data_nef_c15987_2k9i 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 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 2 GLY start . false 2 A 3 ARG middle . . 3 A 4 PRO middle . false 4 A 5 TYR middle . . 5 A 6 LYS middle . . 6 A 7 LEU middle . . 7 A 8 LEU middle . . 8 A 9 ASN middle . . 9 A 10 GLY middle . false 10 A 11 ILE middle . . 11 A 12 LYS middle . . 12 A 13 LEU middle . . 13 A 14 GLY middle . false 14 A 15 VAL middle . . 15 A 16 TYR middle . . 16 A 17 ILE middle . . 17 A 18 PRO middle . false 18 A 19 GLN middle . . 19 A 20 GLU middle . . 20 A 21 TRP middle . . 21 A 22 HIS middle . . 22 A 23 ASP middle . . 23 A 24 ARG middle . . 24 A 25 LEU middle . . 25 A 26 MET middle . . 26 A 27 GLU middle . . 27 A 28 ILE middle . . 28 A 29 ALA middle . . 29 A 30 LYS middle . . 30 A 31 GLU middle . . 31 A 32 LYS middle . . 32 A 33 ASN middle . . 33 A 34 LEU middle . . 34 A 35 THR middle . . 35 A 36 LEU middle . . 36 A 37 SER middle . . 37 A 38 ASP middle . . 38 A 39 VAL middle . . 39 A 40 CYS middle . . 40 A 41 ARG middle . . 41 A 42 LEU middle . . 42 A 43 ALA middle . . 43 A 44 ILE middle . . 44 A 45 LYS middle . . 45 A 46 GLU middle . . 46 A 47 TYR middle . . 47 A 48 LEU middle . . 48 A 49 ASP middle . . 49 A 50 ASN middle . . 50 A 51 HIS middle . . 51 A 52 ASP middle . . 52 A 53 LYS middle . . 53 A 54 GLN middle . . 54 A 55 LYS middle . . 55 A 56 LYS end . . 56 B 2 GLY start . false 57 B 3 ARG middle . . 58 B 4 PRO middle . false 59 B 5 TYR middle . . 60 B 6 LYS middle . . 61 B 7 LEU middle . . 62 B 8 LEU middle . . 63 B 9 ASN middle . . 64 B 10 GLY middle . false 65 B 11 ILE middle . . 66 B 12 LYS middle . . 67 B 13 LEU middle . . 68 B 14 GLY middle . false 69 B 15 VAL middle . . 70 B 16 TYR middle . . 71 B 17 ILE middle . . 72 B 18 PRO middle . false 73 B 19 GLN middle . . 74 B 20 GLU middle . . 75 B 21 TRP middle . . 76 B 22 HIS middle . . 77 B 23 ASP middle . . 78 B 24 ARG middle . . 79 B 25 LEU middle . . 80 B 26 MET middle . . 81 B 27 GLU middle . . 82 B 28 ILE middle . . 83 B 29 ALA middle . . 84 B 30 LYS middle . . 85 B 31 GLU middle . . 86 B 32 LYS middle . . 87 B 33 ASN middle . . 88 B 34 LEU middle . . 89 B 35 THR middle . . 90 B 36 LEU middle . . 91 B 37 SER middle . . 92 B 38 ASP middle . . 93 B 39 VAL middle . . 94 B 40 CYS middle . . 95 B 41 ARG middle . . 96 B 42 LEU middle . . 97 B 43 ALA middle . . 98 B 44 ILE middle . . 99 B 45 LYS middle . . 100 B 46 GLU middle . . 101 B 47 TYR middle . . 102 B 48 LEU middle . . 103 B 49 ASP middle . . 104 B 50 ASN middle . . 105 B 51 HIS middle . . 106 B 52 ASP middle . . 107 B 53 LYS middle . . 108 B 54 GLN middle . . 109 B 55 LYS middle . . 110 B 56 LYS end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 2 GLY HAx H 1 3.880 0.010 A 2 GLY HAy H 1 3.880 0.010 A 3 ARG H H 1 8.676 0.010 A 3 ARG HA H 1 4.608 0.010 A 3 ARG HBx H 1 1.763 0.010 A 3 ARG HBy H 1 1.763 0.010 A 3 ARG HDx H 1 3.165 0.010 A 3 ARG HDy H 1 3.165 0.010 A 3 ARG HE H 1 7.282 0.010 A 3 ARG HGx H 1 1.656 0.010 A 3 ARG HGy H 1 1.656 0.010 A 4 PRO HA H 1 4.419 0.010 A 4 PRO HBx H 1 1.815 0.010 A 4 PRO HBy H 1 2.243 0.010 A 4 PRO HDx H 1 3.598 0.010 A 4 PRO HDy H 1 3.809 0.010 A 4 PRO HGx H 1 2.003 0.010 A 4 PRO HGy H 1 2.003 0.010 A 5 TYR H H 1 8.180 0.010 A 5 TYR HA H 1 4.449 0.010 A 5 TYR HBx H 1 2.949 0.010 A 5 TYR HBy H 1 2.949 0.010 A 5 TYR HDx H 1 7.064 0.010 A 5 TYR HDy H 1 7.064 0.010 A 5 TYR HEx H 1 6.773 0.010 A 5 TYR HEy H 1 6.773 0.010 A 6 LYS H H 1 8.129 0.010 A 6 LYS HA H 1 4.135 0.010 A 6 LYS HBx H 1 1.620 0.010 A 6 LYS HBy H 1 1.620 0.010 A 6 LYS HDx H 1 1.600 0.010 A 6 LYS HDy H 1 1.600 0.010 A 6 LYS HEx H 1 2.936 0.010 A 6 LYS HEy H 1 2.936 0.010 A 6 LYS HGx H 1 1.258 0.010 A 6 LYS HGy H 1 1.258 0.010 A 7 LEU H H 1 7.959 0.010 A 7 LEU HA H 1 4.200 0.010 A 7 LEU HBx H 1 1.428 0.010 A 7 LEU HBy H 1 1.428 0.010 A 7 LEU HDx% H 1 0.755 0.010 A 7 LEU HDy% H 1 0.695 0.010 A 7 LEU HG H 1 1.377 0.010 A 8 LEU H H 1 8.116 0.010 A 8 LEU HA H 1 4.177 0.010 A 8 LEU HBx H 1 1.530 0.010 A 8 LEU HBy H 1 1.530 0.010 A 8 LEU HDx% H 1 0.816 0.010 A 8 LEU HDy% H 1 0.755 0.010 A 8 LEU HG H 1 1.530 0.010 A 9 ASN H H 1 8.390 0.010 A 9 ASN HA H 1 4.562 0.010 A 9 ASN HBx H 1 2.689 0.010 A 9 ASN HBy H 1 2.689 0.010 A 9 ASN HD2y H 1 7.525 0.010 A 9 ASN HD2x H 1 6.817 0.010 A 10 GLY H H 1 7.889 0.010 A 10 GLY HAx H 1 3.608 0.010 A 10 GLY HAy H 1 4.077 0.010 A 11 ILE H H 1 8.883 0.010 A 11 ILE HA H 1 4.404 0.010 A 11 ILE HB H 1 1.597 0.010 A 11 ILE HD1% H 1 0.533 0.010 A 11 ILE HG1x H 1 0.954 0.010 A 11 ILE HG1y H 1 1.258 0.010 A 11 ILE HG2% H 1 0.557 0.010 A 12 LYS H H 1 8.432 0.010 A 12 LYS HA H 1 3.920 0.010 A 12 LYS HBx H 1 1.197 0.010 A 12 LYS HBy H 1 1.521 0.010 A 12 LYS HDx H 1 1.428 0.010 A 12 LYS HDy H 1 1.428 0.010 A 12 LYS HGx H 1 1.375 0.010 A 12 LYS HGy H 1 1.375 0.010 A 13 LEU H H 1 8.896 0.010 A 13 LEU HA H 1 4.500 0.010 A 13 LEU HBy H 1 1.652 0.010 A 13 LEU HBx H 1 1.515 0.010 A 13 LEU HDx% H 1 0.850 0.010 A 13 LEU HDy% H 1 0.816 0.010 A 13 LEU HG H 1 1.592 0.010 A 14 GLY H H 1 8.545 0.010 A 14 GLY HAx H 1 3.323 0.010 A 14 GLY HAy H 1 4.918 0.010 A 15 VAL H H 1 8.419 0.010 A 15 VAL HA H 1 4.369 0.010 A 15 VAL HB H 1 1.944 0.010 A 15 VAL HGx% H 1 0.889 0.010 A 15 VAL HGy% H 1 0.842 0.010 A 16 TYR H H 1 8.680 0.010 A 16 TYR HA H 1 4.963 0.010 A 16 TYR HBx H 1 2.572 0.010 A 16 TYR HBy H 1 2.770 0.010 A 16 TYR HDx H 1 6.876 0.010 A 16 TYR HDy H 1 6.876 0.010 A 16 TYR HEx H 1 6.678 0.010 A 16 TYR HEy H 1 6.678 0.010 A 17 ILE H H 1 8.794 0.010 A 17 ILE HA H 1 4.670 0.010 A 17 ILE HB H 1 1.944 0.010 A 17 ILE HD1% H 1 0.863 0.010 A 17 ILE HG1x H 1 1.148 0.010 A 17 ILE HG1y H 1 1.575 0.010 A 17 ILE HG2% H 1 1.015 0.010 A 18 PRO HA H 1 4.356 0.010 A 18 PRO HBx H 1 1.227 0.010 A 18 PRO HBy H 1 1.950 0.010 A 18 PRO HDx H 1 2.225 0.010 A 18 PRO HDy H 1 2.820 0.010 A 18 PRO HGx H 1 0.504 0.010 A 18 PRO HGy H 1 1.227 0.010 A 19 GLN H H 1 9.107 0.010 A 19 GLN HA H 1 3.772 0.010 A 19 GLN HBx H 1 2.027 0.010 A 19 GLN HBy H 1 2.199 0.010 A 19 GLN HE2y H 1 7.759 0.010 A 19 GLN HE2x H 1 6.715 0.010 A 19 GLN HGx H 1 2.365 0.010 A 19 GLN HGy H 1 2.404 0.010 A 20 GLU H H 1 9.483 0.010 A 20 GLU HA H 1 4.244 0.010 A 20 GLU HBx H 1 2.122 0.010 A 20 GLU HBy H 1 2.122 0.010 A 20 GLU HGx H 1 2.205 0.010 A 20 GLU HGy H 1 2.205 0.010 A 21 TRP H H 1 7.250 0.010 A 21 TRP HA H 1 4.608 0.010 A 21 TRP HBx H 1 3.098 0.010 A 21 TRP HBy H 1 3.455 0.010 A 21 TRP HD1 H 1 7.146 0.010 A 21 TRP HE1 H 1 10.401 0.010 A 21 TRP HE3 H 1 7.530 0.010 A 21 TRP HH2 H 1 7.250 0.010 A 21 TRP HZ2 H 1 7.530 0.010 A 21 TRP HZ3 H 1 7.083 0.010 A 22 HIS H H 1 8.005 0.010 A 22 HIS HA H 1 3.887 0.010 A 22 HIS HBx H 1 2.946 0.010 A 22 HIS HBy H 1 3.785 0.010 A 22 HIS HD2 H 1 6.900 0.010 A 22 HIS HE1 H 1 7.937 0.010 A 23 ASP H H 1 8.843 0.010 A 23 ASP HA H 1 4.364 0.010 A 23 ASP HBx H 1 2.861 0.010 A 23 ASP HBy H 1 2.881 0.010 A 24 ARG H H 1 7.746 0.010 A 24 ARG HA H 1 4.203 0.010 A 24 ARG HBx H 1 2.002 0.010 A 24 ARG HBy H 1 2.002 0.010 A 24 ARG HDx H 1 3.138 0.010 A 24 ARG HDy H 1 3.406 0.010 A 24 ARG HE H 1 7.753 0.010 A 24 ARG HGx H 1 1.931 0.010 A 24 ARG HGy H 1 1.931 0.010 A 25 LEU H H 1 8.474 0.010 A 25 LEU HA H 1 3.940 0.010 A 25 LEU HBx H 1 1.197 0.010 A 25 LEU HBy H 1 1.905 0.010 A 25 LEU HDx% H 1 0.887 0.010 A 25 LEU HDy% H 1 0.695 0.010 A 25 LEU HG H 1 0.882 0.010 A 26 MET H H 1 8.044 0.010 A 26 MET HA H 1 4.205 0.010 A 26 MET HBx H 1 2.122 0.010 A 26 MET HBy H 1 2.204 0.010 A 26 MET HE% H 1 2.092 0.010 A 26 MET HGx H 1 2.318 0.010 A 26 MET HGy H 1 2.531 0.010 A 27 GLU H H 1 7.709 0.010 A 27 GLU HA H 1 4.139 0.010 A 27 GLU HBx H 1 2.200 0.010 A 27 GLU HBy H 1 2.308 0.010 A 27 GLU HGx H 1 2.500 0.010 A 27 GLU HGy H 1 2.500 0.010 A 28 ILE H H 1 7.828 0.010 A 28 ILE HA H 1 3.666 0.010 A 28 ILE HB H 1 1.855 0.010 A 28 ILE HD1% H 1 0.708 0.010 A 28 ILE HG1x H 1 0.882 0.010 A 28 ILE HG1y H 1 1.530 0.010 A 28 ILE HG2% H 1 0.794 0.010 A 29 ALA H H 1 8.459 0.010 A 29 ALA HA H 1 3.610 0.010 A 29 ALA HB% H 1 1.379 0.010 A 30 LYS H H 1 8.015 0.010 A 30 LYS HA H 1 4.144 0.010 A 30 LYS HBx H 1 1.456 0.010 A 30 LYS HBy H 1 1.995 0.010 A 30 LYS HDx H 1 1.737 0.010 A 30 LYS HDy H 1 1.737 0.010 A 30 LYS HEx H 1 3.004 0.010 A 30 LYS HEy H 1 3.004 0.010 A 30 LYS HGx H 1 1.600 0.010 A 30 LYS HGy H 1 1.600 0.010 A 30 LYS HZ1 H 1 8.006 0.010 A 30 LYS HZ2 H 1 8.006 0.010 A 30 LYS HZ3 H 1 8.006 0.010 A 31 GLU H H 1 8.096 0.010 A 31 GLU HA H 1 4.064 0.010 A 31 GLU HBx H 1 2.210 0.010 A 31 GLU HBy H 1 2.308 0.010 A 31 GLU HGx H 1 2.531 0.010 A 31 GLU HGy H 1 2.531 0.010 A 32 LYS H H 1 8.033 0.010 A 32 LYS HA H 1 4.313 0.010 A 32 LYS HBx H 1 1.502 0.010 A 32 LYS HBy H 1 1.999 0.010 A 32 LYS HDx H 1 1.609 0.010 A 32 LYS HDy H 1 1.609 0.010 A 32 LYS HGx H 1 1.502 0.010 A 32 LYS HGy H 1 1.502 0.010 A 33 ASN H H 1 7.959 0.010 A 33 ASN HA H 1 4.419 0.010 A 33 ASN HBx H 1 2.786 0.010 A 33 ASN HBy H 1 3.195 0.010 A 33 ASN HD2y H 1 7.533 0.010 A 33 ASN HD2x H 1 6.842 0.010 A 34 LEU H H 1 8.538 0.010 A 34 LEU HA H 1 4.925 0.010 A 34 LEU HBx H 1 1.340 0.010 A 34 LEU HBy H 1 1.944 0.010 A 34 LEU HDx% H 1 0.963 0.010 A 34 LEU HDy% H 1 0.783 0.010 A 34 LEU HG H 1 1.630 0.010 A 35 THR H H 1 8.656 0.010 A 35 THR HA H 1 4.608 0.010 A 35 THR HB H 1 4.760 0.010 A 35 THR HG2% H 1 1.319 0.010 A 36 LEU H H 1 9.000 0.010 A 36 LEU HA H 1 3.908 0.010 A 36 LEU HBx H 1 1.772 0.010 A 36 LEU HBy H 1 1.860 0.010 A 36 LEU HDx% H 1 0.876 0.010 A 36 LEU HDy% H 1 0.708 0.010 A 36 LEU HG H 1 1.530 0.010 A 37 SER H H 1 8.656 0.010 A 37 SER HA H 1 4.059 0.010 A 37 SER HBx H 1 3.870 0.010 A 37 SER HBy H 1 3.870 0.010 A 38 ASP H H 1 7.984 0.010 A 38 ASP HA H 1 4.355 0.010 A 38 ASP HBx H 1 2.688 0.010 A 38 ASP HBy H 1 3.298 0.010 A 39 VAL H H 1 8.015 0.010 A 39 VAL HA H 1 3.576 0.010 A 39 VAL HB H 1 2.158 0.010 A 39 VAL HGx% H 1 0.990 0.010 A 39 VAL HGy% H 1 0.908 0.010 A 40 CYS H H 1 8.260 0.010 A 40 CYS HA H 1 3.777 0.010 A 40 CYS HBx H 1 2.460 0.010 A 40 CYS HBy H 1 3.117 0.010 A 41 ARG H H 1 8.206 0.010 A 41 ARG HA H 1 4.008 0.010 A 41 ARG HBx H 1 1.777 0.010 A 41 ARG HBy H 1 1.995 0.010 A 41 ARG HDx H 1 3.295 0.010 A 41 ARG HDy H 1 3.566 0.010 A 41 ARG HE H 1 7.700 0.010 A 41 ARG HGx H 1 2.165 0.010 A 41 ARG HGy H 1 2.165 0.010 A 42 LEU H H 1 7.822 0.010 A 42 LEU HA H 1 4.036 0.010 A 42 LEU HBx H 1 1.403 0.010 A 42 LEU HBy H 1 1.851 0.010 A 42 LEU HDx% H 1 0.933 0.010 A 42 LEU HDy% H 1 0.887 0.010 A 42 LEU HG H 1 1.790 0.010 A 43 ALA H H 1 7.741 0.010 A 43 ALA HA H 1 3.699 0.010 A 43 ALA HB% H 1 1.011 0.010 A 44 ILE H H 1 8.043 0.010 A 44 ILE HA H 1 3.423 0.010 A 44 ILE HB H 1 2.018 0.010 A 44 ILE HD1% H 1 0.765 0.010 A 44 ILE HG1x H 1 1.092 0.010 A 44 ILE HG1y H 1 1.688 0.010 A 44 ILE HG2% H 1 0.886 0.010 A 45 LYS H H 1 8.432 0.010 A 45 LYS HA H 1 3.014 0.010 A 45 LYS HBx H 1 1.542 0.010 A 45 LYS HBy H 1 1.768 0.010 A 45 LYS HDx H 1 1.602 0.010 A 45 LYS HDy H 1 1.602 0.010 A 45 LYS HEx H 1 2.923 0.010 A 45 LYS HEy H 1 2.923 0.010 A 45 LYS HGx H 1 1.240 0.010 A 45 LYS HGy H 1 1.240 0.010 A 46 GLU H H 1 8.370 0.010 A 46 GLU HA H 1 4.002 0.010 A 46 GLU HBx H 1 2.165 0.010 A 46 GLU HBy H 1 2.165 0.010 A 46 GLU HGx H 1 2.455 0.010 A 46 GLU HGy H 1 2.720 0.010 A 47 TYR H H 1 7.703 0.010 A 47 TYR HA H 1 4.308 0.010 A 47 TYR HBx H 1 3.068 0.010 A 47 TYR HBy H 1 3.298 0.010 A 47 TYR HDx H 1 6.788 0.010 A 47 TYR HDy H 1 6.788 0.010 A 47 TYR HEx H 1 6.437 0.010 A 47 TYR HEy H 1 6.437 0.010 A 48 LEU H H 1 8.432 0.010 A 48 LEU HA H 1 3.709 0.010 A 48 LEU HBx H 1 1.247 0.010 A 48 LEU HBy H 1 1.698 0.010 A 48 LEU HDx% H 1 0.701 0.010 A 48 LEU HDy% H 1 0.346 0.010 A 48 LEU HG H 1 1.745 0.010 A 49 ASP H H 1 8.530 0.010 A 49 ASP HA H 1 4.255 0.010 A 49 ASP HBx H 1 2.588 0.010 A 49 ASP HBy H 1 2.720 0.010 A 50 ASN H H 1 7.934 0.010 A 50 ASN HA H 1 4.482 0.010 A 50 ASN HBx H 1 2.450 0.010 A 50 ASN HBy H 1 2.660 0.010 A 50 ASN HD2y H 1 7.635 0.010 A 50 ASN HD2x H 1 6.910 0.010 A 51 HIS H H 1 7.830 0.010 A 51 HIS HA H 1 4.424 0.010 A 51 HIS HBx H 1 2.514 0.010 A 51 HIS HBy H 1 3.156 0.010 A 51 HIS HD2 H 1 6.856 0.010 A 51 HIS HE1 H 1 7.830 0.010 A 52 ASP H H 1 8.052 0.010 A 52 ASP HA H 1 4.680 0.010 A 52 ASP HBx H 1 2.688 0.010 A 52 ASP HBy H 1 2.840 0.010 A 53 LYS H H 1 8.069 0.010 A 53 LYS HA H 1 4.220 0.010 A 53 LYS HBx H 1 1.775 0.010 A 53 LYS HBy H 1 1.820 0.010 A 53 LYS HDx H 1 1.665 0.010 A 53 LYS HDy H 1 1.665 0.010 A 53 LYS HEx H 1 2.867 0.010 A 53 LYS HEy H 1 2.867 0.010 A 53 LYS HGx H 1 1.375 0.010 A 53 LYS HGy H 1 1.375 0.010 A 54 GLN H H 1 8.246 0.010 A 54 GLN HA H 1 4.257 0.010 A 54 GLN HBx H 1 1.958 0.010 A 54 GLN HBy H 1 2.080 0.010 A 54 GLN HE2y H 1 7.537 0.010 A 54 GLN HE2x H 1 6.860 0.010 A 54 GLN HGx H 1 2.336 0.010 A 54 GLN HGy H 1 2.336 0.010 A 55 LYS H H 1 8.200 0.010 A 55 LYS HA H 1 4.266 0.010 A 55 LYS HBx H 1 1.730 0.010 A 55 LYS HBy H 1 1.830 0.010 A 55 LYS HDx H 1 1.608 0.010 A 55 LYS HDy H 1 1.608 0.010 A 55 LYS HEx H 1 2.974 0.010 A 55 LYS HEy H 1 2.974 0.010 A 55 LYS HGx H 1 1.409 0.010 A 55 LYS HGy H 1 1.409 0.010 A 56 LYS H H 1 8.018 0.010 A 56 LYS HA H 1 4.156 0.010 A 56 LYS HBx H 1 1.699 0.010 A 56 LYS HBy H 1 1.813 0.010 A 56 LYS HGx H 1 1.380 0.010 A 56 LYS HGy H 1 1.380 0.010 stop_ save_ save_CNS/XPLOR_distance_constraints_6 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_6 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type undefined 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 13 LEU H B 15 VAL H 1.0 1.8 4.8 2 2 A 15 VAL H B 13 LEU H 1.0 1.8 4.8 3 3 A 13 LEU H B 16 TYR HA 1.0 1.8 4.0 4 4 A 13 LEU H B 15 VAL HG21 1.0 1.8 5.5 5 5 A 15 VAL H B 14 GLY HAx 1.0 1.8 4.8 6 6 A 41 ARG H B 40 CYS HBy 1.0 1.8 5.5 7 7 A 41 ARG H B 40 CYS HBx 1.0 1.8 5.5 8 8 A 16 TYR H B 13 LEU HD21 1.0 1.8 5.5 9 9 A 47 TYR HD% B 43 ALA HA 1.0 1.8 4.0 10 10 B 43 ALA HA A 47 TYR HE% 1.0 1.8 4.0 11 11 A 47 TYR HD% B 43 ALA HB1 1.0 1.8 4.8 12 12 A 47 TYR HE% B 42 LEU HBx 1.0 1.8 4.8 13 13 A 16 TYR HE% B 11 ILE HD11 1.0 1.8 4.8 14 14 B 13 LEU HD21 A 16 TYR HE% 1.0 1.8 4.8 15 15 A 21 TRP HZ3 B 41 ARG HA 1.0 1.8 5.5 16 16 B 41 ARG HA A 21 TRP HH2 1.0 1.8 5.5 17 17 A 11 ILE HD1% B 16 TYR HE% 1.0 1.8 4.8 18 18 A 43 ALA HB% B 47 TYR HD% 1.0 1.8 4.8 19 19 A 43 ALA HB% B 47 TYR HE% 1.0 1.8 5.5 20 20 B 47 TYR HE% A 43 ALA HA 1.0 1.8 38172.8 21 21 B 43 ALA HB1 A 44 ILE HA 1.0 1.8 5.5 22 22 B 47 TYR HE% A 42 LEU HBx 1.0 1.8 38172.8 23 23 B 40 CYS HBx A 40 CYS HA 1.0 1.8 5.5 24 24 A 40 CYS HBx B 40 CYS HA 1.0 1.8 5.5 25 25 A 43 ALA HB% B 44 ILE HA 1.0 1.8 5.5 26 26 A 11 ILE HD1% B 19 GLN HA 1.0 1.8 38172.8 27 27 A 17 ILE H B 12 LYS HA 1.0 1.8 4.8 28 28 A 19 GLN H B 10 GLY HAx 1.0 1.8 4.8 29 28 A 19 GLN H B 10 GLY HAy 1.0 1.8 4.8 30 29 A 15 VAL H B 13 LEU H 1.0 1.8 4.8 31 30 A 13 LEU H B 15 VAL H 1.0 1.8 4.8 32 31 B 13 LEU H A 16 TYR HA 1.0 1.8 4.0 33 32 B 13 LEU H A 15 VAL HGy% 1.0 1.8 5.5 34 33 B 15 VAL H A 14 GLY HAx 1.0 1.8 4.8 35 34 B 41 ARG H A 40 CYS HBy 1.0 1.8 5.5 36 35 A 40 CYS HBx B 41 ARG H 1.0 1.8 5.5 37 36 B 16 TYR H A 13 LEU HDy% 1.0 1.8 5.5 38 37 B 47 TYR HD% A 43 ALA HA 1.0 1.8 4.0 39 38 B 47 TYR HE% A 43 ALA HA 1.0 1.8 4.0 40 39 A 43 ALA HB% B 47 TYR HD% 1.0 1.8 4.8 41 40 B 47 TYR HE% A 42 LEU HBx 1.0 1.8 4.8 42 41 A 11 ILE HD1% B 16 TYR HE% 1.0 1.8 4.8 43 42 B 16 TYR HE% A 13 LEU HDy% 1.0 1.8 4.8 44 43 B 21 TRP HZ3 A 41 ARG HA 1.0 1.8 5.5 45 44 A 41 ARG HA B 21 TRP HH2 1.0 1.8 5.5 46 45 A 16 TYR HE% B 11 ILE HD11 1.0 1.8 4.8 47 46 A 47 TYR HD% B 43 ALA HB1 1.0 1.8 4.8 48 47 A 47 TYR HE% B 43 ALA HB1 1.0 1.8 5.5 49 48 B 43 ALA HA A 47 TYR HE% 1.0 1.8 38172.8 50 49 A 43 ALA HB% B 44 ILE HA 1.0 1.8 5.5 51 50 A 26 MET HGy A 36 LEU HDx% 1.0 1.8 4.8 52 50 A 26 MET HGx A 36 LEU HDx% 1.0 1.8 4.8 53 50 A 36 LEU HDy% A 26 MET HGx 1.0 1.8 4.8 54 50 A 26 MET HGy A 36 LEU HDy% 1.0 1.8 4.8 55 51 A 29 ALA HA A 34 LEU HDx% 1.0 1.8 4.8 56 51 A 29 ALA HA A 34 LEU HDy% 1.0 1.8 4.8 57 52 A 29 ALA HB% A 34 LEU HDx% 1.0 1.8 4.8 58 52 A 34 LEU HDy% A 29 ALA HB% 1.0 1.8 4.8 59 53 A 29 ALA HB% A 36 LEU HA 1.0 1.8 4.8 60 54 A 34 LEU HBx A 38 ASP HBx 1.0 1.8 4.8 61 54 A 34 LEU HBy A 38 ASP HBx 1.0 1.8 4.8 62 54 A 38 ASP HBy A 34 LEU HBx 1.0 1.8 4.8 63 54 A 34 LEU HBy A 38 ASP HBy 1.0 1.8 4.8 64 55 A 21 TRP HH2 A 17 ILE HG2% 1.0 1.8 4.8 65 56 A 21 TRP HZ3 A 17 ILE HG2% 1.0 1.8 4.8 66 57 A 21 TRP HH2 A 17 ILE HD1% 1.0 1.8 4.8 67 58 A 21 TRP HZ3 A 17 ILE HD1% 1.0 1.8 4.8 68 59 A 44 ILE HG2% A 48 LEU HDy% 1.0 1.8 4.8 69 60 A 48 LEU HDy% A 45 LYS HA 1.0 1.8 4.8 70 61 A 34 LEU HG A 38 ASP HBx 1.0 1.8 4.8 71 61 A 38 ASP HBy A 34 LEU HG 1.0 1.8 4.8 72 62 A 43 ALA HA A 40 CYS HA 1.0 1.8 4.8 73 63 B 26 MET HGx B 36 LEU HD11 1.0 1.8 4.8 74 63 B 26 MET HGy B 36 LEU HD11 1.0 1.8 4.8 75 63 B 36 LEU HD21 B 26 MET HGx 1.0 1.8 4.8 76 63 B 26 MET HGy B 36 LEU HD21 1.0 1.8 4.8 77 64 B 29 ALA HA B 34 LEU HD11 1.0 1.8 4.8 78 64 B 29 ALA HA B 34 LEU HD21 1.0 1.8 4.8 79 65 B 29 ALA HB1 B 34 LEU HD11 1.0 1.8 4.8 80 65 B 34 LEU HD21 B 29 ALA HB1 1.0 1.8 4.8 81 66 B 29 ALA HB1 B 36 LEU HA 1.0 1.8 4.8 82 67 B 34 LEU HBx B 38 ASP HBx 1.0 1.8 4.8 83 67 B 34 LEU HBy B 38 ASP HBx 1.0 1.8 4.8 84 67 B 38 ASP HBy B 34 LEU HBx 1.0 1.8 4.8 85 67 B 34 LEU HBy B 38 ASP HBy 1.0 1.8 4.8 86 68 B 34 LEU HG B 38 ASP HBx 1.0 1.8 4.8 87 68 B 38 ASP HBy B 34 LEU HG 1.0 1.8 4.8 88 69 B 21 TRP HH2 B 17 ILE HG21 1.0 1.8 4.8 89 70 B 21 TRP HZ3 B 17 ILE HG21 1.0 1.8 4.8 90 71 B 21 TRP HH2 B 17 ILE HD11 1.0 1.8 4.8 91 72 B 21 TRP HZ3 B 17 ILE HD11 1.0 1.8 4.8 92 73 B 44 ILE HG21 B 48 LEU HD21 1.0 1.8 4.8 93 74 B 48 LEU HD21 B 45 LYS HA 1.0 1.8 4.8 94 75 B 43 ALA HB1 B 40 CYS HA 1.0 1.8 4.8 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _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 23 ASP H A 19 GLN O 1.0 1.8 2.3 2 2 A 19 GLN O A 23 ASP N 1.0 2.8 3.3 3 3 A 24 ARG H A 20 GLU O 1.0 1.8 2.3 4 4 A 20 GLU O A 24 ARG N 1.0 2.8 3.3 5 5 A 25 LEU H A 21 TRP O 1.0 1.8 2.3 6 6 A 21 TRP O A 25 LEU N 1.0 2.8 3.3 7 7 A 26 MET H A 22 HIS O 1.0 1.8 2.3 8 8 A 22 HIS O A 26 MET N 1.0 2.8 3.3 9 9 A 27 GLU H A 23 ASP O 1.0 1.8 2.3 10 10 A 23 ASP O A 27 GLU N 1.0 2.8 3.3 11 11 A 28 ILE H A 24 ARG O 1.0 1.8 2.3 12 12 A 24 ARG O A 28 ILE N 1.0 2.8 3.3 13 13 A 29 ALA H A 25 LEU O 1.0 1.8 2.3 14 14 A 25 LEU O A 29 ALA N 1.0 2.8 3.3 15 15 A 30 LYS H A 26 MET O 1.0 1.8 2.3 16 16 A 26 MET O A 30 LYS N 1.0 2.8 3.3 17 17 A 31 GLU H A 27 GLU O 1.0 1.8 2.3 18 18 A 27 GLU O A 31 GLU N 1.0 2.8 3.3 19 19 A 32 LYS H A 28 ILE O 1.0 1.8 2.3 20 20 A 28 ILE O A 32 LYS N 1.0 2.8 3.3 21 21 A 40 CYS H A 36 LEU O 1.0 1.8 2.3 22 22 A 36 LEU O A 40 CYS N 1.0 2.8 3.3 23 23 A 41 ARG H A 37 SER O 1.0 1.8 2.3 24 24 A 37 SER O A 41 ARG N 1.0 2.8 3.3 25 25 A 42 LEU H A 38 ASP O 1.0 1.8 2.3 26 26 A 38 ASP O A 42 LEU N 1.0 2.8 3.3 27 27 A 43 ALA H A 39 VAL O 1.0 1.8 2.3 28 28 A 39 VAL O A 43 ALA N 1.0 2.8 3.3 29 29 A 44 ILE H A 40 CYS O 1.0 1.8 2.3 30 30 A 40 CYS O A 44 ILE N 1.0 2.8 3.3 31 31 A 45 LYS H A 41 ARG O 1.0 1.8 2.3 32 32 A 41 ARG O A 45 LYS N 1.0 2.8 3.3 33 33 A 46 GLU H A 42 LEU O 1.0 1.8 2.3 34 34 A 42 LEU O A 46 GLU N 1.0 2.8 3.3 35 35 A 47 TYR H A 43 ALA O 1.0 1.8 2.3 36 36 A 43 ALA O A 47 TYR N 1.0 2.8 3.3 37 37 A 48 LEU H A 44 ILE O 1.0 1.8 2.3 38 38 A 44 ILE O A 48 LEU N 1.0 2.8 3.3 39 39 A 49 ASP H A 45 LYS O 1.0 1.8 2.3 40 40 A 45 LYS O A 49 ASP N 1.0 2.8 3.3 41 41 A 50 ASN H A 46 GLU O 1.0 1.8 2.3 42 42 A 46 GLU O A 50 ASN N 1.0 2.8 3.3 43 43 B 23 ASP H B 19 GLN O 1.0 1.8 2.3 44 44 B 19 GLN O B 23 ASP N 1.0 2.8 3.3 45 45 B 24 ARG H B 20 GLU O 1.0 1.8 2.3 46 46 B 20 GLU O B 24 ARG N 1.0 2.8 3.3 47 47 B 25 LEU H B 21 TRP O 1.0 1.8 2.3 48 48 B 21 TRP O B 25 LEU N 1.0 2.8 3.3 49 49 B 26 MET H B 22 HIS O 1.0 1.8 2.3 50 50 B 22 HIS O B 26 MET N 1.0 2.8 3.3 51 51 B 27 GLU H B 23 ASP O 1.0 1.8 2.3 52 52 B 23 ASP O B 27 GLU N 1.0 2.8 3.3 53 53 B 28 ILE H B 24 ARG O 1.0 1.8 2.3 54 54 B 24 ARG O B 28 ILE N 1.0 2.8 3.3 55 55 B 29 ALA H B 25 LEU O 1.0 1.8 2.3 56 56 B 25 LEU O B 29 ALA N 1.0 2.8 3.3 57 57 B 30 LYS H B 26 MET O 1.0 1.8 2.3 58 58 B 26 MET O B 30 LYS N 1.0 2.8 3.3 59 59 B 31 GLU H B 27 GLU O 1.0 1.8 2.3 60 60 B 27 GLU O B 31 GLU N 1.0 2.8 3.3 61 61 B 32 LYS H B 28 ILE O 1.0 1.8 2.3 62 62 B 28 ILE O B 32 LYS N 1.0 2.8 3.3 63 63 B 40 CYS H B 36 LEU O 1.0 1.8 2.3 64 64 B 36 LEU O B 40 CYS N 1.0 2.8 3.3 65 65 B 41 ARG H B 37 SER O 1.0 1.8 2.3 66 66 B 37 SER O B 41 ARG N 1.0 2.8 3.3 67 67 B 42 LEU H B 38 ASP O 1.0 1.8 2.3 68 68 B 38 ASP O B 42 LEU N 1.0 2.8 3.3 69 69 B 43 ALA H B 39 VAL O 1.0 1.8 2.3 70 70 B 39 VAL O B 43 ALA N 1.0 2.8 3.3 71 71 B 44 ILE H B 40 CYS O 1.0 1.8 2.3 72 72 B 40 CYS O B 44 ILE N 1.0 2.8 3.3 73 73 B 45 LYS H B 41 ARG O 1.0 1.8 2.3 74 74 B 41 ARG O B 45 LYS N 1.0 2.8 3.3 75 75 B 46 GLU H B 42 LEU O 1.0 1.8 2.3 76 76 B 42 LEU O B 46 GLU N 1.0 2.8 3.3 77 77 B 47 TYR H B 43 ALA O 1.0 1.8 2.3 78 78 B 43 ALA O B 47 TYR N 1.0 2.8 3.3 79 79 B 48 LEU H B 44 ILE O 1.0 1.8 2.3 80 80 B 44 ILE O B 48 LEU N 1.0 2.8 3.3 81 81 B 49 ASP H B 45 LYS O 1.0 1.8 2.3 82 82 B 45 LYS O B 49 ASP N 1.0 2.8 3.3 83 83 B 50 ASN H B 46 GLU O 1.0 1.8 2.3 84 84 B 46 GLU O B 50 ASN N 1.0 2.8 3.3 85 85 A 17 ILE H B 11 ILE O 1.0 1.8 2.3 86 86 B 11 ILE O A 17 ILE N 1.0 2.8 3.3 87 87 A 15 VAL H B 13 LEU O 1.0 1.8 2.3 88 88 B 13 LEU O A 15 VAL N 1.0 2.8 3.3 89 89 A 13 LEU H B 15 VAL O 1.0 1.8 2.3 90 90 B 15 VAL O A 13 LEU N 1.0 2.8 3.3 91 91 A 11 ILE H B 17 ILE O 1.0 1.8 2.3 92 92 B 17 ILE O A 11 ILE N 1.0 2.8 3.3 93 93 B 17 ILE H A 11 ILE O 1.0 1.8 2.3 94 94 A 11 ILE O B 17 ILE N 1.0 2.8 3.3 95 95 B 15 VAL H A 13 LEU O 1.0 1.8 2.3 96 96 A 13 LEU O B 15 VAL N 1.0 2.8 3.3 97 97 B 13 LEU H A 15 VAL O 1.0 1.8 2.3 98 98 A 15 VAL O B 13 LEU N 1.0 2.8 3.3 99 99 B 11 ILE H A 17 ILE O 1.0 1.8 2.3 100 100 A 17 ILE O B 11 ILE N 1.0 2.8 3.3 101 101 B 22 HIS H B 18 PRO O 1.0 1.8 2.3 102 102 B 18 PRO O B 22 HIS N 1.0 2.8 3.3 103 103 B 34 LEU H B 29 ALA O 1.0 1.8 2.3 104 104 A 22 HIS H A 18 PRO O 1.0 1.8 2.3 105 105 A 18 PRO O A 22 HIS N 1.0 2.8 3.3 106 106 A 34 LEU H A 29 ALA O 1.0 1.8 2.3 107 107 A 29 ALA O A 34 LEU N 1.0 2.8 3.3 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 9 ASN C A 10 GLY N A 10 GLY CA A 10 GLY C 1.0 -165.0 -105.0 PHI 2 2 A 10 GLY C A 11 ILE N A 11 ILE CA A 11 ILE C 1.0 -165.0 -105.0 PHI 3 3 A 11 ILE C A 12 LYS N A 12 LYS CA A 12 LYS C 1.0 -165.0 -105.0 PHI 4 4 A 12 LYS C A 13 LEU N A 13 LEU CA A 13 LEU C 1.0 -165.0 -105.0 PHI 5 5 A 13 LEU C A 14 GLY N A 14 GLY CA A 14 GLY C 1.0 -165.0 -105.0 PHI 6 6 A 14 GLY C A 15 VAL N A 15 VAL CA A 15 VAL C 1.0 -165.0 -105.0 PHI 7 7 A 15 VAL C A 16 TYR N A 16 TYR CA A 16 TYR C 1.0 -165.0 -105.0 PHI 8 8 A 16 TYR C A 17 ILE N A 17 ILE CA A 17 ILE C 1.0 -165.0 -105.0 PHI 9 9 A 18 PRO C A 19 GLN N A 19 GLN CA A 19 GLN C 1.0 -95.0 -35.0 PHI 10 10 A 19 GLN C A 20 GLU N A 20 GLU CA A 20 GLU C 1.0 -95.0 -35.0 PHI 11 11 A 20 GLU C A 21 TRP N A 21 TRP CA A 21 TRP C 1.0 -95.0 -35.0 PHI 12 12 A 21 TRP C A 22 HIS N A 22 HIS CA A 22 HIS C 1.0 -95.0 -35.0 PHI 13 13 A 22 HIS C A 23 ASP N A 23 ASP CA A 23 ASP C 1.0 -95.0 -35.0 PHI 14 14 A 23 ASP C A 24 ARG N A 24 ARG CA A 24 ARG C 1.0 -95.0 -35.0 PHI 15 15 A 24 ARG C A 25 LEU N A 25 LEU CA A 25 LEU C 1.0 -95.0 -35.0 PHI 16 16 A 25 LEU C A 26 MET N A 26 MET CA A 26 MET C 1.0 -95.0 -35.0 PHI 17 17 A 26 MET C A 27 GLU N A 27 GLU CA A 27 GLU C 1.0 -95.0 -35.0 PHI 18 18 A 27 GLU C A 28 ILE N A 28 ILE CA A 28 ILE C 1.0 -95.0 -35.0 PHI 19 19 A 28 ILE C A 29 ALA N A 29 ALA CA A 29 ALA C 1.0 -95.0 -35.0 PHI 20 20 A 29 ALA C A 30 LYS N A 30 LYS CA A 30 LYS C 1.0 -95.0 -35.0 PHI 21 21 A 30 LYS C A 31 GLU N A 31 GLU CA A 31 GLU C 1.0 -95.0 -35.0 PHI 22 22 A 31 GLU C A 32 LYS N A 32 LYS CA A 32 LYS C 1.0 -95.0 -35.0 PHI 23 23 A 33 ASN C A 34 LEU N A 34 LEU CA A 34 LEU C 1.0 -165.0 -105.0 PHI 24 24 A 34 LEU C A 35 THR N A 35 THR CA A 35 THR C 1.0 -165.0 -105.0 PHI 25 25 A 35 THR C A 36 LEU N A 36 LEU CA A 36 LEU C 1.0 -95.0 -35.0 PHI 26 26 A 36 LEU C A 37 SER N A 37 SER CA A 37 SER C 1.0 -95.0 -35.0 PHI 27 27 A 37 SER C A 38 ASP N A 38 ASP CA A 38 ASP C 1.0 -95.0 -35.0 PHI 28 28 A 38 ASP C A 39 VAL N A 39 VAL CA A 39 VAL C 1.0 -95.0 -35.0 PHI 29 29 A 39 VAL C A 40 CYS N A 40 CYS CA A 40 CYS C 1.0 -95.0 -35.0 PHI 30 30 A 40 CYS C A 41 ARG N A 41 ARG CA A 41 ARG C 1.0 -95.0 -35.0 PHI 31 31 A 41 ARG C A 42 LEU N A 42 LEU CA A 42 LEU C 1.0 -95.0 -35.0 PHI 32 32 A 42 LEU C A 43 ALA N A 43 ALA CA A 43 ALA C 1.0 -95.0 -35.0 PHI 33 33 A 43 ALA C A 44 ILE N A 44 ILE CA A 44 ILE C 1.0 -95.0 -35.0 PHI 34 34 A 44 ILE C A 45 LYS N A 45 LYS CA A 45 LYS C 1.0 -95.0 -35.0 PHI 35 35 A 45 LYS C A 46 GLU N A 46 GLU CA A 46 GLU C 1.0 -95.0 -35.0 PHI 36 36 A 46 GLU C A 47 TYR N A 47 TYR CA A 47 TYR C 1.0 -95.0 -35.0 PHI 37 37 A 47 TYR C A 48 LEU N A 48 LEU CA A 48 LEU C 1.0 -95.0 -35.0 PHI 38 38 A 48 LEU C A 49 ASP N A 49 ASP CA A 49 ASP C 1.0 -95.0 -35.0 PHI 39 39 A 49 ASP C A 50 ASN N A 50 ASN CA A 50 ASN C 1.0 -95.0 -35.0 PHI 40 40 A 50 ASN C A 51 HIS N A 51 HIS CA A 51 HIS C 1.0 -95.0 -35.0 PHI 41 41 B 9 ASN C B 10 GLY N B 10 GLY CA B 10 GLY C 1.0 -165.0 -105.0 PHI 42 42 B 10 GLY C B 11 ILE N B 11 ILE CA B 11 ILE C 1.0 -165.0 -105.0 PHI 43 43 B 11 ILE C B 12 LYS N B 12 LYS CA B 12 LYS C 1.0 -165.0 -105.0 PHI 44 44 B 12 LYS C B 13 LEU N B 13 LEU CA B 13 LEU C 1.0 -165.0 -105.0 PHI 45 45 B 13 LEU C B 14 GLY N B 14 GLY CA B 14 GLY C 1.0 -165.0 -105.0 PHI 46 46 B 14 GLY C B 15 VAL N B 15 VAL CA B 15 VAL C 1.0 -165.0 -105.0 PHI 47 47 B 15 VAL C B 16 TYR N B 16 TYR CA B 16 TYR C 1.0 -165.0 -105.0 PHI 48 48 B 16 TYR C B 17 ILE N B 17 ILE CA B 17 ILE C 1.0 -165.0 -105.0 PHI 49 49 B 18 PRO C B 19 GLN N B 19 GLN CA B 19 GLN C 1.0 -95.0 -35.0 PHI 50 50 B 19 GLN C B 20 GLU N B 20 GLU CA B 20 GLU C 1.0 -95.0 -35.0 PHI 51 51 B 20 GLU C B 21 TRP N B 21 TRP CA B 21 TRP C 1.0 -95.0 -35.0 PHI 52 52 B 21 TRP C B 22 HIS N B 22 HIS CA B 22 HIS C 1.0 -95.0 -35.0 PHI 53 53 B 22 HIS C B 23 ASP N B 23 ASP CA B 23 ASP C 1.0 -95.0 -35.0 PHI 54 54 B 23 ASP C B 24 ARG N B 24 ARG CA B 24 ARG C 1.0 -95.0 -35.0 PHI 55 55 B 24 ARG C B 25 LEU N B 25 LEU CA B 25 LEU C 1.0 -95.0 -35.0 PHI 56 56 B 25 LEU C B 26 MET N B 26 MET CA B 26 MET C 1.0 -95.0 -35.0 PHI 57 57 B 26 MET C B 27 GLU N B 27 GLU CA B 27 GLU C 1.0 -95.0 -35.0 PHI 58 58 B 27 GLU C B 28 ILE N B 28 ILE CA B 28 ILE C 1.0 -95.0 -35.0 PHI 59 59 B 28 ILE C B 29 ALA N B 29 ALA CA B 29 ALA C 1.0 -95.0 -35.0 PHI 60 60 B 29 ALA C B 30 LYS N B 30 LYS CA B 30 LYS C 1.0 -95.0 -35.0 PHI 61 61 B 30 LYS C B 31 GLU N B 31 GLU CA B 31 GLU C 1.0 -95.0 -35.0 PHI 62 62 B 31 GLU C B 32 LYS N B 32 LYS CA B 32 LYS C 1.0 -95.0 -35.0 PHI 63 63 B 33 ASN C B 34 LEU N B 34 LEU CA B 34 LEU C 1.0 -165.0 -105.0 PHI 64 64 B 34 LEU C B 35 THR N B 35 THR CA B 35 THR C 1.0 -165.0 -105.0 PHI 65 65 B 35 THR C B 36 LEU N B 36 LEU CA B 36 LEU C 1.0 -95.0 -35.0 PHI 66 66 B 36 LEU C B 37 SER N B 37 SER CA B 37 SER C 1.0 -95.0 -35.0 PHI 67 67 B 37 SER C B 38 ASP N B 38 ASP CA B 38 ASP C 1.0 -95.0 -35.0 PHI 68 68 B 38 ASP C B 39 VAL N B 39 VAL CA B 39 VAL C 1.0 -95.0 -35.0 PHI 69 69 B 39 VAL C B 40 CYS N B 40 CYS CA B 40 CYS C 1.0 -95.0 -35.0 PHI 70 70 B 40 CYS C B 41 ARG N B 41 ARG CA B 41 ARG C 1.0 -95.0 -35.0 PHI 71 71 B 41 ARG C B 42 LEU N B 42 LEU CA B 42 LEU C 1.0 -95.0 -35.0 PHI 72 72 B 42 LEU C B 43 ALA N B 43 ALA CA B 43 ALA C 1.0 -95.0 -35.0 PHI 73 73 B 43 ALA C B 44 ILE N B 44 ILE CA B 44 ILE C 1.0 -95.0 -35.0 PHI 74 74 B 44 ILE C B 45 LYS N B 45 LYS CA B 45 LYS C 1.0 -95.0 -35.0 PHI 75 75 B 45 LYS C B 46 GLU N B 46 GLU CA B 46 GLU C 1.0 -95.0 -35.0 PHI 76 76 B 46 GLU C B 47 TYR N B 47 TYR CA B 47 TYR C 1.0 -95.0 -35.0 PHI 77 77 B 47 TYR C B 48 LEU N B 48 LEU CA B 48 LEU C 1.0 -95.0 -35.0 PHI 78 78 B 48 LEU C B 49 ASP N B 49 ASP CA B 49 ASP C 1.0 -95.0 -35.0 PHI 79 79 B 49 ASP C B 50 ASN N B 50 ASN CA B 50 ASN C 1.0 -95.0 -35.0 PHI 80 80 B 50 ASN C B 51 HIS N B 51 HIS CA B 51 HIS C 1.0 -95.0 -35.0 PHI 81 81 A 10 GLY N A 10 GLY CA A 10 GLY C A 11 ILE N 1.0 105.0 165.0 PSI 82 82 A 11 ILE N A 11 ILE CA A 11 ILE C A 12 LYS N 1.0 105.0 165.0 PSI 83 83 A 12 LYS N A 12 LYS CA A 12 LYS C A 13 LEU N 1.0 105.0 165.0 PSI 84 84 A 13 LEU N A 13 LEU CA A 13 LEU C A 14 GLY N 1.0 105.0 165.0 PSI 85 85 A 14 GLY N A 14 GLY CA A 14 GLY C A 15 VAL N 1.0 105.0 165.0 PSI 86 86 A 15 VAL N A 15 VAL CA A 15 VAL C A 16 TYR N 1.0 105.0 165.0 PSI 87 87 A 16 TYR N A 16 TYR CA A 16 TYR C A 17 ILE N 1.0 105.0 165.0 PSI 88 88 A 17 ILE N A 17 ILE CA A 17 ILE C A 18 PRO N 1.0 105.0 165.0 PSI 89 89 A 19 GLN N A 19 GLN CA A 19 GLN C A 20 GLU N 1.0 -65.0 -5.0 PSI 90 90 A 20 GLU N A 20 GLU CA A 20 GLU C A 21 TRP N 1.0 -65.0 -5.0 PSI 91 91 A 21 TRP N A 21 TRP CA A 21 TRP C A 22 HIS N 1.0 -65.0 -5.0 PSI 92 92 A 22 HIS N A 22 HIS CA A 22 HIS C A 23 ASP N 1.0 -65.0 -5.0 PSI 93 93 A 23 ASP N A 23 ASP CA A 23 ASP C A 24 ARG N 1.0 -65.0 -5.0 PSI 94 94 A 24 ARG N A 24 ARG CA A 24 ARG C A 25 LEU N 1.0 -65.0 -5.0 PSI 95 95 A 25 LEU N A 25 LEU CA A 25 LEU C A 26 MET N 1.0 -65.0 -5.0 PSI 96 96 A 26 MET N A 26 MET CA A 26 MET C A 27 GLU N 1.0 -65.0 -5.0 PSI 97 97 A 27 GLU N A 27 GLU CA A 27 GLU C A 28 ILE N 1.0 -65.0 -5.0 PSI 98 98 A 28 ILE N A 28 ILE CA A 28 ILE C A 29 ALA N 1.0 -65.0 -5.0 PSI 99 99 A 29 ALA N A 29 ALA CA A 29 ALA C A 30 LYS N 1.0 -65.0 -5.0 PSI 100 100 A 30 LYS N A 30 LYS CA A 30 LYS C A 31 GLU N 1.0 -65.0 -5.0 PSI 101 101 A 31 GLU N A 31 GLU CA A 31 GLU C A 32 LYS N 1.0 -65.0 -5.0 PSI 102 102 A 32 LYS N A 32 LYS CA A 32 LYS C A 33 ASN N 1.0 -65.0 -5.0 PSI 103 103 A 34 LEU N A 34 LEU CA A 34 LEU C A 35 THR N 1.0 105.0 165.0 PSI 104 104 A 35 THR N A 35 THR CA A 35 THR C A 36 LEU N 1.0 105.0 165.0 PSI 105 105 A 36 LEU N A 36 LEU CA A 36 LEU C A 37 SER N 1.0 -65.0 -5.0 PSI 106 106 A 37 SER N A 37 SER CA A 37 SER C A 38 ASP N 1.0 -65.0 -5.0 PSI 107 107 A 38 ASP N A 38 ASP CA A 38 ASP C A 39 VAL N 1.0 -65.0 -5.0 PSI 108 108 A 39 VAL N A 39 VAL CA A 39 VAL C A 40 CYS N 1.0 -65.0 -5.0 PSI 109 109 A 40 CYS N A 40 CYS CA A 40 CYS C A 41 ARG N 1.0 -65.0 -5.0 PSI 110 110 A 41 ARG N A 41 ARG CA A 41 ARG C A 42 LEU N 1.0 -65.0 -5.0 PSI 111 111 A 42 LEU N A 42 LEU CA A 42 LEU C A 43 ALA N 1.0 -65.0 -5.0 PSI 112 112 A 43 ALA N A 43 ALA CA A 43 ALA C A 44 ILE N 1.0 -65.0 -5.0 PSI 113 113 A 44 ILE N A 44 ILE CA A 44 ILE C A 45 LYS N 1.0 -65.0 -5.0 PSI 114 114 A 45 LYS N A 45 LYS CA A 45 LYS C A 46 GLU N 1.0 -65.0 -5.0 PSI 115 115 A 46 GLU N A 46 GLU CA A 46 GLU C A 47 TYR N 1.0 -65.0 -5.0 PSI 116 116 A 47 TYR N A 47 TYR CA A 47 TYR C A 48 LEU N 1.0 -65.0 -5.0 PSI 117 117 A 48 LEU N A 48 LEU CA A 48 LEU C A 49 ASP N 1.0 -65.0 -5.0 PSI 118 118 A 49 ASP N A 49 ASP CA A 49 ASP C A 50 ASN N 1.0 -65.0 -5.0 PSI 119 119 A 50 ASN N A 50 ASN CA A 50 ASN C A 51 HIS N 1.0 -65.0 -5.0 PSI 120 120 A 51 HIS N A 51 HIS CA A 51 HIS C A 52 ASP N 1.0 -65.0 -5.0 PSI 121 121 B 10 GLY N B 10 GLY CA B 10 GLY C B 11 ILE N 1.0 105.0 165.0 PSI 122 122 B 11 ILE N B 11 ILE CA B 11 ILE C B 12 LYS N 1.0 105.0 165.0 PSI 123 123 B 12 LYS N B 12 LYS CA B 12 LYS C B 13 LEU N 1.0 105.0 165.0 PSI 124 124 B 13 LEU N B 13 LEU CA B 13 LEU C B 14 GLY N 1.0 105.0 165.0 PSI 125 125 B 14 GLY N B 14 GLY CA B 14 GLY C B 15 VAL N 1.0 105.0 165.0 PSI 126 126 B 15 VAL N B 15 VAL CA B 15 VAL C B 16 TYR N 1.0 105.0 165.0 PSI 127 127 B 16 TYR N B 16 TYR CA B 16 TYR C B 17 ILE N 1.0 105.0 165.0 PSI 128 128 B 17 ILE N B 17 ILE CA B 17 ILE C B 18 PRO N 1.0 105.0 165.0 PSI 129 129 B 19 GLN N B 19 GLN CA B 19 GLN C B 20 GLU N 1.0 -65.0 -5.0 PSI 130 130 B 20 GLU N B 20 GLU CA B 20 GLU C B 21 TRP N 1.0 -65.0 -5.0 PSI 131 131 B 21 TRP N B 21 TRP CA B 21 TRP C B 22 HIS N 1.0 -65.0 -5.0 PSI 132 132 B 22 HIS N B 22 HIS CA B 22 HIS C B 23 ASP N 1.0 -65.0 -5.0 PSI 133 133 B 23 ASP N B 23 ASP CA B 23 ASP C B 24 ARG N 1.0 -65.0 -5.0 PSI 134 134 B 24 ARG N B 24 ARG CA B 24 ARG C B 25 LEU N 1.0 -65.0 -5.0 PSI 135 135 B 25 LEU N B 25 LEU CA B 25 LEU C B 26 MET N 1.0 -65.0 -5.0 PSI 136 136 B 26 MET N B 26 MET CA B 26 MET C B 27 GLU N 1.0 -65.0 -5.0 PSI 137 137 B 27 GLU N B 27 GLU CA B 27 GLU C B 28 ILE N 1.0 -65.0 -5.0 PSI 138 138 B 28 ILE N B 28 ILE CA B 28 ILE C B 29 ALA N 1.0 -65.0 -5.0 PSI 139 139 B 29 ALA N B 29 ALA CA B 29 ALA C B 30 LYS N 1.0 -65.0 -5.0 PSI 140 140 B 30 LYS N B 30 LYS CA B 30 LYS C B 31 GLU N 1.0 -65.0 -5.0 PSI 141 141 B 31 GLU N B 31 GLU CA B 31 GLU C B 32 LYS N 1.0 -65.0 -5.0 PSI 142 142 B 32 LYS N B 32 LYS CA B 32 LYS C B 33 ASN N 1.0 -65.0 -5.0 PSI 143 143 B 34 LEU N B 34 LEU CA B 34 LEU C B 35 THR N 1.0 105.0 165.0 PSI 144 144 B 35 THR N B 35 THR CA B 35 THR C B 36 LEU N 1.0 105.0 165.0 PSI 145 145 B 36 LEU N B 36 LEU CA B 36 LEU C B 37 SER N 1.0 -65.0 -5.0 PSI 146 146 B 37 SER N B 37 SER CA B 37 SER C B 38 ASP N 1.0 -65.0 -5.0 PSI 147 147 B 38 ASP N B 38 ASP CA B 38 ASP C B 39 VAL N 1.0 -65.0 -5.0 PSI 148 148 B 39 VAL N B 39 VAL CA B 39 VAL C B 40 CYS N 1.0 -65.0 -5.0 PSI 149 149 B 40 CYS N B 40 CYS CA B 40 CYS C B 41 ARG N 1.0 -65.0 -5.0 PSI 150 150 B 41 ARG N B 41 ARG CA B 41 ARG C B 42 LEU N 1.0 -65.0 -5.0 PSI 151 151 B 42 LEU N B 42 LEU CA B 42 LEU C B 43 ALA N 1.0 -65.0 -5.0 PSI 152 152 B 43 ALA N B 43 ALA CA B 43 ALA C B 44 ILE N 1.0 -65.0 -5.0 PSI 153 153 B 44 ILE N B 44 ILE CA B 44 ILE C B 45 LYS N 1.0 -65.0 -5.0 PSI 154 154 B 45 LYS N B 45 LYS CA B 45 LYS C B 46 GLU N 1.0 -65.0 -5.0 PSI 155 155 B 46 GLU N B 46 GLU CA B 46 GLU C B 47 TYR N 1.0 -65.0 -5.0 PSI 156 156 B 47 TYR N B 47 TYR CA B 47 TYR C B 48 LEU N 1.0 -65.0 -5.0 PSI 157 157 B 48 LEU N B 48 LEU CA B 48 LEU C B 49 ASP N 1.0 -65.0 -5.0 PSI 158 158 B 49 ASP N B 49 ASP CA B 49 ASP C B 50 ASN N 1.0 -65.0 -5.0 PSI 159 159 B 50 ASN N B 50 ASN CA B 50 ASN C B 51 HIS N 1.0 -65.0 -5.0 PSI 160 160 B 51 HIS N B 51 HIS CA B 51 HIS C B 52 ASP N 1.0 -65.0 -5.0 PSI stop_ save_