data_nef_c30213_5u9s 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 30214 BMRB 30215 BMRB 30216 BMRB 30217 BMRB 30218 BMRB 30219 PDB 5U9S 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 HAy H 1 4.110 . A 1 GLY HAx H 1 3.957 . A 1 GLY CA C 13 43.414 . A 2 VAL H H 1 8.136 . A 2 VAL HA H 1 3.860 . A 2 VAL HB H 1 2.112 . A 2 VAL HGx% H 1 1.116 . A 2 VAL HGy% H 1 1.036 . A 2 VAL CA C 13 66.317 . A 2 VAL CB C 13 32.563 . A 2 VAL CGy C 13 21.121 . A 2 VAL CGx C 13 20.041 . A 3 VAL H H 1 8.138 . A 3 VAL HA H 1 3.787 . A 3 VAL HB H 1 2.110 . A 3 VAL HGx% H 1 1.078 . A 3 VAL HGy% H 1 0.996 . A 3 VAL CA C 13 66.067 . A 3 VAL CB C 13 32.029 . A 3 VAL CGy C 13 21.852 . A 3 VAL CGx C 13 20.702 . A 3 VAL N N 15 117.918 . A 4 ASP H H 1 7.424 . A 4 ASP HA H 1 4.391 . A 4 ASP HBy H 1 2.845 . A 4 ASP HBx H 1 2.754 . A 4 ASP CA C 13 57.323 . A 4 ASP CB C 13 41.028 . A 4 ASP N N 15 114.356 . A 5 ILE H H 1 7.614 . A 5 ILE HA H 1 3.863 . A 5 ILE HB H 1 2.173 . A 5 ILE HD1% H 1 0.910 . A 5 ILE HG1y H 1 1.733 . A 5 ILE HG1x H 1 1.247 . A 5 ILE HG2% H 1 0.977 . A 5 ILE CA C 13 64.384 . A 5 ILE CB C 13 37.867 . A 5 ILE CD1 C 13 12.386 . A 5 ILE CG1 C 13 28.121 . A 5 ILE CG2 C 13 16.331 . A 5 ILE N N 15 120.520 . A 6 LEU H H 1 8.106 . A 6 LEU HA H 1 4.151 . A 6 LEU HBy H 1 1.946 . A 6 LEU HBx H 1 1.596 . A 6 LEU HDx% H 1 0.923 . A 6 LEU HDy% H 1 0.890 . A 6 LEU HG H 1 1.892 . A 6 LEU CA C 13 58.052 . A 6 LEU CB C 13 41.532 . A 6 LEU CDy C 13 22.765 . A 6 LEU CDx C 13 21.916 . A 6 LEU CG C 13 26.720 . A 6 LEU N N 15 120.404 . A 7 LYS H H 1 8.437 . A 7 LYS HA H 1 4.085 . A 7 LYS HBy H 1 1.979 . A 7 LYS HBx H 1 1.928 . A 7 LYS HDx H 1 1.753 . A 7 LYS HEy H 1 3.040 . A 7 LYS HEx H 1 2.968 . A 7 LYS HGy H 1 1.767 . A 7 LYS HGx H 1 1.478 . A 7 LYS CA C 13 59.600 . A 7 LYS CB C 13 32.686 . A 7 LYS CD C 13 29.357 . A 7 LYS CE C 13 42.049 . A 7 LYS CG C 13 25.517 . A 7 LYS N N 15 117.855 . A 8 GLY H H 1 7.999 . A 8 GLY HAy H 1 3.941 . A 8 GLY HAx H 1 3.868 . A 8 GLY CA C 13 46.812 . A 8 GLY N N 15 106.100 . A 9 ALA H H 1 8.352 . A 9 ALA HA H 1 4.336 . A 9 ALA HB% H 1 1.568 . A 9 ALA CA C 13 54.783 . A 9 ALA CB C 13 17.874 . A 9 ALA N N 15 125.131 . A 10 ALA H H 1 8.208 . A 10 ALA HA H 1 4.127 . A 10 ALA HB% H 1 1.568 . A 10 ALA CA C 13 55.171 . A 10 ALA CB C 13 17.629 . A 10 ALA N N 15 119.854 . A 11 LYS H H 1 7.900 . A 11 LYS HA H 1 4.127 . A 11 LYS HBy H 1 2.022 . A 11 LYS HBx H 1 1.918 . A 11 LYS HDy H 1 1.757 . A 11 LYS HDx H 1 1.682 . A 11 LYS HEy H 1 3.044 . A 11 LYS HEx H 1 2.956 . A 11 LYS HGx H 1 1.569 . A 11 LYS CA C 13 59.192 . A 11 LYS CB C 13 32.170 . A 11 LYS CD C 13 28.762 . A 11 LYS CE C 13 42.173 . A 11 LYS CG C 13 24.718 . A 11 LYS N N 15 117.074 . A 12 ASP H H 1 8.052 . A 12 ASP HA H 1 4.639 . A 12 ASP HBy H 1 2.934 . A 12 ASP HBx H 1 2.841 . A 12 ASP CA C 13 56.915 . A 12 ASP CB C 13 40.750 . A 12 ASP N N 15 121.195 . A 13 ILE H H 1 8.511 . A 13 ILE HA H 1 3.826 . A 13 ILE HB H 1 1.992 . A 13 ILE HD1% H 1 0.894 . A 13 ILE HG1y H 1 1.843 . A 13 ILE HG1x H 1 1.165 . A 13 ILE HG2% H 1 1.001 . A 13 ILE CA C 13 65.463 . A 13 ILE CB C 13 38.309 . A 13 ILE CD1 C 13 12.320 . A 13 ILE CG1 C 13 28.923 . A 13 ILE CG2 C 13 16.449 . A 13 ILE N N 15 122.797 . A 14 ALA H H 1 8.421 . A 14 ALA HA H 1 4.127 . A 14 ALA HB% H 1 1.570 . A 14 ALA CA C 13 55.631 . A 14 ALA CB C 13 17.643 . A 14 ALA N N 15 122.025 . A 15 GLY H H 1 8.291 . A 15 GLY HAy H 1 3.983 . A 15 GLY HAx H 1 3.911 . A 15 GLY CA C 13 46.838 . A 15 GLY N N 15 103.974 . A 16 HIS H H 1 8.180 . A 16 HIS HA H 1 4.430 . A 16 HIS HBx H 1 3.373 . A 16 HIS HD2 H 1 7.113 . A 16 HIS CA C 13 59.856 . A 16 HIS CB C 13 28.985 . A 16 HIS N N 15 121.600 . A 17 LEU H H 1 8.665 . A 17 LEU HA H 1 4.127 . A 17 LEU HBy H 1 1.908 . A 17 LEU HBx H 1 1.697 . A 17 LEU HDx% H 1 0.952 . A 17 LEU HDy% H 1 0.929 . A 17 LEU HG H 1 1.862 . A 17 LEU CA C 13 58.365 . A 17 LEU CB C 13 41.607 . A 17 LEU CDx C 13 24.003 . A 17 LEU CDy C 13 24.636 . A 17 LEU CG C 13 26.825 . A 17 LEU N N 15 121.652 . A 18 ALA H H 1 8.576 . A 18 ALA HA H 1 4.076 . A 18 ALA HB% H 1 1.553 . A 18 ALA CA C 13 55.444 . A 18 ALA CB C 13 17.531 . A 18 ALA N N 15 120.492 . A 19 SER H H 1 7.892 . A 19 SER HA H 1 4.199 . A 19 SER HBy H 1 4.076 . A 19 SER HBx H 1 4.031 . A 19 SER CA C 13 61.741 . A 19 SER CB C 13 62.966 . A 19 SER N N 15 111.526 . A 20 LYS H H 1 7.842 . A 20 LYS HA H 1 4.192 . A 20 LYS HBy H 1 2.104 . A 20 LYS HBx H 1 2.006 . A 20 LYS HDy H 1 1.706 . A 20 LYS HDx H 1 1.616 . A 20 LYS HEy H 1 2.967 . A 20 LYS HEx H 1 2.868 . A 20 LYS HGy H 1 1.606 . A 20 LYS HGx H 1 1.491 . A 20 LYS CA C 13 59.060 . A 20 LYS CB C 13 32.501 . A 20 LYS CD C 13 28.967 . A 20 LYS CG C 13 24.762 . A 20 LYS N N 15 122.371 . A 21 VAL H H 1 8.177 . A 21 VAL HA H 1 3.740 . A 21 VAL HB H 1 2.236 . A 21 VAL HGx% H 1 1.079 . A 21 VAL HGy% H 1 0.983 . A 21 VAL CA C 13 66.365 . A 21 VAL CB C 13 32.102 . A 21 VAL CGy C 13 21.673 . A 21 VAL CGx C 13 20.657 . A 21 VAL N N 15 119.526 . A 22 MET H H 1 8.460 . A 22 MET HA H 1 4.262 . A 22 MET HBy H 1 2.222 . A 22 MET HBx H 1 2.131 . A 22 MET HGy H 1 2.763 . A 22 MET HGx H 1 2.626 . A 22 MET CA C 13 58.119 . A 22 MET CB C 13 32.052 . A 22 MET CG C 13 32.271 . A 22 MET N N 15 117.466 . A 23 ASN H H 1 7.970 . A 23 ASN HA H 1 4.583 . A 23 ASN HBy H 1 2.964 . A 23 ASN HBx H 1 2.865 . A 23 ASN HD2y H 1 7.651 . A 23 ASN HD2x H 1 6.730 . A 23 ASN CA C 13 55.430 . A 23 ASN CB C 13 39.086 . A 23 ASN N N 15 116.363 . A 23 ASN ND2 N 15 111.555 . A 24 LYS H H 1 7.958 . A 24 LYS HA H 1 4.280 . A 24 LYS HBy H 1 2.020 . A 24 LYS HBx H 1 1.915 . A 24 LYS HDx H 1 1.731 . A 24 LYS HGy H 1 1.745 . A 24 LYS HGx H 1 1.683 . A 24 LYS CA C 13 57.628 . A 24 LYS CB C 13 32.645 . A 24 LYS CD C 13 29.742 . A 24 LYS CG C 13 24.789 . A 24 LYS N N 15 119.461 . A 25 LEU H H 1 8.066 . A 25 LEU HA H 1 4.278 . A 25 LEU HBy H 1 1.836 . A 25 LEU HBx H 1 1.624 . A 25 LEU HDx% H 1 0.935 . A 25 LEU HDy% H 1 0.894 . A 25 LEU CA C 13 55.804 . A 25 LEU CB C 13 42.552 . A 25 LEU CDy C 13 24.642 . A 25 LEU CDx C 13 21.804 . A 25 LEU N N 15 119.553 . 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 2 VAL HB A 2 VAL HA 1.0 1.8 5.0 2 2 A 2 VAL HB A 2 VAL HA 1.0 1.8 2.8 3 3 A 2 VAL HA A 2 VAL HGx% 1.0 1.8 5.0 4 4 A 2 VAL HA A 2 VAL HGx% 1.0 1.8 5.0 5 5 A 2 VAL HB A 2 VAL HGx% 1.0 1.8 5.0 6 6 A 2 VAL HB A 2 VAL HGx% 1.0 1.8 5.0 7 7 A 2 VAL HA A 2 VAL HGy% 1.0 1.8 5.0 8 8 A 2 VAL HA A 2 VAL HGy% 1.0 1.8 5.0 9 9 A 2 VAL HB A 2 VAL HGy% 1.0 1.8 5.0 10 10 A 2 VAL HB A 2 VAL HGy% 1.0 1.8 5.0 11 11 A 2 VAL HGx% A 2 VAL H 1.0 1.8 5.0 12 12 A 2 VAL HGy% A 2 VAL H 1.0 1.8 5.0 13 13 A 3 VAL HA A 3 VAL HB 1.0 1.8 3.4 14 14 A 3 VAL HA A 3 VAL HB 1.0 1.8 5.0 15 15 A 3 VAL HA A 3 VAL HGx% 1.0 1.8 5.0 16 16 A 3 VAL HA A 3 VAL HGx% 1.0 1.8 5.0 17 17 A 3 VAL HB A 3 VAL HGx% 1.0 1.8 5.0 18 18 A 3 VAL HA A 3 VAL HGy% 1.0 1.8 5.0 19 19 A 3 VAL HA A 3 VAL HGy% 1.0 1.8 5.0 20 20 A 3 VAL HB A 3 VAL HGy% 1.0 1.8 5.0 21 21 A 3 VAL HGx% A 3 VAL HGy% 1.0 1.8 3.4 22 22 A 3 VAL HGx% A 3 VAL HGy% 1.0 1.8 3.4 23 23 A 3 VAL HA A 3 VAL H 1.0 1.8 2.8 24 24 A 3 VAL HA A 3 VAL H 1.0 1.8 3.4 25 25 A 3 VAL HB A 3 VAL H 1.0 1.8 2.8 26 26 A 3 VAL HB A 3 VAL H 1.0 1.8 3.4 27 27 A 3 VAL HGx% A 3 VAL H 1.0 1.8 5.0 28 28 A 3 VAL HGx% A 3 VAL H 1.0 1.8 5.0 29 29 A 3 VAL HGy% A 3 VAL H 1.0 1.8 5.0 30 30 A 3 VAL HGy% A 3 VAL H 1.0 1.8 5.0 31 31 A 4 ASP HA A 4 ASP HBx 1.0 1.8 5.0 32 32 A 4 ASP HA A 4 ASP HBx 1.0 1.8 5.0 33 33 A 4 ASP HA A 4 ASP HBy 1.0 1.8 3.4 34 34 A 4 ASP HA A 4 ASP HBy 1.0 1.8 5.0 35 35 A 4 ASP HBx A 4 ASP HBy 1.0 1.8 2.8 36 36 A 4 ASP HBx A 4 ASP HBy 1.0 1.8 2.8 37 37 A 4 ASP HA A 4 ASP H 1.0 1.8 3.4 38 38 A 4 ASP HA A 4 ASP H 1.0 1.8 5.0 39 39 A 4 ASP HBx A 4 ASP H 1.0 1.8 3.4 40 40 A 4 ASP HBx A 4 ASP H 1.0 1.8 3.4 41 41 A 4 ASP HBy A 4 ASP H 1.0 1.8 5.0 42 42 A 4 ASP HBy A 4 ASP H 1.0 1.8 5.0 43 43 A 5 ILE HB A 5 ILE HA 1.0 1.8 3.4 44 44 A 5 ILE HB A 5 ILE HA 1.0 1.8 3.4 45 45 A 5 ILE HA A 5 ILE HD1% 1.0 1.8 5.0 46 46 A 5 ILE HA A 5 ILE HD1% 1.0 1.8 5.0 47 47 A 5 ILE HB A 5 ILE HD1% 1.0 1.8 5.0 48 48 A 5 ILE HB A 5 ILE HD1% 1.0 1.8 5.0 49 49 A 5 ILE HA A 5 ILE HG1x 1.0 1.8 5.0 50 50 A 5 ILE HA A 5 ILE HG1x 1.0 1.8 3.4 51 51 A 5 ILE HB A 5 ILE HG1x 1.0 1.8 5.0 52 52 A 5 ILE HB A 5 ILE HG1x 1.0 1.8 5.0 53 53 A 5 ILE HD1% A 5 ILE HG1x 1.0 1.8 5.0 54 54 A 5 ILE HD1% A 5 ILE HG1x 1.0 1.8 5.0 55 55 A 5 ILE HA A 5 ILE HG1y 1.0 1.8 3.4 56 56 A 5 ILE HA A 5 ILE HG1y 1.0 1.8 5.0 57 57 A 5 ILE HB A 5 ILE HG1y 1.0 1.8 5.0 58 58 A 5 ILE HB A 5 ILE HG1y 1.0 1.8 5.0 59 59 A 5 ILE HD1% A 5 ILE HG1y 1.0 1.8 5.0 60 60 A 5 ILE HD1% A 5 ILE HG1y 1.0 1.8 5.0 61 61 A 5 ILE HG1x A 5 ILE HG1y 1.0 1.8 2.8 62 62 A 5 ILE HG1x A 5 ILE HG1y 1.0 1.8 2.8 63 63 A 5 ILE HA A 5 ILE HG2% 1.0 1.8 3.4 64 64 A 5 ILE HA A 5 ILE HG2% 1.0 1.8 5.0 65 65 A 5 ILE HB A 5 ILE HG2% 1.0 1.8 5.0 66 66 A 5 ILE HB A 5 ILE HG2% 1.0 1.8 5.0 67 67 A 5 ILE HG1x A 5 ILE HG2% 1.0 1.8 5.0 68 68 A 5 ILE HG1x A 5 ILE HG2% 1.0 1.8 5.0 69 69 A 5 ILE HG1y A 5 ILE HG2% 1.0 1.8 5.0 70 70 A 5 ILE HG1y A 5 ILE HG2% 1.0 1.8 5.0 71 71 A 5 ILE HA A 5 ILE H 1.0 1.8 3.4 72 72 A 5 ILE HB A 5 ILE H 1.0 1.8 2.8 73 73 A 5 ILE HB A 5 ILE H 1.0 1.8 3.4 74 74 A 5 ILE HD1% A 5 ILE H 1.0 1.8 5.0 75 75 A 5 ILE HD1% A 5 ILE H 1.0 1.8 5.0 76 76 A 5 ILE HG1x A 5 ILE H 1.0 1.8 5.0 77 77 A 5 ILE HG1x A 5 ILE H 1.0 1.8 3.4 78 78 A 5 ILE HG1y A 5 ILE H 1.0 1.8 5.0 79 79 A 5 ILE HG1y A 5 ILE H 1.0 1.8 5.0 80 80 A 5 ILE HG2% A 5 ILE H 1.0 1.8 5.0 81 81 A 5 ILE HG2% A 5 ILE H 1.0 1.8 5.0 82 82 A 6 LEU HBy A 6 LEU HA 1.0 1.8 5.0 83 83 A 6 LEU HBy A 6 LEU HBx 1.0 1.8 2.8 84 84 A 6 LEU HBy A 6 LEU HBx 1.0 1.8 2.8 85 85 A 6 LEU HBx A 6 LEU HDx% 1.0 1.8 5.0 86 86 A 6 LEU HBy A 6 LEU HDx% 1.0 1.8 5.0 87 87 A 6 LEU HBy A 6 LEU HDx% 1.0 1.8 5.0 88 88 A 6 LEU HA A 6 LEU HDy% 1.0 1.8 5.0 89 89 A 6 LEU HA A 6 LEU HDy% 1.0 1.8 5.0 90 90 A 6 LEU HBy A 6 LEU HDy% 1.0 1.8 5.0 91 91 A 6 LEU HA A 6 LEU H 1.0 1.8 3.4 92 92 A 6 LEU HA A 6 LEU H 1.0 1.8 3.4 93 93 A 6 LEU HBx A 6 LEU H 1.0 2.4 3.4 94 94 A 6 LEU HBx A 6 LEU H 1.0 1.8 5.0 95 95 A 6 LEU HBy A 6 LEU H 1.0 1.8 5.0 96 96 A 6 LEU HBy A 6 LEU H 1.0 1.8 5.0 97 97 A 6 LEU HDx% A 6 LEU H 1.0 1.8 5.0 98 98 A 6 LEU HDx% A 6 LEU H 1.0 1.8 5.0 99 99 A 6 LEU HDy% A 6 LEU H 1.0 1.8 5.0 100 100 A 6 LEU HDy% A 6 LEU H 1.0 1.8 5.0 101 101 A 6 LEU H A 6 LEU HG 1.0 1.8 3.4 102 102 A 6 LEU H A 6 LEU HG 1.0 2.4 3.4 103 103 A 7 LYS HA A 7 LYS HBx 1.0 1.8 3.4 104 104 A 7 LYS HA A 7 LYS HBy 1.0 1.8 3.4 105 105 A 7 LYS HA A 7 LYS HDy 1.0 1.8 5.0 106 106 A 7 LYS HA A 7 LYS HDy 1.0 1.8 5.0 107 107 A 7 LYS HDy A 7 LYS HEx 1.0 1.8 5.0 108 108 A 7 LYS HDy A 7 LYS HEx 1.0 1.8 5.0 109 109 A 7 LYS HDy A 7 LYS HEy 1.0 1.8 5.0 110 110 A 7 LYS HDy A 7 LYS HEy 1.0 1.8 5.0 111 111 A 7 LYS HA A 7 LYS HGy 1.0 1.8 3.4 112 112 A 7 LYS HA A 7 LYS HGy 1.0 1.8 5.0 113 113 A 7 LYS HBx A 7 LYS HGy 1.0 1.8 3.4 114 114 A 7 LYS HBy A 7 LYS HGy 1.0 1.8 5.0 115 115 A 7 LYS HBy A 7 LYS HGy 1.0 1.8 5.0 116 116 A 7 LYS HDy A 7 LYS HGy 1.0 1.8 2.8 117 117 A 7 LYS HDy A 7 LYS HGy 1.0 1.8 2.8 118 118 A 7 LYS HEy A 7 LYS HGy 1.0 1.8 5.0 119 119 A 7 LYS HEy A 7 LYS HGy 1.0 1.8 5.0 120 120 A 7 LYS HA A 7 LYS H 1.0 1.8 3.4 121 121 A 7 LYS HA A 7 LYS H 1.0 1.8 3.4 122 122 A 7 LYS HBx A 7 LYS H 1.0 1.8 3.4 123 123 A 7 LYS HBx A 7 LYS H 1.0 2.4 3.4 124 124 A 7 LYS HBy A 7 LYS H 1.0 1.8 3.4 125 125 A 7 LYS HBy A 7 LYS H 1.0 2.4 3.4 126 126 A 7 LYS HDy A 7 LYS H 1.0 1.8 2.8 127 127 A 7 LYS HDy A 7 LYS H 1.0 1.8 5.0 128 128 A 7 LYS HGy A 7 LYS H 1.0 1.8 5.0 129 129 A 7 LYS HGy A 7 LYS H 1.0 1.8 5.0 130 130 A 8 GLY H A 8 GLY HAx 1.0 1.8 2.8 131 131 A 8 GLY H A 8 GLY HAx 1.0 1.8 2.8 132 132 A 8 GLY H A 8 GLY HAy 1.0 1.8 5.0 133 133 A 8 GLY H A 8 GLY HAy 1.0 1.8 5.0 134 134 A 9 ALA HA A 9 ALA HB% 1.0 1.8 5.0 135 135 A 9 ALA HA A 9 ALA HB% 1.0 1.8 5.0 136 136 A 9 ALA HA A 9 ALA H 1.0 1.8 2.8 137 137 A 9 ALA HA A 9 ALA H 1.0 1.8 3.4 138 138 A 9 ALA HB% A 9 ALA H 1.0 1.8 3.4 139 139 A 9 ALA HB% A 9 ALA H 1.0 1.8 3.4 140 140 A 10 ALA HA A 10 ALA HB% 1.0 1.8 5.0 141 141 A 10 ALA HA A 10 ALA H 1.0 1.8 2.8 142 142 A 10 ALA HA A 10 ALA H 1.0 1.8 2.8 143 143 A 10 ALA HB% A 10 ALA H 1.0 1.8 2.8 144 144 A 10 ALA HB% A 10 ALA H 1.0 1.8 3.4 145 145 A 11 LYS HBx A 11 LYS HA 1.0 1.8 2.8 146 146 A 11 LYS HBx A 11 LYS HA 1.0 1.8 2.8 147 147 A 11 LYS HA A 11 LYS HBy 1.0 1.8 3.4 148 148 A 11 LYS HBx A 11 LYS HDx 1.0 1.8 2.8 149 149 A 11 LYS HBx A 11 LYS HDx 1.0 1.8 2.8 150 150 A 11 LYS HA A 11 LYS HDy 1.0 1.8 3.4 151 151 A 11 LYS HBx A 11 LYS HDy 1.0 1.8 3.4 152 152 A 11 LYS HBx A 11 LYS HDy 1.0 1.8 3.4 153 153 A 11 LYS HBy A 11 LYS HDy 1.0 1.8 3.4 154 154 A 11 LYS HBy A 11 LYS HDy 1.0 1.8 3.4 155 155 A 11 LYS HBx A 11 LYS HEx 1.0 1.8 5.0 156 156 A 11 LYS HDy A 11 LYS HEx 1.0 1.8 5.0 157 157 A 11 LYS HBx A 11 LYS HEy 1.0 1.8 5.0 158 158 A 11 LYS HDy A 11 LYS HEy 1.0 1.8 5.0 159 159 A 11 LYS HA A 11 LYS HGy 1.0 2.4 3.4 160 160 A 11 LYS HBx A 11 LYS HGy 1.0 1.8 3.4 161 161 A 11 LYS HBx A 11 LYS HGy 1.0 1.8 3.4 162 162 A 11 LYS HDx A 11 LYS HGy 1.0 1.8 2.8 163 163 A 11 LYS HEx A 11 LYS HGy 1.0 1.8 5.0 164 164 A 11 LYS HA A 11 LYS H 1.0 1.8 2.8 165 165 A 11 LYS HA A 11 LYS H 1.0 1.8 2.8 166 166 A 11 LYS HBx A 11 LYS H 1.0 1.8 2.8 167 167 A 11 LYS HBx A 11 LYS H 1.0 1.8 2.8 168 168 A 11 LYS HDy A 11 LYS H 1.0 1.8 5.0 169 169 A 11 LYS HGy A 11 LYS H 1.0 1.8 5.0 170 170 A 12 ASP HBx A 12 ASP HA 1.0 1.8 5.0 171 171 A 12 ASP HBx A 12 ASP HA 1.0 1.8 3.4 172 172 A 12 ASP HA A 12 ASP HBy 1.0 1.8 5.0 173 173 A 12 ASP HA A 12 ASP HBy 1.0 1.8 5.0 174 174 A 12 ASP HA A 12 ASP H 1.0 1.8 5.0 175 175 A 12 ASP HA A 12 ASP H 1.0 1.8 3.4 176 176 A 12 ASP HBx A 12 ASP H 1.0 1.8 3.4 177 177 A 12 ASP HBx A 12 ASP H 1.0 1.8 3.4 178 178 A 12 ASP HBy A 12 ASP H 1.0 1.8 3.4 179 179 A 12 ASP HBy A 12 ASP H 1.0 1.8 5.0 180 180 A 13 ILE HA A 13 ILE HB 1.0 1.8 5.0 181 181 A 13 ILE HA A 13 ILE HB 1.0 1.8 5.0 182 182 A 13 ILE HA A 13 ILE HD1% 1.0 1.8 5.0 183 183 A 13 ILE HB A 13 ILE HD1% 1.0 1.8 5.0 184 184 A 13 ILE HA A 13 ILE HG1x 1.0 1.8 3.4 185 185 A 13 ILE HA A 13 ILE HG1x 1.0 1.8 5.0 186 186 A 13 ILE HB A 13 ILE HG1x 1.0 1.8 5.0 187 187 A 13 ILE HA A 13 ILE HG1y 1.0 1.8 5.0 188 188 A 13 ILE HA A 13 ILE HG1y 1.0 1.8 3.4 189 189 A 13 ILE HB A 13 ILE HG1y 1.0 1.8 5.0 190 190 A 13 ILE HB A 13 ILE HG1y 1.0 1.8 5.0 191 191 A 13 ILE HD1% A 13 ILE HG1y 1.0 1.8 5.0 192 192 A 13 ILE HD1% A 13 ILE HG1y 1.0 1.8 3.4 193 193 A 13 ILE HG1x A 13 ILE HG1y 1.0 1.8 2.8 194 194 A 13 ILE HG1x A 13 ILE HG1y 1.0 1.8 5.0 195 195 A 13 ILE HA A 13 ILE HG2% 1.0 1.8 5.0 196 196 A 13 ILE HB A 13 ILE HG2% 1.0 1.8 5.0 197 197 A 13 ILE HB A 13 ILE HG2% 1.0 1.8 5.0 198 198 A 13 ILE HG1x A 13 ILE HG2% 1.0 3.4 5.0 199 199 A 13 ILE HG1y A 13 ILE HG2% 1.0 1.8 5.0 200 200 A 13 ILE HG1y A 13 ILE HG2% 1.0 1.8 5.0 201 201 A 13 ILE HA A 13 ILE H 1.0 1.8 3.4 202 202 A 13 ILE HA A 13 ILE H 1.0 1.8 3.4 203 203 A 13 ILE HB A 13 ILE H 1.0 1.8 2.8 204 204 A 13 ILE HB A 13 ILE H 1.0 1.8 3.4 205 205 A 13 ILE HD1% A 13 ILE H 1.0 1.8 5.0 206 206 A 13 ILE HD1% A 13 ILE H 1.0 1.8 5.0 207 207 A 13 ILE HG1x A 13 ILE H 1.0 2.4 3.4 208 208 A 13 ILE HG1x A 13 ILE H 1.0 1.8 3.4 209 209 A 13 ILE HG1y A 13 ILE H 1.0 1.8 5.0 210 210 A 13 ILE HG1y A 13 ILE H 1.0 1.8 5.0 211 211 A 13 ILE HG2% A 13 ILE H 1.0 1.8 5.0 212 212 A 13 ILE HG2% A 13 ILE H 1.0 1.8 5.0 213 213 A 14 ALA HA A 14 ALA HB% 1.0 1.8 2.8 214 214 A 14 ALA HA A 14 ALA H 1.0 1.8 2.8 215 215 A 14 ALA HA A 14 ALA H 1.0 1.8 2.8 216 216 A 14 ALA HB% A 14 ALA H 1.0 1.8 3.4 217 217 A 14 ALA HB% A 14 ALA H 1.0 1.8 3.4 218 218 A 15 GLY H A 15 GLY HAx 1.0 1.8 2.8 219 219 A 15 GLY H A 15 GLY HAx 1.0 1.8 3.4 220 220 A 15 GLY H A 15 GLY HAy 1.0 1.8 3.4 221 221 A 15 GLY H A 15 GLY HAy 1.0 1.8 5.0 222 222 A 16 HIS HBy A 16 HIS HA 1.0 1.8 3.4 223 223 A 16 HIS HBy A 16 HIS HA 1.0 1.8 3.4 224 224 A 16 HIS HA A 16 HIS HD2 1.0 1.8 5.0 225 225 A 16 HIS HA A 16 HIS HD2 1.0 1.8 5.0 226 226 A 16 HIS HBy A 16 HIS HD2 1.0 1.8 3.4 227 227 A 16 HIS HBy A 16 HIS HD2 1.0 1.8 5.0 228 228 A 16 HIS HA A 16 HIS H 1.0 1.8 3.4 229 229 A 16 HIS HA A 16 HIS H 1.0 1.8 5.0 230 230 A 16 HIS HBy A 16 HIS H 1.0 1.8 2.8 231 231 A 16 HIS HBy A 16 HIS H 1.0 1.8 3.4 232 232 A 16 HIS HD2 A 16 HIS H 1.0 1.8 5.0 233 233 A 17 LEU HBx A 17 LEU HA 1.0 1.8 5.0 234 234 A 17 LEU HBx A 17 LEU HA 1.0 1.8 2.8 235 235 A 17 LEU HA A 17 LEU HBy 1.0 1.8 2.8 236 236 A 17 LEU HA A 17 LEU HDx% 1.0 1.8 5.0 237 237 A 17 LEU HBy A 17 LEU HDx% 1.0 1.8 5.0 238 238 A 17 LEU HA A 17 LEU HDy% 1.0 1.8 5.0 239 239 A 17 LEU HA A 17 LEU HDy% 1.0 1.8 5.0 240 240 A 17 LEU HDx% A 17 LEU HG 1.0 1.8 5.0 241 241 A 17 LEU HDy% A 17 LEU HG 1.0 1.8 5.0 242 242 A 17 LEU HDy% A 17 LEU HG 1.0 1.8 5.0 243 243 A 17 LEU HA A 17 LEU H 1.0 1.8 2.8 244 244 A 17 LEU HA A 17 LEU H 1.0 1.8 3.4 245 245 A 17 LEU HBx A 17 LEU H 1.0 1.8 2.8 246 246 A 17 LEU HBx A 17 LEU H 1.0 1.8 3.4 247 247 A 17 LEU HBy A 17 LEU H 1.0 1.8 3.4 248 248 A 17 LEU HBy A 17 LEU H 1.0 1.8 5.0 249 249 A 17 LEU HDx% A 17 LEU H 1.0 1.8 5.0 250 250 A 17 LEU HDx% A 17 LEU H 1.0 1.8 5.0 251 251 A 17 LEU HDy% A 17 LEU H 1.0 1.8 5.0 252 252 A 17 LEU HG A 17 LEU H 1.0 1.8 5.0 253 253 A 18 ALA HA A 18 ALA HB% 1.0 1.8 3.4 254 254 A 18 ALA HA A 18 ALA HB% 1.0 1.8 5.0 255 255 A 18 ALA HA A 18 ALA H 1.0 1.8 3.4 256 256 A 18 ALA HA A 18 ALA H 1.0 1.8 3.4 257 257 A 18 ALA HB% A 18 ALA H 1.0 1.8 3.4 258 258 A 18 ALA HB% A 18 ALA H 1.0 1.8 3.4 259 259 A 19 SER HBx A 19 SER HA 1.0 1.8 3.4 260 260 A 19 SER HBx A 19 SER HA 1.0 1.8 2.8 261 261 A 19 SER HA A 19 SER HBy 1.0 1.8 2.8 262 262 A 19 SER HA A 19 SER H 1.0 1.8 2.8 263 263 A 19 SER HA A 19 SER H 1.0 1.8 2.8 264 264 A 19 SER HBx A 19 SER H 1.0 1.8 2.8 265 265 A 19 SER HBx A 19 SER H 1.0 1.8 3.4 266 266 A 19 SER HBy A 19 SER H 1.0 1.8 3.4 267 267 A 19 SER HBy A 19 SER H 1.0 2.4 3.4 268 268 A 20 LYS HA A 20 LYS HBx 1.0 1.8 5.0 269 269 A 20 LYS HA A 20 LYS HBx 1.0 1.8 3.4 270 270 A 20 LYS HA A 20 LYS HBy 1.0 1.8 5.0 271 271 A 20 LYS HA A 20 LYS HBy 1.0 1.8 3.4 272 272 A 20 LYS HA A 20 LYS HDx 1.0 1.8 5.0 273 273 A 20 LYS HA A 20 LYS HEx 1.0 1.8 5.0 274 274 A 20 LYS HA A 20 LYS HEy 1.0 1.8 5.0 275 275 A 20 LYS HA A 20 LYS HGx 1.0 1.8 3.4 276 276 A 20 LYS HA A 20 LYS HGy 1.0 1.8 3.4 277 277 A 20 LYS HA A 20 LYS HGy 1.0 1.8 5.0 278 278 A 20 LYS HA A 20 LYS H 1.0 1.8 2.8 279 279 A 20 LYS HA A 20 LYS H 1.0 1.8 2.8 280 280 A 20 LYS HBx A 20 LYS H 1.0 1.8 5.0 281 281 A 20 LYS HBx A 20 LYS H 1.0 1.8 5.0 282 282 A 20 LYS HBy A 20 LYS H 1.0 1.8 2.8 283 283 A 20 LYS HBy A 20 LYS H 1.0 1.8 3.4 284 284 A 20 LYS HDx A 20 LYS H 1.0 1.8 5.0 285 285 A 20 LYS H A 20 LYS HDy 1.0 1.8 5.0 286 286 A 20 LYS HGy A 20 LYS H 1.0 1.8 5.0 287 287 A 21 VAL HB A 21 VAL HA 1.0 1.8 5.0 288 288 A 21 VAL HB A 21 VAL HA 1.0 1.8 3.4 289 289 A 21 VAL HA A 21 VAL HGx% 1.0 1.8 2.8 290 290 A 21 VAL HA A 21 VAL HGx% 1.0 1.8 3.4 291 291 A 21 VAL HB A 21 VAL HGx% 1.0 1.8 5.0 292 292 A 21 VAL HB A 21 VAL HGx% 1.0 1.8 5.0 293 293 A 21 VAL HA A 21 VAL HGy% 1.0 1.8 3.4 294 294 A 21 VAL HA A 21 VAL HGy% 1.0 1.8 3.4 295 295 A 21 VAL HB A 21 VAL HGy% 1.0 1.8 5.0 296 296 A 21 VAL HB A 21 VAL HGy% 1.0 1.8 5.0 297 297 A 21 VAL HA A 21 VAL H 1.0 1.8 5.0 298 298 A 21 VAL HA A 21 VAL H 1.0 1.8 2.8 299 299 A 21 VAL HB A 21 VAL H 1.0 1.8 3.4 300 300 A 21 VAL HB A 21 VAL H 1.0 1.8 2.8 301 301 A 21 VAL HGx% A 21 VAL H 1.0 1.8 5.0 302 302 A 21 VAL HGx% A 21 VAL H 1.0 1.8 5.0 303 303 A 21 VAL HGy% A 21 VAL H 1.0 1.8 5.0 304 304 A 21 VAL HGy% A 21 VAL H 1.0 1.8 5.0 305 305 A 22 MET HA A 22 MET HBx 1.0 1.8 2.8 306 306 A 22 MET HA A 22 MET HBx 1.0 1.8 3.4 307 307 A 22 MET HA A 22 MET HBy 1.0 1.8 5.0 308 308 A 22 MET HA A 22 MET HBy 1.0 1.8 2.8 309 309 A 22 MET HA A 22 MET HGx 1.0 1.8 5.0 310 310 A 22 MET HA A 22 MET HGx 1.0 1.8 5.0 311 311 A 22 MET HBx A 22 MET HGx 1.0 1.8 3.4 312 312 A 22 MET HBx A 22 MET HGx 1.0 1.8 3.4 313 313 A 22 MET HBy A 22 MET HGx 1.0 1.8 5.0 314 314 A 22 MET HBy A 22 MET HGx 1.0 1.8 5.0 315 315 A 22 MET HA A 22 MET HGy 1.0 1.8 5.0 316 316 A 22 MET HA A 22 MET HGy 1.0 1.8 5.0 317 317 A 22 MET HBx A 22 MET HGy 1.0 1.8 3.4 318 318 A 22 MET HBx A 22 MET HGy 1.0 1.8 5.0 319 319 A 22 MET HBy A 22 MET HGy 1.0 1.8 5.0 320 320 A 22 MET HBy A 22 MET HGy 1.0 1.8 5.0 321 321 A 22 MET HGx A 22 MET HGy 1.0 1.8 2.8 322 322 A 22 MET HGx A 22 MET HGy 1.0 1.8 2.8 323 323 A 22 MET HA A 22 MET H 1.0 1.8 3.4 324 324 A 22 MET HA A 22 MET H 1.0 1.8 2.8 325 325 A 22 MET HBx A 22 MET H 1.0 1.8 3.4 326 326 A 22 MET HBx A 22 MET H 1.0 1.8 3.4 327 327 A 22 MET HBy A 22 MET H 1.0 1.8 3.4 328 328 A 22 MET HBy A 22 MET H 1.0 1.8 2.8 329 329 A 22 MET HGx A 22 MET H 1.0 1.8 5.0 330 330 A 22 MET HGx A 22 MET H 1.0 1.8 5.0 331 331 A 22 MET HGy A 22 MET H 1.0 1.8 5.0 332 332 A 22 MET HGy A 22 MET H 1.0 1.8 5.0 333 333 A 23 ASN HBx A 23 ASN HA 1.0 1.8 3.4 334 334 A 23 ASN HBx A 23 ASN HA 1.0 1.8 2.8 335 335 A 23 ASN HA A 23 ASN HBy 1.0 1.8 5.0 336 336 A 23 ASN HA A 23 ASN HBy 1.0 1.8 3.4 337 337 A 23 ASN HBx A 23 ASN HD2y 1.0 1.8 5.0 338 337 A 23 ASN HBx A 23 ASN HD2x 1.0 1.8 5.0 339 338 A 23 ASN HBx A 23 ASN HD2y 1.0 1.8 5.0 340 338 A 23 ASN HBx A 23 ASN HD2x 1.0 1.8 5.0 341 339 A 23 ASN HBy A 23 ASN HD2y 1.0 1.8 5.0 342 339 A 23 ASN HBy A 23 ASN HD2x 1.0 1.8 5.0 343 340 A 23 ASN HBy A 23 ASN HD2y 1.0 1.8 5.0 344 340 A 23 ASN HBy A 23 ASN HD2x 1.0 1.8 5.0 345 341 A 23 ASN HBx A 23 ASN HD2x 1.0 1.8 5.0 346 342 A 23 ASN HBx A 23 ASN HD2x 1.0 1.8 5.0 347 343 A 23 ASN HBy A 23 ASN HD2x 1.0 1.8 5.0 348 344 A 23 ASN HBy A 23 ASN HD2x 1.0 1.8 5.0 349 345 A 23 ASN HD2x A 23 ASN HD2y 1.0 1.8 2.8 350 346 A 23 ASN HD2x A 23 ASN HD2y 1.0 1.8 2.8 351 347 A 23 ASN HA A 23 ASN H 1.0 1.8 5.0 352 348 A 23 ASN HA A 23 ASN H 1.0 1.8 2.8 353 349 A 23 ASN HBx A 23 ASN H 1.0 1.8 5.0 354 350 A 23 ASN HBx A 23 ASN H 1.0 1.8 2.8 355 351 A 23 ASN HBy A 23 ASN H 1.0 1.8 5.0 356 352 A 23 ASN HBy A 23 ASN H 1.0 1.8 2.8 357 353 A 24 LYS HBx A 24 LYS HA 1.0 1.8 3.4 358 354 A 24 LYS HBx A 24 LYS HA 1.0 1.8 3.4 359 355 A 24 LYS HA A 24 LYS HGx 1.0 1.8 5.0 360 356 A 24 LYS HGx A 24 LYS HBy 1.0 1.8 2.8 361 357 A 24 LYS HA A 24 LYS H 1.0 1.8 2.8 362 358 A 24 LYS HA A 24 LYS H 1.0 1.8 2.8 363 359 A 24 LYS HBx A 24 LYS H 1.0 1.8 2.8 364 360 A 24 LYS HBx A 24 LYS H 1.0 1.8 2.8 365 361 A 25 LEU HBx A 25 LEU HA 1.0 1.8 3.4 366 362 A 25 LEU HBx A 25 LEU HA 1.0 1.8 2.8 367 363 A 25 LEU HA A 25 LEU HBy 1.0 1.8 3.4 368 364 A 25 LEU HA A 25 LEU HBy 1.0 1.8 2.8 369 365 A 25 LEU HBx A 25 LEU HBy 1.0 1.8 2.8 370 366 A 25 LEU HBx A 25 LEU HBy 1.0 1.8 2.8 371 367 A 25 LEU HA A 25 LEU HDy% 1.0 1.8 3.4 372 368 A 25 LEU HA A 25 LEU HDy% 1.0 1.8 5.0 373 369 A 25 LEU HA A 25 LEU H 1.0 1.8 2.8 374 370 A 25 LEU HA A 25 LEU H 1.0 1.8 2.8 375 371 A 25 LEU HBx A 25 LEU H 1.0 1.8 2.8 376 372 A 25 LEU HBx A 25 LEU H 1.0 1.8 2.8 377 373 A 25 LEU HBy A 25 LEU H 1.0 1.8 5.0 378 374 A 25 LEU HBy A 25 LEU H 1.0 1.8 3.4 379 375 A 25 LEU H A 25 LEU HDx% 1.0 1.8 5.0 380 376 A 25 LEU HDy% A 25 LEU H 1.0 1.8 5.0 381 377 A 2 VAL HA A 3 VAL H 1.0 1.8 5.0 382 378 A 2 VAL HA A 3 VAL H 1.0 1.8 5.0 383 379 A 3 VAL HA A 4 ASP H 1.0 1.8 5.0 384 380 A 3 VAL HA A 4 ASP H 1.0 1.8 5.0 385 381 A 3 VAL HB A 4 ASP H 1.0 1.8 5.0 386 382 A 3 VAL HB A 4 ASP H 1.0 1.8 5.0 387 383 A 3 VAL H A 4 ASP H 1.0 1.8 3.4 388 384 A 3 VAL H A 4 ASP H 1.0 1.8 3.4 389 385 A 4 ASP HA A 5 ILE H 1.0 1.8 5.0 390 386 A 4 ASP HA A 5 ILE H 1.0 1.8 5.0 391 387 A 4 ASP HBx A 5 ILE H 1.0 1.8 3.4 392 388 A 4 ASP HBx A 5 ILE H 1.0 1.8 5.0 393 389 A 4 ASP HBy A 5 ILE H 1.0 1.8 5.0 394 390 A 4 ASP HBy A 5 ILE H 1.0 1.8 5.0 395 391 A 4 ASP H A 5 ILE H 1.0 1.8 3.4 396 392 A 4 ASP H A 5 ILE H 1.0 1.8 3.4 397 393 A 5 ILE HA A 6 LEU H 1.0 1.8 3.4 398 394 A 5 ILE HA A 6 LEU H 1.0 1.8 5.0 399 395 A 5 ILE HB A 6 LEU H 1.0 1.8 3.4 400 396 A 5 ILE HB A 6 LEU H 1.0 1.8 3.4 401 397 A 5 ILE H A 6 LEU H 1.0 1.8 3.4 402 398 A 5 ILE H A 6 LEU H 1.0 1.8 3.4 403 399 A 6 LEU H A 7 LYS H 1.0 1.8 3.4 404 400 A 6 LEU H A 7 LYS H 1.0 1.8 3.4 405 401 A 7 LYS HA A 8 GLY H 1.0 1.8 5.0 406 402 A 7 LYS HA A 8 GLY H 1.0 1.8 5.0 407 403 A 7 LYS HBx A 8 GLY H 1.0 1.8 5.0 408 404 A 7 LYS HBx A 8 GLY H 1.0 1.8 5.0 409 405 A 7 LYS HBy A 8 GLY H 1.0 3.4 5.0 410 406 A 7 LYS HBy A 8 GLY H 1.0 1.8 5.0 411 407 A 7 LYS H A 8 GLY H 1.0 1.8 3.4 412 408 A 7 LYS H A 8 GLY H 1.0 1.8 3.4 413 409 A 8 GLY HAx A 9 ALA H 1.0 1.8 5.0 414 410 A 8 GLY HAx A 9 ALA H 1.0 1.8 5.0 415 411 A 8 GLY HAy A 9 ALA H 1.0 1.8 5.0 416 412 A 8 GLY HAy A 9 ALA H 1.0 1.8 5.0 417 413 A 8 GLY H A 9 ALA H 1.0 1.8 2.8 418 414 A 8 GLY H A 9 ALA H 1.0 1.8 2.8 419 415 A 9 ALA HA A 10 ALA H 1.0 1.8 5.0 420 416 A 9 ALA HA A 10 ALA H 1.0 1.8 5.0 421 417 A 9 ALA H A 10 ALA H 1.0 1.8 2.8 422 418 A 9 ALA H A 10 ALA H 1.0 1.8 2.8 423 419 A 10 ALA HB% A 11 LYS H 1.0 1.8 5.0 424 420 A 10 ALA H A 11 LYS H 1.0 1.8 3.4 425 421 A 10 ALA H A 11 LYS H 1.0 1.8 2.8 426 422 A 11 LYS HA A 12 ASP H 1.0 1.8 5.0 427 423 A 11 LYS HA A 12 ASP H 1.0 1.8 5.0 428 424 A 11 LYS HBx A 12 ASP H 1.0 1.8 5.0 429 425 A 11 LYS HBx A 12 ASP H 1.0 1.8 2.8 430 426 A 11 LYS H A 12 ASP H 1.0 1.8 2.8 431 427 A 11 LYS H A 12 ASP H 1.0 1.8 2.8 432 428 A 12 ASP HA A 13 ILE H 1.0 1.8 5.0 433 429 A 12 ASP HA A 13 ILE H 1.0 1.8 5.0 434 430 A 12 ASP HBx A 13 ILE H 1.0 1.8 5.0 435 431 A 12 ASP HBx A 13 ILE H 1.0 1.8 5.0 436 432 A 12 ASP HBy A 13 ILE H 1.0 1.8 5.0 437 433 A 12 ASP HBy A 13 ILE H 1.0 1.8 5.0 438 434 A 12 ASP H A 13 ILE H 1.0 1.8 3.4 439 435 A 12 ASP H A 13 ILE H 1.0 1.8 2.8 440 436 A 13 ILE HA A 14 ALA H 1.0 1.8 5.0 441 437 A 13 ILE HA A 14 ALA H 1.0 1.8 5.0 442 438 A 13 ILE HB A 14 ALA H 1.0 1.8 2.8 443 439 A 13 ILE HD1% A 14 ALA H 1.0 1.8 5.0 444 440 A 13 ILE H A 14 ALA H 1.0 1.8 2.8 445 441 A 13 ILE H A 14 ALA H 1.0 1.8 2.8 446 442 A 14 ALA HA A 15 GLY H 1.0 1.8 5.0 447 443 A 14 ALA HA A 15 GLY H 1.0 1.8 5.0 448 444 A 14 ALA HB% A 15 GLY H 1.0 1.8 5.0 449 445 A 14 ALA HB% A 15 GLY H 1.0 1.8 5.0 450 446 A 14 ALA H A 15 GLY H 1.0 1.8 3.4 451 447 A 14 ALA H A 15 GLY H 1.0 1.8 2.8 452 448 A 15 GLY HAx A 16 HIS H 1.0 1.8 5.0 453 449 A 15 GLY HAx A 16 HIS H 1.0 1.8 5.0 454 450 A 15 GLY H A 16 HIS H 1.0 1.8 2.8 455 451 A 16 HIS HA A 17 LEU H 1.0 1.8 5.0 456 452 A 16 HIS HA A 17 LEU H 1.0 1.8 5.0 457 453 A 16 HIS HBy A 17 LEU H 1.0 1.8 3.4 458 454 A 16 HIS HBy A 17 LEU H 1.0 1.8 3.4 459 455 A 16 HIS H A 17 LEU H 1.0 1.8 3.4 460 456 A 16 HIS H A 17 LEU H 1.0 1.8 2.8 461 457 A 17 LEU HA A 18 ALA H 1.0 1.8 5.0 462 458 A 17 LEU HBx A 18 ALA H 1.0 1.8 5.0 463 459 A 17 LEU HBx A 18 ALA H 1.0 1.8 5.0 464 460 A 17 LEU HBy A 18 ALA H 1.0 1.8 5.0 465 461 A 17 LEU HBy A 18 ALA H 1.0 1.8 5.0 466 462 A 17 LEU H A 18 ALA H 1.0 1.8 2.8 467 463 A 17 LEU H A 18 ALA H 1.0 1.8 2.8 468 464 A 18 ALA HB% A 19 SER H 1.0 1.8 5.0 469 465 A 18 ALA H A 19 SER H 1.0 1.8 2.8 470 466 A 18 ALA H A 19 SER H 1.0 1.8 3.4 471 467 A 19 SER HBx A 20 LYS H 1.0 1.8 5.0 472 468 A 19 SER HBx A 20 LYS H 1.0 1.8 5.0 473 469 A 19 SER HBy A 20 LYS H 1.0 1.8 5.0 474 470 A 19 SER H A 20 LYS H 1.0 1.8 2.8 475 471 A 19 SER H A 20 LYS H 1.0 1.8 2.8 476 472 A 20 LYS HA A 21 VAL H 1.0 1.8 5.0 477 473 A 20 LYS HA A 21 VAL H 1.0 1.8 5.0 478 474 A 20 LYS HBx A 21 VAL H 1.0 1.8 3.4 479 475 A 20 LYS HBy A 21 VAL H 1.0 1.8 2.8 480 476 A 20 LYS HBy A 21 VAL H 1.0 1.8 5.0 481 477 A 20 LYS H A 21 VAL H 1.0 1.8 2.8 482 478 A 20 LYS H A 21 VAL H 1.0 1.8 2.8 483 479 A 21 VAL HA A 22 MET H 1.0 1.8 3.4 484 480 A 21 VAL HA A 22 MET H 1.0 1.8 5.0 485 481 A 21 VAL H A 22 MET H 1.0 1.8 3.4 486 482 A 21 VAL H A 22 MET H 1.0 1.8 2.8 487 483 A 22 MET HA A 23 ASN H 1.0 1.8 5.0 488 484 A 22 MET HBx A 23 ASN H 1.0 1.8 3.4 489 485 A 22 MET HBx A 23 ASN H 1.0 1.8 5.0 490 486 A 22 MET HBy A 23 ASN H 1.0 1.8 2.8 491 487 A 22 MET HBy A 23 ASN H 1.0 1.8 5.0 492 488 A 22 MET HGx A 23 ASN H 1.0 1.8 5.0 493 489 A 22 MET HGy A 23 ASN H 1.0 1.8 5.0 494 490 A 22 MET H A 23 ASN H 1.0 1.8 2.8 495 491 A 22 MET H A 23 ASN H 1.0 1.8 2.8 496 492 A 24 LYS H A 25 LEU H 1.0 1.8 2.8 497 493 A 24 LYS H A 25 LEU H 1.0 1.8 2.8 498 494 A 2 VAL HA A 4 ASP H 1.0 1.8 5.0 499 495 A 2 VAL HA A 4 ASP H 1.0 1.8 5.0 500 496 A 2 VAL HA A 5 ILE H 1.0 1.8 3.4 501 497 A 3 VAL HA A 5 ILE H 1.0 1.8 5.0 502 498 A 3 VAL HA A 5 ILE H 1.0 1.8 5.0 503 499 A 3 VAL H A 5 ILE H 1.0 1.8 5.0 504 500 A 3 VAL HA A 6 LEU HBx 1.0 3.4 5.0 505 501 A 3 VAL HA A 6 LEU HBx 1.0 1.8 5.0 506 502 A 3 VAL HA A 6 LEU HBy 1.0 1.8 5.0 507 503 A 3 VAL HA A 6 LEU HDx% 1.0 1.8 5.0 508 504 A 3 VAL HA A 6 LEU H 1.0 1.8 5.0 509 505 A 3 VAL HA A 6 LEU H 1.0 1.8 5.0 510 506 A 4 ASP HA A 6 LEU H 1.0 1.8 5.0 511 507 A 4 ASP HA A 6 LEU H 1.0 1.8 5.0 512 508 A 4 ASP H A 6 LEU H 1.0 1.8 5.0 513 509 A 3 VAL HA A 7 LYS H 1.0 1.8 5.0 514 510 A 3 VAL HA A 7 LYS H 1.0 1.8 5.0 515 511 A 4 ASP HA A 7 LYS HBx 1.0 1.8 5.0 516 512 A 4 ASP HA A 7 LYS HBx 1.0 1.8 5.0 517 513 A 4 ASP HA A 7 LYS HBy 1.0 1.8 5.0 518 514 A 4 ASP HA A 7 LYS H 1.0 1.8 5.0 519 515 A 4 ASP HA A 7 LYS H 1.0 1.8 5.0 520 516 A 5 ILE HA A 7 LYS H 1.0 1.8 5.0 521 517 A 5 ILE H A 7 LYS H 1.0 1.8 5.0 522 518 A 4 ASP HA A 8 GLY H 1.0 1.8 5.0 523 519 A 4 ASP HA A 8 GLY H 1.0 1.8 5.0 524 520 A 6 LEU HA A 9 ALA H 1.0 1.8 5.0 525 521 A 6 LEU HA A 9 ALA H 1.0 1.8 5.0 526 522 A 7 LYS HA A 9 ALA H 1.0 1.8 5.0 527 523 A 7 LYS HA A 10 ALA H 1.0 1.8 5.0 528 524 A 9 ALA HA A 11 LYS H 1.0 1.8 5.0 529 525 A 9 ALA HA A 11 LYS H 1.0 1.8 5.0 530 526 A 9 ALA HA A 12 ASP HBx 1.0 1.8 5.0 531 527 A 9 ALA HA A 12 ASP HBx 1.0 1.8 5.0 532 528 A 9 ALA HA A 12 ASP HBy 1.0 1.8 5.0 533 529 A 9 ALA HA A 12 ASP HBy 1.0 1.8 5.0 534 530 A 9 ALA HA A 12 ASP H 1.0 1.8 5.0 535 531 A 9 ALA HA A 12 ASP H 1.0 1.8 5.0 536 532 A 9 ALA HA A 13 ILE H 1.0 1.8 5.0 537 533 A 9 ALA HA A 13 ILE H 1.0 1.8 5.0 538 534 A 10 ALA HA A 13 ILE H 1.0 1.8 5.0 539 535 A 10 ALA HA A 13 ILE H 1.0 1.8 5.0 540 536 A 11 LYS HA A 13 ILE HG1y 1.0 1.8 5.0 541 537 A 11 LYS HA A 13 ILE HG2% 1.0 1.8 5.0 542 538 A 12 ASP HA A 14 ALA H 1.0 1.8 5.0 543 539 A 12 ASP HA A 15 GLY H 1.0 1.8 5.0 544 540 A 12 ASP HA A 15 GLY H 1.0 1.8 5.0 545 541 A 13 ILE HA A 15 GLY H 1.0 1.8 5.0 546 542 A 13 ILE HA A 15 GLY H 1.0 1.8 5.0 547 543 A 13 ILE HA A 16 HIS HBy 1.0 1.8 3.4 548 544 A 13 ILE HA A 16 HIS HBy 1.0 1.8 3.4 549 545 A 13 ILE HA A 16 HIS HD2 1.0 1.8 5.0 550 546 A 13 ILE HA A 16 HIS HD2 1.0 1.8 5.0 551 547 A 13 ILE HA A 16 HIS H 1.0 1.8 5.0 552 548 A 13 ILE HA A 16 HIS H 1.0 1.8 3.4 553 549 A 14 ALA HA A 16 HIS H 1.0 1.8 5.0 554 550 A 13 ILE HA A 17 LEU H 1.0 1.8 5.0 555 551 A 13 ILE HA A 17 LEU H 1.0 1.8 5.0 556 552 A 15 GLY H A 17 LEU H 1.0 1.8 5.0 557 553 A 15 GLY H A 17 LEU H 1.0 1.8 5.0 558 554 A 14 ALA HA A 18 ALA H 1.0 1.8 5.0 559 555 A 15 GLY HAx A 18 ALA HB% 1.0 1.8 5.0 560 556 A 16 HIS HA A 18 ALA H 1.0 1.8 5.0 561 557 A 16 HIS HA A 18 ALA H 1.0 1.8 5.0 562 558 A 16 HIS H A 18 ALA H 1.0 1.8 5.0 563 559 A 15 GLY HAx A 19 SER H 1.0 1.8 5.0 564 560 A 16 HIS HA A 19 SER H 1.0 1.8 5.0 565 561 A 16 HIS HA A 19 SER H 1.0 1.8 5.0 566 562 A 17 LEU H A 19 SER H 1.0 1.8 5.0 567 563 A 17 LEU HA A 20 LYS HBx 1.0 1.8 3.4 568 564 A 17 LEU HA A 20 LYS H 1.0 1.8 5.0 569 565 A 17 LEU HA A 20 LYS H 1.0 1.8 3.4 570 566 A 18 ALA H A 20 LYS H 1.0 1.8 5.0 571 567 A 18 ALA HA A 21 VAL HB 1.0 1.8 5.0 572 568 A 18 ALA HA A 21 VAL HB 1.0 1.8 5.0 573 569 A 18 ALA HA A 21 VAL H 1.0 1.8 5.0 574 570 A 18 ALA HA A 21 VAL H 1.0 1.8 5.0 575 571 A 18 ALA HA A 22 MET H 1.0 1.8 3.4 576 572 A 19 SER HA A 22 MET HBx 1.0 1.8 3.4 577 573 A 19 SER HA A 22 MET H 1.0 1.8 3.4 578 574 A 19 SER HA A 22 MET H 1.0 1.8 3.4 579 575 A 19 SER HA A 23 ASN H 1.0 1.8 5.0 580 576 A 20 LYS HA A 23 ASN HBx 1.0 1.8 5.0 581 577 A 20 LYS HA A 23 ASN HBy 1.0 1.8 5.0 582 578 A 20 LYS HA A 23 ASN H 1.0 1.8 5.0 583 579 A 21 VAL HA A 24 LYS HBx 1.0 1.8 3.4 584 580 A 21 VAL HA A 24 LYS HBx 1.0 1.8 3.4 585 581 A 21 VAL HA A 24 LYS H 1.0 1.8 3.4 586 582 A 21 VAL HA A 24 LYS H 1.0 1.8 5.0 587 583 A 21 VAL HA A 25 LEU H 1.0 1.8 5.0 588 584 A 21 VAL HA A 25 LEU H 1.0 1.8 5.0 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 -75.80 -41.54 PHI 2 2 A 2 VAL C A 3 VAL N A 3 VAL CA A 3 VAL C 1.0 -84.23 -48.61 PHI 3 3 A 3 VAL C A 4 ASP N A 4 ASP CA A 4 ASP C 1.0 -74.01 -49.23 PHI 4 4 A 4 ASP C A 5 ILE N A 5 ILE CA A 5 ILE C 1.0 -85.65 -46.71 PHI 5 5 A 5 ILE C A 6 LEU N A 6 LEU CA A 6 LEU C 1.0 -75.10 -55.34 PHI 6 6 A 6 LEU C A 7 LYS N A 7 LYS CA A 7 LYS C 1.0 -75.50 -49.32 PHI 7 7 A 7 LYS C A 8 GLY N A 8 GLY CA A 8 GLY C 1.0 -74.52 -50.76 PHI 8 8 A 8 GLY C A 9 ALA N A 9 ALA CA A 9 ALA C 1.0 -74.29 -48.61 PHI 9 9 A 9 ALA C A 10 ALA N A 10 ALA CA A 10 ALA C 1.0 -74.48 -51.32 PHI 10 10 A 10 ALA C A 11 LYS N A 11 LYS CA A 11 LYS C 1.0 -78.65 -50.11 PHI 11 11 A 11 LYS C A 12 ASP N A 12 ASP CA A 12 ASP C 1.0 -83.60 -43.60 PHI 12 12 A 12 ASP C A 13 ILE N A 13 ILE CA A 13 ILE C 1.0 -76.50 -57.32 PHI 13 13 A 13 ILE C A 14 ALA N A 14 ALA CA A 14 ALA C 1.0 -72.50 -47.60 PHI 14 14 A 14 ALA C A 15 GLY N A 15 GLY CA A 15 GLY C 1.0 -72.31 -50.63 PHI 15 15 A 15 GLY C A 16 HIS N A 16 HIS CA A 16 HIS C 1.0 -72.62 -53.64 PHI 16 16 A 16 HIS C A 17 LEU N A 17 LEU CA A 17 LEU C 1.0 -71.86 -57.26 PHI 17 17 A 17 LEU C A 18 ALA N A 18 ALA CA A 18 ALA C 1.0 -69.85 -55.57 PHI 18 18 A 18 ALA C A 19 SER N A 19 SER CA A 19 SER C 1.0 -96.39 -42.55 PHI 19 19 A 19 SER C A 20 LYS N A 20 LYS CA A 20 LYS C 1.0 -70.96 -56.34 PHI 20 20 A 20 LYS C A 21 VAL N A 21 VAL CA A 21 VAL C 1.0 -72.51 -58.19 PHI 21 21 A 21 VAL C A 22 MET N A 22 MET CA A 22 MET C 1.0 -71.24 -51.34 PHI 22 22 A 22 MET C A 23 ASN N A 23 ASN CA A 23 ASN C 1.0 -88.17 -47.61 PHI 23 23 A 23 ASN C A 24 LYS N A 24 LYS CA A 24 LYS C 1.0 -87.75 -47.69 PHI 24 24 A 2 VAL N A 2 VAL CA A 2 VAL C A 3 VAL N 1.0 -66.20 -29.08 PSI 25 25 A 3 VAL N A 3 VAL CA A 3 VAL C A 4 ASP N 1.0 -62.63 -22.63 PSI 26 26 A 4 ASP N A 4 ASP CA A 4 ASP C A 5 ILE N 1.0 -57.49 -23.57 PSI 27 27 A 5 ILE N A 5 ILE CA A 5 ILE C A 6 LEU N 1.0 -59.35 -28.13 PSI 28 28 A 6 LEU N A 6 LEU CA A 6 LEU C A 7 LYS N 1.0 -55.66 -18.16 PSI 29 29 A 7 LYS N A 7 LYS CA A 7 LYS C A 8 GLY N 1.0 -59.99 -31.05 PSI 30 30 A 8 GLY N A 8 GLY CA A 8 GLY C A 9 ALA N 1.0 -58.56 -25.52 PSI 31 31 A 9 ALA N A 9 ALA CA A 9 ALA C A 10 ALA N 1.0 -53.91 -30.61 PSI 32 32 A 10 ALA N A 10 ALA CA A 10 ALA C A 11 LYS N 1.0 -51.53 -32.25 PSI 33 33 A 11 LYS N A 11 LYS CA A 11 LYS C A 12 ASP N 1.0 -56.65 -25.01 PSI 34 34 A 12 ASP N A 12 ASP CA A 12 ASP C A 13 ILE N 1.0 -81.36 -1.36 PSI 35 35 A 13 ILE N A 13 ILE CA A 13 ILE C A 14 ALA N 1.0 -52.22 -31.30 PSI 36 36 A 14 ALA N A 14 ALA CA A 14 ALA C A 15 GLY N 1.0 -63.54 -20.70 PSI 37 37 A 15 GLY N A 15 GLY CA A 15 GLY C A 16 HIS N 1.0 -61.33 -31.17 PSI 38 38 A 16 HIS N A 16 HIS CA A 16 HIS C A 17 LEU N 1.0 -49.50 -32.42 PSI 39 39 A 17 LEU N A 17 LEU CA A 17 LEU C A 18 ALA N 1.0 -51.63 -30.27 PSI 40 40 A 18 ALA N A 18 ALA CA A 18 ALA C A 19 SER N 1.0 -58.14 -13.66 PSI 41 41 A 19 SER N A 19 SER CA A 19 SER C A 20 LYS N 1.0 -61.08 -7.58 PSI 42 42 A 20 LYS N A 20 LYS CA A 20 LYS C A 21 VAL N 1.0 -52.44 -31.64 PSI 43 43 A 21 VAL N A 21 VAL CA A 21 VAL C A 22 MET N 1.0 -52.24 -35.70 PSI 44 44 A 22 MET N A 22 MET CA A 22 MET C A 23 ASN N 1.0 -56.74 -28.20 PSI 45 45 A 23 ASN N A 23 ASN CA A 23 ASN C A 24 LYS N 1.0 -57.69 -23.53 PSI 46 46 A 24 LYS N A 24 LYS CA A 24 LYS C A 25 LEU N 1.0 -56.51 -30.85 PSI stop_ save_