data_nef_c17525_2lai 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 54 SER . . . 2 A 55 PHE . . . 3 A 56 GLY . . . 4 A 57 LEU . . . 5 A 58 GLY . . . 6 A 59 LYS . . . 7 A 60 ALA . . . 8 A 61 GLN . . . 9 A 62 ASP . . . 10 A 63 PRO . . . 11 A 64 LEU . . . 12 A 65 ASP . . . 13 A 66 LYS . . . 14 A 67 PHE . . . 15 A 68 PHE . . . 16 A 69 SER . . . 17 A 70 LYS . . . 18 A 71 ILE . . . 19 A 72 ILE . . . 20 A 73 PHE . . . 21 A 74 SER . . . 22 A 75 GLY . . . 23 A 76 LYS . . . 24 A 77 PRO . . . 25 A 78 ILE . . . 26 A 79 GLU . . . 27 A 80 THR . . . 28 A 81 SER . . . 29 A 82 TYR . . . 30 A 83 SER . . . 31 A 84 ALA . . . 32 A 85 LYS . . . 33 A 86 GLY . . . 34 A 87 ILE . . . 35 A 88 HIS . . . 36 A 89 GLU . . . 37 A 90 LYS . . . 38 A 91 ILE . . . 39 A 92 ILE . . . 40 A 93 GLU . . . 41 A 94 ALA . . . 42 A 95 HIS . . . 43 A 96 ASP . . . 44 A 97 LEU . . . 45 A 98 HIS . . . 46 A 99 VAL . . . 47 A 100 SER . . . 48 A 101 LYS . . . 49 A 102 SER . . . 50 A 103 LYS . . . 51 A 104 ASN . . . 52 A 105 ALA . . . 53 A 106 PRO . . . 54 A 107 ILE . . . 55 A 108 GLN . . . 56 A 109 TYR . . . 57 A 110 ALA . . . 58 A 111 SER . . . 59 A 112 VAL . . . 60 A 113 MET . . . 61 A 114 GLU . . . 62 A 115 TYR . . . 63 A 116 LEU . . . 64 A 117 LYS . . . 65 A 118 LYS . . . 66 A 119 THR . . . 67 A 120 TYR . . . 68 A 121 PRO . . . 69 A 122 GLY . . . 70 A 123 PRO . . . 71 A 124 ASP . . . 72 A 125 ILE . . . 73 A 126 GLU . . . 74 A 127 ARG . . . 75 A 128 ILE . . . 76 A 129 VAL . . . 77 A 130 SER . . . 78 A 131 THR . . . 79 A 132 LEU . . . 80 A 133 GLU . . . 81 A 134 ARG . . . 82 A 135 HIS . . . 83 A 136 ASP . . . 84 A 137 GLU . . . 85 A 138 VAL . . . 86 A 139 GLY . . . 87 A 140 ALA . . . 88 A 141 LYS . . . 89 A 142 ASP . . . 90 A 143 LEU . . . 91 A 144 GLY . . . 92 A 145 ALA . . . 93 A 146 LYS . . . 94 A 147 LEU . . . 95 A 148 ARG . . . 96 A 149 ASP . . . 97 A 150 ALA . . . 98 A 151 LEU . . . 99 A 152 ASP . . . 100 A 153 ARG . . . 101 A 154 GLN . . . 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 56 GLY H H 1 8.382 0.02 A 56 GLY HAy H 1 3.875 0.02 A 56 GLY C C 13 173.928 0.30 A 56 GLY CA C 13 45.508 0.30 A 56 GLY N N 15 110.803 0.30 A 57 LEU H H 1 8.139 0.02 A 57 LEU HA H 1 4.287 0.02 A 57 LEU HBy H 1 1.611 0.02 A 57 LEU HBx H 1 1.564 0.02 A 57 LEU HD1% H 1 0.843 0.02 A 57 LEU HD2% H 1 0.800 0.02 A 57 LEU HG H 1 1.718 0.02 A 57 LEU C C 13 178.003 0.30 A 57 LEU CA C 13 55.521 0.30 A 57 LEU CB C 13 42.380 0.30 A 57 LEU CD1 C 13 24.917 0.30 A 57 LEU CD2 C 13 23.594 0.30 A 57 LEU CG C 13 26.769 0.30 A 57 LEU N N 15 121.611 0.30 A 58 GLY H H 1 8.510 0.02 A 58 GLY HAx H 1 3.902 0.02 A 58 GLY C C 13 174.247 0.30 A 58 GLY CA C 13 45.849 0.30 A 58 GLY N N 15 109.895 0.30 A 59 LYS H H 1 8.136 0.02 A 59 LYS HA H 1 4.269 0.02 A 59 LYS HBx H 1 1.699 0.02 A 59 LYS HBy H 1 1.796 0.02 A 59 LYS HDx H 1 1.567 0.02 A 59 LYS HDy H 1 1.633 0.02 A 59 LYS HEx H 1 2.909 0.02 A 59 LYS HEy H 1 2.949 0.02 A 59 LYS HGy H 1 1.476 0.02 A 59 LYS HGx H 1 1.348 0.02 A 59 LYS C C 13 176.347 0.30 A 59 LYS CA C 13 56.457 0.30 A 59 LYS CB C 13 33.289 0.30 A 59 LYS CD C 13 29.239 0.30 A 59 LYS CE C 13 42.292 0.30 A 59 LYS CG C 13 24.829 0.30 A 59 LYS N N 15 120.858 0.30 A 60 ALA H H 1 8.300 0.02 A 60 ALA HA H 1 4.293 0.02 A 60 ALA HB% H 1 1.339 0.02 A 60 ALA C C 13 177.302 0.30 A 60 ALA CA C 13 52.723 0.30 A 60 ALA CB C 13 19.605 0.30 A 60 ALA N N 15 124.767 0.30 A 61 GLN H H 1 8.386 0.02 A 61 GLN HA H 1 4.313 0.02 A 61 GLN HBx H 1 1.966 0.02 A 61 GLN HBy H 1 2.072 0.02 A 61 GLN HGy H 1 2.386 0.02 A 61 GLN HGx H 1 2.321 0.02 A 61 GLN C C 13 175.584 0.30 A 61 GLN CA C 13 56.138 0.30 A 61 GLN CB C 13 30.828 0.30 A 61 GLN CG C 13 34.178 0.30 A 61 GLN N N 15 119.973 0.30 A 62 ASP H H 1 8.979 0.02 A 62 ASP HA H 1 4.853 0.02 A 62 ASP HBy H 1 2.890 0.02 A 62 ASP HBx H 1 2.782 0.02 A 62 ASP C C 13 175.170 0.30 A 62 ASP CA C 13 53.140 0.30 A 62 ASP CB C 13 43.913 0.30 A 62 ASP N N 15 125.485 0.30 A 64 LEU H H 1 9.121 0.02 A 64 LEU HA H 1 3.998 0.02 A 64 LEU HBy H 1 2.211 0.02 A 64 LEU HBx H 1 1.382 0.02 A 64 LEU HD1% H 1 0.467 0.02 A 64 LEU HD2% H 1 0.587 0.02 A 64 LEU HG H 1 0.996 0.02 A 64 LEU C C 13 177.867 0.30 A 64 LEU CA C 13 58.918 0.30 A 64 LEU CB C 13 41.426 0.30 A 64 LEU CD1 C 13 24.271 0.30 A 64 LEU CD2 C 13 24.811 0.30 A 64 LEU CG C 13 26.071 0.30 A 64 LEU N N 15 119.663 0.30 A 65 ASP H H 1 7.321 0.02 A 65 ASP HA H 1 4.341 0.02 A 65 ASP HBx H 1 2.658 0.02 A 65 ASP HBy H 1 2.741 0.02 A 65 ASP C C 13 179.403 0.30 A 65 ASP CA C 13 57.402 0.30 A 65 ASP CB C 13 41.145 0.30 A 65 ASP N N 15 118.682 0.30 A 66 LYS H H 1 8.621 0.02 A 66 LYS HA H 1 3.857 0.02 A 66 LYS HBy H 1 1.925 0.02 A 66 LYS HBx H 1 1.724 0.02 A 66 LYS C C 13 178.066 0.30 A 66 LYS CA C 13 60.222 0.30 A 66 LYS CB C 13 33.219 0.30 A 66 LYS CD C 13 29.491 0.30 A 66 LYS CE C 13 42.360 0.30 A 66 LYS CG C 13 24.901 0.30 A 66 LYS N N 15 119.973 0.30 A 67 PHE H H 1 7.595 0.02 A 67 PHE HA H 1 4.121 0.02 A 67 PHE HBx H 1 2.652 0.02 A 67 PHE HBy H 1 3.138 0.02 A 67 PHE HDx H 1 6.660 0.02 A 67 PHE HEx H 1 6.450 0.02 A 67 PHE C C 13 176.952 0.30 A 67 PHE CA C 13 61.799 0.30 A 67 PHE CB C 13 39.930 0.30 A 67 PHE CDx C 13 131.200 0.30 A 67 PHE CEy C 13 131.200 0.30 A 67 PHE N N 15 117.707 0.30 A 68 PHE H H 1 8.670 0.02 A 68 PHE HA H 1 4.770 0.02 A 68 PHE HBy H 1 4.000 0.02 A 68 PHE HBx H 1 3.900 0.02 A 68 PHE HDx H 1 7.620 0.02 A 68 PHE HEx H 1 6.710 0.02 A 68 PHE CA C 13 63.301 0.30 A 68 PHE CDx C 13 133.600 0.30 A 68 PHE CEx C 13 131.400 0.30 A 68 PHE N N 15 115.412 0.30 A 69 SER H H 1 8.623 0.02 A 69 SER HA H 1 3.955 0.02 A 69 SER HBy H 1 3.510 0.02 A 69 SER HBx H 1 3.280 0.02 A 69 SER C C 13 175.743 0.30 A 69 SER CA C 13 62.797 0.30 A 69 SER CB C 13 63.000 0.30 A 69 SER N N 15 115.040 0.30 A 70 LYS H H 1 7.014 0.02 A 70 LYS HA H 1 3.997 0.02 A 70 LYS HBx H 1 1.755 0.02 A 70 LYS HBy H 1 1.755 0.02 A 70 LYS C C 13 179.053 0.30 A 70 LYS N N 15 120.218 0.30 A 71 ILE H H 1 6.922 0.02 A 71 ILE HA H 1 3.598 0.02 A 71 ILE HB H 1 1.928 0.02 A 71 ILE HD1% H 1 0.125 0.02 A 71 ILE HG1x H 1 0.592 0.02 A 71 ILE HG1y H 1 0.991 0.02 A 71 ILE HG2% H 1 0.759 0.02 A 71 ILE C C 13 180.294 0.30 A 71 ILE CA C 13 64.680 0.30 A 71 ILE CB C 13 38.279 0.30 A 71 ILE CD1 C 13 11.816 0.30 A 71 ILE CG1 C 13 28.004 0.30 A 71 ILE CG2 C 13 16.761 0.30 A 71 ILE N N 15 118.975 0.30 A 72 ILE H H 1 8.726 0.02 A 72 ILE HA H 1 3.776 0.02 A 72 ILE HB H 1 1.430 0.02 A 72 ILE HD1% H 1 0.393 0.02 A 72 ILE HG1y H 1 1.176 0.02 A 72 ILE HG1x H 1 0.869 0.02 A 72 ILE HG2% H 1 0.617 0.02 A 72 ILE CA C 13 65.602 0.30 A 72 ILE CB C 13 38.622 0.30 A 72 ILE CD1 C 13 13.628 0.30 A 72 ILE CG1 C 13 29.944 0.30 A 72 ILE CG2 C 13 16.587 0.30 A 72 ILE N N 15 124.540 0.30 A 73 PHE H H 1 8.293 0.02 A 73 PHE HA H 1 4.590 0.02 A 73 PHE HBx H 1 2.981 0.02 A 73 PHE HBy H 1 3.347 0.02 A 73 PHE HDx H 1 7.330 0.02 A 73 PHE C C 13 176.602 0.30 A 73 PHE CA C 13 58.649 0.30 A 73 PHE CB C 13 37.950 0.30 A 73 PHE CDx C 13 131.100 0.30 A 73 PHE N N 15 117.113 0.30 A 74 SER H H 1 7.637 0.02 A 74 SER HA H 1 4.199 0.02 A 74 SER HBy H 1 3.934 0.02 A 74 SER HBx H 1 3.888 0.02 A 74 SER C C 13 176.093 0.30 A 74 SER CA C 13 61.445 0.30 A 74 SER CB C 13 64.519 0.30 A 74 SER N N 15 114.748 0.30 A 75 GLY H H 1 7.991 0.02 A 75 GLY HAx H 1 3.745 0.02 A 75 GLY HAy H 1 4.037 0.02 A 75 GLY C C 13 173.992 0.30 A 75 GLY CA C 13 46.443 0.30 A 75 GLY N N 15 109.929 0.30 A 76 LYS H H 1 7.776 0.02 A 76 LYS HA H 1 4.340 0.02 A 76 LYS HBx H 1 1.770 0.02 A 76 LYS HBy H 1 1.786 0.02 A 76 LYS HDx H 1 1.585 0.02 A 76 LYS HDy H 1 1.615 0.02 A 76 LYS HEx H 1 2.914 0.02 A 76 LYS HEy H 1 2.929 0.02 A 76 LYS HGx H 1 1.322 0.02 A 76 LYS HGy H 1 1.368 0.02 A 76 LYS C C 13 174.788 0.30 A 76 LYS CA C 13 53.998 0.30 A 76 LYS CB C 13 32.695 0.30 A 76 LYS CD C 13 29.239 0.30 A 76 LYS CE C 13 42.292 0.30 A 76 LYS CG C 13 24.741 0.30 A 76 LYS N N 15 119.794 0.30 A 78 ILE H H 1 8.562 0.02 A 78 ILE HA H 1 3.830 0.02 A 78 ILE HB H 1 1.460 0.02 A 78 ILE HD1% H 1 0.840 0.02 A 78 ILE HG1x H 1 1.180 0.02 A 78 ILE HG1y H 1 1.910 0.02 A 78 ILE HG2% H 1 0.610 0.02 A 78 ILE C C 13 176.602 0.30 A 78 ILE CA C 13 65.877 0.30 A 78 ILE CB C 13 39.569 0.30 A 78 ILE CD1 C 13 14.250 0.30 A 78 ILE CG1 C 13 31.100 0.30 A 78 ILE CG2 C 13 17.370 0.30 A 78 ILE N N 15 126.035 0.30 A 79 GLU H H 1 9.338 0.02 A 79 GLU HA H 1 4.182 0.02 A 79 GLU HBy H 1 2.027 0.02 A 79 GLU HBx H 1 1.895 0.02 A 79 GLU HGx H 1 2.268 0.02 A 79 GLU HGy H 1 2.319 0.02 A 79 GLU C C 13 178.353 0.30 A 79 GLU CA C 13 60.548 0.30 A 79 GLU CB C 13 27.916 0.30 A 79 GLU CG C 13 37.401 0.30 A 79 GLU N N 15 115.634 0.30 A 80 THR H H 1 7.595 0.02 A 80 THR HA H 1 4.134 0.02 A 80 THR HB H 1 4.150 0.02 A 80 THR HG2% H 1 1.198 0.02 A 80 THR C C 13 176.507 0.30 A 80 THR CA C 13 65.576 0.30 A 80 THR CB C 13 68.662 0.30 A 80 THR CG2 C 13 21.742 0.30 A 80 THR N N 15 114.748 0.30 A 81 SER H H 1 8.425 0.02 A 81 SER HA H 1 3.937 0.02 A 81 SER HBx H 1 3.270 0.02 A 81 SER HBy H 1 3.550 0.02 A 81 SER C C 13 176.252 0.30 A 81 SER CA C 13 63.331 0.30 A 81 SER CB C 13 63.000 0.30 A 81 SER N N 15 119.172 0.30 A 82 TYR H H 1 8.578 0.02 A 82 TYR HA H 1 4.409 0.02 A 82 TYR HBy H 1 3.277 0.02 A 82 TYR HBx H 1 2.736 0.02 A 82 TYR HDx H 1 7.270 0.02 A 82 TYR HEx H 1 6.660 0.02 A 82 TYR C C 13 172.719 0.30 A 82 TYR CA C 13 60.870 0.30 A 82 TYR CB C 13 36.118 0.30 A 82 TYR CDx C 13 133.000 0.30 A 82 TYR CEx C 13 118.000 0.30 A 82 TYR N N 15 113.527 0.30 A 83 SER H H 1 7.059 0.02 A 83 SER HA H 1 4.605 0.02 A 83 SER HBy H 1 3.915 0.02 A 83 SER HBx H 1 3.841 0.02 A 83 SER C C 13 173.865 0.30 A 83 SER CA C 13 58.651 0.30 A 83 SER CB C 13 64.604 0.30 A 83 SER N N 15 109.761 0.30 A 84 ALA H H 1 6.750 0.02 A 84 ALA HA H 1 4.164 0.02 A 84 ALA HB% H 1 1.424 0.02 A 84 ALA C C 13 178.480 0.30 A 84 ALA CA C 13 52.694 0.30 A 84 ALA CB C 13 19.971 0.30 A 84 ALA N N 15 123.483 0.30 A 85 LYS H H 1 8.815 0.02 A 85 LYS HA H 1 4.462 0.02 A 85 LYS HBy H 1 1.852 0.02 A 85 LYS HBx H 1 1.775 0.02 A 85 LYS HDy H 1 1.623 0.02 A 85 LYS HEy H 1 3.019 0.02 A 85 LYS HEx H 1 2.929 0.02 A 85 LYS HGx H 1 1.348 0.02 A 85 LYS HGy H 1 1.480 0.02 A 85 LYS C C 13 179.244 0.30 A 85 LYS CA C 13 57.730 0.30 A 85 LYS CB C 13 32.370 0.30 A 85 LYS CD C 13 29.311 0.30 A 85 LYS CE C 13 42.292 0.30 A 85 LYS CG C 13 24.901 0.30 A 85 LYS N N 15 125.281 0.30 A 86 GLY H H 1 11.209 0.02 A 86 GLY HAx H 1 3.745 0.02 A 86 GLY HAy H 1 4.042 0.02 A 86 GLY C C 13 176.634 0.30 A 86 GLY CA C 13 46.443 0.30 A 86 GLY N N 15 115.963 0.30 A 87 ILE H H 1 7.544 0.02 A 87 ILE HA H 1 4.054 0.02 A 87 ILE C C 13 175.393 0.30 A 87 ILE CA C 13 61.785 0.30 A 87 ILE CB C 13 38.015 0.30 A 87 ILE CD1 C 13 14.245 0.30 A 87 ILE CG1 C 13 29.327 0.30 A 87 ILE CG2 C 13 19.272 0.30 A 87 ILE N N 15 120.475 0.30 A 88 HIS H H 1 9.372 0.02 A 88 HIS HA H 1 4.060 0.02 A 88 HIS HBx H 1 2.560 0.02 A 88 HIS HBy H 1 2.800 0.02 A 88 HIS HD2 H 1 6.830 0.02 A 88 HIS C C 13 176.125 0.30 A 88 HIS CA C 13 58.918 0.30 A 88 HIS CB C 13 30.149 0.30 A 88 HIS CD2 C 13 118.200 0.30 A 88 HIS N N 15 120.404 0.30 A 89 GLU H H 1 5.886 0.02 A 89 GLU HA H 1 3.645 0.02 A 89 GLU HGx H 1 1.455 0.02 A 89 GLU HGy H 1 1.769 0.02 A 89 GLU C C 13 179.276 0.30 A 89 GLU CA C 13 58.696 0.30 A 89 GLU CB C 13 29.062 0.30 A 89 GLU CG C 13 35.531 0.30 A 89 GLU N N 15 119.084 0.30 A 90 LYS H H 1 7.076 0.02 A 90 LYS HA H 1 3.785 0.02 A 90 LYS HBx H 1 1.724 0.02 A 90 LYS HBy H 1 1.780 0.02 A 90 LYS HDy H 1 1.615 0.02 A 90 LYS HEx H 1 2.914 0.02 A 90 LYS HEy H 1 2.945 0.02 A 90 LYS HGy H 1 1.337 0.02 A 90 LYS C C 13 178.926 0.30 A 90 LYS CA C 13 58.275 0.30 A 90 LYS CB C 13 32.780 0.30 A 90 LYS CD C 13 28.357 0.30 A 90 LYS CE C 13 42.380 0.30 A 90 LYS CG C 13 24.917 0.30 A 90 LYS N N 15 117.427 0.30 A 91 ILE H H 1 7.755 0.02 A 91 ILE HA H 1 2.873 0.02 A 91 ILE HB H 1 1.697 0.02 A 91 ILE HD1% H 1 0.909 0.02 A 91 ILE HG1y H 1 1.054 0.02 A 91 ILE HG1x H 1 1.007 0.02 A 91 ILE HG2% H 1 0.922 0.02 A 91 ILE C C 13 176.538 0.30 A 91 ILE CA C 13 65.822 0.30 A 91 ILE CB C 13 38.676 0.30 A 91 ILE CD1 C 13 13.628 0.30 A 91 ILE CG1 C 13 29.591 0.30 A 91 ILE CG2 C 13 17.420 0.30 A 91 ILE N N 15 120.212 0.30 A 93 GLU H H 1 7.928 0.02 A 93 GLU HA H 1 4.028 0.02 A 93 GLU HBx H 1 1.877 0.02 A 93 GLU HBy H 1 2.014 0.02 A 93 GLU HGy H 1 2.212 0.02 A 93 GLU HGx H 1 2.060 0.02 A 93 GLU C C 13 178.162 0.30 A 93 GLU CA C 13 59.388 0.30 A 93 GLU CB C 13 30.032 0.30 A 93 GLU CG C 13 36.118 0.30 A 93 GLU N N 15 118.993 0.30 A 94 ALA H H 1 7.395 0.02 A 94 ALA HA H 1 3.966 0.02 A 94 ALA HB% H 1 1.094 0.02 A 94 ALA C C 13 179.180 0.30 A 94 ALA CA C 13 55.389 0.30 A 94 ALA CB C 13 17.744 0.30 A 94 ALA N N 15 120.404 0.30 A 95 HIS H H 1 8.259 0.02 A 95 HIS HA H 1 4.770 0.02 A 95 HIS HBy H 1 3.330 0.02 A 95 HIS HBx H 1 2.900 0.02 A 95 HIS C C 13 176.602 0.30 A 95 HIS CA C 13 62.058 0.30 A 95 HIS CB C 13 30.849 0.30 A 95 HIS N N 15 117.539 0.30 A 96 ASP H H 1 9.181 0.02 A 96 ASP HA H 1 4.217 0.02 A 96 ASP HBy H 1 2.834 0.02 A 96 ASP HBx H 1 2.549 0.02 A 96 ASP C C 13 179.530 0.30 A 96 ASP CA C 13 57.373 0.30 A 96 ASP CB C 13 39.910 0.30 A 96 ASP N N 15 120.607 0.30 A 104 ASN H H 1 8.468 0.02 A 104 ASN HA H 1 4.683 0.02 A 104 ASN HBy H 1 2.890 0.02 A 104 ASN HBx H 1 2.673 0.02 A 104 ASN C C 13 174.056 0.30 A 104 ASN CA C 13 53.302 0.30 A 104 ASN CB C 13 38.676 0.30 A 104 ASN N N 15 116.788 0.30 A 105 ALA H H 1 7.806 0.02 A 105 ALA HA H 1 4.623 0.02 A 105 ALA HB% H 1 1.385 0.02 A 105 ALA CA C 13 50.594 0.30 A 105 ALA CB C 13 19.277 0.30 A 105 ALA N N 15 124.217 0.30 A 116 LEU H H 1 8.611 0.02 A 116 LEU HA H 1 3.643 0.02 A 116 LEU HD1% H 1 0.720 0.02 A 116 LEU HD2% H 1 0.540 0.02 A 116 LEU HG H 1 1.853 0.02 A 116 LEU C C 13 178.810 0.30 A 116 LEU CA C 13 58.959 0.30 A 116 LEU CB C 13 41.406 0.30 A 116 LEU CD1 C 13 26.120 0.30 A 116 LEU CD2 C 13 22.900 0.30 A 116 LEU CG C 13 26.159 0.30 A 116 LEU N N 15 121.650 0.30 A 117 LYS H H 1 8.430 0.02 A 117 LYS HA H 1 4.062 0.02 A 117 LYS HBx H 1 1.748 0.02 A 117 LYS HBy H 1 1.788 0.02 A 117 LYS HDx H 1 1.601 0.02 A 117 LYS HDy H 1 1.636 0.02 A 117 LYS HEx H 1 2.945 0.02 A 117 LYS HEy H 1 2.964 0.02 A 117 LYS HGx H 1 1.353 0.02 A 117 LYS HGy H 1 1.503 0.02 A 117 LYS C C 13 178.353 0.30 A 117 LYS CA C 13 58.954 0.30 A 117 LYS CB C 13 33.119 0.30 A 117 LYS CD C 13 29.311 0.30 A 117 LYS CE C 13 42.292 0.30 A 117 LYS CG C 13 24.811 0.30 A 117 LYS N N 15 115.768 0.30 A 118 LYS H H 1 7.059 0.02 A 118 LYS HA H 1 4.218 0.02 A 118 LYS HBx H 1 1.816 0.02 A 118 LYS HDx H 1 1.615 0.02 A 118 LYS HDy H 1 1.631 0.02 A 118 LYS HEx H 1 2.898 0.02 A 118 LYS HEy H 1 2.945 0.02 A 118 LYS HGx H 1 1.384 0.02 A 118 LYS C C 13 176.825 0.30 A 118 LYS CA C 13 57.051 0.30 A 118 LYS CB C 13 32.679 0.30 A 118 LYS CD C 13 29.327 0.30 A 118 LYS CE C 13 42.292 0.30 A 118 LYS CG C 13 24.917 0.30 A 118 LYS N N 15 116.508 0.30 A 119 THR H H 1 7.269 0.02 A 119 THR HA H 1 3.832 0.02 A 119 THR HB H 1 3.342 0.02 A 119 THR HG2% H 1 0.580 0.02 A 119 THR C C 13 173.196 0.30 A 119 THR CA C 13 64.253 0.30 A 119 THR CB C 13 70.800 0.30 A 119 THR CG2 C 13 21.186 0.30 A 119 THR N N 15 114.345 0.30 A 120 TYR H H 1 8.583 0.02 A 120 TYR HA H 1 4.741 0.02 A 120 TYR HBx H 1 2.456 0.02 A 120 TYR HBy H 1 2.771 0.02 A 120 TYR HDx H 1 7.010 0.02 A 120 TYR HEx H 1 6.700 0.02 A 120 TYR C C 13 173.069 0.30 A 120 TYR CA C 13 56.457 0.30 A 120 TYR CB C 13 41.945 0.30 A 120 TYR CDx C 13 133.600 0.30 A 120 TYR CEx C 13 118.000 0.30 A 120 TYR N N 15 120.810 0.30 A 122 GLY H H 1 9.066 0.02 A 122 GLY HAx H 1 3.682 0.02 A 122 GLY HAy H 1 4.191 0.02 A 122 GLY C C 13 174.692 0.30 A 122 GLY CA C 13 49.556 0.30 A 122 GLY N N 15 109.649 0.30 A 123 PRO HA H 1 4.270 0.02 A 123 PRO HDy H 1 3.730 0.02 A 123 PRO HDx H 1 3.520 0.02 A 123 PRO CA C 13 65.300 0.30 A 123 PRO CD C 13 51.100 0.30 A 124 ASP H H 1 7.255 0.02 A 124 ASP HA H 1 4.409 0.02 A 124 ASP HBy H 1 2.841 0.02 A 124 ASP HBx H 1 2.497 0.02 A 124 ASP C C 13 177.875 0.30 A 124 ASP CA C 13 56.756 0.30 A 124 ASP CB C 13 40.783 0.30 A 124 ASP N N 15 117.214 0.30 A 125 ILE H H 1 7.788 0.02 A 125 ILE HA H 1 3.125 0.02 A 125 ILE HB H 1 1.963 0.02 A 125 ILE HD1% H 1 0.751 0.02 A 125 ILE HG1y H 1 0.438 0.02 A 125 ILE HG1x H 1 0.404 0.02 A 125 ILE HG2% H 1 0.673 0.02 A 125 ILE C C 13 177.716 0.30 A 125 ILE CA C 13 66.193 0.30 A 125 ILE CB C 13 37.653 0.30 A 125 ILE CD1 C 13 13.540 0.30 A 125 ILE CG1 C 13 29.944 0.30 A 125 ILE CG2 C 13 18.038 0.30 A 125 ILE N N 15 121.791 0.30 A 126 GLU H H 1 7.475 0.02 A 126 GLU HA H 1 3.762 0.02 A 126 GLU HBy H 1 2.088 0.02 A 126 GLU HBx H 1 1.932 0.02 A 126 GLU HGy H 1 2.243 0.02 A 126 GLU HGx H 1 2.054 0.02 A 126 GLU C C 13 178.607 0.30 A 126 GLU CA C 13 59.597 0.30 A 126 GLU CB C 13 28.959 0.30 A 126 GLU CG C 13 35.501 0.30 A 126 GLU N N 15 117.819 0.30 A 127 ARG H H 1 7.045 0.02 A 127 ARG HA H 1 4.025 0.02 A 127 ARG HBy H 1 1.905 0.02 A 127 ARG HBx H 1 1.866 0.02 A 127 ARG HDx H 1 3.217 0.02 A 127 ARG HDy H 1 3.277 0.02 A 127 ARG HGx H 1 1.628 0.02 A 127 ARG C C 13 179.180 0.30 A 127 ARG CA C 13 59.573 0.30 A 127 ARG CB C 13 31.200 0.30 A 127 ARG CD C 13 44.790 0.30 A 127 ARG CG C 13 26.791 0.30 A 127 ARG N N 15 117.943 0.30 A 128 ILE H H 1 8.127 0.02 A 128 ILE HA H 1 2.678 0.02 A 128 ILE HB H 1 1.464 0.02 A 128 ILE HD1% H 1 -0.485 0.02 A 128 ILE HG1x H 1 -0.446 0.02 A 128 ILE HG1y H 1 -0.399 0.02 A 128 ILE HG2% H 1 -0.046 0.02 A 128 ILE C C 13 176.825 0.30 A 128 ILE CA C 13 66.517 0.30 A 128 ILE CB C 13 38.318 0.30 A 128 ILE CD1 C 13 13.010 0.30 A 128 ILE CG1 C 13 28.621 0.30 A 128 ILE CG2 C 13 14.951 0.30 A 128 ILE N N 15 124.994 0.30 A 129 VAL H H 1 8.300 0.02 A 129 VAL HA H 1 3.133 0.02 A 129 VAL HB H 1 1.802 0.02 A 129 VAL HG1% H 1 0.740 0.02 A 129 VAL HG2% H 1 0.763 0.02 A 129 VAL C C 13 177.589 0.30 A 129 VAL CA C 13 68.045 0.30 A 129 VAL CB C 13 31.796 0.30 A 129 VAL CG1 C 13 21.700 0.30 A 129 VAL CG2 C 13 23.702 0.30 A 129 VAL N N 15 118.228 0.30 A 130 SER H H 1 8.293 0.02 A 130 SER HA H 1 4.654 0.02 A 130 SER HBy H 1 3.748 0.02 A 130 SER C C 13 176.793 0.30 A 130 SER CA C 13 61.464 0.30 A 130 SER CB C 13 63.331 0.30 A 130 SER N N 15 112.888 0.30 A 131 THR H H 1 7.782 0.02 A 131 THR HA H 1 3.797 0.02 A 131 THR HB H 1 4.172 0.02 A 131 THR HG2% H 1 1.120 0.02 A 131 THR CA C 13 68.045 0.30 A 131 THR CG2 C 13 23.076 0.30 A 131 THR N N 15 118.885 0.30 A 132 LEU H H 1 7.996 0.02 A 132 LEU HA H 1 4.087 0.02 A 132 LEU HBx H 1 1.480 0.02 A 132 LEU HBy H 1 1.940 0.02 A 132 LEU HD1% H 1 0.690 0.02 A 132 LEU HD2% H 1 1.040 0.02 A 132 LEU HG H 1 0.670 0.02 A 132 LEU C C 13 178.416 0.30 A 132 LEU CA C 13 58.910 0.30 A 132 LEU CB C 13 41.351 0.30 A 132 LEU CD1 C 13 26.769 0.30 A 132 LEU CD2 C 13 22.712 0.30 A 132 LEU CG C 13 27.034 0.30 A 132 LEU N N 15 122.735 0.30 A 133 GLU H H 1 8.544 0.02 A 133 GLU HA H 1 3.868 0.02 A 133 GLU HBx H 1 1.901 0.02 A 133 GLU HBy H 1 2.197 0.02 A 133 GLU HGy H 1 2.431 0.02 A 133 GLU HGx H 1 2.339 0.02 A 133 GLU C C 13 178.194 0.30 A 133 GLU CA C 13 60.222 0.30 A 133 GLU CB C 13 30.849 0.30 A 133 GLU CG C 13 37.088 0.30 A 133 GLU N N 15 114.782 0.30 A 134 ARG H H 1 7.338 0.02 A 134 ARG HA H 1 4.390 0.02 A 134 ARG HBy H 1 1.855 0.02 A 134 ARG HDy H 1 3.120 0.02 A 134 ARG HDx H 1 3.098 0.02 A 134 ARG HGx H 1 1.646 0.02 A 134 ARG HGy H 1 1.739 0.02 A 134 ARG C C 13 174.724 0.30 A 134 ARG CA C 13 55.500 0.30 A 134 ARG CB C 13 30.824 0.30 A 134 ARG CD C 13 43.658 0.30 A 134 ARG CG C 13 27.220 0.30 A 134 ARG N N 15 115.376 0.30 A 135 HIS H H 1 7.416 0.02 A 135 HIS HA H 1 4.178 0.02 A 135 HIS HBx H 1 3.040 0.02 A 135 HIS HBy H 1 3.390 0.02 A 135 HIS HD2 H 1 7.670 0.02 A 135 HIS CA C 13 58.324 0.30 A 135 HIS CB C 13 33.908 0.30 A 135 HIS CD2 C 13 117.900 0.30 A 135 HIS N N 15 125.509 0.30 A 136 ASP H H 1 8.032 0.02 A 136 ASP HA H 1 4.395 0.02 A 136 ASP HBy H 1 2.663 0.02 A 136 ASP HBx H 1 2.588 0.02 A 136 ASP C C 13 178.194 0.30 A 136 ASP CA C 13 57.373 0.30 A 136 ASP CB C 13 42.650 0.30 A 136 ASP N N 15 122.902 0.30 A 137 GLU H H 1 11.989 0.02 A 137 GLU HA H 1 4.519 0.02 A 137 GLU HBx H 1 1.886 0.02 A 137 GLU HGx H 1 2.352 0.02 A 137 GLU C C 13 177.966 0.30 A 137 GLU CA C 13 56.756 0.30 A 137 GLU CB C 13 30.473 0.30 A 137 GLU CG C 13 38.587 0.30 A 137 GLU N N 15 123.963 0.30 A 138 VAL H H 1 8.755 0.02 A 138 VAL HA H 1 3.500 0.02 A 138 VAL HB H 1 2.037 0.02 A 138 VAL HG1% H 1 0.930 0.02 A 138 VAL HG2% H 1 1.050 0.02 A 138 VAL C C 13 177.684 0.30 A 138 VAL CA C 13 66.193 0.30 A 138 VAL CB C 13 31.708 0.30 A 138 VAL CG1 C 13 20.600 0.30 A 138 VAL CG2 C 13 21.700 0.30 A 138 VAL N N 15 124.971 0.30 A 139 GLY H H 1 8.989 0.02 A 139 GLY HAy H 1 3.692 0.02 A 139 GLY HAx H 1 3.150 0.02 A 139 GLY C C 13 176.252 0.30 A 139 GLY CA C 13 46.742 0.30 A 139 GLY N N 15 106.028 0.30 A 140 ALA H H 1 6.272 0.02 A 140 ALA HA H 1 3.650 0.02 A 140 ALA HB% H 1 0.856 0.02 A 140 ALA C C 13 178.225 0.30 A 140 ALA CA C 13 54.935 0.30 A 140 ALA CB C 13 17.405 0.30 A 140 ALA N N 15 123.770 0.30 A 141 LYS H H 1 7.642 0.02 A 141 LYS HA H 1 4.287 0.02 A 141 LYS HBx H 1 1.755 0.02 A 141 LYS HBy H 1 1.786 0.02 A 141 LYS HDy H 1 1.615 0.02 A 141 LYS HDx H 1 1.585 0.02 A 141 LYS HEx H 1 2.914 0.02 A 141 LYS HEy H 1 2.945 0.02 A 141 LYS HGy H 1 1.368 0.02 A 141 LYS HGx H 1 1.337 0.02 A 141 LYS C C 13 181.026 0.30 A 141 LYS CA C 13 56.756 0.30 A 141 LYS CB C 13 33.289 0.30 A 141 LYS CD C 13 29.327 0.30 A 141 LYS CE C 13 42.292 0.30 A 141 LYS CG C 13 24.829 0.30 A 141 LYS N N 15 119.495 0.30 A 142 ASP H H 1 8.479 0.02 A 142 ASP HA H 1 4.357 0.02 A 142 ASP HBx H 1 2.565 0.02 A 142 ASP HBy H 1 2.659 0.02 A 142 ASP C C 13 178.544 0.30 A 142 ASP CA C 13 57.649 0.30 A 142 ASP CB C 13 41.103 0.30 A 142 ASP N N 15 120.380 0.30 A 143 LEU H H 1 7.464 0.02 A 143 LEU HA H 1 4.234 0.02 A 143 LEU HBy H 1 2.018 0.02 A 143 LEU HBx H 1 1.637 0.02 A 143 LEU HDx% H 1 0.863 0.02 A 143 LEU HG H 1 1.580 0.02 A 143 LEU C C 13 178.798 0.30 A 143 LEU CA C 13 58.298 0.30 A 143 LEU CB C 13 40.989 0.30 A 143 LEU CDy C 13 24.917 0.30 A 143 LEU CDx C 13 22.359 0.30 A 143 LEU CG C 13 27.386 0.30 A 143 LEU N N 15 122.101 0.30 A 144 GLY H H 1 9.053 0.02 A 144 GLY HAx H 1 3.390 0.02 A 144 GLY HAy H 1 3.498 0.02 A 144 GLY C C 13 173.674 0.30 A 144 GLY CA C 13 48.904 0.30 A 144 GLY N N 15 106.857 0.30 A 145 ALA H H 1 8.214 0.02 A 145 ALA HA H 1 4.282 0.02 A 145 ALA C C 13 180.676 0.30 A 145 ALA CA C 13 54.935 0.30 A 145 ALA CB C 13 18.062 0.30 A 145 ALA N N 15 122.675 0.30 A 146 LYS H H 1 7.892 0.02 A 146 LYS HA H 1 4.095 0.02 A 146 LYS HBx H 1 1.861 0.02 A 146 LYS HBy H 1 1.861 0.02 A 146 LYS HDx H 1 1.585 0.02 A 146 LYS HDy H 1 1.615 0.02 A 146 LYS HEy H 1 2.945 0.02 A 146 LYS HEx H 1 2.914 0.02 A 146 LYS HGx H 1 1.353 0.02 A 146 LYS HGy H 1 1.368 0.02 A 146 LYS C C 13 180.453 0.30 A 146 LYS CA C 13 59.562 0.30 A 146 LYS CB C 13 32.695 0.30 A 146 LYS CD C 13 29.239 0.30 A 146 LYS CE C 13 42.380 0.30 A 146 LYS CG C 13 24.829 0.30 A 146 LYS N N 15 120.117 0.30 A 147 LEU H H 1 8.595 0.02 A 147 LEU HA H 1 4.025 0.02 A 147 LEU HD1% H 1 0.630 0.02 A 147 LEU HD2% H 1 0.770 0.02 A 147 LEU C C 13 178.162 0.30 A 147 LEU CA C 13 58.005 0.30 A 147 LEU CB C 13 42.030 0.30 A 147 LEU CD1 C 13 26.280 0.30 A 147 LEU CD2 C 13 22.640 0.30 A 147 LEU CG C 13 26.063 0.30 A 147 LEU N N 15 120.487 0.30 A 148 ARG H H 1 8.851 0.02 A 148 ARG HA H 1 3.777 0.02 A 148 ARG HBx H 1 1.708 0.02 A 148 ARG HBy H 1 1.761 0.02 A 148 ARG HDy H 1 2.939 0.02 A 148 ARG HDx H 1 2.894 0.02 A 148 ARG HGy H 1 1.529 0.02 A 148 ARG HGx H 1 1.368 0.02 A 148 ARG C C 13 178.225 0.30 A 148 ARG CA C 13 58.107 0.30 A 148 ARG CB C 13 28.593 0.30 A 148 ARG CD C 13 42.427 0.30 A 148 ARG CG C 13 24.893 0.30 A 148 ARG N N 15 120.930 0.30 A 149 ASP H H 1 7.808 0.02 A 149 ASP HA H 1 4.339 0.02 A 149 ASP HBy H 1 2.749 0.02 A 149 ASP HBx H 1 2.666 0.02 A 149 ASP C C 13 177.684 0.30 A 149 ASP CA C 13 57.686 0.30 A 149 ASP CB C 13 41.426 0.30 A 149 ASP N N 15 118.032 0.30 A 150 ALA H H 1 7.434 0.02 A 150 ALA HA H 1 4.154 0.02 A 150 ALA HB% H 1 1.519 0.02 A 150 ALA C C 13 179.594 0.30 A 150 ALA CA C 13 54.237 0.30 A 150 ALA CB C 13 18.669 0.30 A 150 ALA N N 15 119.412 0.30 A 151 LEU H H 1 7.996 0.02 A 151 LEU HA H 1 4.031 0.02 A 151 LEU HBy H 1 1.739 0.02 A 151 LEU HBx H 1 1.662 0.02 A 151 LEU HDx% H 1 0.796 0.02 A 151 LEU HDy% H 1 0.765 0.02 A 151 LEU HG H 1 1.538 0.02 A 151 LEU C C 13 178.353 0.30 A 151 LEU CA C 13 57.645 0.30 A 151 LEU CB C 13 42.380 0.30 A 151 LEU CDy C 13 24.829 0.30 A 151 LEU CDx C 13 24.388 0.30 A 151 LEU CG C 13 26.769 0.30 A 151 LEU N N 15 120.452 0.30 A 152 ASP H H 1 8.139 0.02 A 152 ASP HA H 1 4.539 0.02 A 152 ASP HBy H 1 2.714 0.02 A 152 ASP HBx H 1 2.650 0.02 A 152 ASP C C 13 176.704 0.30 A 152 ASP CA C 13 55.851 0.30 A 152 ASP CB C 13 41.426 0.30 A 152 ASP N N 15 118.685 0.30 A 153 ARG H H 1 7.654 0.02 A 153 ARG HA H 1 4.322 0.02 A 153 ARG HBy H 1 1.870 0.02 A 153 ARG HDx H 1 3.145 0.02 A 153 ARG HDy H 1 3.155 0.02 A 153 ARG HGx H 1 1.632 0.02 A 153 ARG HGy H 1 1.679 0.02 A 153 ARG C C 13 175.615 0.30 A 153 ARG CA C 13 56.168 0.30 A 153 ARG CB C 13 31.148 0.30 A 153 ARG CD C 13 43.570 0.30 A 153 ARG CG C 13 27.396 0.30 A 153 ARG N N 15 119.710 0.30 A 154 GLN H H 1 7.806 0.02 A 154 GLN HA H 1 4.077 0.02 A 154 GLN HBy H 1 2.082 0.02 A 154 GLN HBx H 1 1.917 0.02 A 154 GLN C C 13 180.676 0.30 A 154 GLN CA C 13 57.730 0.30 A 154 GLN CB C 13 30.290 0.30 A 154 GLN CG C 13 34.178 0.30 A 154 GLN N N 15 125.975 0.30 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 57 LEU H A 57 LEU HG 1.0 1.8 5.00 2 2 A 59 LYS H A 59 LYS HBx 1.0 1.8 3.19 3 2 A 59 LYS H A 59 LYS HBy 1.0 1.8 3.19 4 3 A 59 LYS H A 59 LYS HGy 1.0 1.8 4.88 5 3 A 59 LYS H A 59 LYS HGx 1.0 1.8 4.88 6 4 A 60 ALA HA A 59 LYS HBx 1.0 1.8 4.88 7 4 A 59 LYS HBy A 60 ALA HA 1.0 1.8 4.88 8 5 A 60 ALA H A 60 ALA HB% 1.0 1.8 3.30 9 6 A 60 ALA HA A 61 GLN H 1.0 1.8 3.30 10 7 A 61 GLN HA A 61 GLN HGy 1.0 1.8 3.35 11 7 A 61 GLN HA A 61 GLN HGx 1.0 1.8 3.35 12 8 A 62 ASP H A 61 GLN HGy 1.0 1.8 4.88 13 8 A 61 GLN HGx A 62 ASP H 1.0 1.8 4.88 14 9 A 64 LEU HD2% A 67 PHE HD% 1.0 1.8 3.30 15 10 A 66 LYS HA A 67 PHE H 1.0 1.8 3.30 16 11 A 67 PHE H A 66 LYS HBx 1.0 1.8 5.00 17 12 A 67 PHE H A 66 LYS HBy 1.0 1.8 5.00 18 13 A 67 PHE HD% A 67 PHE H 1.0 1.8 3.30 19 14 A 67 PHE H A 68 PHE H 1.0 1.8 3.30 20 15 A 67 PHE HA A 94 ALA HB% 1.0 1.8 5.00 21 16 A 68 PHE H A 67 PHE HBy 1.0 1.8 5.00 22 16 A 68 PHE H A 67 PHE HBx 1.0 1.8 5.00 23 17 A 67 PHE HD% A 94 ALA HB% 1.0 1.8 5.00 24 18 A 67 PHE HD% A 94 ALA HB% 1.0 1.8 5.00 25 18 A 94 ALA HB% A 67 PHE HE% 1.0 1.8 5.00 26 19 A 68 PHE H A 68 PHE HBy 1.0 1.8 3.30 27 19 A 68 PHE H A 68 PHE HBx 1.0 1.8 3.30 28 20 A 68 PHE H A 68 PHE HD% 1.0 1.8 5.00 29 21 A 69 SER H A 69 SER HA 1.0 1.8 2.90 30 22 A 71 ILE H A 71 ILE HB 1.0 1.8 3.30 31 23 A 71 ILE H A 72 ILE H 1.0 1.8 5.00 32 24 A 71 ILE HA A 71 ILE HD1% 1.0 1.8 5.00 33 25 A 71 ILE HA A 71 ILE HG2% 1.0 1.8 3.30 34 26 A 71 ILE HA A 74 SER H 1.0 1.8 5.00 35 27 A 72 ILE H A 71 ILE HG1y 1.0 1.8 5.00 36 28 A 72 ILE H A 71 ILE HG1x 1.0 1.8 5.00 37 29 A 72 ILE H A 71 ILE HD1% 1.0 1.8 5.00 38 30 A 71 ILE HD1% A 71 ILE HG2% 1.0 1.8 2.50 39 31 A 71 ILE HG2% A 71 ILE HG1y 1.0 1.8 3.35 40 31 A 71 ILE HG2% A 71 ILE HG1x 1.0 1.8 3.35 41 32 A 72 ILE H A 71 ILE HG2% 1.0 1.8 5.00 42 33 A 71 ILE HG2% A 74 SER H 1.0 1.8 5.00 43 34 A 71 ILE HG2% A 74 SER HBx 1.0 1.8 3.30 44 35 A 71 ILE HG2% A 74 SER HBy 1.0 1.8 3.30 45 36 A 72 ILE H A 73 PHE H 1.0 1.8 5.00 46 37 A 72 ILE HA A 72 ILE HD1% 1.0 1.8 3.30 47 38 A 72 ILE HA A 72 ILE HG2% 1.0 1.8 3.30 48 39 A 73 PHE H A 72 ILE HD1% 1.0 1.8 5.00 49 40 A 72 ILE HD1% A 125 ILE HA 1.0 1.8 5.00 50 41 A 72 ILE HD1% A 73 PHE HD% 1.0 1.8 5.00 51 42 A 72 ILE HG2% A 72 ILE HG1y 1.0 1.8 2.48 52 42 A 72 ILE HG2% A 72 ILE HG1x 1.0 1.8 2.48 53 43 A 72 ILE HD1% A 82 TYR HD% 1.0 1.8 5.00 54 44 A 72 ILE HD1% A 82 TYR HE% 1.0 1.8 3.30 55 45 A 73 PHE H A 73 PHE HBy 1.0 1.8 3.19 56 45 A 73 PHE H A 73 PHE HBx 1.0 1.8 3.19 57 46 A 73 PHE H A 73 PHE HD% 1.0 1.8 5.00 58 47 A 73 PHE HD% A 73 PHE HA 1.0 1.8 3.30 59 48 A 74 SER H A 73 PHE HBy 1.0 1.8 5.00 60 49 A 74 SER H A 73 PHE HBx 1.0 1.8 5.00 61 50 A 74 SER H A 74 SER HBx 1.0 1.8 3.30 62 51 A 74 SER H A 74 SER HBy 1.0 1.8 3.30 63 52 A 74 SER H A 74 SER HBx 1.0 1.8 3.30 64 52 A 74 SER H A 74 SER HBy 1.0 1.8 3.30 65 53 A 75 GLY H A 76 LYS H 1.0 1.8 5.00 66 54 A 78 ILE H A 78 ILE HG1y 1.0 1.8 5.00 67 55 A 78 ILE H A 78 ILE HG1x 1.0 1.8 5.00 68 56 A 78 ILE H A 78 ILE HG2% 1.0 1.8 5.00 69 57 A 78 ILE HA A 78 ILE HG1y 1.0 1.8 3.30 70 57 A 78 ILE HA A 78 ILE HG1x 1.0 1.8 3.30 71 58 A 82 TYR HD% A 78 ILE HA 1.0 1.8 5.00 72 59 A 82 TYR HE% A 78 ILE HA 1.0 1.8 5.00 73 60 A 78 ILE HB A 79 GLU H 1.0 1.8 5.00 74 61 A 82 TYR HE% A 78 ILE HG1y 1.0 1.8 5.00 75 62 A 82 TYR HE% A 78 ILE HG1x 1.0 1.8 5.00 76 63 A 128 ILE HA A 78 ILE HG1y 1.0 1.8 5.00 77 64 A 78 ILE HG1x A 128 ILE HA 1.0 1.8 5.00 78 65 A 128 ILE HD1% A 78 ILE HG1y 1.0 1.8 5.00 79 66 A 78 ILE HG1x A 128 ILE HD1% 1.0 1.8 5.00 80 67 A 78 ILE H A 79 GLU H 1.0 1.8 5.00 81 68 A 78 ILE H A 79 GLU HBy 1.0 1.8 4.88 82 68 A 78 ILE H A 79 GLU HBx 1.0 1.8 4.88 83 69 A 78 ILE HA A 81 SER H 1.0 1.8 5.00 84 70 A 79 GLU H A 79 GLU HA 1.0 1.8 2.90 85 71 A 79 GLU H A 79 GLU HBy 1.0 1.8 2.85 86 71 A 79 GLU H A 79 GLU HBx 1.0 1.8 2.85 87 72 A 79 GLU H A 79 GLU HGx 1.0 1.8 5.00 88 72 A 79 GLU H A 79 GLU HGy 1.0 1.8 5.00 89 73 A 79 GLU H A 80 THR H 1.0 1.8 2.90 90 74 A 79 GLU HA A 79 GLU HGx 1.0 1.8 3.19 91 74 A 79 GLU HA A 79 GLU HGy 1.0 1.8 3.19 92 75 A 80 THR H A 79 GLU HBy 1.0 1.8 2.87 93 75 A 79 GLU HBx A 80 THR H 1.0 1.8 2.87 94 76 A 80 THR H A 79 GLU HGx 1.0 1.8 3.26 95 76 A 79 GLU HGy A 80 THR H 1.0 1.8 3.26 96 77 A 80 THR H A 80 THR HB 1.0 1.8 3.30 97 78 A 80 THR H A 80 THR HG2% 1.0 1.8 5.00 98 79 A 81 SER H A 80 THR H 1.0 1.8 2.90 99 80 A 80 THR HG2% A 80 THR HA 1.0 1.8 2.50 100 81 A 80 THR HA A 83 SER HBx 1.0 1.8 3.30 101 82 A 80 THR HA A 83 SER HBy 1.0 1.8 3.30 102 83 A 81 SER H A 80 THR HB 1.0 1.8 3.30 103 84 A 80 THR HB A 81 SER HA 1.0 1.8 5.00 104 85 A 81 SER H A 80 THR HG2% 1.0 1.8 3.30 105 86 A 81 SER H A 81 SER HBy 1.0 1.8 5.00 106 86 A 81 SER H A 81 SER HBx 1.0 1.8 5.00 107 87 A 81 SER H A 82 TYR H 1.0 1.8 3.30 108 88 A 81 SER HA A 84 ALA H 1.0 1.8 5.00 109 89 A 81 SER HA A 84 ALA HB% 1.0 1.8 5.00 110 90 A 71 ILE HG2% A 81 SER HA 1.0 1.8 5.00 111 91 A 71 ILE HG2% A 81 SER HBy 1.0 1.8 3.30 112 92 A 71 ILE HG2% A 81 SER HBx 1.0 1.8 3.30 113 93 A 82 TYR H A 82 TYR HBx 1.0 1.8 3.30 114 93 A 82 TYR H A 82 TYR HBy 1.0 1.8 3.30 115 94 A 82 TYR H A 81 SER HBy 1.0 1.8 3.30 116 94 A 81 SER HBx A 82 TYR H 1.0 1.8 3.30 117 95 A 82 TYR H A 131 THR HG2% 1.0 1.8 5.00 118 96 A 82 TYR H A 83 SER H 1.0 1.8 3.30 119 97 A 82 TYR HD% A 82 TYR HA 1.0 1.8 3.30 120 98 A 84 ALA H A 82 TYR HA 1.0 1.8 5.00 121 99 A 82 TYR HA A 87 ILE HD11 1.0 1.8 3.30 122 100 A 83 SER H A 82 TYR HBx 1.0 1.8 5.00 123 101 A 131 THR HG2% A 82 TYR HBx 1.0 1.8 3.30 124 102 A 82 TYR HBy A 83 SER H 1.0 1.8 5.00 125 103 A 82 TYR HBy A 131 THR HG2% 1.0 1.8 3.30 126 104 A 87 ILE HD11 A 82 TYR HBx 1.0 1.8 4.88 127 104 A 82 TYR HBy A 87 ILE HD11 1.0 1.8 4.88 128 105 A 82 TYR HD% A 128 ILE HG2% 1.0 1.8 5.00 129 106 A 82 TYR HD% A 131 THR HG2% 1.0 1.8 3.30 130 107 A 82 TYR HE% A 87 ILE HD11 1.0 1.8 3.30 131 108 A 82 TYR HE% A 128 ILE HG2% 1.0 1.8 5.00 132 109 A 82 TYR HE% A 131 THR HG2% 1.0 1.8 5.00 133 110 A 83 SER H A 83 SER HBx 1.0 1.8 3.34 134 110 A 83 SER H A 83 SER HBy 1.0 1.8 3.34 135 111 A 84 ALA H A 83 SER H 1.0 1.8 2.90 136 112 A 84 ALA HB% A 83 SER H 1.0 1.8 5.00 137 113 A 131 THR HG2% A 83 SER H 1.0 1.8 5.00 138 114 A 83 SER HA A 83 SER HBx 1.0 1.8 2.39 139 114 A 83 SER HBy A 83 SER HA 1.0 1.8 2.39 140 115 A 131 THR HG2% A 83 SER HBx 1.0 1.8 5.00 141 116 A 131 THR HG2% A 83 SER HBy 1.0 1.8 5.00 142 117 A 83 SER HA A 135 HIS HD2 1.0 1.8 3.30 143 118 A 84 ALA H A 84 ALA HB% 1.0 1.8 2.50 144 119 A 84 ALA HA A 85 LYS H 1.0 1.8 3.30 145 120 A 84 ALA HB% A 85 LYS H 1.0 1.8 3.30 146 121 A 84 ALA HB% A 87 ILE H 1.0 1.8 5.00 147 122 A 85 LYS H A 85 LYS HBy 1.0 1.8 2.85 148 122 A 85 LYS H A 85 LYS HBx 1.0 1.8 2.85 149 123 A 85 LYS H A 85 LYS HGx 1.0 1.8 2.87 150 123 A 85 LYS H A 85 LYS HGy 1.0 1.8 2.87 151 124 A 85 LYS HA A 86 GLY H 1.0 1.8 2.50 152 125 A 85 LYS HBx A 85 LYS HDx 1.0 1.8 3.13 153 125 A 85 LYS HBy A 85 LYS HDx 1.0 1.8 3.13 154 125 A 85 LYS HDy A 85 LYS HBy 1.0 1.8 3.13 155 125 A 85 LYS HBx A 85 LYS HDy 1.0 1.8 3.13 156 126 A 86 GLY H A 85 LYS HBy 1.0 1.8 5.00 157 126 A 85 LYS HBx A 86 GLY H 1.0 1.8 5.00 158 127 A 86 GLY H A 85 LYS HGx 1.0 1.8 4.88 159 127 A 85 LYS HGy A 86 GLY H 1.0 1.8 4.88 160 128 A 140 ALA HB% A 86 GLY HAx 1.0 1.8 5.00 161 128 A 86 GLY HAy A 140 ALA HB% 1.0 1.8 5.00 162 129 A 87 ILE H A 87 ILE HB 1.0 1.8 3.50 163 130 A 87 ILE HD11 A 87 ILE H 1.0 1.8 5.00 164 131 A 87 ILE H A 87 ILE HG21 1.0 1.8 2.90 165 132 A 87 ILE H A 85 LYS HA 1.0 1.8 5.00 166 133 A 87 ILE H A 86 GLY HAx 1.0 1.8 3.30 167 133 A 87 ILE H A 86 GLY HAy 1.0 1.8 3.30 168 134 A 87 ILE H A 88 HIS H 1.0 1.8 3.30 169 135 A 87 ILE H A 86 GLY H 1.0 1.8 3.30 170 136 A 87 ILE HD11 A 87 ILE HA 1.0 1.8 5.00 171 137 A 87 ILE HA A 90 LYS H 1.0 1.8 5.00 172 138 A 87 ILE HA A 90 LYS HBx 1.0 1.8 4.88 173 138 A 87 ILE HA A 90 LYS HBy 1.0 1.8 4.88 174 139 A 82 TYR HA A 87 ILE HG21 1.0 1.8 3.30 175 140 A 82 TYR HD% A 87 ILE HG21 1.0 1.8 5.00 176 141 A 82 TYR HE% A 87 ILE HG21 1.0 1.8 5.00 177 142 A 87 ILE HG21 A 88 HIS H 1.0 1.8 2.90 178 143 A 135 HIS HD2 A 87 ILE HG21 1.0 1.8 5.00 179 144 A 87 ILE HD11 A 88 HIS HA 1.0 1.8 5.00 180 145 A 82 TYR HD% A 87 ILE HD11 1.0 1.8 5.00 181 146 A 88 HIS H A 89 GLU H 1.0 1.8 3.30 182 147 A 140 ALA HB% A 88 HIS H 1.0 1.8 2.90 183 148 A 140 ALA HA A 88 HIS HBy 1.0 1.8 2.80 184 149 A 140 ALA HB% A 88 HIS HBy 1.0 1.8 2.90 185 150 A 140 ALA HA A 88 HIS HBx 1.0 1.8 2.80 186 151 A 140 ALA HB% A 88 HIS HBx 1.0 1.8 2.90 187 152 A 88 HIS HBy A 143 LEU HDx% 1.0 1.8 3.30 188 152 A 143 LEU HD21 A 88 HIS HBx 1.0 1.8 3.30 189 152 A 88 HIS HBy A 143 LEU HD21 1.0 1.8 3.30 190 152 A 88 HIS HBx A 143 LEU HDx% 1.0 1.8 3.30 191 153 A 88 HIS HD2 A 139 GLY HAx 1.0 1.8 5.00 192 154 A 88 HIS HD2 A 139 GLY HAy 1.0 1.8 5.00 193 155 A 89 GLU H A 89 GLU HGx 1.0 1.8 5.00 194 155 A 89 GLU H A 89 GLU HGy 1.0 1.8 5.00 195 156 A 90 LYS H A 89 GLU H 1.0 1.8 5.00 196 157 A 90 LYS H A 90 LYS HDx 1.0 1.8 4.88 197 157 A 90 LYS H A 90 LYS HDy 1.0 1.8 4.88 198 158 A 90 LYS H A 91 ILE H 1.0 1.8 2.90 199 159 A 90 LYS HA A 93 GLU H 1.0 1.8 3.50 200 160 A 91 ILE H A 90 LYS HBx 1.0 1.8 3.45 201 160 A 90 LYS HBy A 91 ILE H 1.0 1.8 3.45 202 161 A 90 LYS HEy A 90 LYS HGx 1.0 1.8 3.13 203 161 A 90 LYS HGy A 90 LYS HEx 1.0 1.8 3.13 204 161 A 90 LYS HGy A 90 LYS HEy 1.0 1.8 3.13 205 161 A 90 LYS HEx A 90 LYS HGx 1.0 1.8 3.13 206 162 A 88 HIS HA A 91 ILE H 1.0 1.8 5.00 207 163 A 94 ALA HB% A 91 ILE HA 1.0 1.8 5.00 208 164 A 93 GLU H A 93 GLU HBy 1.0 1.8 2.90 209 165 A 93 GLU H A 93 GLU HBx 1.0 1.8 2.90 210 166 A 93 GLU H A 93 GLU HGx 1.0 1.8 5.00 211 167 A 93 GLU H A 93 GLU HGy 1.0 1.8 5.00 212 168 A 93 GLU H A 94 ALA H 1.0 1.8 3.30 213 169 A 93 GLU HA A 96 ASP H 1.0 1.8 5.00 214 170 A 93 GLU HA A 96 ASP HBx 1.0 1.8 3.30 215 171 A 93 GLU HA A 96 ASP HBy 1.0 1.8 3.30 216 172 A 93 GLU HGx A 94 ALA H 1.0 1.8 5.00 217 173 A 93 GLU HGy A 94 ALA H 1.0 1.8 5.00 218 174 A 94 ALA H A 93 GLU HBx 1.0 1.8 3.30 219 174 A 94 ALA H A 93 GLU HBy 1.0 1.8 3.30 220 175 A 94 ALA HA A 93 GLU HBx 1.0 1.8 4.88 221 175 A 93 GLU HBy A 94 ALA HA 1.0 1.8 4.88 222 176 A 94 ALA HB% A 94 ALA H 1.0 1.8 2.90 223 177 A 94 ALA H A 95 HIS H 1.0 1.8 3.30 224 178 A 94 ALA HB% A 95 HIS H 1.0 1.8 3.50 225 179 A 94 ALA HB% A 93 GLU HBy 1.0 1.8 5.00 226 180 A 94 ALA HB% A 67 PHE HBy 1.0 1.8 5.00 227 181 A 94 ALA HB% A 67 PHE HBx 1.0 1.8 5.00 228 182 A 95 HIS H A 95 HIS HBy 1.0 1.8 3.50 229 182 A 95 HIS H A 95 HIS HBx 1.0 1.8 3.50 230 183 A 96 ASP H A 95 HIS H 1.0 1.8 3.30 231 184 A 96 ASP H A 95 HIS HA 1.0 1.8 3.50 232 185 A 96 ASP H A 95 HIS HBy 1.0 1.8 3.26 233 185 A 96 ASP H A 95 HIS HBx 1.0 1.8 3.26 234 186 A 96 ASP H A 96 ASP HBx 1.0 1.8 3.50 235 187 A 96 ASP H A 96 ASP HBy 1.0 1.8 3.50 236 188 A 96 ASP H A 96 ASP HBx 1.0 1.8 3.02 237 188 A 96 ASP H A 96 ASP HBy 1.0 1.8 3.02 238 189 A 116 LEU H A 116 LEU HG 1.0 1.8 3.50 239 190 A 116 LEU H A 116 LEU HBx 1.0 1.8 3.19 240 190 A 116 LEU H A 116 LEU HBy 1.0 1.8 3.19 241 191 A 116 LEU H A 116 LEU HD1% 1.0 1.8 3.30 242 192 A 116 LEU HA A 116 LEU HD2% 1.0 1.8 3.30 243 193 A 116 LEU HA A 120 TYR HD% 1.0 1.8 5.00 244 194 A 116 LEU HA A 125 ILE HG1x 1.0 1.8 5.00 245 194 A 116 LEU HA A 125 ILE HG1y 1.0 1.8 5.00 246 195 A 116 LEU HA A 125 ILE HD1% 1.0 1.8 5.00 247 196 A 128 ILE HD1% A 116 LEU HD1% 1.0 1.8 3.30 248 197 A 128 ILE HG2% A 116 LEU HD1% 1.0 1.8 5.00 249 198 A 116 LEU HD2% A 120 TYR HD% 1.0 1.8 3.30 250 199 A 116 LEU HD2% A 120 TYR HE% 1.0 1.8 5.00 251 200 A 128 ILE HD1% A 116 LEU HD2% 1.0 1.8 3.30 252 201 A 117 LYS H A 117 LYS HBx 1.0 1.8 3.34 253 201 A 117 LYS H A 117 LYS HBy 1.0 1.8 3.34 254 202 A 117 LYS H A 118 LYS H 1.0 1.8 5.00 255 203 A 125 ILE HD1% A 117 LYS H 1.0 1.8 5.00 256 204 A 117 LYS HA A 120 TYR H 1.0 1.8 5.00 257 205 A 125 ILE HD1% A 117 LYS HA 1.0 1.8 3.30 258 206 A 118 LYS H A 117 LYS HBx 1.0 1.8 3.45 259 206 A 117 LYS HBy A 118 LYS H 1.0 1.8 3.45 260 207 A 118 LYS H A 117 LYS HGx 1.0 1.8 4.88 261 207 A 118 LYS H A 117 LYS HGy 1.0 1.8 4.88 262 208 A 118 LYS HBx A 118 LYS HEx 1.0 1.8 4.75 263 208 A 118 LYS HBy A 118 LYS HEx 1.0 1.8 4.75 264 208 A 118 LYS HEy A 118 LYS HBx 1.0 1.8 4.75 265 208 A 118 LYS HBy A 118 LYS HEy 1.0 1.8 4.75 266 209 A 119 THR H A 118 LYS HBx 1.0 1.8 3.26 267 209 A 118 LYS HBy A 119 THR H 1.0 1.8 3.26 268 210 A 119 THR H A 119 THR HB 1.0 1.8 3.30 269 211 A 119 THR H A 119 THR HG2% 1.0 1.8 5.00 270 212 A 116 LEU HA A 119 THR H 1.0 1.8 5.00 271 213 A 118 LYS H A 119 THR H 1.0 1.8 3.30 272 214 A 120 TYR H A 119 THR H 1.0 1.8 2.90 273 215 A 120 TYR H A 119 THR HB 1.0 1.8 5.00 274 216 A 120 TYR H A 120 TYR HBy 1.0 1.8 3.30 275 216 A 120 TYR H A 120 TYR HBx 1.0 1.8 3.30 276 217 A 120 TYR HD% A 120 TYR H 1.0 1.8 5.00 277 218 A 120 TYR HD% A 120 TYR HA 1.0 1.8 5.00 278 219 A 125 ILE HD1% A 120 TYR HBy 1.0 1.8 5.00 279 220 A 125 ILE HD1% A 120 TYR HBx 1.0 1.8 5.00 280 221 A 125 ILE HG1y A 120 TYR HBy 1.0 1.8 5.00 281 221 A 120 TYR HBy A 125 ILE HG1x 1.0 1.8 5.00 282 222 A 125 ILE HG1y A 120 TYR HBx 1.0 1.8 5.00 283 222 A 120 TYR HBx A 125 ILE HG1x 1.0 1.8 5.00 284 223 A 128 ILE HD1% A 120 TYR HD% 1.0 1.8 5.00 285 224 A 128 ILE HD1% A 120 TYR HE% 1.0 1.8 3.30 286 225 A 122 GLY H A 123 PRO HDx 1.0 1.8 5.00 287 226 A 122 GLY H A 123 PRO HDy 1.0 1.8 5.00 288 227 A 125 ILE H A 122 GLY HAy 1.0 1.8 5.00 289 228 A 125 ILE H A 122 GLY HAx 1.0 1.8 5.00 290 229 A 125 ILE HB A 122 GLY HAy 1.0 1.8 5.00 291 230 A 125 ILE HD1% A 122 GLY HAy 1.0 1.8 5.00 292 230 A 125 ILE HD1% A 122 GLY HAx 1.0 1.8 5.00 293 231 A 125 ILE HB A 122 GLY HAx 1.0 1.8 5.00 294 232 A 123 PRO HA A 124 ASP H 1.0 1.8 5.00 295 233 A 124 ASP H A 123 PRO HDy 1.0 1.8 5.00 296 233 A 124 ASP H A 123 PRO HDx 1.0 1.8 5.00 297 234 A 124 ASP H A 124 ASP HBx 1.0 1.8 3.50 298 234 A 124 ASP H A 124 ASP HBy 1.0 1.8 3.50 299 235 A 124 ASP H A 124 ASP HBx 1.0 1.8 2.77 300 235 A 124 ASP H A 124 ASP HBy 1.0 1.8 2.77 301 236 A 125 ILE H A 124 ASP H 1.0 1.8 2.90 302 237 A 124 ASP HA A 127 ARG H 1.0 1.8 5.00 303 238 A 124 ASP HA A 127 ARG HBx 1.0 1.8 5.00 304 239 A 124 ASP HA A 127 ARG HBy 1.0 1.8 5.00 305 240 A 125 ILE H A 124 ASP HBx 1.0 1.8 5.00 306 241 A 125 ILE H A 124 ASP HBy 1.0 1.8 5.00 307 242 A 128 ILE HD1% A 124 ASP HBx 1.0 1.8 4.88 308 242 A 128 ILE HD1% A 124 ASP HBy 1.0 1.8 4.88 309 243 A 125 ILE H A 125 ILE HB 1.0 1.8 2.90 310 244 A 125 ILE H A 125 ILE HG1x 1.0 1.8 5.00 311 245 A 125 ILE HG1y A 125 ILE H 1.0 1.8 5.00 312 246 A 125 ILE HD1% A 125 ILE H 1.0 1.8 3.30 313 247 A 125 ILE H A 125 ILE HG2% 1.0 1.8 5.00 314 248 A 125 ILE H A 126 GLU H 1.0 1.8 2.90 315 249 A 125 ILE HA A 125 ILE HG2% 1.0 1.8 3.30 316 250 A 125 ILE HA A 128 ILE H 1.0 1.8 5.00 317 251 A 125 ILE HA A 128 ILE HB 1.0 1.8 5.00 318 252 A 125 ILE HA A 128 ILE HG2% 1.0 1.8 5.00 319 253 A 125 ILE HA A 128 ILE HD1% 1.0 1.8 3.30 320 254 A 125 ILE HB A 126 GLU H 1.0 1.8 3.30 321 255 A 126 GLU H A 125 ILE HG1x 1.0 1.8 4.88 322 255 A 125 ILE HG1y A 126 GLU H 1.0 1.8 4.88 323 256 A 128 ILE HD1% A 125 ILE HD1% 1.0 1.8 5.00 324 257 A 126 GLU H A 126 GLU HA 1.0 1.8 2.90 325 258 A 126 GLU H A 126 GLU HGy 1.0 1.8 3.45 326 258 A 126 GLU H A 126 GLU HGx 1.0 1.8 3.45 327 259 A 127 ARG H A 126 GLU H 1.0 1.8 2.90 328 260 A 126 GLU H A 127 ARG HDx 1.0 1.8 5.00 329 260 A 126 GLU H A 127 ARG HDy 1.0 1.8 5.00 330 261 A 126 GLU HA A 126 GLU HBy 1.0 1.8 2.39 331 261 A 126 GLU HA A 126 GLU HBx 1.0 1.8 2.39 332 262 A 126 GLU HA A 126 GLU HGy 1.0 1.8 3.19 333 262 A 126 GLU HA A 126 GLU HGx 1.0 1.8 3.19 334 263 A 126 GLU HA A 129 VAL H 1.0 1.8 5.00 335 264 A 127 ARG H A 126 GLU HBx 1.0 1.8 5.00 336 265 A 127 ARG H A 126 GLU HBy 1.0 1.8 5.00 337 266 A 127 ARG H A 126 GLU HGx 1.0 1.8 5.00 338 267 A 127 ARG H A 126 GLU HGy 1.0 1.8 5.00 339 268 A 127 ARG H A 127 ARG HDx 1.0 1.8 5.00 340 268 A 127 ARG H A 127 ARG HDy 1.0 1.8 5.00 341 269 A 127 ARG H A 128 ILE H 1.0 1.8 3.30 342 270 A 128 ILE H A 128 ILE HB 1.0 1.8 3.30 343 271 A 128 ILE HD1% A 128 ILE H 1.0 1.8 5.00 344 272 A 128 ILE H A 128 ILE HG1x 1.0 1.8 5.00 345 272 A 128 ILE H A 128 ILE HG1y 1.0 1.8 5.00 346 273 A 128 ILE HG2% A 128 ILE H 1.0 1.8 5.00 347 274 A 128 ILE H A 129 VAL H 1.0 1.8 5.00 348 275 A 128 ILE HA A 128 ILE HD1% 1.0 1.8 5.00 349 276 A 128 ILE HA A 128 ILE HG2% 1.0 1.8 3.30 350 277 A 128 ILE HA A 131 THR H 1.0 1.8 5.00 351 278 A 128 ILE HA A 131 THR HB 1.0 1.8 3.30 352 279 A 128 ILE HD1% A 128 ILE HB 1.0 1.8 3.30 353 280 A 128 ILE HB A 129 VAL H 1.0 1.8 3.30 354 281 A 128 ILE HB A 147 LEU HD1% 1.0 1.8 5.00 355 282 A 128 ILE HB A 147 LEU HD2% 1.0 1.8 5.00 356 283 A 128 ILE HD1% A 129 VAL H 1.0 1.8 5.00 357 284 A 128 ILE HD1% A 147 LEU HD1% 1.0 1.8 3.30 358 285 A 128 ILE HD1% A 128 ILE HG2% 1.0 1.8 2.50 359 286 A 128 ILE HG2% A 129 VAL H 1.0 1.8 3.30 360 287 A 128 ILE HG2% A 129 VAL HA 1.0 1.8 5.00 361 288 A 128 ILE HG2% A 129 VAL HG2% 1.0 1.8 5.00 362 289 A 128 ILE HG2% A 132 LEU HD1% 1.0 1.8 3.30 363 290 A 128 ILE HG2% A 132 LEU HD2% 1.0 1.8 5.00 364 291 A 128 ILE HG2% A 147 LEU HD1% 1.0 1.8 3.30 365 292 A 129 VAL H A 129 VAL HG2% 1.0 1.8 5.00 366 293 A 129 VAL H A 129 VAL HG1% 1.0 1.8 3.50 367 294 A 129 VAL H A 130 SER H 1.0 1.8 2.90 368 295 A 129 VAL HA A 129 VAL HG2% 1.0 1.8 3.30 369 296 A 129 VAL HA A 129 VAL HG1% 1.0 1.8 3.30 370 297 A 129 VAL HA A 132 LEU H 1.0 1.8 5.00 371 298 A 129 VAL HA A 132 LEU HBy 1.0 1.8 5.00 372 299 A 129 VAL HA A 132 LEU HBx 1.0 1.8 5.00 373 300 A 129 VAL HA A 132 LEU HD2% 1.0 1.8 5.00 374 301 A 147 LEU HD1% A 129 VAL HA 1.0 1.8 5.00 375 302 A 129 VAL HA A 148 ARG H 1.0 1.8 5.00 376 303 A 130 SER H A 129 VAL HB 1.0 1.8 5.00 377 304 A 129 VAL HG2% A 147 LEU H 1.0 1.8 5.00 378 305 A 129 VAL HG2% A 148 ARG H 1.0 1.8 3.30 379 306 A 129 VAL HG2% A 148 ARG HA 1.0 1.8 2.50 380 307 A 129 VAL HG1% A 130 SER H 1.0 1.8 3.50 381 308 A 129 VAL HG1% A 130 SER HBy 1.0 1.8 3.45 382 308 A 129 VAL HG1% A 130 SER HBx 1.0 1.8 3.45 383 309 A 129 VAL HG1% A 148 ARG HA 1.0 1.8 5.00 384 310 A 130 SER H A 130 SER HBy 1.0 1.8 3.50 385 311 A 130 SER H A 130 SER HBx 1.0 1.8 3.50 386 312 A 130 SER H A 130 SER HBy 1.0 1.8 3.02 387 312 A 130 SER H A 130 SER HBx 1.0 1.8 3.02 388 313 A 131 THR H A 130 SER H 1.0 1.8 5.00 389 314 A 131 THR H A 131 THR HA 1.0 1.8 2.90 390 315 A 131 THR H A 131 THR HB 1.0 1.8 3.50 391 316 A 131 THR HG2% A 131 THR H 1.0 1.8 5.00 392 317 A 131 THR H A 132 LEU H 1.0 1.8 5.00 393 318 A 131 THR HA A 134 ARG H 1.0 1.8 5.00 394 319 A 131 THR HA A 134 ARG HBy 1.0 1.8 3.30 395 320 A 131 THR HA A 134 ARG HBx 1.0 1.8 3.30 396 321 A 131 THR HA A 134 ARG HGx 1.0 1.8 4.88 397 321 A 131 THR HA A 134 ARG HGy 1.0 1.8 4.88 398 322 A 131 THR HB A 132 LEU H 1.0 1.8 3.50 399 323 A 131 THR HG2% A 132 LEU H 1.0 1.8 5.00 400 324 A 131 THR HG2% A 134 ARG H 1.0 1.8 5.00 401 325 A 132 LEU H A 132 LEU HBy 1.0 1.8 3.50 402 325 A 132 LEU H A 132 LEU HBx 1.0 1.8 3.50 403 326 A 132 LEU HD1% A 132 LEU H 1.0 1.8 5.00 404 327 A 132 LEU H A 133 GLU H 1.0 1.8 3.30 405 328 A 132 LEU HD1% A 132 LEU HA 1.0 1.8 5.00 406 329 A 132 LEU HA A 135 HIS H 1.0 1.8 5.00 407 330 A 132 LEU HBx A 144 GLY HAy 1.0 1.8 3.30 408 330 A 132 LEU HBy A 144 GLY HAy 1.0 1.8 3.30 409 330 A 144 GLY HAx A 132 LEU HBy 1.0 1.8 3.30 410 330 A 132 LEU HBx A 144 GLY HAx 1.0 1.8 3.30 411 331 A 132 LEU HD1% A 132 LEU HBy 1.0 1.8 3.19 412 331 A 132 LEU HD1% A 132 LEU HBx 1.0 1.8 3.19 413 332 A 132 LEU HBx A 137 GLU HGx 1.0 1.8 4.75 414 332 A 132 LEU HBy A 137 GLU HGx 1.0 1.8 4.75 415 332 A 137 GLU HGy A 132 LEU HBy 1.0 1.8 4.75 416 332 A 132 LEU HBx A 137 GLU HGy 1.0 1.8 4.75 417 333 A 132 LEU HD1% A 144 GLY HAy 1.0 1.8 3.30 418 334 A 132 LEU HD1% A 144 GLY HAx 1.0 1.8 3.30 419 335 A 132 LEU HD2% A 144 GLY HAy 1.0 1.8 5.00 420 336 A 132 LEU HD2% A 144 GLY HAx 1.0 1.8 5.00 421 337 A 133 GLU H A 133 GLU HBx 1.0 1.8 3.34 422 337 A 133 GLU H A 133 GLU HBy 1.0 1.8 3.34 423 338 A 133 GLU H A 133 GLU HGy 1.0 1.8 2.87 424 338 A 133 GLU H A 133 GLU HGx 1.0 1.8 2.87 425 339 A 134 ARG H A 133 GLU H 1.0 1.8 2.90 426 340 A 134 ARG H A 133 GLU HA 1.0 1.8 3.30 427 341 A 133 GLU HA A 136 ASP H 1.0 1.8 5.00 428 342 A 134 ARG H A 133 GLU HGy 1.0 1.8 4.88 429 342 A 134 ARG H A 133 GLU HGx 1.0 1.8 4.88 430 343 A 134 ARG H A 134 ARG HA 1.0 1.8 2.90 431 344 A 134 ARG H A 134 ARG HGy 1.0 1.8 5.00 432 345 A 134 ARG H A 134 ARG HGx 1.0 1.8 5.00 433 346 A 134 ARG H A 134 ARG HBy 1.0 1.8 2.85 434 346 A 134 ARG H A 134 ARG HBx 1.0 1.8 2.85 435 347 A 134 ARG H A 134 ARG HDy 1.0 1.8 4.88 436 347 A 134 ARG H A 134 ARG HDx 1.0 1.8 4.88 437 348 A 134 ARG H A 135 HIS H 1.0 1.8 2.90 438 349 A 134 ARG HA A 134 ARG HDy 1.0 1.8 4.88 439 349 A 134 ARG HA A 134 ARG HDx 1.0 1.8 4.88 440 350 A 134 ARG HGy A 135 HIS H 1.0 1.8 5.00 441 351 A 135 HIS H A 134 ARG HGx 1.0 1.8 5.00 442 352 A 135 HIS H A 134 ARG HDy 1.0 1.8 3.45 443 352 A 135 HIS H A 134 ARG HDx 1.0 1.8 3.45 444 353 A 135 HIS H A 135 HIS HA 1.0 1.8 2.90 445 354 A 135 HIS H A 135 HIS HBx 1.0 1.8 3.30 446 354 A 135 HIS H A 135 HIS HBy 1.0 1.8 3.30 447 355 A 135 HIS H A 135 HIS HBx 1.0 1.8 2.72 448 355 A 135 HIS H A 135 HIS HBy 1.0 1.8 2.72 449 356 A 135 HIS HD2 A 135 HIS H 1.0 1.8 5.00 450 357 A 135 HIS HD2 A 135 HIS HA 1.0 1.8 5.00 451 358 A 136 ASP H A 135 HIS HA 1.0 1.8 5.00 452 359 A 136 ASP H A 136 ASP HBx 1.0 1.8 3.50 453 360 A 136 ASP H A 136 ASP HBx 1.0 2.0 3.50 454 360 A 136 ASP H A 136 ASP HBy 1.0 2.0 3.50 455 361 A 136 ASP H A 137 GLU H 1.0 1.8 2.90 456 362 A 136 ASP HA A 136 ASP HBx 1.0 1.8 3.30 457 362 A 136 ASP HBy A 136 ASP HA 1.0 1.8 3.30 458 363 A 137 GLU H A 136 ASP HBx 1.0 1.8 5.00 459 363 A 136 ASP HBy A 137 GLU H 1.0 1.8 5.00 460 364 A 137 GLU H A 137 GLU HGx 1.0 1.8 3.26 461 364 A 137 GLU HGy A 137 GLU H 1.0 1.8 3.26 462 365 A 137 GLU HA A 137 GLU HGx 1.0 1.8 3.30 463 365 A 137 GLU HGy A 137 GLU HA 1.0 1.8 3.30 464 366 A 137 GLU HA A 138 VAL H 1.0 1.8 2.50 465 367 A 137 GLU HA A 138 VAL HG1% 1.0 1.8 5.00 466 368 A 138 VAL H A 137 GLU HGx 1.0 1.8 5.00 467 368 A 137 GLU HGy A 138 VAL H 1.0 1.8 5.00 468 369 A 138 VAL H A 138 VAL HG2% 1.0 1.8 5.00 469 370 A 138 VAL H A 138 VAL HG1% 1.0 1.8 5.00 470 371 A 138 VAL H A 139 GLY H 1.0 1.8 5.00 471 372 A 138 VAL HG2% A 138 VAL HA 1.0 1.8 3.30 472 373 A 138 VAL HG1% A 138 VAL HA 1.0 1.8 3.30 473 374 A 138 VAL HA A 141 LYS H 1.0 1.8 3.30 474 375 A 138 VAL HA A 141 LYS HBy 1.0 1.8 3.30 475 376 A 138 VAL HA A 141 LYS HBx 1.0 1.8 3.30 476 377 A 138 VAL HA A 141 LYS HDy 1.0 1.8 3.45 477 377 A 138 VAL HA A 141 LYS HDx 1.0 1.8 3.45 478 378 A 139 GLY H A 138 VAL HB 1.0 1.8 3.30 479 379 A 138 VAL HG2% A 139 GLY H 1.0 1.8 5.00 480 380 A 138 VAL HG1% A 139 GLY H 1.0 1.8 5.00 481 381 A 139 GLY H A 140 ALA H 1.0 1.8 3.30 482 382 A 140 ALA H A 139 GLY HAx 1.0 1.8 2.78 483 382 A 140 ALA H A 139 GLY HAy 1.0 1.8 2.78 484 383 A 140 ALA HB% A 140 ALA H 1.0 1.8 2.50 485 384 A 141 LYS H A 140 ALA H 1.0 1.8 2.90 486 385 A 140 ALA HA A 143 LEU HBx 1.0 1.8 3.30 487 386 A 140 ALA HA A 143 LEU HBy 1.0 1.8 3.30 488 387 A 140 ALA HB% A 141 LYS H 1.0 1.8 3.30 489 388 A 141 LYS H A 141 LYS HBy 1.0 1.8 5.00 490 388 A 141 LYS H A 141 LYS HBx 1.0 1.8 5.00 491 389 A 141 LYS H A 141 LYS HDy 1.0 1.8 3.45 492 389 A 141 LYS H A 141 LYS HDx 1.0 1.8 3.45 493 390 A 141 LYS H A 142 ASP H 1.0 1.8 3.30 494 391 A 142 ASP H A 142 ASP HBx 1.0 1.8 2.85 495 391 A 142 ASP H A 142 ASP HBy 1.0 1.8 2.85 496 392 A 142 ASP H A 143 LEU H 1.0 1.8 5.00 497 393 A 143 LEU H A 142 ASP HBx 1.0 1.8 3.26 498 393 A 142 ASP HBy A 143 LEU H 1.0 1.8 3.26 499 394 A 143 LEU H A 143 LEU HBx 1.0 1.8 2.90 500 395 A 143 LEU H A 143 LEU HBy 1.0 1.8 2.90 501 396 A 143 LEU H A 144 GLY H 1.0 1.8 3.30 502 397 A 144 GLY H A 143 LEU HG 1.0 1.8 3.50 503 398 A 144 GLY H A 143 LEU HBx 1.0 1.8 3.26 504 398 A 144 GLY H A 143 LEU HBy 1.0 1.8 3.26 505 399 A 144 GLY H A 144 GLY HAy 1.0 1.8 2.90 506 400 A 144 GLY HAx A 144 GLY H 1.0 1.8 2.90 507 401 A 144 GLY H A 145 ALA H 1.0 1.8 3.30 508 402 A 147 LEU H A 144 GLY HAy 1.0 1.8 5.00 509 403 A 147 LEU H A 144 GLY HAx 1.0 1.8 5.00 510 404 A 147 LEU HD1% A 144 GLY HAy 1.0 1.8 5.00 511 405 A 147 LEU HD1% A 144 GLY HAx 1.0 1.8 5.00 512 406 A 145 ALA H A 144 GLY HAy 1.0 1.8 3.04 513 406 A 144 GLY HAx A 145 ALA H 1.0 1.8 3.04 514 407 A 144 GLY HAx A 147 LEU HBx 1.0 1.8 2.90 515 407 A 144 GLY HAy A 147 LEU HBx 1.0 1.8 2.90 516 407 A 147 LEU HBy A 144 GLY HAy 1.0 1.8 2.90 517 407 A 144 GLY HAx A 147 LEU HBy 1.0 1.8 2.90 518 408 A 145 ALA H A 145 ALA HB1 1.0 1.8 3.50 519 409 A 145 ALA H A 146 LYS H 1.0 1.8 3.50 520 410 A 147 LEU H A 145 ALA HA 1.0 1.8 5.00 521 411 A 148 ARG H A 145 ALA HA 1.0 1.8 3.30 522 412 A 145 ALA HA A 148 ARG HBx 1.0 1.8 5.00 523 412 A 145 ALA HA A 148 ARG HBy 1.0 1.8 5.00 524 413 A 146 LYS H A 146 LYS HA 1.0 1.8 2.90 525 414 A 146 LYS H A 146 LYS HDy 1.0 1.8 2.90 526 415 A 146 LYS H A 146 LYS HDx 1.0 1.8 2.90 527 416 A 147 LEU H A 146 LYS H 1.0 1.8 2.90 528 417 A 147 LEU H A 146 LYS HA 1.0 1.8 3.50 529 418 A 146 LYS HA A 149 ASP H 1.0 1.8 3.30 530 419 A 146 LYS HA A 149 ASP HBx 1.0 1.8 3.30 531 420 A 146 LYS HA A 149 ASP HBy 1.0 1.8 3.30 532 421 A 147 LEU H A 146 LYS HDy 1.0 1.8 4.88 533 421 A 147 LEU H A 146 LYS HDx 1.0 1.8 4.88 534 422 A 147 LEU HD1% A 147 LEU H 1.0 1.8 3.30 535 423 A 147 LEU HD2% A 147 LEU H 1.0 1.8 5.00 536 424 A 148 ARG H A 147 LEU H 1.0 1.8 2.90 537 425 A 147 LEU HD1% A 147 LEU HA 1.0 1.8 5.00 538 426 A 147 LEU HD2% A 147 LEU HA 1.0 1.8 2.90 539 427 A 147 LEU HA A 150 ALA HB% 1.0 1.8 5.00 540 428 A 148 ARG H A 148 ARG HBx 1.0 1.8 3.50 541 428 A 148 ARG H A 148 ARG HBy 1.0 1.8 3.50 542 429 A 148 ARG H A 148 ARG HGy 1.0 1.8 4.88 543 429 A 148 ARG H A 148 ARG HGx 1.0 1.8 4.88 544 430 A 148 ARG H A 149 ASP H 1.0 1.8 3.30 545 431 A 149 ASP H A 149 ASP HA 1.0 1.8 2.90 546 432 A 149 ASP H A 149 ASP HBx 1.0 1.8 3.50 547 433 A 149 ASP H A 149 ASP HBy 1.0 1.8 3.50 548 434 A 149 ASP H A 149 ASP HBx 1.0 1.8 2.77 549 434 A 149 ASP H A 149 ASP HBy 1.0 1.8 2.77 550 435 A 149 ASP H A 150 ALA H 1.0 1.8 3.30 551 436 A 149 ASP HA A 150 ALA H 1.0 1.8 3.30 552 437 A 149 ASP HA A 152 ASP H 1.0 1.8 3.30 553 438 A 150 ALA HB% A 150 ALA H 1.0 1.8 2.50 554 439 A 150 ALA H A 151 LEU H 1.0 1.8 5.00 555 440 A 151 LEU H A 150 ALA HA 1.0 1.8 3.30 556 441 A 150 ALA HB% A 151 LEU H 1.0 1.8 3.50 557 442 A 151 LEU H A 151 LEU HDx% 1.0 1.8 5.00 558 442 A 151 LEU H A 151 LEU HDy% 1.0 1.8 5.00 559 443 A 152 ASP H A 151 LEU HBy 1.0 1.8 2.87 560 443 A 152 ASP H A 151 LEU HBx 1.0 1.8 2.87 561 444 A 152 ASP H A 151 LEU HDx% 1.0 1.8 3.29 562 444 A 152 ASP H A 151 LEU HDy% 1.0 1.8 3.29 563 445 A 152 ASP H A 152 ASP HA 1.0 1.8 2.90 564 446 A 152 ASP H A 152 ASP HBy 1.0 1.8 2.85 565 446 A 152 ASP H A 152 ASP HBx 1.0 1.8 2.85 566 447 A 152 ASP HA A 152 ASP HBy 1.0 1.8 2.39 567 447 A 152 ASP HA A 152 ASP HBx 1.0 1.8 2.39 568 448 A 78 ILE HG2% A 78 ILE HG1y 1.0 1.8 3.19 569 448 A 78 ILE HG2% A 78 ILE HG1x 1.0 1.8 3.19 570 449 A 82 TYR HD% A 78 ILE HG1y 1.0 1.8 5.00 571 449 A 82 TYR HD% A 78 ILE HG1x 1.0 1.8 5.00 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin 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 83 SER H A 79 GLU O 1.0 1.5 2.3 2 2 A 79 GLU O A 83 SER N 1.0 2.4 3.3 3 3 A 84 ALA H A 80 THR O 1.0 1.5 2.3 4 4 A 80 THR O A 84 ALA N 1.0 2.4 3.3 5 5 A 127 ARG H A 123 PRO O 1.0 1.5 2.3 6 6 A 123 PRO O A 127 ARG N 1.0 2.4 3.3 7 7 A 129 VAL H A 125 ILE O 1.0 1.5 2.3 8 8 A 125 ILE O A 129 VAL N 1.0 2.4 3.3 9 9 A 130 SER H A 126 GLU O 1.0 1.5 2.3 10 10 A 126 GLU O A 130 SER N 1.0 2.4 3.3 11 11 A 131 THR H A 127 ARG O 1.0 1.5 2.3 12 12 A 127 ARG O A 131 THR N 1.0 2.4 3.3 13 13 A 132 LEU H A 128 ILE O 1.0 1.5 2.3 14 14 A 128 ILE O A 132 LEU N 1.0 2.4 3.3 15 15 A 133 GLU H A 129 VAL O 1.0 1.5 2.3 16 16 A 129 VAL O A 133 GLU N 1.0 2.4 3.3 17 17 A 141 LYS H A 137 GLU O 1.0 1.5 2.3 18 18 A 137 GLU O A 141 LYS N 1.0 2.4 3.3 19 19 A 144 GLY H A 140 ALA O 1.0 1.5 2.3 20 20 A 140 ALA O A 144 GLY N 1.0 2.4 3.3 21 21 A 145 ALA H A 141 LYS O 1.0 1.5 2.3 22 22 A 141 LYS O A 145 ALA N 1.0 2.4 3.3 23 23 A 146 LYS H A 142 ASP O 1.0 1.5 2.3 24 24 A 142 ASP O A 146 LYS N 1.0 2.4 3.3 25 25 A 147 LEU H A 143 LEU O 1.0 1.5 2.3 26 26 A 143 LEU O A 147 LEU N 1.0 2.4 3.3 27 27 A 148 ARG H A 144 GLY O 1.0 1.5 2.3 28 28 A 144 GLY O A 148 ARG N 1.0 2.4 3.3 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _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 56 GLY C A 57 LEU N A 57 LEU CA A 57 LEU C 1.0 -120.0 80.0 PHI 2 2 A 58 GLY C A 59 LYS N A 59 LYS CA A 59 LYS C 1.0 -120.0 80.0 PHI 3 3 A 59 LYS C A 60 ALA N A 60 ALA CA A 60 ALA C 1.0 -120.0 80.0 PHI 4 4 A 60 ALA C A 61 GLN N A 61 GLN CA A 61 GLN C 1.0 -200.0 -80.0 PHI 5 5 A 66 LYS C A 67 PHE N A 67 PHE CA A 67 PHE C 1.0 -120.0 80.0 PHI 6 6 A 68 PHE C A 69 SER N A 69 SER CA A 69 SER C 1.0 -120.0 80.0 PHI 7 7 A 71 ILE C A 72 ILE N A 72 ILE CA A 72 ILE C 1.0 -120.0 80.0 PHI 8 8 A 73 PHE C A 74 SER N A 74 SER CA A 74 SER C 1.0 -120.0 80.0 PHI 9 9 A 78 ILE C A 79 GLU N A 79 GLU CA A 79 GLU C 1.0 -120.0 80.0 PHI 10 10 A 80 THR C A 81 SER N A 81 SER CA A 81 SER C 1.0 -120.0 80.0 PHI 11 11 A 83 SER C A 84 ALA N A 84 ALA CA A 84 ALA C 1.0 -120.0 80.0 PHI 12 12 A 84 ALA C A 85 LYS N A 85 LYS CA A 85 LYS C 1.0 -120.0 80.0 PHI 13 13 A 87 ILE C A 88 HIS N A 88 HIS CA A 88 HIS C 1.0 -120.0 80.0 PHI 14 14 A 89 GLU C A 90 LYS N A 90 LYS CA A 90 LYS C 1.0 -120.0 80.0 PHI 15 15 A 90 LYS C A 91 ILE N A 91 ILE CA A 91 ILE C 1.0 -120.0 80.0 PHI 16 16 A 92 ILE C A 93 GLU N A 93 GLU CA A 93 GLU C 1.0 -120.0 80.0 PHI 17 17 A 93 GLU C A 94 ALA N A 94 ALA CA A 94 ALA C 1.0 -120.0 80.0 PHI 18 18 A 95 HIS C A 96 ASP N A 96 ASP CA A 96 ASP C 1.0 -120.0 80.0 PHI 19 19 A 118 LYS C A 119 THR N A 119 THR CA A 119 THR C 1.0 -200.0 -80.0 PHI 20 20 A 124 ASP C A 125 ILE N A 125 ILE CA A 125 ILE C 1.0 -120.0 80.0 PHI 21 21 A 125 ILE C A 126 GLU N A 126 GLU CA A 126 GLU C 1.0 -120.0 80.0 PHI 22 22 A 126 GLU C A 127 ARG N A 127 ARG CA A 127 ARG C 1.0 -120.0 80.0 PHI 23 23 A 127 ARG C A 128 ILE N A 128 ILE CA A 128 ILE C 1.0 -120.0 80.0 PHI 24 24 A 128 ILE C A 129 VAL N A 129 VAL CA A 129 VAL C 1.0 -120.0 80.0 PHI 25 25 A 129 VAL C A 130 SER N A 130 SER CA A 130 SER C 1.0 -120.0 80.0 PHI 26 26 A 130 SER C A 131 THR N A 131 THR CA A 131 THR C 1.0 -120.0 80.0 PHI 27 27 A 131 THR C A 132 LEU N A 132 LEU CA A 132 LEU C 1.0 -120.0 80.0 PHI 28 28 A 132 LEU C A 133 GLU N A 133 GLU CA A 133 GLU C 1.0 -120.0 80.0 PHI 29 29 A 133 GLU C A 134 ARG N A 134 ARG CA A 134 ARG C 1.0 -200.0 -80.0 PHI 30 30 A 134 ARG C A 135 HIS N A 135 HIS CA A 135 HIS C 1.0 -120.0 80.0 PHI 31 31 A 135 HIS C A 136 ASP N A 136 ASP CA A 136 ASP C 1.0 -120.0 80.0 PHI 32 32 A 137 GLU C A 138 VAL N A 138 VAL CA A 138 VAL C 1.0 -120.0 80.0 PHI 33 33 A 140 ALA C A 141 LYS N A 141 LYS CA A 141 LYS C 1.0 -120.0 80.0 PHI 34 34 A 141 LYS C A 142 ASP N A 142 ASP CA A 142 ASP C 1.0 -120.0 80.0 PHI 35 35 A 142 ASP C A 143 LEU N A 143 LEU CA A 143 LEU C 1.0 -120.0 80.0 PHI 36 36 A 144 GLY C A 145 ALA N A 145 ALA CA A 145 ALA C 1.0 -120.0 80.0 PHI 37 37 A 145 ALA C A 146 LYS N A 146 LYS CA A 146 LYS C 1.0 -120.0 80.0 PHI 38 38 A 146 LYS C A 147 LEU N A 147 LEU CA A 147 LEU C 1.0 -120.0 80.0 PHI 39 39 A 147 LEU C A 148 ARG N A 148 ARG CA A 148 ARG C 1.0 -120.0 80.0 PHI 40 40 A 148 ARG C A 149 ASP N A 149 ASP CA A 149 ASP C 1.0 -120.0 80.0 PHI 41 41 A 149 ASP C A 150 ALA N A 150 ALA CA A 150 ALA C 1.0 -120.0 80.0 PHI 42 42 A 150 ALA C A 151 LEU N A 151 LEU CA A 151 LEU C 1.0 -120.0 80.0 PHI 43 43 A 151 LEU C A 152 ASP N A 152 ASP CA A 152 ASP C 1.0 -120.0 80.0 PHI stop_ save_ save_CNS/XPLOR_dipolar_coupling_5 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_5 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 81 SER N A 81 SER H 1.0 . . . 2 2 A 82 TYR N A 82 TYR H 1.0 . . . 3 3 A 83 SER N A 83 SER H 1.0 . . . 4 4 A 84 ALA N A 84 ALA H 1.0 . . . 5 5 A 85 LYS N A 85 LYS H 1.0 . . . 6 6 A 86 GLY N A 86 GLY H 1.0 . . . 7 7 A 88 HIS N A 88 HIS H 1.0 . . . 8 8 A 90 LYS N A 90 LYS H 1.0 . . . 9 9 A 125 ILE N A 125 ILE H 1.0 . . . 10 10 A 126 GLU N A 126 GLU H 1.0 . . . 11 11 A 127 ARG N A 127 ARG H 1.0 . . . 12 12 A 128 ILE N A 128 ILE H 1.0 . . . 13 13 A 129 VAL N A 129 VAL H 1.0 . . . 14 14 A 130 SER N A 130 SER H 1.0 . . . 15 15 A 131 THR N A 131 THR H 1.0 . . . 16 16 A 133 GLU N A 133 GLU H 1.0 . . . 17 17 A 134 ARG N A 134 ARG H 1.0 . . . 18 18 A 135 HIS N A 135 HIS H 1.0 . . . 19 19 A 137 GLU N A 137 GLU H 1.0 . . . 20 20 A 139 GLY N A 139 GLY H 1.0 . . . 21 21 A 140 ALA N A 140 ALA H 1.0 . . . 22 22 A 142 ASP N A 142 ASP H 1.0 . . . 23 23 A 144 GLY N A 144 GLY H 1.0 . . . 24 24 A 145 ALA N A 145 ALA H 1.0 . . . 25 25 A 147 LEU N A 147 LEU H 1.0 . . . 26 26 A 148 ARG N A 148 ARG H 1.0 . . . 27 27 A 149 ASP N A 149 ASP H 1.0 . . . stop_ save_