H 1 1.324 0.01 A 15 LEU CA C 13 58.314 0.1 A 15 LEU CB C 13 41.922 0.1 A 15 LEU CDx C 13 24.043 0.1 A 15 LEU CDy C 13 25.807 0.1 A 15 LEU CG C 13 26.997 0.1 A 15 LEU N N 15 120.731 0.1 A 16 LEU H H 1 7.596 0.005 A 16 LEU HA H 1 3.840 0.002 A 16 LEU HBy H 1 1.675 0.002 A 16 LEU HBx H 1 1.602 0.003 A 16 LEU HD1% H 1 0.766 0.01 A 16 LEU HD2% H 1 0.726 0.01 A 16 LEU HG H 1 1.612 0.01 A 16 LEU CA C 13 58.498 0.1 A 16 LEU CB C 13 41.934 0.012 A 16 LEU CDx C 13 24.778 0.1 A 16 LEU CDy C 13 25.010 0.1 A 16 LEU CG C 13 27.491 0.1 A 16 LEU N N 15 118.509 0.1 A 17 LEU H H 1 7.707 0.002 A 17 LEU HA H 1 3.752 0.003 A 17 LEU HBy H 1 1.572 0.001 A 17 LEU HBx H 1 1.360 0.003 A 17 LEU HD1% H 1 0.625 0.01 A 17 LEU HD2% H 1 0.598 0.01 A 17 LEU HG H 1 1.465 0.004 A 17 LEU CA C 13 58.432 0.1 A 17 LEU CB C 13 41.875 0.1 A 17 LEU CDy C 13 25.278 0.1 A 17 LEU CDx C 13 24.071 0.1 A 17 LEU CG C 13 27.162 0.1 A 17 LEU N N 15 117.930 0.1 A 18 LEU H H 1 7.891 0.001 A 18 LEU HA H 1 3.805 0.005 A 18 LEU HBy H 1 1.572 0.005 A 18 LEU HBx H 1 1.510 0.007 A 18 LEU HD1% H 1 0.661 0.01 A 18 LEU HD2% H 1 0.639 0.01 A 18 LEU HG H 1 1.542 0.01 A 18 LEU CA C 13 58.535 0.1 A 18 LEU CB C 13 42.110 0.1 A 18 LEU CDx C 13 24.734 0.1 A 18 LEU CDy C 13 24.734 0.1 A 18 LEU CG C 13 27.373 0.1 A 18 LEU N N 15 118.161 0.1 A 19 ALA H H 1 8.291 0.002 A 19 ALA HA H 1 3.699 0.004 A 19 ALA HB% H 1 1.266 0.003 A 19 ALA CA C 13 55.820 0.1 A 19 ALA CB C 13 18.112 0.1 A 19 ALA N N 15 119.879 0.1 A 20 ALA H H 1 8.374 0.004 A 20 ALA HA H 1 3.815 0.001 A 20 ALA HB% H 1 1.280 0.002 A 20 ALA CA C 13 55.525 0.1 A 20 ALA CB C 13 18.042 0.1 A 20 ALA N N 15 118.589 0.1 A 21 GLY H H 1 8.510 0.010 A 21 GLY HAy H 1 3.550 0.004 A 21 GLY HAx H 1 3.470 0.01 A 21 GLY CA C 13 48.257 0.012 A 21 GLY N N 15 105.030 0.1 A 22 VAL H H 1 8.465 0.003 A 22 VAL HA H 1 3.471 0.001 A 22 VAL HB H 1 2.103 0.003 A 22 VAL HG1% H 1 0.900 0.001 A 22 VAL HG2% H 1 0.804 0.007 A 22 VAL CA C 13 67.400 0.1 A 22 VAL CB C 13 31.779 0.1 A 22 VAL CGy C 13 23.666 0.1 A 22 VAL CGx C 13 22.426 0.1 A 22 VAL N N 15 121.301 0.1 A 23 GLY H H 1 8.571 0.001 A 23 GLY HA2 H 1 3.474 0.003 A 23 GLY HA3 H 1 3.474 0.003 A 23 GLY CA C 13 48.339 0.1 A 23 GLY N N 15 107.028 0.1 A 24 ILE H H 1 8.535 0.002 A 24 ILE HA H 1 3.554 0.003 A 24 ILE HB H 1 1.859 0.004 A 24 ILE HD1% H 1 0.704 0.01 A 24 ILE HG1y H 1 1.738 0.01 A 24 ILE HG1x H 1 0.992 0.01 A 24 ILE HG2% H 1 0.742 0.01 A 24 ILE CA C 13 65.057 0.1 A 24 ILE CB C 13 38.108 0.1 A 24 ILE CD1 C 13 13.768 0.1 A 24 ILE CG1 C 13 30.038 0.1 A 24 ILE CG2 C 13 17.963 0.1 A 24 ILE N N 15 119.763 0.1 A 25 TYR H H 1 8.074 0.007 A 25 TYR HA H 1 4.169 0.002 A 25 TYR HBy H 1 3.136 0.002 A 25 TYR HBx H 1 2.969 0.002 A 25 TYR HD1 H 1 6.889 0.01 A 25 TYR HD2 H 1 6.889 0.01 A 25 TYR HE1 H 1 6.654 0.01 A 25 TYR HE2 H 1 6.654 0.01 A 25 TYR CA C 13 61.643 0.1 A 25 TYR CB C 13 39.438 0.1 A 25 TYR CD1 C 13 133.222 0.1 A 25 TYR CD2 C 13 133.222 0.1 A 25 TYR CE1 C 13 118.457 0.1 A 25 TYR CE2 C 13 118.457 0.1 A 26 LEU H H 1 8.282 0.004 A 26 LEU HA H 1 3.927 0.01 A 26 LEU HBy H 1 1.930 0.001 A 26 LEU HBx H 1 1.833 0.002 A 26 LEU HD1% H 1 0.814 0.01 A 26 LEU HD2% H 1 0.809 0.01 A 26 LEU CA C 13 56.683 0.1 A 26 LEU CDx C 13 23.129 0.1 A 26 LEU CDy C 13 24.072 0.1 A 26 LEU N N 15 117.816 0.1 A 27 LEU H H 1 7.948 0.002 A 27 LEU HA H 1 4.171 0.005 A 27 LEU HBy H 1 1.800 0.007 A 27 LEU HBx H 1 1.500 0.001 A 27 LEU HD1% H 1 0.789 0.01 A 27 LEU HD2% H 1 0.776 0.01 A 27 LEU CA C 13 55.602 0.1 A 27 LEU CB C 13 41.068 0.018 A 27 LEU CDy C 13 26.847 0.1 A 27 LEU CDx C 13 26.069 0.1 A 27 LEU N N 15 115.292 0.1 A 28 PRO HA H 1 4.248 0.01 A 28 PRO HBy H 1 2.162 0.001 A 28 PRO HBx H 1 1.700 0.003 A 28 PRO HDy H 1 3.713 0.065 A 28 PRO HDx H 1 3.538 0.030 A 28 PRO HG2 H 1 1.924 0.01 A 28 PRO HG3 H 1 1.924 0.01 A 28 PRO CA C 13 64.901 0.1 A 28 PRO CB C 13 32.167 0.1 A 28 PRO CD C 13 51.242 0.012 A 28 PRO CG C 13 27.185 0.1 A 29 ASN H H 1 7.909 0.001 A 29 ASN HA H 1 4.681 0.006 A 29 ASN HBy H 1 2.741 0.001 A 29 ASN HBx H 1 2.651 0.001 A 29 ASN HD2y H 1 7.411 0.01 A 29 ASN HD2x H 1 6.801 0.01 A 29 ASN CA C 13 53.582 0.1 A 29 ASN CB C 13 39.534 0.019 A 29 ASN N N 15 114.088 0.1 A 29 ASN ND2 N 15 114.499 0.004 A 30 ARG H H 1 7.472 0.002 A 30 ARG HA H 1 4.365 0.01 A 30 ARG HBy H 1 1.822 0.01 A 30 ARG HBx H 1 1.675 0.01 A 30 ARG HDy H 1 3.099 0.01 A 30 ARG HDx H 1 2.990 0.01 A 30 ARG HE H 1 6.984 0.01 A 30 ARG HG2 H 1 1.532 0.01 A 30 ARG HG3 H 1 1.532 0.01 A 30 ARG CA C 13 54.893 0.1 A 30 ARG CB C 13 31.204 0.1 A 30 ARG CD C 13 43.671 0.018 A 30 ARG CG C 13 27.538 0.1 A 30 ARG N N 15 119.042 0.1 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 HIS HA A 2 SER H 1.0 1.8 3.1 2 2 A 2 SER H A 1 HIS HB2 1.0 1.8 4.1 3 2 A 2 SER H A 1 HIS HB3 1.0 1.8 4.1 4 3 A 2 SER H A 3 VAL H 1.0 1.8 3.1 5 4 A 3 VAL H A 2 SER HA 1.0 1.8 3.1 6 5 A 3 VAL H A 2 SER HBy 1.0 1.8 5.3 7 5 A 3 VAL H A 2 SER HBx 1.0 1.8 5.3 8 6 A 3 VAL H A 4 SER H 1.0 1.8 3.1 9 7 A 4 SER H A 3 VAL HA 1.0 1.8 3.1 10 8 A 4 SER H A 3 VAL HB 1.0 1.8 4.3 11 9 A 4 SER H A 3 VAL HG1% 1.0 1.8 7.9 12 9 A 4 SER H A 3 VAL HG2% 1.0 1.8 7.9 13 10 A 3 VAL HA A 6 ALA HB% 1.0 1.8 6.5 14 11 A 4 SER H A 5 HIS H 1.0 1.8 3.1 15 12 A 5 HIS H A 4 SER HA 1.0 1.8 3.1 16 13 A 5 HIS H A 4 SER HBy 1.0 1.8 4.3 17 14 A 5 HIS H A 4 SER HBx 1.0 1.8 3.1 18 15 A 5 HIS H A 6 ALA H 1.0 1.8 3.1 19 16 A 6 ALA H A 5 HIS HA 1.0 1.8 3.1 20 17 A 6 ALA H A 5 HIS HBx 1.0 1.8 4.3 21 18 A 6 ALA H A 5 HIS HBy 1.0 1.8 4.3 22 19 A 6 ALA H A 7 ARG H 1.0 1.8 3.1 23 20 A 7 ARG H A 6 ALA HA 1.0 1.8 3.1 24 21 A 6 ALA HB% A 7 ARG H 1.0 1.8 5.3 25 22 A 7 ARG H A 8 PRO HD2 1.0 1.8 6.5 26 22 A 7 ARG H A 8 PRO HD3 1.0 1.8 6.5 27 23 A 7 ARG HA A 8 PRO HD2 1.0 1.8 4.1 28 23 A 8 PRO HD3 A 7 ARG HA 1.0 1.8 4.1 29 24 A 7 ARG HBx A 8 PRO HD2 1.0 1.8 6.5 30 24 A 8 PRO HD3 A 7 ARG HBx 1.0 1.8 6.5 31 25 A 9 ARG H A 8 PRO HD2 1.0 1.8 5.3 32 25 A 8 PRO HD3 A 9 ARG H 1.0 1.8 5.3 33 26 A 9 ARG H A 10 TRP H 1.0 1.8 4.3 34 27 A 10 TRP H A 9 ARG HA 1.0 1.8 4.3 35 28 A 10 TRP H A 9 ARG HBy 1.0 1.8 4.3 36 29 A 10 TRP H A 9 ARG HBx 1.0 1.8 4.3 37 30 A 10 TRP H A 9 ARG HGx 1.0 1.8 5.5 38 31 A 10 TRP H A 9 ARG HGy 1.0 1.8 5.5 39 32 A 9 ARG HA A 12 TRP HBx 1.0 1.8 4.3 40 33 A 9 ARG HA A 12 TRP HBy 1.0 1.8 4.3 41 34 A 10 TRP HA A 13 PHE HB2 1.0 1.8 5.3 42 34 A 10 TRP HA A 13 PHE HB3 1.0 1.8 5.3 43 35 A 12 TRP HA A 13 PHE H 1.0 1.8 3.1 44 36 A 12 TRP HBx A 13 PHE H 1.0 1.8 4.3 45 37 A 12 TRP HBy A 13 PHE H 1.0 1.8 4.3 46 38 A 12 TRP HA A 15 LEU H 1.0 1.8 3.1 47 39 A 12 TRP HA A 15 LEU HBx 1.0 1.8 3.1 48 40 A 12 TRP HA A 15 LEU HBy 1.0 1.8 3.1 49 41 A 12 TRP HA A 16 LEU H 1.0 1.8 5.5 50 42 A 13 PHE HA A 14 SER H 1.0 1.8 3.1 51 43 A 14 SER H A 13 PHE HB2 1.0 1.8 4.1 52 43 A 13 PHE HB3 A 14 SER H 1.0 1.8 4.1 53 44 A 13 PHE H A 15 LEU H 1.0 1.8 5.5 54 45 A 15 LEU H A 13 PHE HA 1.0 1.8 5.5 55 46 A 16 LEU H A 13 PHE HA 1.0 1.8 4.3 56 47 A 13 PHE HA A 16 LEU HBx 1.0 1.8 3.1 57 48 A 13 PHE HA A 16 LEU HBy 1.0 1.8 3.1 58 49 A 13 PHE HA A 17 LEU H 1.0 1.8 5.5 59 50 A 15 LEU H A 14 SER H 1.0 1.8 3.1 60 51 A 15 LEU H A 14 SER HA 1.0 1.8 3.1 61 52 A 15 LEU H A 14 SER HB2 1.0 1.8 5.3 62 52 A 15 LEU H A 14 SER HB3 1.0 1.8 5.3 63 53 A 16 LEU H A 14 SER H 1.0 1.8 5.5 64 54 A 16 LEU H A 14 SER HA 1.0 1.8 5.5 65 55 A 17 LEU H A 14 SER HA 1.0 1.8 4.3 66 56 A 14 SER HA A 17 LEU HBx 1.0 1.8 3.1 67 57 A 14 SER HA A 17 LEU HBy 1.0 1.8 3.1 68 58 A 14 SER HA A 17 LEU HG 1.0 1.8 5.5 69 59 A 14 SER HA A 17 LEU HD1% 1.0 1.8 7.9 70 59 A 14 SER HA A 17 LEU HD2% 1.0 1.8 7.9 71 60 A 14 SER HA A 18 LEU H 1.0 1.8 5.5 72 61 A 15 LEU H A 16 LEU H 1.0 1.8 3.1 73 62 A 16 LEU H A 15 LEU HA 1.0 1.8 4.3 74 63 A 15 LEU HBx A 16 LEU H 1.0 1.8 4.3 75 64 A 15 LEU HBy A 16 LEU H 1.0 1.8 4.3 76 65 A 16 LEU H A 15 LEU HD1% 1.0 1.8 7.9 77 65 A 16 LEU H A 15 LEU HD2% 1.0 1.8 7.9 78 66 A 15 LEU H A 17 LEU H 1.0 1.8 5.5 79 67 A 15 LEU HA A 18 LEU HBy 1.0 1.8 3.1 80 68 A 15 LEU HA A 18 LEU HBx 1.0 1.8 3.1 81 69 A 15 LEU HA A 18 LEU HD1% 1.0 1.8 7.9 82 69 A 15 LEU HA A 18 LEU HD2% 1.0 1.8 7.9 83 70 A 15 LEU HA A 19 ALA H 1.0 1.8 5.5 84 71 A 16 LEU H A 17 LEU H 1.0 1.8 3.1 85 72 A 17 LEU H A 16 LEU HA 1.0 1.8 3.1 86 73 A 16 LEU HBx A 17 LEU H 1.0 1.8 4.3 87 74 A 16 LEU HBy A 17 LEU H 1.0 1.8 4.3 88 75 A 17 LEU H A 16 LEU HD1% 1.0 1.8 7.9 89 75 A 17 LEU H A 16 LEU HD2% 1.0 1.8 7.9 90 76 A 16 LEU H A 18 LEU H 1.0 1.8 5.5 91 77 A 18 LEU H A 16 LEU HA 1.0 1.8 5.5 92 78 A 19 ALA H A 16 LEU HA 1.0 1.8 3.1 93 79 A 16 LEU HA A 19 ALA HB% 1.0 1.8 4.1 94 80 A 16 LEU HA A 20 ALA H 1.0 1.8 5.5 95 81 A 17 LEU H A 18 LEU H 1.0 1.8 3.1 96 82 A 18 LEU H A 17 LEU HA 1.0 1.8 3.1 97 83 A 17 LEU HBy A 18 LEU H 1.0 1.8 4.3 98 84 A 18 LEU H A 17 LEU HD1% 1.0 1.8 7.9 99 84 A 17 LEU HD2% A 18 LEU H 1.0 1.8 7.9 100 85 A 17 LEU H A 19 ALA H 1.0 1.8 5.5 101 86 A 20 ALA H A 17 LEU HA 1.0 1.8 4.3 102 87 A 17 LEU HA A 20 ALA HB% 1.0 1.8 4.1 103 88 A 17 LEU HA A 21 GLY H 1.0 1.8 5.5 104 89 A 18 LEU H A 19 ALA H 1.0 1.8 3.1 105 90 A 19 ALA H A 18 LEU HA 1.0 1.8 3.1 106 91 A 18 LEU HBx A 19 ALA H 1.0 1.8 4.3 107 92 A 18 LEU HBy A 19 ALA H 1.0 1.8 4.3 108 93 A 18 LEU H A 20 ALA H 1.0 1.8 5.5 109 94 A 21 GLY H A 18 LEU HA 1.0 1.8 5.5 110 95 A 18 LEU HA A 22 VAL H 1.0 1.8 5.5 111 96 A 19 ALA H A 20 ALA H 1.0 1.8 3.1 112 97 A 20 ALA H A 19 ALA HA 1.0 1.8 4.3 113 98 A 19 ALA HB% A 20 ALA H 1.0 1.8 5.3 114 99 A 19 ALA H A 21 GLY H 1.0 1.8 5.5 115 100 A 21 GLY H A 19 ALA HA 1.0 1.8 5.5 116 101 A 22 VAL H A 19 ALA HA 1.0 1.8 4.3 117 102 A 19 ALA HA A 22 VAL HB 1.0 1.8 3.1 118 103 A 19 ALA HA A 22 VAL HG1% 1.0 1.8 6.5 119 104 A 19 ALA HA A 22 VAL HG2% 1.0 1.8 6.5 120 105 A 19 ALA HA A 23 GLY H 1.0 1.8 5.5 121 106 A 20 ALA H A 21 GLY H 1.0 1.8 3.1 122 107 A 21 GLY H A 20 ALA HA 1.0 1.8 5.5 123 108 A 20 ALA HB% A 21 GLY H 1.0 1.8 4.1 124 109 A 20 ALA H A 22 VAL H 1.0 1.8 5.5 125 110 A 22 VAL H A 20 ALA HA 1.0 1.8 5.5 126 111 A 23 GLY H A 20 ALA HA 1.0 1.8 4.3 127 112 A 22 VAL H A 21 GLY HAx 1.0 1.8 4.3 128 113 A 23 GLY H A 21 GLY HAx 1.0 1.8 5.5 129 114 A 21 GLY HAy A 24 ILE HB 1.0 1.8 3.1 130 115 A 22 VAL H A 23 GLY H 1.0 1.8 3.1 131 116 A 22 VAL HB A 23 GLY H 1.0 1.8 3.1 132 117 A 22 VAL HG1% A 23 GLY H 1.0 1.8 6.5 133 118 A 22 VAL HG2% A 23 GLY H 1.0 1.8 6.5 134 119 A 22 VAL HA A 24 ILE H 1.0 1.8 5.5 135 120 A 22 VAL HA A 25 TYR H 1.0 1.8 4.3 136 121 A 22 VAL HA A 25 TYR HBx 1.0 1.8 3.1 137 122 A 22 VAL HA A 25 TYR HBy 1.0 1.8 3.1 138 123 A 24 ILE H A 23 GLY HA2 1.0 1.8 5.3 139 123 A 24 ILE H A 23 GLY HA3 1.0 1.8 5.3 140 124 A 23 GLY H A 25 TYR H 1.0 1.8 5.5 141 125 A 26 LEU H A 23 GLY HA2 1.0 1.8 5.3 142 125 A 23 GLY HA3 A 26 LEU H 1.0 1.8 5.3 143 126 A 26 LEU HBx A 23 GLY HA2 1.0 1.8 6.5 144 126 A 23 GLY HA3 A 26 LEU HBx 1.0 1.8 6.5 145 127 A 26 LEU HBy A 23 GLY HA2 1.0 1.8 4.1 146 127 A 23 GLY HA3 A 26 LEU HBy 1.0 1.8 4.1 147 128 A 27 LEU H A 23 GLY HA2 1.0 1.8 6.5 148 128 A 23 GLY HA3 A 27 LEU H 1.0 1.8 6.5 149 129 A 24 ILE H A 25 TYR H 1.0 1.8 4.3 150 130 A 25 TYR H A 24 ILE HA 1.0 1.8 4.3 151 131 A 24 ILE HB A 25 TYR H 1.0 1.8 4.3 152 132 A 24 ILE H A 26 LEU H 1.0 1.8 5.5 153 133 A 26 LEU H A 24 ILE HA 1.0 1.8 5.5 154 134 A 27 LEU H A 24 ILE HA 1.0 1.8 5.5 155 135 A 24 ILE HA A 27 LEU HBx 1.0 1.8 3.1 156 136 A 24 ILE HA A 27 LEU HBy 1.0 1.8 4.3 157 137 A 25 TYR H A 26 LEU H 1.0 1.8 4.3 158 138 A 26 LEU H A 25 TYR HA 1.0 1.8 5.5 159 139 A 25 TYR HBy A 26 LEU H 1.0 1.8 5.5 160 140 A 25 TYR HBx A 26 LEU H 1.0 1.8 4.3 161 141 A 25 TYR H A 27 LEU H 1.0 1.8 5.5 162 142 A 25 TYR HA A 28 PRO HBx 1.0 1.8 5.5 163 143 A 25 TYR HA A 28 PRO HBy 1.0 1.8 4.3 164 144 A 26 LEU H A 27 LEU H 1.0 1.8 4.3 165 145 A 27 LEU H A 26 LEU HA 1.0 1.8 5.5 166 146 A 26 LEU HBy A 27 LEU H 1.0 1.8 3.1 167 147 A 26 LEU HBx A 27 LEU H 1.0 1.8 4.3 168 148 A 27 LEU H A 28 PRO HDx 1.0 1.8 4.3 169 149 A 27 LEU H A 28 PRO HDy 1.0 1.8 4.3 170 150 A 28 PRO HDx A 27 LEU HA 1.0 1.8 3.1 171 151 A 28 PRO HDy A 27 LEU HA 1.0 1.8 3.1 172 152 A 27 LEU HBx A 28 PRO HDx 1.0 1.8 5.5 173 153 A 27 LEU HBy A 28 PRO HDy 1.0 1.8 5.5 174 154 A 27 LEU HBx A 28 PRO HDy 1.0 1.8 5.5 175 155 A 27 LEU HBy A 28 PRO HDx 1.0 1.8 5.5 176 156 A 27 LEU HA A 29 ASN H 1.0 1.8 4.3 177 157 A 28 PRO HDx A 29 ASN H 1.0 1.8 3.1 178 158 A 28 PRO HDy A 29 ASN H 1.0 1.8 4.3 179 159 A 29 ASN H A 28 PRO HA 1.0 1.8 4.3 180 160 A 28 PRO HBx A 29 ASN H 1.0 1.8 5.5 181 161 A 28 PRO HBy A 29 ASN H 1.0 1.8 4.3 182 162 A 29 ASN H A 28 PRO HG3 1.0 1.8 4.3 183 163 A 29 ASN H A 28 PRO HG2 1.0 1.8 3.1 184 164 A 29 ASN H A 30 ARG H 1.0 1.8 4.3 185 165 A 30 ARG H A 29 ASN HA 1.0 1.8 4.3 186 166 A 30 ARG H A 29 ASN HBx 1.0 1.8 5.5 187 167 A 30 ARG H A 29 ASN HBy 1.0 1.8 5.5 188 168 A 9 ARG HA A 12 TRP HD1 1.0 1.8 3.1 189 169 A 9 ARG HA A 12 TRP HE1 1.0 1.8 5.5 190 170 A 13 PHE HD% A 15 LEU HD1% 1.0 1.8 9.9 191 170 A 15 LEU HD2% A 13 PHE HD% 1.0 1.8 9.9 192 171 A 13 PHE HD% A 16 LEU HD1% 1.0 1.8 7.5 193 171 A 16 LEU HD2% A 13 PHE HD% 1.0 1.8 7.5 194 172 A 13 PHE HD% A 17 LEU HD1% 1.0 1.8 7.5 195 172 A 17 LEU HD2% A 13 PHE HD% 1.0 1.8 7.5 196 173 A 13 PHE HB2 A 16 LEU HD1% 1.0 1.8 7.5 197 173 A 13 PHE HB3 A 16 LEU HD1% 1.0 1.8 7.5 198 174 A 13 PHE HB3 A 17 LEU HD1% 1.0 1.8 7.5 199 174 A 13 PHE HB2 A 17 LEU HD1% 1.0 1.8 7.5 200 175 A 25 TYR HD% A 26 LEU HD1% 1.0 1.8 7.5 201 175 A 25 TYR HD% A 26 LEU HD2% 1.0 1.8 7.5 202 176 A 25 TYR HE% A 26 LEU HD1% 1.0 1.8 8.7 203 176 A 26 LEU HD2% A 25 TYR HE% 1.0 1.8 8.7 204 177 A 28 PRO HG2 A 25 TYR HD% 1.0 1.8 5.1 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 12 TRP C A 13 PHE N A 13 PHE CA A 13 PHE C 1.0 -80.7 -40.7 PHI 2 2 A 13 PHE N A 13 PHE CA A 13 PHE C A 14 SER N 1.0 -60.3 -20.3 PSI 3 3 A 13 PHE C A 14 SER N A 14 SER CA A 14 SER C 1.0 -82.5 -42.5 PHI 4 4 A 14 SER N A 14 SER CA A 14 SER C A 15 LEU N 1.0 -63.8 -23.8 PSI 5 5 A 14 SER C A 15 LEU N A 15 LEU CA A 15 LEU C 1.0 -80.2 -40.2 PHI 6 6 A 15 LEU N A 15 LEU CA A 15 LEU C A 16 LEU N 1.0 -65.8 -25.8 PSI 7 7 A 15 LEU C A 16 LEU N A 16 LEU CA A 16 LEU C 1.0 -84.1 -44.1 PHI 8 8 A 16 LEU N A 16 LEU CA A 16 LEU C A 17 LEU N 1.0 -67.0 -27.0 PSI 9 9 A 16 LEU C A 17 LEU N A 17 LEU CA A 17 LEU C 1.0 -83.8 -43.8 PHI 10 10 A 17 LEU N A 17 LEU CA A 17 LEU C A 18 LEU N 1.0 -67.8 -27.8 PSI 11 11 A 17 LEU C A 18 LEU N A 18 LEU CA A 18 LEU C 1.0 -85.2 -45.2 PHI 12 12 A 18 LEU N A 18 LEU CA A 18 LEU C A 19 ALA N 1.0 -64.2 -24.2 PSI 13 13 A 18 LEU C A 19 ALA N A 19 ALA CA A 19 ALA C 1.0 -80.8 -40.8 PHI 14 14 A 19 ALA N A 19 ALA CA A 19 ALA C A 20 ALA N 1.0 -61.4 -21.4 PSI 15 15 A 19 ALA C A 20 ALA N A 20 ALA CA A 20 ALA C 1.0 -82.0 -42.0 PHI 16 16 A 20 ALA N A 20 ALA CA A 20 ALA C A 21 GLY N 1.0 -59.0 -19.0 PSI 17 17 A 20 ALA C A 21 GLY N A 21 GLY CA A 21 GLY C 1.0 -83.4 -43.4 PHI 18 18 A 21 GLY N A 21 GLY CA A 21 GLY C A 22 VAL N 1.0 -60.3 -20.3 PSI 19 19 A 21 GLY C A 22 VAL N A 22 VAL CA A 22 VAL C 1.0 -83.7 -43.7 PHI 20 20 A 22 VAL N A 22 VAL CA A 22 VAL C A 23 GLY N 1.0 -65.5 -25.5 PSI 21 21 A 22 VAL C A 23 GLY N A 23 GLY CA A 23 GLY C 1.0 -78.7 -38.7 PHI 22 22 A 23 GLY N A 23 GLY CA A 23 GLY C A 24 ILE N 1.0 -62.5 -22.5 PSI 23 23 A 23 GLY C A 24 ILE N A 24 ILE CA A 24 ILE C 1.0 -85.9 -45.9 PHI 24 24 A 24 ILE N A 24 ILE CA A 24 ILE C A 25 TYR N 1.0 -62.3 -22.3 PSI 25 25 A 24 ILE C A 25 TYR N A 25 TYR CA A 25 TYR C 1.0 -83.3 -43.3 PHI 26 26 A 25 TYR N A 25 TYR CA A 25 TYR C A 26 LEU N 1.0 -64.8 -22.6 PSI 27 27 A 25 TYR C A 26 LEU N A 26 LEU CA A 26 LEU C 1.0 -85.8 -45.8 PHI 28 28 A 26 LEU N A 26 LEU CA A 26 LEU C A 27 LEU N 1.0 -61.8 -5.6 PSI 29 29 A 28 PRO N A 28 PRO CA A 28 PRO C A 29 ASN N 1.0 -45.0 -5.0 PSI 30 30 A 28 PRO C A 29 ASN N A 29 ASN CA A 29 ASN C 1.0 -107.6 -48.8 PHI 31 31 A 29 ASN N A 29 ASN CA A 29 ASN C A 30 ARG N 1.0 -36.6 5.2 PSI stop_ save_