data_nef_c15206_2jow 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 MET start . . 2 A 2 ALA middle . . 3 A 3 THR middle . . 4 A 4 PRO middle . false 5 A 5 TRP middle . . 6 A 6 SER middle . . 7 A 7 GLY middle . false 8 A 8 TYR middle . . 9 A 9 LEU middle . . 10 A 10 ASP middle . . 11 A 11 ASP middle . . 12 A 12 VAL middle . . 13 A 13 SER middle . . 14 A 14 ALA middle . . 15 A 15 LYS middle . . 16 A 16 PHE middle . . 17 A 17 ASP middle . . 18 A 18 THR middle . . 19 A 19 GLY middle . false 20 A 20 VAL middle . . 21 A 21 ASP middle . . 22 A 22 ASN middle . . 23 A 23 LEU middle . . 24 A 24 GLN middle . . 25 A 25 THR middle . . 26 A 26 GLN middle . . 27 A 27 VAL middle . . 28 A 28 THR middle . . 29 A 29 GLU middle . . 30 A 30 ALA middle . . 31 A 31 LEU middle . . 32 A 32 ASP middle . . 33 A 33 LYS middle . . 34 A 34 LEU middle . . 35 A 35 ALA middle . . 36 A 36 ALA middle . . 37 A 37 LYS middle . . 38 A 38 PRO middle . false 39 A 39 SER middle . . 40 A 40 ASP middle . . 41 A 41 PRO middle . false 42 A 42 ALA middle . . 43 A 43 LEU middle . . 44 A 44 LEU middle . . 45 A 45 ALA middle . . 46 A 46 ALA middle . . 47 A 47 TYR middle . . 48 A 48 GLN middle . . 49 A 49 SER middle . . 50 A 50 LYS middle . . 51 A 51 LEU middle . . 52 A 52 SER middle . . 53 A 53 GLU middle . . 54 A 54 TYR middle . . 55 A 55 ASN middle . . 56 A 56 LEU middle . . 57 A 57 TYR middle . . 58 A 58 ARG middle . . 59 A 59 ASN middle . . 60 A 60 ALA middle . . 61 A 61 GLN middle . . 62 A 62 SER middle . . 63 A 63 ASN middle . . 64 A 64 THR middle . . 65 A 65 VAL middle . . 66 A 66 LYS middle . . 67 A 67 VAL middle . . 68 A 68 PHE middle . . 69 A 69 LYS middle . . 70 A 70 ASP middle . . 71 A 71 ILE middle . . 72 A 72 ASP middle . . 73 A 73 ALA middle . . 74 A 74 ALA middle . . 75 A 75 ILE middle . . 76 A 76 LEU middle . . 77 A 77 GLU middle . . 78 A 78 HIS middle . . 79 A 79 HIS middle . . 80 A 80 HIS middle . . 81 A 81 HIS middle . . 82 A 82 HIS middle . . 83 A 83 HIS end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 2 ALA HA H 1 4.113 . A 2 ALA HB% H 1 1.464 . A 2 ALA CA C 13 51.484 . A 2 ALA CB C 13 19.395 . A 3 THR HA H 1 4.545 . A 3 THR HB H 1 3.936 . A 3 THR HG2% H 1 1.174 . A 3 THR CA C 13 59.673 . A 3 THR CB C 13 69.530 . A 3 THR CG2 C 13 21.437 . A 4 PRO HA H 1 4.342 . A 4 PRO HBy H 1 2.177 . A 4 PRO HBx H 1 1.710 . A 4 PRO HDy H 1 3.729 . A 4 PRO HDx H 1 3.484 . A 4 PRO HG2 H 1 1.860 . A 4 PRO HG3 H 1 1.860 . A 4 PRO C C 13 176.530 . A 4 PRO CA C 13 63.437 . A 4 PRO CB C 13 31.933 . A 4 PRO CD C 13 50.955 . A 4 PRO CG C 13 27.271 . A 5 TRP H H 1 8.045 . A 5 TRP HA H 1 4.637 . A 5 TRP HB2 H 1 3.243 . A 5 TRP HB3 H 1 3.243 . A 5 TRP HE1 H 1 10.161 . A 5 TRP C C 13 176.296 . A 5 TRP CA C 13 57.425 . A 5 TRP CB C 13 29.306 . A 5 TRP N N 15 120.439 . A 5 TRP NE1 N 15 129.886 . A 6 SER H H 1 8.026 . A 6 SER HA H 1 4.220 . A 6 SER HBy H 1 3.732 . A 6 SER HBx H 1 3.654 . A 6 SER C C 13 174.474 . A 6 SER CA C 13 58.576 . A 6 SER CB C 13 63.844 . A 6 SER N N 15 118.616 . A 7 GLY H H 1 7.309 . A 7 GLY HAy H 1 3.651 . A 7 GLY HAx H 1 3.513 . A 7 GLY C C 13 173.516 . A 7 GLY CA C 13 45.133 . A 7 GLY N N 15 109.694 . A 8 TYR H H 1 7.804 . A 8 TYR HA H 1 4.456 . A 8 TYR HBy H 1 2.963 . A 8 TYR HBx H 1 2.856 . A 8 TYR C C 13 175.651 . A 8 TYR CA C 13 58.093 . A 8 TYR CB C 13 38.799 . A 8 TYR N N 15 119.638 . A 9 LEU H H 1 8.086 . A 9 LEU HA H 1 4.219 . A 9 LEU HBy H 1 1.533 . A 9 LEU HBx H 1 1.479 . A 9 LEU HDx% H 1 0.770 . A 9 LEU HDy% H 1 0.820 . A 9 LEU HG H 1 1.418 . A 9 LEU C C 13 176.637 . A 9 LEU CA C 13 55.099 . A 9 LEU CB C 13 42.448 . A 9 LEU CDx C 13 23.479 . A 9 LEU CDy C 13 24.937 . A 9 LEU CG C 13 26.688 . A 9 LEU N N 15 123.369 . A 10 ASP H H 1 8.060 . A 10 ASP HA H 1 4.490 . A 10 ASP HBy H 1 2.653 . A 10 ASP HBx H 1 2.585 . A 10 ASP C C 13 175.830 . A 10 ASP CA C 13 54.404 . A 10 ASP CB C 13 41.193 . A 10 ASP N N 15 120.437 . A 11 ASP H H 1 8.152 . A 11 ASP HA H 1 4.554 . A 11 ASP HBy H 1 2.696 . A 11 ASP HBx H 1 2.629 . A 11 ASP C C 13 176.864 . A 11 ASP CA C 13 54.461 . A 11 ASP CB C 13 41.161 . A 11 ASP N N 15 120.253 . A 12 VAL H H 1 8.079 . A 12 VAL HA H 1 4.038 . A 12 VAL HB H 1 2.153 . A 12 VAL HGx% H 1 0.894 . A 12 VAL C C 13 176.789 . A 12 VAL CA C 13 63.107 . A 12 VAL CB C 13 32.149 . A 12 VAL CGx C 13 20.416 . A 12 VAL N N 15 119.947 . A 13 SER H H 1 8.302 . A 13 SER HA H 1 4.287 . A 13 SER HB2 H 1 3.858 . A 13 SER HB3 H 1 3.858 . A 13 SER C C 13 174.648 . A 13 SER CA C 13 59.278 . A 13 SER CB C 13 61.477 . A 13 SER N N 15 118.036 . A 14 ALA H H 1 8.032 . A 14 ALA HA H 1 4.223 . A 14 ALA HB% H 1 1.321 . A 14 ALA C C 13 177.556 . A 14 ALA CA C 13 52.751 . A 14 ALA CB C 13 19.100 . A 14 ALA N N 15 125.125 . A 15 LYS H H 1 7.930 . A 15 LYS HA H 1 4.184 . A 15 LYS HB2 H 1 1.649 . A 15 LYS HB3 H 1 1.649 . A 15 LYS HD2 H 1 1.571 . A 15 LYS HD3 H 1 1.571 . A 15 LYS HGy H 1 1.314 . A 15 LYS HGx H 1 1.250 . A 15 LYS C C 13 176.442 . A 15 LYS CA C 13 56.282 . A 15 LYS CB C 13 33.012 . A 15 LYS CD C 13 28.875 . A 15 LYS CG C 13 24.646 . A 15 LYS N N 15 119.409 . A 16 PHE H H 1 8.104 . A 16 PHE HA H 1 4.615 . A 16 PHE HBy H 1 3.132 . A 16 PHE HBx H 1 2.966 . A 16 PHE C C 13 175.401 . A 16 PHE CA C 13 57.662 . A 16 PHE CB C 13 39.688 . A 16 PHE N N 15 120.679 . A 17 ASP H H 1 8.303 . A 17 ASP HA H 1 4.632 . A 17 ASP HBy H 1 2.713 . A 17 ASP HBx H 1 2.623 . A 17 ASP C C 13 176.485 . A 17 ASP CA C 13 54.328 . A 17 ASP CB C 13 41.396 . A 17 ASP N N 15 121.968 . A 18 THR H H 1 8.172 . A 18 THR HA H 1 4.240 . A 18 THR HB H 1 4.282 . A 18 THR HG2% H 1 1.212 . A 18 THR C C 13 175.533 . A 18 THR CA C 13 62.619 . A 18 THR CB C 13 69.531 . A 18 THR CG2 C 13 21.583 . A 18 THR N N 15 114.589 . A 19 GLY H H 1 8.429 . A 19 GLY HAy H 1 3.959 . A 19 GLY HAx H 1 3.909 . A 19 GLY C C 13 174.883 . A 19 GLY CA C 13 45.788 . A 19 GLY N N 15 110.979 . A 20 VAL H H 1 7.989 . A 20 VAL HA H 1 3.872 . A 20 VAL HB H 1 2.061 . A 20 VAL HG1% H 1 0.916 . A 20 VAL HG2% H 1 0.916 . A 20 VAL C C 13 176.249 . A 20 VAL CA C 13 63.763 . A 20 VAL CB C 13 32.353 . A 20 VAL CGx C 13 21.291 . A 20 VAL N N 15 119.768 . A 21 ASP H H 1 8.252 . A 21 ASP HA H 1 4.510 . A 21 ASP HBy H 1 2.692 . A 21 ASP HBx H 1 2.623 . A 21 ASP C C 13 177.092 . A 21 ASP CA C 13 55.571 . A 21 ASP CB C 13 41.055 . A 21 ASP N N 15 122.290 . A 22 ASN H H 1 8.256 . A 22 ASN HA H 1 4.544 . A 22 ASN HBy H 1 2.815 . A 22 ASN HBx H 1 2.771 . A 22 ASN C C 13 180.593 . A 22 ASN CA C 13 54.800 . A 22 ASN CB C 13 38.648 . A 22 ASN N N 15 119.207 . A 23 LEU H H 1 8.099 . A 23 LEU HA H 1 4.044 . A 23 LEU HBy H 1 1.829 . A 23 LEU HBx H 1 1.462 . A 23 LEU HDx% H 1 0.745 . A 23 LEU HDy% H 1 0.797 . A 23 LEU HG H 1 1.590 . A 23 LEU C C 13 178.523 . A 23 LEU CA C 13 57.754 . A 23 LEU CB C 13 42.508 . A 23 LEU CDy C 13 25.375 . A 23 LEU CDx C 13 23.771 . A 23 LEU CG C 13 27.563 . A 23 LEU N N 15 121.230 . A 24 GLN H H 1 8.481 . A 24 GLN HA H 1 3.466 . A 24 GLN HB2 H 1 2.153 . A 24 GLN HB3 H 1 2.153 . A 24 GLN HG2 H 1 2.178 . A 24 GLN HG3 H 1 2.178 . A 24 GLN C C 13 178.370 . A 24 GLN CA C 13 59.244 . A 24 GLN CB C 13 28.328 . A 24 GLN CG C 13 34.126 . A 24 GLN N N 15 119.770 . A 25 THR H H 1 8.017 . A 25 THR HA H 1 3.971 . A 25 THR HB H 1 4.285 . A 25 THR HG2% H 1 1.220 . A 25 THR C C 13 176.111 . A 25 THR CA C 13 65.870 . A 25 THR CB C 13 68.549 . A 25 THR CG2 C 13 21.678 . A 25 THR N N 15 115.927 . A 26 GLN H H 1 7.895 . A 26 GLN HA H 1 4.133 . A 26 GLN HBy H 1 2.265 . A 26 GLN HBx H 1 1.989 . A 26 GLN HGy H 1 2.604 . A 26 GLN HGx H 1 2.387 . A 26 GLN C C 13 179.571 . A 26 GLN CA C 13 58.835 . A 26 GLN CB C 13 28.730 . A 26 GLN CG C 13 34.125 . A 26 GLN N N 15 120.302 . A 27 VAL H H 1 8.197 . A 27 VAL HA H 1 3.514 . A 27 VAL HB H 1 2.099 . A 27 VAL HGx% H 1 0.791 . A 27 VAL HGy% H 1 0.841 . A 27 VAL C C 13 177.010 . A 27 VAL CA C 13 66.937 . A 27 VAL CB C 13 31.501 . A 27 VAL CGy C 13 23.333 . A 27 VAL CGx C 13 22.166 . A 27 VAL N N 15 122.122 . A 28 THR H H 1 8.043 . A 28 THR HA H 1 3.850 . A 28 THR HB H 1 4.259 . A 28 THR HG2% H 1 1.222 . A 28 THR C C 13 176.052 . A 28 THR CA C 13 66.383 . A 28 THR CB C 13 68.549 . A 28 THR CG2 C 13 22.020 . A 28 THR N N 15 116.625 . A 29 GLU H H 1 8.382 . A 29 GLU HA H 1 4.102 . A 29 GLU HBy H 1 2.084 . A 29 GLU HBx H 1 1.985 . A 29 GLU HGy H 1 2.447 . A 29 GLU HGx H 1 2.195 . A 29 GLU C C 13 178.528 . A 29 GLU CA C 13 59.194 . A 29 GLU CB C 13 29.605 . A 29 GLU CG C 13 36.606 . A 29 GLU N N 15 121.395 . A 30 ALA H H 1 7.884 . A 30 ALA HA H 1 4.170 . A 30 ALA HB% H 1 1.645 . A 30 ALA C C 13 180.644 . A 30 ALA CA C 13 54.658 . A 30 ALA CB C 13 18.035 . A 30 ALA N N 15 121.248 . A 31 LEU H H 1 8.570 . A 31 LEU HA H 1 3.663 . A 31 LEU HBy H 1 1.834 . A 31 LEU HBx H 1 1.586 . A 31 LEU HDx% H 1 0.412 . A 31 LEU HDy% H 1 0.661 . A 31 LEU HG H 1 1.394 . A 31 LEU C C 13 178.214 . A 31 LEU CA C 13 57.462 . A 31 LEU CB C 13 41.164 . A 31 LEU CDx C 13 22.604 . A 31 LEU CDy C 13 25.083 . A 31 LEU CG C 13 26.688 . A 31 LEU N N 15 123.142 . A 32 ASP H H 1 8.406 . A 32 ASP HA H 1 4.316 . A 32 ASP HBy H 1 2.788 . A 32 ASP HBx H 1 2.598 . A 32 ASP C C 13 179.462 . A 32 ASP CA C 13 57.069 . A 32 ASP CB C 13 40.107 . A 32 ASP N N 15 120.434 . A 33 LYS H H 1 7.804 . A 33 LYS HA H 1 4.021 . A 33 LYS HB2 H 1 1.839 . A 33 LYS HB3 H 1 1.839 . A 33 LYS HD2 H 1 1.653 . A 33 LYS HD3 H 1 1.653 . A 33 LYS HE2 H 1 2.926 . A 33 LYS HE3 H 1 2.926 . A 33 LYS HGy H 1 1.695 . A 33 LYS HGx H 1 1.456 . A 33 LYS C C 13 178.951 . A 33 LYS CA C 13 59.108 . A 33 LYS CB C 13 32.713 . A 33 LYS CD C 13 28.876 . A 33 LYS CE C 13 41.857 . A 33 LYS CG C 13 25.667 . A 33 LYS N N 15 118.915 . A 34 LEU H H 1 7.637 . A 34 LEU HA H 1 3.962 . A 34 LEU HBy H 1 1.838 . A 34 LEU HBx H 1 1.228 . A 34 LEU HDx% H 1 0.690 . A 34 LEU HDy% H 1 0.842 . A 34 LEU HG H 1 1.388 . A 34 LEU CA C 13 56.972 . A 34 LEU CB C 13 42.294 . A 34 LEU CDy C 13 26.250 . A 34 LEU CDx C 13 23.625 . A 34 LEU CG C 13 26.834 . A 34 LEU N N 15 120.868 . A 35 ALA HA H 1 3.863 . A 35 ALA HB% H 1 1.379 . A 35 ALA CA C 13 53.963 . A 35 ALA CB C 13 18.228 . A 36 ALA HA H 1 4.243 . A 36 ALA HB% H 1 1.445 . A 36 ALA C C 13 178.081 . A 36 ALA CA C 13 52.960 . A 36 ALA CB C 13 19.278 . A 37 LYS H H 1 7.484 . A 37 LYS HA H 1 4.555 . A 37 LYS HBy H 1 1.935 . A 37 LYS HBx H 1 1.586 . A 37 LYS HD2 H 1 1.723 . A 37 LYS HD3 H 1 1.723 . A 37 LYS HEy H 1 2.995 . A 37 LYS HEx H 1 2.954 . A 37 LYS HG2 H 1 1.365 . A 37 LYS HG3 H 1 1.365 . A 37 LYS CA C 13 54.377 . A 37 LYS CB C 13 33.397 . A 37 LYS CD C 13 29.459 . A 37 LYS CE C 13 42.002 . A 37 LYS CG C 13 25.375 . A 37 LYS N N 15 119.664 . A 38 PRO HA H 1 4.536 . A 38 PRO HBy H 1 2.185 . A 38 PRO HBx H 1 1.864 . A 38 PRO HDy H 1 3.539 . A 38 PRO HDx H 1 3.445 . A 38 PRO HG2 H 1 1.920 . A 38 PRO HG3 H 1 1.920 . A 38 PRO C C 13 177.584 . A 38 PRO CA C 13 64.696 . A 38 PRO CB C 13 31.939 . A 38 PRO CD C 13 49.693 . A 38 PRO CG C 13 27.125 . A 39 SER H H 1 8.031 . A 39 SER HA H 1 4.427 . A 39 SER HBy H 1 4.008 . A 39 SER HBx H 1 3.807 . A 39 SER C C 13 174.393 . A 39 SER CA C 13 57.676 . A 39 SER CB C 13 63.702 . A 39 SER N N 15 112.062 . A 40 ASP H H 1 7.802 . A 40 ASP HA H 1 4.877 . A 40 ASP HBy H 1 3.092 . A 40 ASP HBx H 1 2.504 . A 40 ASP CA C 13 52.365 . A 40 ASP CB C 13 42.878 . A 40 ASP N N 15 124.947 . A 41 PRO HA H 1 4.307 . A 41 PRO HBy H 1 2.390 . A 41 PRO HBx H 1 2.027 . A 41 PRO HDy H 1 4.335 . A 41 PRO HDx H 1 3.901 . A 41 PRO HGy H 1 2.142 . A 41 PRO HGx H 1 2.077 . A 41 PRO CA C 13 64.900 . A 41 PRO CB C 13 32.084 . A 41 PRO CD C 13 51.257 . A 41 PRO CG C 13 27.271 . A 42 ALA H H 1 8.221 . A 42 ALA HA H 1 4.294 . A 42 ALA HB% H 1 1.495 . A 42 ALA CA C 13 54.785 . A 42 ALA CB C 13 17.936 . A 42 ALA N N 15 122.627 . A 43 LEU HA H 1 4.205 . A 43 LEU HBy H 1 1.997 . A 43 LEU HBx H 1 1.370 . A 43 LEU HDx% H 1 0.832 . A 43 LEU HDy% H 1 1.014 . A 43 LEU HG H 1 1.718 . A 43 LEU CA C 13 56.734 . A 43 LEU CB C 13 41.565 . A 43 LEU CDx C 13 22.166 . A 43 LEU CDy C 13 26.542 . A 43 LEU CG C 13 26.688 . A 44 LEU HA H 1 4.235 . A 44 LEU HBy H 1 1.793 . A 44 LEU HBx H 1 1.749 . A 44 LEU HDx% H 1 0.962 . A 44 LEU HDy% H 1 1.012 . A 44 LEU HG H 1 1.571 . A 44 LEU C C 13 178.196 . A 44 LEU CA C 13 58.334 . A 44 LEU CB C 13 41.520 . A 44 LEU CDy C 13 25.285 . A 44 LEU CDx C 13 23.801 . A 44 LEU CG C 13 27.125 . A 45 ALA H H 1 7.885 . A 45 ALA HA H 1 4.189 . A 45 ALA HB% H 1 1.498 . A 45 ALA C C 13 180.527 . A 45 ALA CA C 13 54.907 . A 45 ALA CB C 13 17.848 . A 45 ALA N N 15 121.241 . A 46 ALA H H 1 8.018 . A 46 ALA HA H 1 4.198 . A 46 ALA HB% H 1 1.530 . A 46 ALA C C 13 180.072 . A 46 ALA CA C 13 54.932 . A 46 ALA CB C 13 18.495 . A 46 ALA N N 15 120.792 . A 47 TYR H H 1 7.804 . A 47 TYR HA H 1 4.173 . A 47 TYR HBy H 1 3.111 . A 47 TYR HBx H 1 3.022 . A 47 TYR C C 13 176.012 . A 47 TYR CA C 13 60.984 . A 47 TYR CB C 13 38.316 . A 47 TYR N N 15 118.549 . A 48 GLN H H 1 8.531 . A 48 GLN HA H 1 3.554 . A 48 GLN HBy H 1 2.175 . A 48 GLN HBx H 1 1.994 . A 48 GLN HGy H 1 2.577 . A 48 GLN HGx H 1 2.304 . A 48 GLN C C 13 179.279 . A 48 GLN CA C 13 59.042 . A 48 GLN CB C 13 27.990 . A 48 GLN CG C 13 34.126 . A 48 GLN N N 15 117.399 . A 49 SER H H 1 8.316 . A 49 SER HA H 1 4.194 . A 49 SER HB2 H 1 3.976 . A 49 SER HB3 H 1 3.976 . A 49 SER C C 13 176.978 . A 49 SER CA C 13 61.444 . A 49 SER CB C 13 62.915 . A 49 SER N N 15 114.905 . A 50 LYS H H 1 7.904 . A 50 LYS HA H 1 4.202 . A 50 LYS HBy H 1 1.928 . A 50 LYS HBx H 1 1.694 . A 50 LYS HD2 H 1 1.821 . A 50 LYS HD3 H 1 1.821 . A 50 LYS HEy H 1 2.934 . A 50 LYS HEx H 1 2.903 . A 50 LYS HGy H 1 1.536 . A 50 LYS HGx H 1 1.493 . A 50 LYS C C 13 178.282 . A 50 LYS CA C 13 57.181 . A 50 LYS CB C 13 30.726 . A 50 LYS CD C 13 26.979 . A 50 LYS CE C 13 41.419 . A 50 LYS CG C 13 24.062 . A 50 LYS N N 15 122.392 . A 51 LEU H H 1 8.593 . A 51 LEU HA H 1 3.968 . A 51 LEU HBy H 1 1.509 . A 51 LEU HBx H 1 1.020 . A 51 LEU HDx% H 1 0.781 . A 51 LEU HDy% H 1 0.856 . A 51 LEU HG H 1 1.443 . A 51 LEU C C 13 178.637 . A 51 LEU CA C 13 57.811 . A 51 LEU CB C 13 41.761 . A 51 LEU CDy C 13 24.937 . A 51 LEU CDx C 13 23.479 . A 51 LEU CG C 13 26.542 . A 51 LEU N N 15 121.244 . A 52 SER H H 1 7.966 . A 52 SER HA H 1 4.233 . A 52 SER HB2 H 1 3.995 . A 52 SER HB3 H 1 3.995 . A 52 SER C C 13 176.783 . A 52 SER CA C 13 61.636 . A 52 SER CB C 13 62.796 . A 52 SER N N 15 113.807 . A 53 GLU H H 1 7.868 . A 53 GLU HA H 1 4.003 . A 53 GLU HB2 H 1 2.193 . A 53 GLU HB3 H 1 2.193 . A 53 GLU HGy H 1 2.462 . A 53 GLU HGx H 1 2.218 . A 53 GLU C C 13 178.781 . A 53 GLU CA C 13 59.518 . A 53 GLU CB C 13 30.079 . A 53 GLU CG C 13 36.314 . A 53 GLU N N 15 122.086 . A 54 TYR H H 1 8.426 . A 54 TYR HA H 1 4.259 . A 54 TYR HBy H 1 3.198 . A 54 TYR HBx H 1 2.936 . A 54 TYR C C 13 176.677 . A 54 TYR CA C 13 60.887 . A 54 TYR CB C 13 38.650 . A 54 TYR N N 15 120.402 . A 55 ASN H H 1 8.674 . A 55 ASN HA H 1 4.255 . A 55 ASN HBy H 1 2.846 . A 55 ASN HBx H 1 2.735 . A 55 ASN C C 13 177.561 . A 55 ASN CA C 13 55.647 . A 55 ASN CB C 13 38.004 . A 55 ASN N N 15 118.089 . A 56 LEU H H 1 8.053 . A 56 LEU HA H 1 4.037 . A 56 LEU HBy H 1 1.759 . A 56 LEU HBx H 1 1.533 . A 56 LEU HDx% H 1 0.809 . A 56 LEU HDy% H 1 0.850 . A 56 LEU HG H 1 1.630 . A 56 LEU C C 13 179.149 . A 56 LEU CA C 13 57.800 . A 56 LEU CB C 13 41.905 . A 56 LEU CDx C 13 23.771 . A 56 LEU CDy C 13 24.792 . A 56 LEU CG C 13 26.834 . A 56 LEU N N 15 121.071 . A 57 TYR H H 1 7.783 . A 57 TYR HA H 1 4.209 . A 57 TYR HBy H 1 3.055 . A 57 TYR HBx H 1 2.978 . A 57 TYR C C 13 177.619 . A 57 TYR CA C 13 60.408 . A 57 TYR CB C 13 38.605 . A 57 TYR N N 15 119.618 . A 58 ARG H H 1 8.226 . A 58 ARG HA H 1 3.847 . A 58 ARG HB2 H 1 1.571 . A 58 ARG HB3 H 1 1.571 . A 58 ARG HDy H 1 2.932 . A 58 ARG HDx H 1 2.845 . A 58 ARG HG2 H 1 1.353 . A 58 ARG HG3 H 1 1.353 . A 58 ARG C C 13 177.756 . A 58 ARG CA C 13 57.785 . A 58 ARG CB C 13 29.637 . A 58 ARG CD C 13 42.877 . A 58 ARG CG C 13 26.688 . A 58 ARG N N 15 118.950 . A 59 ASN H H 1 8.036 . A 59 ASN HA H 1 4.529 . A 59 ASN HBx H 1 2.784 . A 59 ASN C C 13 175.851 . A 59 ASN CA C 13 54.331 . A 59 ASN CB C 13 38.576 . A 59 ASN N N 15 117.639 . A 60 ALA H H 1 7.800 . A 60 ALA HA H 1 4.208 . A 60 ALA HB% H 1 1.385 . A 60 ALA C C 13 178.431 . A 60 ALA CA C 13 53.432 . A 60 ALA CB C 13 23.875 . A 60 ALA N N 15 122.801 . A 61 GLN H H 1 7.955 . A 61 GLN HA H 1 4.161 . A 61 GLN HBy H 1 2.090 . A 61 GLN HBx H 1 1.895 . A 61 GLN HG2 H 1 2.198 . A 61 GLN HG3 H 1 2.198 . A 61 GLN C C 13 176.528 . A 61 GLN CA C 13 56.215 . A 61 GLN CB C 13 28.875 . A 61 GLN CG C 13 33.543 . A 61 GLN N N 15 117.587 . A 62 SER H H 1 8.047 . A 62 SER HA H 1 4.342 . A 62 SER HBy H 1 3.882 . A 62 SER HBx H 1 3.825 . A 62 SER C C 13 174.510 . A 62 SER CA C 13 58.933 . A 62 SER CB C 13 63.652 . A 62 SER N N 15 115.292 . A 63 ASN H H 1 8.289 . A 63 ASN HA H 1 4.725 . A 63 ASN HBy H 1 2.823 . A 63 ASN HBx H 1 2.762 . A 63 ASN C C 13 175.376 . A 63 ASN CA C 13 53.525 . A 63 ASN CB C 13 38.813 . A 63 ASN N N 15 120.221 . A 64 THR H H 1 7.993 . A 64 THR HA H 1 4.265 . A 64 THR HB H 1 4.174 . A 64 THR HG2% H 1 1.161 . A 64 THR C C 13 174.487 . A 64 THR CA C 13 62.346 . A 64 THR CB C 13 69.765 . A 64 THR CG2 C 13 21.583 . A 64 THR N N 15 114.038 . A 65 VAL H H 1 8.018 . A 65 VAL HA H 1 4.017 . A 65 VAL HB H 1 2.030 . A 65 VAL HGx% H 1 0.863 . A 65 VAL HGy% H 1 0.907 . A 65 VAL C C 13 175.864 . A 65 VAL CA C 13 62.617 . A 65 VAL CB C 13 32.491 . A 65 VAL CGx C 13 20.853 . A 65 VAL CGy C 13 21.145 . A 65 VAL N N 15 122.556 . A 66 LYS H H 1 8.269 . A 66 LYS HA H 1 4.230 . A 66 LYS HB2 H 1 1.667 . A 66 LYS HB3 H 1 1.667 . A 66 LYS HD2 H 1 1.609 . A 66 LYS HD3 H 1 1.609 . A 66 LYS HGy H 1 1.331 . A 66 LYS HGx H 1 1.255 . A 66 LYS C C 13 175.969 . A 66 LYS CA C 13 56.208 . A 66 LYS CB C 13 33.107 . A 66 LYS CD C 13 28.875 . A 66 LYS CG C 13 24.792 . A 66 LYS N N 15 125.408 . A 67 VAL H H 1 8.001 . A 67 VAL HA H 1 4.018 . A 67 VAL HB H 1 1.924 . A 67 VAL HGx% H 1 0.778 . A 67 VAL HGy% H 1 0.834 . A 67 VAL C C 13 175.652 . A 67 VAL CA C 13 62.158 . A 67 VAL CB C 13 32.951 . A 67 VAL CGy C 13 20.999 . A 67 VAL CGx C 13 20.562 . A 67 VAL N N 15 121.375 . A 68 PHE H H 1 8.340 . A 68 PHE HA H 1 4.572 . A 68 PHE HBy H 1 3.083 . A 68 PHE HBx H 1 2.941 . A 68 PHE C C 13 175.462 . A 68 PHE CA C 13 57.720 . A 68 PHE CB C 13 39.765 . A 68 PHE N N 15 124.212 . A 69 LYS H H 1 8.236 . A 69 LYS HA H 1 4.239 . A 69 LYS HBy H 1 1.754 . A 69 LYS HBx H 1 1.672 . A 69 LYS HD2 H 1 1.622 . A 69 LYS HD3 H 1 1.622 . A 69 LYS HGy H 1 1.381 . A 69 LYS HGx H 1 1.339 . A 69 LYS C C 13 175.818 . A 69 LYS CA C 13 56.286 . A 69 LYS CB C 13 33.448 . A 69 LYS CD C 13 28.875 . A 69 LYS CG C 13 24.500 . A 69 LYS N N 15 123.117 . A 70 ASP H H 1 8.256 . A 70 ASP HA H 1 4.528 . A 70 ASP HBy H 1 2.703 . A 70 ASP HBx H 1 2.579 . A 70 ASP C C 13 176.465 . A 70 ASP CA C 13 54.553 . A 70 ASP CB C 13 41.098 . A 70 ASP N N 15 121.494 . A 71 ILE H H 1 8.100 . A 71 ILE HA H 1 4.020 . A 71 ILE HB H 1 1.834 . A 71 ILE HD1% H 1 0.787 . A 71 ILE HG12 H 1 1.435 . A 71 ILE HG13 H 1 1.140 . A 71 ILE HG2% H 1 0.856 . A 71 ILE C C 13 175.997 . A 71 ILE CA C 13 61.831 . A 71 ILE CB C 13 38.694 . A 71 ILE CD1 C 13 13.269 . A 71 ILE CG1 C 13 27.563 . A 71 ILE CG2 C 13 17.499 . A 71 ILE N N 15 120.643 . A 72 ASP H H 1 8.180 . A 72 ASP HA H 1 4.491 . A 72 ASP HBy H 1 2.679 . A 72 ASP HBx H 1 2.605 . A 72 ASP C C 13 176.680 . A 72 ASP CA C 13 55.021 . A 72 ASP CB C 13 41.122 . A 72 ASP N N 15 123.265 . A 73 ALA H H 1 8.116 . A 73 ALA HA H 1 4.130 . A 73 ALA HB% H 1 1.396 . A 73 ALA C C 13 178.312 . A 73 ALA CA C 13 53.513 . A 73 ALA CB C 13 18.947 . A 73 ALA N N 15 124.310 . A 74 ALA H H 1 8.138 . A 74 ALA HA H 1 4.149 . A 74 ALA HB% H 1 1.362 . A 74 ALA C C 13 178.750 . A 74 ALA CA C 13 53.464 . A 74 ALA CB C 13 18.755 . A 74 ALA N N 15 121.606 . A 75 ILE H H 1 7.841 . A 75 ILE HA H 1 3.947 . A 75 ILE HB H 1 1.875 . A 75 ILE HD1% H 1 0.806 . A 75 ILE HG12 H 1 1.485 . A 75 ILE HG13 H 1 1.139 . A 75 ILE HG2% H 1 0.835 . A 75 ILE C C 13 176.893 . A 75 ILE CA C 13 62.174 . A 75 ILE CB C 13 38.214 . A 75 ILE CD1 C 13 12.977 . A 75 ILE CG1 C 13 27.709 . A 75 ILE CG2 C 13 17.499 . A 75 ILE N N 15 118.632 . A 76 LEU H H 1 7.919 . A 76 LEU HA H 1 4.189 . A 76 LEU HBy H 1 1.620 . A 76 LEU HBx H 1 1.494 . A 76 LEU HDx% H 1 0.789 . A 76 LEU HDy% H 1 0.843 . A 76 LEU HG H 1 1.560 . A 76 LEU C C 13 177.743 . A 76 LEU CA C 13 55.804 . A 76 LEU CB C 13 42.174 . A 76 LEU CDx C 13 23.479 . A 76 LEU CDy C 13 24.937 . A 76 LEU CG C 13 26.979 . A 76 LEU N N 15 123.571 . A 77 GLU H H 1 8.050 . A 77 GLU HA H 1 4.104 . A 77 GLU HB2 H 1 1.892 . A 77 GLU HB3 H 1 1.892 . A 77 GLU HGy H 1 2.196 . A 77 GLU HGx H 1 2.118 . A 77 GLU C C 13 176.605 . A 77 GLU CA C 13 57.046 . A 77 GLU CB C 13 30.118 . A 77 GLU CG C 13 36.023 . A 77 GLU N N 15 119.985 . A 78 HIS H H 1 8.099 . A 78 HIS HA H 1 4.479 . A 78 HIS C C 13 175.241 . A 78 HIS CA C 13 56.455 . A 78 HIS N N 15 118.922 . A 79 HIS H H 1 8.172 . A 79 HIS CA C 13 56.306 . A 79 HIS N N 15 119.297 . A 82 HIS C C 13 173.823 . A 83 HIS H H 1 8.079 . A 83 HIS N N 15 125.276 . stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 2 ALA HA A 3 THR HA 1.0 . 5.5 2 2 A 2 ALA HA A 3 THR HB 1.0 . 5.5 3 3 A 2 ALA HA A 3 THR HG2% 1.0 . 3.5 4 4 A 2 ALA HB% A 4 PRO HA 1.0 . 5.5 5 5 A 2 ALA HB% A 4 PRO HBy 1.0 . 5.5 6 5 A 2 ALA HB% A 4 PRO HBx 1.0 . 5.5 7 6 A 2 ALA HB% A 4 PRO HDx 1.0 . 5.5 8 6 A 2 ALA HB% A 4 PRO HDy 1.0 . 5.5 9 7 A 2 ALA HB% A 4 PRO HG2 1.0 . 5.5 10 7 A 2 ALA HB% A 4 PRO HG3 1.0 . 5.5 11 8 A 2 ALA HB% A 5 TRP HA 1.0 . 5.5 12 9 A 3 THR HA A 3 THR HB 1.0 . 2.7 13 10 A 3 THR HB A 3 THR H 1.0 . 3.5 14 11 A 3 THR HA A 4 PRO HA 1.0 . 5.5 15 12 A 3 THR HA A 4 PRO HDy 1.0 . 2.7 16 13 A 3 THR HA A 4 PRO HDx 1.0 . 2.7 17 14 A 3 THR HA A 4 PRO HBy 1.0 . 5.5 18 14 A 3 THR HA A 4 PRO HBx 1.0 . 5.5 19 15 A 3 THR HA A 4 PRO HG2 1.0 . 3.5 20 15 A 3 THR HA A 4 PRO HG3 1.0 . 3.5 21 16 A 3 THR HB A 4 PRO HA 1.0 . 4.5 22 17 A 3 THR HB A 4 PRO HDy 1.0 . 3.5 23 18 A 3 THR HB A 4 PRO HDx 1.0 . 3.5 24 19 A 3 THR HB A 4 PRO HBy 1.0 . 5.5 25 19 A 3 THR HB A 4 PRO HBx 1.0 . 5.5 26 20 A 3 THR HB A 4 PRO HG2 1.0 . 4.5 27 20 A 3 THR HB A 4 PRO HG3 1.0 . 4.5 28 21 A 3 THR HG2% A 4 PRO HA 1.0 . 5.5 29 22 A 3 THR HG2% A 4 PRO HDy 1.0 . 3.5 30 23 A 3 THR HG2% A 4 PRO HDx 1.0 . 3.5 31 24 A 3 THR HG2% A 4 PRO HG2 1.0 . 4.5 32 24 A 3 THR HG2% A 4 PRO HG3 1.0 . 4.5 33 25 A 4 PRO HA A 5 TRP HA 1.0 . 5.5 34 26 A 4 PRO HA A 5 TRP H 1.0 . 3.5 35 27 A 4 PRO HA A 5 TRP HB3 1.0 . 5.5 36 27 A 4 PRO HA A 5 TRP HB2 1.0 . 5.5 37 28 A 5 TRP HA A 4 PRO HBy 1.0 . 5.5 38 28 A 4 PRO HBx A 5 TRP HA 1.0 . 5.5 39 29 A 5 TRP H A 4 PRO HBy 1.0 . 5.5 40 29 A 4 PRO HBx A 5 TRP H 1.0 . 5.5 41 30 A 4 PRO HBy A 5 TRP HB3 1.0 . 5.5 42 30 A 4 PRO HBx A 5 TRP HB3 1.0 . 5.5 43 30 A 5 TRP HB2 A 4 PRO HBy 1.0 . 5.5 44 30 A 4 PRO HBx A 5 TRP HB2 1.0 . 5.5 45 31 A 5 TRP HA A 5 TRP H 1.0 . 3.5 46 32 A 5 TRP H A 5 TRP HB3 1.0 . 2.7 47 32 A 5 TRP H A 5 TRP HB2 1.0 . 2.7 48 33 A 5 TRP HA A 6 SER HA 1.0 . 5.5 49 34 A 5 TRP HA A 6 SER H 1.0 . 3.5 50 35 A 5 TRP HA A 6 SER HBy 1.0 . 5.5 51 35 A 5 TRP HA A 6 SER HBx 1.0 . 5.5 52 36 A 5 TRP HB2 A 6 SER H 1.0 . 4.5 53 37 A 6 SER H A 5 TRP HB3 1.0 . 4.5 54 38 A 6 SER HA A 5 TRP HB3 1.0 . 5.5 55 38 A 5 TRP HB2 A 6 SER HA 1.0 . 5.5 56 39 A 5 TRP HB2 A 6 SER HBy 1.0 . 5.5 57 39 A 6 SER HBx A 5 TRP HB3 1.0 . 5.5 58 39 A 5 TRP HB2 A 6 SER HBx 1.0 . 5.5 59 39 A 5 TRP HB3 A 6 SER HBy 1.0 . 5.5 60 40 A 5 TRP HA A 8 TYR HBy 1.0 . 4.5 61 41 A 5 TRP HA A 8 TYR HBx 1.0 . 4.5 62 42 A 5 TRP HB3 A 8 TYR HBx 1.0 . 5.5 63 42 A 5 TRP HB2 A 8 TYR HBx 1.0 . 5.5 64 42 A 8 TYR HBy A 5 TRP HB3 1.0 . 5.5 65 42 A 5 TRP HB2 A 8 TYR HBy 1.0 . 5.5 66 43 A 5 TRP HA A 9 LEU HDx% 1.0 . 5.5 67 44 A 9 LEU HDx% A 5 TRP HB3 1.0 . 5.5 68 44 A 5 TRP HB2 A 9 LEU HDx% 1.0 . 5.5 69 45 A 9 LEU HDy% A 5 TRP HB3 1.0 . 5.5 70 45 A 5 TRP HB2 A 9 LEU HDy% 1.0 . 5.5 71 46 A 6 SER HA A 6 SER H 1.0 . 3.5 72 47 A 6 SER H A 6 SER HBy 1.0 . 2.7 73 47 A 6 SER H A 6 SER HBx 1.0 . 2.7 74 48 A 6 SER HA A 7 GLY H 1.0 . 3.5 75 49 A 6 SER HA A 7 GLY HAy 1.0 . 5.5 76 49 A 6 SER HA A 7 GLY HAx 1.0 . 5.5 77 50 A 6 SER H A 7 GLY H 1.0 . 4.5 78 51 A 7 GLY H A 6 SER HBy 1.0 . 5.5 79 51 A 6 SER HBx A 7 GLY H 1.0 . 5.5 80 52 A 6 SER HA A 9 LEU HG 1.0 . 5.5 81 53 A 6 SER HA A 9 LEU HBy 1.0 . 5.5 82 53 A 6 SER HA A 9 LEU HBx 1.0 . 5.5 83 54 A 6 SER HA A 9 LEU HDx% 1.0 . 4.5 84 55 A 6 SER HBx A 9 LEU HBx 1.0 . 5.5 85 55 A 9 LEU HBx A 6 SER HBy 1.0 . 5.5 86 56 A 7 GLY H A 7 GLY HAy 1.0 . 2.7 87 56 A 7 GLY H A 7 GLY HAx 1.0 . 2.7 88 57 A 7 GLY H A 8 TYR H 1.0 . 4.5 89 58 A 8 TYR HA A 7 GLY HAy 1.0 . 5.5 90 58 A 7 GLY HAx A 8 TYR HA 1.0 . 5.5 91 59 A 8 TYR H A 7 GLY HAy 1.0 . 3.5 92 59 A 7 GLY HAx A 8 TYR H 1.0 . 3.5 93 60 A 8 TYR H A 8 TYR HA 1.0 . 2.7 94 61 A 8 TYR H A 8 TYR HBx 1.0 . 2.7 95 61 A 8 TYR HBy A 8 TYR H 1.0 . 2.7 96 62 A 8 TYR HA A 9 LEU HA 1.0 . 5.5 97 63 A 8 TYR HA A 9 LEU H 1.0 . 3.5 98 64 A 8 TYR H A 9 LEU H 1.0 . 3.5 99 65 A 9 LEU H A 8 TYR HBx 1.0 . 3.5 100 65 A 8 TYR HBy A 9 LEU H 1.0 . 3.5 101 66 A 8 TYR HA A 11 ASP HBx 1.0 . 4.5 102 66 A 8 TYR HA A 11 ASP HBy 1.0 . 4.5 103 67 A 8 TYR HA A 12 VAL HG21 1.0 . 5.5 104 67 A 8 TYR HA A 12 VAL HGx% 1.0 . 5.5 105 68 A 9 LEU HA A 9 LEU HBy 1.0 . 2.7 106 69 A 9 LEU HBx A 9 LEU HA 1.0 . 3.5 107 70 A 9 LEU HA A 9 LEU H 1.0 . 3.5 108 71 A 9 LEU H A 9 LEU HBy 1.0 . 2.7 109 71 A 9 LEU HBx A 9 LEU H 1.0 . 2.7 110 72 A 9 LEU HDx% A 9 LEU HA 1.0 . 3.5 111 73 A 9 LEU HDy% A 9 LEU HBy 1.0 . 3.5 112 74 A 9 LEU HDy% A 9 LEU HBx 1.0 . 3.5 113 75 A 9 LEU HA A 10 ASP H 1.0 . 3.5 114 76 A 9 LEU HG A 10 ASP HA 1.0 . 5.5 115 77 A 10 ASP HA A 9 LEU HBy 1.0 . 5.5 116 77 A 9 LEU HBx A 10 ASP HA 1.0 . 5.5 117 78 A 10 ASP H A 9 LEU HBy 1.0 . 3.5 118 78 A 9 LEU HBx A 10 ASP H 1.0 . 3.5 119 79 A 9 LEU HDx% A 10 ASP HA 1.0 . 5.5 120 80 A 9 LEU HDy% A 10 ASP HA 1.0 . 5.5 121 81 A 9 LEU HA A 12 VAL HB 1.0 . 3.5 122 82 A 9 LEU HA A 12 VAL HG21 1.0 . 3.5 123 82 A 9 LEU HA A 12 VAL HGx% 1.0 . 3.5 124 83 A 9 LEU HG A 12 VAL HB 1.0 . 5.5 125 84 A 12 VAL HB A 9 LEU HBy 1.0 . 5.5 126 84 A 9 LEU HBx A 12 VAL HB 1.0 . 5.5 127 85 A 9 LEU HDx% A 14 ALA HA 1.0 . 5.5 128 86 A 10 ASP HA A 10 ASP HBy 1.0 . 2.7 129 87 A 10 ASP HA A 10 ASP HBx 1.0 . 3.5 130 88 A 10 ASP H A 10 ASP HA 1.0 . 3.5 131 89 A 10 ASP H A 10 ASP HBx 1.0 . 2.7 132 89 A 10 ASP H A 10 ASP HBy 1.0 . 2.7 133 90 A 10 ASP HA A 11 ASP H 1.0 . 3.5 134 91 A 10 ASP H A 11 ASP H 1.0 . 4.5 135 92 A 10 ASP HA A 13 SER HB2 1.0 . 3.5 136 92 A 10 ASP HA A 13 SER HB3 1.0 . 3.5 137 93 A 11 ASP HBy A 11 ASP HA 1.0 . 2.7 138 94 A 11 ASP HA A 11 ASP HBx 1.0 . 3.5 139 95 A 11 ASP H A 11 ASP HA 1.0 . 3.5 140 96 A 11 ASP H A 11 ASP HBx 1.0 . 2.7 141 96 A 11 ASP HBy A 11 ASP H 1.0 . 2.7 142 97 A 11 ASP HA A 12 VAL H 1.0 . 3.5 143 98 A 11 ASP HA A 12 VAL HG21 1.0 . 4.5 144 98 A 12 VAL HGx% A 11 ASP HA 1.0 . 4.5 145 99 A 11 ASP H A 12 VAL H 1.0 . 4.5 146 100 A 12 VAL HA A 11 ASP HBx 1.0 . 5.5 147 100 A 11 ASP HBy A 12 VAL HA 1.0 . 5.5 148 101 A 12 VAL H A 11 ASP HBx 1.0 . 3.5 149 101 A 11 ASP HBy A 12 VAL H 1.0 . 3.5 150 102 A 11 ASP HBy A 12 VAL HG21 1.0 . 5.5 151 102 A 11 ASP HBx A 12 VAL HG21 1.0 . 5.5 152 102 A 12 VAL HGx% A 11 ASP HBx 1.0 . 5.5 153 102 A 11 ASP HBy A 12 VAL HGx% 1.0 . 5.5 154 103 A 14 ALA HA A 11 ASP HA 1.0 . 5.5 155 104 A 11 ASP HA A 14 ALA H 1.0 . 5.5 156 105 A 11 ASP HA A 14 ALA HB% 1.0 . 3.5 157 106 A 12 VAL HB A 12 VAL HA 1.0 . 3.5 158 107 A 12 VAL H A 12 VAL HA 1.0 . 2.7 159 108 A 12 VAL HB A 12 VAL H 1.0 . 2.7 160 109 A 12 VAL HGx% A 12 VAL H 1.0 . 4.5 161 110 A 12 VAL H A 12 VAL HG21 1.0 . 2.7 162 111 A 12 VAL HA A 12 VAL HG21 1.0 . 2.7 163 111 A 12 VAL HGx% A 12 VAL HA 1.0 . 2.7 164 112 A 12 VAL HA A 13 SER H 1.0 . 3.5 165 113 A 12 VAL HB A 13 SER H 1.0 . 2.7 166 114 A 12 VAL H A 13 SER H 1.0 . 2.7 167 115 A 13 SER HA A 12 VAL HG21 1.0 . 3.5 168 115 A 12 VAL HGx% A 13 SER HA 1.0 . 3.5 169 116 A 12 VAL HGx% A 13 SER HB2 1.0 . 3.5 170 116 A 13 SER HB3 A 12 VAL HG21 1.0 . 3.5 171 116 A 12 VAL HGx% A 13 SER HB3 1.0 . 3.5 172 116 A 12 VAL HG21 A 13 SER HB2 1.0 . 3.5 173 117 A 12 VAL HA A 14 ALA HB% 1.0 . 5.5 174 118 A 12 VAL HA A 15 LYS H 1.0 . 5.5 175 119 A 12 VAL HA A 15 LYS HB2 1.0 . 3.5 176 119 A 12 VAL HA A 15 LYS HB3 1.0 . 3.5 177 120 A 12 VAL HA A 15 LYS HD2 1.0 . 3.5 178 120 A 12 VAL HA A 15 LYS HD3 1.0 . 3.5 179 121 A 12 VAL HA A 15 LYS HGy 1.0 . 4.5 180 121 A 12 VAL HA A 15 LYS HGx 1.0 . 4.5 181 122 A 13 SER HA A 13 SER HB2 1.0 . 2.7 182 123 A 13 SER HB3 A 13 SER HA 1.0 . 3.5 183 124 A 13 SER H A 13 SER HA 1.0 . 2.7 184 125 A 13 SER H A 13 SER HB2 1.0 . 2.7 185 125 A 13 SER HB3 A 13 SER H 1.0 . 2.7 186 126 A 14 ALA H A 13 SER HA 1.0 . 3.5 187 127 A 14 ALA HB% A 13 SER HA 1.0 . 5.5 188 128 A 14 ALA H A 13 SER HB2 1.0 . 4.5 189 129 A 13 SER HB3 A 14 ALA H 1.0 . 3.5 190 130 A 14 ALA H A 13 SER H 1.0 . 2.7 191 131 A 14 ALA HA A 13 SER HB2 1.0 . 4.5 192 131 A 14 ALA HA A 13 SER HB3 1.0 . 4.5 193 132 A 14 ALA HB% A 13 SER HB2 1.0 . 4.5 194 132 A 13 SER HB3 A 14 ALA HB% 1.0 . 4.5 195 133 A 13 SER HA A 16 PHE H 1.0 . 5.5 196 134 A 13 SER HA A 16 PHE HBx 1.0 . 3.5 197 134 A 13 SER HA A 16 PHE HBy 1.0 . 3.5 198 135 A 14 ALA HA A 14 ALA H 1.0 . 2.7 199 136 A 14 ALA H A 14 ALA HB% 1.0 . 2.7 200 137 A 14 ALA H A 15 LYS H 1.0 . 3.5 201 138 A 14 ALA HB% A 16 PHE HD% 1.0 . 5.5 202 139 A 14 ALA HA A 17 ASP HA 1.0 . 5.5 203 140 A 14 ALA HA A 17 ASP H 1.0 . 4.5 204 141 A 14 ALA HA A 17 ASP HBx 1.0 . 3.5 205 141 A 14 ALA HA A 17 ASP HBy 1.0 . 3.5 206 142 A 14 ALA HB% A 17 ASP HA 1.0 . 5.5 207 143 A 14 ALA HB% A 17 ASP HBx 1.0 . 4.5 208 143 A 14 ALA HB% A 17 ASP HBy 1.0 . 4.5 209 144 A 15 LYS H A 15 LYS HA 1.0 . 2.7 210 145 A 15 LYS H A 15 LYS HB2 1.0 . 2.7 211 145 A 15 LYS H A 15 LYS HB3 1.0 . 2.7 212 146 A 15 LYS HA A 15 LYS HD2 1.0 . 4.5 213 146 A 15 LYS HD3 A 15 LYS HA 1.0 . 4.5 214 147 A 15 LYS HA A 15 LYS HEx 1.0 . 4.5 215 147 A 15 LYS HA A 15 LYS HEy 1.0 . 4.5 216 148 A 15 LYS HA A 16 PHE HA 1.0 . 5.5 217 149 A 16 PHE H A 15 LYS HA 1.0 . 3.5 218 150 A 15 LYS HA A 16 PHE HBx 1.0 . 5.5 219 150 A 16 PHE HBy A 15 LYS HA 1.0 . 5.5 220 151 A 15 LYS H A 16 PHE H 1.0 . 3.5 221 152 A 16 PHE HA A 15 LYS HB2 1.0 . 5.5 222 152 A 15 LYS HB3 A 16 PHE HA 1.0 . 5.5 223 153 A 16 PHE H A 15 LYS HB2 1.0 . 3.5 224 153 A 15 LYS HB3 A 16 PHE H 1.0 . 3.5 225 154 A 16 PHE HA A 15 LYS HGy 1.0 . 5.5 226 154 A 15 LYS HGx A 16 PHE HA 1.0 . 5.5 227 155 A 15 LYS H A 17 ASP H 1.0 . 5.5 228 156 A 15 LYS HGy A 61 GLN HG2 1.0 . 4.5 229 156 A 15 LYS HGx A 61 GLN HG2 1.0 . 4.5 230 156 A 61 GLN HG3 A 15 LYS HGy 1.0 . 4.5 231 156 A 15 LYS HGx A 61 GLN HG3 1.0 . 4.5 232 157 A 16 PHE H A 16 PHE HA 1.0 . 2.7 233 158 A 16 PHE H A 16 PHE HBx 1.0 . 2.7 234 158 A 16 PHE H A 16 PHE HBy 1.0 . 2.7 235 159 A 16 PHE H A 17 ASP H 1.0 . 2.7 236 160 A 17 ASP HA A 16 PHE HBx 1.0 . 5.5 237 160 A 16 PHE HBy A 17 ASP HA 1.0 . 5.5 238 161 A 17 ASP H A 16 PHE HBx 1.0 . 3.5 239 161 A 16 PHE HBy A 17 ASP H 1.0 . 3.5 240 162 A 16 PHE HA A 18 THR HG2% 1.0 . 5.5 241 163 A 16 PHE HA A 19 GLY H 1.0 . 4.5 242 164 A 16 PHE HA A 20 VAL HG2% 1.0 . 4.5 243 164 A 16 PHE HA A 20 VAL HG1% 1.0 . 4.5 244 165 A 16 PHE HBy A 20 VAL HG2% 1.0 . 4.5 245 165 A 16 PHE HBx A 20 VAL HG2% 1.0 . 4.5 246 165 A 20 VAL HG1% A 16 PHE HBx 1.0 . 4.5 247 165 A 16 PHE HBy A 20 VAL HG1% 1.0 . 4.5 248 166 A 16 PHE HA A 61 GLN HG2 1.0 . 5.5 249 166 A 16 PHE HA A 61 GLN HG3 1.0 . 5.5 250 167 A 16 PHE HBy A 61 GLN HG3 1.0 . 4.5 251 167 A 16 PHE HBy A 61 GLN HG2 1.0 . 4.5 252 168 A 61 GLN HG3 A 16 PHE HBx 1.0 . 4.5 253 168 A 16 PHE HBx A 61 GLN HG2 1.0 . 4.5 254 169 A 17 ASP HA A 17 ASP HBy 1.0 . 2.7 255 170 A 17 ASP HA A 17 ASP HBx 1.0 . 3.5 256 171 A 17 ASP HA A 17 ASP H 1.0 . 2.7 257 172 A 17 ASP H A 17 ASP HBx 1.0 . 2.7 258 172 A 17 ASP H A 17 ASP HBy 1.0 . 2.7 259 173 A 17 ASP HA A 18 THR HA 1.0 . 5.5 260 174 A 17 ASP HA A 18 THR HB 1.0 . 5.5 261 175 A 17 ASP HA A 18 THR H 1.0 . 3.5 262 176 A 17 ASP HA A 18 THR HG2% 1.0 . 5.5 263 177 A 17 ASP H A 18 THR H 1.0 . 3.5 264 178 A 18 THR H A 17 ASP HBx 1.0 . 3.5 265 178 A 17 ASP HBy A 18 THR H 1.0 . 3.5 266 179 A 17 ASP H A 19 GLY H 1.0 . 5.5 267 180 A 17 ASP HA A 20 VAL HB 1.0 . 3.5 268 181 A 17 ASP HA A 20 VAL HG2% 1.0 . 3.5 269 181 A 17 ASP HA A 20 VAL HG1% 1.0 . 3.5 270 182 A 18 THR HA A 18 THR HB 1.0 . 2.7 271 183 A 18 THR HA A 18 THR H 1.0 . 2.7 272 184 A 18 THR HB A 18 THR H 1.0 . 2.7 273 185 A 18 THR HG2% A 18 THR HA 1.0 . 3.5 274 186 A 18 THR HG2% A 18 THR H 1.0 . 2.7 275 187 A 19 GLY H A 18 THR HA 1.0 . 3.5 276 188 A 19 GLY H A 18 THR HB 1.0 . 4.5 277 189 A 19 GLY H A 18 THR H 1.0 . 2.7 278 190 A 18 THR HG2% A 19 GLY HAx 1.0 . 4.5 279 191 A 18 THR HA A 21 ASP HA 1.0 . 5.5 280 192 A 18 THR HA A 21 ASP H 1.0 . 4.5 281 193 A 18 THR HA A 21 ASP HBx 1.0 . 3.5 282 193 A 18 THR HA A 21 ASP HBy 1.0 . 3.5 283 194 A 18 THR HG2% A 21 ASP HBx 1.0 . 4.5 284 194 A 18 THR HG2% A 21 ASP HBy 1.0 . 4.5 285 195 A 19 GLY H A 19 GLY HAx 1.0 . 2.7 286 195 A 19 GLY H A 19 GLY HAy 1.0 . 2.7 287 196 A 19 GLY H A 20 VAL H 1.0 . 2.7 288 197 A 20 VAL H A 19 GLY HAx 1.0 . 2.7 289 197 A 19 GLY HAy A 20 VAL H 1.0 . 2.7 290 198 A 19 GLY HAx A 20 VAL HG2% 1.0 . 4.5 291 198 A 20 VAL HG1% A 19 GLY HAx 1.0 . 4.5 292 198 A 20 VAL HG1% A 19 GLY HAy 1.0 . 4.5 293 198 A 19 GLY HAy A 20 VAL HG2% 1.0 . 4.5 294 199 A 22 ASN HBx A 19 GLY HAx 1.0 . 4.5 295 199 A 19 GLY HAx A 22 ASN HBy 1.0 . 4.5 296 200 A 22 ASN H A 19 GLY HAx 1.0 . 5.5 297 200 A 19 GLY HAy A 22 ASN H 1.0 . 5.5 298 201 A 20 VAL HB A 20 VAL HA 1.0 . 2.7 299 202 A 20 VAL H A 20 VAL HA 1.0 . 2.7 300 203 A 20 VAL HB A 20 VAL H 1.0 . 2.7 301 204 A 20 VAL HG1% A 20 VAL HA 1.0 . 3.5 302 205 A 20 VAL HA A 20 VAL HG2% 1.0 . 2.7 303 206 A 20 VAL HA A 20 VAL HG2% 1.0 . 2.7 304 206 A 20 VAL HG1% A 20 VAL HA 1.0 . 2.7 305 207 A 21 ASP HA A 20 VAL HA 1.0 . 4.5 306 208 A 21 ASP H A 20 VAL HA 1.0 . 3.5 307 209 A 20 VAL HA A 21 ASP HBx 1.0 . 5.5 308 209 A 21 ASP HBy A 20 VAL HA 1.0 . 5.5 309 210 A 20 VAL HB A 21 ASP HA 1.0 . 5.5 310 211 A 20 VAL HB A 21 ASP HBy 1.0 . 5.5 311 212 A 20 VAL HB A 21 ASP HBx 1.0 . 5.5 312 213 A 20 VAL HB A 21 ASP H 1.0 . 3.5 313 214 A 21 ASP H A 20 VAL H 1.0 . 3.5 314 215 A 21 ASP HA A 20 VAL HG2% 1.0 . 3.5 315 215 A 20 VAL HG1% A 21 ASP HA 1.0 . 3.5 316 216 A 21 ASP HBy A 20 VAL HG2% 1.0 . 3.5 317 216 A 20 VAL HG1% A 21 ASP HBy 1.0 . 3.5 318 217 A 20 VAL HG1% A 21 ASP HBx 1.0 . 3.5 319 217 A 20 VAL HG2% A 21 ASP HBx 1.0 . 3.5 320 218 A 20 VAL HG1% A 21 ASP HBx 1.0 . 4.5 321 218 A 20 VAL HG2% A 21 ASP HBx 1.0 . 4.5 322 218 A 21 ASP HBy A 20 VAL HG2% 1.0 . 4.5 323 218 A 20 VAL HG1% A 21 ASP HBy 1.0 . 4.5 324 219 A 20 VAL HA A 23 LEU HA 1.0 . 5.5 325 220 A 20 VAL HA A 23 LEU HBy 1.0 . 3.5 326 221 A 20 VAL HA A 23 LEU HBx 1.0 . 4.5 327 222 A 20 VAL HA A 23 LEU HG 1.0 . 5.5 328 223 A 20 VAL HA A 23 LEU H 1.0 . 5.5 329 224 A 20 VAL HA A 23 LEU HBy 1.0 . 4.5 330 224 A 20 VAL HA A 23 LEU HBx 1.0 . 4.5 331 225 A 20 VAL HA A 23 LEU HDx% 1.0 . 5.5 332 226 A 20 VAL HA A 23 LEU HDy% 1.0 . 5.5 333 227 A 23 LEU HA A 20 VAL HG2% 1.0 . 5.5 334 227 A 20 VAL HG1% A 23 LEU HA 1.0 . 5.5 335 228 A 20 VAL HG2% A 24 GLN HB3 1.0 . 4.5 336 228 A 20 VAL HG1% A 24 GLN HB3 1.0 . 4.5 337 228 A 24 GLN HB2 A 20 VAL HG2% 1.0 . 4.5 338 228 A 20 VAL HG1% A 24 GLN HB2 1.0 . 4.5 339 229 A 20 VAL HG1% A 24 GLN HG2 1.0 . 4.5 340 229 A 20 VAL HG2% A 24 GLN HG2 1.0 . 4.5 341 229 A 24 GLN HG3 A 20 VAL HG2% 1.0 . 4.5 342 229 A 20 VAL HG1% A 24 GLN HG3 1.0 . 4.5 343 230 A 54 TYR HA A 20 VAL HG2% 1.0 . 4.5 344 230 A 20 VAL HG1% A 54 TYR HA 1.0 . 4.5 345 231 A 20 VAL HA A 57 TYR HE% 1.0 . 4.5 346 232 A 57 TYR HA A 20 VAL HG2% 1.0 . 5.5 347 232 A 20 VAL HG1% A 57 TYR HA 1.0 . 5.5 348 233 A 20 VAL HG1% A 57 TYR HBy 1.0 . 5.5 349 233 A 57 TYR HBy A 20 VAL HG2% 1.0 . 5.5 350 234 A 20 VAL HG2% A 57 TYR HBx 1.0 . 5.5 351 234 A 20 VAL HG1% A 57 TYR HBx 1.0 . 5.5 352 235 A 20 VAL HG1% A 58 ARG HDy 1.0 . 3.5 353 235 A 58 ARG HDy A 20 VAL HG2% 1.0 . 3.5 354 236 A 20 VAL HG1% A 58 ARG HDx 1.0 . 3.5 355 236 A 20 VAL HG2% A 58 ARG HDx 1.0 . 3.5 356 237 A 20 VAL HG1% A 58 ARG HB2 1.0 . 4.5 357 237 A 20 VAL HG2% A 58 ARG HB2 1.0 . 4.5 358 237 A 58 ARG HB3 A 20 VAL HG2% 1.0 . 4.5 359 237 A 20 VAL HG1% A 58 ARG HB3 1.0 . 4.5 360 238 A 20 VAL HG2% A 58 ARG HG2 1.0 . 4.5 361 238 A 20 VAL HG1% A 58 ARG HG2 1.0 . 4.5 362 238 A 58 ARG HG3 A 20 VAL HG2% 1.0 . 4.5 363 238 A 20 VAL HG1% A 58 ARG HG3 1.0 . 4.5 364 239 A 21 ASP HA A 21 ASP HBy 1.0 . 2.7 365 240 A 21 ASP HA A 21 ASP HBx 1.0 . 3.5 366 241 A 21 ASP HA A 21 ASP H 1.0 . 2.7 367 242 A 21 ASP H A 21 ASP HBx 1.0 . 2.7 368 242 A 21 ASP H A 21 ASP HBy 1.0 . 2.7 369 243 A 22 ASN H A 21 ASP HBx 1.0 . 3.5 370 243 A 21 ASP HBy A 22 ASN H 1.0 . 3.5 371 244 A 21 ASP HA A 24 GLN HA 1.0 . 5.5 372 245 A 21 ASP HA A 24 GLN H 1.0 . 4.5 373 246 A 21 ASP HA A 24 GLN HB3 1.0 . 2.7 374 246 A 21 ASP HA A 24 GLN HB2 1.0 . 2.7 375 247 A 21 ASP HA A 24 GLN HG2 1.0 . 3.5 376 247 A 21 ASP HA A 24 GLN HG3 1.0 . 3.5 377 248 A 21 ASP HBy A 24 GLN HB2 1.0 . 4.5 378 248 A 21 ASP HBy A 24 GLN HB3 1.0 . 4.5 379 249 A 21 ASP HBy A 24 GLN HG3 1.0 . 4.5 380 249 A 21 ASP HBy A 24 GLN HG2 1.0 . 4.5 381 250 A 24 GLN HB2 A 21 ASP HBx 1.0 . 5.5 382 250 A 21 ASP HBx A 24 GLN HB3 1.0 . 5.5 383 251 A 24 GLN HG3 A 21 ASP HBx 1.0 . 5.5 384 251 A 21 ASP HBx A 24 GLN HG2 1.0 . 5.5 385 252 A 21 ASP HA A 25 THR HG2% 1.0 . 4.5 386 253 A 21 ASP HBy A 25 THR HB 1.0 . 5.5 387 254 A 25 THR HB A 21 ASP HBx 1.0 . 5.5 388 255 A 25 THR HG2% A 21 ASP HBx 1.0 . 5.5 389 255 A 21 ASP HBy A 25 THR HG2% 1.0 . 5.5 390 256 A 22 ASN H A 22 ASN HA 1.0 . 2.7 391 257 A 22 ASN H A 22 ASN HBy 1.0 . 2.7 392 257 A 22 ASN HBx A 22 ASN H 1.0 . 2.7 393 258 A 23 LEU H A 22 ASN HA 1.0 . 3.5 394 259 A 23 LEU HA A 22 ASN HBy 1.0 . 4.5 395 260 A 22 ASN HBx A 23 LEU HA 1.0 . 4.5 396 261 A 22 ASN H A 23 LEU H 1.0 . 3.5 397 262 A 23 LEU HG A 22 ASN HBy 1.0 . 5.5 398 262 A 22 ASN HBx A 23 LEU HG 1.0 . 5.5 399 263 A 23 LEU H A 22 ASN HBy 1.0 . 3.5 400 263 A 22 ASN HBx A 23 LEU H 1.0 . 3.5 401 264 A 22 ASN HA A 25 THR HA 1.0 . 5.5 402 265 A 25 THR HB A 22 ASN HA 1.0 . 3.5 403 266 A 22 ASN HA A 25 THR H 1.0 . 4.5 404 267 A 25 THR HG2% A 22 ASN HBy 1.0 . 3.5 405 267 A 22 ASN HBx A 25 THR HG2% 1.0 . 3.5 406 268 A 22 ASN HA A 26 GLN H 1.0 . 5.5 407 269 A 23 LEU HA A 23 LEU H 1.0 . 2.7 408 270 A 23 LEU H A 23 LEU HBy 1.0 . 2.7 409 270 A 23 LEU H A 23 LEU HBx 1.0 . 2.7 410 271 A 23 LEU HA A 23 LEU HDx% 1.0 . 3.5 411 272 A 23 LEU HA A 24 GLN H 1.0 . 3.5 412 273 A 23 LEU H A 24 GLN H 1.0 . 4.5 413 274 A 24 GLN H A 23 LEU HBy 1.0 . 4.5 414 274 A 23 LEU HBx A 24 GLN H 1.0 . 4.5 415 275 A 23 LEU HA A 25 THR HG2% 1.0 . 5.5 416 276 A 23 LEU HA A 26 GLN HA 1.0 . 5.5 417 277 A 23 LEU HA A 26 GLN HBy 1.0 . 3.5 418 278 A 23 LEU HA A 26 GLN HBx 1.0 . 3.5 419 279 A 23 LEU HA A 26 GLN H 1.0 . 4.5 420 280 A 23 LEU HG A 26 GLN HBy 1.0 . 5.5 421 281 A 23 LEU HDx% A 26 GLN HBx 1.0 . 5.5 422 281 A 23 LEU HDx% A 26 GLN HBy 1.0 . 5.5 423 282 A 23 LEU HDy% A 26 GLN HBx 1.0 . 4.5 424 282 A 23 LEU HDy% A 26 GLN HBy 1.0 . 4.5 425 283 A 23 LEU HA A 27 VAL H 1.0 . 5.5 426 284 A 23 LEU HDx% A 50 LYS HA 1.0 . 4.5 427 285 A 23 LEU HDx% A 50 LYS HBx 1.0 . 5.5 428 286 A 23 LEU HDx% A 50 LYS HEy 1.0 . 4.5 429 287 A 23 LEU HDx% A 50 LYS HEx 1.0 . 4.5 430 288 A 23 LEU HDx% A 50 LYS HD2 1.0 . 5.5 431 288 A 23 LEU HDx% A 50 LYS HD3 1.0 . 5.5 432 289 A 23 LEU HDx% A 50 LYS HGy 1.0 . 5.5 433 289 A 23 LEU HDx% A 50 LYS HGx 1.0 . 5.5 434 290 A 23 LEU HG A 53 GLU HB2 1.0 . 5.5 435 290 A 23 LEU HG A 53 GLU HB3 1.0 . 5.5 436 291 A 23 LEU HBx A 53 GLU HB2 1.0 . 5.5 437 291 A 23 LEU HBy A 53 GLU HB2 1.0 . 5.5 438 291 A 53 GLU HB3 A 23 LEU HBy 1.0 . 5.5 439 291 A 23 LEU HBx A 53 GLU HB3 1.0 . 5.5 440 292 A 23 LEU HDx% A 53 GLU HA 1.0 . 4.5 441 293 A 23 LEU HDx% A 53 GLU HGy 1.0 . 4.5 442 294 A 23 LEU HDx% A 53 GLU HGx 1.0 . 3.5 443 295 A 23 LEU HDx% A 53 GLU HB2 1.0 . 2.7 444 295 A 23 LEU HDx% A 53 GLU HB3 1.0 . 2.7 445 296 A 23 LEU HDx% A 53 GLU HGx 1.0 . 3.5 446 296 A 23 LEU HDx% A 53 GLU HGy 1.0 . 3.5 447 297 A 23 LEU HDy% A 53 GLU HA 1.0 . 4.5 448 298 A 23 LEU HDy% A 53 GLU HGy 1.0 . 5.5 449 299 A 23 LEU HDy% A 53 GLU HGx 1.0 . 3.5 450 300 A 23 LEU HDy% A 53 GLU HB2 1.0 . 2.7 451 300 A 23 LEU HDy% A 53 GLU HB3 1.0 . 2.7 452 301 A 23 LEU HDy% A 53 GLU HGx 1.0 . 3.5 453 301 A 23 LEU HDy% A 53 GLU HGy 1.0 . 3.5 454 302 A 23 LEU HA A 54 TYR HA 1.0 . 5.5 455 303 A 23 LEU HA A 54 TYR HBx 1.0 . 5.5 456 304 A 23 LEU HA A 54 TYR HD% 1.0 . 5.5 457 305 A 54 TYR HA A 23 LEU HBy 1.0 . 4.5 458 306 A 54 TYR HBy A 23 LEU HBy 1.0 . 5.5 459 307 A 23 LEU HBy A 54 TYR HBx 1.0 . 5.5 460 308 A 23 LEU HBx A 54 TYR HA 1.0 . 4.5 461 309 A 23 LEU HBx A 54 TYR HBy 1.0 . 5.5 462 310 A 23 LEU HBx A 54 TYR HBx 1.0 . 5.5 463 311 A 23 LEU HG A 54 TYR HA 1.0 . 4.5 464 312 A 23 LEU HG A 54 TYR HBy 1.0 . 5.5 465 313 A 23 LEU HG A 54 TYR HBx 1.0 . 5.5 466 314 A 23 LEU HG A 54 TYR HBx 1.0 . 5.5 467 314 A 23 LEU HG A 54 TYR HBy 1.0 . 5.5 468 315 A 54 TYR HA A 23 LEU HBy 1.0 . 4.5 469 315 A 23 LEU HBx A 54 TYR HA 1.0 . 4.5 470 316 A 54 TYR HBy A 23 LEU HBy 1.0 . 5.5 471 316 A 23 LEU HBx A 54 TYR HBy 1.0 . 5.5 472 317 A 23 LEU HBx A 54 TYR HBx 1.0 . 5.5 473 317 A 23 LEU HBy A 54 TYR HBx 1.0 . 5.5 474 317 A 54 TYR HBy A 23 LEU HBy 1.0 . 5.5 475 317 A 23 LEU HBx A 54 TYR HBy 1.0 . 5.5 476 318 A 54 TYR HE% A 23 LEU HBy 1.0 . 4.5 477 318 A 23 LEU HBx A 54 TYR HE% 1.0 . 4.5 478 319 A 23 LEU HDx% A 54 TYR HA 1.0 . 2.7 479 320 A 23 LEU HDx% A 54 TYR HBx 1.0 . 5.5 480 320 A 23 LEU HDx% A 54 TYR HBy 1.0 . 5.5 481 321 A 23 LEU HDy% A 54 TYR HA 1.0 . 3.5 482 322 A 23 LEU HDy% A 54 TYR HBy 1.0 . 4.5 483 323 A 23 LEU HDy% A 54 TYR HBx 1.0 . 5.5 484 324 A 23 LEU HDy% A 54 TYR HBx 1.0 . 5.5 485 324 A 23 LEU HDy% A 54 TYR HBy 1.0 . 5.5 486 325 A 23 LEU HA A 57 TYR HBy 1.0 . 5.5 487 326 A 23 LEU HA A 57 TYR HBx 1.0 . 5.5 488 327 A 23 LEU HDx% A 57 TYR HA 1.0 . 5.5 489 328 A 23 LEU HDx% A 57 TYR HBy 1.0 . 4.5 490 329 A 23 LEU HDx% A 57 TYR HBx 1.0 . 4.5 491 330 A 23 LEU HDx% A 57 TYR HBx 1.0 . 3.5 492 330 A 23 LEU HDx% A 57 TYR HBy 1.0 . 3.5 493 331 A 23 LEU HDy% A 57 TYR HA 1.0 . 5.5 494 332 A 23 LEU HDy% A 57 TYR HBy 1.0 . 4.5 495 333 A 23 LEU HDy% A 57 TYR HBx 1.0 . 3.5 496 334 A 23 LEU HDy% A 57 TYR HBx 1.0 . 4.5 497 334 A 23 LEU HDy% A 57 TYR HBy 1.0 . 4.5 498 335 A 24 GLN HB2 A 24 GLN HA 1.0 . 2.7 499 336 A 24 GLN HA A 24 GLN HB3 1.0 . 3.5 500 337 A 24 GLN HA A 24 GLN H 1.0 . 2.7 501 338 A 24 GLN H A 24 GLN HB3 1.0 . 2.7 502 338 A 24 GLN HB2 A 24 GLN H 1.0 . 2.7 503 339 A 24 GLN HA A 24 GLN HG2 1.0 . 2.7 504 339 A 24 GLN HG3 A 24 GLN HA 1.0 . 2.7 505 340 A 24 GLN HA A 25 THR H 1.0 . 4.5 506 341 A 24 GLN H A 25 THR H 1.0 . 3.5 507 342 A 25 THR HA A 24 GLN HB3 1.0 . 5.5 508 342 A 24 GLN HB2 A 25 THR HA 1.0 . 5.5 509 343 A 25 THR H A 24 GLN HB3 1.0 . 2.7 510 343 A 24 GLN HB2 A 25 THR H 1.0 . 2.7 511 344 A 25 THR HA A 24 GLN HG2 1.0 . 4.5 512 344 A 24 GLN HG3 A 25 THR HA 1.0 . 4.5 513 345 A 24 GLN HA A 27 VAL HGx% 1.0 . 4.5 514 346 A 24 GLN HB2 A 27 VAL HGx% 1.0 . 4.5 515 346 A 27 VAL HGx% A 24 GLN HB3 1.0 . 4.5 516 347 A 24 GLN HB3 A 27 VAL HGy% 1.0 . 4.5 517 347 A 24 GLN HB2 A 27 VAL HGy% 1.0 . 4.5 518 348 A 24 GLN HG3 A 27 VAL HGx% 1.0 . 4.5 519 348 A 27 VAL HGx% A 24 GLN HG2 1.0 . 4.5 520 349 A 24 GLN HG3 A 27 VAL HGy% 1.0 . 4.5 521 349 A 24 GLN HG2 A 27 VAL HGy% 1.0 . 4.5 522 350 A 28 THR HG2% A 24 GLN HB3 1.0 . 5.5 523 350 A 24 GLN HB2 A 28 THR HG2% 1.0 . 5.5 524 351 A 28 THR HB A 24 GLN HG2 1.0 . 4.5 525 351 A 24 GLN HG3 A 28 THR HB 1.0 . 4.5 526 352 A 28 THR HG2% A 24 GLN HG2 1.0 . 4.5 527 352 A 24 GLN HG3 A 28 THR HG2% 1.0 . 4.5 528 353 A 24 GLN HB2 A 54 TYR HE% 1.0 . 5.5 529 354 A 54 TYR HD% A 24 GLN HB3 1.0 . 5.5 530 354 A 24 GLN HB2 A 54 TYR HD% 1.0 . 5.5 531 355 A 25 THR HB A 25 THR HA 1.0 . 2.7 532 356 A 25 THR HA A 25 THR H 1.0 . 2.7 533 357 A 25 THR HB A 25 THR H 1.0 . 2.7 534 358 A 25 THR HG2% A 25 THR HA 1.0 . 3.5 535 359 A 25 THR HG2% A 25 THR H 1.0 . 2.7 536 360 A 25 THR HA A 26 GLN H 1.0 . 3.5 537 361 A 25 THR HB A 26 GLN H 1.0 . 3.5 538 362 A 25 THR H A 26 GLN H 1.0 . 2.7 539 363 A 25 THR HG2% A 26 GLN HA 1.0 . 3.5 540 364 A 25 THR HG2% A 26 GLN HBx 1.0 . 4.5 541 364 A 25 THR HG2% A 26 GLN HBy 1.0 . 4.5 542 365 A 25 THR HA A 28 THR HB 1.0 . 2.7 543 366 A 25 THR HA A 28 THR H 1.0 . 4.5 544 367 A 25 THR HA A 29 GLU HBy 1.0 . 5.5 545 368 A 25 THR HA A 29 GLU HGy 1.0 . 5.5 546 369 A 25 THR HA A 29 GLU HGx 1.0 . 4.5 547 370 A 25 THR HA A 29 GLU H 1.0 . 5.5 548 371 A 25 THR HB A 29 GLU HGx 1.0 . 5.5 549 372 A 26 GLN HA A 26 GLN HGx 1.0 . 2.7 550 373 A 26 GLN H A 26 GLN HA 1.0 . 2.7 551 374 A 26 GLN H A 26 GLN HBx 1.0 . 2.7 552 374 A 26 GLN H A 26 GLN HBy 1.0 . 2.7 553 375 A 26 GLN HA A 27 VAL H 1.0 . 3.5 554 376 A 26 GLN HA A 27 VAL HGx% 1.0 . 5.5 555 377 A 26 GLN H A 27 VAL H 1.0 . 3.5 556 378 A 27 VAL H A 26 GLN HBx 1.0 . 4.5 557 378 A 26 GLN HBy A 27 VAL H 1.0 . 4.5 558 379 A 26 GLN HBy A 27 VAL HGx% 1.0 . 4.5 559 379 A 27 VAL HGx% A 26 GLN HBx 1.0 . 4.5 560 380 A 27 VAL HGx% A 26 GLN HGx 1.0 . 5.5 561 380 A 26 GLN HGy A 27 VAL HGx% 1.0 . 5.5 562 381 A 26 GLN HA A 29 GLU HBy 1.0 . 2.7 563 382 A 26 GLN HA A 29 GLU HBx 1.0 . 4.5 564 383 A 26 GLN HBx A 29 GLU HBy 1.0 . 5.5 565 383 A 26 GLN HBy A 29 GLU HBy 1.0 . 5.5 566 384 A 26 GLN HA A 50 LYS HEy 1.0 . 5.5 567 384 A 26 GLN HA A 50 LYS HEx 1.0 . 5.5 568 385 A 26 GLN HA A 50 LYS HGy 1.0 . 5.5 569 385 A 26 GLN HA A 50 LYS HGx 1.0 . 5.5 570 386 A 26 GLN HBy A 50 LYS HEy 1.0 . 5.5 571 386 A 50 LYS HEx A 26 GLN HBx 1.0 . 5.5 572 386 A 26 GLN HBy A 50 LYS HEx 1.0 . 5.5 573 386 A 26 GLN HBx A 50 LYS HEy 1.0 . 5.5 574 387 A 26 GLN HBx A 50 LYS HGy 1.0 . 5.5 575 387 A 50 LYS HGx A 26 GLN HBx 1.0 . 5.5 576 387 A 26 GLN HBy A 50 LYS HGx 1.0 . 5.5 577 387 A 26 GLN HBy A 50 LYS HGy 1.0 . 5.5 578 388 A 26 GLN HGx A 50 LYS HEy 1.0 . 5.5 579 388 A 26 GLN HGy A 50 LYS HEy 1.0 . 5.5 580 388 A 50 LYS HEx A 26 GLN HGx 1.0 . 5.5 581 388 A 26 GLN HGy A 50 LYS HEx 1.0 . 5.5 582 389 A 26 GLN HGy A 50 LYS HGy 1.0 . 4.5 583 389 A 26 GLN HGx A 50 LYS HGy 1.0 . 4.5 584 389 A 50 LYS HGx A 26 GLN HGx 1.0 . 4.5 585 389 A 50 LYS HGx A 26 GLN HGy 1.0 . 4.5 586 390 A 27 VAL HB A 27 VAL HA 1.0 . 2.7 587 391 A 27 VAL H A 27 VAL HA 1.0 . 2.7 588 392 A 27 VAL H A 27 VAL HB 1.0 . 3.5 589 393 A 27 VAL HA A 27 VAL HGx% 1.0 . 2.7 590 394 A 27 VAL HA A 27 VAL HGy% 1.0 . 3.5 591 395 A 27 VAL HA A 27 VAL HGy% 1.0 . 2.7 592 395 A 27 VAL HA A 27 VAL HGx% 1.0 . 2.7 593 396 A 28 THR H A 27 VAL HA 1.0 . 4.5 594 397 A 28 THR H A 27 VAL HB 1.0 . 4.5 595 398 A 27 VAL H A 28 THR H 1.0 . 2.7 596 399 A 28 THR HB A 27 VAL HGy% 1.0 . 4.5 597 400 A 27 VAL HA A 30 ALA H 1.0 . 5.5 598 401 A 27 VAL HA A 30 ALA HB% 1.0 . 3.5 599 402 A 27 VAL HA A 31 LEU H 1.0 . 5.5 600 403 A 27 VAL HB A 31 LEU HDy% 1.0 . 5.5 601 404 A 31 LEU HDx% A 27 VAL HGy% 1.0 . 5.5 602 405 A 31 LEU HDy% A 27 VAL HGy% 1.0 . 5.5 603 406 A 50 LYS HA A 27 VAL HA 1.0 . 5.5 604 407 A 27 VAL HA A 50 LYS HBy 1.0 . 5.5 605 408 A 27 VAL HA A 50 LYS HBx 1.0 . 5.5 606 409 A 27 VAL HA A 50 LYS HEy 1.0 . 4.5 607 410 A 50 LYS HEx A 27 VAL HA 1.0 . 4.5 608 411 A 27 VAL HA A 50 LYS HGy 1.0 . 3.5 609 411 A 50 LYS HGx A 27 VAL HA 1.0 . 3.5 610 412 A 27 VAL HB A 50 LYS HGy 1.0 . 5.5 611 412 A 50 LYS HGx A 27 VAL HB 1.0 . 5.5 612 413 A 50 LYS HA A 27 VAL HGx% 1.0 . 3.5 613 414 A 27 VAL HGx% A 50 LYS HBy 1.0 . 3.5 614 415 A 27 VAL HGx% A 50 LYS HBx 1.0 . 3.5 615 416 A 27 VAL HGx% A 50 LYS HEy 1.0 . 3.5 616 417 A 50 LYS HEx A 27 VAL HGx% 1.0 . 3.5 617 418 A 50 LYS HD3 A 27 VAL HGx% 1.0 . 3.5 618 418 A 27 VAL HGx% A 50 LYS HD2 1.0 . 3.5 619 419 A 50 LYS HGx A 27 VAL HGx% 1.0 . 4.5 620 419 A 27 VAL HGx% A 50 LYS HGy 1.0 . 4.5 621 420 A 50 LYS HBy A 27 VAL HGy% 1.0 . 4.5 622 421 A 27 VAL HGy% A 50 LYS HBx 1.0 . 4.5 623 422 A 27 VAL HGx% A 51 LEU HA 1.0 . 2.7 624 423 A 27 VAL HB A 54 TYR HBx 1.0 . 5.5 625 424 A 54 TYR HBy A 27 VAL HGx% 1.0 . 3.5 626 425 A 27 VAL HGx% A 54 TYR HBx 1.0 . 3.5 627 426 A 54 TYR HBy A 27 VAL HGy% 1.0 . 5.5 628 427 A 28 THR HB A 28 THR HA 1.0 . 3.5 629 428 A 28 THR H A 28 THR HA 1.0 . 2.7 630 429 A 28 THR HB A 28 THR H 1.0 . 2.7 631 430 A 28 THR HG2% A 28 THR HA 1.0 . 2.7 632 431 A 28 THR HA A 29 GLU HA 1.0 . 5.5 633 432 A 29 GLU H A 28 THR HA 1.0 . 3.5 634 433 A 28 THR HB A 29 GLU HA 1.0 . 4.5 635 434 A 28 THR HB A 29 GLU HBy 1.0 . 5.5 636 435 A 28 THR HB A 29 GLU HBx 1.0 . 5.5 637 436 A 28 THR HB A 29 GLU HGy 1.0 . 4.5 638 437 A 28 THR HB A 29 GLU HGx 1.0 . 3.5 639 438 A 28 THR HB A 29 GLU H 1.0 . 3.5 640 439 A 28 THR H A 29 GLU H 1.0 . 2.7 641 440 A 28 THR HG2% A 29 GLU HA 1.0 . 3.5 642 441 A 28 THR HG2% A 29 GLU HBy 1.0 . 5.5 643 442 A 28 THR HG2% A 29 GLU HBx 1.0 . 5.5 644 443 A 28 THR H A 30 ALA H 1.0 . 5.5 645 444 A 28 THR HG2% A 30 ALA HB% 1.0 . 5.5 646 445 A 28 THR HA A 31 LEU HA 1.0 . 5.5 647 446 A 28 THR HA A 31 LEU HBy 1.0 . 3.5 648 447 A 28 THR HA A 31 LEU HBx 1.0 . 3.5 649 448 A 28 THR HA A 31 LEU HG 1.0 . 4.5 650 449 A 31 LEU H A 28 THR HA 1.0 . 4.5 651 450 A 28 THR HA A 31 LEU HBy 1.0 . 2.7 652 450 A 28 THR HA A 31 LEU HBx 1.0 . 2.7 653 451 A 31 LEU HDx% A 28 THR HA 1.0 . 4.5 654 452 A 31 LEU HDy% A 28 THR HA 1.0 . 3.5 655 453 A 28 THR HB A 31 LEU HDy% 1.0 . 4.5 656 454 A 28 THR HG2% A 31 LEU HA 1.0 . 5.5 657 455 A 28 THR HG2% A 31 LEU HBy 1.0 . 4.5 658 456 A 28 THR HG2% A 31 LEU HBx 1.0 . 4.5 659 457 A 28 THR HG2% A 31 LEU HG 1.0 . 4.5 660 458 A 28 THR HG2% A 31 LEU HDx% 1.0 . 4.5 661 459 A 28 THR HG2% A 31 LEU HDy% 1.0 . 3.5 662 460 A 28 THR HA A 32 ASP H 1.0 . 5.5 663 461 A 28 THR HG2% A 32 ASP HA 1.0 . 5.5 664 462 A 28 THR HG2% A 32 ASP HBy 1.0 . 5.5 665 463 A 28 THR HG2% A 32 ASP HBx 1.0 . 5.5 666 464 A 29 GLU HA A 29 GLU HBy 1.0 . 3.5 667 465 A 29 GLU HA A 29 GLU HBx 1.0 . 2.7 668 466 A 29 GLU HGx A 29 GLU HA 1.0 . 2.7 669 467 A 29 GLU H A 29 GLU HA 1.0 . 2.7 670 468 A 29 GLU H A 29 GLU HBx 1.0 . 3.5 671 469 A 29 GLU H A 29 GLU HBy 1.0 . 2.7 672 469 A 29 GLU H A 29 GLU HBx 1.0 . 2.7 673 470 A 29 GLU H A 30 ALA H 1.0 . 2.7 674 471 A 30 ALA H A 29 GLU HBy 1.0 . 4.5 675 471 A 30 ALA H A 29 GLU HBx 1.0 . 4.5 676 472 A 29 GLU H A 31 LEU H 1.0 . 5.5 677 473 A 29 GLU HA A 32 ASP H 1.0 . 4.5 678 474 A 29 GLU HA A 32 ASP HBx 1.0 . 2.7 679 474 A 29 GLU HA A 32 ASP HBy 1.0 . 2.7 680 475 A 32 ASP HBy A 29 GLU HBy 1.0 . 5.5 681 476 A 29 GLU HBy A 32 ASP HBx 1.0 . 4.5 682 477 A 29 GLU HBx A 32 ASP HBy 1.0 . 5.5 683 478 A 29 GLU HBx A 32 ASP HBx 1.0 . 4.5 684 479 A 33 LYS HD2 A 29 GLU HBy 1.0 . 5.5 685 479 A 29 GLU HBy A 33 LYS HD3 1.0 . 5.5 686 480 A 33 LYS HE3 A 29 GLU HBy 1.0 . 4.5 687 480 A 29 GLU HBy A 33 LYS HE2 1.0 . 4.5 688 481 A 29 GLU HBx A 33 LYS HE3 1.0 . 4.5 689 481 A 29 GLU HBx A 33 LYS HE2 1.0 . 4.5 690 482 A 29 GLU HGy A 33 LYS HD3 1.0 . 5.5 691 483 A 30 ALA H A 30 ALA HA 1.0 . 2.7 692 484 A 30 ALA H A 30 ALA HB% 1.0 . 2.7 693 485 A 31 LEU H A 30 ALA HA 1.0 . 3.5 694 486 A 30 ALA H A 31 LEU H 1.0 . 3.5 695 487 A 30 ALA HB% A 31 LEU HA 1.0 . 5.5 696 488 A 30 ALA HB% A 31 LEU H 1.0 . 2.7 697 489 A 30 ALA H A 32 ASP H 1.0 . 5.5 698 490 A 30 ALA HA A 33 LYS HA 1.0 . 5.5 699 491 A 30 ALA HA A 33 LYS HGy 1.0 . 4.5 700 492 A 30 ALA HA A 33 LYS HGx 1.0 . 3.5 701 493 A 30 ALA HA A 33 LYS H 1.0 . 4.5 702 494 A 30 ALA HA A 33 LYS HB3 1.0 . 3.5 703 494 A 30 ALA HA A 33 LYS HB2 1.0 . 3.5 704 495 A 30 ALA HA A 33 LYS HE2 1.0 . 4.5 705 495 A 33 LYS HE3 A 30 ALA HA 1.0 . 4.5 706 496 A 30 ALA HB% A 33 LYS HB3 1.0 . 4.5 707 496 A 30 ALA HB% A 33 LYS HB2 1.0 . 4.5 708 497 A 30 ALA HB% A 33 LYS HE2 1.0 . 4.5 709 497 A 30 ALA HB% A 33 LYS HE3 1.0 . 4.5 710 498 A 30 ALA HA A 34 LEU H 1.0 . 4.5 711 499 A 30 ALA HA A 34 LEU HDx% 1.0 . 5.5 712 500 A 30 ALA HB% A 34 LEU HDx% 1.0 . 4.5 713 501 A 30 ALA HB% A 47 TYR HA 1.0 . 2.7 714 502 A 30 ALA HB% A 47 TYR HBy 1.0 . 3.5 715 503 A 30 ALA HB% A 47 TYR HBx 1.0 . 3.5 716 504 A 30 ALA HA A 50 LYS HBy 1.0 . 5.5 717 505 A 30 ALA HB% A 50 LYS HBy 1.0 . 3.5 718 506 A 30 ALA HB% A 50 LYS HBx 1.0 . 4.5 719 507 A 50 LYS HEx A 30 ALA HB% 1.0 . 5.5 720 508 A 30 ALA HB% A 50 LYS HGy 1.0 . 3.5 721 508 A 50 LYS HGx A 30 ALA HB% 1.0 . 3.5 722 509 A 30 ALA HB% A 51 LEU HBx 1.0 . 5.5 723 510 A 30 ALA HB% A 51 LEU HDx% 1.0 . 5.5 724 511 A 31 LEU HA A 31 LEU HBy 1.0 . 2.7 725 512 A 31 LEU HA A 31 LEU HBx 1.0 . 3.5 726 513 A 31 LEU H A 31 LEU HA 1.0 . 2.7 727 514 A 31 LEU H A 31 LEU HBy 1.0 . 2.7 728 514 A 31 LEU H A 31 LEU HBx 1.0 . 2.7 729 515 A 31 LEU HDx% A 31 LEU HA 1.0 . 2.7 730 516 A 31 LEU HDx% A 31 LEU HBy 1.0 . 3.5 731 517 A 31 LEU HDx% A 31 LEU HBx 1.0 . 3.5 732 518 A 31 LEU HDy% A 31 LEU HBy 1.0 . 2.7 733 519 A 31 LEU HA A 32 ASP H 1.0 . 4.5 734 520 A 31 LEU H A 32 ASP H 1.0 . 3.5 735 521 A 32 ASP H A 31 LEU HBy 1.0 . 3.5 736 521 A 31 LEU HBx A 32 ASP H 1.0 . 3.5 737 522 A 31 LEU HDx% A 32 ASP HA 1.0 . 5.5 738 523 A 31 LEU HDy% A 32 ASP HA 1.0 . 4.5 739 524 A 31 LEU H A 33 LYS H 1.0 . 5.5 740 525 A 31 LEU HA A 34 LEU HA 1.0 . 5.5 741 526 A 31 LEU HA A 34 LEU HBy 1.0 . 2.7 742 527 A 31 LEU HA A 34 LEU HBx 1.0 . 2.7 743 528 A 31 LEU HA A 34 LEU H 1.0 . 4.5 744 529 A 31 LEU HDx% A 34 LEU HBy 1.0 . 4.5 745 530 A 31 LEU HDx% A 34 LEU HDx% 1.0 . 3.5 746 531 A 31 LEU HDx% A 35 ALA HA 1.0 . 5.5 747 532 A 31 LEU HDx% A 35 ALA HB% 1.0 . 3.5 748 533 A 31 LEU HDy% A 35 ALA HA 1.0 . 5.5 749 534 A 31 LEU HDy% A 35 ALA HB% 1.0 . 3.5 750 535 A 31 LEU HDx% A 44 LEU HA 1.0 . 5.5 751 536 A 47 TYR HD% A 31 LEU HBy 1.0 . 5.5 752 537 A 31 LEU HDx% A 47 TYR HA 1.0 . 5.5 753 538 A 31 LEU HDx% A 51 LEU HDx% 1.0 . 5.5 754 539 A 32 ASP HA A 32 ASP HBy 1.0 . 2.7 755 540 A 32 ASP HA A 32 ASP HBx 1.0 . 3.5 756 541 A 32 ASP H A 32 ASP HA 1.0 . 2.7 757 542 A 32 ASP H A 32 ASP HBx 1.0 . 2.7 758 542 A 32 ASP H A 32 ASP HBy 1.0 . 2.7 759 543 A 32 ASP HA A 33 LYS H 1.0 . 4.5 760 544 A 32 ASP H A 33 LYS H 1.0 . 3.5 761 545 A 33 LYS H A 32 ASP HBx 1.0 . 3.5 762 545 A 32 ASP HBy A 33 LYS H 1.0 . 3.5 763 546 A 32 ASP H A 34 LEU H 1.0 . 4.5 764 547 A 32 ASP HA A 35 ALA HB% 1.0 . 2.7 765 548 A 32 ASP HBy A 35 ALA HB% 1.0 . 5.5 766 549 A 35 ALA HB% A 32 ASP HBx 1.0 . 5.5 767 550 A 33 LYS HA A 33 LYS HB2 1.0 . 3.5 768 551 A 33 LYS HA A 33 LYS HB3 1.0 . 2.7 769 552 A 33 LYS HA A 33 LYS H 1.0 . 2.7 770 553 A 33 LYS H A 33 LYS HB3 1.0 . 3.5 771 554 A 33 LYS H A 33 LYS HB3 1.0 . 2.7 772 554 A 33 LYS H A 33 LYS HB2 1.0 . 2.7 773 555 A 33 LYS HA A 33 LYS HD3 1.0 . 3.5 774 555 A 33 LYS HD2 A 33 LYS HA 1.0 . 3.5 775 556 A 33 LYS HA A 33 LYS HE2 1.0 . 4.5 776 556 A 33 LYS HE3 A 33 LYS HA 1.0 . 4.5 777 557 A 33 LYS HB3 A 33 LYS HE2 1.0 . 4.5 778 557 A 33 LYS HB2 A 33 LYS HE2 1.0 . 4.5 779 557 A 33 LYS HE3 A 33 LYS HB3 1.0 . 4.5 780 557 A 33 LYS HE3 A 33 LYS HB2 1.0 . 4.5 781 558 A 33 LYS H A 34 LEU H 1.0 . 3.5 782 559 A 34 LEU H A 33 LYS HB3 1.0 . 2.7 783 559 A 33 LYS HB2 A 34 LEU H 1.0 . 2.7 784 560 A 33 LYS H A 35 ALA H 1.0 . 5.5 785 561 A 33 LYS HA A 36 ALA HB% 1.0 . 3.5 786 562 A 33 LYS HB2 A 36 ALA HB% 1.0 . 4.5 787 563 A 36 ALA HB% A 33 LYS HB3 1.0 . 3.5 788 564 A 33 LYS HA A 43 LEU HBx 1.0 . 5.5 789 565 A 33 LYS HA A 43 LEU HDx% 1.0 . 3.5 790 566 A 33 LYS HA A 43 LEU HDy% 1.0 . 3.5 791 567 A 33 LYS HGy A 43 LEU HDx% 1.0 . 4.5 792 568 A 33 LYS HGy A 43 LEU HDy% 1.0 . 4.5 793 569 A 33 LYS HGx A 43 LEU HDx% 1.0 . 4.5 794 570 A 33 LYS HGx A 43 LEU HDy% 1.0 . 4.5 795 571 A 33 LYS HB2 A 43 LEU HBx 1.0 . 5.5 796 571 A 43 LEU HBx A 33 LYS HB3 1.0 . 5.5 797 572 A 43 LEU HDx% A 33 LYS HB3 1.0 . 3.5 798 572 A 33 LYS HB2 A 43 LEU HDx% 1.0 . 3.5 799 573 A 43 LEU HDy% A 33 LYS HB3 1.0 . 3.5 800 573 A 33 LYS HB2 A 43 LEU HDy% 1.0 . 3.5 801 574 A 43 LEU HDx% A 33 LYS HD3 1.0 . 4.5 802 574 A 33 LYS HD2 A 43 LEU HDx% 1.0 . 4.5 803 575 A 43 LEU HDy% A 33 LYS HD3 1.0 . 4.5 804 575 A 33 LYS HD2 A 43 LEU HDy% 1.0 . 4.5 805 576 A 43 LEU HDx% A 33 LYS HE2 1.0 . 5.5 806 576 A 33 LYS HE3 A 43 LEU HDx% 1.0 . 5.5 807 577 A 43 LEU HDy% A 33 LYS HE2 1.0 . 5.5 808 577 A 33 LYS HE3 A 43 LEU HDy% 1.0 . 5.5 809 578 A 34 LEU H A 34 LEU HA 1.0 . 2.7 810 579 A 34 LEU H A 34 LEU HBy 1.0 . 2.7 811 579 A 34 LEU H A 34 LEU HBx 1.0 . 2.7 812 580 A 34 LEU HDx% A 34 LEU HA 1.0 . 3.5 813 581 A 34 LEU HA A 34 LEU HDy% 1.0 . 3.5 814 582 A 35 ALA HA A 34 LEU HDy% 1.0 . 4.5 815 583 A 34 LEU HA A 37 LYS HBx 1.0 . 4.5 816 583 A 34 LEU HA A 37 LYS HBy 1.0 . 4.5 817 584 A 34 LEU HA A 38 PRO HA 1.0 . 4.5 818 585 A 38 PRO HA A 34 LEU HG 1.0 . 3.5 819 586 A 34 LEU HG A 38 PRO HBy 1.0 . 5.5 820 587 A 34 LEU HG A 38 PRO HBx 1.0 . 5.5 821 588 A 34 LEU HDx% A 38 PRO HA 1.0 . 4.5 822 589 A 34 LEU HDx% A 38 PRO HBy 1.0 . 5.5 823 590 A 34 LEU HDx% A 38 PRO HBx 1.0 . 4.5 824 591 A 34 LEU HDy% A 38 PRO HA 1.0 . 2.7 825 592 A 34 LEU HDy% A 38 PRO HBy 1.0 . 3.5 826 593 A 34 LEU HDy% A 38 PRO HBx 1.0 . 3.5 827 594 A 34 LEU HDy% A 39 SER HA 1.0 . 4.5 828 595 A 34 LEU HDx% A 41 PRO HA 1.0 . 5.5 829 596 A 34 LEU HA A 43 LEU HBy 1.0 . 4.5 830 597 A 34 LEU HA A 43 LEU HG 1.0 . 4.5 831 598 A 34 LEU HA A 43 LEU HDy% 1.0 . 3.5 832 599 A 43 LEU HDy% A 34 LEU HBy 1.0 . 4.5 833 600 A 43 LEU HDy% A 34 LEU HBx 1.0 . 5.5 834 601 A 34 LEU HDx% A 43 LEU HA 1.0 . 5.5 835 602 A 34 LEU HDx% A 43 LEU HBy 1.0 . 5.5 836 603 A 34 LEU HDx% A 43 LEU HDy% 1.0 . 5.5 837 604 A 34 LEU HA A 44 LEU HA 1.0 . 4.5 838 605 A 34 LEU HG A 44 LEU HDx% 1.0 . 5.5 839 606 A 34 LEU HG A 44 LEU HDy% 1.0 . 4.5 840 607 A 34 LEU HDx% A 44 LEU HA 1.0 . 3.5 841 608 A 34 LEU HDx% A 44 LEU HBy 1.0 . 3.5 842 609 A 34 LEU HDx% A 44 LEU HBx 1.0 . 3.5 843 610 A 34 LEU HDx% A 44 LEU HDx% 1.0 . 4.5 844 611 A 34 LEU HDx% A 44 LEU HDy% 1.0 . 2.7 845 612 A 44 LEU HA A 34 LEU HDy% 1.0 . 3.5 846 613 A 34 LEU HDy% A 44 LEU HBy 1.0 . 2.7 847 614 A 34 LEU HDy% A 44 LEU HBx 1.0 . 3.5 848 615 A 34 LEU HDy% A 44 LEU HG 1.0 . 3.5 849 616 A 34 LEU HDx% A 47 TYR HA 1.0 . 4.5 850 617 A 34 LEU HDx% A 47 TYR HBy 1.0 . 3.5 851 618 A 34 LEU HDx% A 47 TYR HBx 1.0 . 3.5 852 619 A 34 LEU HDy% A 47 TYR HBy 1.0 . 5.5 853 620 A 34 LEU HDy% A 47 TYR HBx 1.0 . 5.5 854 621 A 35 ALA HA A 36 ALA HB% 1.0 . 5.5 855 622 A 35 ALA HB% A 36 ALA HA 1.0 . 4.5 856 623 A 35 ALA HA A 38 PRO HBx 1.0 . 5.5 857 623 A 35 ALA HA A 38 PRO HBy 1.0 . 5.5 858 624 A 35 ALA HA A 38 PRO HG2 1.0 . 5.5 859 624 A 35 ALA HA A 38 PRO HG3 1.0 . 5.5 860 625 A 35 ALA HB% A 38 PRO HBx 1.0 . 5.5 861 626 A 36 ALA HA A 37 LYS HA 1.0 . 5.5 862 627 A 37 LYS HBy A 36 ALA HA 1.0 . 5.5 863 628 A 36 ALA HA A 37 LYS H 1.0 . 4.5 864 629 A 36 ALA HB% A 37 LYS H 1.0 . 3.5 865 630 A 36 ALA HA A 38 PRO HDy 1.0 . 5.5 866 631 A 36 ALA HA A 38 PRO HDx 1.0 . 4.5 867 632 A 36 ALA HA A 38 PRO HG2 1.0 . 5.5 868 632 A 36 ALA HA A 38 PRO HG3 1.0 . 5.5 869 633 A 36 ALA HB% A 38 PRO HA 1.0 . 5.5 870 634 A 36 ALA HB% A 38 PRO HDy 1.0 . 5.5 871 635 A 36 ALA HB% A 38 PRO HDx 1.0 . 5.5 872 636 A 43 LEU HDy% A 36 ALA HA 1.0 . 5.5 873 637 A 37 LYS HBy A 37 LYS HA 1.0 . 3.5 874 638 A 37 LYS HA A 37 LYS HBx 1.0 . 3.5 875 639 A 37 LYS HBy A 37 LYS HEy 1.0 . 4.5 876 640 A 37 LYS HEy A 37 LYS HBx 1.0 . 4.5 877 641 A 37 LYS HBy A 37 LYS HEx 1.0 . 4.5 878 642 A 37 LYS HEx A 37 LYS HBx 1.0 . 4.5 879 643 A 37 LYS HA A 37 LYS H 1.0 . 3.5 880 644 A 37 LYS H A 37 LYS HBx 1.0 . 3.5 881 644 A 37 LYS HBy A 37 LYS H 1.0 . 3.5 882 645 A 37 LYS HBy A 37 LYS HD3 1.0 . 4.5 883 645 A 37 LYS HBy A 37 LYS HD2 1.0 . 4.5 884 646 A 37 LYS HA A 37 LYS HG2 1.0 . 3.5 885 646 A 37 LYS HA A 37 LYS HG3 1.0 . 3.5 886 647 A 38 PRO HDx A 37 LYS HBx 1.0 . 4.5 887 648 A 38 PRO HDy A 37 LYS HG2 1.0 . 4.5 888 648 A 38 PRO HDy A 37 LYS HG3 1.0 . 4.5 889 649 A 38 PRO HDx A 37 LYS HG2 1.0 . 5.5 890 649 A 38 PRO HDx A 37 LYS HG3 1.0 . 5.5 891 650 A 37 LYS HG2 A 38 PRO HG2 1.0 . 5.5 892 650 A 37 LYS HG3 A 38 PRO HG2 1.0 . 5.5 893 650 A 38 PRO HG3 A 37 LYS HG2 1.0 . 5.5 894 650 A 38 PRO HG3 A 37 LYS HG3 1.0 . 5.5 895 651 A 37 LYS HA A 40 ASP H 1.0 . 5.5 896 652 A 37 LYS HBy A 40 ASP HBy 1.0 . 4.5 897 653 A 37 LYS HBy A 40 ASP HBx 1.0 . 4.5 898 654 A 40 ASP HA A 37 LYS HBx 1.0 . 5.5 899 655 A 40 ASP HBy A 37 LYS HBx 1.0 . 3.5 900 656 A 37 LYS HBx A 40 ASP HBx 1.0 . 5.5 901 657 A 40 ASP HA A 37 LYS HD2 1.0 . 4.5 902 657 A 37 LYS HD3 A 40 ASP HA 1.0 . 4.5 903 658 A 37 LYS HD3 A 40 ASP HBy 1.0 . 4.5 904 658 A 40 ASP HBy A 37 LYS HD2 1.0 . 4.5 905 659 A 37 LYS HD3 A 40 ASP HBx 1.0 . 4.5 906 659 A 37 LYS HD2 A 40 ASP HBx 1.0 . 4.5 907 660 A 40 ASP HA A 37 LYS HG2 1.0 . 4.5 908 660 A 37 LYS HG3 A 40 ASP HA 1.0 . 4.5 909 661 A 37 LYS HG3 A 40 ASP HBy 1.0 . 3.5 910 661 A 40 ASP HBy A 37 LYS HG2 1.0 . 3.5 911 662 A 37 LYS HG2 A 40 ASP HBx 1.0 . 3.5 912 662 A 37 LYS HG3 A 40 ASP HBx 1.0 . 3.5 913 663 A 43 LEU HDy% A 37 LYS HA 1.0 . 4.5 914 664 A 43 LEU HDy% A 37 LYS HBy 1.0 . 3.5 915 665 A 43 LEU HDx% A 37 LYS HBx 1.0 . 3.5 916 666 A 43 LEU HDy% A 37 LYS HBx 1.0 . 2.7 917 667 A 43 LEU HDy% A 37 LYS HEy 1.0 . 5.5 918 668 A 43 LEU HDx% A 37 LYS HD2 1.0 . 4.5 919 668 A 43 LEU HDx% A 37 LYS HD3 1.0 . 4.5 920 669 A 43 LEU HDy% A 37 LYS HD2 1.0 . 3.5 921 669 A 43 LEU HDy% A 37 LYS HD3 1.0 . 3.5 922 670 A 43 LEU HDy% A 37 LYS HG2 1.0 . 3.5 923 670 A 43 LEU HDy% A 37 LYS HG3 1.0 . 3.5 924 671 A 38 PRO HA A 39 SER H 1.0 . 3.5 925 672 A 39 SER H A 38 PRO HBx 1.0 . 4.5 926 672 A 38 PRO HBy A 39 SER H 1.0 . 4.5 927 673 A 43 LEU HDx% A 38 PRO HA 1.0 . 3.5 928 674 A 43 LEU HDy% A 38 PRO HA 1.0 . 3.5 929 675 A 43 LEU HDx% A 38 PRO HBy 1.0 . 5.5 930 676 A 43 LEU HDx% A 38 PRO HBx 1.0 . 4.5 931 677 A 43 LEU HDy% A 38 PRO HBx 1.0 . 5.5 932 678 A 43 LEU HDy% A 38 PRO HDx 1.0 . 5.5 933 679 A 43 LEU HDy% A 38 PRO HG2 1.0 . 5.5 934 679 A 43 LEU HDy% A 38 PRO HG3 1.0 . 5.5 935 680 A 38 PRO HA A 44 LEU HDy% 1.0 . 5.5 936 681 A 39 SER HA A 39 SER H 1.0 . 2.7 937 682 A 39 SER H A 39 SER HBy 1.0 . 3.5 938 683 A 39 SER H A 39 SER HBx 1.0 . 2.7 939 684 A 39 SER HA A 39 SER HBy 1.0 . 2.7 940 684 A 39 SER HA A 39 SER HBx 1.0 . 2.7 941 685 A 39 SER H A 39 SER HBy 1.0 . 2.7 942 685 A 39 SER H A 39 SER HBx 1.0 . 2.7 943 686 A 39 SER HA A 40 ASP H 1.0 . 3.5 944 687 A 40 ASP H A 39 SER H 1.0 . 2.7 945 688 A 40 ASP H A 39 SER HBy 1.0 . 4.5 946 688 A 40 ASP H A 39 SER HBx 1.0 . 4.5 947 689 A 39 SER HA A 44 LEU HDx% 1.0 . 4.5 948 690 A 39 SER HA A 44 LEU HDy% 1.0 . 3.5 949 691 A 44 LEU HDx% A 39 SER HBy 1.0 . 5.5 950 692 A 44 LEU HDy% A 39 SER HBy 1.0 . 4.5 951 693 A 44 LEU HDx% A 39 SER HBx 1.0 . 5.5 952 694 A 44 LEU HDy% A 39 SER HBx 1.0 . 4.5 953 695 A 40 ASP HA A 40 ASP HBy 1.0 . 2.7 954 696 A 40 ASP HA A 40 ASP HBx 1.0 . 3.5 955 697 A 40 ASP H A 40 ASP HA 1.0 . 2.7 956 698 A 40 ASP H A 40 ASP HBx 1.0 . 2.7 957 698 A 40 ASP H A 40 ASP HBy 1.0 . 2.7 958 699 A 41 PRO HA A 40 ASP HA 1.0 . 5.5 959 700 A 40 ASP HA A 41 PRO HBy 1.0 . 5.5 960 701 A 40 ASP HA A 41 PRO HBx 1.0 . 5.5 961 702 A 40 ASP HA A 41 PRO HDy 1.0 . 2.7 962 703 A 40 ASP HA A 41 PRO HDx 1.0 . 2.7 963 704 A 40 ASP HA A 41 PRO HGy 1.0 . 4.5 964 705 A 40 ASP HA A 41 PRO HGx 1.0 . 4.5 965 706 A 41 PRO HA A 40 ASP HBx 1.0 . 5.5 966 707 A 41 PRO HDy A 40 ASP HBx 1.0 . 5.5 967 708 A 41 PRO HDx A 40 ASP HBx 1.0 . 5.5 968 709 A 40 ASP HA A 42 ALA HB% 1.0 . 5.5 969 710 A 43 LEU HDx% A 40 ASP HA 1.0 . 5.5 970 711 A 43 LEU HDy% A 40 ASP HA 1.0 . 4.5 971 712 A 40 ASP HBy A 43 LEU HBx 1.0 . 5.5 972 713 A 43 LEU HG A 40 ASP HBy 1.0 . 4.5 973 714 A 43 LEU HDx% A 40 ASP HBy 1.0 . 4.5 974 715 A 43 LEU HDy% A 40 ASP HBy 1.0 . 3.5 975 716 A 40 ASP HBx A 43 LEU HBy 1.0 . 5.5 976 717 A 43 LEU HBx A 40 ASP HBx 1.0 . 5.5 977 718 A 43 LEU HG A 40 ASP HBx 1.0 . 4.5 978 719 A 43 LEU HDx% A 40 ASP HBx 1.0 . 5.5 979 720 A 43 LEU HDy% A 40 ASP HBx 1.0 . 3.5 980 721 A 41 PRO HA A 42 ALA HB% 1.0 . 5.5 981 722 A 42 ALA HB% A 41 PRO HBy 1.0 . 4.5 982 723 A 42 ALA HB% A 41 PRO HBx 1.0 . 5.5 983 724 A 41 PRO HDy A 42 ALA HB% 1.0 . 5.5 984 725 A 41 PRO HDx A 42 ALA HB% 1.0 . 5.5 985 726 A 41 PRO HGy A 42 ALA HB% 1.0 . 3.5 986 727 A 41 PRO HGx A 42 ALA HB% 1.0 . 5.5 987 728 A 42 ALA H A 41 PRO HBx 1.0 . 4.5 988 728 A 41 PRO HBy A 42 ALA H 1.0 . 4.5 989 729 A 41 PRO HA A 44 LEU HBy 1.0 . 4.5 990 730 A 41 PRO HA A 44 LEU HBx 1.0 . 2.7 991 731 A 41 PRO HA A 44 LEU HG 1.0 . 3.5 992 732 A 41 PRO HA A 44 LEU HDx% 1.0 . 2.7 993 733 A 41 PRO HA A 44 LEU HDy% 1.0 . 4.5 994 734 A 44 LEU HDx% A 41 PRO HBx 1.0 . 3.5 995 735 A 44 LEU HDy% A 41 PRO HBx 1.0 . 5.5 996 736 A 42 ALA H A 42 ALA HA 1.0 . 2.7 997 737 A 42 ALA HB% A 42 ALA H 1.0 . 2.7 998 738 A 42 ALA HA A 45 ALA H 1.0 . 4.5 999 739 A 42 ALA HA A 45 ALA HB% 1.0 . 3.5 1000 740 A 42 ALA HA A 46 ALA H 1.0 . 5.5 1001 741 A 43 LEU H A 43 LEU HBy 1.0 . 3.5 1002 742 A 43 LEU H A 43 LEU HBx 1.0 . 2.7 1003 743 A 43 LEU HA A 43 LEU HBy 1.0 . 2.7 1004 743 A 43 LEU HA A 43 LEU HBx 1.0 . 2.7 1005 744 A 43 LEU HDx% A 43 LEU HA 1.0 . 3.5 1006 745 A 43 LEU HA A 46 ALA HB% 1.0 . 2.7 1007 746 A 43 LEU HDx% A 46 ALA HB% 1.0 . 4.5 1008 747 A 43 LEU HDy% A 46 ALA HB% 1.0 . 5.5 1009 748 A 44 LEU HA A 44 LEU HBy 1.0 . 2.7 1010 749 A 44 LEU HA A 44 LEU HBx 1.0 . 3.5 1011 750 A 44 LEU H A 44 LEU HBy 1.0 . 2.7 1012 750 A 44 LEU HBx A 44 LEU H 1.0 . 2.7 1013 751 A 44 LEU HA A 44 LEU HDx% 1.0 . 3.5 1014 752 A 44 LEU HA A 44 LEU HDy% 1.0 . 2.7 1015 753 A 44 LEU HA A 45 ALA HB% 1.0 . 5.5 1016 754 A 45 ALA H A 44 LEU HBy 1.0 . 3.5 1017 754 A 45 ALA H A 44 LEU HBx 1.0 . 3.5 1018 755 A 45 ALA HB% A 44 LEU HBy 1.0 . 5.5 1019 755 A 45 ALA HB% A 44 LEU HBx 1.0 . 5.5 1020 756 A 44 LEU HDx% A 45 ALA HA 1.0 . 3.5 1021 757 A 44 LEU HDx% A 45 ALA HB% 1.0 . 4.5 1022 758 A 44 LEU HDy% A 45 ALA HA 1.0 . 3.5 1023 759 A 44 LEU HDy% A 45 ALA HB% 1.0 . 4.5 1024 760 A 44 LEU HA A 47 TYR HBy 1.0 . 2.7 1025 761 A 44 LEU HA A 47 TYR HBx 1.0 . 2.7 1026 762 A 44 LEU HDx% A 47 TYR HBy 1.0 . 5.5 1027 763 A 44 LEU HDx% A 47 TYR HBx 1.0 . 5.5 1028 764 A 44 LEU HDy% A 47 TYR HBy 1.0 . 4.5 1029 765 A 44 LEU HDy% A 47 TYR HBx 1.0 . 4.5 1030 766 A 47 TYR HD% A 44 LEU HDy% 1.0 . 5.5 1031 767 A 44 LEU HA A 48 GLN HGy 1.0 . 5.5 1032 768 A 44 LEU HA A 48 GLN HGx 1.0 . 5.5 1033 769 A 44 LEU HA A 48 GLN H 1.0 . 5.5 1034 770 A 44 LEU HDx% A 48 GLN HA 1.0 . 5.5 1035 771 A 44 LEU HDx% A 48 GLN HBy 1.0 . 4.5 1036 772 A 44 LEU HDx% A 48 GLN HBx 1.0 . 4.5 1037 773 A 44 LEU HDx% A 48 GLN HGy 1.0 . 5.5 1038 774 A 44 LEU HDy% A 48 GLN HA 1.0 . 4.5 1039 775 A 44 LEU HDy% A 48 GLN HBy 1.0 . 4.5 1040 776 A 44 LEU HDy% A 48 GLN HBx 1.0 . 4.5 1041 777 A 44 LEU HDy% A 48 GLN HGy 1.0 . 4.5 1042 778 A 44 LEU HDy% A 48 GLN HGx 1.0 . 5.5 1043 779 A 45 ALA H A 45 ALA HA 1.0 . 2.7 1044 780 A 45 ALA H A 45 ALA HB% 1.0 . 2.7 1045 781 A 45 ALA H A 46 ALA H 1.0 . 2.7 1046 782 A 45 ALA HA A 47 TYR HBy 1.0 . 5.5 1047 783 A 45 ALA HA A 48 GLN HA 1.0 . 5.5 1048 784 A 45 ALA HA A 48 GLN HBy 1.0 . 4.5 1049 785 A 45 ALA HA A 48 GLN HBx 1.0 . 3.5 1050 786 A 45 ALA HA A 48 GLN HGy 1.0 . 2.7 1051 787 A 45 ALA HA A 48 GLN HGx 1.0 . 2.7 1052 788 A 45 ALA HA A 48 GLN HBx 1.0 . 3.5 1053 788 A 45 ALA HA A 48 GLN HBy 1.0 . 3.5 1054 789 A 45 ALA HB% A 48 GLN HGy 1.0 . 3.5 1055 790 A 45 ALA HB% A 48 GLN HGx 1.0 . 3.5 1056 791 A 46 ALA H A 46 ALA HA 1.0 . 2.7 1057 792 A 46 ALA H A 46 ALA HB% 1.0 . 2.7 1058 793 A 46 ALA H A 47 TYR H 1.0 . 2.7 1059 794 A 46 ALA HB% A 47 TYR H 1.0 . 2.7 1060 795 A 46 ALA H A 48 GLN H 1.0 . 5.5 1061 796 A 46 ALA HA A 49 SER HB2 1.0 . 2.7 1062 796 A 46 ALA HA A 49 SER HB3 1.0 . 2.7 1063 797 A 46 ALA HB% A 49 SER HB2 1.0 . 3.5 1064 797 A 46 ALA HB% A 49 SER HB3 1.0 . 3.5 1065 798 A 47 TYR HA A 47 TYR HBy 1.0 . 2.7 1066 799 A 47 TYR HA A 47 TYR HBx 1.0 . 3.5 1067 800 A 47 TYR HA A 47 TYR H 1.0 . 2.7 1068 801 A 47 TYR H A 47 TYR HBx 1.0 . 2.7 1069 801 A 47 TYR H A 47 TYR HBy 1.0 . 2.7 1070 802 A 47 TYR HA A 48 GLN H 1.0 . 3.5 1071 803 A 48 GLN H A 47 TYR H 1.0 . 2.7 1072 804 A 48 GLN H A 47 TYR HBx 1.0 . 3.5 1073 804 A 48 GLN H A 47 TYR HBy 1.0 . 3.5 1074 805 A 47 TYR HA A 50 LYS HBy 1.0 . 3.5 1075 806 A 47 TYR HA A 50 LYS HBx 1.0 . 4.5 1076 807 A 48 GLN H A 48 GLN HA 1.0 . 2.7 1077 808 A 48 GLN H A 48 GLN HBx 1.0 . 2.7 1078 808 A 48 GLN H A 48 GLN HBy 1.0 . 2.7 1079 809 A 48 GLN HA A 48 GLN HGx 1.0 . 3.5 1080 809 A 48 GLN HA A 48 GLN HGy 1.0 . 3.5 1081 810 A 48 GLN HA A 49 SER HA 1.0 . 5.5 1082 811 A 48 GLN HA A 49 SER H 1.0 . 3.5 1083 812 A 48 GLN HA A 49 SER HB2 1.0 . 5.5 1084 812 A 48 GLN HA A 49 SER HB3 1.0 . 5.5 1085 813 A 48 GLN H A 49 SER H 1.0 . 3.5 1086 814 A 49 SER H A 48 GLN HBx 1.0 . 3.5 1087 814 A 48 GLN HBy A 49 SER H 1.0 . 3.5 1088 815 A 48 GLN H A 50 LYS H 1.0 . 5.5 1089 816 A 51 LEU HA A 48 GLN HA 1.0 . 5.5 1090 817 A 48 GLN HA A 51 LEU HBy 1.0 . 3.5 1091 818 A 48 GLN HA A 51 LEU HBx 1.0 . 3.5 1092 819 A 48 GLN HA A 51 LEU HG 1.0 . 4.5 1093 820 A 48 GLN HA A 51 LEU H 1.0 . 5.5 1094 821 A 51 LEU HDx% A 48 GLN HA 1.0 . 2.7 1095 822 A 48 GLN HA A 51 LEU HDy% 1.0 . 3.5 1096 823 A 48 GLN HBx A 51 LEU HBy 1.0 . 5.5 1097 824 A 51 LEU HDx% A 48 GLN HGy 1.0 . 4.5 1098 825 A 48 GLN HGy A 51 LEU HDy% 1.0 . 5.5 1099 826 A 51 LEU HDx% A 48 GLN HGx 1.0 . 4.5 1100 827 A 51 LEU HDy% A 48 GLN HGx 1.0 . 5.5 1101 828 A 48 GLN HA A 52 SER H 1.0 . 4.5 1102 829 A 49 SER HA A 49 SER H 1.0 . 2.7 1103 830 A 49 SER H A 49 SER HB2 1.0 . 2.7 1104 830 A 49 SER HB3 A 49 SER H 1.0 . 2.7 1105 831 A 49 SER H A 50 LYS H 1.0 . 2.7 1106 832 A 50 LYS HA A 49 SER HB2 1.0 . 4.5 1107 832 A 50 LYS HA A 49 SER HB3 1.0 . 4.5 1108 833 A 50 LYS HBy A 49 SER HB2 1.0 . 4.5 1109 833 A 49 SER HB3 A 50 LYS HBy 1.0 . 4.5 1110 834 A 49 SER HB3 A 50 LYS HBx 1.0 . 5.5 1111 834 A 49 SER HB2 A 50 LYS HBx 1.0 . 5.5 1112 835 A 50 LYS H A 49 SER HB2 1.0 . 3.5 1113 835 A 49 SER HB3 A 50 LYS H 1.0 . 3.5 1114 836 A 49 SER HB3 A 50 LYS HD2 1.0 . 4.5 1115 836 A 49 SER HB2 A 50 LYS HD2 1.0 . 4.5 1116 836 A 50 LYS HD3 A 49 SER HB2 1.0 . 4.5 1117 836 A 50 LYS HD3 A 49 SER HB3 1.0 . 4.5 1118 837 A 49 SER HB3 A 50 LYS HGy 1.0 . 4.5 1119 837 A 49 SER HB2 A 50 LYS HGy 1.0 . 4.5 1120 837 A 50 LYS HGx A 49 SER HB2 1.0 . 4.5 1121 837 A 50 LYS HGx A 49 SER HB3 1.0 . 4.5 1122 838 A 51 LEU HDx% A 49 SER HA 1.0 . 5.5 1123 839 A 49 SER HA A 51 LEU HDy% 1.0 . 4.5 1124 840 A 50 LYS HA A 50 LYS H 1.0 . 2.7 1125 841 A 50 LYS H A 50 LYS HBy 1.0 . 3.5 1126 842 A 50 LYS H A 50 LYS HBx 1.0 . 3.5 1127 843 A 50 LYS HA A 50 LYS HBx 1.0 . 2.7 1128 843 A 50 LYS HA A 50 LYS HBy 1.0 . 2.7 1129 844 A 50 LYS H A 50 LYS HBx 1.0 . 2.7 1130 844 A 50 LYS H A 50 LYS HBy 1.0 . 2.7 1131 845 A 50 LYS HA A 50 LYS HD2 1.0 . 3.5 1132 845 A 50 LYS HA A 50 LYS HD3 1.0 . 3.5 1133 846 A 50 LYS HA A 50 LYS HEy 1.0 . 4.5 1134 846 A 50 LYS HA A 50 LYS HEx 1.0 . 4.5 1135 847 A 50 LYS HA A 51 LEU H 1.0 . 3.5 1136 848 A 50 LYS H A 51 LEU H 1.0 . 2.7 1137 849 A 51 LEU H A 50 LYS HBx 1.0 . 3.5 1138 849 A 51 LEU H A 50 LYS HBy 1.0 . 3.5 1139 850 A 50 LYS HA A 53 GLU HA 1.0 . 4.5 1140 851 A 50 LYS HA A 53 GLU HGy 1.0 . 4.5 1141 852 A 50 LYS HA A 53 GLU HGx 1.0 . 4.5 1142 853 A 50 LYS HA A 53 GLU HB2 1.0 . 2.7 1143 853 A 50 LYS HA A 53 GLU HB3 1.0 . 2.7 1144 854 A 53 GLU HB3 A 50 LYS HEy 1.0 . 4.5 1145 854 A 50 LYS HEy A 53 GLU HB2 1.0 . 4.5 1146 855 A 53 GLU HA A 50 LYS HEx 1.0 . 5.5 1147 856 A 53 GLU HB3 A 50 LYS HEx 1.0 . 5.5 1148 856 A 50 LYS HEx A 53 GLU HB2 1.0 . 5.5 1149 857 A 53 GLU HGy A 50 LYS HGy 1.0 . 5.5 1150 858 A 50 LYS HGy A 53 GLU HGx 1.0 . 5.5 1151 859 A 53 GLU HB3 A 50 LYS HGy 1.0 . 4.5 1152 859 A 50 LYS HGy A 53 GLU HB2 1.0 . 4.5 1153 860 A 50 LYS HGx A 53 GLU HGy 1.0 . 5.5 1154 861 A 50 LYS HGx A 53 GLU HGx 1.0 . 5.5 1155 862 A 50 LYS HGx A 53 GLU HB3 1.0 . 5.5 1156 862 A 50 LYS HGx A 53 GLU HB2 1.0 . 5.5 1157 863 A 53 GLU HGy A 50 LYS HD2 1.0 . 5.5 1158 863 A 50 LYS HD3 A 53 GLU HGy 1.0 . 5.5 1159 864 A 50 LYS HD2 A 53 GLU HGx 1.0 . 5.5 1160 864 A 50 LYS HD3 A 53 GLU HGx 1.0 . 5.5 1161 865 A 50 LYS HD2 A 53 GLU HB2 1.0 . 4.5 1162 865 A 50 LYS HD3 A 53 GLU HB2 1.0 . 4.5 1163 865 A 53 GLU HB3 A 50 LYS HD2 1.0 . 4.5 1164 865 A 50 LYS HD3 A 53 GLU HB3 1.0 . 4.5 1165 866 A 51 LEU HA A 51 LEU HBy 1.0 . 2.7 1166 867 A 51 LEU HA A 51 LEU HBx 1.0 . 3.5 1167 868 A 51 LEU HA A 51 LEU H 1.0 . 2.7 1168 869 A 51 LEU H A 51 LEU HBy 1.0 . 2.7 1169 869 A 51 LEU H A 51 LEU HBx 1.0 . 2.7 1170 870 A 51 LEU HA A 51 LEU HDx% 1.0 . 4.5 1171 871 A 51 LEU HA A 51 LEU HDy% 1.0 . 3.5 1172 872 A 51 LEU HA A 52 SER H 1.0 . 3.5 1173 873 A 51 LEU H A 52 SER H 1.0 . 2.7 1174 874 A 52 SER H A 51 LEU HBy 1.0 . 3.5 1175 874 A 52 SER H A 51 LEU HBx 1.0 . 3.5 1176 875 A 51 LEU HDx% A 52 SER HA 1.0 . 5.5 1177 876 A 51 LEU HDy% A 52 SER HA 1.0 . 5.5 1178 877 A 51 LEU H A 53 GLU H 1.0 . 5.5 1179 878 A 54 TYR HBy A 51 LEU HA 1.0 . 4.5 1180 879 A 51 LEU HA A 54 TYR HBx 1.0 . 3.5 1181 880 A 54 TYR HE% A 51 LEU HA 1.0 . 4.5 1182 881 A 51 LEU HDy% A 55 ASN HBy 1.0 . 5.5 1183 882 A 51 LEU HDy% A 55 ASN HBx 1.0 . 5.5 1184 883 A 52 SER HA A 52 SER HB2 1.0 . 3.5 1185 884 A 52 SER HA A 52 SER HB3 1.0 . 2.7 1186 885 A 52 SER H A 52 SER HA 1.0 . 2.7 1187 886 A 52 SER H A 52 SER HB3 1.0 . 3.5 1188 887 A 52 SER H A 52 SER HB2 1.0 . 2.7 1189 887 A 52 SER H A 52 SER HB3 1.0 . 2.7 1190 888 A 52 SER HA A 53 GLU H 1.0 . 3.5 1191 889 A 52 SER H A 53 GLU H 1.0 . 2.7 1192 890 A 52 SER HB2 A 53 GLU HB2 1.0 . 4.5 1193 890 A 52 SER HB3 A 53 GLU HB2 1.0 . 4.5 1194 890 A 53 GLU HB3 A 52 SER HB2 1.0 . 4.5 1195 890 A 53 GLU HB3 A 52 SER HB3 1.0 . 4.5 1196 891 A 52 SER HB3 A 53 GLU HGx 1.0 . 4.5 1197 891 A 53 GLU HGy A 52 SER HB2 1.0 . 4.5 1198 891 A 53 GLU HGy A 52 SER HB3 1.0 . 4.5 1199 891 A 52 SER HB2 A 53 GLU HGx 1.0 . 4.5 1200 892 A 52 SER H A 54 TYR H 1.0 . 5.5 1201 893 A 52 SER HA A 55 ASN HBy 1.0 . 2.7 1202 893 A 52 SER HA A 55 ASN HBx 1.0 . 2.7 1203 894 A 52 SER HB3 A 55 ASN HBy 1.0 . 4.5 1204 894 A 52 SER HB2 A 55 ASN HBy 1.0 . 4.5 1205 895 A 55 ASN HBx A 52 SER HB2 1.0 . 4.5 1206 895 A 52 SER HB3 A 55 ASN HBx 1.0 . 4.5 1207 896 A 53 GLU HA A 53 GLU HB2 1.0 . 3.5 1208 897 A 53 GLU HB3 A 53 GLU HA 1.0 . 2.7 1209 898 A 53 GLU HA A 53 GLU H 1.0 . 2.7 1210 899 A 53 GLU HB3 A 53 GLU H 1.0 . 3.5 1211 900 A 53 GLU H A 53 GLU HB2 1.0 . 2.7 1212 900 A 53 GLU HB3 A 53 GLU H 1.0 . 2.7 1213 901 A 53 GLU HA A 53 GLU HGx 1.0 . 3.5 1214 901 A 53 GLU HA A 53 GLU HGy 1.0 . 3.5 1215 902 A 53 GLU HA A 54 TYR H 1.0 . 3.5 1216 903 A 53 GLU H A 54 TYR H 1.0 . 2.7 1217 904 A 54 TYR H A 53 GLU HB2 1.0 . 2.7 1218 904 A 53 GLU HB3 A 54 TYR H 1.0 . 2.7 1219 905 A 53 GLU HA A 56 LEU HBy 1.0 . 3.5 1220 906 A 53 GLU HA A 56 LEU HBx 1.0 . 3.5 1221 907 A 53 GLU HA A 56 LEU HG 1.0 . 4.5 1222 908 A 53 GLU HA A 56 LEU HDx% 1.0 . 3.5 1223 909 A 53 GLU HA A 56 LEU HDy% 1.0 . 3.5 1224 910 A 53 GLU HGy A 56 LEU HDy% 1.0 . 4.5 1225 911 A 56 LEU HDy% A 53 GLU HGx 1.0 . 4.5 1226 912 A 53 GLU HB2 A 56 LEU HBy 1.0 . 4.5 1227 912 A 53 GLU HB3 A 56 LEU HBy 1.0 . 4.5 1228 913 A 56 LEU HBx A 53 GLU HB2 1.0 . 4.5 1229 913 A 53 GLU HB3 A 56 LEU HBx 1.0 . 4.5 1230 914 A 56 LEU HDy% A 53 GLU HB2 1.0 . 3.5 1231 914 A 53 GLU HB3 A 56 LEU HDy% 1.0 . 3.5 1232 915 A 54 TYR HA A 54 TYR H 1.0 . 2.7 1233 916 A 54 TYR H A 54 TYR HBx 1.0 . 2.7 1234 916 A 54 TYR HBy A 54 TYR H 1.0 . 2.7 1235 917 A 54 TYR H A 55 ASN H 1.0 . 3.5 1236 918 A 55 ASN H A 54 TYR HBx 1.0 . 4.5 1237 918 A 54 TYR HBy A 55 ASN H 1.0 . 4.5 1238 919 A 54 TYR HE% A 55 ASN HA 1.0 . 4.5 1239 920 A 54 TYR HA A 57 TYR HBy 1.0 . 3.5 1240 921 A 54 TYR HA A 57 TYR HBx 1.0 . 3.5 1241 922 A 54 TYR HA A 58 ARG H 1.0 . 5.5 1242 923 A 55 ASN H A 55 ASN HA 1.0 . 2.7 1243 924 A 55 ASN H A 55 ASN HBy 1.0 . 2.7 1244 924 A 55 ASN HBx A 55 ASN H 1.0 . 2.7 1245 925 A 55 ASN HA A 56 LEU H 1.0 . 4.5 1246 926 A 55 ASN H A 56 LEU H 1.0 . 3.5 1247 927 A 56 LEU H A 55 ASN HBy 1.0 . 4.5 1248 927 A 55 ASN HBx A 56 LEU H 1.0 . 4.5 1249 928 A 55 ASN H A 57 TYR H 1.0 . 5.5 1250 929 A 55 ASN HA A 58 ARG HA 1.0 . 5.5 1251 930 A 55 ASN HA A 58 ARG HDy 1.0 . 4.5 1252 931 A 55 ASN HA A 58 ARG HDx 1.0 . 4.5 1253 932 A 55 ASN HA A 58 ARG HB2 1.0 . 3.5 1254 932 A 58 ARG HB3 A 55 ASN HA 1.0 . 3.5 1255 933 A 55 ASN HA A 58 ARG HG2 1.0 . 3.5 1256 933 A 58 ARG HG3 A 55 ASN HA 1.0 . 3.5 1257 934 A 58 ARG HG3 A 55 ASN HBy 1.0 . 5.5 1258 934 A 55 ASN HBy A 58 ARG HG2 1.0 . 5.5 1259 935 A 55 ASN HBx A 58 ARG HB2 1.0 . 4.5 1260 936 A 58 ARG HB3 A 55 ASN HBx 1.0 . 4.5 1261 937 A 58 ARG HG3 A 55 ASN HBx 1.0 . 5.5 1262 937 A 55 ASN HBx A 58 ARG HG2 1.0 . 5.5 1263 938 A 55 ASN HA A 59 ASN H 1.0 . 5.5 1264 939 A 56 LEU HG A 56 LEU HA 1.0 . 3.5 1265 940 A 56 LEU H A 56 LEU HA 1.0 . 2.7 1266 941 A 56 LEU H A 56 LEU HBy 1.0 . 2.7 1267 941 A 56 LEU H A 56 LEU HBx 1.0 . 2.7 1268 942 A 57 TYR H A 56 LEU HA 1.0 . 4.5 1269 943 A 56 LEU H A 57 TYR H 1.0 . 2.7 1270 944 A 57 TYR H A 56 LEU HBy 1.0 . 4.5 1271 944 A 57 TYR H A 56 LEU HBx 1.0 . 4.5 1272 945 A 56 LEU HA A 59 ASN HA 1.0 . 4.5 1273 946 A 56 LEU HA A 59 ASN HBx 1.0 . 2.7 1274 947 A 56 LEU HA A 59 ASN HBy 1.0 . 2.7 1275 948 A 59 ASN H A 56 LEU HA 1.0 . 4.5 1276 949 A 56 LEU HDx% A 59 ASN HBx 1.0 . 5.5 1277 950 A 56 LEU HDx% A 59 ASN HBy 1.0 . 5.5 1278 951 A 56 LEU HDy% A 59 ASN HBx 1.0 . 5.5 1279 952 A 56 LEU HDy% A 59 ASN HBy 1.0 . 5.5 1280 953 A 56 LEU HA A 60 ALA H 1.0 . 5.5 1281 954 A 56 LEU HA A 60 ALA HB% 1.0 . 4.5 1282 955 A 60 ALA HB% A 56 LEU HBy 1.0 . 5.5 1283 956 A 56 LEU HBx A 60 ALA HB% 1.0 . 5.5 1284 957 A 57 TYR HA A 57 TYR H 1.0 . 2.7 1285 958 A 57 TYR H A 57 TYR HBx 1.0 . 2.7 1286 958 A 57 TYR HBy A 57 TYR H 1.0 . 2.7 1287 959 A 57 TYR HA A 58 ARG HA 1.0 . 5.5 1288 960 A 57 TYR HA A 58 ARG H 1.0 . 3.5 1289 961 A 58 ARG H A 57 TYR H 1.0 . 2.7 1290 962 A 58 ARG H A 57 TYR HBx 1.0 . 3.5 1291 962 A 57 TYR HBy A 58 ARG H 1.0 . 3.5 1292 963 A 57 TYR HE% A 58 ARG HDy 1.0 . 4.5 1293 964 A 57 TYR HE% A 58 ARG HDx 1.0 . 4.5 1294 965 A 57 TYR HE% A 58 ARG HB2 1.0 . 4.5 1295 965 A 57 TYR HE% A 58 ARG HB3 1.0 . 4.5 1296 966 A 57 TYR HE% A 58 ARG HG2 1.0 . 4.5 1297 966 A 57 TYR HE% A 58 ARG HG3 1.0 . 4.5 1298 967 A 57 TYR HA A 60 ALA HB% 1.0 . 2.7 1299 968 A 57 TYR HBy A 60 ALA HB% 1.0 . 5.5 1300 969 A 60 ALA HB% A 57 TYR HBx 1.0 . 5.5 1301 970 A 58 ARG H A 58 ARG HA 1.0 . 2.7 1302 971 A 58 ARG H A 58 ARG HB2 1.0 . 2.7 1303 971 A 58 ARG HB3 A 58 ARG H 1.0 . 2.7 1304 972 A 58 ARG HA A 58 ARG HDx 1.0 . 3.5 1305 972 A 58 ARG HA A 58 ARG HDy 1.0 . 3.5 1306 973 A 58 ARG HA A 58 ARG HG2 1.0 . 3.5 1307 973 A 58 ARG HG3 A 58 ARG HA 1.0 . 3.5 1308 974 A 58 ARG HA A 59 ASN HA 1.0 . 5.5 1309 975 A 58 ARG HA A 59 ASN H 1.0 . 3.5 1310 976 A 58 ARG H A 59 ASN H 1.0 . 2.7 1311 977 A 59 ASN HA A 58 ARG HB2 1.0 . 5.5 1312 977 A 58 ARG HB3 A 59 ASN HA 1.0 . 5.5 1313 978 A 59 ASN H A 58 ARG HB2 1.0 . 3.5 1314 978 A 58 ARG HB3 A 59 ASN H 1.0 . 3.5 1315 979 A 59 ASN HA A 58 ARG HG2 1.0 . 5.5 1316 979 A 58 ARG HG3 A 59 ASN HA 1.0 . 5.5 1317 980 A 58 ARG H A 60 ALA H 1.0 . 4.5 1318 981 A 58 ARG HA A 61 GLN HBy 1.0 . 3.5 1319 982 A 58 ARG HA A 61 GLN HBx 1.0 . 3.5 1320 983 A 58 ARG HA A 61 GLN H 1.0 . 4.5 1321 984 A 58 ARG HA A 61 GLN HG2 1.0 . 4.5 1322 984 A 61 GLN HG3 A 58 ARG HA 1.0 . 4.5 1323 985 A 58 ARG HG3 A 61 GLN HG2 1.0 . 5.5 1324 985 A 58 ARG HG2 A 61 GLN HG2 1.0 . 5.5 1325 985 A 61 GLN HG3 A 58 ARG HG2 1.0 . 5.5 1326 985 A 61 GLN HG3 A 58 ARG HG3 1.0 . 5.5 1327 986 A 59 ASN HA A 59 ASN HBx 1.0 . 2.7 1328 987 A 59 ASN HA A 59 ASN HBy 1.0 . 3.5 1329 988 A 59 ASN H A 59 ASN HA 1.0 . 2.7 1330 989 A 59 ASN H A 59 ASN HBx 1.0 . 2.7 1331 989 A 59 ASN H A 59 ASN HBy 1.0 . 2.7 1332 990 A 59 ASN HA A 60 ALA HA 1.0 . 5.5 1333 991 A 59 ASN HA A 60 ALA H 1.0 . 3.5 1334 992 A 59 ASN HA A 60 ALA HB% 1.0 . 5.5 1335 993 A 59 ASN H A 60 ALA H 1.0 . 2.7 1336 994 A 60 ALA H A 59 ASN HBx 1.0 . 3.5 1337 994 A 60 ALA H A 59 ASN HBy 1.0 . 3.5 1338 995 A 59 ASN HA A 62 SER HBy 1.0 . 3.5 1339 996 A 59 ASN HA A 62 SER HBx 1.0 . 3.5 1340 997 A 59 ASN HA A 62 SER H 1.0 . 4.5 1341 998 A 59 ASN HA A 63 ASN H 1.0 . 5.5 1342 999 A 60 ALA H A 60 ALA HA 1.0 . 2.7 1343 1000 A 60 ALA H A 60 ALA HB% 1.0 . 2.7 1344 1001 A 60 ALA H A 61 GLN H 1.0 . 2.7 1345 1002 A 60 ALA HB% A 61 GLN HBy 1.0 . 4.5 1346 1003 A 60 ALA HB% A 61 GLN H 1.0 . 3.5 1347 1004 A 60 ALA HB% A 61 GLN HG2 1.0 . 5.5 1348 1004 A 61 GLN HG3 A 60 ALA HB% 1.0 . 5.5 1349 1005 A 60 ALA H A 62 SER H 1.0 . 5.5 1350 1006 A 60 ALA HA A 63 ASN HBy 1.0 . 2.7 1351 1007 A 60 ALA HA A 63 ASN HBx 1.0 . 2.7 1352 1008 A 60 ALA HA A 63 ASN H 1.0 . 3.5 1353 1009 A 60 ALA HB% A 63 ASN HBy 1.0 . 4.5 1354 1010 A 60 ALA HB% A 63 ASN HBx 1.0 . 4.5 1355 1011 A 60 ALA HA A 65 VAL HGy% 1.0 . 5.5 1356 1012 A 60 ALA HB% A 65 VAL HGy% 1.0 . 5.5 1357 1013 A 61 GLN HA A 61 GLN HBy 1.0 . 2.7 1358 1014 A 61 GLN HA A 61 GLN HBx 1.0 . 3.5 1359 1015 A 61 GLN H A 61 GLN HA 1.0 . 2.7 1360 1016 A 61 GLN H A 61 GLN HBx 1.0 . 2.7 1361 1016 A 61 GLN H A 61 GLN HBy 1.0 . 2.7 1362 1017 A 61 GLN HA A 61 GLN HG2 1.0 . 3.5 1363 1017 A 61 GLN HG3 A 61 GLN HA 1.0 . 3.5 1364 1018 A 62 SER H A 61 GLN HA 1.0 . 3.5 1365 1019 A 61 GLN H A 62 SER H 1.0 . 3.5 1366 1020 A 62 SER H A 61 GLN HBx 1.0 . 3.5 1367 1020 A 62 SER H A 61 GLN HBy 1.0 . 3.5 1368 1021 A 62 SER HA A 61 GLN HG2 1.0 . 4.5 1369 1021 A 61 GLN HG3 A 62 SER HA 1.0 . 4.5 1370 1022 A 61 GLN HG3 A 62 SER HBy 1.0 . 5.5 1371 1022 A 61 GLN HG2 A 62 SER HBy 1.0 . 5.5 1372 1022 A 62 SER HBx A 61 GLN HG2 1.0 . 5.5 1373 1022 A 61 GLN HG3 A 62 SER HBx 1.0 . 5.5 1374 1023 A 61 GLN H A 63 ASN H 1.0 . 5.5 1375 1024 A 61 GLN HBy A 64 THR HB 1.0 . 5.5 1376 1025 A 61 GLN HBy A 64 THR HG2% 1.0 . 5.5 1377 1026 A 64 THR HB A 61 GLN HG2 1.0 . 5.5 1378 1026 A 61 GLN HG3 A 64 THR HB 1.0 . 5.5 1379 1027 A 61 GLN HA A 65 VAL H 1.0 . 5.5 1380 1028 A 65 VAL HGy% A 61 GLN HA 1.0 . 5.5 1381 1029 A 65 VAL HGy% A 61 GLN HBy 1.0 . 5.5 1382 1030 A 65 VAL HGx% A 61 GLN HG2 1.0 . 4.5 1383 1030 A 61 GLN HG3 A 65 VAL HGx% 1.0 . 4.5 1384 1031 A 65 VAL HGy% A 61 GLN HG2 1.0 . 3.5 1385 1031 A 61 GLN HG3 A 65 VAL HGy% 1.0 . 3.5 1386 1032 A 62 SER HA A 62 SER HBy 1.0 . 2.7 1387 1033 A 62 SER HA A 62 SER HBx 1.0 . 3.5 1388 1034 A 62 SER H A 62 SER HA 1.0 . 2.7 1389 1035 A 62 SER H A 62 SER HBy 1.0 . 2.7 1390 1035 A 62 SER H A 62 SER HBx 1.0 . 2.7 1391 1036 A 62 SER HA A 63 ASN HA 1.0 . 5.5 1392 1037 A 63 ASN H A 62 SER HA 1.0 . 3.5 1393 1038 A 62 SER HBx A 63 ASN HA 1.0 . 5.5 1394 1039 A 62 SER H A 63 ASN H 1.0 . 2.7 1395 1040 A 63 ASN H A 62 SER HBy 1.0 . 4.5 1396 1040 A 63 ASN H A 62 SER HBx 1.0 . 4.5 1397 1041 A 62 SER HA A 64 THR HG2% 1.0 . 5.5 1398 1042 A 64 THR HG2% A 62 SER HBy 1.0 . 5.5 1399 1043 A 62 SER HBx A 64 THR HG2% 1.0 . 5.5 1400 1044 A 62 SER HA A 65 VAL HB 1.0 . 2.7 1401 1045 A 62 SER HA A 65 VAL H 1.0 . 5.5 1402 1046 A 62 SER HA A 65 VAL HGx% 1.0 . 4.5 1403 1047 A 65 VAL HGy% A 62 SER HA 1.0 . 3.5 1404 1048 A 65 VAL HB A 62 SER HBy 1.0 . 5.5 1405 1048 A 62 SER HBx A 65 VAL HB 1.0 . 5.5 1406 1049 A 65 VAL HGx% A 62 SER HBy 1.0 . 5.5 1407 1049 A 62 SER HBx A 65 VAL HGx% 1.0 . 5.5 1408 1050 A 65 VAL HGy% A 62 SER HBy 1.0 . 3.5 1409 1050 A 65 VAL HGy% A 62 SER HBx 1.0 . 3.5 1410 1051 A 62 SER HA A 66 LYS H 1.0 . 5.5 1411 1052 A 63 ASN HA A 63 ASN HBy 1.0 . 2.7 1412 1053 A 63 ASN HA A 63 ASN HBx 1.0 . 3.5 1413 1054 A 63 ASN H A 63 ASN HA 1.0 . 2.7 1414 1055 A 63 ASN H A 63 ASN HBy 1.0 . 2.7 1415 1055 A 63 ASN H A 63 ASN HBx 1.0 . 2.7 1416 1056 A 63 ASN HA A 64 THR H 1.0 . 3.5 1417 1057 A 64 THR HG2% A 63 ASN HA 1.0 . 4.5 1418 1058 A 64 THR HG2% A 63 ASN HBy 1.0 . 4.5 1419 1059 A 64 THR HG2% A 63 ASN HBx 1.0 . 4.5 1420 1060 A 63 ASN H A 64 THR H 1.0 . 2.7 1421 1061 A 64 THR HB A 63 ASN HBy 1.0 . 5.5 1422 1061 A 64 THR HB A 63 ASN HBx 1.0 . 5.5 1423 1062 A 64 THR H A 63 ASN HBy 1.0 . 3.5 1424 1062 A 63 ASN HBx A 64 THR H 1.0 . 3.5 1425 1063 A 65 VAL HGy% A 63 ASN HA 1.0 . 5.5 1426 1064 A 65 VAL HGy% A 63 ASN HBy 1.0 . 5.5 1427 1065 A 65 VAL HGy% A 63 ASN HBx 1.0 . 5.5 1428 1066 A 63 ASN HA A 66 LYS HA 1.0 . 5.5 1429 1067 A 63 ASN HA A 66 LYS HD2 1.0 . 5.5 1430 1068 A 63 ASN HA A 66 LYS HD3 1.0 . 5.5 1431 1069 A 63 ASN HA A 66 LYS HB3 1.0 . 3.5 1432 1069 A 63 ASN HA A 66 LYS HB2 1.0 . 3.5 1433 1070 A 63 ASN HA A 66 LYS HD3 1.0 . 4.5 1434 1070 A 63 ASN HA A 66 LYS HD2 1.0 . 4.5 1435 1071 A 63 ASN HA A 67 VAL HGy% 1.0 . 4.5 1436 1072 A 64 THR HB A 64 THR HA 1.0 . 2.7 1437 1073 A 64 THR H A 64 THR HA 1.0 . 2.7 1438 1074 A 64 THR HB A 64 THR H 1.0 . 2.7 1439 1075 A 64 THR HG2% A 64 THR HA 1.0 . 3.5 1440 1076 A 64 THR HG2% A 64 THR H 1.0 . 2.7 1441 1077 A 65 VAL HB A 64 THR HA 1.0 . 5.5 1442 1078 A 65 VAL H A 64 THR HA 1.0 . 3.5 1443 1079 A 65 VAL HGy% A 64 THR HA 1.0 . 4.5 1444 1080 A 64 THR HB A 65 VAL H 1.0 . 3.5 1445 1081 A 65 VAL HGy% A 64 THR HB 1.0 . 4.5 1446 1082 A 64 THR HG2% A 65 VAL HA 1.0 . 4.5 1447 1083 A 64 THR HG2% A 65 VAL HB 1.0 . 5.5 1448 1084 A 65 VAL HGy% A 64 THR HG2% 1.0 . 4.5 1449 1085 A 64 THR HG2% A 66 LYS HB3 1.0 . 5.5 1450 1085 A 64 THR HG2% A 66 LYS HB2 1.0 . 5.5 1451 1086 A 64 THR HG2% A 66 LYS HD3 1.0 . 5.5 1452 1086 A 64 THR HG2% A 66 LYS HD2 1.0 . 5.5 1453 1087 A 64 THR HA A 67 VAL HB 1.0 . 3.5 1454 1088 A 64 THR HA A 67 VAL HGx% 1.0 . 4.5 1455 1089 A 67 VAL HGy% A 64 THR HA 1.0 . 3.5 1456 1090 A 64 THR HB A 67 VAL HB 1.0 . 4.5 1457 1091 A 64 THR HB A 67 VAL HGx% 1.0 . 4.5 1458 1092 A 64 THR HB A 67 VAL HGy% 1.0 . 4.5 1459 1093 A 64 THR HG2% A 67 VAL HB 1.0 . 5.5 1460 1094 A 64 THR HG2% A 67 VAL HGx% 1.0 . 5.5 1461 1095 A 64 THR HB A 68 PHE HE% 1.0 . 4.5 1462 1096 A 65 VAL HB A 65 VAL HA 1.0 . 3.5 1463 1097 A 65 VAL H A 65 VAL HA 1.0 . 2.7 1464 1098 A 65 VAL H A 65 VAL HB 1.0 . 2.7 1465 1099 A 65 VAL HGx% A 65 VAL HA 1.0 . 2.7 1466 1100 A 65 VAL H A 65 VAL HGx% 1.0 . 3.5 1467 1101 A 65 VAL HGy% A 65 VAL HA 1.0 . 2.7 1468 1102 A 65 VAL HGy% A 65 VAL H 1.0 . 2.7 1469 1103 A 66 LYS H A 65 VAL HA 1.0 . 3.5 1470 1104 A 65 VAL HB A 66 LYS HA 1.0 . 5.5 1471 1105 A 65 VAL HB A 66 LYS H 1.0 . 4.5 1472 1106 A 65 VAL H A 66 LYS H 1.0 . 3.5 1473 1107 A 65 VAL HGy% A 66 LYS HA 1.0 . 5.5 1474 1108 A 65 VAL HGy% A 66 LYS HB3 1.0 . 4.5 1475 1108 A 65 VAL HGy% A 66 LYS HB2 1.0 . 4.5 1476 1109 A 65 VAL HGy% A 66 LYS HD3 1.0 . 5.5 1477 1109 A 65 VAL HGy% A 66 LYS HD2 1.0 . 5.5 1478 1110 A 65 VAL HGy% A 66 LYS HGy 1.0 . 5.5 1479 1110 A 65 VAL HGy% A 66 LYS HGx 1.0 . 5.5 1480 1111 A 65 VAL HA A 68 PHE HBx 1.0 . 3.5 1481 1111 A 65 VAL HA A 68 PHE HBy 1.0 . 3.5 1482 1112 A 65 VAL HA A 68 PHE HE% 1.0 . 4.5 1483 1113 A 65 VAL HGx% A 68 PHE HBx 1.0 . 5.5 1484 1113 A 65 VAL HGx% A 68 PHE HBy 1.0 . 5.5 1485 1114 A 65 VAL HGy% A 68 PHE HBx 1.0 . 5.5 1486 1114 A 65 VAL HGy% A 68 PHE HBy 1.0 . 5.5 1487 1115 A 66 LYS HA A 66 LYS HB2 1.0 . 3.5 1488 1116 A 66 LYS HA A 66 LYS HB3 1.0 . 2.7 1489 1117 A 66 LYS H A 66 LYS HA 1.0 . 2.7 1490 1118 A 66 LYS H A 66 LYS HB3 1.0 . 3.5 1491 1119 A 66 LYS H A 66 LYS HB3 1.0 . 2.7 1492 1119 A 66 LYS H A 66 LYS HB2 1.0 . 2.7 1493 1120 A 66 LYS HA A 66 LYS HEx 1.0 . 5.5 1494 1120 A 66 LYS HA A 66 LYS HEy 1.0 . 5.5 1495 1121 A 66 LYS HA A 67 VAL H 1.0 . 3.5 1496 1122 A 66 LYS H A 67 VAL H 1.0 . 3.5 1497 1123 A 67 VAL HA A 66 LYS HB3 1.0 . 4.5 1498 1123 A 66 LYS HB2 A 67 VAL HA 1.0 . 4.5 1499 1124 A 67 VAL H A 66 LYS HB3 1.0 . 3.5 1500 1124 A 66 LYS HB2 A 67 VAL H 1.0 . 3.5 1501 1125 A 67 VAL HGx% A 66 LYS HB3 1.0 . 5.5 1502 1125 A 66 LYS HB2 A 67 VAL HGx% 1.0 . 5.5 1503 1126 A 67 VAL HGy% A 66 LYS HB3 1.0 . 5.5 1504 1126 A 66 LYS HB2 A 67 VAL HGy% 1.0 . 5.5 1505 1127 A 66 LYS HA A 69 LYS HBy 1.0 . 2.7 1506 1128 A 66 LYS HA A 69 LYS HBx 1.0 . 2.7 1507 1129 A 67 VAL HB A 67 VAL HA 1.0 . 3.5 1508 1130 A 67 VAL H A 67 VAL HA 1.0 . 2.7 1509 1131 A 67 VAL HB A 67 VAL H 1.0 . 2.7 1510 1132 A 67 VAL HGx% A 67 VAL HA 1.0 . 2.7 1511 1133 A 67 VAL HGx% A 67 VAL H 1.0 . 3.5 1512 1134 A 67 VAL HGy% A 67 VAL H 1.0 . 2.7 1513 1135 A 67 VAL HA A 68 PHE HA 1.0 . 5.5 1514 1136 A 67 VAL HA A 68 PHE H 1.0 . 3.5 1515 1137 A 67 VAL HB A 68 PHE HA 1.0 . 5.5 1516 1138 A 67 VAL HB A 68 PHE H 1.0 . 3.5 1517 1139 A 67 VAL H A 68 PHE H 1.0 . 2.7 1518 1140 A 67 VAL HGx% A 68 PHE HA 1.0 . 4.5 1519 1141 A 67 VAL HGx% A 68 PHE HBx 1.0 . 4.5 1520 1141 A 67 VAL HGx% A 68 PHE HBy 1.0 . 4.5 1521 1142 A 67 VAL HGy% A 68 PHE HA 1.0 . 5.5 1522 1143 A 67 VAL HGy% A 68 PHE HBx 1.0 . 5.5 1523 1143 A 67 VAL HGy% A 68 PHE HBy 1.0 . 5.5 1524 1144 A 67 VAL H A 69 LYS H 1.0 . 5.5 1525 1145 A 67 VAL HGx% A 69 LYS HBx 1.0 . 5.5 1526 1145 A 67 VAL HGx% A 69 LYS HBy 1.0 . 5.5 1527 1146 A 67 VAL HGy% A 69 LYS HBx 1.0 . 4.5 1528 1146 A 67 VAL HGy% A 69 LYS HBy 1.0 . 4.5 1529 1147 A 67 VAL HGy% A 69 LYS HD2 1.0 . 4.5 1530 1147 A 67 VAL HGy% A 69 LYS HD3 1.0 . 4.5 1531 1148 A 67 VAL HA A 70 ASP HA 1.0 . 5.5 1532 1149 A 67 VAL HA A 70 ASP HBy 1.0 . 4.5 1533 1150 A 67 VAL HA A 70 ASP HBx 1.0 . 3.5 1534 1151 A 67 VAL HA A 70 ASP H 1.0 . 5.5 1535 1152 A 67 VAL HGx% A 70 ASP HA 1.0 . 5.5 1536 1153 A 68 PHE HBy A 68 PHE HA 1.0 . 3.5 1537 1154 A 68 PHE HA A 68 PHE HBx 1.0 . 2.7 1538 1155 A 68 PHE HA A 68 PHE H 1.0 . 2.7 1539 1156 A 68 PHE H A 68 PHE HBx 1.0 . 3.5 1540 1157 A 68 PHE H A 68 PHE HBx 1.0 . 2.7 1541 1157 A 68 PHE HBy A 68 PHE H 1.0 . 2.7 1542 1158 A 68 PHE HA A 69 LYS H 1.0 . 3.5 1543 1159 A 68 PHE HBy A 69 LYS HA 1.0 . 5.5 1544 1160 A 69 LYS HA A 68 PHE HBx 1.0 . 5.5 1545 1161 A 68 PHE H A 69 LYS H 1.0 . 3.5 1546 1162 A 69 LYS H A 68 PHE HBx 1.0 . 3.5 1547 1162 A 68 PHE HBy A 69 LYS H 1.0 . 3.5 1548 1163 A 68 PHE HA A 71 ILE HB 1.0 . 2.7 1549 1164 A 68 PHE HA A 71 ILE HG12 1.0 . 5.5 1550 1165 A 68 PHE HA A 71 ILE HG13 1.0 . 5.5 1551 1166 A 68 PHE HA A 71 ILE HD1% 1.0 . 4.5 1552 1167 A 68 PHE HA A 71 ILE HG2% 1.0 . 4.5 1553 1168 A 68 PHE HBy A 71 ILE HB 1.0 . 5.5 1554 1169 A 71 ILE HB A 68 PHE HBx 1.0 . 4.5 1555 1170 A 71 ILE HG2% A 68 PHE HBx 1.0 . 5.5 1556 1171 A 71 ILE HB A 68 PHE HBx 1.0 . 5.5 1557 1171 A 68 PHE HBy A 71 ILE HB 1.0 . 5.5 1558 1172 A 71 ILE HD1% A 68 PHE HBx 1.0 . 5.5 1559 1172 A 68 PHE HBy A 71 ILE HD1% 1.0 . 5.5 1560 1173 A 69 LYS HBy A 69 LYS HA 1.0 . 2.7 1561 1174 A 69 LYS HA A 69 LYS HBx 1.0 . 3.5 1562 1175 A 69 LYS H A 69 LYS HA 1.0 . 2.7 1563 1176 A 69 LYS H A 69 LYS HBx 1.0 . 2.7 1564 1176 A 69 LYS H A 69 LYS HBy 1.0 . 2.7 1565 1177 A 69 LYS HA A 69 LYS HEx 1.0 . 4.5 1566 1177 A 69 LYS HA A 69 LYS HEy 1.0 . 4.5 1567 1178 A 70 ASP H A 69 LYS HA 1.0 . 3.5 1568 1179 A 70 ASP H A 69 LYS HBx 1.0 . 3.5 1569 1179 A 69 LYS HBy A 70 ASP H 1.0 . 3.5 1570 1180 A 69 LYS HA A 72 ASP HBy 1.0 . 3.5 1571 1181 A 69 LYS HA A 72 ASP HBx 1.0 . 3.5 1572 1182 A 69 LYS HA A 72 ASP H 1.0 . 5.5 1573 1183 A 69 LYS HA A 73 ALA H 1.0 . 5.5 1574 1184 A 73 ALA HB% A 69 LYS HEx 1.0 . 5.5 1575 1184 A 69 LYS HEy A 73 ALA HB% 1.0 . 5.5 1576 1185 A 70 ASP HA A 70 ASP HBy 1.0 . 2.7 1577 1186 A 70 ASP HA A 70 ASP HBx 1.0 . 3.5 1578 1187 A 70 ASP HA A 70 ASP H 1.0 . 2.7 1579 1188 A 70 ASP H A 70 ASP HBx 1.0 . 2.7 1580 1188 A 70 ASP H A 70 ASP HBy 1.0 . 2.7 1581 1189 A 70 ASP HA A 71 ILE HA 1.0 . 4.5 1582 1190 A 70 ASP HA A 71 ILE H 1.0 . 3.5 1583 1191 A 70 ASP H A 71 ILE H 1.0 . 3.5 1584 1192 A 71 ILE H A 70 ASP HBx 1.0 . 3.5 1585 1192 A 70 ASP HBy A 71 ILE H 1.0 . 3.5 1586 1193 A 70 ASP HA A 73 ALA HB% 1.0 . 3.5 1587 1194 A 73 ALA HB% A 70 ASP HBy 1.0 . 4.5 1588 1195 A 73 ALA HB% A 70 ASP HBx 1.0 . 4.5 1589 1196 A 73 ALA HB% A 70 ASP HBx 1.0 . 4.5 1590 1196 A 73 ALA HB% A 70 ASP HBy 1.0 . 4.5 1591 1197 A 71 ILE HA A 71 ILE H 1.0 . 2.7 1592 1198 A 71 ILE HB A 71 ILE H 1.0 . 2.7 1593 1199 A 71 ILE HD1% A 71 ILE HA 1.0 . 3.5 1594 1200 A 71 ILE HA A 71 ILE HG13 1.0 . 3.5 1595 1200 A 71 ILE HA A 71 ILE HG12 1.0 . 3.5 1596 1201 A 71 ILE HG2% A 71 ILE HA 1.0 . 3.5 1597 1202 A 72 ASP H A 71 ILE HA 1.0 . 3.5 1598 1203 A 71 ILE HB A 72 ASP H 1.0 . 3.5 1599 1204 A 71 ILE HD1% A 72 ASP HBy 1.0 . 5.5 1600 1205 A 71 ILE HD1% A 72 ASP HBx 1.0 . 5.5 1601 1206 A 71 ILE HG2% A 72 ASP HA 1.0 . 4.5 1602 1207 A 71 ILE HG2% A 72 ASP HBy 1.0 . 4.5 1603 1208 A 71 ILE HG2% A 72 ASP HBx 1.0 . 4.5 1604 1209 A 71 ILE HA A 74 ALA H 1.0 . 5.5 1605 1210 A 71 ILE HA A 74 ALA HB% 1.0 . 2.7 1606 1211 A 71 ILE HB A 74 ALA HB% 1.0 . 5.5 1607 1212 A 71 ILE HD1% A 74 ALA HB% 1.0 . 4.5 1608 1213 A 71 ILE HG2% A 74 ALA HB% 1.0 . 4.5 1609 1214 A 71 ILE HA A 75 ILE H 1.0 . 5.5 1610 1215 A 72 ASP HA A 72 ASP HBy 1.0 . 2.7 1611 1216 A 72 ASP HA A 72 ASP HBx 1.0 . 3.5 1612 1217 A 72 ASP H A 72 ASP HA 1.0 . 2.7 1613 1218 A 72 ASP H A 72 ASP HBx 1.0 . 2.7 1614 1218 A 72 ASP H A 72 ASP HBy 1.0 . 2.7 1615 1219 A 72 ASP HA A 73 ALA HA 1.0 . 5.5 1616 1220 A 73 ALA H A 72 ASP HA 1.0 . 3.5 1617 1221 A 73 ALA H A 72 ASP HBx 1.0 . 2.7 1618 1221 A 73 ALA H A 72 ASP HBy 1.0 . 2.7 1619 1222 A 72 ASP HA A 74 ALA HB% 1.0 . 4.5 1620 1223 A 72 ASP HA A 75 ILE HB 1.0 . 2.7 1621 1224 A 72 ASP HA A 75 ILE H 1.0 . 4.5 1622 1225 A 72 ASP HA A 75 ILE HD1% 1.0 . 5.5 1623 1226 A 72 ASP HA A 75 ILE HG13 1.0 . 5.5 1624 1226 A 72 ASP HA A 75 ILE HG12 1.0 . 5.5 1625 1227 A 72 ASP HA A 75 ILE HG2% 1.0 . 5.5 1626 1228 A 75 ILE HB A 72 ASP HBx 1.0 . 4.5 1627 1228 A 72 ASP HBy A 75 ILE HB 1.0 . 4.5 1628 1229 A 72 ASP HBy A 75 ILE HG12 1.0 . 5.5 1629 1229 A 75 ILE HG12 A 72 ASP HBx 1.0 . 5.5 1630 1230 A 72 ASP HBx A 75 ILE HG13 1.0 . 5.5 1631 1230 A 72 ASP HBy A 75 ILE HG13 1.0 . 5.5 1632 1231 A 75 ILE HD1% A 72 ASP HBx 1.0 . 5.5 1633 1231 A 72 ASP HBy A 75 ILE HD1% 1.0 . 5.5 1634 1232 A 75 ILE HG2% A 72 ASP HBx 1.0 . 5.5 1635 1232 A 72 ASP HBy A 75 ILE HG2% 1.0 . 5.5 1636 1233 A 73 ALA H A 73 ALA HA 1.0 . 2.7 1637 1234 A 73 ALA H A 73 ALA HB% 1.0 . 2.7 1638 1235 A 73 ALA H A 75 ILE H 1.0 . 5.5 1639 1236 A 73 ALA HA A 76 LEU HBy 1.0 . 2.7 1640 1237 A 73 ALA HA A 76 LEU HBx 1.0 . 3.5 1641 1238 A 73 ALA HA A 76 LEU HG 1.0 . 4.5 1642 1239 A 73 ALA HA A 76 LEU HDx% 1.0 . 3.5 1643 1240 A 73 ALA HA A 76 LEU HDy% 1.0 . 3.5 1644 1241 A 74 ALA H A 74 ALA HA 1.0 . 2.7 1645 1242 A 74 ALA H A 74 ALA HB% 1.0 . 2.7 1646 1243 A 75 ILE H A 74 ALA HA 1.0 . 3.5 1647 1244 A 74 ALA H A 75 ILE H 1.0 . 2.7 1648 1245 A 74 ALA HB% A 75 ILE HA 1.0 . 4.5 1649 1246 A 74 ALA HB% A 75 ILE HB 1.0 . 5.5 1650 1247 A 74 ALA HB% A 75 ILE H 1.0 . 2.7 1651 1248 A 74 ALA HA A 77 GLU HGy 1.0 . 4.5 1652 1249 A 74 ALA HA A 77 GLU HGx 1.0 . 4.5 1653 1250 A 74 ALA HA A 77 GLU HB2 1.0 . 2.7 1654 1250 A 74 ALA HA A 77 GLU HB3 1.0 . 2.7 1655 1251 A 75 ILE HB A 75 ILE HA 1.0 . 3.5 1656 1252 A 75 ILE HA A 75 ILE HG13 1.0 . 2.7 1657 1253 A 75 ILE H A 75 ILE HA 1.0 . 2.7 1658 1254 A 75 ILE H A 75 ILE HB 1.0 . 2.7 1659 1255 A 75 ILE HA A 76 LEU HA 1.0 . 5.5 1660 1256 A 75 ILE H A 77 GLU H 1.0 . 5.5 1661 1257 A 75 ILE HA A 78 HIS HA 1.0 . 5.5 1662 1258 A 75 ILE HA A 78 HIS HBx 1.0 . 2.7 1663 1259 A 75 ILE HA A 78 HIS HBy 1.0 . 2.7 1664 1260 A 76 LEU HDx% A 76 LEU HA 1.0 . 2.7 1665 1261 A 77 GLU H A 76 LEU HBy 1.0 . 4.5 1666 1261 A 77 GLU H A 76 LEU HBx 1.0 . 4.5 1667 1262 A 76 LEU HA A 79 HIS HBx 1.0 . 4.5 1668 1262 A 76 LEU HA A 79 HIS HBy 1.0 . 4.5 1669 1263 A 77 GLU HGx A 77 GLU HA 1.0 . 3.5 1670 1264 A 77 GLU H A 77 GLU HA 1.0 . 2.7 1671 1265 A 77 GLU H A 77 GLU HB2 1.0 . 2.7 1672 1265 A 77 GLU HB3 A 77 GLU H 1.0 . 2.7 1673 1266 A 78 HIS HA A 78 HIS HBx 1.0 . 2.7 1674 1267 A 78 HIS HA A 78 HIS HBy 1.0 . 3.5 1675 1268 A 78 HIS H A 78 HIS HBy 1.0 . 2.7 1676 1268 A 78 HIS HBx A 78 HIS H 1.0 . 2.7 stop_ save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 1 MET C A 2 ALA N A 2 ALA CA A 2 ALA C 1.0 -180.0 0.0 PHI 2 2 A 4 PRO C A 5 TRP N A 5 TRP CA A 5 TRP C 1.0 -180.0 0.0 PHI 3 3 A 5 TRP C A 6 SER N A 6 SER CA A 6 SER C 1.0 -180.0 0.0 PHI 4 4 A 7 GLY C A 8 TYR N A 8 TYR CA A 8 TYR C 1.0 -180.0 0.0 PHI 5 5 A 8 TYR C A 9 LEU N A 9 LEU CA A 9 LEU C 1.0 -180.0 0.0 PHI 6 6 A 9 LEU C A 10 ASP N A 10 ASP CA A 10 ASP C 1.0 -180.0 0.0 PHI 7 7 A 10 ASP C A 11 ASP N A 11 ASP CA A 11 ASP C 1.0 -180.0 0.0 PHI 8 8 A 11 ASP C A 12 VAL N A 12 VAL CA A 12 VAL C 1.0 -180.0 0.0 PHI 9 9 A 12 VAL C A 13 SER N A 13 SER CA A 13 SER C 1.0 -180.0 0.0 PHI 10 10 A 13 SER C A 14 ALA N A 14 ALA CA A 14 ALA C 1.0 -180.0 0.0 PHI 11 11 A 14 ALA C A 15 LYS N A 15 LYS CA A 15 LYS C 1.0 -180.0 0.0 PHI 12 12 A 15 LYS C A 16 PHE N A 16 PHE CA A 16 PHE C 1.0 -180.0 0.0 PHI 13 13 A 16 PHE C A 17 ASP N A 17 ASP CA A 17 ASP C 1.0 -180.0 0.0 PHI 14 14 A 17 ASP C A 18 THR N A 18 THR CA A 18 THR C 1.0 -180.0 0.0 PHI 15 15 A 19 GLY C A 20 VAL N A 20 VAL CA A 20 VAL C 1.0 -180.0 0.0 PHI 16 16 A 20 VAL C A 21 ASP N A 21 ASP CA A 21 ASP C 1.0 -80.0 -40.0 PHI 17 17 A 21 ASP N A 21 ASP CA A 21 ASP C A 22 ASN N 1.0 -60.0 -20.0 PSI 18 18 A 21 ASP C A 22 ASN N A 22 ASN CA A 22 ASN C 1.0 -80.0 -40.0 PHI 19 19 A 22 ASN N A 22 ASN CA A 22 ASN C A 23 LEU N 1.0 -60.0 -20.0 PSI 20 20 A 22 ASN C A 23 LEU N A 23 LEU CA A 23 LEU C 1.0 -80.0 -40.0 PHI 21 21 A 23 LEU N A 23 LEU CA A 23 LEU C A 24 GLN N 1.0 -60.0 -20.0 PSI 22 22 A 23 LEU C A 24 GLN N A 24 GLN CA A 24 GLN C 1.0 -80.0 -40.0 PHI 23 23 A 24 GLN N A 24 GLN CA A 24 GLN C A 25 THR N 1.0 -60.0 -20.0 PSI 24 24 A 24 GLN C A 25 THR N A 25 THR CA A 25 THR C 1.0 -80.0 -40.0 PHI 25 25 A 25 THR N A 25 THR CA A 25 THR C A 26 GLN N 1.0 -60.0 -20.0 PSI 26 26 A 25 THR C A 26 GLN N A 26 GLN CA A 26 GLN C 1.0 -80.0 -40.0 PHI 27 27 A 26 GLN N A 26 GLN CA A 26 GLN C A 27 VAL N 1.0 -60.0 -20.0 PSI 28 28 A 26 GLN C A 27 VAL N A 27 VAL CA A 27 VAL C 1.0 -80.0 -40.0 PHI 29 29 A 27 VAL N A 27 VAL CA A 27 VAL C A 28 THR N 1.0 -60.0 -20.0 PSI 30 30 A 27 VAL C A 28 THR N A 28 THR CA A 28 THR C 1.0 -80.0 -40.0 PHI 31 31 A 28 THR N A 28 THR CA A 28 THR C A 29 GLU N 1.0 -60.0 -20.0 PSI 32 32 A 28 THR C A 29 GLU N A 29 GLU CA A 29 GLU C 1.0 -80.0 -40.0 PHI 33 33 A 29 GLU N A 29 GLU CA A 29 GLU C A 30 ALA N 1.0 -60.0 -20.0 PSI 34 34 A 29 GLU C A 30 ALA N A 30 ALA CA A 30 ALA C 1.0 -80.0 -40.0 PHI 35 35 A 30 ALA N A 30 ALA CA A 30 ALA C A 31 LEU N 1.0 -60.0 -20.0 PSI 36 36 A 30 ALA C A 31 LEU N A 31 LEU CA A 31 LEU C 1.0 -80.0 -40.0 PHI 37 37 A 31 LEU N A 31 LEU CA A 31 LEU C A 32 ASP N 1.0 -60.0 -20.0 PSI 38 38 A 31 LEU C A 32 ASP N A 32 ASP CA A 32 ASP C 1.0 -80.0 -40.0 PHI 39 39 A 32 ASP N A 32 ASP CA A 32 ASP C A 33 LYS N 1.0 -60.0 -20.0 PSI 40 40 A 32 ASP C A 33 LYS N A 33 LYS CA A 33 LYS C 1.0 -80.0 -40.0 PHI 41 41 A 33 LYS N A 33 LYS CA A 33 LYS C A 34 LEU N 1.0 -60.0 -20.0 PSI 42 42 A 33 LYS C A 34 LEU N A 34 LEU CA A 34 LEU C 1.0 -80.0 -40.0 PHI 43 43 A 34 LEU N A 34 LEU CA A 34 LEU C A 35 ALA N 1.0 -60.0 -20.0 PSI 44 44 A 34 LEU C A 35 ALA N A 35 ALA CA A 35 ALA C 1.0 -80.0 -40.0 PHI 45 45 A 35 ALA N A 35 ALA CA A 35 ALA C A 36 ALA N 1.0 -60.0 -20.0 PSI 46 46 A 35 ALA C A 36 ALA N A 36 ALA CA A 36 ALA C 1.0 -80.0 -40.0 PHI 47 47 A 36 ALA N A 36 ALA CA A 36 ALA C A 37 LYS N 1.0 -60.0 -20.0 PSI 48 48 A 36 ALA C A 37 LYS N A 37 LYS CA A 37 LYS C 1.0 -180.0 0.0 PHI 49 49 A 38 PRO C A 39 SER N A 39 SER CA A 39 SER C 1.0 -180.0 0.0 PHI 50 50 A 42 ALA C A 43 LEU N A 43 LEU CA A 43 LEU C 1.0 -80.0 -40.0 PHI 51 51 A 43 LEU N A 43 LEU CA A 43 LEU C A 44 LEU N 1.0 -60.0 -20.0 PSI 52 52 A 43 LEU C A 44 LEU N A 44 LEU CA A 44 LEU C 1.0 -80.0 -40.0 PHI 53 53 A 44 LEU N A 44 LEU CA A 44 LEU C A 45 ALA N 1.0 -60.0 -20.0 PSI 54 54 A 44 LEU C A 45 ALA N A 45 ALA CA A 45 ALA C 1.0 -80.0 -40.0 PHI 55 55 A 45 ALA N A 45 ALA CA A 45 ALA C A 46 ALA N 1.0 -60.0 -20.0 PSI 56 56 A 45 ALA C A 46 ALA N A 46 ALA CA A 46 ALA C 1.0 -80.0 -40.0 PHI 57 57 A 46 ALA N A 46 ALA CA A 46 ALA C A 47 TYR N 1.0 -60.0 -20.0 PSI 58 58 A 46 ALA C A 47 TYR N A 47 TYR CA A 47 TYR C 1.0 -80.0 -40.0 PHI 59 59 A 47 TYR N A 47 TYR CA A 47 TYR C A 48 GLN N 1.0 -60.0 -20.0 PSI 60 60 A 47 TYR C A 48 GLN N A 48 GLN CA A 48 GLN C 1.0 -80.0 -40.0 PHI 61 61 A 48 GLN N A 48 GLN CA A 48 GLN C A 49 SER N 1.0 -60.0 -20.0 PSI 62 62 A 48 GLN C A 49 SER N A 49 SER CA A 49 SER C 1.0 -80.0 -40.0 PHI 63 63 A 49 SER N A 49 SER CA A 49 SER C A 50 LYS N 1.0 -60.0 -20.0 PSI 64 64 A 49 SER C A 50 LYS N A 50 LYS CA A 50 LYS C 1.0 -80.0 -40.0 PHI 65 65 A 50 LYS N A 50 LYS CA A 50 LYS C A 51 LEU N 1.0 -60.0 -20.0 PSI 66 66 A 50 LYS C A 51 LEU N A 51 LEU CA A 51 LEU C 1.0 -80.0 -40.0 PHI 67 67 A 51 LEU N A 51 LEU CA A 51 LEU C A 52 SER N 1.0 -60.0 -20.0 PSI 68 68 A 51 LEU C A 52 SER N A 52 SER CA A 52 SER C 1.0 -80.0 -40.0 PHI 69 69 A 52 SER N A 52 SER CA A 52 SER C A 53 GLU N 1.0 -60.0 -20.0 PSI 70 70 A 52 SER C A 53 GLU N A 53 GLU CA A 53 GLU C 1.0 -80.0 -40.0 PHI 71 71 A 53 GLU N A 53 GLU CA A 53 GLU C A 54 TYR N 1.0 -60.0 -20.0 PSI 72 72 A 53 GLU C A 54 TYR N A 54 TYR CA A 54 TYR C 1.0 -80.0 -40.0 PHI 73 73 A 54 TYR N A 54 TYR CA A 54 TYR C A 55 ASN N 1.0 -60.0 -20.0 PSI 74 74 A 54 TYR C A 55 ASN N A 55 ASN CA A 55 ASN C 1.0 -80.0 -40.0 PHI 75 75 A 55 ASN N A 55 ASN CA A 55 ASN C A 56 LEU N 1.0 -60.0 -20.0 PSI 76 76 A 55 ASN C A 56 LEU N A 56 LEU CA A 56 LEU C 1.0 -80.0 -40.0 PHI 77 77 A 56 LEU N A 56 LEU CA A 56 LEU C A 57 TYR N 1.0 -60.0 -20.0 PSI 78 78 A 56 LEU C A 57 TYR N A 57 TYR CA A 57 TYR C 1.0 -80.0 -40.0 PHI 79 79 A 57 TYR N A 57 TYR CA A 57 TYR C A 58 ARG N 1.0 -60.0 -20.0 PSI 80 80 A 57 TYR C A 58 ARG N A 58 ARG CA A 58 ARG C 1.0 -80.0 -40.0 PHI 81 81 A 58 ARG N A 58 ARG CA A 58 ARG C A 59 ASN N 1.0 -60.0 -20.0 PSI 82 82 A 58 ARG C A 59 ASN N A 59 ASN CA A 59 ASN C 1.0 -80.0 -40.0 PHI 83 83 A 59 ASN N A 59 ASN CA A 59 ASN C A 60 ALA N 1.0 -60.0 -20.0 PSI 84 84 A 64 THR C A 65 VAL N A 65 VAL CA A 65 VAL C 1.0 -180.0 0.0 PHI 85 85 A 65 VAL C A 66 LYS N A 66 LYS CA A 66 LYS C 1.0 -180.0 0.0 PHI 86 86 A 67 VAL C A 68 PHE N A 68 PHE CA A 68 PHE C 1.0 -180.0 0.0 PHI 87 87 A 68 PHE C A 69 LYS N A 69 LYS CA A 69 LYS C 1.0 -180.0 0.0 PHI 88 88 A 69 LYS C A 70 ASP N A 70 ASP CA A 70 ASP C 1.0 -180.0 0.0 PHI 89 89 A 70 ASP C A 71 ILE N A 71 ILE CA A 71 ILE C 1.0 -180.0 0.0 PHI 90 90 A 71 ILE C A 72 ASP N A 72 ASP CA A 72 ASP C 1.0 -180.0 0.0 PHI 91 91 A 72 ASP C A 73 ALA N A 73 ALA CA A 73 ALA C 1.0 -180.0 0.0 PHI 92 92 A 73 ALA C A 74 ALA N A 74 ALA CA A 74 ALA C 1.0 -180.0 0.0 PHI 93 93 A 74 ALA C A 75 ILE N A 75 ILE CA A 75 ILE C 1.0 -180.0 0.0 PHI 94 94 A 75 ILE C A 76 LEU N A 76 LEU CA A 76 LEU C 1.0 -180.0 0.0 PHI 95 95 A 76 LEU C A 77 GLU N A 77 GLU CA A 77 GLU C 1.0 -180.0 0.0 PHI 96 96 A 77 GLU C A 78 HIS N A 78 HIS CA A 78 HIS C 1.0 -180.0 0.0 PHI 97 97 A 78 HIS C A 79 HIS N A 79 HIS CA A 79 HIS C 1.0 -180.0 0.0 PHI 98 98 A 79 HIS C A 80 HIS N A 80 HIS CA A 80 HIS C 1.0 -180.0 0.0 PHI 99 99 A 80 HIS C A 81 HIS N A 81 HIS CA A 81 HIS C 1.0 -180.0 0.0 PHI 100 100 A 81 HIS C A 82 HIS N A 82 HIS CA A 82 HIS C 1.0 -180.0 0.0 PHI 101 101 A 82 HIS C A 83 HIS N A 83 HIS CA A 83 HIS C 1.0 -180.0 0.0 PHI stop_ save_