data_nef_c30219_5ua8 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 BMRB 30211 BMRB 30212 BMRB 30213 BMRB 30214 BMRB 30215 BMRB 30216 BMRB 30217 BMRB 30218 PDB 5UA8 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 1 GLY start . false 2 A 2 VAL middle . . 3 A 3 VAL middle . . 4 A 4 ASP middle . . 5 A 5 ILE middle . . 6 A 6 LEU middle . . 7 A 7 LYS middle . . 8 A 8 GLY middle . false 9 A 9 ALA middle . . 10 A 10 ALA middle . . 11 A 11 LYS middle . . 12 A 12 ASP middle . . 13 A 13 ILE middle . . 14 A 14 ALA middle . . 15 A 15 GLY middle . false 16 A 16 HIS middle . . 17 A 17 LEU middle . . 18 A 18 ALA middle . . 19 A 19 SER middle . . 20 A 20 LYS middle . . 21 A 21 VAL middle . . 22 A 22 MET middle . . 23 A 23 ASN middle . . 24 A 24 LYS middle . . 25 A 25 LEU middle -OXT . 26 A 26 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 GLY HAx H 1 4.041 . A 1 GLY HAy H 1 4.135 . A 1 GLY CA C 13 43.875 . A 2 VAL H H 1 8.666 . A 2 VAL HA H 1 3.811 . A 2 VAL HB H 1 2.179 . A 2 VAL HGx% H 1 1.093 . A 2 VAL HGy% H 1 0.998 . A 2 VAL CA C 13 66.180 . A 2 VAL CB C 13 32.268 . A 2 VAL CGy C 13 22.299 . A 2 VAL CGx C 13 21.363 . A 2 VAL N N 15 120.553 . A 3 VAL H H 1 8.161 . A 3 VAL HA H 1 3.633 . A 3 VAL HB H 1 2.141 . A 3 VAL HGx% H 1 1.081 . A 3 VAL HGy% H 1 0.991 . A 3 VAL CA C 13 67.266 . A 3 VAL CB C 13 31.244 . A 3 VAL CGy C 13 23.361 . A 3 VAL CGx C 13 21.697 . A 3 VAL N N 15 118.852 . A 4 ASP H H 1 7.685 . A 4 ASP HA H 1 4.410 . A 4 ASP HBy H 1 2.932 . A 4 ASP CB C 13 38.704 . A 4 ASP N N 15 118.973 . A 5 ILE H H 1 7.614 . A 5 ILE HA H 1 3.933 . A 5 ILE HB H 1 2.055 . A 5 ILE HD1% H 1 0.948 . A 5 ILE HG1x H 1 1.300 . A 5 ILE HG1y H 1 1.689 . A 5 ILE HG2% H 1 0.891 . A 5 ILE CA C 13 64.226 . A 5 ILE CB C 13 38.033 . A 5 ILE CD1 C 13 17.709 . A 5 ILE CG1 C 13 28.695 . A 5 ILE CG2 C 13 13.145 . A 5 ILE N N 15 120.629 . A 6 LEU H H 1 8.005 . A 6 LEU HA H 1 4.058 . A 6 LEU HBx H 1 1.555 . A 6 LEU HBy H 1 1.925 . A 6 LEU HDx% H 1 0.884 . A 6 LEU HDy% H 1 0.838 . A 6 LEU HG H 1 1.882 . A 6 LEU CA C 13 58.089 . A 6 LEU CB C 13 42.063 . A 6 LEU CDx C 13 23.304 . A 6 LEU CDy C 13 23.304 . A 6 LEU CG C 13 27.000 . A 6 LEU N N 15 119.815 . A 7 LYS H H 1 8.331 . A 7 LYS HA H 1 3.876 . A 7 LYS HBy H 1 1.920 . A 7 LYS HDy H 1 1.704 . A 7 LYS HEy H 1 2.935 . A 7 LYS HGx H 1 1.346 . A 7 LYS HGy H 1 1.698 . A 7 LYS CA C 13 60.752 . A 7 LYS CB C 13 32.712 . A 7 LYS CD C 13 29.443 . A 7 LYS CE C 13 42.364 . A 7 LYS CG C 13 26.248 . A 7 LYS N N 15 117.669 . A 8 GLY H H 1 7.876 . A 8 GLY HAx H 1 3.860 . A 8 GLY HAy H 1 3.941 . A 8 GLY CA C 13 47.183 . A 8 GLY N N 15 105.996 . A 9 ALA H H 1 8.260 . A 9 ALA HA H 1 4.241 . A 9 ALA HB% H 1 1.510 . A 9 ALA CA C 13 54.833 . A 9 ALA CB C 13 18.715 . A 9 ALA N N 15 124.122 . A 10 ALA H H 1 8.358 . A 10 ALA HA H 1 3.954 . A 10 ALA HB% H 1 1.514 . A 10 ALA CA C 13 55.824 . A 10 ALA CB C 13 18.325 . A 10 ALA N N 15 119.831 . A 11 LYS H H 1 8.043 . A 11 LYS HA H 1 3.912 . A 11 LYS HBy H 1 1.965 . A 11 LYS HEy H 1 3.009 . A 11 LYS HGx H 1 1.468 . A 11 LYS HGy H 1 1.619 . A 11 LYS CA C 13 60.244 . A 11 LYS CB C 13 32.124 . A 11 LYS CE C 13 42.254 . A 11 LYS CG C 13 25.645 . A 11 LYS N N 15 116.712 . A 12 ASP H H 1 7.972 . A 12 ASP HA H 1 4.538 . A 12 ASP HBx H 1 2.974 . A 12 ASP HBy H 1 3.141 . A 12 ASP CB C 13 37.797 . A 12 ASP N N 15 117.853 . A 13 ILE H H 1 8.402 . A 13 ILE HA H 1 3.770 . A 13 ILE HB H 1 1.985 . A 13 ILE HD1% H 1 0.945 . A 13 ILE HG1x H 1 1.168 . A 13 ILE HG1y H 1 1.816 . A 13 ILE HG2% H 1 0.846 . A 13 ILE CA C 13 65.153 . A 13 ILE CB C 13 38.468 . A 13 ILE CD1 C 13 17.709 . A 13 ILE CG1 C 13 29.202 . A 13 ILE CG2 C 13 13.570 . A 13 ILE N N 15 120.408 . A 14 ALA H H 1 8.508 . A 14 ALA HA H 1 3.990 . A 14 ALA HB% H 1 1.527 . A 14 ALA CA C 13 55.838 . A 14 ALA CB C 13 18.455 . A 14 ALA N N 15 122.503 . A 15 GLY H H 1 8.333 . A 15 GLY HAx H 1 3.859 . A 15 GLY HAy H 1 4.058 . A 15 GLY CA C 13 47.324 . A 16 HIS H H 1 7.927 . A 16 HIS HA H 1 4.541 . A 16 HIS HBy H 1 3.396 . A 16 HIS HD2 H 1 7.372 . A 16 HIS CA C 13 55.832 . A 16 HIS CB C 13 28.542 . A 16 HIS N N 15 119.243 . A 17 LEU H H 1 8.366 . A 17 LEU HA H 1 4.158 . A 17 LEU HBx H 1 1.615 . A 17 LEU HBy H 1 1.882 . A 17 LEU HDx% H 1 0.906 . A 17 LEU HDy% H 1 0.846 . A 17 LEU HG H 1 1.845 . A 17 LEU CA C 13 57.921 . A 17 LEU CB C 13 42.299 . A 17 LEU CDy C 13 23.952 . A 17 LEU CDx C 13 23.304 . A 17 LEU CG C 13 27.211 . A 17 LEU N N 15 120.296 . A 18 ALA H H 1 8.564 . A 18 ALA HA H 1 3.948 . A 18 ALA HB% H 1 1.529 . A 18 ALA CA C 13 55.832 . A 18 ALA CB C 13 18.585 . A 18 ALA N N 15 120.788 . A 19 SER H H 1 7.855 . A 19 SER HA H 1 4.174 . A 19 SER HBy H 1 3.983 . A 19 SER CA C 13 61.749 . A 19 SER CB C 13 63.175 . A 19 SER N N 15 111.289 . A 20 LYS H H 1 7.624 . A 20 LYS HA H 1 4.156 . A 20 LYS HBx H 1 1.957 . A 20 LYS HBy H 1 2.043 . A 20 LYS HDy H 1 1.717 . A 20 LYS HEy H 1 3.014 . A 20 LYS HGx H 1 1.513 . A 20 LYS HGy H 1 1.580 . A 20 LYS CA C 13 59.186 . A 20 LYS CB C 13 32.586 . A 20 LYS CD C 13 29.003 . A 20 LYS CE C 13 42.463 . A 20 LYS CG C 13 25.161 . A 20 LYS N N 15 121.247 . A 21 VAL H H 1 7.971 . A 21 VAL HA H 1 3.665 . A 21 VAL HB H 1 2.199 . A 21 VAL HGx% H 1 1.045 . A 21 VAL HGy% H 1 0.949 . A 21 VAL CA C 13 66.504 . A 21 VAL CB C 13 32.080 . A 21 VAL CGy C 13 22.930 . A 21 VAL CGx C 13 21.846 . A 21 VAL N N 15 118.564 . A 22 MET H H 1 8.310 . A 22 MET HA H 1 4.212 . A 22 MET HBx H 1 2.139 . A 22 MET HBy H 1 2.197 . A 22 MET HGx H 1 2.600 . A 22 MET HGy H 1 2.724 . A 22 MET CA C 13 58.414 . A 22 MET CB C 13 31.994 . A 22 MET CG C 13 32.765 . A 22 MET N N 15 117.790 . A 23 ASN H H 1 7.928 . A 23 ASN HA H 1 4.517 . A 23 ASN HBx H 1 2.835 . A 23 ASN HBy H 1 2.927 . A 23 ASN HD2y H 1 7.513 . A 23 ASN HD2x H 1 6.796 . A 23 ASN CB C 13 39.047 . A 23 ASN N N 15 116.684 . A 23 ASN ND2 N 15 112.276 . A 24 LYS H H 1 7.694 . A 24 LYS HA H 1 4.250 . A 24 LYS HBy H 1 1.984 . A 24 LYS HDy H 1 1.769 . A 24 LYS HEy H 1 3.009 . A 24 LYS HGy H 1 1.517 . A 24 LYS CA C 13 57.616 . A 24 LYS CB C 13 32.985 . A 24 LYS CD C 13 29.457 . A 24 LYS CE C 13 42.744 . A 24 LYS CG C 13 24.790 . A 24 LYS N N 15 118.966 . A 25 LEU H H 1 7.771 . A 25 LEU HA H 1 4.219 . A 25 LEU HBx H 1 1.627 . A 25 LEU HBy H 1 1.766 . A 25 LEU HDx% H 1 0.905 . A 25 LEU HDy% H 1 0.878 . A 25 LEU HG H 1 1.802 . A 25 LEU CA C 13 55.930 . A 25 LEU CB C 13 42.968 . A 25 LEU CDy C 13 24.045 . A 25 LEU CDx C 13 23.308 . A 25 LEU CG C 13 27.309 . A 25 LEU N N 15 118.786 . 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 GLY HAx A 1 GLY HAy 1.0 1.8 3.4 2 2 A 1 GLY HAx A 1 GLY HAy 1.0 1.8 2.8 3 3 A 2 VAL HB A 2 VAL HA 1.0 1.8 3.4 4 4 A 2 VAL HB A 2 VAL HA 1.0 1.8 3.4 5 5 A 2 VAL HA A 2 VAL HGx% 1.0 1.8 5.5 6 6 A 2 VAL HA A 2 VAL HGx% 1.0 1.8 5.5 7 7 A 2 VAL HB A 2 VAL HGx% 1.0 1.8 5.5 8 8 A 2 VAL HA A 2 VAL HGy% 1.0 1.8 5.5 9 9 A 2 VAL HA A 2 VAL HGy% 1.0 1.8 5.5 10 10 A 2 VAL HB A 2 VAL HGy% 1.0 1.8 5.5 11 11 A 2 VAL HA A 2 VAL H 1.0 1.8 5.5 12 12 A 2 VAL HA A 2 VAL H 1.0 1.8 5.5 13 13 A 2 VAL HB A 2 VAL H 1.0 1.8 3.4 14 14 A 2 VAL HB A 2 VAL H 1.0 1.8 3.4 15 15 A 2 VAL HGx% A 2 VAL H 1.0 1.8 5.5 16 16 A 2 VAL HGx% A 2 VAL H 1.0 1.8 5.5 17 17 A 2 VAL HGy% A 2 VAL H 1.0 1.8 5.5 18 18 A 2 VAL HGy% A 2 VAL H 1.0 1.8 5.5 19 19 A 3 VAL HB A 3 VAL HA 1.0 1.8 3.4 20 20 A 3 VAL HB A 3 VAL HA 1.0 1.8 3.4 21 21 A 3 VAL HA A 3 VAL HGx% 1.0 1.8 5.5 22 22 A 3 VAL HA A 3 VAL HGx% 1.0 1.8 5.5 23 23 A 3 VAL HB A 3 VAL HGx% 1.0 1.8 5.5 24 24 A 3 VAL HB A 3 VAL HGx% 1.0 1.8 3.4 25 25 A 3 VAL HA A 3 VAL HGy% 1.0 1.8 5.5 26 26 A 3 VAL HA A 3 VAL HGy% 1.0 1.8 5.5 27 27 A 3 VAL HB A 3 VAL HGy% 1.0 1.8 3.4 28 28 A 3 VAL HA A 3 VAL H 1.0 1.8 3.4 29 29 A 3 VAL HA A 3 VAL H 1.0 1.8 3.4 30 30 A 3 VAL HB A 3 VAL H 1.0 1.8 2.8 31 31 A 3 VAL HB A 3 VAL H 1.0 1.8 2.8 32 32 A 3 VAL HGx% A 3 VAL H 1.0 1.8 5.5 33 33 A 3 VAL HGx% A 3 VAL H 1.0 1.8 5.5 34 34 A 3 VAL HGy% A 3 VAL H 1.0 1.8 5.5 35 35 A 3 VAL HGy% A 3 VAL H 1.0 1.8 5.5 36 36 A 4 ASP HBy A 4 ASP HA 1.0 1.8 2.8 37 37 A 4 ASP HA A 4 ASP H 1.0 1.8 2.8 38 38 A 4 ASP HBy A 4 ASP H 1.0 1.8 2.8 39 39 A 4 ASP HBy A 4 ASP H 1.0 1.8 3.4 40 40 A 5 ILE HB A 5 ILE HA 1.0 1.8 3.4 41 41 A 5 ILE HB A 5 ILE HA 1.0 1.8 5.5 42 42 A 5 ILE HA A 5 ILE HD1% 1.0 1.8 5.5 43 43 A 5 ILE HA A 5 ILE HD1% 1.0 1.8 3.4 44 44 A 5 ILE HB A 5 ILE HD1% 1.0 1.8 3.4 45 45 A 5 ILE HB A 5 ILE HD1% 1.0 1.8 5.5 46 46 A 5 ILE HA A 5 ILE HG1y 1.0 1.8 5.5 47 47 A 5 ILE HA A 5 ILE HG1y 1.0 1.8 5.5 48 48 A 5 ILE HB A 5 ILE HG1y 1.0 1.8 3.4 49 49 A 5 ILE HD1% A 5 ILE HG1y 1.0 1.8 5.5 50 50 A 5 ILE HA A 5 ILE HG1x 1.0 1.8 3.4 51 51 A 5 ILE HA A 5 ILE HG1x 1.0 1.8 3.4 52 52 A 5 ILE HB A 5 ILE HG1x 1.0 1.8 5.5 53 53 A 5 ILE HD1% A 5 ILE HG1x 1.0 1.8 5.5 54 54 A 5 ILE HG1y A 5 ILE HG1x 1.0 1.8 2.8 55 55 A 5 ILE HG1y A 5 ILE HG1x 1.0 1.8 2.8 56 56 A 5 ILE HA A 5 ILE HG2% 1.0 1.8 5.5 57 57 A 5 ILE HA A 5 ILE HG2% 1.0 1.8 5.5 58 58 A 5 ILE HB A 5 ILE HG2% 1.0 1.8 5.5 59 59 A 5 ILE HB A 5 ILE HG2% 1.0 1.8 5.5 60 60 A 5 ILE HG1y A 5 ILE HG2% 1.0 1.8 3.4 61 61 A 5 ILE HG1y A 5 ILE HG2% 1.0 1.8 5.5 62 62 A 5 ILE HG1x A 5 ILE HG2% 1.0 1.8 5.5 63 63 A 5 ILE HA A 5 ILE H 1.0 1.8 3.4 64 64 A 5 ILE HA A 5 ILE H 1.0 1.8 5.5 65 65 A 5 ILE HB A 5 ILE H 1.0 1.8 2.8 66 66 A 5 ILE HB A 5 ILE H 1.0 1.8 2.8 67 67 A 5 ILE HG2% A 5 ILE H 1.0 1.8 5.5 68 68 A 5 ILE HD1% A 5 ILE H 1.0 1.8 5.5 69 69 A 5 ILE HD1% A 5 ILE H 1.0 1.8 5.5 70 70 A 5 ILE HG1y A 5 ILE H 1.0 1.8 2.8 71 71 A 5 ILE HG1y A 5 ILE H 1.0 1.8 5.5 72 72 A 5 ILE HG1x A 5 ILE H 1.0 1.8 3.4 73 73 A 5 ILE HG1x A 5 ILE H 1.0 1.8 5.5 74 74 A 5 ILE HG2% A 5 ILE H 1.0 1.8 5.5 75 75 A 6 LEU HBy A 6 LEU HA 1.0 1.8 5.5 76 76 A 6 LEU HBy A 6 LEU HA 1.0 1.8 5.5 77 77 A 6 LEU HA A 6 LEU HBx 1.0 1.8 3.4 78 78 A 6 LEU HBy A 6 LEU HBx 1.0 1.8 2.8 79 79 A 6 LEU HBy A 6 LEU HBx 1.0 1.8 2.8 80 80 A 6 LEU HA A 6 LEU HDx% 1.0 1.8 5.5 81 81 A 6 LEU HBy A 6 LEU HDx% 1.0 1.8 5.5 82 82 A 6 LEU HBx A 6 LEU HDx% 1.0 1.8 5.5 83 83 A 6 LEU HA A 6 LEU HDy% 1.0 1.8 5.5 84 84 A 6 LEU HA A 6 LEU HDy% 1.0 3.9 5.5 85 85 A 6 LEU HBx A 6 LEU HDy% 1.0 1.8 5.5 86 86 A 6 LEU HA A 6 LEU HG 1.0 1.8 5.5 87 87 A 6 LEU HA A 6 LEU H 1.0 1.8 3.4 88 88 A 6 LEU HA A 6 LEU H 1.0 1.8 5.5 89 89 A 6 LEU HBy A 6 LEU H 1.0 1.8 2.8 90 90 A 6 LEU HBy A 6 LEU H 1.0 1.8 2.8 91 91 A 6 LEU HBx A 6 LEU H 1.0 1.8 3.4 92 92 A 6 LEU HBx A 6 LEU H 1.0 1.8 5.5 93 93 A 6 LEU HDx% A 6 LEU H 1.0 1.8 5.5 94 94 A 6 LEU HDy% A 6 LEU H 1.0 1.8 5.5 95 95 A 6 LEU HDy% A 6 LEU H 1.0 1.8 5.5 96 96 A 6 LEU HG A 6 LEU H 1.0 1.8 3.4 97 97 A 6 LEU HG A 6 LEU H 1.0 1.8 5.5 98 98 A 7 LYS HA A 7 LYS HBy 1.0 1.8 3.4 99 99 A 7 LYS HA A 7 LYS HBy 1.0 1.8 2.8 100 100 A 7 LYS HA A 7 LYS HDy 1.0 1.8 5.5 101 101 A 7 LYS HBy A 7 LYS HEy 1.0 1.8 5.5 102 102 A 7 LYS HBy A 7 LYS HEy 1.0 1.8 5.5 103 103 A 7 LYS HDy A 7 LYS HEy 1.0 1.8 5.5 104 104 A 7 LYS HBy A 7 LYS HGy 1.0 1.8 3.4 105 105 A 7 LYS HEy A 7 LYS HGy 1.0 1.8 5.5 106 106 A 7 LYS HA A 7 LYS HGx 1.0 1.8 5.5 107 107 A 7 LYS HA A 7 LYS HGx 1.0 1.8 5.5 108 108 A 7 LYS HBy A 7 LYS HGx 1.0 1.8 5.5 109 109 A 7 LYS HBy A 7 LYS HGx 1.0 1.8 5.5 110 110 A 7 LYS HDy A 7 LYS HGx 1.0 1.8 2.8 111 111 A 7 LYS HDy A 7 LYS HGx 1.0 1.8 3.4 112 112 A 7 LYS HEy A 7 LYS HGx 1.0 1.8 5.5 113 113 A 7 LYS HA A 7 LYS H 1.0 1.8 3.4 114 114 A 7 LYS HBy A 7 LYS H 1.0 1.8 2.8 115 115 A 7 LYS HBy A 7 LYS H 1.0 1.8 2.8 116 116 A 7 LYS HDy A 7 LYS H 1.0 1.8 5.5 117 117 A 7 LYS HDy A 7 LYS H 1.0 1.8 3.4 118 118 A 7 LYS HGx A 7 LYS H 1.0 1.8 5.5 119 119 A 8 GLY HAy A 8 GLY HAx 1.0 1.8 2.8 120 120 A 8 GLY HAy A 8 GLY HAx 1.0 1.8 2.8 121 121 A 8 GLY HAy A 8 GLY H 1.0 1.8 3.4 122 122 A 8 GLY HAy A 8 GLY H 1.0 1.8 3.4 123 123 A 8 GLY HAx A 8 GLY H 1.0 1.8 2.8 124 124 A 8 GLY HAx A 8 GLY H 1.0 1.8 3.4 125 125 A 9 ALA H A 9 ALA HA 1.0 1.8 3.4 126 126 A 9 ALA H A 9 ALA HA 1.0 1.8 5.5 127 127 A 9 ALA H A 9 ALA HB% 1.0 1.8 3.4 128 128 A 9 ALA H A 9 ALA HB% 1.0 1.8 3.4 129 129 A 10 ALA H A 10 ALA HA 1.0 1.8 2.8 130 130 A 10 ALA H A 10 ALA HB% 1.0 1.8 2.8 131 131 A 10 ALA H A 10 ALA HB% 1.0 1.8 2.8 132 132 A 11 LYS HA A 11 LYS HBy 1.0 1.8 5.5 133 133 A 11 LYS HA A 11 LYS HBy 1.0 1.8 3.4 134 134 A 11 LYS HBy A 11 LYS HEy 1.0 1.8 5.5 135 135 A 11 LYS HA A 11 LYS HGy 1.0 1.8 5.5 136 136 A 11 LYS HEy A 11 LYS HGy 1.0 1.8 5.5 137 137 A 11 LYS HEy A 11 LYS HGy 1.0 1.8 5.5 138 138 A 11 LYS HA A 11 LYS HGx 1.0 1.8 5.5 139 139 A 11 LYS HEy A 11 LYS HGx 1.0 1.8 5.5 140 140 A 11 LYS HEy A 11 LYS HGx 1.0 1.8 5.5 141 141 A 11 LYS HGy A 11 LYS HGx 1.0 1.8 2.8 142 142 A 11 LYS HGy A 11 LYS HGx 1.0 1.8 2.8 143 143 A 11 LYS HA A 11 LYS H 1.0 1.8 3.4 144 144 A 11 LYS HA A 11 LYS H 1.0 1.8 5.5 145 145 A 11 LYS HBy A 11 LYS H 1.0 1.8 3.4 146 146 A 11 LYS HGy A 11 LYS H 1.0 1.8 5.5 147 147 A 11 LYS HGy A 11 LYS H 1.0 1.8 5.5 148 148 A 12 ASP HBy A 12 ASP HA 1.0 1.8 3.4 149 149 A 12 ASP HA A 12 ASP HBx 1.0 1.8 2.8 150 150 A 12 ASP HBy A 12 ASP HBx 1.0 1.8 2.8 151 151 A 12 ASP HBy A 12 ASP HBx 1.0 1.8 2.8 152 152 A 12 ASP HA A 12 ASP H 1.0 1.8 3.4 153 153 A 12 ASP HBy A 12 ASP H 1.0 1.8 2.8 154 154 A 12 ASP HBy A 12 ASP H 1.0 1.8 3.4 155 155 A 12 ASP HBx A 12 ASP H 1.0 1.8 3.4 156 156 A 12 ASP HBx A 12 ASP H 1.0 1.8 3.4 157 157 A 13 ILE HA A 13 ILE HB 1.0 1.8 5.5 158 158 A 13 ILE HA A 13 ILE HB 1.0 1.8 5.5 159 159 A 13 ILE HA A 13 ILE HD1% 1.0 1.8 5.5 160 160 A 13 ILE HA A 13 ILE HD1% 1.0 1.8 5.5 161 161 A 13 ILE HB A 13 ILE HD1% 1.0 1.8 5.5 162 162 A 13 ILE HB A 13 ILE HD1% 1.0 1.8 3.4 163 163 A 13 ILE HA A 13 ILE HG1y 1.0 1.8 5.5 164 164 A 13 ILE HA A 13 ILE HG1y 1.0 1.8 5.5 165 165 A 13 ILE HB A 13 ILE HG1y 1.0 1.8 3.4 166 166 A 13 ILE HB A 13 ILE HG1y 1.0 1.8 3.4 167 167 A 13 ILE HD1% A 13 ILE HG1y 1.0 1.8 5.5 168 168 A 13 ILE HD1% A 13 ILE HG1y 1.0 1.8 5.5 169 169 A 13 ILE HA A 13 ILE HG1x 1.0 1.8 5.5 170 170 A 13 ILE HA A 13 ILE HG1x 1.0 1.8 3.4 171 171 A 13 ILE HB A 13 ILE HG1x 1.0 1.8 5.5 172 172 A 13 ILE HB A 13 ILE HG1x 1.0 1.8 5.5 173 173 A 13 ILE HG1y A 13 ILE HG1x 1.0 1.8 2.8 174 174 A 13 ILE HG1y A 13 ILE HG1x 1.0 1.8 2.8 175 175 A 13 ILE HA A 13 ILE HG2% 1.0 1.8 5.5 176 176 A 13 ILE HB A 13 ILE HG2% 1.0 1.8 5.5 177 177 A 13 ILE HB A 13 ILE HG2% 1.0 1.8 5.5 178 178 A 13 ILE HG1y A 13 ILE HG2% 1.0 1.8 5.5 179 179 A 13 ILE HG1y A 13 ILE HG2% 1.0 1.8 3.4 180 180 A 13 ILE HA A 13 ILE H 1.0 1.8 5.5 181 181 A 13 ILE HA A 13 ILE H 1.0 1.8 5.5 182 182 A 13 ILE HB A 13 ILE H 1.0 1.8 3.4 183 183 A 13 ILE HB A 13 ILE H 1.0 1.8 3.4 184 184 A 13 ILE HD1% A 13 ILE H 1.0 1.8 5.5 185 185 A 13 ILE HD1% A 13 ILE H 1.0 1.8 5.5 186 186 A 13 ILE HG1y A 13 ILE H 1.0 1.8 3.4 187 187 A 13 ILE HG1y A 13 ILE H 1.0 1.8 3.4 188 188 A 13 ILE HG1x A 13 ILE H 1.0 1.8 5.5 189 189 A 13 ILE HG1x A 13 ILE H 1.0 1.8 5.5 190 190 A 13 ILE HG2% A 13 ILE H 1.0 1.8 5.5 191 191 A 13 ILE HG2% A 13 ILE H 1.0 1.8 5.5 192 192 A 14 ALA HA A 14 ALA HB% 1.0 1.8 5.5 193 193 A 14 ALA HA A 14 ALA H 1.0 1.8 3.4 194 194 A 14 ALA HA A 14 ALA H 1.0 1.8 5.5 195 195 A 14 ALA HB% A 14 ALA H 1.0 1.8 3.4 196 196 A 14 ALA HB% A 14 ALA H 1.0 1.8 3.4 197 197 A 15 GLY HAy A 15 GLY HAx 1.0 1.8 2.8 198 198 A 15 GLY HAy A 15 GLY HAx 1.0 1.8 2.8 199 199 A 15 GLY HAy A 15 GLY H 1.0 1.8 3.4 200 200 A 15 GLY HAy A 15 GLY H 1.0 1.8 5.5 201 201 A 15 GLY HAx A 15 GLY H 1.0 1.8 2.8 202 202 A 15 GLY HAx A 15 GLY H 1.0 1.8 3.4 203 203 A 16 HIS HBy A 16 HIS HA 1.0 1.8 2.8 204 204 A 16 HIS HBy A 16 HIS HD2 1.0 1.8 5.5 205 205 A 16 HIS HBy A 16 HIS HD2 1.0 1.8 5.5 206 206 A 16 HIS HA A 16 HIS H 1.0 1.8 3.4 207 207 A 16 HIS HBy A 16 HIS H 1.0 1.8 2.8 208 208 A 16 HIS HBy A 16 HIS H 1.0 1.8 2.8 209 209 A 16 HIS HD2 A 16 HIS H 1.0 1.8 5.5 210 210 A 17 LEU HBy A 17 LEU HA 1.0 1.8 3.4 211 211 A 17 LEU HBy A 17 LEU HA 1.0 1.8 5.5 212 212 A 17 LEU HA A 17 LEU HBx 1.0 1.8 3.4 213 213 A 17 LEU HA A 17 LEU HBx 1.0 1.8 5.5 214 214 A 17 LEU HBy A 17 LEU HBx 1.0 1.8 2.8 215 215 A 17 LEU HA A 17 LEU HDx% 1.0 1.8 5.5 216 216 A 17 LEU HBx A 17 LEU HDx% 1.0 1.8 3.4 217 217 A 17 LEU HBx A 17 LEU HDx% 1.0 1.8 3.4 218 218 A 17 LEU HBy A 17 LEU HDy% 1.0 1.8 5.5 219 219 A 17 LEU HA A 17 LEU HG 1.0 1.8 5.5 220 220 A 17 LEU HA A 17 LEU H 1.0 1.8 3.4 221 221 A 17 LEU HA A 17 LEU H 1.0 1.8 5.5 222 222 A 17 LEU HBy A 17 LEU H 1.0 1.8 2.8 223 223 A 17 LEU HBy A 17 LEU H 1.0 1.8 3.4 224 224 A 17 LEU HBx A 17 LEU H 1.0 1.8 3.4 225 225 A 17 LEU HBx A 17 LEU H 1.0 1.8 5.5 226 226 A 17 LEU HDx% A 17 LEU H 1.0 1.8 5.5 227 227 A 17 LEU HDx% A 17 LEU H 1.0 1.8 5.5 228 228 A 17 LEU HDy% A 17 LEU H 1.0 1.8 5.5 229 229 A 17 LEU HDy% A 17 LEU H 1.0 1.8 5.5 230 230 A 17 LEU HG A 17 LEU H 1.0 1.8 5.5 231 231 A 18 ALA HA A 18 ALA HB% 1.0 1.8 3.4 232 232 A 18 ALA HA A 18 ALA HB% 1.0 1.8 2.8 233 233 A 18 ALA HA A 18 ALA H 1.0 1.8 3.4 234 234 A 18 ALA HA A 18 ALA H 1.0 1.8 5.5 235 235 A 18 ALA HB% A 18 ALA H 1.0 1.8 3.4 236 236 A 18 ALA HB% A 18 ALA H 1.0 1.8 3.4 237 237 A 19 SER HA A 19 SER HBy 1.0 1.8 3.4 238 238 A 19 SER HA A 19 SER HBy 1.0 1.8 3.4 239 239 A 19 SER HA A 19 SER H 1.0 1.8 2.8 240 240 A 19 SER HA A 19 SER H 1.0 1.8 5.5 241 241 A 19 SER HBy A 19 SER H 1.0 1.8 2.8 242 242 A 19 SER HBy A 19 SER H 1.0 1.8 5.5 243 243 A 20 LYS HA A 20 LYS HBy 1.0 1.8 5.5 244 244 A 20 LYS HA A 20 LYS HBy 1.0 1.8 2.8 245 245 A 20 LYS HA A 20 LYS HBx 1.0 1.8 5.5 246 246 A 20 LYS HA A 20 LYS HBx 1.0 1.8 2.8 247 247 A 20 LYS HBy A 20 LYS HBx 1.0 1.8 2.8 248 248 A 20 LYS HBy A 20 LYS HBx 1.0 1.8 2.8 249 249 A 20 LYS HA A 20 LYS HDy 1.0 1.8 5.5 250 250 A 20 LYS HBx A 20 LYS HEy 1.0 1.8 5.5 251 251 A 20 LYS HDy A 20 LYS HEy 1.0 1.8 3.4 252 252 A 20 LYS HA A 20 LYS HGy 1.0 1.8 5.5 253 253 A 20 LYS HDy A 20 LYS HGy 1.0 1.8 2.8 254 254 A 20 LYS HA A 20 LYS HGx 1.0 1.8 5.5 255 255 A 20 LYS HA A 20 LYS HGx 1.0 1.8 5.5 256 256 A 20 LYS HBx A 20 LYS HGx 1.0 1.8 2.8 257 257 A 20 LYS HDy A 20 LYS HGx 1.0 1.8 3.4 258 258 A 20 LYS HEy A 20 LYS HGx 1.0 1.8 3.4 259 259 A 20 LYS HA A 20 LYS H 1.0 1.8 2.8 260 260 A 20 LYS HA A 20 LYS H 1.0 1.8 5.5 261 261 A 20 LYS HBy A 20 LYS H 1.0 1.8 3.4 262 262 A 20 LYS HBx A 20 LYS H 1.0 1.8 5.5 263 263 A 20 LYS HDy A 20 LYS H 1.0 1.8 5.5 264 264 A 20 LYS HGy A 20 LYS H 1.0 1.8 5.5 265 265 A 20 LYS HGy A 20 LYS H 1.0 1.8 5.5 266 266 A 20 LYS HGx A 20 LYS H 1.0 1.8 5.5 267 267 A 21 VAL HA A 21 VAL HB 1.0 1.8 5.5 268 268 A 21 VAL HA A 21 VAL HB 1.0 1.8 5.5 269 269 A 21 VAL HA A 21 VAL HGx% 1.0 1.8 5.5 270 270 A 21 VAL HA A 21 VAL HGx% 1.0 1.8 3.4 271 271 A 21 VAL HB A 21 VAL HGx% 1.0 1.8 5.5 272 272 A 21 VAL HB A 21 VAL HGx% 1.0 1.8 3.4 273 273 A 21 VAL HA A 21 VAL HGy% 1.0 1.8 5.5 274 274 A 21 VAL HA A 21 VAL HGy% 1.0 1.8 5.5 275 275 A 21 VAL HB A 21 VAL HGy% 1.0 1.8 3.4 276 276 A 21 VAL HB A 21 VAL HGy% 1.0 1.8 3.4 277 277 A 21 VAL HA A 21 VAL H 1.0 1.8 3.4 278 278 A 21 VAL HA A 21 VAL H 1.0 1.8 5.5 279 279 A 21 VAL HB A 21 VAL H 1.0 1.8 2.8 280 280 A 21 VAL HB A 21 VAL H 1.0 1.8 3.4 281 281 A 21 VAL HGx% A 21 VAL H 1.0 1.8 5.5 282 282 A 21 VAL HGx% A 21 VAL H 1.0 1.8 5.5 283 283 A 21 VAL HGy% A 21 VAL H 1.0 1.8 5.5 284 284 A 21 VAL HGy% A 21 VAL H 1.0 1.8 5.5 285 285 A 22 MET HA A 22 MET HBx 1.0 1.8 5.5 286 286 A 22 MET HA A 22 MET HBx 1.0 1.8 2.8 287 287 A 22 MET HA A 22 MET HGy 1.0 1.8 5.5 288 288 A 22 MET HBx A 22 MET HGy 1.0 1.8 3.4 289 289 A 22 MET HBx A 22 MET HGy 1.0 1.8 3.4 290 290 A 22 MET HA A 22 MET HGx 1.0 1.8 5.5 291 291 A 22 MET HA A 22 MET HGx 1.0 1.8 5.5 292 292 A 22 MET HBx A 22 MET HGx 1.0 1.8 3.4 293 293 A 22 MET HBx A 22 MET HGx 1.0 1.8 3.4 294 294 A 22 MET HGy A 22 MET HGx 1.0 1.8 2.8 295 295 A 22 MET HGy A 22 MET HGx 1.0 1.8 2.8 296 296 A 22 MET HA A 22 MET H 1.0 1.8 2.8 297 297 A 22 MET HA A 22 MET H 1.0 1.8 5.5 298 298 A 22 MET H A 22 MET HBy 1.0 1.8 3.4 299 299 A 22 MET H A 22 MET HBy 1.0 1.8 3.4 300 300 A 22 MET HBx A 22 MET H 1.0 1.8 2.8 301 301 A 22 MET HBx A 22 MET H 1.0 1.8 2.8 302 302 A 22 MET HGy A 22 MET H 1.0 1.8 5.5 303 303 A 22 MET HGy A 22 MET H 1.0 1.8 5.5 304 304 A 22 MET HGx A 22 MET H 1.0 1.8 5.5 305 305 A 22 MET HGx A 22 MET H 1.0 1.8 5.5 306 306 A 23 ASN HBy A 23 ASN HA 1.0 1.8 2.8 307 307 A 23 ASN HA A 23 ASN HBx 1.0 1.8 3.4 308 308 A 23 ASN HBy A 23 ASN HBx 1.0 1.8 2.8 309 309 A 23 ASN HBy A 23 ASN HBx 1.0 1.8 2.8 310 310 A 23 ASN HD2x A 23 ASN HD2y 1.0 1.8 2.8 311 311 A 23 ASN HD2x A 23 ASN HD2y 1.0 1.8 2.8 312 312 A 23 ASN HA A 23 ASN H 1.0 1.8 5.5 313 313 A 23 ASN HBy A 23 ASN H 1.0 1.8 2.8 314 314 A 23 ASN HBy A 23 ASN H 1.0 1.8 2.8 315 315 A 23 ASN HBx A 23 ASN H 1.0 1.8 3.4 316 316 A 23 ASN HBx A 23 ASN H 1.0 1.8 3.4 317 317 A 24 LYS HA A 24 LYS HBy 1.0 1.8 5.5 318 318 A 24 LYS HA A 24 LYS HBy 1.0 1.8 2.8 319 319 A 24 LYS HBy A 24 LYS HEy 1.0 1.8 5.5 320 320 A 24 LYS HA A 24 LYS HGy 1.0 1.8 5.5 321 321 A 24 LYS HA A 24 LYS HGy 1.0 1.8 2.8 322 322 A 24 LYS HBy A 24 LYS HGy 1.0 1.8 2.8 323 323 A 24 LYS HGy A 24 LYS HDy 1.0 1.8 2.8 324 324 A 24 LYS HEy A 24 LYS HGy 1.0 1.8 3.4 325 325 A 24 LYS HA A 24 LYS H 1.0 1.8 3.4 326 326 A 24 LYS HA A 24 LYS H 1.0 1.8 5.5 327 327 A 24 LYS HBy A 24 LYS H 1.0 1.8 2.8 328 328 A 24 LYS HBy A 24 LYS H 1.0 1.8 2.8 329 329 A 24 LYS HGy A 24 LYS H 1.0 1.8 5.5 330 330 A 24 LYS HGy A 24 LYS H 1.0 1.8 5.5 331 331 A 25 LEU HBy A 25 LEU HA 1.0 1.8 3.4 332 332 A 25 LEU HBy A 25 LEU HA 1.0 1.8 5.5 333 333 A 25 LEU HA A 25 LEU HBx 1.0 1.8 3.4 334 334 A 25 LEU HA A 25 LEU HBx 1.0 1.8 5.5 335 335 A 25 LEU HBy A 25 LEU HBx 1.0 1.8 2.8 336 336 A 25 LEU HBy A 25 LEU HBx 1.0 1.8 2.8 337 337 A 25 LEU HA A 25 LEU HDy% 1.0 3.9 5.5 338 338 A 25 LEU HA A 25 LEU HG 1.0 1.8 5.5 339 339 A 25 LEU HG A 25 LEU HDx% 1.0 1.8 3.4 340 340 A 25 LEU HDy% A 25 LEU HG 1.0 1.8 3.4 341 341 A 25 LEU HA A 25 LEU H 1.0 1.8 3.4 342 342 A 25 LEU HA A 25 LEU H 1.0 1.8 5.5 343 343 A 25 LEU HBy A 25 LEU H 1.0 2.4 3.4 344 344 A 25 LEU HBy A 25 LEU H 1.0 1.8 3.4 345 345 A 25 LEU HBx A 25 LEU H 1.0 1.8 5.5 346 346 A 25 LEU HBx A 25 LEU H 1.0 1.8 5.5 347 347 A 25 LEU HG A 25 LEU H 1.0 1.8 3.4 348 348 A 1 GLY HAy A 2 VAL H 1.0 1.8 3.4 349 349 A 1 GLY HAy A 2 VAL H 1.0 1.8 5.5 350 350 A 1 GLY HAx A 2 VAL H 1.0 1.8 5.5 351 351 A 1 GLY HAx A 2 VAL H 1.0 1.8 5.5 352 352 A 2 VAL HA A 3 VAL H 1.0 1.8 5.5 353 353 A 2 VAL HA A 3 VAL H 1.0 1.8 5.5 354 354 A 2 VAL HB A 3 VAL H 1.0 1.8 2.8 355 355 A 2 VAL HB A 3 VAL H 1.0 1.8 5.5 356 356 A 2 VAL H A 3 VAL H 1.0 1.8 5.5 357 357 A 2 VAL H A 3 VAL H 1.0 1.8 3.4 358 358 A 3 VAL HA A 4 ASP H 1.0 1.8 5.5 359 359 A 3 VAL HA A 4 ASP H 1.0 1.8 5.5 360 360 A 3 VAL HB A 4 ASP H 1.0 1.8 5.5 361 361 A 3 VAL HB A 4 ASP H 1.0 1.8 3.4 362 362 A 3 VAL HGx% A 4 ASP H 1.0 1.8 5.5 363 363 A 3 VAL HGx% A 4 ASP H 1.0 1.8 5.5 364 364 A 3 VAL HGy% A 4 ASP H 1.0 1.8 5.5 365 365 A 3 VAL HGy% A 4 ASP H 1.0 1.8 5.5 366 366 A 3 VAL H A 4 ASP H 1.0 1.8 3.4 367 367 A 3 VAL H A 4 ASP H 1.0 1.8 3.4 368 368 A 4 ASP HA A 5 ILE H 1.0 1.8 5.5 369 369 A 4 ASP HBy A 5 ILE H 1.0 1.8 3.4 370 370 A 4 ASP HBy A 5 ILE H 1.0 1.8 3.4 371 371 A 4 ASP H A 5 ILE H 1.0 1.8 3.4 372 372 A 4 ASP H A 5 ILE H 1.0 1.8 2.8 373 373 A 5 ILE HA A 6 LEU H 1.0 1.8 5.5 374 374 A 5 ILE HA A 6 LEU H 1.0 1.8 5.5 375 375 A 5 ILE HB A 6 LEU H 1.0 1.8 3.4 376 376 A 5 ILE HB A 6 LEU H 1.0 1.8 3.4 377 377 A 5 ILE HG1y A 6 LEU H 1.0 1.8 5.5 378 378 A 5 ILE H A 6 LEU H 1.0 1.8 2.8 379 379 A 5 ILE H A 6 LEU H 1.0 1.8 2.8 380 380 A 6 LEU H A 7 LYS H 1.0 1.8 2.8 381 381 A 6 LEU H A 7 LYS H 1.0 1.8 2.8 382 382 A 7 LYS HBy A 8 GLY H 1.0 1.8 3.4 383 383 A 7 LYS HBy A 8 GLY H 1.0 1.8 5.5 384 384 A 7 LYS H A 8 GLY H 1.0 1.8 3.4 385 385 A 7 LYS H A 8 GLY H 1.0 1.8 3.4 386 386 A 8 GLY HAy A 9 ALA H 1.0 1.8 3.4 387 387 A 8 GLY HAy A 9 ALA H 1.0 1.8 5.5 388 388 A 8 GLY HAx A 9 ALA H 1.0 1.8 5.5 389 389 A 8 GLY HAx A 9 ALA H 1.0 1.8 5.5 390 390 A 8 GLY H A 9 ALA H 1.0 1.8 3.4 391 391 A 8 GLY H A 9 ALA H 1.0 1.8 3.4 392 392 A 9 ALA HA A 10 ALA H 1.0 1.8 5.5 393 393 A 9 ALA H A 10 ALA H 1.0 1.8 2.8 394 394 A 9 ALA H A 10 ALA H 1.0 1.8 3.4 395 395 A 10 ALA HA A 11 LYS H 1.0 1.8 5.5 396 396 A 10 ALA HA A 11 LYS H 1.0 1.8 5.5 397 397 A 10 ALA HB% A 11 LYS H 1.0 1.8 5.5 398 398 A 10 ALA HB% A 11 LYS H 1.0 1.8 5.5 399 399 A 10 ALA H A 11 LYS H 1.0 1.8 3.4 400 400 A 10 ALA H A 11 LYS H 1.0 1.8 3.4 401 401 A 11 LYS HA A 12 ASP H 1.0 1.8 5.5 402 402 A 11 LYS HA A 12 ASP H 1.0 1.8 5.5 403 403 A 12 ASP HA A 13 ILE H 1.0 1.8 5.5 404 404 A 12 ASP HBy A 13 ILE H 1.0 1.8 5.5 405 405 A 12 ASP HBy A 13 ILE H 1.0 1.8 5.5 406 406 A 12 ASP HBx A 13 ILE H 1.0 1.8 5.5 407 407 A 12 ASP HBx A 13 ILE H 1.0 1.8 5.5 408 408 A 12 ASP H A 13 ILE H 1.0 1.8 5.5 409 409 A 12 ASP H A 13 ILE H 1.0 1.8 3.4 410 410 A 13 ILE HA A 14 ALA H 1.0 1.8 5.5 411 411 A 13 ILE HA A 14 ALA H 1.0 1.8 5.5 412 412 A 13 ILE HB A 14 ALA H 1.0 1.8 3.4 413 413 A 13 ILE HB A 14 ALA H 1.0 1.8 3.4 414 414 A 13 ILE HG1y A 14 ALA H 1.0 1.8 5.5 415 415 A 13 ILE HG1y A 14 ALA H 1.0 1.8 5.5 416 416 A 13 ILE H A 14 ALA H 1.0 1.8 3.4 417 417 A 13 ILE H A 14 ALA H 1.0 1.8 3.4 418 418 A 14 ALA HA A 15 GLY H 1.0 1.8 5.5 419 419 A 14 ALA HA A 15 GLY H 1.0 1.8 5.5 420 420 A 14 ALA H A 15 GLY H 1.0 1.8 5.5 421 421 A 14 ALA H A 15 GLY H 1.0 1.8 5.5 422 422 A 15 GLY HAy A 16 HIS H 1.0 1.8 5.5 423 423 A 15 GLY HAy A 16 HIS H 1.0 1.8 5.5 424 424 A 15 GLY HAx A 16 HIS H 1.0 1.8 5.5 425 425 A 15 GLY HAx A 16 HIS H 1.0 1.8 5.5 426 426 A 16 HIS HA A 17 LEU H 1.0 1.8 5.5 427 427 A 16 HIS HBy A 17 LEU H 1.0 1.8 3.4 428 428 A 16 HIS HBy A 17 LEU H 1.0 1.8 3.4 429 429 A 16 HIS H A 17 LEU H 1.0 1.8 3.4 430 430 A 16 HIS H A 17 LEU H 1.0 1.8 2.8 431 431 A 17 LEU HA A 18 ALA H 1.0 1.8 5.5 432 432 A 17 LEU HBy A 18 ALA H 1.0 1.8 5.5 433 433 A 17 LEU HBx A 18 ALA H 1.0 1.8 5.5 434 434 A 17 LEU HBy A 18 ALA H 1.0 1.8 5.5 435 435 A 17 LEU HBx A 18 ALA H 1.0 1.8 5.5 436 436 A 17 LEU HG A 18 ALA H 1.0 1.8 5.5 437 437 A 17 LEU H A 18 ALA H 1.0 1.8 3.4 438 438 A 17 LEU H A 18 ALA H 1.0 1.8 2.8 439 439 A 18 ALA HB% A 19 SER H 1.0 1.8 5.5 440 440 A 18 ALA HB% A 19 SER H 1.0 1.8 5.5 441 441 A 18 ALA H A 19 SER H 1.0 1.8 5.5 442 442 A 18 ALA H A 19 SER H 1.0 1.8 3.4 443 443 A 19 SER HBy A 20 LYS H 1.0 1.8 3.4 444 444 A 19 SER HBy A 20 LYS H 1.0 1.8 5.5 445 445 A 19 SER H A 20 LYS H 1.0 1.8 3.4 446 446 A 19 SER H A 20 LYS H 1.0 1.8 3.4 447 447 A 20 LYS HA A 21 VAL H 1.0 1.8 5.5 448 448 A 20 LYS HA A 21 VAL H 1.0 1.8 5.5 449 449 A 20 LYS HBy A 21 VAL H 1.0 1.8 2.8 450 450 A 20 LYS HBx A 21 VAL H 1.0 1.8 5.5 451 451 A 20 LYS HBy A 21 VAL H 1.0 1.8 3.4 452 452 A 20 LYS HGx A 21 VAL H 1.0 1.8 5.5 453 453 A 20 LYS H A 21 VAL H 1.0 1.8 2.8 454 454 A 20 LYS H A 21 VAL H 1.0 1.8 3.4 455 455 A 21 VAL HA A 22 MET H 1.0 1.8 5.5 456 456 A 21 VAL HA A 22 MET H 1.0 1.8 5.5 457 457 A 21 VAL HGx% A 22 MET H 1.0 1.8 5.5 458 458 A 21 VAL HGx% A 22 MET H 1.0 1.8 5.5 459 459 A 21 VAL HGy% A 22 MET H 1.0 1.8 5.5 460 460 A 21 VAL HGy% A 22 MET H 1.0 1.8 5.5 461 461 A 21 VAL H A 22 MET H 1.0 1.8 2.8 462 462 A 21 VAL H A 22 MET H 1.0 1.8 3.4 463 463 A 22 MET HA A 23 ASN H 1.0 1.8 5.5 464 464 A 22 MET HBx A 23 ASN H 1.0 1.8 5.5 465 465 A 22 MET HBx A 23 ASN H 1.0 1.8 3.4 466 466 A 22 MET H A 23 ASN H 1.0 1.8 2.8 467 467 A 22 MET H A 23 ASN H 1.0 1.8 2.8 468 468 A 23 ASN HBx A 24 LYS H 1.0 1.8 5.5 469 469 A 23 ASN HBx A 24 LYS H 1.0 1.8 5.5 470 470 A 23 ASN H A 24 LYS H 1.0 1.8 3.4 471 471 A 23 ASN H A 24 LYS H 1.0 1.8 2.8 472 472 A 24 LYS HA A 25 LEU H 1.0 1.8 5.5 473 473 A 24 LYS HBy A 25 LEU H 1.0 1.8 3.4 474 474 A 24 LYS HBy A 25 LEU H 1.0 1.8 3.4 475 475 A 24 LYS H A 25 LEU H 1.0 1.8 2.8 476 476 A 24 LYS H A 25 LEU H 1.0 1.8 2.8 477 477 A 2 VAL HA A 4 ASP H 1.0 1.8 5.5 478 478 A 2 VAL HA A 4 ASP H 1.0 1.8 5.5 479 479 A 2 VAL HA A 5 ILE HB 1.0 1.8 5.5 480 480 A 2 VAL HA A 5 ILE HB 1.0 1.8 3.4 481 481 A 2 VAL HA A 5 ILE H 1.0 1.8 5.5 482 482 A 2 VAL HA A 5 ILE H 1.0 1.8 5.5 483 483 A 3 VAL HA A 5 ILE H 1.0 1.8 5.5 484 484 A 3 VAL HA A 5 ILE H 1.0 1.8 5.5 485 485 A 3 VAL H A 5 ILE H 1.0 1.8 5.5 486 486 A 2 VAL HA A 6 LEU H 1.0 1.8 5.5 487 487 A 2 VAL HA A 6 LEU H 1.0 1.8 5.5 488 488 A 3 VAL HA A 6 LEU HBy 1.0 1.8 3.4 489 489 A 3 VAL HA A 6 LEU HBy 1.0 1.8 5.5 490 490 A 3 VAL HA A 6 LEU HBx 1.0 1.8 5.5 491 491 A 3 VAL HA A 6 LEU HBx 1.0 1.8 5.5 492 492 A 3 VAL HA A 6 LEU H 1.0 1.8 5.5 493 493 A 3 VAL HA A 6 LEU H 1.0 1.8 5.5 494 494 A 4 ASP HA A 6 LEU H 1.0 1.8 5.5 495 495 A 4 ASP H A 6 LEU H 1.0 1.8 5.5 496 496 A 4 ASP H A 6 LEU H 1.0 1.8 5.5 497 497 A 3 VAL HA A 7 LYS H 1.0 1.8 5.5 498 498 A 3 VAL HA A 7 LYS H 1.0 1.8 5.5 499 499 A 4 ASP HA A 7 LYS HBy 1.0 1.8 3.4 500 500 A 4 ASP HA A 7 LYS H 1.0 1.8 5.5 501 501 A 5 ILE HA A 7 LYS H 1.0 1.8 5.5 502 502 A 5 ILE HA A 7 LYS H 1.0 1.8 5.5 503 503 A 5 ILE H A 7 LYS H 1.0 1.8 5.5 504 504 A 5 ILE H A 7 LYS H 1.0 1.8 5.5 505 505 A 4 ASP HA A 8 GLY H 1.0 1.8 5.5 506 506 A 6 LEU HA A 8 GLY H 1.0 1.8 5.5 507 507 A 6 LEU HA A 9 ALA H 1.0 1.8 5.5 508 508 A 6 LEU HA A 9 ALA H 1.0 1.8 5.5 509 509 A 7 LYS HA A 10 ALA HB% 1.0 1.8 5.5 510 510 A 7 LYS HA A 10 ALA HB% 1.0 1.8 5.5 511 511 A 8 GLY HAx A 11 LYS H 1.0 1.8 5.5 512 512 A 8 GLY HAx A 11 LYS H 1.0 1.8 5.5 513 513 A 8 GLY HAy A 12 ASP H 1.0 1.8 5.5 514 514 A 8 GLY HAy A 12 ASP H 1.0 1.8 5.5 515 515 A 8 GLY HAx A 12 ASP H 1.0 1.8 5.5 516 516 A 8 GLY HAx A 12 ASP H 1.0 1.8 5.5 517 517 A 9 ALA HA A 12 ASP HBy 1.0 1.8 5.5 518 518 A 9 ALA HA A 12 ASP HBx 1.0 1.8 5.5 519 519 A 9 ALA HA A 12 ASP H 1.0 1.8 5.5 520 520 A 9 ALA HA A 13 ILE H 1.0 1.8 5.5 521 521 A 10 ALA HA A 13 ILE H 1.0 1.8 5.5 522 522 A 10 ALA HA A 13 ILE H 1.0 1.8 5.5 523 523 A 10 ALA HA A 14 ALA H 1.0 1.8 5.5 524 524 A 10 ALA HA A 14 ALA H 1.0 1.8 5.5 525 525 A 11 LYS HA A 14 ALA H 1.0 1.8 5.5 526 526 A 11 LYS HA A 14 ALA H 1.0 1.8 5.5 527 527 A 11 LYS HA A 15 GLY H 1.0 1.8 3.4 528 528 A 11 LYS HA A 15 GLY H 1.0 1.8 5.5 529 529 A 13 ILE HA A 15 GLY H 1.0 1.8 5.5 530 530 A 13 ILE HA A 16 HIS HBy 1.0 1.8 5.5 531 531 A 13 ILE HA A 16 HIS HBy 1.0 1.8 5.5 532 532 A 13 ILE HA A 16 HIS HD2 1.0 1.8 5.5 533 533 A 13 ILE HA A 16 HIS H 1.0 1.8 5.5 534 534 A 13 ILE HA A 16 HIS H 1.0 1.8 5.5 535 535 A 14 ALA HA A 16 HIS H 1.0 1.8 5.5 536 536 A 13 ILE HA A 17 LEU H 1.0 1.8 5.5 537 537 A 13 ILE HA A 17 LEU H 1.0 1.8 5.5 538 538 A 14 ALA HA A 17 LEU HBy 1.0 1.8 5.5 539 539 A 14 ALA HA A 17 LEU HBy 1.0 1.8 5.5 540 540 A 14 ALA HA A 17 LEU HBx 1.0 1.8 5.5 541 541 A 14 ALA HA A 17 LEU H 1.0 1.8 5.5 542 542 A 14 ALA HA A 17 LEU H 1.0 1.8 5.5 543 543 A 14 ALA HA A 18 ALA H 1.0 1.8 5.5 544 544 A 14 ALA HA A 18 ALA H 1.0 1.8 5.5 545 545 A 15 GLY HAy A 18 ALA HB% 1.0 1.8 5.5 546 546 A 15 GLY HAy A 18 ALA HB% 1.0 1.8 5.5 547 547 A 15 GLY HAx A 18 ALA H 1.0 1.8 5.5 548 548 A 15 GLY HAx A 18 ALA H 1.0 1.8 5.5 549 549 A 16 HIS HBy A 18 ALA H 1.0 1.8 5.5 550 550 A 16 HIS H A 18 ALA H 1.0 1.8 5.5 551 551 A 16 HIS HA A 19 SER H 1.0 1.8 5.5 552 552 A 18 ALA HA A 21 VAL HB 1.0 1.8 5.5 553 553 A 18 ALA HA A 21 VAL HB 1.0 1.8 5.5 554 554 A 18 ALA HA A 22 MET H 1.0 1.8 5.5 555 555 A 18 ALA HA A 22 MET H 1.0 1.8 5.5 556 556 A 19 SER HA A 22 MET HBx 1.0 1.8 5.5 557 557 A 19 SER HA A 22 MET HBx 1.0 1.8 5.5 558 558 A 19 SER HA A 22 MET H 1.0 1.8 5.5 559 559 A 19 SER HA A 22 MET H 1.0 1.8 5.5 560 560 A 20 LYS H A 22 MET H 1.0 1.8 5.5 561 561 A 20 LYS H A 22 MET H 1.0 1.8 5.5 562 562 A 20 LYS HA A 23 ASN HBy 1.0 1.8 5.5 563 563 A 20 LYS HA A 23 ASN HBx 1.0 1.8 5.5 564 564 A 20 LYS HA A 23 ASN H 1.0 1.8 5.5 565 565 A 21 VAL HA A 23 ASN H 1.0 1.8 5.5 566 566 A 21 VAL HA A 23 ASN H 1.0 1.8 5.5 567 567 A 21 VAL HA A 24 LYS HBy 1.0 1.8 5.5 568 568 A 21 VAL HA A 24 LYS HBy 1.0 1.8 3.4 569 569 A 21 VAL HA A 24 LYS H 1.0 1.8 5.5 570 570 A 21 VAL HA A 24 LYS H 1.0 1.8 5.5 571 571 A 22 MET HA A 24 LYS H 1.0 1.8 5.5 572 572 A 21 VAL HA A 25 LEU H 1.0 1.8 5.5 573 573 A 21 VAL HA A 25 LEU H 1.0 1.8 5.5 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 1 GLY C A 2 VAL N A 2 VAL CA A 2 VAL C 1.0 -73.78 -52.76 PHI 2 2 A 2 VAL C A 3 VAL N A 3 VAL CA A 3 VAL C 1.0 -72.48 -53.14 PHI 3 3 A 3 VAL C A 4 ASP N A 4 ASP CA A 4 ASP C 1.0 -73.59 -48.65 PHI 4 4 A 4 ASP C A 5 ILE N A 5 ILE CA A 5 ILE C 1.0 -83.24 -52.92 PHI 5 5 A 5 ILE C A 6 LEU N A 6 LEU CA A 6 LEU C 1.0 -72.44 -57.76 PHI 6 6 A 6 LEU C A 7 LYS N A 7 LYS CA A 7 LYS C 1.0 -72.62 -51.90 PHI 7 7 A 7 LYS C A 8 GLY N A 8 GLY CA A 8 GLY C 1.0 -92.40 -39.46 PHI 8 8 A 8 GLY C A 9 ALA N A 9 ALA CA A 9 ALA C 1.0 -73.07 -48.15 PHI 9 9 A 9 ALA C A 10 ALA N A 10 ALA CA A 10 ALA C 1.0 -71.52 -54.82 PHI 10 10 A 10 ALA C A 11 LYS N A 11 LYS CA A 11 LYS C 1.0 -74.02 -49.28 PHI 11 11 A 11 LYS C A 12 ASP N A 12 ASP CA A 12 ASP C 1.0 -71.55 -57.59 PHI 12 12 A 12 ASP C A 13 ILE N A 13 ILE CA A 13 ILE C 1.0 -77.09 -53.25 PHI 13 13 A 13 ILE C A 14 ALA N A 14 ALA CA A 14 ALA C 1.0 -73.20 -51.40 PHI 14 14 A 14 ALA C A 15 GLY N A 15 GLY CA A 15 GLY C 1.0 -78.02 -50.10 PHI 15 15 A 16 HIS C A 17 LEU N A 17 LEU CA A 17 LEU C 1.0 -72.49 -49.19 PHI 16 16 A 17 LEU C A 18 ALA N A 18 ALA CA A 18 ALA C 1.0 -74.23 -50.61 PHI 17 17 A 18 ALA C A 19 SER N A 19 SER CA A 19 SER C 1.0 -74.66 -53.36 PHI 18 18 A 19 SER C A 20 LYS N A 20 LYS CA A 20 LYS C 1.0 -75.36 -55.04 PHI 19 19 A 20 LYS C A 21 VAL N A 21 VAL CA A 21 VAL C 1.0 -73.44 -59.18 PHI 20 20 A 21 VAL C A 22 MET N A 22 MET CA A 22 MET C 1.0 -72.96 -48.32 PHI 21 21 A 22 MET C A 23 ASN N A 23 ASN CA A 23 ASN C 1.0 -87.47 -45.75 PHI 22 22 A 23 ASN C A 24 LYS N A 24 LYS CA A 24 LYS C 1.0 -88.53 -58.03 PHI 23 23 A 2 VAL N A 2 VAL CA A 2 VAL C A 3 VAL N 1.0 -61.64 -25.62 PSI 24 24 A 3 VAL N A 3 VAL CA A 3 VAL C A 4 ASP N 1.0 -53.30 -33.30 PSI 25 25 A 4 ASP N A 4 ASP CA A 4 ASP C A 5 ILE N 1.0 -55.80 -26.08 PSI 26 26 A 5 ILE N A 5 ILE CA A 5 ILE C A 6 LEU N 1.0 -55.19 -28.43 PSI 27 27 A 6 LEU N A 6 LEU CA A 6 LEU C A 7 LYS N 1.0 -51.83 -29.77 PSI 28 28 A 7 LYS N A 7 LYS CA A 7 LYS C A 8 GLY N 1.0 -53.92 -38.24 PSI 29 29 A 8 GLY N A 8 GLY CA A 8 GLY C A 9 ALA N 1.0 -60.92 -16.88 PSI 30 30 A 9 ALA N A 9 ALA CA A 9 ALA C A 10 ALA N 1.0 -52.36 -39.04 PSI 31 31 A 10 ALA N A 10 ALA CA A 10 ALA C A 11 LYS N 1.0 -52.94 -29.82 PSI 32 32 A 11 LYS N A 11 LYS CA A 11 LYS C A 12 ASP N 1.0 -52.73 -37.05 PSI 33 33 A 12 ASP N A 12 ASP CA A 12 ASP C A 13 ILE N 1.0 -54.37 -27.31 PSI 34 34 A 13 ILE N A 13 ILE CA A 13 ILE C A 14 ALA N 1.0 -57.25 -28.55 PSI 35 35 A 14 ALA N A 14 ALA CA A 14 ALA C A 15 GLY N 1.0 -57.85 -23.99 PSI 36 36 A 15 GLY N A 15 GLY CA A 15 GLY C A 16 HIS N 1.0 -67.26 -5.56 PSI 37 37 A 17 LEU N A 17 LEU CA A 17 LEU C A 18 ALA N 1.0 -52.99 -28.67 PSI 38 38 A 18 ALA N A 18 ALA CA A 18 ALA C A 19 SER N 1.0 -53.61 -14.71 PSI 39 39 A 19 SER N A 19 SER CA A 19 SER C A 20 LYS N 1.0 -47.79 -33.17 PSI 40 40 A 20 LYS N A 20 LYS CA A 20 LYS C A 21 VAL N 1.0 -54.49 -32.25 PSI 41 41 A 21 VAL N A 21 VAL CA A 21 VAL C A 22 MET N 1.0 -51.82 -34.30 PSI 42 42 A 22 MET N A 22 MET CA A 22 MET C A 23 ASN N 1.0 -46.90 -28.14 PSI 43 43 A 23 ASN N A 23 ASN CA A 23 ASN C A 24 LYS N 1.0 -73.04 0.04 PSI 44 44 A 24 LYS N A 24 LYS CA A 24 LYS C A 25 LEU N 1.0 -64.62 -0.64 PSI stop_ save_