data_nef_c18504_2lu1 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 1 THR start . . 2 A 2 SER middle . . 3 A 3 ASN middle . . 4 A 4 LYS middle . . 5 A 5 LYS middle . . 6 A 6 ILE middle . . 7 A 7 LEU middle . . 8 A 8 LEU middle . . 9 A 9 ASN middle . . 10 A 10 VAL middle . . 11 A 11 ASP middle . . 12 A 12 LYS middle . . 13 A 13 LEU middle . . 14 A 14 VAL middle . . 15 A 15 ASP middle . . 16 A 16 GLN middle . . 17 A 17 TYR middle . . 18 A 18 LEU middle . . 19 A 19 LEU middle . . 20 A 20 ASN middle . . 21 A 21 LEU middle . . 22 A 22 LYS middle . . 23 A 23 ASN middle . . 24 A 24 ASN middle . . 25 A 25 HIS middle . . 26 A 26 THR middle . . 27 A 27 SER middle . . 28 A 28 LYS middle . . 29 A 29 GLN middle . . 30 A 30 GLU middle . . 31 A 31 LEU middle . . 32 A 32 ILE middle . . 33 A 33 LEU middle . . 34 A 34 VAL middle . . 35 A 35 LEU middle . . 36 A 36 LYS middle . . 37 A 37 GLY middle . false 38 A 38 GLU middle . . 39 A 39 LEU middle . . 40 A 40 ASP middle . . 41 A 41 LEU middle . . 42 A 42 HIS middle . . 43 A 43 SER middle . . 44 A 44 LYS middle . . 45 A 45 ASN middle . . 46 A 46 MET middle . . 47 A 47 LYS middle . . 48 A 48 ASN middle . . 49 A 49 VAL middle . . 50 A 50 ILE middle . . 51 A 51 ASN middle . . 52 A 52 ASN middle . . 53 A 53 ALA middle . . 54 A 54 LYS middle . . 55 A 55 LYS middle . . 56 A 56 ASN middle . . 57 A 57 LEU middle . . 58 A 58 GLU middle . . 59 A 59 LYS middle . . 60 A 60 TYR middle . . 61 A 61 PHE middle . . 62 A 62 LYS middle . . 63 A 63 GLU middle . . 64 A 64 HIS middle . . 65 A 65 PHE middle . . 66 A 66 LYS middle . . 67 A 67 GLU middle . . 68 A 68 PHE middle . . 69 A 69 ASP middle . . 70 A 70 LYS middle . . 71 A 71 ILE middle . . 72 A 72 SER middle . . 73 A 73 TYR middle . . 74 A 74 ASP middle . . 75 A 75 ILE middle . . 76 A 76 SER middle . . 77 A 77 THR middle . . 78 A 78 PRO middle . false 79 A 79 ILE middle . . 80 A 80 ASN middle . . 81 A 81 PHE middle . . 82 A 82 LEU middle . . 83 A 83 CYS middle . . 84 A 84 ILE middle . . 85 A 85 PHE middle . . 86 A 86 ILE middle . . 87 A 87 PRO middle . false 88 A 88 THR middle . . 89 A 89 LEU middle . . 90 A 90 PHE middle . . 91 A 91 ASP middle . . 92 A 92 MET middle . . 93 A 93 ASN middle . . 94 A 94 ASN middle . . 95 A 95 MET middle . . 96 A 96 ASP middle . . 97 A 97 LEU middle . . 98 A 98 LEU middle . . 99 A 99 LYS middle . . 100 A 100 GLN middle . . 101 A 101 ALA middle . . 102 A 102 LEU middle . . 103 A 103 LEU middle . . 104 A 104 ILE middle . . 105 A 105 LEU middle . . 106 A 106 HIS middle . . 107 A 107 ASN middle . . 108 A 108 ASP middle . . 109 A 109 LEU middle . . 110 A 110 HIS middle . . 111 A 111 GLU middle . . 112 A 112 TYR middle . . 113 A 113 VAL middle . . 114 A 114 GLU middle . . 115 A 115 ASN middle . . 116 A 116 TRP middle . . 117 A 117 SER middle . . 118 A 118 PHE middle . . 119 A 119 SER middle . . 120 A 120 SER middle . . 121 A 121 THR middle . . 122 A 122 TYR middle . . 123 A 123 HIS middle . . 124 A 124 THR middle . . 125 A 125 TYR middle . . 126 A 126 GLU middle . . 127 A 127 ALA middle . . 128 A 128 ASP middle . . 129 A 129 TYR middle . . 130 A 130 ILE middle . . 131 A 131 LYS middle . . 132 A 132 GLU middle . . 133 A 133 GLN middle . . 134 A 134 ASP middle . . 135 A 135 SER middle . . 136 A 136 VAL middle . . 137 A 137 TYR middle . . 138 A 138 ASP middle . . 139 A 139 ARG middle . . 140 A 140 SER middle . . 141 A 141 PRO middle . false 142 A 142 LYS middle . . 143 A 143 LYS middle . . 144 A 144 LYS middle . . 145 A 145 TYR middle . . 146 A 146 ILE middle . . 147 A 147 LYS middle . . 148 A 148 ALA middle . . 149 A 149 SER 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 4 LYS C C 13 176.016 0.5 A 4 LYS CA C 13 56.809 0.5 A 4 LYS CB C 13 32.045 0.5 A 5 LYS H H 1 7.829 0.05 A 5 LYS HA H 1 4.253 0.05 A 5 LYS HBy H 1 2.195 0.05 A 5 LYS C C 13 177.862 0.5 A 5 LYS CA C 13 57.862 0.5 A 5 LYS CB C 13 31.6 0.5 A 5 LYS N N 15 126.4 0.5 A 6 ILE H H 1 9.012 0.05 A 6 ILE HA H 1 4.255 0.05 A 6 ILE HB H 1 2.63 0.05 A 6 ILE C C 13 178.826 0.5 A 6 ILE CA C 13 57.81 0.5 A 6 ILE CB C 13 39.896 0.5 A 6 ILE N N 15 119.896 0.5 A 7 LEU H H 1 8.104 0.05 A 7 LEU HA H 1 4.226 0.05 A 7 LEU HBy H 1 2.341 0.05 A 7 LEU HBx H 1 1.54 0.05 A 7 LEU HG H 1 1.786 0.05 A 7 LEU C C 13 179.872 0.5 A 7 LEU CA C 13 57.02 0.5 A 7 LEU CB C 13 41.632 0.5 A 7 LEU N N 15 117.909 0.5 A 8 LEU H H 1 6.781 0.05 A 8 LEU HA H 1 3.329 0.05 A 8 LEU HB2 H 1 1.448 0.05 A 8 LEU HB3 H 1 1.448 0.05 A 8 LEU CA C 13 56.945 0.5 A 8 LEU CB C 13 38.951 0.5 A 8 LEU N N 15 121.284 0.5 A 9 ASN HA H 1 4.266 0.05 A 9 ASN HB2 H 1 3.176 0.05 A 9 ASN HB3 H 1 3.176 0.05 A 9 ASN C C 13 179.215 0.5 A 9 ASN CA C 13 58.507 0.5 A 9 ASN CB C 13 42.115 0.5 A 10 VAL H H 1 8.014 0.05 A 10 VAL HA H 1 4.041 0.05 A 10 VAL C C 13 177.523 0.5 A 10 VAL CA C 13 67.407 0.5 A 10 VAL CB C 13 30.875 0.5 A 10 VAL N N 15 119.438 0.5 A 11 ASP H H 1 7.738 0.05 A 11 ASP C C 13 178.742 0.5 A 11 ASP CA C 13 58.228 0.5 A 11 ASP CB C 13 40.226 0.5 A 11 ASP N N 15 118.82 0.5 A 12 LYS H H 1 7.62 0.05 A 12 LYS HA H 1 4.133 0.05 A 12 LYS HB2 H 1 1.942 0.05 A 12 LYS HB3 H 1 1.942 0.05 A 12 LYS CA C 13 58.504 0.5 A 12 LYS CB C 13 31.871 0.5 A 12 LYS N N 15 118.846 0.5 A 14 VAL HA H 1 4.059 0.05 A 14 VAL HB H 1 1.843 0.05 A 14 VAL C C 13 175.786 0.5 A 14 VAL CA C 13 62.956 0.5 A 14 VAL CB C 13 31.928 0.5 A 15 ASP H H 1 8.817 0.05 A 15 ASP HA H 1 4.089 0.05 A 15 ASP C C 13 174.704 0.5 A 15 ASP CA C 13 54.261 0.5 A 15 ASP CB C 13 42.402 0.5 A 15 ASP N N 15 129.019 0.5 A 16 GLN H H 1 8.698 0.05 A 16 GLN HA H 1 4.266 0.05 A 16 GLN HB2 H 1 2.059 0.05 A 16 GLN HB3 H 1 2.059 0.05 A 16 GLN C C 13 176.596 0.5 A 16 GLN CA C 13 57.335 0.5 A 16 GLN CB C 13 28.684 0.5 A 16 GLN N N 15 116.557 0.5 A 17 TYR H H 1 7.336 0.05 A 17 TYR HA H 1 4.274 0.05 A 17 TYR HB2 H 1 1.728 0.05 A 17 TYR HB3 H 1 1.728 0.05 A 17 TYR CA C 13 54.415 0.5 A 17 TYR CB C 13 42.964 0.5 A 17 TYR N N 15 119.909 0.5 A 20 ASN HA H 1 4.025 0.05 A 20 ASN HBy H 1 2.861 0.05 A 20 ASN HBx H 1 2.558 0.05 A 20 ASN C C 13 177.974 0.5 A 20 ASN CA C 13 55.345 0.5 A 20 ASN CB C 13 38.017 0.5 A 21 LEU H H 1 7.664 0.05 A 21 LEU HA H 1 3.856 0.05 A 21 LEU HBy H 1 1.629 0.05 A 21 LEU HBx H 1 1.353 0.05 A 21 LEU HDx% H 1 0.82 0.05 A 21 LEU C C 13 178.296 0.5 A 21 LEU CA C 13 56.794 0.5 A 21 LEU CB C 13 42.665 0.5 A 21 LEU CD1 C 13 24.534 0.5 A 21 LEU CG C 13 30.33 0.5 A 21 LEU N N 15 120.035 0.5 A 22 LYS H H 1 7.521 0.05 A 22 LYS HA H 1 4.279 0.05 A 22 LYS HB2 H 1 1.897 0.05 A 22 LYS HB3 H 1 1.897 0.05 A 22 LYS C C 13 176.886 0.5 A 22 LYS CA C 13 57.979 0.5 A 22 LYS CB C 13 32.526 0.5 A 22 LYS CD C 13 29.979 0.5 A 22 LYS CE C 13 41.922 0.5 A 22 LYS CG C 13 25.003 0.5 A 22 LYS N N 15 116.504 0.5 A 23 ASN H H 1 7.622 0.05 A 23 ASN HA H 1 4.824 0.05 A 23 ASN HBy H 1 2.89 0.05 A 23 ASN HBx H 1 2.659 0.05 A 23 ASN C C 13 173.946 0.5 A 23 ASN CA C 13 53.633 0.5 A 23 ASN CB C 13 39.308 0.5 A 23 ASN N N 15 116.609 0.5 A 24 ASN H H 1 7.581 0.05 A 24 ASN HA H 1 4.373 0.05 A 24 ASN HB2 H 1 2.713 0.05 A 24 ASN HB3 H 1 2.713 0.05 A 24 ASN C C 13 179.456 0.5 A 24 ASN CA C 13 55.525 0.5 A 24 ASN CB C 13 40.811 0.5 A 24 ASN N N 15 123.849 0.5 A 25 HIS H H 1 8.401 0.05 A 25 HIS HA H 1 4.413 0.05 A 25 HIS C C 13 175.574 0.5 A 25 HIS CA C 13 57.687 0.5 A 25 HIS CB C 13 29.879 0.5 A 25 HIS N N 15 123.95 0.5 A 26 THR H H 1 7.497 0.05 A 26 THR HA H 1 4.814 0.05 A 26 THR HG2% H 1 1.874 0.05 A 26 THR CA C 13 60.446 0.5 A 26 THR CB C 13 71.335 0.5 A 26 THR N N 15 114.968 0.5 A 27 SER HA H 1 4.339 0.05 A 27 SER HB2 H 1 4.01 0.05 A 27 SER HB3 H 1 4.01 0.05 A 27 SER C C 13 175.743 0.5 A 27 SER CA C 13 60.497 0.5 A 27 SER CB C 13 63.659 0.5 A 28 LYS H H 1 7.785 0.05 A 28 LYS HA H 1 5.218 0.05 A 28 LYS HB2 H 1 1.787 0.05 A 28 LYS HB3 H 1 1.787 0.05 A 28 LYS C C 13 175.699 0.5 A 28 LYS CA C 13 55.545 0.5 A 28 LYS CB C 13 35.913 0.5 A 28 LYS CE C 13 42.566 0.5 A 28 LYS CG C 13 24.593 0.5 A 28 LYS N N 15 118.099 0.5 A 29 GLN H H 1 9.283 0.05 A 29 GLN HA H 1 4.738 0.05 A 29 GLN HBy H 1 2.499 0.05 A 29 GLN HBx H 1 1.753 0.05 A 29 GLN C C 13 174.277 0.5 A 29 GLN CA C 13 55.525 0.5 A 29 GLN CB C 13 32.87 0.5 A 29 GLN N N 15 122.481 0.5 A 30 GLU H H 1 9.188 0.05 A 30 GLU HA H 1 4.276 0.05 A 30 GLU HB2 H 1 1.879 0.05 A 30 GLU HB3 H 1 1.879 0.05 A 30 GLU C C 13 173.313 0.5 A 30 GLU CA C 13 55.954 0.5 A 30 GLU CB C 13 31.054 0.5 A 30 GLU CG C 13 36.009 0.5 A 30 GLU N N 15 122.881 0.5 A 31 LEU H H 1 9.016 0.05 A 31 LEU HA H 1 4.293 0.05 A 31 LEU HB2 H 1 1.849 0.05 A 31 LEU HB3 H 1 1.849 0.05 A 31 LEU HDx% H 1 0.904 0.05 A 31 LEU C C 13 171.909 0.5 A 31 LEU CA C 13 53.281 0.5 A 31 LEU CB C 13 42.45 0.5 A 31 LEU N N 15 130.328 0.5 A 32 ILE H H 1 8.738 0.05 A 32 ILE HA H 1 5.528 0.05 A 32 ILE HD1% H 1 0.655 0.05 A 32 ILE C C 13 175.735 0.5 A 32 ILE CA C 13 59.224 0.5 A 32 ILE CB C 13 36.625 0.5 A 32 ILE N N 15 120.632 0.5 A 33 LEU HA H 1 3.997 0.05 A 33 LEU HBy H 1 1.913 0.05 A 33 LEU HBx H 1 1.485 0.05 A 33 LEU C C 13 180.03 0.5 A 33 LEU CA C 13 58.333 0.5 A 33 LEU CB C 13 41.433 0.5 A 33 LEU CD1 C 13 23.363 0.5 A 33 LEU CG C 13 25.12 0.5 A 34 VAL H H 1 7.751 0.05 A 34 VAL HA H 1 3.617 0.05 A 34 VAL HB H 1 1.941 0.05 A 34 VAL HGx% H 1 0.945 0.05 A 34 VAL C C 13 178.222 0.5 A 34 VAL CA C 13 66.122 0.5 A 34 VAL CB C 13 37.942 0.5 A 34 VAL CG1 C 13 24.827 0.5 A 34 VAL N N 15 124.025 0.5 A 35 LEU H H 1 7.532 0.05 A 35 LEU HA H 1 4.276 0.05 A 35 LEU HBy H 1 1.813 0.05 A 35 LEU HBx H 1 1.567 0.05 A 35 LEU HDx% H 1 0.54 0.05 A 35 LEU HG H 1 0.972 0.05 A 35 LEU C C 13 175.855 0.5 A 35 LEU CA C 13 57.375 0.5 A 35 LEU CB C 13 43.089 0.5 A 35 LEU CG C 13 24.651 0.5 A 35 LEU N N 15 120.009 0.5 A 36 LYS H H 1 7.501 0.05 A 36 LYS C C 13 178.903 0.5 A 36 LYS CA C 13 58.347 0.5 A 36 LYS CB C 13 32.903 0.5 A 36 LYS N N 15 115.805 0.5 A 37 GLY H H 1 8.811 0.05 A 37 GLY HA2 H 1 3.935 0.05 A 37 GLY HA3 H 1 3.935 0.05 A 37 GLY C C 13 174.865 0.5 A 37 GLY CA C 13 47.466 0.5 A 37 GLY N N 15 110.626 0.5 A 38 GLU H H 1 8.763 0.05 A 38 GLU HA H 1 4.302 0.05 A 38 GLU HB2 H 1 2.094 0.05 A 38 GLU HB3 H 1 2.094 0.05 A 38 GLU C C 13 176.681 0.5 A 38 GLU CA C 13 57.184 0.5 A 38 GLU CB C 13 28.829 0.5 A 38 GLU CG C 13 36.009 0.5 A 38 GLU N N 15 116.098 0.5 A 39 LEU H H 1 7.167 0.05 A 39 LEU HA H 1 4.266 0.05 A 39 LEU HB2 H 1 1.749 0.05 A 39 LEU HB3 H 1 1.749 0.05 A 39 LEU C C 13 176.016 0.5 A 39 LEU CA C 13 54.725 0.5 A 39 LEU CB C 13 43.602 0.5 A 39 LEU CD1 C 13 21.9 0.5 A 39 LEU CG C 13 27.637 0.5 A 39 LEU N N 15 119.439 0.5 A 40 ASP H H 1 8.596 0.05 A 40 ASP HA H 1 4.728 0.05 A 40 ASP C C 13 178.198 0.5 A 40 ASP CA C 13 52.19 0.5 A 40 ASP CB C 13 40.557 0.5 A 40 ASP N N 15 120.105 0.5 A 41 LEU H H 1 9.029 0.05 A 41 LEU HA H 1 3.753 0.05 A 41 LEU HB2 H 1 1.307 0.05 A 41 LEU HB3 H 1 1.307 0.05 A 41 LEU HDx% H 1 0.604 0.05 A 41 LEU C C 13 175.113 0.5 A 41 LEU CA C 13 56.667 0.5 A 41 LEU CB C 13 39.849 0.5 A 41 LEU CD1 C 13 23.656 0.5 A 41 LEU CG C 13 25.529 0.5 A 41 LEU N N 15 125.023 0.5 A 42 HIS H H 1 8.065 0.05 A 42 HIS HA H 1 4.524 0.05 A 42 HIS HB2 H 1 3.197 0.05 A 42 HIS HB3 H 1 3.197 0.05 A 42 HIS C C 13 175.855 0.5 A 42 HIS CA C 13 55.916 0.5 A 42 HIS CB C 13 30.137 0.5 A 42 HIS N N 15 113.184 0.5 A 43 SER H H 1 7.511 0.05 A 43 SER HA H 1 4.524 0.05 A 43 SER C C 13 174.426 0.5 A 43 SER CA C 13 58.206 0.5 A 43 SER CB C 13 65.517 0.5 A 43 SER N N 15 116.013 0.5 A 44 LYS H H 1 8.846 0.05 A 44 LYS C C 13 177.791 0.5 A 44 LYS CA C 13 59.456 0.5 A 44 LYS CB C 13 30.172 0.5 A 44 LYS N N 15 123.332 0.5 A 45 ASN H H 1 8.545 0.05 A 45 ASN HA H 1 4.47 0.05 A 45 ASN HB2 H 1 2.788 0.05 A 45 ASN HB3 H 1 2.788 0.05 A 45 ASN C C 13 177.817 0.5 A 45 ASN CA C 13 56.928 0.5 A 45 ASN CB C 13 38.404 0.5 A 45 ASN N N 15 118.501 0.5 A 46 MET H H 1 7.379 0.05 A 46 MET HA H 1 4.471 0.05 A 46 MET HBy H 1 2.19 0.05 A 46 MET HBx H 1 1.619 0.05 A 46 MET C C 13 178.964 0.5 A 46 MET CA C 13 55.467 0.5 A 46 MET CB C 13 29.707 0.5 A 46 MET CG C 13 31.911 0.5 A 46 MET N N 15 116.171 0.5 A 47 LYS H H 1 8.45 0.05 A 47 LYS HA H 1 3.884 0.05 A 47 LYS HB2 H 1 1.821 0.05 A 47 LYS HB3 H 1 1.821 0.05 A 47 LYS HE2 H 1 2.952 0.05 A 47 LYS HE3 H 1 2.952 0.05 A 47 LYS HG2 H 1 1.495 0.05 A 47 LYS HG3 H 1 1.495 0.05 A 47 LYS C C 13 179.31 0.5 A 47 LYS CA C 13 60.339 0.5 A 47 LYS CB C 13 31.75 0.5 A 47 LYS CE C 13 41.57 0.5 A 47 LYS CG C 13 25.588 0.5 A 47 LYS N N 15 121.054 0.5 A 48 ASN H H 1 7.896 0.05 A 48 ASN HA H 1 3.881 0.05 A 48 ASN HB2 H 1 2.952 0.05 A 48 ASN HB3 H 1 2.952 0.05 A 48 ASN C C 13 177.733 0.5 A 48 ASN CA C 13 56.54 0.5 A 48 ASN CB C 13 38.333 0.5 A 48 ASN N N 15 117.137 0.5 A 49 VAL H H 1 7.869 0.05 A 49 VAL HA H 1 3.679 0.05 A 49 VAL HB H 1 2.017 0.05 A 49 VAL HGx% H 1 0.916 0.05 A 49 VAL HGy% H 1 0.651 0.05 A 49 VAL C C 13 176.675 0.5 A 49 VAL CA C 13 66.434 0.5 A 49 VAL CB C 13 32.069 0.5 A 49 VAL CG1 C 13 21.616 0.5 A 49 VAL N N 15 121.225 0.5 A 50 ILE H H 1 8.093 0.05 A 50 ILE HA H 1 4.25 0.05 A 50 ILE HB H 1 2.666 0.05 A 50 ILE HG12 H 1 0.899 0.05 A 50 ILE HG13 H 1 0.899 0.05 A 50 ILE C C 13 179.831 0.5 A 50 ILE CA C 13 57.94 0.5 A 50 ILE CB C 13 40.112 0.5 A 50 ILE N N 15 120.523 0.5 A 51 ASN H H 1 7.953 0.05 A 51 ASN HA H 1 4.019 0.05 A 51 ASN C C 13 178.496 0.5 A 51 ASN CA C 13 56.612 0.5 A 51 ASN CB C 13 38.355 0.5 A 51 ASN N N 15 117.28 0.5 A 52 ASN H H 1 8.347 0.05 A 52 ASN HA H 1 4.415 0.05 A 52 ASN HB2 H 1 2.863 0.05 A 52 ASN HB3 H 1 2.863 0.05 A 52 ASN C C 13 176.434 0.5 A 52 ASN CA C 13 56.77 0.5 A 52 ASN CB C 13 38.353 0.5 A 52 ASN N N 15 118.893 0.5 A 53 ALA H H 1 7.706 0.05 A 53 ALA HA H 1 4.514 0.05 A 53 ALA HB% H 1 1.48 0.05 A 53 ALA C C 13 180.689 0.5 A 53 ALA CA C 13 54.901 0.5 A 53 ALA CB C 13 17.901 0.5 A 53 ALA N N 15 122.291 0.5 A 54 LYS H H 1 8.375 0.05 A 54 LYS HA H 1 3.837 0.05 A 54 LYS HB2 H 1 2.047 0.05 A 54 LYS HB3 H 1 2.047 0.05 A 54 LYS C C 13 178.066 0.5 A 54 LYS CA C 13 60.306 0.5 A 54 LYS CB C 13 32.088 0.5 A 54 LYS CG C 13 25.237 0.5 A 54 LYS N N 15 119.091 0.5 A 55 LYS H H 1 8.259 0.05 A 55 LYS HA H 1 3.873 0.05 A 55 LYS HB2 H 1 2.023 0.05 A 55 LYS HB3 H 1 2.023 0.05 A 55 LYS C C 13 179.819 0.5 A 55 LYS CA C 13 60.286 0.5 A 55 LYS CB C 13 31.99 0.5 A 55 LYS N N 15 119.37 0.5 A 56 ASN H H 1 8.235 0.05 A 56 ASN HA H 1 4.409 0.05 A 56 ASN HBy H 1 3.057 0.05 A 56 ASN HBx H 1 2.665 0.05 A 56 ASN C C 13 178.899 0.5 A 56 ASN CA C 13 55.74 0.5 A 56 ASN CB C 13 37.103 0.5 A 56 ASN N N 15 119.303 0.5 A 57 LEU H H 1 8.21 0.05 A 57 LEU HA H 1 4.682 0.05 A 57 LEU HBy H 1 1.979 0.05 A 57 LEU HBx H 1 1.771 0.05 A 57 LEU HDx% H 1 0.975 0.05 A 57 LEU C C 13 178.541 0.5 A 57 LEU CA C 13 58.199 0.5 A 57 LEU CB C 13 42.626 0.5 A 57 LEU CD1 C 13 24.683 0.5 A 57 LEU CG C 13 25.295 0.5 A 57 LEU N N 15 123.252 0.5 A 58 GLU H H 1 8.846 0.05 A 58 GLU HA H 1 4.003 0.05 A 58 GLU HB2 H 1 1.713 0.05 A 58 GLU HB3 H 1 1.713 0.05 A 58 GLU HG2 H 1 2.479 0.05 A 58 GLU HG3 H 1 2.479 0.05 A 58 GLU C C 13 177.333 0.5 A 58 GLU CA C 13 61.145 0.5 A 58 GLU CB C 13 30.312 0.5 A 58 GLU CG C 13 38.521 0.5 A 58 GLU N N 15 118.795 0.5 A 59 LYS H H 1 8.373 0.05 A 59 LYS HA H 1 4.475 0.05 A 59 LYS C C 13 178.428 0.5 A 59 LYS CA C 13 60.145 0.5 A 59 LYS CB C 13 32.688 0.5 A 59 LYS CD C 13 29.803 0.5 A 59 LYS CE C 13 40.282 0.5 A 59 LYS CG C 13 24.768 0.5 A 59 LYS N N 15 118.325 0.5 A 60 TYR H H 1 7.532 0.05 A 60 TYR HA H 1 4.327 0.05 A 60 TYR HBy H 1 2.539 0.05 A 60 TYR HBx H 1 1.862 0.05 A 60 TYR HD1 H 1 7.17 0.05 A 60 TYR HD2 H 1 7.17 0.05 A 60 TYR C C 13 178.899 0.5 A 60 TYR CA C 13 62.394 0.5 A 60 TYR CB C 13 38.294 0.5 A 60 TYR N N 15 119.345 0.5 A 61 PHE H H 1 8.607 0.05 A 61 PHE HA H 1 4.328 0.05 A 61 PHE HBy H 1 2.555 0.05 A 61 PHE HBx H 1 1.872 0.05 A 61 PHE HD1 H 1 7.177 0.05 A 61 PHE HD2 H 1 7.177 0.05 A 61 PHE C C 13 178.45 0.5 A 61 PHE CA C 13 62.394 0.5 A 61 PHE CB C 13 37.923 0.5 A 61 PHE N N 15 118.931 0.5 A 62 LYS H H 1 8.615 0.05 A 62 LYS HA H 1 4.302 0.05 A 62 LYS HB2 H 1 2.057 0.05 A 62 LYS HB3 H 1 2.057 0.05 A 62 LYS C C 13 178.333 0.5 A 62 LYS CA C 13 59.311 0.5 A 62 LYS CB C 13 32.849 0.5 A 62 LYS CG C 13 26.291 0.5 A 62 LYS N N 15 118.337 0.5 A 63 GLU H H 1 7.547 0.05 A 63 GLU HA H 1 3.926 0.05 A 63 GLU HBy H 1 1.9 0.05 A 63 GLU HBx H 1 1.599 0.05 A 63 GLU C C 13 177.317 0.5 A 63 GLU CA C 13 58.316 0.5 A 63 GLU CB C 13 29.356 0.5 A 63 GLU CG C 13 36.36 0.5 A 63 GLU N N 15 116.36 0.5 A 64 HIS H H 1 7.013 0.05 A 64 HIS HA H 1 4.421 0.05 A 64 HIS HB2 H 1 2.87 0.05 A 64 HIS HB3 H 1 2.87 0.05 A 64 HIS C C 13 173.911 0.5 A 64 HIS CA C 13 58.082 0.5 A 64 HIS CB C 13 31.835 0.5 A 64 HIS N N 15 113.58 0.5 A 65 PHE H H 1 8.34 0.05 A 65 PHE HA H 1 4.936 0.05 A 65 PHE HBy H 1 3.19 0.05 A 65 PHE HBx H 1 2.942 0.05 A 65 PHE HD1 H 1 7.308 0.05 A 65 PHE HD2 H 1 7.308 0.05 A 65 PHE C C 13 175.232 0.5 A 65 PHE CA C 13 57.223 0.5 A 65 PHE CB C 13 40.362 0.5 A 65 PHE N N 15 119.434 0.5 A 66 LYS H H 1 8.59 0.05 A 66 LYS HA H 1 4.288 0.05 A 66 LYS HB2 H 1 1.924 0.05 A 66 LYS HB3 H 1 1.924 0.05 A 66 LYS C C 13 177.685 0.5 A 66 LYS CA C 13 58.798 0.5 A 66 LYS CB C 13 32.473 0.5 A 66 LYS CD C 13 29.159 0.5 A 66 LYS CE C 13 42.273 0.5 A 66 LYS CG C 13 24.944 0.5 A 66 LYS N N 15 123.217 0.5 A 67 GLU H H 1 8.969 0.05 A 67 GLU HA H 1 4.361 0.05 A 67 GLU HB2 H 1 2.081 0.05 A 67 GLU HB3 H 1 2.081 0.05 A 67 GLU C C 13 175.77 0.5 A 67 GLU CA C 13 56.364 0.5 A 67 GLU CB C 13 29.103 0.5 A 67 GLU CG C 13 36.536 0.5 A 67 GLU N N 15 117.085 0.5 A 68 PHE H H 1 7.752 0.05 A 68 PHE HA H 1 4.272 0.05 A 68 PHE HB2 H 1 3.104 0.05 A 68 PHE HB3 H 1 3.104 0.05 A 68 PHE HD1 H 1 7.135 0.05 A 68 PHE HD2 H 1 7.135 0.05 A 68 PHE C C 13 173.621 0.5 A 68 PHE CA C 13 59.096 0.5 A 68 PHE CB C 13 40.772 0.5 A 68 PHE N N 15 121.127 0.5 A 69 ASP H H 1 7.767 0.05 A 69 ASP HA H 1 4.603 0.05 A 69 ASP HB2 H 1 2.549 0.05 A 69 ASP HB3 H 1 2.549 0.05 A 69 ASP C C 13 173.387 0.5 A 69 ASP CA C 13 54.881 0.5 A 69 ASP CB C 13 41.806 0.5 A 69 ASP N N 15 125.72 0.5 A 70 LYS H H 1 7.305 0.05 A 70 LYS HA H 1 4.449 0.05 A 70 LYS HB2 H 1 1.747 0.05 A 70 LYS HB3 H 1 1.747 0.05 A 70 LYS C C 13 175.841 0.5 A 70 LYS CA C 13 55.486 0.5 A 70 LYS CB C 13 34.781 0.5 A 70 LYS CD C 13 29.335 0.5 A 70 LYS CE C 13 42.214 0.5 A 70 LYS CG C 13 23.598 0.5 A 70 LYS N N 15 115.004 0.5 A 71 ILE H H 1 9.522 0.05 A 71 ILE HA H 1 4.709 0.05 A 71 ILE HB H 1 2.121 0.05 A 71 ILE HG12 H 1 1.046 0.05 A 71 ILE HG13 H 1 1.046 0.05 A 71 ILE C C 13 175.12 0.5 A 71 ILE CA C 13 59.252 0.5 A 71 ILE CB C 13 39.302 0.5 A 71 ILE CG1 C 13 28.34 0.5 A 71 ILE CG2 C 13 18.27 0.5 A 71 ILE N N 15 122.809 0.5 A 72 SER H H 1 8.76 0.05 A 72 SER HA H 1 4.92 0.05 A 72 SER HB2 H 1 3.882 0.05 A 72 SER HB3 H 1 3.882 0.05 A 72 SER C C 13 172.157 0.5 A 72 SER CA C 13 57.73 0.5 A 72 SER CB C 13 65.634 0.5 A 72 SER N N 15 121.741 0.5 A 73 TYR H H 1 8.275 0.05 A 73 TYR HA H 1 5.721 0.05 A 73 TYR HBy H 1 3.017 0.05 A 73 TYR HBx H 1 2.762 0.05 A 73 TYR HD1 H 1 6.746 0.05 A 73 TYR HD2 H 1 6.746 0.05 A 73 TYR C C 13 173.231 0.5 A 73 TYR CA C 13 56.23 0.5 A 73 TYR CB C 13 42.383 0.5 A 73 TYR CD1 C 13 132.539 0.5 A 73 TYR CD2 C 13 132.539 0.5 A 73 TYR N N 15 118.245 0.5 A 74 ASP H H 1 9.332 0.05 A 74 ASP HA H 1 5.055 0.05 A 74 ASP HB2 H 1 2.664 0.05 A 74 ASP HB3 H 1 2.664 0.05 A 74 ASP C C 13 174.827 0.5 A 74 ASP CA C 13 53.601 0.5 A 74 ASP CB C 13 45.64 0.5 A 74 ASP N N 15 120.379 0.5 A 75 ILE H H 1 7.501 0.05 A 75 ILE HA H 1 4.584 0.05 A 75 ILE C C 13 177.411 0.5 A 75 ILE CA C 13 59.209 0.5 A 75 ILE CB C 13 40.768 0.5 A 76 SER H H 1 9.05 0.05 A 76 SER HA H 1 5.45 0.05 A 76 SER HB2 H 1 3.889 0.05 A 76 SER HB3 H 1 3.889 0.05 A 76 SER C C 13 173.767 0.5 A 76 SER CA C 13 57.758 0.5 A 76 SER CB C 13 64.462 0.5 A 76 SER N N 15 117.836 0.5 A 77 THR H H 1 8.601 0.05 A 77 THR HA H 1 4.959 0.05 A 77 THR HB H 1 4.618 0.05 A 77 THR HG2% H 1 1.087 0.05 A 77 THR C C 13 172.636 0.5 A 77 THR CA C 13 58.87 0.5 A 77 THR CB C 13 69.935 0.5 A 77 THR N N 15 117.435 0.5 A 78 PRO HB2 H 1 1.716 0.05 A 78 PRO HB3 H 1 1.716 0.05 A 78 PRO C C 13 179.328 0.5 A 78 PRO CA C 13 63.483 0.5 A 78 PRO CB C 13 32.162 0.5 A 79 ILE H H 1 8.227 0.05 A 79 ILE HA H 1 4.621 0.05 A 79 ILE HD1% H 1 1.287 0.05 A 79 ILE HG12 H 1 2.349 0.05 A 79 ILE HG13 H 1 2.349 0.05 A 79 ILE C C 13 177.212 0.5 A 79 ILE CA C 13 65.921 0.5 A 79 ILE CB C 13 37.468 0.5 A 79 ILE CD1 C 13 16.748 0.5 A 79 ILE CG1 C 13 29.569 0.5 A 79 ILE N N 15 120.707 0.5 A 80 ASN H H 1 8.466 0.05 A 80 ASN HA H 1 4.43 0.05 A 80 ASN HB2 H 1 2.89 0.05 A 80 ASN HB3 H 1 2.89 0.05 A 80 ASN C C 13 178.172 0.5 A 80 ASN CA C 13 56.763 0.5 A 80 ASN CB C 13 38.087 0.5 A 80 ASN N N 15 118.168 0.5 A 81 PHE H H 1 9.152 0.05 A 81 PHE C C 13 174.016 0.5 A 81 PHE CA C 13 54.819 0.5 A 81 PHE CB C 13 39.773 0.5 A 81 PHE N N 15 129.059 0.5 A 82 LEU H H 1 9.147 0.05 A 82 LEU HA H 1 4.993 0.05 A 82 LEU HB2 H 1 1.79 0.05 A 82 LEU HB3 H 1 1.79 0.05 A 82 LEU HDx% H 1 0.685 0.05 A 82 LEU HG H 1 1.195 0.05 A 82 LEU C C 13 173.695 0.5 A 82 LEU CA C 13 53.75 0.5 A 82 LEU CB C 13 44.936 0.5 A 82 LEU CD1 C 13 24.241 0.5 A 82 LEU CG C 13 26.291 0.5 A 82 LEU N N 15 124.64 0.5 A 83 CYS H H 1 9.065 0.05 A 83 CYS HA H 1 5.238 0.05 A 83 CYS HB2 H 1 2.693 0.05 A 83 CYS HB3 H 1 2.693 0.05 A 83 CYS C C 13 173.733 0.5 A 83 CYS CA C 13 56.361 0.5 A 83 CYS CB C 13 28.374 0.5 A 83 CYS N N 15 126.066 0.5 A 84 ILE H H 1 9.426 0.05 A 84 ILE HA H 1 4.359 0.05 A 84 ILE HB H 1 1.736 0.05 A 84 ILE HD1% H 1 0.864 0.05 A 84 ILE HG12 H 1 0.99 0.05 A 84 ILE HG13 H 1 0.99 0.05 A 84 ILE C C 13 174.745 0.5 A 84 ILE CA C 13 60.519 0.5 A 84 ILE CB C 13 40.358 0.5 A 84 ILE CD1 C 13 17.568 0.5 A 84 ILE CG1 C 13 27.696 0.5 A 84 ILE N N 15 126.11 0.5 A 85 PHE H H 1 8.337 0.05 A 85 PHE HA H 1 5.019 0.05 A 85 PHE HD1 H 1 6.999 0.05 A 85 PHE HD2 H 1 6.999 0.05 A 85 PHE C C 13 175.358 0.5 A 85 PHE CA C 13 57.731 0.5 A 85 PHE CB C 13 38.742 0.5 A 85 PHE N N 15 126.315 0.5 A 86 ILE H H 1 9.161 0.05 A 86 ILE HA H 1 4.903 0.05 A 86 ILE HB H 1 1.78 0.05 A 86 ILE HG12 H 1 1.328 0.05 A 86 ILE HG13 H 1 1.328 0.05 A 86 ILE HG2% H 1 0.774 0.05 A 86 ILE C C 13 173.967 0.5 A 86 ILE CA C 13 55.386 0.5 A 86 ILE CB C 13 38.811 0.5 A 86 ILE N N 15 126.561 0.5 A 87 PRO HA H 1 5.022 0.05 A 87 PRO HBy H 1 2.474 0.05 A 87 PRO HBx H 1 1.955 0.05 A 87 PRO C C 13 177.938 0.5 A 87 PRO CA C 13 62.508 0.5 A 87 PRO CB C 13 32.534 0.5 A 87 PRO CG C 13 27.637 0.5 A 88 THR H H 1 8.003 0.05 A 88 THR HA H 1 4.486 0.05 A 88 THR HG2% H 1 1.181 0.05 A 88 THR C C 13 176.082 0.5 A 88 THR CA C 13 60.306 0.5 A 88 THR CB C 13 66.727 0.5 A 88 THR N N 15 113.282 0.5 A 89 LEU H H 1 7.822 0.05 A 89 LEU HA H 1 4.009 0.05 A 89 LEU HDx% H 1 0.577 0.05 A 89 LEU HG H 1 1.784 0.05 A 89 LEU C C 13 175.776 0.5 A 89 LEU CA C 13 53.969 0.5 A 89 LEU CB C 13 41.996 0.5 A 89 LEU CD1 C 13 21.569 0.5 A 89 LEU CG C 13 24.124 0.5 A 89 LEU N N 15 122.317 0.5 A 90 PHE H H 1 7.11 0.05 A 90 PHE HA H 1 5.56 0.05 A 90 PHE HBy H 1 2.987 0.05 A 90 PHE HBx H 1 2.5 0.05 A 90 PHE HD1 H 1 7.108 0.05 A 90 PHE HD2 H 1 7.108 0.05 A 90 PHE C C 13 175.869 0.5 A 90 PHE CA C 13 55.096 0.5 A 90 PHE CB C 13 40.107 0.5 A 90 PHE N N 15 114.801 0.5 A 91 ASP H H 1 9.852 0.05 A 91 ASP HA H 1 4.557 0.05 A 91 ASP HBy H 1 3.14 0.05 A 91 ASP HBx H 1 2.839 0.05 A 91 ASP C C 13 175.684 0.5 A 91 ASP CA C 13 52.969 0.5 A 91 ASP CB C 13 42.216 0.5 A 91 ASP N N 15 127.244 0.5 A 92 MET H H 1 8.574 0.05 A 92 MET HA H 1 4.278 0.05 A 92 MET HBy H 1 2.68 0.05 A 92 MET HBx H 1 2.111 0.05 A 92 MET C C 13 177.571 0.5 A 92 MET CA C 13 58.815 0.5 A 92 MET CB C 13 32.01 0.5 A 92 MET N N 15 113.73 0.5 A 93 ASN H H 1 8.576 0.05 A 93 ASN HA H 1 4.749 0.05 A 93 ASN HB2 H 1 2.971 0.05 A 93 ASN HB3 H 1 2.971 0.05 A 93 ASN C C 13 176.3 0.5 A 93 ASN CA C 13 55.193 0.5 A 93 ASN CB C 13 39.426 0.5 A 93 ASN N N 15 115.175 0.5 A 94 ASN H H 1 8.049 0.05 A 94 ASN HA H 1 5.191 0.05 A 94 ASN C C 13 177.23 0.5 A 94 ASN CA C 13 52.631 0.5 A 94 ASN CB C 13 38.093 0.5 A 94 ASN N N 15 119.005 0.5 A 95 MET H H 1 7.489 0.05 A 95 MET HA H 1 4.048 0.05 A 95 MET HB2 H 1 1.911 0.05 A 95 MET HB3 H 1 1.911 0.05 A 95 MET HG2 H 1 2.75 0.05 A 95 MET HG3 H 1 2.75 0.05 A 95 MET C C 13 178.005 0.5 A 95 MET CA C 13 58.275 0.5 A 95 MET CB C 13 32.327 0.5 A 95 MET N N 15 117.771 0.5 A 96 ASP H H 1 7.777 0.05 A 96 ASP HA H 1 4.603 0.05 A 96 ASP HB2 H 1 2.563 0.05 A 96 ASP HB3 H 1 2.563 0.05 A 96 ASP C C 13 175.593 0.5 A 96 ASP CA C 13 54.94 0.5 A 96 ASP CB C 13 39.445 0.5 A 96 ASP N N 15 115.629 0.5 A 97 LEU H H 1 8.027 0.05 A 97 LEU HA H 1 4.617 0.05 A 97 LEU HB2 H 1 2.7 0.05 A 97 LEU HB3 H 1 2.7 0.05 A 97 LEU C C 13 174.835 0.5 A 97 LEU CA C 13 54.433 0.5 A 97 LEU CB C 13 39.082 0.5 A 97 LEU N N 15 116.343 0.5 A 98 LEU H H 1 7.798 0.05 A 98 LEU HA H 1 3.364 0.05 A 98 LEU HB2 H 1 1.41 0.05 A 98 LEU HB3 H 1 1.41 0.05 A 98 LEU HDx% H 1 0.312 0.05 A 98 LEU C C 13 177.586 0.5 A 98 LEU CA C 13 57.219 0.5 A 98 LEU CB C 13 39.1 0.5 A 98 LEU CG C 13 25.003 0.5 A 98 LEU N N 15 118.769 0.5 A 99 LYS H H 1 7.603 0.05 A 99 LYS HA H 1 3.416 0.05 A 99 LYS HB2 H 1 1.783 0.05 A 99 LYS HB3 H 1 1.783 0.05 A 99 LYS C C 13 177.639 0.5 A 99 LYS CA C 13 60.833 0.5 A 99 LYS CB C 13 32.044 0.5 A 99 LYS CD C 13 29.51 0.5 A 99 LYS CG C 13 26.466 0.5 A 99 LYS N N 15 117.567 0.5 A 100 GLN H H 1 7.625 0.05 A 100 GLN HA H 1 3.812 0.05 A 100 GLN HB2 H 1 2.127 0.05 A 100 GLN HB3 H 1 2.127 0.05 A 100 GLN C C 13 178.165 0.5 A 100 GLN CA C 13 58.784 0.5 A 100 GLN CB C 13 27.483 0.5 A 100 GLN CG C 13 33.784 0.5 A 100 GLN N N 15 114.564 0.5 A 101 ALA H H 1 7.355 0.05 A 101 ALA HA H 1 3.288 0.05 A 101 ALA HB% H 1 1.341 0.05 A 101 ALA C C 13 178.865 0.5 A 101 ALA CA C 13 54.964 0.5 A 101 ALA CB C 13 17.861 0.5 A 101 ALA N N 15 121.499 0.5 A 102 LEU H H 1 7.941 0.05 A 102 LEU HA H 1 4.766 0.05 A 102 LEU HB2 H 1 2.726 0.05 A 102 LEU HB3 H 1 2.726 0.05 A 102 LEU HDx% H 1 0.897 0.05 A 102 LEU C C 13 179.324 0.5 A 102 LEU CA C 13 57.496 0.5 A 102 LEU CB C 13 41.728 0.5 A 102 LEU N N 15 115.061 0.5 A 103 LEU H H 1 8.266 0.05 A 103 LEU HA H 1 4.837 0.05 A 103 LEU HDx% H 1 0.655 0.05 A 103 LEU HG H 1 1.554 0.05 A 103 LEU C C 13 178.5 0.5 A 103 LEU CA C 13 54.889 0.5 A 103 LEU CB C 13 43.766 0.5 A 103 LEU N N 15 115.92 0.5 A 105 LEU HA H 1 4.635 0.05 A 105 LEU HB2 H 1 2.843 0.05 A 105 LEU HB3 H 1 2.843 0.05 A 105 LEU HDx% H 1 0.958 0.05 A 105 LEU C C 13 175.743 0.5 A 105 LEU CA C 13 58.097 0.5 A 105 LEU CB C 13 38.778 0.5 A 106 HIS H H 1 8.252 0.05 A 106 HIS HA H 1 4.266 0.05 A 106 HIS HBy H 1 2.272 0.05 A 106 HIS HBx H 1 1.911 0.05 A 106 HIS CA C 13 57.114 0.5 A 106 HIS CB C 13 30.125 0.5 A 106 HIS N N 15 122.167 0.5 A 107 ASN C C 13 179.694 0.5 A 107 ASN CA C 13 58.331 0.5 A 107 ASN CB C 13 41.997 0.5 A 108 ASP H H 1 8.174 0.05 A 108 ASP C C 13 179.328 0.5 A 108 ASP CA C 13 57.689 0.5 A 108 ASP CB C 13 42.04 0.5 A 108 ASP N N 15 122.462 0.5 A 109 LEU H H 1 8.38 0.05 A 109 LEU HA H 1 4.852 0.05 A 109 LEU HB2 H 1 1.54 0.05 A 109 LEU HB3 H 1 1.54 0.05 A 109 LEU HDx% H 1 0.559 0.05 A 109 LEU C C 13 178.51 0.5 A 109 LEU CA C 13 55.154 0.5 A 109 LEU CB C 13 44.148 0.5 A 109 LEU CD1 C 13 24.007 0.5 A 109 LEU CG C 13 26.466 0.5 A 109 LEU N N 15 115.664 0.5 A 110 HIS H H 1 8.518 0.05 A 110 HIS HA H 1 3.91 0.05 A 110 HIS C C 13 176.152 0.5 A 110 HIS CA C 13 61.012 0.5 A 110 HIS CB C 13 28.112 0.5 A 110 HIS N N 15 118.905 0.5 A 111 GLU H H 1 8.018 0.05 A 111 GLU HA H 1 3.731 0.05 A 111 GLU C C 13 176.596 0.5 A 111 GLU CA C 13 58.394 0.5 A 111 GLU CB C 13 29.044 0.5 A 111 GLU CG C 13 36.126 0.5 A 111 GLU N N 15 117.923 0.5 A 112 TYR H H 1 7.905 0.05 A 112 TYR HA H 1 4.437 0.05 A 112 TYR HBy H 1 3.245 0.05 A 112 TYR HBx H 1 2.521 0.05 A 112 TYR HD1 H 1 6.959 0.05 A 112 TYR HD2 H 1 6.959 0.05 A 112 TYR C C 13 174.448 0.5 A 112 TYR CA C 13 57.772 0.5 A 112 TYR CB C 13 39.987 0.5 A 112 TYR N N 15 114.607 0.5 A 113 VAL H H 1 6.976 0.05 A 113 VAL HA H 1 4.106 0.05 A 113 VAL HB H 1 1.684 0.05 A 113 VAL HGx% H 1 0.623 0.05 A 113 VAL C C 13 175.134 0.5 A 113 VAL CA C 13 62.687 0.5 A 113 VAL CB C 13 34.228 0.5 A 113 VAL CG1 C 13 22.565 0.5 A 113 VAL N N 15 118.003 0.5 A 114 GLU H H 1 9.461 0.05 A 114 GLU HA H 1 4.494 0.05 A 114 GLU HBy H 1 2.062 0.05 A 114 GLU HBx H 1 1.752 0.05 A 114 GLU C C 13 175.879 0.5 A 114 GLU CA C 13 56.88 0.5 A 114 GLU CB C 13 31.81 0.5 A 114 GLU N N 15 125.345 0.5 A 122 TYR HA H 1 4.07 0.05 A 122 TYR HBy H 1 2.233 0.05 A 122 TYR HBx H 1 1.779 0.05 A 122 TYR HD1 H 1 7.189 0.05 A 122 TYR HD2 H 1 7.189 0.05 A 122 TYR HE1 H 1 6.782 0.05 A 122 TYR HE2 H 1 6.782 0.05 A 122 TYR C C 13 175.991 0.5 A 122 TYR CA C 13 62.195 0.5 A 122 TYR CB C 13 38.307 0.5 A 123 HIS H H 1 8.075 0.05 A 123 HIS HA H 1 4.203 0.05 A 123 HIS CA C 13 56.715 0.5 A 123 HIS CB C 13 32.74 0.5 A 123 HIS N N 15 124.549 0.5 A 124 THR HA H 1 4.274 0.05 A 124 THR C C 13 180.323 0.5 A 124 THR CA C 13 62.254 0.5 A 124 THR CB C 13 70.157 0.5 A 125 TYR H H 1 8.112 0.05 A 125 TYR HA H 1 4.132 0.05 A 125 TYR HB2 H 1 1.835 0.05 A 125 TYR HB3 H 1 1.835 0.05 A 125 TYR HD1 H 1 7.258 0.05 A 125 TYR HD2 H 1 7.258 0.05 A 125 TYR HE1 H 1 6.91 0.05 A 125 TYR HE2 H 1 6.91 0.05 A 125 TYR C C 13 175.172 0.5 A 125 TYR CA C 13 61.575 0.5 A 125 TYR CB C 13 38.86 0.5 A 125 TYR N N 15 121.992 0.5 A 126 GLU H H 1 7.835 0.05 A 126 GLU C C 13 179.388 0.5 A 126 GLU CA C 13 57.106 0.5 A 126 GLU CB C 13 30.624 0.5 A 126 GLU CG C 13 36.477 0.5 A 126 GLU N N 15 127.245 0.5 A 127 ALA H H 1 8.091 0.05 A 127 ALA HA H 1 4.215 0.05 A 127 ALA HB% H 1 1.35 0.05 A 127 ALA C C 13 177.573 0.5 A 127 ALA CA C 13 53.203 0.5 A 127 ALA CB C 13 19.267 0.5 A 127 ALA N N 15 123.948 0.5 A 128 ASP H H 1 8.15 0.05 A 128 ASP HA H 1 4.531 0.05 A 128 ASP HB2 H 1 2.628 0.05 A 128 ASP HB3 H 1 2.628 0.05 A 128 ASP C C 13 176.104 0.5 A 128 ASP CA C 13 55.037 0.5 A 128 ASP CB C 13 41.123 0.5 A 128 ASP N N 15 118.462 0.5 A 129 TYR H H 1 7.813 0.05 A 129 TYR HA H 1 4.508 0.05 A 129 TYR HB2 H 1 2.993 0.05 A 129 TYR HB3 H 1 2.993 0.05 A 129 TYR HD1 H 1 7.023 0.05 A 129 TYR HD2 H 1 7.023 0.05 A 129 TYR HE1 H 1 6.764 0.05 A 129 TYR HE2 H 1 6.764 0.05 A 129 TYR C C 13 175.625 0.5 A 129 TYR CA C 13 58.296 0.5 A 129 TYR CB C 13 38.684 0.5 A 129 TYR N N 15 119.646 0.5 A 130 ILE H H 1 7.802 0.05 A 130 ILE HA H 1 4.215 0.05 A 130 ILE C C 13 176.159 0.5 A 130 ILE CA C 13 61.477 0.5 A 130 ILE CB C 13 38.528 0.5 A 130 ILE CG1 C 13 27.461 0.5 A 130 ILE CG2 C 13 17.216 0.5 A 130 ILE N N 15 122.284 0.5 A 131 LYS H H 1 8.053 0.05 A 131 LYS HA H 1 4.222 0.05 A 131 LYS HB2 H 1 1.807 0.05 A 131 LYS HB3 H 1 1.807 0.05 A 131 LYS C C 13 176.825 0.5 A 131 LYS CA C 13 56.93 0.5 A 131 LYS CB C 13 33.161 0.5 A 131 LYS CD C 13 29.628 0.5 A 131 LYS CE C 13 42.097 0.5 A 131 LYS CG C 13 24.768 0.5 A 131 LYS N N 15 123.816 0.5 A 132 GLU H H 1 8.296 0.05 A 132 GLU HA H 1 4.252 0.05 A 132 GLU C C 13 175.827 0.5 A 132 GLU CA C 13 56.962 0.5 A 132 GLU CB C 13 29.768 0.5 A 132 GLU N N 15 121.558 0.5 A 133 GLN H H 1 8.259 0.05 A 133 GLN HA H 1 4.249 0.05 A 133 GLN C C 13 176.708 0.5 A 133 GLN CA C 13 56.592 0.5 A 133 GLN CB C 13 29.645 0.5 A 133 GLN CG C 13 34.194 0.5 A 133 GLN N N 15 121.031 0.5 A 134 ASP H H 1 8.253 0.05 A 134 ASP HA H 1 4.632 0.05 A 134 ASP HB2 H 1 2.698 0.05 A 134 ASP HB3 H 1 2.698 0.05 A 134 ASP C C 13 176.386 0.5 A 134 ASP CA C 13 54.97 0.5 A 134 ASP CB C 13 41.436 0.5 A 134 ASP N N 15 120.377 0.5 A 135 SER H H 1 8.163 0.05 A 135 SER HA H 1 4.6 0.05 A 135 SER HB2 H 1 3.908 0.05 A 135 SER HB3 H 1 3.908 0.05 A 135 SER C C 13 173.577 0.5 A 135 SER CA C 13 58.608 0.5 A 135 SER CB C 13 64.19 0.5 A 135 SER N N 15 115.471 0.5 A 136 VAL H H 1 7.66 0.05 A 136 VAL HA H 1 3.99 0.05 A 136 VAL HB H 1 2.04 0.05 A 136 VAL HGx% H 1 0.941 0.05 A 136 VAL C C 13 176.182 0.5 A 136 VAL CA C 13 63.507 0.5 A 136 VAL CB C 13 32.693 0.5 A 136 VAL CG1 C 13 20.67 0.5 A 136 VAL N N 15 125.328 0.5 A 137 TYR H H 1 7.966 0.05 A 137 TYR HA H 1 4.565 0.05 A 137 TYR HB2 H 1 2.646 0.05 A 137 TYR HB3 H 1 2.646 0.05 A 137 TYR HD1 H 1 7.05 0.05 A 137 TYR HD2 H 1 7.05 0.05 A 137 TYR HE1 H 1 6.702 0.05 A 137 TYR HE2 H 1 6.702 0.05 A 137 TYR C C 13 175.508 0.5 A 137 TYR CA C 13 58.238 0.5 A 137 TYR CB C 13 38.782 0.5 A 137 TYR N N 15 121.579 0.5 A 138 ASP H H 1 8.053 0.05 A 138 ASP CA C 13 54.538 0.5 A 138 ASP CB C 13 41.307 0.5 A 138 ASP N N 15 121.53 0.5 A 139 ARG HA H 1 4.344 0.05 A 139 ARG HB2 H 1 1.873 0.05 A 139 ARG HB3 H 1 1.873 0.05 A 139 ARG C C 13 176.255 0.5 A 139 ARG CA C 13 56.048 0.5 A 139 ARG CB C 13 30.581 0.5 A 139 ARG CD C 13 43.444 0.5 A 139 ARG CG C 13 27.052 0.5 A 140 SER H H 1 8.202 0.05 A 140 SER HA H 1 4.305 0.05 A 140 SER CA C 13 56.763 0.5 A 140 SER CB C 13 63.437 0.5 A 140 SER N N 15 117.321 0.5 A 142 LYS C C 13 175.86 0.5 A 142 LYS CA C 13 56.575 0.5 A 142 LYS CB C 13 33.099 0.5 A 142 LYS CD C 13 29.569 0.5 A 142 LYS CE C 13 41.805 0.5 A 142 LYS CG C 13 24.768 0.5 A 143 LYS H H 1 8.15 0.05 A 143 LYS HA H 1 4.317 0.05 A 143 LYS HB2 H 1 1.822 0.05 A 143 LYS HB3 H 1 1.822 0.05 A 143 LYS C C 13 175.552 0.5 A 143 LYS CA C 13 56.833 0.5 A 143 LYS CB C 13 33.142 0.5 A 143 LYS CD C 13 29.101 0.5 A 143 LYS CE C 13 42.273 0.5 A 143 LYS CG C 13 24.768 0.5 A 143 LYS N N 15 121.435 0.5 A 144 LYS H H 1 7.887 0.05 A 144 LYS C C 13 181.245 0.5 A 144 LYS CA C 13 57.788 0.5 A 144 LYS CB C 13 33.609 0.5 A 144 LYS N N 15 128.243 0.5 A 145 TYR HA H 1 4.561 0.05 A 145 TYR HB2 H 1 2.987 0.05 A 145 TYR HB3 H 1 2.987 0.05 A 145 TYR HD1 H 1 7.023 0.05 A 145 TYR HD2 H 1 7.023 0.05 A 145 TYR HE1 H 1 6.743 0.05 A 145 TYR HE2 H 1 6.743 0.05 A 145 TYR C C 13 175.201 0.5 A 145 TYR CA C 13 57.804 0.5 A 145 TYR CB C 13 38.778 0.5 A 146 ILE H H 1 7.914 0.05 A 146 ILE HA H 1 4.061 0.05 A 146 ILE HB H 1 1.779 0.05 A 146 ILE C C 13 175.43 0.5 A 146 ILE CA C 13 60.853 0.5 A 146 ILE CB C 13 39.016 0.5 A 146 ILE CD1 C 13 17.216 0.5 A 146 ILE CG1 C 13 27.227 0.5 A 146 ILE N N 15 123.473 0.5 A 147 LYS H H 1 8.186 0.05 A 147 LYS HA H 1 4.274 0.05 A 147 LYS HB2 H 1 1.785 0.05 A 147 LYS HB3 H 1 1.785 0.05 A 147 LYS C C 13 175.743 0.5 A 147 LYS CA C 13 56.403 0.5 A 147 LYS CB C 13 33.161 0.5 A 147 LYS CD C 13 29.335 0.5 A 147 LYS CE C 13 41.922 0.5 A 147 LYS CG C 13 24.768 0.5 A 147 LYS N N 15 126.191 0.5 A 148 ALA H H 1 8.321 0.05 A 148 ALA HA H 1 4.354 0.05 A 148 ALA C C 13 176.738 0.5 A 148 ALA CA C 13 52.754 0.5 A 148 ALA CB C 13 19.501 0.5 A 148 ALA N N 15 127.131 0.5 A 149 SER H H 1 7.836 0.05 A 149 SER CA C 13 59.866 0.5 A 149 SER CB C 13 64.959 0.5 A 149 SER N N 15 120.767 . 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 6 ILE H A 6 ILE HA 1.0 1.8 4.0 2 2 A 6 ILE H A 6 ILE HB 1.0 1.8 3.0 3 3 A 6 ILE H A 7 LEU H 1.0 1.8 4.0 4 4 A 6 ILE H A 8 LEU H 1.0 1.8 5.5 5 5 A 6 ILE HB A 7 LEU H 1.0 1.8 4.0 6 6 A 6 ILE H A 7 LEU H 1.0 1.8 5.5 7 7 A 7 LEU H A 7 LEU HA 1.0 1.8 4.0 8 8 A 7 LEU H A 7 LEU HBx 1.0 1.8 4.0 9 9 A 7 LEU H A 7 LEU HBy 1.0 1.8 4.0 10 10 A 7 LEU H A 7 LEU HG 1.0 1.8 4.0 11 11 A 7 LEU H A 8 LEU H 1.0 1.8 5.5 12 12 A 8 LEU H A 7 LEU HA 1.0 1.8 5.5 13 13 A 7 LEU H A 8 LEU H 1.0 1.8 5.5 14 14 A 8 LEU H A 8 LEU HA 1.0 1.8 5.5 15 15 A 8 LEU H A 8 LEU HB2 1.0 1.8 5.5 16 15 A 8 LEU H A 8 LEU HB3 1.0 1.8 5.5 17 16 A 15 ASP H A 15 ASP HA 1.0 1.8 5.5 18 17 A 16 GLN H A 16 GLN HA 1.0 1.8 5.5 19 18 A 16 GLN H A 16 GLN HB2 1.0 1.8 4.0 20 18 A 16 GLN H A 16 GLN HB3 1.0 1.8 4.0 21 19 A 16 GLN H A 17 TYR H 1.0 1.8 5.5 22 20 A 17 TYR H A 17 TYR HA 1.0 1.8 5.5 23 21 A 17 TYR H A 17 TYR HB2 1.0 1.8 5.5 24 21 A 17 TYR H A 17 TYR HB3 1.0 1.8 5.5 25 22 A 21 LEU H A 20 ASN HBy 1.0 1.8 5.5 26 23 A 21 LEU H A 21 LEU HA 1.0 1.8 4.0 27 24 A 21 LEU H A 21 LEU HA 1.0 1.8 4.0 28 25 A 21 LEU H A 21 LEU HBx 1.0 1.8 5.5 29 26 A 21 LEU H A 21 LEU HBx 1.0 1.8 4.0 30 27 A 21 LEU H A 21 LEU HBy 1.0 1.8 4.0 31 28 A 21 LEU H A 21 LEU HBy 1.0 1.8 4.0 32 29 A 21 LEU H A 21 LEU HDx% 1.0 1.8 5.5 33 30 A 21 LEU H A 21 LEU HDx% 1.0 1.8 4.0 34 31 A 21 LEU HA A 22 LYS H 1.0 1.8 4.0 35 32 A 22 LYS H A 22 LYS HA 1.0 1.8 3.0 36 33 A 22 LYS H A 22 LYS HB2 1.0 1.8 3.0 37 33 A 22 LYS H A 22 LYS HB3 1.0 1.8 3.0 38 34 A 22 LYS HA A 23 ASN H 1.0 1.8 4.0 39 35 A 23 ASN H A 23 ASN HA 1.0 1.8 5.5 40 36 A 23 ASN H A 23 ASN HBx 1.0 1.8 3.0 41 37 A 23 ASN H A 23 ASN HBy 1.0 1.8 4.0 42 38 A 23 ASN HA A 24 ASN H 1.0 1.8 5.5 43 39 A 24 ASN H A 24 ASN HA 1.0 1.8 5.5 44 40 A 24 ASN H A 24 ASN HB2 1.0 1.8 5.5 45 40 A 24 ASN H A 24 ASN HB3 1.0 1.8 5.5 46 41 A 26 THR H A 26 THR HA 1.0 1.8 5.5 47 42 A 26 THR H A 26 THR HG2% 1.0 1.8 5.5 48 42 A 26 THR H A 26 THR HG1 1.0 1.8 5.5 49 43 A 28 LYS H A 28 LYS HB2 1.0 1.8 5.5 50 43 A 28 LYS H A 28 LYS HB3 1.0 1.8 5.5 51 44 A 29 GLN H A 28 LYS HA 1.0 1.8 3.0 52 45 A 28 LYS H A 29 GLN H 1.0 1.8 5.5 53 46 A 29 GLN H A 29 GLN HA 1.0 1.8 5.5 54 47 A 29 GLN H A 29 GLN HBx 1.0 1.8 4.0 55 48 A 29 GLN H A 29 GLN HBy 1.0 1.8 3.0 56 49 A 29 GLN H A 85 PHE HD% 1.0 1.8 5.5 57 50 A 29 GLN H A 87 PRO HA 1.0 1.8 4.0 58 51 A 29 GLN HA A 30 GLU H 1.0 1.8 4.0 59 52 A 29 GLN HBx A 30 GLU H 1.0 1.8 4.0 60 53 A 30 GLU H A 30 GLU HA 1.0 1.8 5.5 61 54 A 30 GLU H A 30 GLU HB2 1.0 1.8 4.0 62 54 A 30 GLU H A 30 GLU HB3 1.0 1.8 4.0 63 55 A 85 PHE HD% A 30 GLU H 1.0 1.8 5.5 64 56 A 30 GLU HA A 31 LEU H 1.0 1.8 4.0 65 57 A 31 LEU H A 31 LEU HA 1.0 1.8 4.0 66 58 A 31 LEU H A 31 LEU HB2 1.0 1.8 4.0 67 58 A 31 LEU H A 31 LEU HB3 1.0 1.8 4.0 68 59 A 31 LEU H A 31 LEU HDx% 1.0 1.8 5.5 69 60 A 31 LEU H A 83 CYS HA 1.0 3.3 6.5 70 61 A 31 LEU H A 84 ILE H 1.0 1.8 5.5 71 62 A 31 LEU H A 85 PHE HA 1.0 1.8 5.5 72 63 A 85 PHE HD% A 31 LEU H 1.0 1.8 5.5 73 64 A 32 ILE H A 32 ILE HA 1.0 1.8 5.5 74 65 A 32 ILE H A 32 ILE HB 1.0 1.8 5.5 75 66 A 32 ILE H A 32 ILE HD1% 1.0 1.8 5.5 76 67 A 34 VAL H A 33 LEU HBy 1.0 1.8 4.0 77 68 A 34 VAL H A 34 VAL HA 1.0 1.8 5.5 78 69 A 34 VAL H A 34 VAL HB 1.0 1.8 4.0 79 70 A 34 VAL H A 34 VAL HGx% 1.0 1.8 5.5 80 71 A 34 VAL H A 35 LEU H 1.0 1.8 4.0 81 72 A 34 VAL HA A 35 LEU H 1.0 1.8 5.5 82 73 A 34 VAL HGx% A 35 LEU H 1.0 1.8 3.0 83 74 A 34 VAL H A 35 LEU H 1.0 1.8 4.0 84 75 A 35 LEU H A 35 LEU HA 1.0 1.8 4.0 85 76 A 35 LEU H A 35 LEU HBx 1.0 1.8 3.0 86 77 A 35 LEU H A 35 LEU HBy 1.0 1.8 4.0 87 78 A 35 LEU H A 35 LEU HDx% 1.0 1.8 4.0 88 79 A 37 GLY H A 37 GLY HA2 1.0 1.8 4.0 89 79 A 37 GLY H A 37 GLY HA3 1.0 1.8 4.0 90 80 A 37 GLY H A 38 GLU HB2 1.0 1.8 5.5 91 80 A 37 GLY H A 38 GLU HB3 1.0 1.8 5.5 92 81 A 38 GLU H A 37 GLY HA2 1.0 1.8 4.0 93 81 A 37 GLY HA3 A 38 GLU H 1.0 1.8 4.0 94 82 A 38 GLU H A 38 GLU HA 1.0 1.8 4.0 95 83 A 38 GLU H A 38 GLU HB2 1.0 1.8 3.0 96 83 A 38 GLU HB3 A 38 GLU H 1.0 1.8 3.0 97 84 A 38 GLU H A 39 LEU H 1.0 1.8 5.5 98 85 A 39 LEU H A 38 GLU HB2 1.0 1.8 5.5 99 85 A 38 GLU HB3 A 39 LEU H 1.0 1.8 5.5 100 86 A 38 GLU H A 39 LEU H 1.0 1.8 5.5 101 87 A 39 LEU H A 39 LEU HA 1.0 1.8 5.5 102 88 A 39 LEU H A 39 LEU HB2 1.0 1.8 4.0 103 88 A 39 LEU H A 39 LEU HB3 1.0 1.8 4.0 104 89 A 40 ASP H A 40 ASP HA 1.0 1.8 5.5 105 90 A 41 LEU H A 41 LEU HB2 1.0 1.8 5.5 106 90 A 41 LEU H A 41 LEU HB3 1.0 1.8 5.5 107 91 A 41 LEU H A 41 LEU HDx% 1.0 1.8 5.5 108 92 A 43 SER H A 42 HIS HB2 1.0 1.8 5.5 109 92 A 43 SER H A 42 HIS HB3 1.0 1.8 5.5 110 93 A 43 SER H A 42 HIS H 1.0 1.8 4.0 111 94 A 43 SER H A 43 SER HA 1.0 1.8 4.0 112 95 A 45 ASN H A 46 MET H 1.0 1.8 4.0 113 96 A 46 MET H A 45 ASN HB2 1.0 1.8 5.5 114 96 A 46 MET H A 45 ASN HB3 1.0 1.8 5.5 115 97 A 46 MET H A 46 MET HA 1.0 1.8 5.5 116 98 A 46 MET H A 46 MET HBx 1.0 1.8 5.5 117 99 A 46 MET H A 46 MET HBy 1.0 1.8 5.5 118 100 A 46 MET H A 47 LYS H 1.0 1.8 5.5 119 101 A 46 MET H A 48 ASN H 1.0 1.8 5.5 120 102 A 47 LYS H A 47 LYS HB2 1.0 1.8 4.0 121 102 A 47 LYS H A 47 LYS HB3 1.0 1.8 4.0 122 103 A 46 MET HA A 48 ASN H 1.0 1.8 4.0 123 104 A 46 MET H A 48 ASN H 1.0 1.8 5.5 124 105 A 48 ASN H A 47 LYS HB2 1.0 1.8 4.0 125 105 A 48 ASN H A 47 LYS HB3 1.0 1.8 4.0 126 106 A 47 LYS H A 48 ASN H 1.0 1.8 4.0 127 107 A 48 ASN H A 48 ASN HA 1.0 1.8 4.0 128 108 A 48 ASN H A 48 ASN HB2 1.0 1.8 3.0 129 108 A 48 ASN H A 48 ASN HB3 1.0 1.8 3.0 130 109 A 46 MET HA A 49 VAL H 1.0 1.8 4.0 131 110 A 47 LYS H A 49 VAL H 1.0 1.8 5.5 132 111 A 49 VAL H A 48 ASN HB2 1.0 1.8 5.5 133 111 A 48 ASN HB3 A 49 VAL H 1.0 1.8 5.5 134 112 A 49 VAL H A 49 VAL HA 1.0 1.8 5.5 135 113 A 49 VAL H A 49 VAL HB 1.0 1.8 4.0 136 114 A 49 VAL H A 49 VAL HGx% 1.0 1.8 4.0 137 115 A 49 VAL H A 49 VAL HGy% 1.0 1.8 4.0 138 116 A 49 VAL H A 50 ILE H 1.0 1.8 5.5 139 117 A 46 MET HA A 50 ILE H 1.0 1.8 5.5 140 118 A 49 VAL HA A 50 ILE H 1.0 1.8 5.5 141 119 A 49 VAL HB A 50 ILE H 1.0 1.8 4.0 142 120 A 50 ILE H A 50 ILE HA 1.0 1.8 4.0 143 121 A 50 ILE H A 50 ILE HB 1.0 1.8 3.0 144 122 A 50 ILE H A 50 ILE HG12 1.0 1.8 4.0 145 122 A 50 ILE H A 50 ILE HG13 1.0 1.8 4.0 146 123 A 50 ILE H A 52 ASN H 1.0 1.8 5.5 147 124 A 49 VAL HA A 52 ASN H 1.0 1.8 5.5 148 125 A 52 ASN H A 52 ASN HA 1.0 1.8 3.0 149 126 A 52 ASN H A 52 ASN HB2 1.0 1.8 3.0 150 126 A 52 ASN H A 52 ASN HB3 1.0 1.8 3.0 151 127 A 52 ASN H A 53 ALA H 1.0 1.8 4.0 152 128 A 53 ALA H A 52 ASN HB2 1.0 1.8 4.0 153 128 A 52 ASN HB3 A 53 ALA H 1.0 1.8 4.0 154 129 A 52 ASN H A 53 ALA H 1.0 1.8 4.0 155 130 A 53 ALA H A 53 ALA HA 1.0 1.8 4.0 156 131 A 53 ALA H A 53 ALA HB% 1.0 1.8 4.0 157 132 A 52 ASN HA A 54 LYS H 1.0 1.8 4.0 158 133 A 53 ALA HA A 54 LYS H 1.0 1.8 4.0 159 134 A 53 ALA HB% A 54 LYS H 1.0 1.8 5.5 160 135 A 53 ALA H A 54 LYS H 1.0 1.8 3.0 161 136 A 54 LYS H A 54 LYS HA 1.0 1.8 5.5 162 137 A 55 LYS H A 55 LYS HB2 1.0 1.8 4.0 163 137 A 55 LYS H A 55 LYS HB3 1.0 1.8 4.0 164 138 A 53 ALA HA A 56 ASN H 1.0 1.8 4.0 165 139 A 56 ASN H A 55 LYS HB2 1.0 1.8 3.0 166 139 A 55 LYS HB3 A 56 ASN H 1.0 1.8 3.0 167 140 A 56 ASN H A 56 ASN HA 1.0 1.8 5.5 168 141 A 56 ASN H A 56 ASN HBx 1.0 1.8 4.0 169 142 A 56 ASN H A 56 ASN HBy 1.0 1.8 4.0 170 143 A 53 ALA HB% A 56 ASN HD2x 1.0 1.8 5.5 171 144 A 53 ALA H A 56 ASN HD2y 1.0 1.8 5.5 172 145 A 56 ASN HA A 56 ASN HD2x 1.0 1.8 5.5 173 146 A 56 ASN HA A 56 ASN HD2y 1.0 1.8 5.5 174 147 A 56 ASN HBx A 56 ASN HD2x 1.0 1.8 4.0 175 148 A 56 ASN HBx A 56 ASN HD2y 1.0 1.8 4.0 176 149 A 56 ASN HBy A 56 ASN HD2x 1.0 1.8 4.0 177 150 A 56 ASN HBy A 56 ASN HD2y 1.0 1.8 4.0 178 151 A 56 ASN H A 56 ASN HD2x 1.0 1.8 5.5 179 152 A 56 ASN H A 56 ASN HD2y 1.0 1.8 4.0 180 153 A 57 LEU H A 55 LYS HA 1.0 1.8 5.5 181 154 A 56 ASN HA A 57 LEU H 1.0 1.8 5.5 182 155 A 56 ASN HBx A 57 LEU H 1.0 1.8 5.5 183 156 A 56 ASN HBy A 57 LEU H 1.0 1.8 5.5 184 157 A 57 LEU H A 57 LEU HA 1.0 1.8 5.5 185 158 A 57 LEU H A 57 LEU HBx 1.0 1.8 4.0 186 159 A 57 LEU H A 57 LEU HBy 1.0 1.8 4.0 187 160 A 57 LEU H A 57 LEU HDx% 1.0 1.8 4.0 188 161 A 57 LEU H A 58 GLU H 1.0 1.8 5.5 189 162 A 57 LEU H A 59 LYS H 1.0 1.8 5.5 190 163 A 55 LYS HA A 58 GLU H 1.0 1.8 4.0 191 164 A 57 LEU HBx A 58 GLU H 1.0 1.8 4.0 192 165 A 57 LEU HBx A 58 GLU H 1.0 1.8 3.0 193 166 A 57 LEU HBy A 58 GLU H 1.0 1.8 3.0 194 167 A 57 LEU HDx% A 58 GLU H 1.0 1.8 4.0 195 168 A 57 LEU HDx% A 58 GLU H 1.0 1.8 4.0 196 169 A 57 LEU H A 58 GLU H 1.0 1.8 3.0 197 170 A 58 GLU H A 58 GLU HA 1.0 1.8 4.0 198 171 A 58 GLU H A 58 GLU HB2 1.0 1.8 4.0 199 171 A 58 GLU H A 58 GLU HB3 1.0 1.8 4.0 200 172 A 58 GLU H A 58 GLU HG2 1.0 1.8 3.0 201 172 A 58 GLU H A 58 GLU HG3 1.0 1.8 3.0 202 173 A 58 GLU H A 59 LYS H 1.0 1.8 3.0 203 174 A 58 GLU H A 60 TYR H 1.0 1.8 5.5 204 175 A 59 LYS H A 58 GLU HB2 1.0 1.8 5.5 205 175 A 59 LYS H A 58 GLU HB3 1.0 1.8 5.5 206 176 A 59 LYS H A 59 LYS HA 1.0 1.8 4.0 207 177 A 57 LEU HA A 60 TYR H 1.0 1.8 5.5 208 178 A 58 GLU HA A 60 TYR H 1.0 1.8 4.0 209 179 A 58 GLU H A 60 TYR H 1.0 1.8 5.5 210 180 A 59 LYS H A 60 TYR H 1.0 1.8 4.0 211 181 A 60 TYR H A 60 TYR HA 1.0 1.8 3.0 212 182 A 60 TYR H A 60 TYR HBx 1.0 1.8 5.5 213 183 A 60 TYR H A 60 TYR HBy 1.0 1.8 4.0 214 184 A 60 TYR H A 61 PHE H 1.0 1.8 4.0 215 185 A 60 TYR HA A 61 PHE H 1.0 1.8 4.0 216 186 A 60 TYR HBx A 61 PHE H 1.0 1.8 4.0 217 187 A 60 TYR HBy A 61 PHE H 1.0 1.8 3.0 218 188 A 60 TYR H A 61 PHE H 1.0 1.8 4.0 219 189 A 61 PHE H A 61 PHE HA 1.0 1.8 5.5 220 190 A 61 PHE H A 61 PHE HA 1.0 1.8 4.0 221 191 A 61 PHE H A 61 PHE HBx 1.0 1.8 3.0 222 192 A 61 PHE H A 61 PHE HBy 1.0 1.8 4.0 223 193 A 61 PHE H A 63 GLU H 1.0 1.8 4.0 224 194 A 58 GLU HA A 62 LYS H 1.0 1.8 4.0 225 195 A 61 PHE HBx A 62 LYS H 1.0 1.8 4.0 226 196 A 61 PHE HBy A 62 LYS H 1.0 1.8 4.0 227 197 A 62 LYS H A 62 LYS HA 1.0 1.8 4.0 228 198 A 62 LYS H A 62 LYS HB2 1.0 1.8 4.0 229 198 A 62 LYS H A 62 LYS HB3 1.0 1.8 4.0 230 199 A 63 GLU H A 62 LYS H 1.0 1.8 4.0 231 200 A 62 LYS H A 64 HIS H 1.0 1.8 4.0 232 201 A 63 GLU H A 62 LYS HA 1.0 1.8 4.0 233 202 A 63 GLU H A 62 LYS HB2 1.0 1.8 3.0 234 202 A 63 GLU H A 62 LYS HB3 1.0 1.8 3.0 235 203 A 63 GLU H A 62 LYS H 1.0 1.8 4.0 236 204 A 63 GLU H A 63 GLU HA 1.0 1.8 5.5 237 205 A 63 GLU H A 63 GLU HBx 1.0 1.8 4.0 238 206 A 63 GLU H A 63 GLU HBy 1.0 1.8 4.0 239 207 A 63 GLU H A 64 HIS H 1.0 1.8 4.0 240 208 A 64 HIS H A 64 HIS HB2 1.0 1.8 4.0 241 208 A 64 HIS H A 64 HIS HB3 1.0 1.8 4.0 242 209 A 65 PHE H A 64 HIS HA 1.0 1.8 3.0 243 210 A 65 PHE H A 65 PHE HA 1.0 1.8 4.0 244 211 A 65 PHE H A 65 PHE HBx 1.0 1.8 4.0 245 212 A 65 PHE H A 65 PHE HBy 1.0 1.8 3.0 246 213 A 67 GLU H A 67 GLU HA 1.0 1.8 4.0 247 214 A 67 GLU H A 67 GLU HB2 1.0 1.8 5.5 248 214 A 67 GLU H A 67 GLU HB3 1.0 1.8 5.5 249 215 A 67 GLU H A 68 PHE H 1.0 1.8 5.5 250 216 A 68 PHE H A 67 GLU HB2 1.0 1.8 5.5 251 216 A 67 GLU HB3 A 68 PHE H 1.0 1.8 5.5 252 217 A 67 GLU H A 68 PHE H 1.0 1.8 5.5 253 218 A 68 PHE H A 68 PHE HA 1.0 1.8 3.0 254 219 A 68 PHE H A 68 PHE HB2 1.0 1.8 3.0 255 219 A 68 PHE H A 68 PHE HB3 1.0 1.8 3.0 256 220 A 68 PHE H A 68 PHE HD% 1.0 1.8 4.0 257 221 A 68 PHE HA A 69 ASP H 1.0 1.8 4.0 258 222 A 69 ASP H A 68 PHE HB2 1.0 1.8 5.5 259 222 A 68 PHE HB3 A 69 ASP H 1.0 1.8 5.5 260 223 A 69 ASP H A 69 ASP HA 1.0 1.8 5.5 261 224 A 69 ASP H A 69 ASP HB2 1.0 1.8 4.0 262 224 A 69 ASP H A 69 ASP HB3 1.0 1.8 4.0 263 225 A 69 ASP H A 70 LYS H 1.0 1.8 5.5 264 226 A 70 LYS H A 70 LYS HB2 1.0 1.8 5.5 265 226 A 70 LYS H A 70 LYS HB3 1.0 1.8 5.5 266 227 A 70 LYS H A 88 THR HA 1.0 1.8 5.5 267 228 A 71 ILE H A 70 LYS HA 1.0 1.8 4.0 268 229 A 71 ILE H A 70 LYS HB2 1.0 1.8 4.0 269 229 A 70 LYS HB3 A 71 ILE H 1.0 1.8 4.0 270 230 A 70 LYS H A 71 ILE H 1.0 1.8 5.5 271 231 A 71 ILE H A 71 ILE HA 1.0 1.8 5.5 272 232 A 71 ILE H A 71 ILE HB 1.0 1.8 5.5 273 233 A 71 ILE H A 71 ILE HG12 1.0 1.8 5.5 274 233 A 71 ILE H A 71 ILE HG13 1.0 1.8 5.5 275 234 A 71 ILE HA A 72 SER H 1.0 1.8 4.0 276 235 A 71 ILE HB A 72 SER H 1.0 1.8 5.5 277 236 A 72 SER H A 71 ILE HG12 1.0 1.8 4.0 278 236 A 71 ILE HG13 A 72 SER H 1.0 1.8 4.0 279 237 A 71 ILE H A 72 SER H 1.0 1.8 5.5 280 238 A 72 SER H A 72 SER HA 1.0 1.8 4.0 281 239 A 72 SER H A 72 SER HB2 1.0 1.8 4.0 282 239 A 72 SER H A 72 SER HB3 1.0 1.8 4.0 283 240 A 72 SER H A 85 PHE H 1.0 1.8 5.5 284 241 A 72 SER HA A 73 TYR H 1.0 1.8 3.0 285 242 A 73 TYR H A 72 SER HB2 1.0 1.8 4.0 286 242 A 72 SER HB3 A 73 TYR H 1.0 1.8 4.0 287 243 A 72 SER H A 73 TYR H 1.0 1.8 5.5 288 244 A 73 TYR H A 73 TYR HA 1.0 1.8 5.5 289 245 A 73 TYR H A 73 TYR HBx 1.0 1.8 5.5 290 246 A 73 TYR H A 73 TYR HBy 1.0 1.8 5.5 291 247 A 73 TYR H A 73 TYR HD% 1.0 2.3 6.0 292 248 A 73 TYR H A 74 ASP H 1.0 1.8 5.5 293 249 A 73 TYR HA A 74 ASP H 1.0 1.8 3.0 294 250 A 73 TYR HBx A 74 ASP H 1.0 1.8 4.0 295 251 A 73 TYR HD% A 74 ASP H 1.0 1.8 4.0 296 252 A 74 ASP H A 74 ASP HA 1.0 1.8 4.0 297 253 A 74 ASP H A 74 ASP HB2 1.0 1.8 3.0 298 253 A 74 ASP H A 74 ASP HB3 1.0 1.8 3.0 299 254 A 74 ASP H A 83 CYS H 1.0 1.8 5.5 300 255 A 74 ASP H A 84 ILE HA 1.0 1.8 5.5 301 256 A 74 ASP H A 84 ILE HB 1.0 1.8 5.5 302 257 A 85 PHE H A 74 ASP H 1.0 3.3 6.5 303 258 A 76 SER H A 75 ILE HA 1.0 1.8 3.0 304 259 A 76 SER H A 75 ILE H 1.0 1.8 5.5 305 260 A 76 SER H A 76 SER HA 1.0 1.8 4.0 306 261 A 76 SER H A 76 SER HB2 1.0 1.8 4.0 307 261 A 76 SER H A 76 SER HB3 1.0 1.8 4.0 308 262 A 77 THR H A 77 THR HA 1.0 1.8 4.0 309 263 A 77 THR H A 77 THR HB 1.0 1.8 5.5 310 264 A 77 THR H A 77 THR HG2% 1.0 1.8 5.5 311 265 A 79 ILE H A 78 PRO HB2 1.0 1.8 4.0 312 265 A 79 ILE H A 78 PRO HB3 1.0 1.8 4.0 313 266 A 79 ILE H A 79 ILE HA 1.0 1.8 5.5 314 267 A 79 ILE H A 79 ILE HB 1.0 1.8 5.5 315 268 A 79 ILE H A 79 ILE HD1% 1.0 1.8 4.0 316 269 A 79 ILE HB A 80 ASN H 1.0 1.8 5.5 317 270 A 80 ASN H A 80 ASN HA 1.0 1.8 3.0 318 271 A 80 ASN H A 80 ASN HB2 1.0 1.8 3.0 319 271 A 80 ASN H A 80 ASN HB3 1.0 1.8 3.0 320 272 A 80 ASN HA A 81 PHE H 1.0 1.8 5.5 321 273 A 82 LEU H A 82 LEU HDx% 1.0 1.8 5.5 322 274 A 82 LEU H A 82 LEU HA 1.0 1.8 5.5 323 275 A 82 LEU H A 82 LEU HB2 1.0 1.8 5.5 324 275 A 82 LEU H A 82 LEU HB3 1.0 1.8 5.5 325 276 A 82 LEU H A 82 LEU HDx% 1.0 1.8 4.0 326 277 A 82 LEU H A 82 LEU HG 1.0 1.8 5.5 327 278 A 74 ASP H A 83 CYS H 1.0 1.8 5.5 328 279 A 83 CYS H A 82 LEU HA 1.0 1.8 4.0 329 280 A 83 CYS H A 82 LEU HB2 1.0 1.8 5.5 330 280 A 83 CYS H A 82 LEU HB3 1.0 1.8 5.5 331 281 A 83 CYS H A 82 LEU HDx% 1.0 1.8 4.0 332 282 A 83 CYS HA A 83 CYS H 1.0 1.8 5.5 333 283 A 83 CYS H A 83 CYS HB2 1.0 1.8 4.0 334 283 A 83 CYS H A 83 CYS HB3 1.0 1.8 4.0 335 284 A 31 LEU H A 84 ILE H 1.0 1.8 5.5 336 285 A 83 CYS HA A 84 ILE H 1.0 1.8 4.0 337 286 A 84 ILE H A 83 CYS HB2 1.0 1.8 5.5 338 286 A 84 ILE H A 83 CYS HB3 1.0 1.8 5.5 339 287 A 84 ILE H A 84 ILE HA 1.0 1.8 5.5 340 288 A 84 ILE H A 84 ILE HB 1.0 1.8 4.0 341 289 A 84 ILE H A 84 ILE HD1% 1.0 1.8 5.5 342 290 A 85 PHE H A 73 TYR HA 1.0 1.8 5.5 343 291 A 85 PHE H A 84 ILE HA 1.0 1.8 4.0 344 292 A 85 PHE H A 84 ILE HB 1.0 1.8 5.5 345 293 A 85 PHE H A 84 ILE HD1% 1.0 1.8 4.0 346 294 A 85 PHE HA A 85 PHE H 1.0 1.8 5.5 347 295 A 85 PHE H A 85 PHE HBy 1.0 1.8 4.0 348 296 A 85 PHE H A 85 PHE HBx 1.0 1.8 4.0 349 297 A 85 PHE HD% A 85 PHE H 1.0 1.8 4.0 350 298 A 30 GLU HA A 86 ILE H 1.0 1.8 5.5 351 299 A 86 ILE H A 30 GLU HB2 1.0 1.8 4.0 352 299 A 30 GLU HB3 A 86 ILE H 1.0 1.8 4.0 353 300 A 84 ILE HD1% A 86 ILE H 1.0 1.8 5.5 354 301 A 85 PHE HA A 86 ILE H 1.0 1.8 4.0 355 302 A 85 PHE HD% A 86 ILE H 1.0 1.8 5.5 356 303 A 86 ILE H A 86 ILE HG12 1.0 1.8 5.5 357 303 A 86 ILE H A 86 ILE HG13 1.0 1.8 5.5 358 304 A 28 LYS HA A 88 THR H 1.0 1.8 3.0 359 305 A 29 GLN H A 88 THR H 1.0 3.3 6.5 360 306 A 87 PRO HA A 88 THR H 1.0 1.8 3.0 361 307 A 88 THR H A 87 PRO HBx 1.0 1.8 4.0 362 308 A 88 THR H A 87 PRO HBy 1.0 1.8 4.0 363 309 A 88 THR HA A 88 THR H 1.0 1.8 5.5 364 310 A 88 THR H A 88 THR HG2% 1.0 1.8 4.0 365 311 A 88 THR H A 90 PHE H 1.0 1.8 5.5 366 312 A 88 THR HA A 89 LEU H 1.0 1.8 4.0 367 313 A 88 THR H A 89 LEU H 1.0 1.8 5.5 368 314 A 89 LEU H A 89 LEU HA 1.0 1.8 4.0 369 315 A 90 PHE H A 89 LEU H 1.0 1.8 4.0 370 316 A 90 PHE H A 89 LEU HA 1.0 1.8 5.5 371 317 A 90 PHE H A 89 LEU H 1.0 1.8 4.0 372 318 A 90 PHE H A 90 PHE HA 1.0 1.8 5.5 373 319 A 90 PHE H A 90 PHE HBx 1.0 1.8 5.5 374 320 A 90 PHE H A 90 PHE HBy 1.0 1.8 5.5 375 321 A 90 PHE H A 91 ASP H 1.0 1.8 5.5 376 322 A 90 PHE HA A 91 ASP H 1.0 1.8 3.0 377 323 A 90 PHE HBy A 91 ASP H 1.0 1.8 4.0 378 324 A 90 PHE H A 91 ASP H 1.0 1.8 4.0 379 325 A 91 ASP H A 91 ASP HA 1.0 1.8 4.0 380 326 A 91 ASP H A 91 ASP HBx 1.0 1.8 4.0 381 327 A 91 ASP H A 91 ASP HBy 1.0 1.8 4.0 382 328 A 91 ASP H A 92 MET HBy 1.0 1.8 5.5 383 329 A 91 ASP H A 92 MET H 1.0 1.8 5.5 384 330 A 91 ASP HA A 92 MET H 1.0 1.8 5.5 385 331 A 91 ASP HA A 92 MET H 1.0 1.8 5.5 386 332 A 91 ASP HBx A 92 MET H 1.0 1.8 5.5 387 333 A 92 MET H A 92 MET HA 1.0 1.8 5.5 388 334 A 92 MET H A 92 MET HA 1.0 1.8 5.5 389 335 A 92 MET H A 92 MET HBx 1.0 1.8 5.5 390 336 A 92 MET H A 92 MET HBx 1.0 1.8 5.5 391 337 A 92 MET HBy A 92 MET H 1.0 1.8 5.5 392 338 A 92 MET HBy A 92 MET H 1.0 1.8 4.0 393 339 A 92 MET HA A 93 ASN H 1.0 1.8 5.5 394 340 A 93 ASN H A 93 ASN HA 1.0 1.8 4.0 395 341 A 93 ASN H A 93 ASN HB2 1.0 1.8 3.0 396 341 A 93 ASN H A 93 ASN HB3 1.0 1.8 3.0 397 342 A 93 ASN H A 94 ASN H 1.0 1.8 4.0 398 343 A 91 ASP H A 94 ASN H 1.0 1.8 4.0 399 344 A 92 MET HA A 94 ASN H 1.0 1.8 4.0 400 345 A 93 ASN HA A 94 ASN H 1.0 1.8 4.0 401 346 A 93 ASN H A 94 ASN H 1.0 1.8 3.0 402 347 A 94 ASN H A 94 ASN HA 1.0 1.8 4.0 403 348 A 94 ASN H A 95 MET H 1.0 1.8 3.0 404 349 A 93 ASN HA A 95 MET H 1.0 1.8 5.5 405 350 A 94 ASN HA A 95 MET H 1.0 1.8 5.5 406 351 A 94 ASN H A 95 MET H 1.0 1.8 4.0 407 352 A 95 MET H A 95 MET HA 1.0 1.8 4.0 408 353 A 95 MET H A 95 MET HB2 1.0 1.8 4.0 409 353 A 95 MET H A 95 MET HB3 1.0 1.8 4.0 410 354 A 95 MET H A 95 MET HG2 1.0 1.8 4.0 411 354 A 95 MET H A 95 MET HG3 1.0 1.8 4.0 412 355 A 95 MET HA A 96 ASP H 1.0 1.8 4.0 413 356 A 96 ASP H A 95 MET HB2 1.0 1.8 4.0 414 356 A 95 MET HB3 A 96 ASP H 1.0 1.8 4.0 415 357 A 95 MET H A 96 ASP H 1.0 1.8 5.5 416 358 A 96 ASP H A 96 ASP HA 1.0 1.8 4.0 417 359 A 96 ASP H A 96 ASP HB2 1.0 1.8 4.0 418 359 A 96 ASP H A 96 ASP HB3 1.0 1.8 4.0 419 360 A 96 ASP HA A 97 LEU H 1.0 1.8 4.0 420 361 A 97 LEU H A 96 ASP HB2 1.0 1.8 4.0 421 361 A 96 ASP HB3 A 97 LEU H 1.0 1.8 4.0 422 362 A 96 ASP H A 97 LEU H 1.0 1.8 5.5 423 363 A 97 LEU H A 97 LEU HA 1.0 1.8 4.0 424 364 A 97 LEU H A 97 LEU HB2 1.0 1.8 4.0 425 364 A 97 LEU H A 97 LEU HB3 1.0 1.8 4.0 426 365 A 99 LYS H A 99 LYS HA 1.0 1.8 4.0 427 366 A 99 LYS H A 99 LYS HB2 1.0 1.8 4.0 428 366 A 99 LYS H A 99 LYS HB3 1.0 1.8 4.0 429 367 A 99 LYS HA A 100 GLN H 1.0 1.8 5.5 430 368 A 100 GLN H A 99 LYS HB2 1.0 1.8 3.0 431 368 A 99 LYS HB3 A 100 GLN H 1.0 1.8 3.0 432 369 A 100 GLN H A 100 GLN HA 1.0 1.8 4.0 433 370 A 100 GLN H A 100 GLN HB2 1.0 1.8 3.0 434 370 A 100 GLN H A 100 GLN HB3 1.0 1.8 3.0 435 371 A 100 GLN H A 101 ALA HB% 1.0 1.8 5.5 436 372 A 100 GLN H A 101 ALA H 1.0 1.8 4.0 437 373 A 100 GLN H A 102 LEU H 1.0 1.8 4.0 438 374 A 100 GLN HA A 101 ALA H 1.0 1.8 5.5 439 375 A 101 ALA H A 100 GLN HB2 1.0 1.8 5.5 440 375 A 100 GLN HB3 A 101 ALA H 1.0 1.8 5.5 441 376 A 100 GLN H A 101 ALA H 1.0 1.8 4.0 442 377 A 101 ALA H A 101 ALA HA 1.0 1.8 5.5 443 378 A 101 ALA HB% A 101 ALA H 1.0 1.8 4.0 444 379 A 101 ALA H A 102 LEU H 1.0 1.8 4.0 445 380 A 100 GLN HA A 102 LEU H 1.0 1.8 5.5 446 381 A 102 LEU H A 101 ALA HA 1.0 1.8 4.0 447 382 A 101 ALA HB% A 102 LEU H 1.0 1.8 5.5 448 383 A 102 LEU H A 102 LEU HA 1.0 1.8 5.5 449 384 A 102 LEU H A 103 LEU H 1.0 1.8 5.5 450 385 A 100 GLN H A 103 LEU H 1.0 1.8 5.5 451 386 A 102 LEU HA A 103 LEU H 1.0 1.8 5.5 452 387 A 103 LEU H A 102 LEU HB2 1.0 1.8 5.5 453 387 A 103 LEU H A 102 LEU HB3 1.0 1.8 5.5 454 388 A 103 LEU H A 103 LEU HDx% 1.0 1.8 5.5 455 389 A 103 LEU H A 103 LEU HG 1.0 1.8 4.0 456 390 A 106 HIS H A 105 LEU HA 1.0 1.8 4.0 457 391 A 106 HIS H A 105 LEU HB2 1.0 1.8 5.5 458 391 A 106 HIS H A 105 LEU HB3 1.0 1.8 5.5 459 392 A 106 HIS H A 106 HIS HA 1.0 1.8 5.5 460 393 A 106 HIS H A 106 HIS HBy 1.0 1.8 5.5 461 394 A 106 HIS HA A 108 ASP H 1.0 1.8 5.5 462 395 A 108 ASP H A 109 LEU H 1.0 1.8 5.5 463 396 A 109 LEU H A 109 LEU HB2 1.0 1.8 4.0 464 396 A 109 LEU H A 109 LEU HB3 1.0 1.8 4.0 465 397 A 109 LEU H A 109 LEU HDx% 1.0 1.8 5.5 466 398 A 106 HIS HA A 110 HIS H 1.0 1.8 5.5 467 399 A 110 HIS H A 110 HIS HA 1.0 1.8 5.5 468 400 A 109 LEU H A 111 GLU H 1.0 1.8 5.5 469 401 A 111 GLU H A 111 GLU HA 1.0 1.8 4.0 470 402 A 111 GLU H A 111 GLU HBx 1.0 1.8 4.0 471 402 A 111 GLU H A 111 GLU HBy 1.0 1.8 4.0 472 403 A 111 GLU HA A 112 TYR H 1.0 1.8 4.0 473 404 A 112 TYR H A 111 GLU HBx 1.0 1.8 4.0 474 404 A 111 GLU HBy A 112 TYR H 1.0 1.8 4.0 475 405 A 112 TYR H A 112 TYR HA 1.0 1.8 4.0 476 406 A 112 TYR H A 112 TYR HBx 1.0 1.8 4.0 477 407 A 112 TYR H A 112 TYR HBy 1.0 1.8 4.0 478 408 A 112 TYR H A 113 VAL HGx% 1.0 1.8 3.0 479 409 A 112 TYR H A 113 VAL H 1.0 1.8 3.0 480 410 A 112 TYR HA A 113 VAL H 1.0 1.8 5.5 481 411 A 112 TYR HBy A 113 VAL H 1.0 1.8 5.5 482 412 A 112 TYR H A 113 VAL H 1.0 1.8 4.0 483 413 A 113 VAL H A 113 VAL HA 1.0 1.8 5.5 484 414 A 113 VAL H A 113 VAL HB 1.0 1.8 4.0 485 415 A 113 VAL HGx% A 113 VAL H 1.0 1.8 4.0 486 416 A 113 VAL H A 114 GLU H 1.0 1.8 5.5 487 417 A 112 TYR H A 114 GLU H 1.0 1.8 5.5 488 418 A 113 VAL HA A 114 GLU H 1.0 1.8 3.0 489 419 A 113 VAL HGx% A 114 GLU H 1.0 1.8 4.0 490 420 A 113 VAL H A 114 GLU H 1.0 1.8 5.5 491 421 A 114 GLU H A 114 GLU HA 1.0 1.8 4.0 492 422 A 114 GLU H A 114 GLU HBx 1.0 1.8 4.0 493 423 A 114 GLU H A 114 GLU HBy 1.0 1.8 3.0 494 424 A 123 HIS H A 123 HIS HA 1.0 1.8 5.5 495 425 A 123 HIS H A 123 HIS HBx 1.0 1.8 5.5 496 426 A 125 TYR H A 125 TYR HA 1.0 1.8 5.5 497 427 A 125 TYR H A 125 TYR HB2 1.0 1.8 5.5 498 427 A 125 TYR H A 125 TYR HB3 1.0 1.8 5.5 499 428 A 127 ALA H A 127 ALA HA 1.0 1.8 5.5 500 429 A 127 ALA H A 127 ALA HB% 1.0 1.8 5.5 501 430 A 128 ASP H A 128 ASP HB2 1.0 1.8 4.0 502 430 A 128 ASP H A 128 ASP HB3 1.0 1.8 4.0 503 431 A 129 TYR H A 129 TYR HA 1.0 1.8 3.0 504 432 A 129 TYR H A 129 TYR HB2 1.0 1.8 3.0 505 432 A 129 TYR H A 129 TYR HB3 1.0 1.8 3.0 506 433 A 130 ILE H A 130 ILE HA 1.0 1.8 5.5 507 434 A 131 LYS H A 131 LYS HA 1.0 1.8 5.5 508 435 A 131 LYS H A 131 LYS HB2 1.0 1.8 5.5 509 435 A 131 LYS H A 131 LYS HB3 1.0 1.8 5.5 510 436 A 132 GLU H A 132 GLU HA 1.0 1.8 4.0 511 437 A 134 ASP H A 134 ASP HA 1.0 1.8 5.5 512 438 A 134 ASP H A 134 ASP HB2 1.0 1.8 5.5 513 438 A 134 ASP H A 134 ASP HB3 1.0 1.8 5.5 514 439 A 135 SER H A 135 SER HA 1.0 1.8 5.5 515 440 A 137 TYR H A 137 TYR HA 1.0 1.8 5.5 516 441 A 143 LYS H A 143 LYS HA 1.0 1.8 5.5 517 442 A 143 LYS H A 143 LYS HB2 1.0 1.8 5.5 518 442 A 143 LYS H A 143 LYS HB3 1.0 1.8 5.5 519 443 A 147 LYS H A 147 LYS HB2 1.0 1.8 5.5 520 443 A 147 LYS H A 147 LYS HB3 1.0 1.8 5.5 521 444 A 148 ALA H A 148 ALA HA 1.0 1.8 5.5 522 445 A 5 LYS HA A 5 LYS HBy 1.0 1.8 4.0 523 446 A 5 LYS HA A 5 LYS HBy 1.0 1.8 4.0 524 447 A 5 LYS HA A 5 LYS HBx 1.0 1.8 3.0 525 448 A 5 LYS HA A 5 LYS HBx 1.0 1.8 3.0 526 449 A 5 LYS HA A 5 LYS H 1.0 1.8 5.5 527 450 A 5 LYS HA A 5 LYS H 1.0 1.8 5.5 528 451 A 5 LYS HA A 5 LYS HBx 1.0 1.8 4.0 529 452 A 5 LYS HA A 5 LYS HBx 1.0 1.8 4.0 530 453 A 6 ILE HA A 6 ILE HB 1.0 1.8 3.0 531 454 A 6 ILE HA A 6 ILE HB 1.0 1.8 3.0 532 455 A 6 ILE H A 6 ILE HA 1.0 1.8 5.5 533 456 A 6 ILE H A 6 ILE HA 1.0 1.8 5.5 534 457 A 6 ILE HA A 7 LEU H 1.0 1.8 4.0 535 458 A 6 ILE HA A 7 LEU H 1.0 1.8 4.0 536 459 A 6 ILE HA A 6 ILE HB 1.0 1.8 3.0 537 460 A 6 ILE HA A 6 ILE HB 1.0 1.8 3.0 538 461 A 6 ILE H A 6 ILE HB 1.0 1.8 4.0 539 462 A 6 ILE H A 6 ILE HB 1.0 1.8 4.0 540 463 A 6 ILE HB A 7 LEU H 1.0 1.8 4.0 541 464 A 6 ILE HB A 7 LEU H 1.0 1.8 4.0 542 465 A 7 LEU HA A 7 LEU HBx 1.0 1.8 5.5 543 466 A 7 LEU HA A 7 LEU HBx 1.0 1.8 5.5 544 467 A 7 LEU HA A 7 LEU HBy 1.0 1.8 4.0 545 468 A 7 LEU HA A 7 LEU HBy 1.0 1.8 4.0 546 469 A 7 LEU H A 7 LEU HA 1.0 1.8 4.0 547 470 A 7 LEU H A 7 LEU HA 1.0 1.8 4.0 548 471 A 8 LEU H A 7 LEU HA 1.0 1.8 5.5 549 472 A 8 LEU H A 7 LEU HA 1.0 1.8 5.5 550 473 A 7 LEU HA A 7 LEU HBx 1.0 2.8 6.0 551 474 A 7 LEU HA A 7 LEU HBx 1.0 2.8 6.0 552 475 A 7 LEU HA A 7 LEU HBy 1.0 1.8 4.0 553 476 A 7 LEU HA A 7 LEU HBy 1.0 1.8 4.0 554 477 A 7 LEU HBx A 7 LEU HBy 1.0 1.8 5.5 555 478 A 7 LEU HBx A 7 LEU HBy 1.0 1.8 5.5 556 479 A 7 LEU HBx A 7 LEU HBy 1.0 1.8 5.5 557 480 A 7 LEU HBx A 7 LEU HBy 1.0 1.8 5.5 558 481 A 7 LEU H A 7 LEU HBx 1.0 1.8 5.5 559 482 A 7 LEU H A 7 LEU HBx 1.0 1.8 5.5 560 483 A 7 LEU H A 7 LEU HBy 1.0 1.8 4.0 561 484 A 7 LEU H A 7 LEU HBy 1.0 1.8 4.0 562 485 A 8 LEU H A 9 ASN HA 1.0 1.8 5.5 563 486 A 8 LEU H A 9 ASN HA 1.0 1.8 5.5 564 487 A 9 ASN HA A 9 ASN HB2 1.0 1.8 4.0 565 487 A 9 ASN HA A 9 ASN HB3 1.0 1.8 4.0 566 488 A 9 ASN HA A 9 ASN HB2 1.0 1.8 4.0 567 488 A 9 ASN HA A 9 ASN HB3 1.0 1.8 4.0 568 489 A 14 VAL HA A 14 VAL HB 1.0 1.8 5.5 569 490 A 14 VAL HA A 14 VAL HB 1.0 1.8 4.0 570 491 A 16 GLN HA A 16 GLN HB2 1.0 1.8 3.0 571 491 A 16 GLN HA A 16 GLN HB3 1.0 1.8 3.0 572 492 A 16 GLN H A 16 GLN HA 1.0 1.8 5.5 573 493 A 16 GLN HA A 17 TYR H 1.0 1.8 5.5 574 494 A 16 GLN HA A 16 GLN HB2 1.0 1.8 4.0 575 494 A 16 GLN HA A 16 GLN HB3 1.0 1.8 4.0 576 495 A 16 GLN H A 16 GLN HB2 1.0 2.8 6.0 577 495 A 16 GLN H A 16 GLN HB3 1.0 2.8 6.0 578 496 A 20 ASN HBx A 20 ASN HA 1.0 1.8 5.5 579 497 A 20 ASN HBy A 20 ASN HA 1.0 1.8 5.5 580 498 A 20 ASN HBy A 20 ASN HBx 1.0 1.8 3.0 581 499 A 21 LEU HA A 21 LEU HBx 1.0 1.8 5.5 582 500 A 21 LEU HA A 21 LEU HBy 1.0 2.8 6.0 583 501 A 21 LEU H A 21 LEU HA 1.0 2.8 6.0 584 502 A 21 LEU HA A 21 LEU HBx 1.0 1.8 5.5 585 503 A 21 LEU HBx A 21 LEU HBy 1.0 1.8 4.0 586 504 A 21 LEU H A 21 LEU HBx 1.0 1.8 5.5 587 505 A 22 LYS HA A 22 LYS HB2 1.0 1.8 3.0 588 505 A 22 LYS HA A 22 LYS HB3 1.0 1.8 3.0 589 506 A 22 LYS H A 22 LYS HA 1.0 1.8 5.5 590 507 A 22 LYS HA A 22 LYS HB2 1.0 1.8 3.0 591 507 A 22 LYS HA A 22 LYS HB3 1.0 1.8 3.0 592 508 A 22 LYS H A 22 LYS HB2 1.0 1.8 4.0 593 508 A 22 LYS H A 22 LYS HB3 1.0 1.8 4.0 594 509 A 23 ASN HA A 23 ASN HBx 1.0 1.8 4.0 595 510 A 23 ASN HA A 23 ASN HBy 1.0 1.8 5.5 596 511 A 23 ASN HBx A 23 ASN HBy 1.0 1.8 4.0 597 512 A 23 ASN H A 23 ASN HBx 1.0 1.8 4.0 598 513 A 23 ASN H A 23 ASN HBy 1.0 1.8 4.0 599 514 A 24 ASN HA A 24 ASN HB2 1.0 1.8 4.0 600 514 A 24 ASN HA A 24 ASN HB3 1.0 1.8 4.0 601 515 A 24 ASN H A 24 ASN HA 1.0 1.8 5.5 602 516 A 24 ASN HA A 24 ASN HB2 1.0 1.8 3.0 603 516 A 24 ASN HA A 24 ASN HB3 1.0 1.8 3.0 604 517 A 24 ASN H A 24 ASN HB2 1.0 1.8 4.0 605 517 A 24 ASN H A 24 ASN HB3 1.0 1.8 4.0 606 518 A 25 HIS HA A 25 HIS HBy 1.0 2.8 6.0 607 519 A 25 HIS HA A 25 HIS H 1.0 1.8 5.5 608 520 A 25 HIS HA A 25 HIS HBy 1.0 1.8 5.5 609 521 A 25 HIS HA A 25 HIS HBx 1.0 1.8 4.0 610 522 A 25 HIS HBy A 25 HIS HBx 1.0 1.8 3.0 611 523 A 25 HIS HBy A 25 HIS HBx 1.0 1.8 3.0 612 524 A 25 HIS HBy A 25 HIS H 1.0 2.8 6.0 613 525 A 25 HIS H A 25 HIS HBx 1.0 1.8 5.5 614 526 A 27 SER HA A 27 SER HB2 1.0 1.8 4.0 615 526 A 27 SER HA A 27 SER HB3 1.0 1.8 4.0 616 527 A 28 LYS HA A 87 PRO HA 1.0 2.8 6.0 617 528 A 28 LYS HA A 28 LYS HB2 1.0 1.8 5.5 618 528 A 28 LYS HB3 A 28 LYS HA 1.0 1.8 5.5 619 529 A 29 GLN HA A 29 GLN HBy 1.0 1.8 5.5 620 530 A 29 GLN HA A 29 GLN HBx 1.0 1.8 5.5 621 531 A 29 GLN HA A 29 GLN HBy 1.0 1.8 4.0 622 532 A 29 GLN HBx A 29 GLN HBy 1.0 1.8 5.5 623 533 A 29 GLN HBx A 29 GLN HBy 1.0 1.8 4.0 624 534 A 29 GLN H A 29 GLN HBx 1.0 1.8 5.5 625 535 A 29 GLN H A 29 GLN HBy 1.0 2.8 6.0 626 536 A 29 GLN HBy A 98 LEU HDx% 1.0 2.8 6.0 627 537 A 30 GLU HA A 30 GLU HB2 1.0 1.8 4.0 628 537 A 30 GLU HA A 30 GLU HB3 1.0 1.8 4.0 629 538 A 30 GLU H A 30 GLU HA 1.0 1.8 5.5 630 539 A 29 GLN HA A 30 GLU HB2 1.0 1.8 4.0 631 539 A 29 GLN HA A 30 GLU HB3 1.0 1.8 4.0 632 540 A 30 GLU HA A 30 GLU HB2 1.0 1.8 4.0 633 540 A 30 GLU HA A 30 GLU HB3 1.0 1.8 4.0 634 541 A 30 GLU H A 30 GLU HB2 1.0 2.8 6.0 635 541 A 30 GLU H A 30 GLU HB3 1.0 2.8 6.0 636 542 A 33 LEU HA A 33 LEU HBx 1.0 1.8 4.0 637 543 A 33 LEU HBy A 33 LEU HA 1.0 1.8 5.5 638 544 A 33 LEU HA A 105 LEU HB2 1.0 1.8 5.5 639 544 A 105 LEU HB3 A 33 LEU HA 1.0 1.8 5.5 640 545 A 33 LEU HA A 105 LEU HDx% 1.0 1.8 4.0 641 546 A 33 LEU HA A 33 LEU HBx 1.0 1.8 5.5 642 547 A 33 LEU HBy A 33 LEU HA 1.0 1.8 4.0 643 548 A 33 LEU HBy A 33 LEU HBx 1.0 1.8 4.0 644 549 A 33 LEU HBy A 33 LEU HBx 1.0 1.8 4.0 645 550 A 34 VAL HA A 34 VAL HB 1.0 1.8 5.5 646 551 A 34 VAL HA A 34 VAL HGx% 1.0 1.8 4.0 647 552 A 34 VAL H A 34 VAL HA 1.0 1.8 5.5 648 553 A 34 VAL HA A 35 LEU HBy 1.0 1.8 4.0 649 554 A 34 VAL HA A 34 VAL HB 1.0 1.8 5.5 650 555 A 34 VAL HB A 34 VAL HGx% 1.0 1.8 4.0 651 556 A 34 VAL H A 34 VAL HB 1.0 2.8 6.0 652 557 A 34 VAL HB A 35 LEU H 1.0 1.8 5.5 653 558 A 34 VAL HB A 109 LEU HDx% 1.0 1.8 5.5 654 559 A 34 VAL HGx% A 35 LEU HA 1.0 1.8 4.0 655 560 A 35 LEU HA A 35 LEU HBx 1.0 1.8 3.0 656 561 A 35 LEU HA A 35 LEU HBy 1.0 1.8 4.0 657 562 A 35 LEU HA A 35 LEU HDx% 1.0 1.8 4.0 658 563 A 35 LEU H A 35 LEU HA 1.0 1.8 4.0 659 564 A 35 LEU HA A 35 LEU HBx 1.0 2.8 6.0 660 565 A 35 LEU HA A 35 LEU HBy 1.0 2.8 6.0 661 566 A 35 LEU HBx A 35 LEU HBy 1.0 1.8 4.0 662 567 A 35 LEU HBx A 35 LEU HG 1.0 1.8 4.0 663 568 A 35 LEU H A 35 LEU HBx 1.0 1.8 5.5 664 569 A 35 LEU H A 35 LEU HBy 1.0 1.8 5.5 665 570 A 37 GLY H A 37 GLY HA2 1.0 1.8 5.5 666 570 A 37 GLY H A 37 GLY HA3 1.0 1.8 5.5 667 571 A 38 GLU HA A 38 GLU HB2 1.0 1.8 3.0 668 571 A 38 GLU HB3 A 38 GLU HA 1.0 1.8 3.0 669 572 A 38 GLU H A 38 GLU HA 1.0 1.8 5.5 670 573 A 38 GLU HA A 38 GLU HB2 1.0 1.8 4.0 671 573 A 38 GLU HB3 A 38 GLU HA 1.0 1.8 4.0 672 574 A 38 GLU H A 38 GLU HB2 1.0 1.8 5.5 673 574 A 38 GLU HB3 A 38 GLU H 1.0 1.8 5.5 674 575 A 39 LEU H A 38 GLU HB2 1.0 1.8 5.5 675 575 A 38 GLU HB3 A 39 LEU H 1.0 1.8 5.5 676 576 A 39 LEU HA A 39 LEU HB2 1.0 1.8 5.5 677 576 A 39 LEU HA A 39 LEU HB3 1.0 1.8 5.5 678 577 A 39 LEU H A 39 LEU HA 1.0 1.8 5.5 679 578 A 39 LEU HA A 39 LEU HB2 1.0 1.8 5.5 680 578 A 39 LEU HA A 39 LEU HB3 1.0 1.8 5.5 681 579 A 39 LEU H A 39 LEU HB2 1.0 1.8 5.5 682 579 A 39 LEU H A 39 LEU HB3 1.0 1.8 5.5 683 580 A 41 LEU HA A 41 LEU HB2 1.0 1.8 5.5 684 580 A 41 LEU HB3 A 41 LEU HA 1.0 1.8 5.5 685 581 A 41 LEU HDx% A 41 LEU HA 1.0 1.8 4.0 686 582 A 41 LEU HDx% A 41 LEU HB2 1.0 1.8 4.0 687 582 A 41 LEU HB3 A 41 LEU HDx% 1.0 1.8 4.0 688 583 A 45 ASN HA A 45 ASN HB2 1.0 1.8 4.0 689 583 A 45 ASN HB3 A 45 ASN HA 1.0 1.8 4.0 690 584 A 45 ASN H A 45 ASN HA 1.0 1.8 5.5 691 585 A 45 ASN HA A 48 ASN HB2 1.0 1.8 4.0 692 585 A 48 ASN HB3 A 45 ASN HA 1.0 1.8 4.0 693 586 A 45 ASN HA A 45 ASN HB2 1.0 1.8 4.0 694 586 A 45 ASN HB3 A 45 ASN HA 1.0 1.8 4.0 695 587 A 45 ASN H A 45 ASN HB2 1.0 1.8 4.0 696 587 A 45 ASN H A 45 ASN HB3 1.0 1.8 4.0 697 588 A 46 MET HBx A 46 MET HBy 1.0 1.8 4.0 698 589 A 46 MET HBx A 46 MET HBy 1.0 1.8 3.0 699 590 A 46 MET HBy A 47 LYS HA 1.0 1.8 5.5 700 591 A 47 LYS HA A 47 LYS HB2 1.0 1.8 4.0 701 591 A 47 LYS HB3 A 47 LYS HA 1.0 1.8 4.0 702 592 A 47 LYS HA A 47 LYS HG2 1.0 1.8 4.0 703 592 A 47 LYS HA A 47 LYS HG3 1.0 1.8 4.0 704 593 A 47 LYS H A 47 LYS HA 1.0 1.8 5.5 705 594 A 49 VAL HGy% A 47 LYS HA 1.0 1.8 5.5 706 595 A 47 LYS HA A 47 LYS HB2 1.0 1.8 4.0 707 595 A 47 LYS HB3 A 47 LYS HA 1.0 1.8 4.0 708 596 A 47 LYS HB3 A 47 LYS HE2 1.0 1.8 5.5 709 596 A 47 LYS HB2 A 47 LYS HE2 1.0 1.8 5.5 710 596 A 47 LYS HE3 A 47 LYS HB2 1.0 1.8 5.5 711 596 A 47 LYS HB3 A 47 LYS HE3 1.0 1.8 5.5 712 597 A 47 LYS HB3 A 47 LYS HG2 1.0 1.8 3.0 713 597 A 47 LYS HG3 A 47 LYS HB2 1.0 1.8 3.0 714 597 A 47 LYS HB3 A 47 LYS HG3 1.0 1.8 3.0 715 597 A 47 LYS HB2 A 47 LYS HG2 1.0 1.8 3.0 716 598 A 47 LYS H A 47 LYS HB2 1.0 1.8 5.5 717 598 A 47 LYS H A 47 LYS HB3 1.0 1.8 5.5 718 599 A 45 ASN HA A 48 ASN HB2 1.0 1.8 3.0 719 599 A 48 ASN HB3 A 45 ASN HA 1.0 1.8 3.0 720 600 A 47 LYS HG2 A 48 ASN HB2 1.0 1.8 5.5 721 600 A 47 LYS HG3 A 48 ASN HB2 1.0 1.8 5.5 722 600 A 48 ASN HB3 A 47 LYS HG2 1.0 1.8 5.5 723 600 A 48 ASN HB3 A 47 LYS HG3 1.0 1.8 5.5 724 601 A 48 ASN H A 48 ASN HB2 1.0 1.8 4.0 725 601 A 48 ASN H A 48 ASN HB3 1.0 1.8 4.0 726 602 A 49 VAL HGx% A 48 ASN HB2 1.0 1.8 5.5 727 602 A 48 ASN HB3 A 49 VAL HGx% 1.0 1.8 5.5 728 603 A 49 VAL HA A 49 VAL HB 1.0 1.8 5.5 729 604 A 49 VAL HA A 49 VAL HGx% 1.0 1.8 4.0 730 605 A 49 VAL HA A 49 VAL HGy% 1.0 1.8 4.0 731 606 A 49 VAL H A 49 VAL HA 1.0 1.8 5.5 732 607 A 49 VAL HA A 52 ASN HB2 1.0 1.8 4.0 733 607 A 49 VAL HA A 52 ASN HB3 1.0 1.8 4.0 734 608 A 49 VAL HA A 49 VAL HB 1.0 1.8 4.0 735 609 A 49 VAL HB A 49 VAL HGx% 1.0 1.8 4.0 736 610 A 49 VAL HB A 49 VAL HGy% 1.0 1.8 4.0 737 611 A 49 VAL H A 49 VAL HB 1.0 1.8 4.0 738 612 A 49 VAL HA A 49 VAL HGx% 1.0 1.8 5.5 739 613 A 49 VAL HB A 49 VAL HGx% 1.0 1.8 3.0 740 614 A 49 VAL HGx% A 86 ILE HA 1.0 2.3 6.0 741 615 A 49 VAL HGx% A 86 ILE HB 1.0 2.8 6.5 742 616 A 49 VAL HGx% A 86 ILE HG2% 1.0 2.8 6.0 743 617 A 50 ILE HA A 50 ILE HB 1.0 1.8 3.0 744 618 A 50 ILE HA A 50 ILE HG12 1.0 1.8 3.0 745 618 A 50 ILE HA A 50 ILE HG13 1.0 1.8 3.0 746 619 A 50 ILE H A 50 ILE HA 1.0 1.8 4.0 747 620 A 50 ILE HA A 53 ALA HB% 1.0 1.8 3.0 748 621 A 50 ILE HA A 50 ILE HB 1.0 1.8 3.0 749 622 A 50 ILE HB A 50 ILE HG12 1.0 1.8 5.5 750 622 A 50 ILE HB A 50 ILE HG13 1.0 1.8 5.5 751 623 A 50 ILE H A 50 ILE HB 1.0 1.8 4.0 752 624 A 52 ASN HA A 52 ASN HB2 1.0 1.8 4.0 753 624 A 52 ASN HA A 52 ASN HB3 1.0 1.8 4.0 754 625 A 52 ASN H A 52 ASN HA 1.0 1.8 4.0 755 626 A 49 VAL HA A 52 ASN HB2 1.0 1.8 4.0 756 626 A 49 VAL HA A 52 ASN HB3 1.0 1.8 4.0 757 627 A 49 VAL HB A 52 ASN HB2 1.0 1.8 5.5 758 627 A 49 VAL HB A 52 ASN HB3 1.0 1.8 5.5 759 628 A 49 VAL H A 52 ASN HB2 1.0 1.8 5.5 760 628 A 49 VAL H A 52 ASN HB3 1.0 1.8 5.5 761 629 A 52 ASN HA A 52 ASN HB2 1.0 1.8 3.0 762 629 A 52 ASN HA A 52 ASN HB3 1.0 1.8 3.0 763 630 A 52 ASN H A 52 ASN HB2 1.0 1.8 4.0 764 630 A 52 ASN H A 52 ASN HB3 1.0 1.8 4.0 765 631 A 53 ALA H A 52 ASN HB2 1.0 1.8 4.0 766 631 A 52 ASN HB3 A 53 ALA H 1.0 1.8 4.0 767 632 A 101 ALA HA A 52 ASN HB2 1.0 1.8 4.0 768 632 A 52 ASN HB3 A 101 ALA HA 1.0 1.8 4.0 769 633 A 53 ALA HA A 53 ALA HB% 1.0 1.8 5.5 770 634 A 53 ALA HA A 53 ALA HB% 1.0 1.8 4.0 771 635 A 53 ALA H A 53 ALA HB% 1.0 1.8 4.0 772 636 A 53 ALA HB% A 54 LYS H 1.0 1.8 4.0 773 637 A 53 ALA HB% A 73 TYR HBx 1.0 2.8 6.0 774 638 A 53 ALA HB% A 73 TYR HBy 1.0 1.8 5.5 775 639 A 54 LYS H A 54 LYS HA 1.0 2.8 6.0 776 640 A 51 ASN HA A 54 LYS HB2 1.0 1.8 4.0 777 640 A 54 LYS HB3 A 51 ASN HA 1.0 1.8 4.0 778 641 A 54 LYS H A 54 LYS HB2 1.0 1.8 3.0 779 641 A 54 LYS H A 54 LYS HB3 1.0 1.8 3.0 780 642 A 55 LYS H A 55 LYS HA 1.0 2.8 6.0 781 643 A 52 ASN HA A 55 LYS HB2 1.0 1.8 4.0 782 643 A 52 ASN HA A 55 LYS HB3 1.0 1.8 4.0 783 644 A 55 LYS HA A 55 LYS HB2 1.0 1.8 5.5 784 644 A 55 LYS HB3 A 55 LYS HA 1.0 1.8 5.5 785 645 A 55 LYS H A 55 LYS HB2 1.0 1.8 3.0 786 645 A 55 LYS H A 55 LYS HB3 1.0 1.8 3.0 787 646 A 56 ASN H A 56 ASN HA 1.0 2.8 6.0 788 647 A 53 ALA HA A 56 ASN HBx 1.0 1.8 5.5 789 648 A 53 ALA HA A 56 ASN HBy 1.0 1.8 4.0 790 649 A 56 ASN HBx A 56 ASN HBy 1.0 1.8 4.0 791 650 A 56 ASN HBx A 56 ASN HBy 1.0 1.8 4.0 792 651 A 56 ASN H A 56 ASN HBx 1.0 1.8 4.0 793 652 A 56 ASN H A 56 ASN HBy 1.0 1.8 4.0 794 653 A 57 LEU HA A 57 LEU HBy 1.0 1.8 4.0 795 654 A 57 LEU HA A 57 LEU HDx% 1.0 1.8 5.5 796 655 A 57 LEU HA A 57 LEU HBy 1.0 2.8 6.0 797 656 A 57 LEU HBx A 57 LEU HBy 1.0 1.8 4.0 798 657 A 57 LEU HBx A 57 LEU HBy 1.0 1.8 3.0 799 658 A 57 LEU HBx A 57 LEU HDx% 1.0 1.8 4.0 800 659 A 57 LEU HBy A 57 LEU HDx% 1.0 1.8 4.0 801 660 A 57 LEU H A 57 LEU HBx 1.0 1.8 5.5 802 661 A 57 LEU H A 57 LEU HBy 1.0 1.8 4.0 803 662 A 57 LEU HBx A 57 LEU HDx% 1.0 1.8 3.0 804 663 A 57 LEU HBy A 57 LEU HDx% 1.0 1.8 3.0 805 664 A 58 GLU HA A 58 GLU HB2 1.0 1.8 5.5 806 664 A 58 GLU HA A 58 GLU HB3 1.0 1.8 5.5 807 665 A 58 GLU HA A 58 GLU HG2 1.0 1.8 4.0 808 665 A 58 GLU HA A 58 GLU HG3 1.0 1.8 4.0 809 666 A 58 GLU H A 58 GLU HA 1.0 1.8 5.5 810 667 A 58 GLU HA A 58 GLU HB2 1.0 1.8 5.5 811 667 A 58 GLU HA A 58 GLU HB3 1.0 1.8 5.5 812 668 A 58 GLU HB2 A 58 GLU HG2 1.0 1.8 4.0 813 668 A 58 GLU HB3 A 58 GLU HG2 1.0 1.8 4.0 814 668 A 58 GLU HG3 A 58 GLU HB2 1.0 1.8 4.0 815 668 A 58 GLU HB3 A 58 GLU HG3 1.0 1.8 4.0 816 669 A 58 GLU H A 58 GLU HB2 1.0 1.8 5.5 817 669 A 58 GLU H A 58 GLU HB3 1.0 1.8 5.5 818 670 A 58 GLU HA A 58 GLU HG2 1.0 1.8 5.5 819 670 A 58 GLU HA A 58 GLU HG3 1.0 1.8 5.5 820 671 A 58 GLU HB2 A 58 GLU HG2 1.0 1.8 5.5 821 671 A 58 GLU HB3 A 58 GLU HG2 1.0 1.8 5.5 822 671 A 58 GLU HG3 A 58 GLU HB2 1.0 1.8 5.5 823 671 A 58 GLU HB3 A 58 GLU HG3 1.0 1.8 5.5 824 672 A 60 TYR HBx A 60 TYR HBy 1.0 1.8 5.5 825 673 A 60 TYR HBx A 60 TYR HBy 1.0 1.8 5.5 826 674 A 60 TYR HBx A 60 TYR HD% 1.0 1.8 5.5 827 675 A 60 TYR HBy A 60 TYR HD% 1.0 1.8 5.5 828 676 A 61 PHE H A 61 PHE HA 1.0 1.8 5.5 829 677 A 61 PHE HBx A 61 PHE HBy 1.0 1.8 5.5 830 678 A 61 PHE HBx A 61 PHE HBy 1.0 1.8 5.5 831 679 A 61 PHE HBx A 61 PHE HD% 1.0 1.8 5.5 832 680 A 61 PHE HBy A 61 PHE HD% 1.0 1.8 5.5 833 681 A 61 PHE H A 61 PHE HBx 1.0 2.8 6.0 834 682 A 61 PHE H A 61 PHE HBy 1.0 1.8 5.5 835 683 A 62 LYS HA A 62 LYS HB2 1.0 1.8 4.0 836 683 A 62 LYS HA A 62 LYS HB3 1.0 1.8 4.0 837 684 A 62 LYS H A 62 LYS HA 1.0 1.8 5.5 838 685 A 62 LYS HA A 62 LYS HB2 1.0 1.8 4.0 839 685 A 62 LYS HA A 62 LYS HB3 1.0 1.8 4.0 840 686 A 62 LYS H A 62 LYS HB2 1.0 1.8 4.0 841 686 A 62 LYS H A 62 LYS HB3 1.0 1.8 4.0 842 687 A 63 GLU HA A 63 GLU HBx 1.0 1.8 4.0 843 688 A 63 GLU HA A 63 GLU HBy 1.0 1.8 5.5 844 689 A 63 GLU H A 63 GLU HA 1.0 1.8 4.0 845 690 A 60 TYR HA A 63 GLU HBx 1.0 1.8 5.5 846 691 A 62 LYS H A 63 GLU HBx 1.0 1.8 5.5 847 692 A 63 GLU HA A 63 GLU HBx 1.0 1.8 4.0 848 693 A 63 GLU HA A 63 GLU HBy 1.0 1.8 3.0 849 694 A 63 GLU HBx A 63 GLU HBy 1.0 1.8 3.0 850 695 A 63 GLU HBx A 63 GLU HBy 1.0 1.8 3.0 851 696 A 63 GLU H A 63 GLU HBx 1.0 1.8 5.5 852 697 A 63 GLU H A 63 GLU HBy 1.0 1.8 5.5 853 698 A 63 GLU HBy A 64 HIS HA 1.0 1.8 5.5 854 699 A 64 HIS H A 63 GLU HBx 1.0 1.8 5.5 855 700 A 64 HIS H A 63 GLU HBy 1.0 1.8 5.5 856 701 A 64 HIS HA A 64 HIS HB2 1.0 1.8 4.0 857 701 A 64 HIS HB3 A 64 HIS HA 1.0 1.8 4.0 858 702 A 64 HIS H A 64 HIS HA 1.0 2.8 6.0 859 703 A 65 PHE H A 65 PHE HA 1.0 1.8 5.5 860 704 A 65 PHE HA A 65 PHE HBx 1.0 1.8 5.5 861 705 A 65 PHE HA A 65 PHE HBy 1.0 1.8 5.5 862 706 A 65 PHE HBy A 65 PHE HBx 1.0 1.8 4.0 863 707 A 65 PHE HBy A 65 PHE HBx 1.0 1.8 3.0 864 708 A 65 PHE HD% A 65 PHE HBx 1.0 1.8 5.5 865 709 A 65 PHE H A 65 PHE HBx 1.0 2.8 6.0 866 710 A 66 LYS HA A 66 LYS HB2 1.0 1.8 3.0 867 710 A 66 LYS HA A 66 LYS HB3 1.0 1.8 3.0 868 711 A 66 LYS HA A 66 LYS H 1.0 1.8 5.5 869 712 A 66 LYS HA A 66 LYS HB2 1.0 1.8 4.0 870 712 A 66 LYS HA A 66 LYS HB3 1.0 1.8 4.0 871 713 A 67 GLU HA A 67 GLU HB2 1.0 1.8 4.0 872 713 A 67 GLU HA A 67 GLU HB3 1.0 1.8 4.0 873 714 A 67 GLU HA A 67 GLU HB2 1.0 1.8 3.0 874 714 A 67 GLU HA A 67 GLU HB3 1.0 1.8 3.0 875 715 A 67 GLU H A 67 GLU HB2 1.0 1.8 5.5 876 715 A 67 GLU H A 67 GLU HB3 1.0 1.8 5.5 877 716 A 68 PHE HA A 68 PHE HB2 1.0 1.8 4.0 878 716 A 68 PHE HA A 68 PHE HB3 1.0 1.8 4.0 879 717 A 68 PHE HA A 68 PHE HD% 1.0 1.8 5.5 880 718 A 68 PHE H A 68 PHE HA 1.0 1.8 4.0 881 719 A 68 PHE HA A 68 PHE HB2 1.0 1.8 4.0 882 719 A 68 PHE HA A 68 PHE HB3 1.0 1.8 4.0 883 720 A 68 PHE HD% A 68 PHE HB2 1.0 1.8 4.0 884 720 A 68 PHE HB3 A 68 PHE HD% 1.0 1.8 4.0 885 721 A 68 PHE H A 68 PHE HB2 1.0 1.8 5.5 886 721 A 68 PHE H A 68 PHE HB3 1.0 1.8 5.5 887 722 A 92 MET HBx A 68 PHE HB2 1.0 1.8 4.0 888 722 A 68 PHE HB3 A 92 MET HBx 1.0 1.8 4.0 889 723 A 69 ASP HA A 69 ASP HB2 1.0 1.8 3.0 890 723 A 69 ASP HA A 69 ASP HB3 1.0 1.8 3.0 891 724 A 70 LYS H A 69 ASP HB2 1.0 1.8 4.0 892 724 A 69 ASP HB3 A 70 LYS H 1.0 1.8 4.0 893 725 A 70 LYS HA A 70 LYS HB2 1.0 1.8 4.0 894 725 A 70 LYS HB3 A 70 LYS HA 1.0 1.8 4.0 895 726 A 70 LYS H A 70 LYS HA 1.0 1.8 5.5 896 727 A 70 LYS HA A 70 LYS HB2 1.0 1.8 4.0 897 727 A 70 LYS HB3 A 70 LYS HA 1.0 1.8 4.0 898 728 A 70 LYS H A 70 LYS HB2 1.0 1.8 5.5 899 728 A 70 LYS H A 70 LYS HB3 1.0 1.8 5.5 900 729 A 71 ILE HA A 71 ILE HB 1.0 1.8 5.5 901 730 A 71 ILE H A 71 ILE HA 1.0 1.8 5.5 902 731 A 71 ILE H A 71 ILE HB 1.0 1.8 5.5 903 732 A 72 SER HA A 72 SER HB2 1.0 1.8 4.0 904 732 A 72 SER HA A 72 SER HB3 1.0 1.8 4.0 905 733 A 72 SER HA A 73 TYR H 1.0 1.8 5.5 906 734 A 71 ILE HG12 A 72 SER HB2 1.0 1.8 5.5 907 734 A 71 ILE HG13 A 72 SER HB2 1.0 1.8 5.5 908 734 A 72 SER HB3 A 71 ILE HG12 1.0 1.8 5.5 909 734 A 71 ILE HG13 A 72 SER HB3 1.0 1.8 5.5 910 735 A 72 SER HA A 72 SER HB2 1.0 1.8 4.0 911 735 A 72 SER HA A 72 SER HB3 1.0 1.8 4.0 912 736 A 72 SER H A 72 SER HB2 1.0 1.8 5.5 913 736 A 72 SER H A 72 SER HB3 1.0 1.8 5.5 914 737 A 73 TYR H A 72 SER HB2 1.0 1.8 5.5 915 737 A 72 SER HB3 A 73 TYR H 1.0 1.8 5.5 916 738 A 73 TYR HA A 73 TYR HBx 1.0 1.8 5.5 917 739 A 73 TYR HA A 73 TYR HBy 1.0 1.8 5.5 918 740 A 73 TYR HA A 73 TYR HD% 1.0 2.8 6.0 919 741 A 73 TYR H A 73 TYR HA 1.0 2.8 6.0 920 742 A 73 TYR HA A 74 ASP H 1.0 1.8 5.5 921 743 A 73 TYR HA A 73 TYR HBx 1.0 1.8 4.0 922 744 A 74 ASP HA A 74 ASP HB2 1.0 1.8 5.5 923 744 A 74 ASP HA A 74 ASP HB3 1.0 1.8 5.5 924 745 A 74 ASP H A 74 ASP HB2 1.0 2.8 6.0 925 745 A 74 ASP H A 74 ASP HB3 1.0 2.8 6.0 926 746 A 76 SER HA A 76 SER HB2 1.0 1.8 5.5 927 746 A 76 SER HA A 76 SER HB3 1.0 1.8 5.5 928 747 A 79 ILE H A 79 ILE HA 1.0 2.8 6.0 929 748 A 75 ILE HA A 82 LEU HA 1.0 2.8 6.0 930 749 A 82 LEU H A 82 LEU HA 1.0 2.8 6.0 931 750 A 82 LEU HA A 83 CYS HB2 1.0 2.8 6.0 932 750 A 82 LEU HA A 83 CYS HB3 1.0 2.8 6.0 933 751 A 83 CYS HA A 83 CYS HB2 1.0 1.8 4.0 934 751 A 83 CYS HA A 83 CYS HB3 1.0 1.8 4.0 935 752 A 83 CYS HA A 83 CYS H 1.0 2.8 6.0 936 753 A 83 CYS HA A 83 CYS HB2 1.0 1.8 4.0 937 753 A 83 CYS HA A 83 CYS HB3 1.0 1.8 4.0 938 754 A 84 ILE HA A 84 ILE HD1% 1.0 1.8 5.5 939 755 A 84 ILE HA A 84 ILE HG12 1.0 1.8 5.5 940 755 A 84 ILE HA A 84 ILE HG13 1.0 1.8 5.5 941 756 A 84 ILE H A 84 ILE HA 1.0 1.8 4.0 942 757 A 85 PHE H A 84 ILE HA 1.0 1.8 5.5 943 758 A 84 ILE HB A 84 ILE HD1% 1.0 1.8 3.0 944 759 A 85 PHE HA A 86 ILE H 1.0 1.8 5.5 945 760 A 49 VAL HGx% A 86 ILE HB 1.0 2.3 5.5 946 761 A 86 ILE HB A 86 ILE HG2% 1.0 1.8 5.0 947 762 A 87 PRO HA A 87 PRO HBx 1.0 1.8 4.0 948 763 A 87 PRO HA A 87 PRO HBy 1.0 1.8 5.5 949 764 A 87 PRO HBx A 87 PRO HBy 1.0 1.8 3.0 950 765 A 89 LEU HA A 89 LEU HDx% 1.0 1.8 3.0 951 766 A 89 LEU H A 89 LEU HA 1.0 2.8 6.0 952 767 A 89 LEU H A 89 LEU HA 1.0 2.8 6.0 953 768 A 90 PHE H A 89 LEU HA 1.0 1.8 5.5 954 769 A 90 PHE H A 89 LEU HA 1.0 1.8 5.5 955 770 A 89 LEU HA A 89 LEU HDx% 1.0 1.8 3.0 956 771 A 90 PHE HA A 90 PHE HBx 1.0 1.8 5.5 957 772 A 90 PHE HA A 90 PHE HD% 1.0 1.8 5.5 958 773 A 90 PHE HA A 91 ASP H 1.0 1.8 5.5 959 774 A 90 PHE HA A 90 PHE HBx 1.0 1.8 5.5 960 775 A 90 PHE H A 90 PHE HBx 1.0 1.8 4.0 961 776 A 90 PHE H A 90 PHE HBy 1.0 1.8 5.5 962 777 A 91 ASP HA A 91 ASP HBx 1.0 2.8 6.0 963 778 A 91 ASP HA A 91 ASP HBx 1.0 1.8 4.0 964 779 A 91 ASP HA A 91 ASP HBy 1.0 1.8 4.0 965 780 A 91 ASP HBx A 91 ASP HBy 1.0 1.8 3.0 966 781 A 91 ASP HBx A 92 MET H 1.0 1.8 4.0 967 782 A 92 MET HA A 92 MET HBx 1.0 1.8 3.0 968 783 A 92 MET HBy A 92 MET HA 1.0 1.8 3.0 969 784 A 92 MET H A 92 MET HA 1.0 1.8 5.5 970 785 A 92 MET HA A 92 MET HBx 1.0 1.8 4.0 971 786 A 92 MET HBy A 92 MET HA 1.0 1.8 4.0 972 787 A 92 MET HBy A 92 MET HBx 1.0 1.8 3.0 973 788 A 92 MET HBy A 92 MET HBx 1.0 1.8 3.0 974 789 A 92 MET H A 92 MET HBx 1.0 2.8 6.0 975 790 A 92 MET HBy A 92 MET H 1.0 1.8 4.0 976 791 A 93 ASN HA A 93 ASN HB2 1.0 1.8 4.0 977 791 A 93 ASN HA A 93 ASN HB3 1.0 1.8 4.0 978 792 A 93 ASN H A 93 ASN HB2 1.0 1.8 4.0 979 792 A 93 ASN H A 93 ASN HB3 1.0 1.8 4.0 980 793 A 96 ASP H A 93 ASN HB2 1.0 1.8 4.0 981 793 A 93 ASN HB3 A 96 ASP H 1.0 1.8 4.0 982 794 A 95 MET HA A 95 MET HB2 1.0 1.8 4.0 983 794 A 95 MET HA A 95 MET HB3 1.0 1.8 4.0 984 795 A 95 MET H A 95 MET HA 1.0 1.8 5.5 985 796 A 95 MET HA A 95 MET HB2 1.0 1.8 4.0 986 796 A 95 MET HA A 95 MET HB3 1.0 1.8 4.0 987 797 A 95 MET H A 95 MET HB2 1.0 1.8 4.0 988 797 A 95 MET H A 95 MET HB3 1.0 1.8 4.0 989 798 A 98 LEU HA A 98 LEU HB2 1.0 1.8 5.5 990 798 A 98 LEU HA A 98 LEU HB3 1.0 1.8 5.5 991 799 A 98 LEU HDx% A 98 LEU HA 1.0 1.8 4.0 992 800 A 101 ALA H A 98 LEU HA 1.0 2.8 6.0 993 801 A 99 LYS HA A 99 LYS HB2 1.0 1.8 4.0 994 801 A 99 LYS HA A 99 LYS HB3 1.0 1.8 4.0 995 802 A 99 LYS HA A 102 LEU HDx% 1.0 1.8 4.0 996 803 A 98 LEU HB3 A 99 LYS HB2 1.0 1.8 5.0 997 803 A 98 LEU HB2 A 99 LYS HB2 1.0 1.8 5.0 998 803 A 99 LYS HB3 A 98 LEU HB2 1.0 1.8 5.0 999 803 A 99 LYS HB3 A 98 LEU HB3 1.0 1.8 5.0 1000 804 A 99 LYS HA A 99 LYS HB2 1.0 1.8 4.0 1001 804 A 99 LYS HA A 99 LYS HB3 1.0 1.8 4.0 1002 805 A 99 LYS H A 99 LYS HB2 1.0 1.8 5.5 1003 805 A 99 LYS H A 99 LYS HB3 1.0 1.8 5.5 1004 806 A 100 GLN HA A 100 GLN HB2 1.0 1.8 4.0 1005 806 A 100 GLN HA A 100 GLN HB3 1.0 1.8 4.0 1006 807 A 100 GLN H A 100 GLN HA 1.0 1.8 5.5 1007 808 A 100 GLN HA A 101 ALA H 1.0 2.8 6.0 1008 809 A 100 GLN HA A 102 LEU H 1.0 2.8 6.0 1009 810 A 100 GLN HA A 100 GLN HB2 1.0 1.8 4.0 1010 810 A 100 GLN HA A 100 GLN HB3 1.0 1.8 4.0 1011 811 A 100 GLN H A 100 GLN HB2 1.0 1.8 4.0 1012 811 A 100 GLN H A 100 GLN HB3 1.0 1.8 4.0 1013 812 A 101 ALA HA A 31 LEU HB2 1.0 1.8 5.5 1014 812 A 31 LEU HB3 A 101 ALA HA 1.0 1.8 5.5 1015 813 A 31 LEU HDx% A 101 ALA HA 1.0 1.8 5.5 1016 814 A 101 ALA HB% A 101 ALA HA 1.0 1.8 4.0 1017 815 A 101 ALA H A 101 ALA HA 1.0 1.8 5.5 1018 816 A 31 LEU HA A 101 ALA HB% 1.0 1.8 5.5 1019 817 A 101 ALA HB% A 31 LEU HB2 1.0 1.8 4.0 1020 817 A 31 LEU HB3 A 101 ALA HB% 1.0 1.8 4.0 1021 818 A 31 LEU HDx% A 101 ALA HB% 1.0 1.8 3.0 1022 819 A 100 GLN H A 101 ALA HB% 1.0 1.8 4.0 1023 820 A 101 ALA HB% A 101 ALA HA 1.0 1.8 3.0 1024 821 A 101 ALA HB% A 101 ALA H 1.0 1.8 5.5 1025 822 A 101 ALA HB% A 102 LEU H 1.0 1.8 4.0 1026 823 A 102 LEU HA A 102 LEU HDx% 1.0 1.8 5.5 1027 824 A 98 LEU HB2 A 102 LEU HB2 1.0 1.8 5.5 1028 824 A 98 LEU HB3 A 102 LEU HB2 1.0 1.8 5.5 1029 824 A 102 LEU HB3 A 98 LEU HB2 1.0 1.8 5.5 1030 824 A 102 LEU HB3 A 98 LEU HB3 1.0 1.8 5.5 1031 825 A 102 LEU HDx% A 102 LEU HB2 1.0 1.8 4.0 1032 825 A 102 LEU HB3 A 102 LEU HDx% 1.0 1.8 4.0 1033 826 A 102 LEU H A 102 LEU HB2 1.0 1.8 5.5 1034 826 A 102 LEU H A 102 LEU HB3 1.0 1.8 5.5 1035 827 A 103 LEU H A 102 LEU HB2 1.0 2.8 6.0 1036 827 A 103 LEU H A 102 LEU HB3 1.0 2.8 6.0 1037 828 A 33 LEU HBx A 105 LEU HB2 1.0 1.8 4.0 1038 828 A 105 LEU HB3 A 33 LEU HBx 1.0 1.8 4.0 1039 829 A 33 LEU HBy A 105 LEU HB2 1.0 1.8 5.5 1040 829 A 33 LEU HBy A 105 LEU HB3 1.0 1.8 5.5 1041 830 A 34 VAL H A 105 LEU HB2 1.0 1.8 4.0 1042 830 A 34 VAL H A 105 LEU HB3 1.0 1.8 4.0 1043 831 A 84 ILE HB A 105 LEU HB2 1.0 1.8 5.5 1044 831 A 84 ILE HB A 105 LEU HB3 1.0 1.8 5.5 1045 832 A 105 LEU HA A 105 LEU HB2 1.0 1.8 4.0 1046 832 A 105 LEU HA A 105 LEU HB3 1.0 1.8 4.0 1047 833 A 105 LEU HDx% A 105 LEU HB2 1.0 1.8 5.5 1048 833 A 105 LEU HB3 A 105 LEU HDx% 1.0 1.8 5.5 1049 834 A 106 HIS HA A 106 HIS HBx 1.0 1.8 5.5 1050 835 A 106 HIS HA A 106 HIS HBy 1.0 1.8 5.5 1051 836 A 106 HIS H A 106 HIS HBx 1.0 1.8 5.5 1052 837 A 106 HIS H A 106 HIS HBy 1.0 1.8 5.5 1053 838 A 110 HIS HA A 109 LEU HB2 1.0 1.8 5.5 1054 838 A 109 LEU HB3 A 110 HIS HA 1.0 1.8 5.5 1055 839 A 110 HIS H A 110 HIS HA 1.0 1.8 5.5 1056 840 A 111 GLU HA A 111 GLU HBx 1.0 1.8 5.5 1057 840 A 111 GLU HA A 111 GLU HBy 1.0 1.8 5.5 1058 841 A 111 GLU H A 111 GLU HA 1.0 2.8 6.0 1059 842 A 111 GLU HA A 111 GLU HBx 1.0 1.8 4.0 1060 842 A 111 GLU HA A 111 GLU HBy 1.0 1.8 4.0 1061 843 A 112 TYR HA A 112 TYR HBx 1.0 1.8 5.5 1062 844 A 112 TYR HA A 112 TYR HBy 1.0 2.8 6.0 1063 845 A 112 TYR H A 112 TYR HA 1.0 2.8 6.0 1064 846 A 112 TYR HA A 113 VAL H 1.0 1.8 5.5 1065 847 A 112 TYR HA A 112 TYR HBx 1.0 1.8 5.5 1066 848 A 112 TYR HBx A 112 TYR HBy 1.0 1.8 4.0 1067 849 A 112 TYR HBx A 112 TYR HBy 1.0 1.8 4.0 1068 850 A 112 TYR HBx A 113 VAL HGx% 1.0 1.8 5.5 1069 851 A 112 TYR HBy A 113 VAL HGx% 1.0 1.8 5.5 1070 852 A 112 TYR HBx A 113 VAL H 1.0 1.8 4.0 1071 853 A 113 VAL HA A 113 VAL HB 1.0 1.8 4.0 1072 854 A 113 VAL HGx% A 113 VAL HA 1.0 1.8 4.0 1073 855 A 113 VAL H A 113 VAL HA 1.0 1.8 5.5 1074 856 A 113 VAL HA A 113 VAL HB 1.0 1.8 4.0 1075 857 A 113 VAL HGx% A 113 VAL HB 1.0 1.8 4.0 1076 858 A 113 VAL H A 113 VAL HB 1.0 1.8 4.0 1077 859 A 112 TYR H A 113 VAL HGx% 1.0 1.8 4.0 1078 860 A 113 VAL HGx% A 113 VAL HA 1.0 1.8 4.0 1079 861 A 113 VAL HGx% A 113 VAL H 1.0 1.8 4.0 1080 862 A 113 VAL HGx% A 114 GLU HA 1.0 1.8 4.0 1081 863 A 122 TYR HBy A 122 TYR HA 1.0 1.8 5.5 1082 864 A 122 TYR HBy A 122 TYR HE% 1.0 2.8 6.0 1083 865 A 125 TYR HA A 125 TYR HB2 1.0 1.8 4.0 1084 865 A 125 TYR HA A 125 TYR HB3 1.0 1.8 4.0 1085 866 A 125 TYR HA A 125 TYR HE% 1.0 1.8 5.5 1086 867 A 125 TYR H A 125 TYR HA 1.0 2.8 6.0 1087 868 A 127 ALA HA A 127 ALA HB% 1.0 1.8 3.0 1088 869 A 127 ALA H A 127 ALA HA 1.0 1.8 4.0 1089 870 A 127 ALA HA A 127 ALA HB% 1.0 1.8 3.0 1090 871 A 127 ALA H A 127 ALA HB% 1.0 2.8 6.0 1091 872 A 128 ASP HA A 128 ASP HB2 1.0 1.8 5.5 1092 872 A 128 ASP HB3 A 128 ASP HA 1.0 1.8 5.5 1093 873 A 128 ASP HA A 128 ASP HB2 1.0 1.8 4.0 1094 873 A 128 ASP HB3 A 128 ASP HA 1.0 1.8 4.0 1095 874 A 128 ASP H A 128 ASP HB2 1.0 1.8 4.0 1096 874 A 128 ASP H A 128 ASP HB3 1.0 1.8 4.0 1097 875 A 129 TYR H A 128 ASP HB2 1.0 1.8 4.0 1098 875 A 128 ASP HB3 A 129 TYR H 1.0 1.8 4.0 1099 876 A 129 TYR HA A 129 TYR HB2 1.0 1.8 5.5 1100 876 A 129 TYR HA A 129 TYR HB3 1.0 1.8 5.5 1101 877 A 129 TYR HA A 129 TYR HB2 1.0 1.8 3.0 1102 877 A 129 TYR HA A 129 TYR HB3 1.0 1.8 3.0 1103 878 A 129 TYR H A 129 TYR HB2 1.0 1.8 4.0 1104 878 A 129 TYR H A 129 TYR HB3 1.0 1.8 4.0 1105 879 A 131 LYS HA A 131 LYS HB2 1.0 1.8 3.0 1106 879 A 131 LYS HA A 131 LYS HB3 1.0 1.8 3.0 1107 880 A 131 LYS H A 131 LYS HA 1.0 1.8 4.0 1108 881 A 131 LYS HA A 131 LYS HB2 1.0 1.8 4.0 1109 881 A 131 LYS HA A 131 LYS HB3 1.0 1.8 4.0 1110 882 A 132 GLU H A 132 GLU HA 1.0 1.8 5.5 1111 883 A 133 GLN HA A 133 GLN H 1.0 1.8 4.0 1112 884 A 134 ASP HA A 134 ASP HB2 1.0 1.8 4.0 1113 884 A 134 ASP HA A 134 ASP HB3 1.0 1.8 4.0 1114 885 A 134 ASP H A 134 ASP HB2 1.0 1.8 5.5 1115 885 A 134 ASP H A 134 ASP HB3 1.0 1.8 5.5 1116 886 A 135 SER HA A 135 SER HB2 1.0 1.8 4.0 1117 886 A 135 SER HA A 135 SER HB3 1.0 1.8 4.0 1118 887 A 136 VAL HB A 136 VAL HA 1.0 1.8 5.5 1119 888 A 136 VAL HB A 136 VAL H 1.0 1.8 4.0 1120 889 A 136 VAL H A 137 TYR HB2 1.0 1.8 5.5 1121 889 A 136 VAL H A 137 TYR HB3 1.0 1.8 5.5 1122 890 A 137 TYR H A 137 TYR HB2 1.0 1.8 5.5 1123 890 A 137 TYR H A 137 TYR HB3 1.0 1.8 5.5 1124 891 A 139 ARG HA A 139 ARG HB2 1.0 1.8 5.5 1125 891 A 139 ARG HA A 139 ARG HB3 1.0 1.8 5.5 1126 892 A 139 ARG HA A 139 ARG HB2 1.0 1.8 5.5 1127 892 A 139 ARG HA A 139 ARG HB3 1.0 1.8 5.5 1128 893 A 143 LYS HA A 143 LYS HB2 1.0 1.8 4.0 1129 893 A 143 LYS HA A 143 LYS HB3 1.0 1.8 4.0 1130 894 A 143 LYS H A 143 LYS HA 1.0 1.8 5.5 1131 895 A 143 LYS HA A 143 LYS HB2 1.0 1.8 4.0 1132 895 A 143 LYS HA A 143 LYS HB3 1.0 1.8 4.0 1133 896 A 145 TYR HA A 145 TYR HB2 1.0 1.8 5.5 1134 896 A 145 TYR HA A 145 TYR HB3 1.0 1.8 5.5 1135 897 A 145 TYR HA A 145 TYR HB2 1.0 1.8 4.0 1136 897 A 145 TYR HA A 145 TYR HB3 1.0 1.8 4.0 1137 898 A 146 ILE HA A 146 ILE HB 1.0 1.8 5.5 1138 899 A 146 ILE HA A 146 ILE H 1.0 1.8 5.5 1139 900 A 146 ILE HA A 146 ILE HB 1.0 1.8 5.5 1140 901 A 146 ILE HB A 146 ILE H 1.0 2.8 6.0 1141 902 A 147 LYS HA A 147 LYS HB2 1.0 1.8 4.0 1142 902 A 147 LYS HB3 A 147 LYS HA 1.0 1.8 4.0 1143 903 A 147 LYS H A 147 LYS HA 1.0 1.8 4.0 1144 904 A 147 LYS HA A 147 LYS HB2 1.0 1.8 4.0 1145 904 A 147 LYS HB3 A 147 LYS HA 1.0 1.8 4.0 1146 905 A 147 LYS H A 147 LYS HB2 1.0 2.8 6.0 1147 905 A 147 LYS H A 147 LYS HB3 1.0 2.8 6.0 1148 906 A 73 TYR HA A 84 ILE HA 1.0 1.8 4.0 1149 907 A 73 TYR HA A 84 ILE HB 1.0 1.8 5.5 1150 908 A 73 TYR HA A 84 ILE HD1% 1.0 1.8 5.5 1151 909 A 30 GLU HA A 85 PHE HA 1.0 1.8 4.0 1152 910 A 85 PHE HA A 30 GLU HB2 1.0 1.8 5.5 1153 910 A 30 GLU HB3 A 85 PHE HA 1.0 1.8 5.5 1154 911 A 73 TYR HD% A 84 ILE HG21 1.0 1.8 5.5 1155 912 A 73 TYR H A 84 ILE HG21 1.0 1.8 5.5 1156 913 A 73 TYR HBx A 84 ILE HG21 1.0 1.8 5.5 1157 914 A 73 TYR HBy A 84 ILE HG21 1.0 1.8 5.0 1158 915 A 73 TYR HD% A 84 ILE HD1% 1.0 1.8 5.5 1159 916 A 73 TYR H A 84 ILE HD1% 1.0 1.8 5.0 1160 917 A 73 TYR HBx A 84 ILE HD1% 1.0 1.8 5.5 1161 918 A 83 CYS HA A 74 ASP H 1.0 2.3 6.0 1162 919 A 85 PHE H A 72 SER HB2 1.0 1.8 5.5 1163 919 A 72 SER HB3 A 85 PHE H 1.0 1.8 5.5 1164 920 A 48 ASN H A 45 ASN HA 1.0 1.8 5.5 1165 921 A 53 ALA HA A 56 ASN HBx 1.0 1.8 5.5 1166 922 A 53 ALA HA A 56 ASN HBy 1.0 1.8 5.5 1167 923 A 56 ASN H A 58 GLU H 1.0 1.8 5.5 1168 924 A 56 ASN HD2x A 57 LEU H 1.0 1.8 5.5 1169 925 A 58 GLU H A 60 TYR H 1.0 1.8 5.0 1170 926 A 58 GLU HA A 60 TYR HD% 1.0 1.8 5.0 1171 927 A 58 GLU H A 59 LYS H 1.0 1.8 5.0 1172 928 A 62 LYS HA A 65 PHE HBx 1.0 1.8 5.5 1173 928 A 62 LYS HA A 65 PHE HBy 1.0 1.8 5.5 1174 929 A 49 VAL HGx% A 73 TYR HBy 1.0 1.8 5.0 1175 930 A 46 MET HA A 49 VAL HGx% 1.0 1.8 5.5 1176 931 A 49 VAL HGx% A 73 TYR H 1.0 1.8 5.5 1177 932 A 49 VAL HGx% A 53 ALA HB% 1.0 1.8 5.0 1178 933 A 49 VAL HGx% A 84 ILE HB 1.0 1.8 5.5 1179 934 A 49 VAL HGx% A 73 TYR HBy 1.0 1.8 5.5 1180 935 A 46 MET HA A 49 VAL HGx% 1.0 1.8 5.0 1181 936 A 49 VAL HGx% A 72 SER HA 1.0 1.8 5.5 1182 937 A 49 VAL HGx% A 73 TYR HD% 1.0 1.8 5.5 1183 938 A 49 VAL HGx% A 73 TYR HE% 1.0 1.8 5.0 1184 939 A 49 VAL HGx% A 73 TYR H 1.0 1.8 5.5 1185 940 A 46 MET HA A 49 VAL HB 1.0 1.8 5.5 1186 941 A 49 VAL HB A 73 TYR HBx 1.0 1.8 5.5 1187 942 A 49 VAL HB A 73 TYR HBy 1.0 1.8 5.5 1188 943 A 49 VAL HB A 73 TYR HE% 1.0 1.8 5.5 1189 944 A 71 ILE HB A 86 ILE HB 1.0 1.8 5.0 1190 945 A 71 ILE HB A 86 ILE HG12 1.0 1.8 5.5 1191 945 A 71 ILE HB A 86 ILE HG13 1.0 1.8 5.5 1192 946 A 71 ILE HB A 72 SER H 1.0 1.8 5.0 1193 947 A 71 ILE HG21 A 88 THR HB 1.0 2.3 6.0 1194 948 A 71 ILE HG21 A 86 ILE HG12 1.0 1.8 5.0 1195 948 A 86 ILE HG13 A 71 ILE HG21 1.0 1.8 5.0 1196 949 A 73 TYR HBx A 71 ILE HG21 1.0 1.8 5.5 1197 950 A 73 TYR HBy A 71 ILE HG21 1.0 1.8 5.5 1198 951 A 86 ILE HA A 71 ILE HG21 1.0 1.8 5.5 1199 952 A 73 TYR HD% A 71 ILE HG21 1.0 1.8 5.0 1200 953 A 72 SER H A 71 ILE HG21 1.0 1.8 5.5 1201 954 A 73 TYR HBx A 84 ILE HB 1.0 1.8 5.5 1202 955 A 53 ALA HB% A 73 TYR HBx 1.0 1.8 5.5 1203 956 A 53 ALA HB% A 84 ILE HD1% 1.0 1.8 5.5 1204 957 A 69 ASP HA A 88 THR HG2% 1.0 1.8 5.0 1205 958 A 88 THR HG2% A 90 PHE HD% 1.0 1.8 5.0 1206 959 A 46 MET HA A 73 TYR HD% 1.0 2.8 6.0 1207 960 A 46 MET HBy A 73 TYR HD% 1.0 1.8 5.5 1208 961 A 49 VAL HA A 73 TYR HD% 1.0 2.8 6.0 1209 962 A 49 VAL HB A 73 TYR HD% 1.0 2.8 6.0 1210 963 A 49 VAL HGy% A 73 TYR HD% 1.0 1.8 4.0 1211 964 A 50 ILE HA A 73 TYR HD% 1.0 2.8 6.0 1212 965 A 72 SER HA A 73 TYR HD% 1.0 2.8 6.0 1213 966 A 73 TYR HA A 73 TYR HD% 1.0 1.8 5.5 1214 967 A 73 TYR HBx A 73 TYR HD% 1.0 1.8 4.0 1215 968 A 73 TYR HBy A 73 TYR HD% 1.0 1.8 5.5 1216 969 A 73 TYR HD% A 84 ILE HG12 1.0 1.8 5.5 1217 969 A 73 TYR HD% A 84 ILE HG13 1.0 1.8 5.5 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 48 ASN H A 44 LYS O 1.0 1.5 2.5 2 2 A 44 LYS O A 48 ASN N 1.0 2.3 3.2 3 3 A 49 VAL H A 45 ASN O 1.0 1.5 2.5 4 4 A 45 ASN O A 49 VAL N 1.0 2.3 3.2 5 5 A 50 ILE H A 46 MET O 1.0 1.5 2.5 6 6 A 46 MET O A 50 ILE N 1.0 2.3 3.2 7 7 A 47 LYS O A 51 ASN H 1.0 1.5 2.5 8 8 A 47 LYS O A 51 ASN N 1.0 2.3 3.2 9 9 A 52 ASN H A 48 ASN O 1.0 1.5 2.5 10 10 A 48 ASN O A 52 ASN N 1.0 2.3 3.2 11 11 A 53 ALA H A 49 VAL O 1.0 1.5 2.5 12 12 A 49 VAL O A 53 ALA N 1.0 2.3 3.2 13 13 A 54 LYS H A 50 ILE O 1.0 1.5 2.5 14 14 A 50 ILE O A 54 LYS N 1.0 2.3 3.2 15 15 A 55 LYS H A 51 ASN O 1.0 1.5 2.5 16 16 A 51 ASN O A 55 LYS N 1.0 2.3 3.2 17 17 A 56 ASN H A 52 ASN O 1.0 1.5 2.5 18 18 A 52 ASN O A 56 ASN N 1.0 2.3 3.2 19 19 A 57 LEU H A 53 ALA O 1.0 1.5 2.5 20 20 A 53 ALA O A 57 LEU N 1.0 2.3 3.2 21 21 A 58 GLU H A 54 LYS O 1.0 1.5 2.5 22 22 A 54 LYS O A 58 GLU N 1.0 2.3 3.2 23 23 A 59 LYS H A 55 LYS O 1.0 1.5 2.5 24 24 A 55 LYS O A 59 LYS N 1.0 2.3 3.2 25 25 A 60 TYR H A 56 ASN O 1.0 1.5 2.5 26 26 A 56 ASN O A 60 TYR N 1.0 2.3 3.2 27 27 A 61 PHE H A 57 LEU O 1.0 1.5 2.5 28 28 A 57 LEU O A 61 PHE N 1.0 2.3 3.2 29 29 A 62 LYS H A 58 GLU O 1.0 1.5 2.5 30 30 A 58 GLU O A 62 LYS N 1.0 2.3 3.2 31 31 A 63 GLU H A 59 LYS O 1.0 1.5 2.5 32 32 A 59 LYS O A 63 GLU N 1.0 2.3 3.2 33 33 A 64 HIS H A 60 TYR O 1.0 1.5 2.5 34 34 A 60 TYR O A 64 HIS N 1.0 2.3 3.2 35 35 A 102 LEU H A 98 LEU O 1.0 1.5 2.5 36 36 A 98 LEU O A 102 LEU N 1.0 2.3 3.2 37 37 A 103 LEU H A 99 LYS O 1.0 1.5 2.5 38 38 A 99 LYS O A 103 LEU N 1.0 2.3 3.2 39 39 A 100 GLN O A 104 ILE H 1.0 1.5 2.5 40 40 A 100 GLN O A 104 ILE N 1.0 2.3 3.2 41 41 A 101 ALA O A 105 LEU H 1.0 1.5 2.5 42 42 A 101 ALA O A 105 LEU N 1.0 2.3 3.2 43 43 A 106 HIS H A 102 LEU O 1.0 1.5 2.5 44 44 A 102 LEU O A 106 HIS N 1.0 2.3 3.2 45 45 A 103 LEU O A 107 ASN H 1.0 1.5 2.5 46 46 A 103 LEU O A 107 ASN N 1.0 2.3 3.2 47 47 A 108 ASP H A 104 ILE O 1.0 1.5 2.5 48 48 A 104 ILE O A 108 ASP N 1.0 2.3 3.2 49 49 A 109 LEU H A 105 LEU O 1.0 1.5 2.5 50 50 A 105 LEU O A 109 LEU N 1.0 2.3 3.2 51 51 A 110 HIS H A 106 HIS O 1.0 1.5 2.5 52 52 A 106 HIS O A 110 HIS N 1.0 2.3 3.2 53 53 A 33 LEU H A 82 LEU O 1.0 1.5 2.5 54 54 A 82 LEU O A 33 LEU N 1.0 2.3 3.2 55 55 A 82 LEU H A 33 LEU O 1.0 1.5 2.5 56 56 A 33 LEU O A 82 LEU N 1.0 2.3 3.2 57 57 A 31 LEU H A 84 ILE O 1.0 1.5 2.5 58 58 A 84 ILE O A 31 LEU N 1.0 2.3 3.2 59 59 A 84 ILE H A 31 LEU O 1.0 1.5 2.5 60 60 A 31 LEU O A 84 ILE N 1.0 2.3 3.2 61 61 A 29 GLN H A 86 ILE O 1.0 1.5 2.5 62 62 A 86 ILE O A 29 GLN N 1.0 2.3 3.2 63 63 A 86 ILE H A 29 GLN O 1.0 1.5 2.5 64 64 A 29 GLN O A 86 ILE N 1.0 2.3 3.2 65 65 A 27 SER H A 88 THR O 1.0 1.5 2.5 66 66 A 88 THR O A 27 SER N 1.0 2.3 3.2 67 67 A 88 THR H A 27 SER O 1.0 1.5 2.5 68 68 A 27 SER O A 88 THR N 1.0 2.3 3.2 69 69 A 81 PHE H A 76 SER O 1.0 1.5 2.5 70 70 A 76 SER O A 81 PHE N 1.0 2.3 3.2 71 71 A 76 SER H A 81 PHE O 1.0 1.5 2.5 72 72 A 81 PHE O A 76 SER N 1.0 2.3 3.2 73 73 A 83 CYS H A 74 ASP O 1.0 1.5 2.5 74 74 A 74 ASP O A 83 CYS N 1.0 2.3 3.2 75 75 A 74 ASP H A 83 CYS O 1.0 1.5 2.5 76 76 A 83 CYS O A 74 ASP N 1.0 2.3 3.2 77 77 A 85 PHE H A 72 SER O 1.0 1.5 2.5 78 78 A 72 SER O A 85 PHE N 1.0 2.3 3.2 79 79 A 72 SER H A 85 PHE O 1.0 1.5 2.5 80 80 A 85 PHE O A 72 SER N 1.0 2.3 3.2 81 81 A 70 LYS O A 87 PRO N 1.0 2.3 3.2 82 82 A 70 LYS H A 87 PRO O 1.0 1.5 2.5 83 83 A 87 PRO O A 70 LYS N 1.0 2.3 3.2 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 28 LYS C A 29 GLN N A 29 GLN CA A 29 GLN C 1.0 -166.0 -116.0 PHI 2 2 A 29 GLN N A 29 GLN CA A 29 GLN C A 30 GLU N 1.0 111.6 143.2 PSI 3 3 A 29 GLN C A 30 GLU N A 30 GLU CA A 30 GLU C 1.0 -135.4 -85.2 PHI 4 4 A 30 GLU N A 30 GLU CA A 30 GLU C A 31 LEU N 1.0 105.5 137.1 PSI 5 5 A 30 GLU C A 31 LEU N A 31 LEU CA A 31 LEU C 1.0 -133.5 -83.5 PHI 6 6 A 31 LEU N A 31 LEU CA A 31 LEU C A 32 ILE N 1.0 100.3 148.9 PSI 7 7 A 43 SER C A 44 LYS N A 44 LYS CA A 44 LYS C 1.0 -86.7 -36.7 PHI 8 8 A 44 LYS N A 44 LYS CA A 44 LYS C A 45 ASN N 1.0 -68.5 -3.3 PSI 9 9 A 44 LYS C A 45 ASN N A 45 ASN CA A 45 ASN C 1.0 -89.7 -39.7 PHI 10 10 A 45 ASN N A 45 ASN CA A 45 ASN C A 46 MET N 1.0 -76.1 -10.7 PSI 11 11 A 45 ASN C A 46 MET N A 46 MET CA A 46 MET C 1.0 -91.2 -41.2 PHI 12 12 A 46 MET N A 46 MET CA A 46 MET C A 47 LYS N 1.0 -68.4 -3.2 PSI 13 13 A 46 MET C A 47 LYS N A 47 LYS CA A 47 LYS C 1.0 -87.4 -37.4 PHI 14 14 A 47 LYS N A 47 LYS CA A 47 LYS C A 48 ASN N 1.0 -75.6 -10.2 PSI 15 15 A 47 LYS C A 48 ASN N A 48 ASN CA A 48 ASN C 1.0 -90.6 -40.6 PHI 16 16 A 48 ASN N A 48 ASN CA A 48 ASN C A 49 VAL N 1.0 -72.0 -6.6 PSI 17 17 A 48 ASN C A 49 VAL N A 49 VAL CA A 49 VAL C 1.0 -89.4 -39.4 PHI 18 18 A 49 VAL N A 49 VAL CA A 49 VAL C A 50 ILE N 1.0 -70.0 -4.6 PSI 19 19 A 50 ILE C A 51 ASN N A 51 ASN CA A 51 ASN C 1.0 -86.4 -36.4 PHI 20 20 A 51 ASN N A 51 ASN CA A 51 ASN C A 52 ASN N 1.0 -69.0 -3.6 PSI 21 21 A 51 ASN C A 52 ASN N A 52 ASN CA A 52 ASN C 1.0 -88.8 -38.8 PHI 22 22 A 52 ASN N A 52 ASN CA A 52 ASN C A 53 ALA N 1.0 -73.8 -8.4 PSI 23 23 A 52 ASN C A 53 ALA N A 53 ALA CA A 53 ALA C 1.0 -90.5 -40.5 PHI 24 24 A 53 ALA N A 53 ALA CA A 53 ALA C A 54 LYS N 1.0 -70.8 -5.4 PSI 25 25 A 53 ALA C A 54 LYS N A 54 LYS CA A 54 LYS C 1.0 -88.2 -38.2 PHI 26 26 A 54 LYS N A 54 LYS CA A 54 LYS C A 55 LYS N 1.0 -75.6 -10.2 PSI 27 27 A 54 LYS C A 55 LYS N A 55 LYS CA A 55 LYS C 1.0 -89.9 -39.9 PHI 28 28 A 55 LYS N A 55 LYS CA A 55 LYS C A 56 ASN N 1.0 -73.2 -8.0 PSI 29 29 A 55 LYS C A 56 ASN N A 56 ASN CA A 56 ASN C 1.0 -90.6 -40.6 PHI 30 30 A 56 ASN N A 56 ASN CA A 56 ASN C A 57 LEU N 1.0 -69.4 -4.0 PSI 31 31 A 56 ASN C A 57 LEU N A 57 LEU CA A 57 LEU C 1.0 -89.8 -39.8 PHI 32 32 A 57 LEU N A 57 LEU CA A 57 LEU C A 58 GLU N 1.0 -75.8 -10.6 PSI 33 33 A 57 LEU C A 58 GLU N A 58 GLU CA A 58 GLU C 1.0 -89.5 -39.5 PHI 34 34 A 58 GLU N A 58 GLU CA A 58 GLU C A 59 LYS N 1.0 -72.8 -7.4 PSI 35 35 A 58 GLU C A 59 LYS N A 59 LYS CA A 59 LYS C 1.0 -87.0 -37.0 PHI 36 36 A 59 LYS N A 59 LYS CA A 59 LYS C A 60 TYR N 1.0 -72.0 -6.6 PSI 37 37 A 59 LYS C A 60 TYR N A 60 TYR CA A 60 TYR C 1.0 -89.9 -39.9 PHI 38 38 A 60 TYR N A 60 TYR CA A 60 TYR C A 61 PHE N 1.0 -80.0 -14.6 PSI 39 39 A 60 TYR C A 61 PHE N A 61 PHE CA A 61 PHE C 1.0 -87.0 -37.0 PHI 40 40 A 61 PHE N A 61 PHE CA A 61 PHE C A 62 LYS N 1.0 -77.3 -11.9 PSI 41 41 A 61 PHE C A 62 LYS N A 62 LYS CA A 62 LYS C 1.0 -87.2 -37.2 PHI 42 42 A 62 LYS N A 62 LYS CA A 62 LYS C A 63 GLU N 1.0 -71.6 -6.2 PSI 43 43 A 62 LYS C A 63 GLU N A 63 GLU CA A 63 GLU C 1.0 -97.6 -47.6 PHI 44 44 A 63 GLU N A 63 GLU CA A 63 GLU C A 64 HIS N 1.0 -66.3 -0.9 PSI 45 45 A 63 GLU C A 64 HIS N A 64 HIS CA A 64 HIS C 1.0 -119.5 -69.5 PHI 46 46 A 64 HIS N A 64 HIS CA A 64 HIS C A 65 PHE N 1.0 -56.1 9.3 PSI 47 47 A 69 ASP C A 70 LYS N A 70 LYS CA A 70 LYS C 1.0 -147.5 -97.5 PHI 48 48 A 70 LYS N A 70 LYS CA A 70 LYS C A 71 ILE N 1.0 116.9 182.3 PSI 49 49 A 71 ILE C A 72 SER N A 72 SER CA A 72 SER C 1.0 -137.9 -87.9 PHI 50 50 A 72 SER N A 72 SER CA A 72 SER C A 73 TYR N 1.0 117.5 182.9 PSI 51 51 A 72 SER C A 73 TYR N A 73 TYR CA A 73 TYR C 1.0 -159.8 -109.8 PHI 52 52 A 73 TYR N A 73 TYR CA A 73 TYR C A 74 ASP N 1.0 116.7 182.1 PSI 53 53 A 73 TYR C A 74 ASP N A 74 ASP CA A 74 ASP C 1.0 -165.9 -115.9 PHI 54 54 A 74 ASP N A 74 ASP CA A 74 ASP C A 75 ILE N 1.0 103.5 168.7 PSI 55 55 A 74 ASP C A 75 ILE N A 75 ILE CA A 75 ILE C 1.0 -152.8 -102.8 PHI 56 56 A 75 ILE N A 75 ILE CA A 75 ILE C A 76 SER N 1.0 118.7 184.1 PSI 57 57 A 80 ASN C A 81 PHE N A 81 PHE CA A 81 PHE C 1.0 -136.6 -86.6 PHI 58 58 A 81 PHE N A 81 PHE CA A 81 PHE C A 82 LEU N 1.0 104.4 169.8 PSI 59 59 A 81 PHE C A 82 LEU N A 82 LEU CA A 82 LEU C 1.0 -142.4 -92.4 PHI 60 60 A 82 LEU N A 82 LEU CA A 82 LEU C A 83 CYS N 1.0 93.8 159.2 PSI 61 61 A 82 LEU C A 83 CYS N A 83 CYS CA A 83 CYS C 1.0 -131.9 -81.9 PHI 62 62 A 83 CYS N A 83 CYS CA A 83 CYS C A 84 ILE N 1.0 95.0 160.4 PSI 63 63 A 83 CYS C A 84 ILE N A 84 ILE CA A 84 ILE C 1.0 -133.5 -83.5 PHI 64 64 A 84 ILE N A 84 ILE CA A 84 ILE C A 85 PHE N 1.0 92.5 157.9 PSI 65 65 A 84 ILE C A 85 PHE N A 85 PHE CA A 85 PHE C 1.0 -129.1 -79.1 PHI 66 66 A 85 PHE N A 85 PHE CA A 85 PHE C A 86 ILE N 1.0 86.1 151.5 PSI 67 67 A 85 PHE C A 86 ILE N A 86 ILE CA A 86 ILE C 1.0 -134.0 -84.0 PHI 68 68 A 86 ILE N A 86 ILE CA A 86 ILE C A 87 PRO N 1.0 83.6 149.0 PSI 69 69 A 97 LEU C A 98 LEU N A 98 LEU CA A 98 LEU C 1.0 -87.9 -37.9 PHI 70 70 A 98 LEU N A 98 LEU CA A 98 LEU C A 99 LYS N 1.0 -75.8 -10.4 PSI 71 71 A 98 LEU C A 99 LYS N A 99 LYS CA A 99 LYS C 1.0 -85.2 -35.2 PHI 72 72 A 99 LYS N A 99 LYS CA A 99 LYS C A 100 GLN N 1.0 -76.9 -11.5 PSI 73 73 A 99 LYS C A 100 GLN N A 100 GLN CA A 100 GLN C 1.0 -86.2 -36.2 PHI 74 74 A 100 GLN N A 100 GLN CA A 100 GLN C A 101 ALA N 1.0 -70.4 -5.0 PSI 75 75 A 100 GLN C A 101 ALA N A 101 ALA CA A 101 ALA C 1.0 -89.3 -39.3 PHI 76 76 A 101 ALA N A 101 ALA CA A 101 ALA C A 102 LEU N 1.0 -73.4 -8.0 PSI 77 77 A 101 ALA C A 102 LEU N A 102 LEU CA A 102 LEU C 1.0 -94.0 -44.0 PHI 78 78 A 102 LEU N A 102 LEU CA A 102 LEU C A 103 LEU N 1.0 -69.8 -4.4 PSI 79 79 A 102 LEU C A 103 LEU N A 103 LEU CA A 103 LEU C 1.0 -120.6 -70.6 PHI 80 80 A 103 LEU N A 103 LEU CA A 103 LEU C A 104 ILE N 1.0 -46.6 18.8 PSI 81 81 A 105 LEU C A 106 HIS N A 106 HIS CA A 106 HIS C 1.0 -90.9 -40.9 PHI 82 82 A 106 HIS N A 106 HIS CA A 106 HIS C A 107 ASN N 1.0 -74.9 -9.5 PSI 83 83 A 106 HIS C A 107 ASN N A 107 ASN CA A 107 ASN C 1.0 -87.5 -37.5 PHI 84 84 A 107 ASN N A 107 ASN CA A 107 ASN C A 108 ASP N 1.0 -72.1 -6.7 PSI 85 85 A 107 ASN C A 108 ASP N A 108 ASP CA A 108 ASP C 1.0 -88.1 -38.1 PHI 86 86 A 108 ASP N A 108 ASP CA A 108 ASP C A 109 LEU N 1.0 -67.8 -2.4 PSI 87 87 A 108 ASP C A 109 LEU N A 109 LEU CA A 109 LEU C 1.0 -99.8 -49.8 PHI 88 88 A 109 LEU N A 109 LEU CA A 109 LEU C A 110 HIS N 1.0 -66.0 -0.8 PSI 89 89 A 109 LEU C A 110 HIS N A 110 HIS CA A 110 HIS C 1.0 -82.0 -32.0 PHI 90 90 A 110 HIS N A 110 HIS CA A 110 HIS C A 111 GLU N 1.0 -72.2 -7.0 PSI 91 91 A 110 HIS C A 111 GLU N A 111 GLU CA A 111 GLU C 1.0 -86.8 -36.8 PHI 92 92 A 111 GLU N A 111 GLU CA A 111 GLU C A 112 TYR N 1.0 -64.3 1.1 PSI stop_ save_