data_nef_c30424_6cl3 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 6CL3 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 25 LEU C 1 26 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 ILE middle . . 3 A 2 TRP middle . . 4 A 3 LEU middle . . 5 A 4 THR middle . . 6 A 5 ALA middle . . 7 A 6 LEU middle . . 8 A 7 LYS middle . . 9 A 8 PHE middle . . 10 A 9 LEU middle . . 11 A 10 GLY middle . false 12 A 11 LYS middle . . 13 A 12 ASN middle . . 14 A 13 LEU middle . . 15 A 14 GLY middle . false 16 A 15 LYS middle . . 17 A 16 LEU middle . . 18 A 17 ALA middle . . 19 A 18 LYS middle . . 20 A 19 GLN middle . . 21 A 20 GLN middle . . 22 A 21 LEU middle . . 23 A 22 ALA middle . . 24 A 23 LYS middle . . 25 A 24 LEU middle -OXT . 26 A 25 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 1 ILE H H 1 7.665 . A 1 ILE HA H 1 3.954 . A 1 ILE HB H 1 1.985 . A 1 ILE CB C 13 38.438 . A 1 ILE CD1 C 13 22.513 . A 1 ILE N N 15 125.438 . A 2 TRP H H 1 7.284 . A 2 TRP HA H 1 4.528 . A 2 TRP HBx H 1 3.343 . A 2 TRP HBy H 1 3.451 . A 2 TRP HD1 H 1 7.213 . A 2 TRP HE1 H 1 9.814 . A 2 TRP HE3 H 1 7.559 . A 2 TRP HZ2 H 1 7.507 . A 2 TRP CA C 13 58.401 . A 2 TRP CB C 13 27.947 . A 2 TRP CD1 C 13 124.284 . A 2 TRP CE3 C 13 118.315 . A 2 TRP CZ2 C 13 112.654 . A 2 TRP N N 15 118.594 . A 2 TRP NE1 N 15 127.714 . A 3 LEU H H 1 7.017 . A 3 LEU HA H 1 4.079 . A 3 LEU HBx H 1 1.188 . A 3 LEU HBy H 1 1.470 . A 3 LEU HD11 H 1 0.871 . A 3 LEU HD12 H 1 0.823 . A 3 LEU HD13 H 1 0.871 . A 3 LEU HDy% H 1 0.822 . A 3 LEU HG H 1 1.179 . A 3 LEU CA C 13 57.603 . A 3 LEU CB C 13 41.645 . A 3 LEU CDy C 13 23.771 . A 3 LEU CDx C 13 23.126 . A 3 LEU CG C 13 26.929 . A 3 LEU N N 15 120.817 . A 4 THR H H 1 7.611 . A 4 THR HA H 1 4.247 . A 4 THR HB H 1 3.900 . A 4 THR HG1 H 1 1.309 . A 4 THR HG2% H 1 1.224 . A 4 THR CA C 13 69.003 . A 4 THR CB C 13 66.333 . A 4 THR CG2 C 13 21.392 . A 4 THR N N 15 113.394 . A 5 ALA H H 1 7.822 . A 5 ALA HA H 1 4.225 . A 5 ALA HB% H 1 1.599 . A 5 ALA CA C 13 55.379 . A 5 ALA CB C 13 17.577 . A 5 ALA N N 15 123.363 . A 6 LEU H H 1 7.955 . A 6 LEU HA H 1 4.226 . A 6 LEU HBx H 1 1.715 . A 6 LEU HBy H 1 1.963 . A 6 LEU HDx% H 1 1.052 . A 6 LEU HDy% H 1 0.985 . A 6 LEU CA C 13 58.180 . A 6 LEU CB C 13 41.893 . A 6 LEU CDy C 13 24.427 . A 6 LEU CDx C 13 22.879 . A 6 LEU N N 15 117.522 . A 7 LYS H H 1 8.137 . A 7 LYS HA H 1 4.110 . A 7 LYS HBx H 1 1.970 . A 7 LYS HBy H 1 2.028 . A 7 LYS HDx H 1 1.601 . A 7 LYS HDy H 1 1.727 . A 7 LYS HEy H 1 2.972 . A 7 LYS HGy H 1 1.438 . A 7 LYS CA C 13 59.662 . A 7 LYS CB C 13 32.269 . A 7 LYS CD C 13 29.659 . A 7 LYS CG C 13 27.421 . A 7 LYS N N 15 119.830 . A 8 PHE H H 1 8.280 . A 8 PHE HA H 1 4.314 . A 8 PHE HBx H 1 3.280 . A 8 PHE HBy H 1 3.344 . A 8 PHE HDx H 1 7.293 . A 8 PHE HEx H 1 7.360 . A 8 PHE CA C 13 61.381 . A 8 PHE CB C 13 39.192 . A 8 PHE CDx C 13 129.528 . A 8 PHE CEx C 13 129.500 . A 8 PHE N N 15 120.108 . A 9 LEU H H 1 8.778 . A 9 LEU HA H 1 4.314 . A 9 LEU HBx H 1 1.816 . A 9 LEU HBy H 1 1.977 . A 9 LEU HDx% H 1 1.010 . A 9 LEU CB C 13 41.967 . A 9 LEU CDy C 13 24.822 . A 9 LEU CDx C 13 23.154 . A 9 LEU CG C 13 27.186 . A 9 LEU N N 15 122.195 . A 10 GLY H H 1 8.591 . A 10 GLY HAx H 1 3.832 . A 10 GLY HAy H 1 3.988 . A 10 GLY CA C 13 47.318 . A 10 GLY N N 15 105.794 . A 11 LYS H H 1 8.281 . A 11 LYS HA H 1 4.207 . A 11 LYS HBy H 1 2.053 . A 11 LYS HDy H 1 2.014 . A 11 LYS HEy H 1 3.045 . A 11 LYS HGy H 1 1.680 . A 11 LYS HGx H 1 1.662 . A 11 LYS CA C 13 58.588 . A 11 LYS CB C 13 32.398 . A 11 LYS CD C 13 25.128 . A 11 LYS CG C 13 26.144 . A 11 LYS N N 15 121.480 . A 12 ASN H H 1 7.930 . A 12 ASN HA H 1 4.476 . A 12 ASN HBx H 1 2.582 . A 12 ASN HBy H 1 2.760 . A 12 ASN HD2y H 1 6.737 . A 12 ASN HD2x H 1 5.638 . A 12 ASN CA C 13 56.799 . A 12 ASN CB C 13 39.139 . A 12 ASN N N 15 117.834 . A 12 ASN ND2 N 15 111.405 . A 13 LEU H H 1 8.752 . A 13 LEU HA H 1 4.216 . A 13 LEU HBx H 1 1.602 . A 13 LEU HBy H 1 1.888 . A 13 LEU HDx% H 1 0.949 . A 13 LEU HDy% H 1 0.913 . A 13 LEU CA C 13 58.543 . A 13 LEU CB C 13 42.611 . A 13 LEU CG C 13 27.093 . A 13 LEU N N 15 121.285 . A 14 GLY H H 1 8.228 . A 14 GLY HAx H 1 3.878 . A 14 GLY HAy H 1 3.983 . A 14 GLY CA C 13 47.018 . A 14 GLY N N 15 105.421 . A 15 LYS H H 1 7.710 . A 15 LYS HA H 1 4.132 . A 15 LYS HBx H 1 1.998 . A 15 LYS HBy H 1 2.093 . A 15 LYS HDy H 1 2.063 . A 15 LYS HEy H 1 2.975 . A 15 LYS CA C 13 58.885 . A 15 LYS CB C 13 32.281 . A 15 LYS CD C 13 27.925 . A 15 LYS N N 15 120.867 . A 16 LEU H H 1 7.901 . A 16 LEU HA H 1 4.166 . A 16 LEU HBx H 1 1.769 . A 16 LEU HBy H 1 1.929 . A 16 LEU HDx% H 1 0.969 . A 16 LEU HDy% H 1 0.932 . A 16 LEU HG H 1 1.667 . A 16 LEU CA C 13 57.720 . A 16 LEU CB C 13 41.677 . A 16 LEU CDx C 13 23.558 . A 16 LEU CG C 13 26.987 . A 16 LEU N N 15 120.582 . A 17 ALA H H 1 8.496 . A 17 ALA HA H 1 4.129 . A 17 ALA HB1 H 1 1.550 . A 17 ALA HB2 H 1 1.550 . A 17 ALA HB3 H 1 1.616 . A 17 ALA CA C 13 55.501 . A 17 ALA CB C 13 17.966 . A 17 ALA N N 15 121.991 . A 18 LYS H H 1 8.063 . A 18 LYS HA H 1 4.006 . A 18 LYS HBx H 1 1.981 . A 18 LYS HBy H 1 2.021 . A 18 LYS HDy H 1 1.748 . A 18 LYS HEy H 1 2.981 . A 18 LYS HGy H 1 1.484 . A 18 LYS CA C 13 60.239 . A 18 LYS CB C 13 32.331 . A 18 LYS CG C 13 25.121 . A 18 LYS N N 15 116.803 . A 19 GLN H H 1 7.970 . A 19 GLN HA H 1 4.109 . A 19 GLN HBx H 1 2.247 . A 19 GLN HBy H 1 2.344 . A 19 GLN HE2y H 1 7.212 . A 19 GLN HE2x H 1 6.595 . A 19 GLN HGx H 1 2.449 . A 19 GLN HGy H 1 2.649 . A 19 GLN CA C 13 58.566 . A 19 GLN CB C 13 28.614 . A 19 GLN CG C 13 34.249 . A 19 GLN N N 15 117.288 . A 19 GLN NE2 N 15 108.733 . A 20 GLN H H 1 8.096 . A 20 GLN HA H 1 4.169 . A 20 GLN HBx H 1 2.222 . A 20 GLN HBy H 1 2.299 . A 20 GLN HE2y H 1 6.992 . A 20 GLN HE2x H 1 6.621 . A 20 GLN HGy H 1 2.496 . A 20 GLN CA C 13 58.571 . A 20 GLN CB C 13 28.593 . A 20 GLN CG C 13 33.821 . A 20 GLN N N 15 118.054 . A 20 GLN NE2 N 15 108.984 . A 21 LEU H H 1 8.300 . A 21 LEU HA H 1 4.158 . A 21 LEU HBx H 1 1.627 . A 21 LEU HBy H 1 1.897 . A 21 LEU HDx% H 1 0.933 . A 21 LEU CA C 13 58.344 . A 21 LEU CB C 13 41.727 . A 21 LEU CDx C 13 0.946 . A 21 LEU N N 15 119.639 . A 22 ALA H H 1 8.024 . A 22 ALA HA H 1 4.149 . A 22 ALA HB% H 1 1.550 . A 22 ALA CA C 13 57.074 . A 22 ALA CB C 13 17.634 . A 22 ALA N N 15 120.497 . A 23 LYS H H 1 7.652 . A 23 LYS HA H 1 4.203 . A 23 LYS HBy H 1 2.005 . A 23 LYS HDx H 1 1.685 . A 23 LYS HDy H 1 1.762 . A 23 LYS HEy H 1 3.033 . A 23 LYS HGy H 1 1.544 . A 23 LYS CA C 13 57.831 . A 23 LYS CB C 13 32.674 . A 23 LYS CD C 13 29.158 . A 23 LYS CE C 13 42.335 . A 23 LYS CG C 13 25.550 . A 23 LYS N N 15 116.067 . A 24 LEU H H 1 7.801 . A 24 LEU HA H 1 4.257 . A 24 LEU HBy H 1 1.911 . A 24 LEU HBx H 1 1.658 . A 24 LEU HDx% H 1 0.939 . A 24 LEU HDy% H 1 0.909 . A 24 LEU HG H 1 1.756 . A 24 LEU CA C 13 55.916 . A 24 LEU CB C 13 42.115 . A 24 LEU CG C 13 28.396 . A 24 LEU N N 15 119.865 . A 25 NH2 HNy H 1 7.241 . A 25 NH2 HNx H 1 6.784 . A 25 NH2 N N 15 103.733 . 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 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 ILE HA A 1 ILE HB 1.0 1.8 2.8 2 2 A 2 TRP HA A 2 TRP HBy 1.0 1.8 5.0 3 3 A 2 TRP HA A 2 TRP HBx 1.0 1.8 3.4 4 4 A 2 TRP HBy A 2 TRP HBx 1.0 1.8 5.0 5 5 A 2 TRP HA A 2 TRP HD1 1.0 1.8 5.0 6 6 A 2 TRP HBy A 2 TRP HD1 1.0 1.8 2.8 7 7 A 2 TRP HBx A 2 TRP HD1 1.0 1.8 5.0 8 8 A 2 TRP HD1 A 2 TRP HE1 1.0 1.8 2.8 9 9 A 2 TRP HA A 2 TRP HE3 1.0 1.8 3.4 10 10 A 2 TRP HA A 2 TRP HE3 1.0 1.8 3.4 11 11 A 2 TRP HBy A 2 TRP HE3 1.0 1.8 5.0 12 12 A 2 TRP HBx A 2 TRP HE3 1.0 1.8 2.8 13 13 A 2 TRP H A 2 TRP HA 1.0 1.8 5.0 14 14 A 2 TRP H A 2 TRP HBy 1.0 1.8 5.0 15 15 A 2 TRP H A 2 TRP HBx 1.0 1.8 5.0 16 16 A 2 TRP HE1 A 2 TRP HZ2 1.0 1.8 2.8 17 17 A 2 TRP HD1 A 3 LEU HA 1.0 1.8 5.0 18 18 A 2 TRP HE3 A 3 LEU HA 1.0 1.8 3.4 19 19 A 2 TRP HA A 3 LEU H 1.0 1.8 3.4 20 20 A 2 TRP HBy A 3 LEU H 1.0 1.8 3.4 21 21 A 2 TRP HBx A 3 LEU H 1.0 1.8 5.0 22 22 A 2 TRP H A 3 LEU H 1.0 1.8 2.8 23 23 A 3 LEU HA A 3 LEU HBy 1.0 1.8 2.8 24 24 A 3 LEU HA A 3 LEU HBx 1.0 1.8 2.8 25 25 A 3 LEU HBy A 3 LEU HBx 1.0 1.8 3.4 26 26 A 3 LEU HA A 3 LEU HD11 1.0 1.8 5.0 27 27 A 3 LEU HBy A 3 LEU HD11 1.0 1.8 3.4 28 28 A 3 LEU HBx A 3 LEU HD11 1.0 1.8 3.4 29 29 A 3 LEU HA A 3 LEU HDy% 1.0 1.8 5.0 30 30 A 3 LEU HBy A 3 LEU HDy% 1.0 1.8 3.4 31 31 A 3 LEU HBx A 3 LEU HDy% 1.0 1.8 2.8 32 32 A 3 LEU HD11 A 3 LEU HDy% 1.0 1.8 3.4 33 33 A 3 LEU HA A 3 LEU H 1.0 1.8 2.8 34 34 A 3 LEU H A 3 LEU HBy 1.0 1.8 3.4 35 35 A 3 LEU H A 3 LEU HBx 1.0 1.8 5.0 36 36 A 3 LEU H A 3 LEU HD11 1.0 1.8 5.0 37 37 A 2 TRP HA A 4 THR H 1.0 1.8 5.0 38 38 A 3 LEU HD11 A 4 THR H 1.0 1.8 2.8 39 39 A 3 LEU H A 4 THR H 1.0 1.8 5.0 40 40 A 4 THR HA A 4 THR HB 1.0 1.8 2.8 41 41 A 4 THR HA A 4 THR HG1 1.0 1.8 2.8 42 42 A 4 THR HA A 4 THR HG2% 1.0 1.8 2.8 43 43 A 4 THR H A 4 THR HA 1.0 1.8 5.0 44 44 A 4 THR H A 4 THR HB 1.0 1.8 2.8 45 45 A 4 THR H A 4 THR HG1 1.0 1.8 5.0 46 46 A 4 THR H A 4 THR HG2% 1.0 1.8 5.0 47 47 A 2 TRP HA A 5 ALA HB% 1.0 1.8 3.4 48 48 A 2 TRP HA A 5 ALA H 1.0 1.8 5.0 49 49 A 3 LEU H A 5 ALA H 1.0 1.8 5.0 50 50 A 4 THR HA A 5 ALA H 1.0 1.8 3.4 51 51 A 4 THR HG1 A 5 ALA H 1.0 1.8 3.4 52 52 A 4 THR H A 5 ALA H 1.0 1.8 3.4 53 53 A 5 ALA HB% A 5 ALA HA 1.0 1.8 2.8 54 54 A 5 ALA H A 5 ALA HA 1.0 1.8 3.4 55 55 A 5 ALA HB% A 5 ALA H 1.0 1.8 5.0 56 56 A 3 LEU HA A 6 LEU HBy 1.0 1.8 2.8 57 57 A 3 LEU HA A 6 LEU HBx 1.0 1.8 3.4 58 58 A 4 THR H A 6 LEU H 1.0 1.8 5.0 59 59 A 5 ALA HB% A 6 LEU H 1.0 1.8 5.0 60 60 A 5 ALA H A 6 LEU H 1.0 1.8 3.4 61 61 A 6 LEU HBy A 6 LEU HA 1.0 1.8 3.4 62 62 A 6 LEU HBx A 6 LEU HA 1.0 1.8 2.8 63 63 A 6 LEU HBy A 6 LEU HBx 1.0 1.8 2.8 64 64 A 6 LEU HA A 6 LEU HDx% 1.0 1.8 5.0 65 65 A 6 LEU HA A 6 LEU HDx% 1.0 1.8 5.0 66 66 A 6 LEU H A 6 LEU HA 1.0 1.8 2.8 67 67 A 6 LEU HBy A 6 LEU H 1.0 1.8 5.0 68 68 A 6 LEU HBx A 6 LEU H 1.0 1.8 2.8 69 69 A 6 LEU H A 6 LEU HDx% 1.0 1.8 5.0 70 70 A 6 LEU H A 6 LEU HDy% 1.0 1.8 5.0 71 71 A 4 THR HA A 7 LYS HBy 1.0 1.8 2.8 72 72 A 4 THR HA A 7 LYS H 1.0 1.8 5.0 73 73 A 5 ALA H A 7 LYS H 1.0 1.8 5.0 74 74 A 6 LEU HA A 7 LYS H 1.0 1.8 3.4 75 75 A 6 LEU H A 7 LYS H 1.0 1.8 3.4 76 76 A 7 LYS HBy A 7 LYS HA 1.0 1.8 3.4 77 77 A 7 LYS HA A 7 LYS HBx 1.0 1.8 5.0 78 78 A 7 LYS H A 7 LYS HA 1.0 1.8 5.0 79 79 A 7 LYS HBy A 7 LYS H 1.0 1.8 5.0 80 80 A 7 LYS H A 7 LYS HBx 1.0 1.8 5.0 81 81 A 7 LYS H A 7 LYS HDy 1.0 1.8 2.8 82 82 A 7 LYS H A 7 LYS HDx 1.0 1.8 5.0 83 83 A 7 LYS H A 7 LYS HGy 1.0 1.8 5.0 84 84 A 5 ALA HA A 8 PHE HBy 1.0 1.8 2.8 85 85 A 5 ALA HA A 8 PHE HBx 1.0 1.8 3.4 86 86 A 5 ALA HA A 8 PHE H 1.0 1.8 5.0 87 87 A 7 LYS HA A 8 PHE H 1.0 1.8 3.4 88 88 A 7 LYS HA A 8 PHE H 1.0 1.8 5.0 89 89 A 7 LYS H A 8 PHE H 1.0 1.8 2.8 90 90 A 8 PHE HBy A 8 PHE HA 1.0 1.8 5.0 91 91 A 8 PHE HBx A 8 PHE HA 1.0 1.8 5.0 92 92 A 8 PHE HBy A 8 PHE HBx 1.0 1.8 3.4 93 93 A 8 PHE HA A 8 PHE HDx 1.0 1.8 2.8 94 94 A 8 PHE HBy A 8 PHE HDx 1.0 1.8 2.8 95 95 A 8 PHE HBx A 8 PHE HDx 1.0 1.8 3.4 96 96 A 8 PHE H A 8 PHE HA 1.0 1.8 5.0 97 97 A 8 PHE HBy A 8 PHE H 1.0 1.8 5.0 98 98 A 8 PHE HBx A 8 PHE H 1.0 1.8 5.0 99 99 A 8 PHE H A 8 PHE HDx 1.0 1.8 5.0 100 100 A 6 LEU HA A 9 LEU HBy 1.0 1.8 5.0 101 101 A 6 LEU HA A 9 LEU HBx 1.0 1.8 2.8 102 102 A 6 LEU HA A 9 LEU H 1.0 1.8 5.0 103 103 A 7 LYS H A 9 LEU H 1.0 1.8 5.0 104 104 A 8 PHE HA A 9 LEU H 1.0 1.8 5.0 105 105 A 8 PHE HA A 9 LEU H 1.0 1.8 5.0 106 106 A 8 PHE HBy A 9 LEU H 1.0 1.8 5.0 107 107 A 8 PHE HBx A 9 LEU H 1.0 1.8 5.0 108 108 A 8 PHE HDx A 9 LEU H 1.0 1.8 3.4 109 109 A 8 PHE H A 9 LEU H 1.0 1.8 3.4 110 110 A 9 LEU HBy A 9 LEU HA 1.0 1.8 2.8 111 111 A 9 LEU HBx A 9 LEU HA 1.0 1.8 2.8 112 112 A 9 LEU HBy A 9 LEU HBx 1.0 1.8 3.4 113 113 A 9 LEU H A 9 LEU HA 1.0 1.8 5.0 114 114 A 9 LEU HBy A 9 LEU H 1.0 1.8 5.0 115 115 A 9 LEU HBx A 9 LEU H 1.0 1.8 5.0 116 116 A 9 LEU H A 9 LEU HDx% 1.0 1.8 5.0 117 117 A 6 LEU HA A 10 GLY H 1.0 1.8 3.4 118 118 A 7 LYS HA A 10 GLY H 1.0 1.8 2.8 119 119 A 9 LEU HA A 10 GLY H 1.0 1.8 5.0 120 120 A 9 LEU HBy A 10 GLY H 1.0 1.8 3.4 121 121 A 9 LEU HBx A 10 GLY H 1.0 1.8 3.4 122 122 A 9 LEU HDx% A 10 GLY H 1.0 1.8 5.0 123 123 A 9 LEU H A 10 GLY H 1.0 1.8 5.0 124 124 A 10 GLY HAy A 10 GLY HAx 1.0 1.8 5.0 125 125 A 10 GLY H A 10 GLY HAy 1.0 1.8 5.0 126 126 A 10 GLY H A 10 GLY HAx 1.0 1.8 5.0 127 127 A 7 LYS HA A 11 LYS H 1.0 1.8 5.0 128 128 A 8 PHE HDx A 11 LYS HA 1.0 1.8 5.0 129 129 A 8 PHE HA A 11 LYS HBy 1.0 1.8 3.4 130 130 A 8 PHE HA A 11 LYS HBx 1.0 1.8 5.0 131 131 A 8 PHE HA A 11 LYS H 1.0 1.8 2.8 132 132 A 10 GLY HAx A 11 LYS H 1.0 1.8 5.0 133 133 A 10 GLY H A 11 LYS H 1.0 1.8 3.4 134 134 A 11 LYS H A 11 LYS HA 1.0 1.8 3.4 135 135 A 11 LYS H A 11 LYS HBy 1.0 1.8 5.0 136 136 A 11 LYS H A 11 LYS HDy 1.0 1.8 2.8 137 137 A 9 LEU HA A 12 ASN HBy 1.0 1.8 2.8 138 138 A 9 LEU HA A 12 ASN HBx 1.0 1.8 3.4 139 139 A 9 LEU HA A 12 ASN H 1.0 1.8 5.0 140 140 A 11 LYS HA A 12 ASN H 1.0 1.8 3.4 141 141 A 11 LYS H A 12 ASN H 1.0 1.8 5.0 142 142 A 12 ASN HBy A 12 ASN HA 1.0 1.8 3.4 143 143 A 12 ASN HBx A 12 ASN HA 1.0 1.8 3.4 144 144 A 12 ASN HBy A 12 ASN HBx 1.0 1.8 5.0 145 145 A 12 ASN HA A 12 ASN HD2y 1.0 1.8 5.0 146 145 A 12 ASN HA A 12 ASN HD2x 1.0 1.8 5.0 147 146 A 12 ASN HBy A 12 ASN HD2y 1.0 1.8 3.4 148 146 A 12 ASN HBy A 12 ASN HD2x 1.0 1.8 3.4 149 147 A 12 ASN HBx A 12 ASN HD2y 1.0 1.8 3.4 150 147 A 12 ASN HBx A 12 ASN HD2x 1.0 1.8 3.4 151 148 A 12 ASN HBy A 12 ASN HD2x 1.0 1.8 5.0 152 149 A 12 ASN HBx A 12 ASN HD2x 1.0 1.8 3.4 153 150 A 12 ASN HD2x A 12 ASN HD2y 1.0 1.8 2.8 154 151 A 12 ASN H A 12 ASN HA 1.0 1.8 5.0 155 152 A 12 ASN HBy A 12 ASN H 1.0 1.8 5.0 156 153 A 12 ASN HBx A 12 ASN H 1.0 1.8 5.0 157 154 A 12 ASN H A 12 ASN HD2y 1.0 1.8 3.4 158 154 A 12 ASN H A 12 ASN HD2x 1.0 1.8 3.4 159 155 A 12 ASN H A 12 ASN HD2x 1.0 1.8 5.0 160 156 A 9 LEU HA A 13 LEU H 1.0 1.8 5.0 161 157 A 10 GLY HAy A 13 LEU HBy 1.0 1.8 2.8 162 158 A 10 GLY HAx A 13 LEU HBy 1.0 1.8 5.0 163 159 A 10 GLY HAx A 13 LEU HBy 1.0 1.8 3.4 164 160 A 10 GLY HAy A 13 LEU HBx 1.0 1.8 3.4 165 161 A 10 GLY HAx A 13 LEU HBx 1.0 1.8 5.0 166 162 A 10 GLY HAy A 13 LEU H 1.0 1.8 5.0 167 163 A 10 GLY HAx A 13 LEU H 1.0 1.8 5.0 168 164 A 12 ASN HA A 13 LEU H 1.0 1.8 5.0 169 165 A 12 ASN HBx A 13 LEU H 1.0 1.8 5.0 170 166 A 12 ASN HBx A 13 LEU H 1.0 1.8 3.4 171 167 A 12 ASN H A 13 LEU H 1.0 1.8 3.4 172 168 A 13 LEU HBy A 13 LEU HA 1.0 1.8 2.8 173 169 A 13 LEU HBx A 13 LEU HA 1.0 1.8 2.8 174 170 A 13 LEU HBy A 13 LEU HBx 1.0 1.8 2.8 175 171 A 13 LEU HA A 13 LEU HDx% 1.0 1.8 2.8 176 172 A 13 LEU H A 13 LEU HA 1.0 1.8 5.0 177 173 A 13 LEU H A 13 LEU HBy 1.0 1.8 5.0 178 174 A 13 LEU H A 13 LEU HBx 1.0 1.8 5.0 179 175 A 13 LEU H A 13 LEU HDx% 1.0 1.8 5.0 180 176 A 13 LEU HA A 14 GLY H 1.0 1.8 5.0 181 177 A 13 LEU HBy A 14 GLY H 1.0 1.8 2.8 182 178 A 13 LEU HBx A 14 GLY H 1.0 1.8 3.4 183 179 A 13 LEU H A 14 GLY H 1.0 1.8 3.4 184 180 A 14 GLY HAy A 14 GLY HAx 1.0 1.8 2.8 185 181 A 14 GLY H A 14 GLY HAy 1.0 1.8 5.0 186 182 A 14 GLY H A 14 GLY HAx 1.0 1.8 5.0 187 183 A 12 ASN HA A 15 LYS HBy 1.0 1.8 3.4 188 184 A 12 ASN HA A 15 LYS HBx 1.0 1.8 5.0 189 185 A 12 ASN HA A 15 LYS H 1.0 1.8 5.0 190 186 A 13 LEU H A 15 LYS H 1.0 1.8 5.0 191 187 A 14 GLY HAy A 15 LYS H 1.0 1.8 5.0 192 188 A 14 GLY HAx A 15 LYS H 1.0 1.8 5.0 193 189 A 14 GLY H A 15 LYS H 1.0 1.8 3.4 194 190 A 15 LYS HBy A 15 LYS HA 1.0 1.8 5.0 195 191 A 15 LYS HBy A 15 LYS HBx 1.0 1.8 5.0 196 192 A 15 LYS H A 15 LYS HA 1.0 1.8 5.0 197 193 A 15 LYS HBy A 15 LYS H 1.0 1.8 5.0 198 194 A 15 LYS HBx A 15 LYS H 1.0 1.8 5.0 199 195 A 13 LEU HA A 16 LEU HBy 1.0 1.8 5.0 200 196 A 13 LEU HA A 16 LEU HBx 1.0 1.8 2.8 201 197 A 13 LEU HA A 16 LEU H 1.0 1.8 5.0 202 198 A 15 LYS HBy A 16 LEU H 1.0 1.8 3.4 203 199 A 16 LEU H A 15 LYS HDy 1.0 1.8 3.4 204 200 A 15 LYS H A 16 LEU H 1.0 1.8 3.4 205 201 A 16 LEU HBy A 16 LEU HA 1.0 1.8 2.8 206 202 A 16 LEU HBx A 16 LEU HA 1.0 1.8 2.8 207 203 A 16 LEU HBy A 16 LEU HBx 1.0 1.8 3.4 208 204 A 16 LEU HA A 16 LEU HDx% 1.0 1.8 2.8 209 205 A 16 LEU HA A 16 LEU HDx% 1.0 1.8 3.4 210 206 A 16 LEU H A 16 LEU HA 1.0 1.8 5.0 211 207 A 16 LEU HBy A 16 LEU H 1.0 1.8 5.0 212 208 A 16 LEU HBx A 16 LEU H 1.0 1.8 5.0 213 209 A 16 LEU H A 16 LEU HDx% 1.0 1.8 5.0 214 210 A 14 GLY HAy A 17 ALA HB1 1.0 1.8 5.0 215 211 A 14 GLY HAx A 17 ALA HB1 1.0 1.8 5.0 216 212 A 14 GLY HAy A 17 ALA H 1.0 1.8 3.4 217 213 A 14 GLY HAx A 17 ALA H 1.0 1.8 3.4 218 214 A 15 LYS H A 17 ALA H 1.0 1.8 5.0 219 215 A 16 LEU HA A 17 ALA H 1.0 1.8 5.0 220 216 A 16 LEU HBy A 17 ALA H 1.0 1.8 3.4 221 217 A 16 LEU HBx A 17 ALA H 1.0 1.8 2.8 222 218 A 16 LEU H A 17 ALA H 1.0 1.8 3.4 223 219 A 17 ALA HB1 A 17 ALA HA 1.0 1.8 2.8 224 220 A 17 ALA H A 17 ALA HA 1.0 1.8 5.0 225 221 A 17 ALA HB1 A 17 ALA H 1.0 1.8 5.0 226 222 A 14 GLY HAx A 18 LYS H 1.0 1.8 5.0 227 223 A 15 LYS HA A 18 LYS HBy 1.0 1.8 5.0 228 224 A 17 ALA HA A 18 LYS H 1.0 1.8 5.0 229 225 A 17 ALA HA A 18 LYS H 1.0 1.8 3.4 230 226 A 17 ALA H A 18 LYS H 1.0 1.8 3.4 231 227 A 18 LYS HBy A 18 LYS HA 1.0 1.8 3.4 232 228 A 18 LYS H A 18 LYS HA 1.0 1.8 5.0 233 229 A 18 LYS H A 18 LYS HBy 1.0 1.8 2.8 234 230 A 18 LYS H A 18 LYS HDy 1.0 1.8 2.8 235 231 A 16 LEU HA A 19 GLN HBy 1.0 1.8 2.8 236 232 A 16 LEU HA A 19 GLN HBx 1.0 1.8 3.4 237 233 A 16 LEU HA A 19 GLN H 1.0 1.8 2.8 238 234 A 18 LYS HA A 19 GLN H 1.0 1.8 5.0 239 235 A 19 GLN HBy A 19 GLN HA 1.0 1.8 3.4 240 236 A 19 GLN HBx A 19 GLN HA 1.0 1.8 5.0 241 237 A 19 GLN HBy A 19 GLN HBx 1.0 1.8 2.8 242 238 A 19 GLN HE2y A 19 GLN HE2x 1.0 1.8 2.8 243 239 A 19 GLN HA A 19 GLN HGy 1.0 1.8 3.4 244 240 A 19 GLN HBy A 19 GLN HGy 1.0 1.8 3.4 245 241 A 19 GLN HBx A 19 GLN HGy 1.0 1.8 3.4 246 242 A 19 GLN HE2y A 19 GLN HGy 1.0 1.8 5.0 247 243 A 19 GLN HE2x A 19 GLN HGy 1.0 1.8 5.0 248 244 A 19 GLN HA A 19 GLN HGx 1.0 1.8 3.4 249 245 A 19 GLN HBy A 19 GLN HGx 1.0 1.8 3.4 250 246 A 19 GLN HBx A 19 GLN HGx 1.0 1.8 2.8 251 247 A 19 GLN HE2y A 19 GLN HGx 1.0 1.8 5.0 252 248 A 19 GLN HE2x A 19 GLN HGx 1.0 1.8 5.0 253 249 A 19 GLN HGy A 19 GLN HGx 1.0 1.8 2.8 254 250 A 19 GLN H A 19 GLN HA 1.0 1.8 5.0 255 251 A 19 GLN HBy A 19 GLN H 1.0 1.8 5.0 256 252 A 19 GLN HBy A 19 GLN H 1.0 1.8 5.0 257 253 A 19 GLN HBx A 19 GLN H 1.0 1.8 5.0 258 254 A 19 GLN H A 19 GLN HGy 1.0 1.8 5.0 259 255 A 19 GLN H A 19 GLN HGx 1.0 1.8 5.0 260 256 A 17 ALA HA A 20 GLN HBy 1.0 1.8 3.4 261 257 A 17 ALA HA A 20 GLN HBx 1.0 1.8 2.8 262 258 A 18 LYS HA A 20 GLN H 1.0 1.8 5.0 263 259 A 19 GLN HA A 20 GLN H 1.0 1.8 5.0 264 260 A 19 GLN H A 20 GLN H 1.0 1.8 2.8 265 261 A 20 GLN HBy A 20 GLN HA 1.0 1.8 5.0 266 262 A 20 GLN HBx A 20 GLN HA 1.0 1.8 5.0 267 263 A 20 GLN HBy A 20 GLN HBx 1.0 1.8 2.8 268 264 A 20 GLN HE2y A 20 GLN HE2x 1.0 1.8 2.8 269 265 A 20 GLN HA A 20 GLN HGy 1.0 1.8 2.8 270 266 A 20 GLN HBy A 20 GLN HGy 1.0 1.8 2.8 271 267 A 20 GLN HBx A 20 GLN HGy 1.0 1.8 2.8 272 268 A 20 GLN HE2y A 20 GLN HGy 1.0 1.8 2.8 273 269 A 20 GLN HE2x A 20 GLN HGy 1.0 1.8 5.0 274 270 A 20 GLN H A 20 GLN HA 1.0 1.8 3.4 275 271 A 20 GLN HBy A 20 GLN H 1.0 1.8 5.0 276 272 A 20 GLN HBx A 20 GLN H 1.0 1.8 5.0 277 273 A 20 GLN H A 20 GLN HGy 1.0 1.8 5.0 278 274 A 18 LYS HA A 21 LEU HBy 1.0 1.8 2.8 279 275 A 18 LYS HA A 21 LEU HBx 1.0 1.8 5.0 280 276 A 18 LYS HA A 21 LEU H 1.0 1.8 2.8 281 277 A 20 GLN HBy A 21 LEU H 1.0 1.8 5.0 282 278 A 20 GLN HBx A 21 LEU H 1.0 1.8 5.0 283 279 A 20 GLN HGy A 21 LEU H 1.0 1.8 5.0 284 280 A 20 GLN H A 21 LEU H 1.0 1.8 3.4 285 281 A 21 LEU HBx A 21 LEU HA 1.0 1.8 2.8 286 282 A 21 LEU HBy A 21 LEU HBx 1.0 1.8 3.4 287 283 A 21 LEU HA A 21 LEU HDx% 1.0 1.8 2.8 288 284 A 21 LEU H A 21 LEU HA 1.0 1.8 5.0 289 285 A 21 LEU HBy A 21 LEU H 1.0 1.8 5.0 290 286 A 21 LEU HBx A 21 LEU H 1.0 1.8 5.0 291 287 A 21 LEU H A 21 LEU HDx% 1.0 1.8 5.0 292 288 A 19 GLN HA A 22 ALA HB% 1.0 1.8 5.0 293 289 A 19 GLN HA A 22 ALA H 1.0 1.8 5.0 294 290 A 21 LEU HBy A 22 ALA H 1.0 1.8 2.8 295 291 A 21 LEU HBx A 22 ALA H 1.0 1.8 3.4 296 292 A 21 LEU H A 22 ALA H 1.0 1.8 3.4 297 293 A 22 ALA HB% A 22 ALA HA 1.0 1.8 2.8 298 294 A 22 ALA H A 22 ALA HA 1.0 1.8 5.0 299 295 A 22 ALA HB% A 22 ALA H 1.0 1.8 5.0 300 296 A 20 GLN HA A 23 LYS HBy 1.0 1.8 3.4 301 297 A 21 LEU H A 23 LYS H 1.0 1.8 5.0 302 298 A 22 ALA H A 23 LYS H 1.0 1.8 3.4 303 299 A 23 LYS HA A 23 LYS HDy 1.0 1.8 5.0 304 300 A 23 LYS HBy A 23 LYS HDy 1.0 1.8 2.8 305 301 A 23 LYS HA A 23 LYS HDx 1.0 1.8 5.0 306 302 A 23 LYS HBy A 23 LYS HDx 1.0 1.8 2.8 307 303 A 23 LYS HDy A 23 LYS HDx 1.0 1.8 3.4 308 304 A 23 LYS H A 23 LYS HA 1.0 1.8 2.8 309 305 A 23 LYS HBy A 23 LYS H 1.0 1.8 3.4 310 306 A 23 LYS H A 23 LYS HDy 1.0 1.8 5.0 311 307 A 23 LYS H A 23 LYS HDx 1.0 1.8 5.0 312 308 A 21 LEU HA A 24 LEU HBx 1.0 1.8 2.8 313 309 A 21 LEU HA A 24 LEU HBy 1.0 1.8 5.0 314 310 A 21 LEU HA A 24 LEU H 1.0 1.8 5.0 315 311 A 23 LYS HA A 24 LEU H 1.0 1.8 5.0 316 312 A 23 LYS HBy A 24 LEU H 1.0 1.8 5.0 317 313 A 23 LYS H A 24 LEU H 1.0 1.8 3.4 318 314 A 24 LEU HBx A 24 LEU HA 1.0 1.8 2.8 319 315 A 24 LEU HBy A 24 LEU HA 1.0 1.8 2.8 320 316 A 24 LEU HBy A 24 LEU HA 1.0 1.8 2.8 321 317 A 24 LEU HBx A 24 LEU HBy 1.0 1.8 3.4 322 318 A 24 LEU HA A 24 LEU HDx% 1.0 1.8 3.4 323 319 A 24 LEU H A 24 LEU HA 1.0 1.8 2.8 324 320 A 24 LEU HBx A 24 LEU H 1.0 1.8 5.0 325 321 A 24 LEU HBy A 24 LEU H 1.0 1.8 5.0 326 322 A 24 LEU H A 24 LEU HDx% 1.0 1.8 5.0 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 _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 1 ILE C A 2 TRP N A 2 TRP CA A 2 TRP C 1.0 -74.78 -55.88 PHI 2 2 A 2 TRP C A 3 LEU N A 3 LEU CA A 3 LEU C 1.0 -72.84 -59.84 PHI 3 3 A 3 LEU C A 4 THR N A 4 THR CA A 4 THR C 1.0 -68.00 -58.28 PHI 4 4 A 4 THR C A 5 ALA N A 5 ALA CA A 5 ALA C 1.0 -69.23 -52.53 PHI 5 5 A 5 ALA C A 6 LEU N A 6 LEU CA A 6 LEU C 1.0 -84.56 -53.54 PHI 6 6 A 6 LEU C A 7 LYS N A 7 LYS CA A 7 LYS C 1.0 -74.07 -55.83 PHI 7 7 A 7 LYS C A 8 PHE N A 8 PHE CA A 8 PHE C 1.0 -72.37 -56.31 PHI 8 8 A 8 PHE C A 9 LEU N A 9 LEU CA A 9 LEU C 1.0 -70.88 -58.80 PHI 9 9 A 9 LEU C A 10 GLY N A 10 GLY CA A 10 GLY C 1.0 -78.58 -44.84 PHI 10 10 A 10 GLY C A 11 LYS N A 11 LYS CA A 11 LYS C 1.0 -110.64 -27.20 PHI 11 11 A 11 LYS C A 12 ASN N A 12 ASN CA A 12 ASN C 1.0 -70.59 -55.47 PHI 12 12 A 12 ASN C A 13 LEU N A 13 LEU CA A 13 LEU C 1.0 -69.45 -57.87 PHI 13 13 A 13 LEU C A 14 GLY N A 14 GLY CA A 14 GLY C 1.0 -82.15 -45.01 PHI 14 14 A 14 GLY C A 15 LYS N A 15 LYS CA A 15 LYS C 1.0 -77.64 -49.24 PHI 15 15 A 15 LYS C A 16 LEU N A 16 LEU CA A 16 LEU C 1.0 -74.19 -53.31 PHI 16 16 A 16 LEU C A 17 ALA N A 17 ALA CA A 17 ALA C 1.0 -70.98 -54.46 PHI 17 17 A 17 ALA C A 18 LYS N A 18 LYS CA A 18 LYS C 1.0 -74.71 -49.65 PHI 18 18 A 18 LYS C A 19 GLN N A 19 GLN CA A 19 GLN C 1.0 -73.39 -55.33 PHI 19 19 A 19 GLN C A 20 GLN N A 20 GLN CA A 20 GLN C 1.0 -71.92 -58.20 PHI 20 20 A 20 GLN C A 21 LEU N A 21 LEU CA A 21 LEU C 1.0 -78.14 -51.94 PHI 21 21 A 21 LEU C A 22 ALA N A 22 ALA CA A 22 ALA C 1.0 -77.65 -43.99 PHI 22 22 A 22 ALA C A 23 LYS N A 23 LYS CA A 23 LYS C 1.0 -89.88 -40.96 PHI 23 23 A 2 TRP N A 2 TRP CA A 2 TRP C A 3 LEU N 1.0 -49.49 -0.83 PSI 24 24 A 3 LEU N A 3 LEU CA A 3 LEU C A 4 THR N 1.0 -54.72 -27.50 PSI 25 25 A 4 THR N A 4 THR CA A 4 THR C A 5 ALA N 1.0 -53.46 -30.82 PSI 26 26 A 5 ALA N A 5 ALA CA A 5 ALA C A 6 LEU N 1.0 -56.37 -35.05 PSI 27 27 A 6 LEU N A 6 LEU CA A 6 LEU C A 7 LYS N 1.0 -48.26 -27.98 PSI 28 28 A 7 LYS N A 7 LYS CA A 7 LYS C A 8 PHE N 1.0 -52.86 -27.50 PSI 29 29 A 8 PHE N A 8 PHE CA A 8 PHE C A 9 LEU N 1.0 -53.31 -27.05 PSI 30 30 A 9 LEU N A 9 LEU CA A 9 LEU C A 10 GLY N 1.0 -61.75 -19.03 PSI 31 31 A 10 GLY N A 10 GLY CA A 10 GLY C A 11 LYS N 1.0 -62.13 -23.93 PSI 32 32 A 11 LYS N A 11 LYS CA A 11 LYS C A 12 ASN N 1.0 -57.79 -16.55 PSI 33 33 A 12 ASN N A 12 ASN CA A 12 ASN C A 13 LEU N 1.0 -48.04 -33.96 PSI 34 34 A 13 LEU N A 13 LEU CA A 13 LEU C A 14 GLY N 1.0 -52.75 -34.13 PSI 35 35 A 14 GLY N A 14 GLY CA A 14 GLY C A 15 LYS N 1.0 -62.72 -24.58 PSI 36 36 A 15 LYS N A 15 LYS CA A 15 LYS C A 16 LEU N 1.0 -62.53 -16.53 PSI 37 37 A 16 LEU N A 16 LEU CA A 16 LEU C A 17 ALA N 1.0 -55.93 -18.55 PSI 38 38 A 17 ALA N A 17 ALA CA A 17 ALA C A 18 LYS N 1.0 -51.79 -26.41 PSI 39 39 A 18 LYS N A 18 LYS CA A 18 LYS C A 19 GLN N 1.0 -64.56 -16.88 PSI 40 40 A 19 GLN N A 19 GLN CA A 19 GLN C A 20 GLN N 1.0 -68.50 -6.96 PSI 41 41 A 20 GLN N A 20 GLN CA A 20 GLN C A 21 LEU N 1.0 -50.47 -28.43 PSI 42 42 A 21 LEU N A 21 LEU CA A 21 LEU C A 22 ALA N 1.0 -55.20 -27.00 PSI 43 43 A 22 ALA N A 22 ALA CA A 22 ALA C A 23 LYS N 1.0 -65.23 -16.31 PSI 44 44 A 23 LYS N A 23 LYS CA A 23 LYS C A 24 LEU N 1.0 -71.55 -2.53 PSI stop_ save_