data_18734 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18734 _Entry.PDB_ID 2LZ0 save_ save_delta_chem_shifts _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts _Entity_delta_chem_shifts.Model_type single _Entity_delta_chem_shifts.Entry_ID 18734 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 SER HA H 2 4.373 4.373 5.054 -0.681 18734 2 1 1 . 1 1 2 2 SER CA C 2 55.756 55.756 57.543 -1.787 18734 3 1 1 . 1 1 2 2 SER CB C 2 61.143 61.143 65.428 -4.285 18734 4 1 1 . 1 1 3 3 HIS HA H 3 4.613 4.613 4.899 -0.286 18734 5 1 1 . 1 1 3 3 HIS CA C 3 52.991 52.991 56.194 -3.203 18734 6 1 1 . 1 1 3 3 HIS CB C 3 26.607 26.607 30.462 -3.855 18734 7 1 1 . 1 1 4 4 GLU N N 4 122.124 122.124 120.441 1.683 18734 8 1 1 . 1 1 4 4 GLU HA H 4 4.171 4.171 4.530 -0.359 18734 9 1 1 . 1 1 4 4 GLU CA C 4 54.441 54.441 55.897 -1.456 18734 10 1 1 . 1 1 4 4 GLU CB C 4 27.585 27.585 31.940 -4.355 18734 11 1 1 . 1 1 4 4 GLU H H 4 8.415 8.415 8.117 0.298 18734 12 1 1 . 1 1 5 5 GLY N N 5 110.434 110.434 107.925 2.509 18734 13 1 1 . 1 1 5 5 GLY CA C 5 42.610 42.610 45.312 -2.702 18734 14 1 1 . 1 1 5 5 GLY H H 5 8.488 8.488 8.174 0.314 18734 15 1 1 . 1 1 6 6 GLU N N 6 121.376 121.376 121.167 0.209 18734 16 1 1 . 1 1 6 6 GLU HA H 6 4.560 4.560 4.538 0.022 18734 17 1 1 . 1 1 6 6 GLU CA C 6 51.629 51.629 53.143 -1.514 18734 18 1 1 . 1 1 6 6 GLU CB C 6 26.998 26.998 29.918 -2.920 18734 19 1 1 . 1 1 6 6 GLU H H 6 7.954 7.954 8.310 -0.356 18734 20 1 1 . 1 1 7 7 PRO HA H 7 4.464 4.464 4.407 0.057 18734 21 1 1 . 1 1 7 7 PRO CA C 7 60.517 60.517 62.297 -1.780 18734 22 1 1 . 1 1 7 7 PRO CB C 7 29.486 29.486 30.465 -0.979 18734 23 1 1 . 1 1 8 8 VAL N N 8 120.493 120.493 121.176 -0.683 18734 24 1 1 . 1 1 8 8 VAL HA H 8 4.387 4.387 4.389 -0.002 18734 25 1 1 . 1 1 8 8 VAL CA C 8 58.483 58.483 60.026 -1.543 18734 26 1 1 . 1 1 8 8 VAL CB C 8 31.177 31.177 36.359 -5.182 18734 27 1 1 . 1 1 8 8 VAL H H 8 8.177 8.177 7.476 0.701 18734 28 1 1 . 1 1 9 9 VAL N N 9 124.516 124.516 126.989 -2.473 18734 29 1 1 . 1 1 9 9 VAL HA H 9 4.024 4.024 4.585 -0.561 18734 30 1 1 . 1 1 9 9 VAL CA C 9 60.336 60.336 61.726 -1.390 18734 31 1 1 . 1 1 9 9 VAL CB C 9 29.995 29.995 31.657 -1.663 18734 32 1 1 . 1 1 9 9 VAL H H 9 8.246 8.246 8.595 -0.349 18734 33 1 1 . 1 1 10 10 GLY N N 10 114.968 114.968 116.908 -1.940 18734 34 1 1 . 1 1 10 10 GLY CA C 10 42.318 42.318 45.336 -3.018 18734 35 1 1 . 1 1 10 10 GLY H H 10 8.595 8.595 7.978 0.617 18734 36 1 1 . 1 1 11 11 MET N N 11 120.532 120.532 118.921 1.611 18734 37 1 1 . 1 1 11 11 MET CA C 11 53.802 53.802 56.783 -2.981 18734 38 1 1 . 1 1 11 11 MET CB C 11 30.698 30.698 31.505 -0.807 18734 39 1 1 . 1 1 11 11 MET H H 11 8.320 8.320 8.387 -0.067 18734 40 1 1 . 1 1 12 12 ASP N N 12 120.515 120.515 118.117 2.398 18734 41 1 1 . 1 1 12 12 ASP HA H 12 4.637 4.637 4.827 -0.190 18734 42 1 1 . 1 1 12 12 ASP CB C 12 38.090 38.090 43.849 -5.759 18734 43 1 1 . 1 1 12 12 ASP H H 12 8.261 8.261 7.938 0.323 18734 44 1 1 . 1 1 13 13 LYS N N 13 123.685 123.685 118.463 5.222 18734 45 1 1 . 1 1 13 13 LYS HA H 13 4.623 4.623 4.802 -0.179 18734 46 1 1 . 1 1 13 13 LYS CA C 13 50.898 50.898 56.535 -5.637 18734 47 1 1 . 1 1 13 13 LYS CB C 13 30.003 30.003 34.047 -4.044 18734 48 1 1 . 1 1 13 13 LYS H H 13 8.579 8.579 8.576 0.003 18734 49 1 1 . 1 1 14 14 SER N N 14 115.048 115.048 115.900 -0.852 18734 50 1 1 . 1 1 14 14 SER HA H 14 4.447 4.447 4.557 -0.110 18734 51 1 1 . 1 1 14 14 SER CA C 14 56.917 56.917 59.842 -2.925 18734 52 1 1 . 1 1 14 14 SER CB C 14 61.536 61.536 63.802 -2.266 18734 53 1 1 . 1 1 14 14 SER H H 14 8.507 8.507 8.862 -0.355 18734 54 1 1 . 1 1 15 15 LEU N N 15 119.294 119.294 122.615 -3.321 18734 55 1 1 . 1 1 15 15 LEU HA H 15 3.989 3.989 4.248 -0.259 18734 56 1 1 . 1 1 15 15 LEU CA C 15 53.219 53.219 54.617 -1.398 18734 57 1 1 . 1 1 15 15 LEU CB C 15 39.813 39.813 38.483 1.331 18734 58 1 1 . 1 1 15 15 LEU H H 15 6.908 6.908 8.241 -1.333 18734 59 1 1 . 1 1 16 16 PHE N N 16 117.103 117.103 121.226 -4.123 18734 60 1 1 . 1 1 16 16 PHE HA H 16 4.397 4.397 4.654 -0.257 18734 61 1 1 . 1 1 16 16 PHE CA C 16 56.719 56.719 58.784 -2.065 18734 62 1 1 . 1 1 16 16 PHE CB C 16 37.917 37.917 39.993 -2.076 18734 63 1 1 . 1 1 16 16 PHE H H 16 7.658 7.658 8.536 -0.878 18734 64 1 1 . 1 1 17 17 ALA N N 17 120.694 120.694 123.864 -3.170 18734 65 1 1 . 1 1 17 17 ALA HA H 17 3.964 3.964 4.403 -0.439 18734 66 1 1 . 1 1 17 17 ALA CA C 17 51.840 51.840 52.963 -1.123 18734 67 1 1 . 1 1 17 17 ALA CB C 17 15.004 15.004 16.515 -1.511 18734 68 1 1 . 1 1 17 17 ALA H H 17 7.514 7.514 8.107 -0.593 18734 69 1 1 . 1 1 18 18 GLY N N 18 110.007 110.007 110.100 -0.093 18734 70 1 1 . 1 1 18 18 GLY CA C 18 43.150 43.150 45.906 -2.756 18734 71 1 1 . 1 1 18 18 GLY H H 18 8.204 8.204 8.454 -0.250 18734 72 1 1 . 1 1 19 19 ASN N N 19 119.323 119.323 121.751 -2.428 18734 73 1 1 . 1 1 19 19 ASN HA H 19 4.733 4.733 4.793 -0.060 18734 74 1 1 . 1 1 19 19 ASN CB C 19 36.020 36.020 38.612 -2.592 18734 75 1 1 . 1 1 19 19 ASN H H 19 8.124 8.124 7.916 0.208 18734 76 1 1 . 1 1 20 20 THR N N 20 116.844 116.844 115.283 1.561 18734 77 1 1 . 1 1 20 20 THR HA H 20 4.243 4.243 4.145 0.098 18734 78 1 1 . 1 1 20 20 THR CA C 20 60.224 60.224 63.796 -3.572 18734 79 1 1 . 1 1 20 20 THR CB C 20 66.167 66.167 69.001 -2.834 18734 80 1 1 . 1 1 20 20 THR H H 20 8.400 8.400 8.183 0.217 18734 81 1 1 . 1 1 21 21 VAL N N 21 117.661 117.661 118.147 -0.486 18734 82 1 1 . 1 1 21 21 VAL HA H 21 4.161 4.161 4.295 -0.134 18734 83 1 1 . 1 1 21 21 VAL CA C 21 59.739 59.739 61.296 -1.557 18734 84 1 1 . 1 1 21 21 VAL CB C 21 31.224 31.224 31.536 -0.312 18734 85 1 1 . 1 1 21 21 VAL H H 21 8.412 8.412 7.528 0.884 18734 86 1 1 . 1 1 22 22 ILE N N 22 120.465 120.465 122.670 -2.205 18734 87 1 1 . 1 1 22 22 ILE HA H 22 3.873 3.873 4.374 -0.501 18734 88 1 1 . 1 1 22 22 ILE CA C 22 59.860 59.860 59.515 0.345 18734 89 1 1 . 1 1 22 22 ILE CB C 22 37.052 37.052 37.813 -0.761 18734 90 1 1 . 1 1 22 22 ILE H H 22 7.300 7.300 7.833 -0.533 18734 91 1 1 . 1 1 23 23 ARG N N 23 122.168 122.168 125.704 -3.536 18734 92 1 1 . 1 1 23 23 ARG HA H 23 4.940 4.940 4.320 0.620 18734 93 1 1 . 1 1 23 23 ARG CA C 23 54.175 54.175 58.267 -4.092 18734 94 1 1 . 1 1 23 23 ARG CB C 23 30.921 30.921 30.808 0.113 18734 95 1 1 . 1 1 23 23 ARG H H 23 8.328 8.328 8.343 -0.015 18734 96 1 1 . 1 1 24 24 GLU N N 24 117.968 117.968 116.003 1.965 18734 97 1 1 . 1 1 24 24 GLU HA H 24 5.100 5.100 4.765 0.335 18734 98 1 1 . 1 1 24 24 GLU CA C 24 51.948 51.948 55.219 -3.271 18734 99 1 1 . 1 1 24 24 GLU CB C 24 30.737 30.737 33.806 -3.069 18734 100 1 1 . 1 1 24 24 GLU H H 24 7.474 7.474 7.749 -0.275 18734 101 1 1 . 1 1 25 25 ILE N N 25 121.135 121.135 125.616 -4.481 18734 102 1 1 . 1 1 25 25 ILE HA H 25 4.205 4.205 4.463 -0.258 18734 103 1 1 . 1 1 25 25 ILE CA C 25 57.149 57.149 60.041 -2.892 18734 104 1 1 . 1 1 25 25 ILE CB C 25 39.882 39.882 40.403 -0.521 18734 105 1 1 . 1 1 25 25 ILE H H 25 7.591 7.591 8.265 -0.674 18734 106 1 1 . 1 1 26 26 THR N N 26 122.935 122.935 124.021 -1.086 18734 107 1 1 . 1 1 26 26 THR HA H 26 4.999 4.999 4.570 0.429 18734 108 1 1 . 1 1 26 26 THR CA C 26 59.185 59.185 63.336 -4.151 18734 109 1 1 . 1 1 26 26 THR CB C 26 67.259 67.259 69.380 -2.121 18734 110 1 1 . 1 1 26 26 THR H H 26 8.243 8.243 8.649 -0.406 18734 111 1 1 . 1 1 27 27 VAL N N 27 124.220 124.220 122.977 1.243 18734 112 1 1 . 1 1 27 27 VAL HA H 27 4.421 4.421 4.520 -0.099 18734 113 1 1 . 1 1 27 27 VAL CA C 27 58.144 58.144 60.272 -2.128 18734 114 1 1 . 1 1 27 27 VAL CB C 27 30.727 30.727 35.479 -4.752 18734 115 1 1 . 1 1 27 27 VAL H H 27 9.216 9.216 8.812 0.404 18734 116 1 1 . 1 1 28 28 GLN N N 28 129.280 129.280 123.242 6.038 18734 117 1 1 . 1 1 28 28 GLN HA H 28 4.702 4.702 5.386 -0.684 18734 118 1 1 . 1 1 28 28 GLN CB C 28 25.480 25.480 30.114 -4.634 18734 119 1 1 . 1 1 28 28 GLN H H 28 8.782 8.782 8.663 0.119 18734 120 1 1 . 1 1 29 29 PRO HA H 29 3.457 3.457 3.124 0.333 18734 121 1 1 . 1 1 29 29 PRO CA C 29 60.712 60.712 62.544 -1.832 18734 122 1 1 . 1 1 29 29 PRO CB C 29 30.122 30.122 32.119 -1.997 18734 123 1 1 . 1 1 30 30 ASN N N 30 113.396 113.396 114.431 -1.035 18734 124 1 1 . 1 1 30 30 ASN HA H 30 4.329 4.329 4.154 0.175 18734 125 1 1 . 1 1 30 30 ASN CA C 30 51.999 51.999 54.956 -2.957 18734 126 1 1 . 1 1 30 30 ASN CB C 30 34.627 34.627 37.399 -2.772 18734 127 1 1 . 1 1 30 30 ASN H H 30 8.199 8.199 8.491 -0.292 18734 128 1 1 . 1 1 31 31 ILE N N 31 115.907 115.907 120.176 -4.269 18734 129 1 1 . 1 1 31 31 ILE HA H 31 4.395 4.395 4.259 0.136 18734 130 1 1 . 1 1 31 31 ILE CA C 31 57.434 57.434 59.348 -1.914 18734 131 1 1 . 1 1 31 31 ILE CB C 31 36.859 36.859 37.133 -0.274 18734 132 1 1 . 1 1 31 31 ILE H H 31 8.201 8.201 7.785 0.416 18734 133 1 1 . 1 1 32 32 GLY N N 32 111.217 111.217 111.519 -0.302 18734 134 1 1 . 1 1 32 32 GLY CA C 32 41.729 41.729 44.136 -2.406 18734 135 1 1 . 1 1 32 32 GLY H H 32 7.998 7.998 7.549 0.449 18734 136 1 1 . 1 1 33 33 LEU N N 33 120.007 120.007 122.011 -2.004 18734 137 1 1 . 1 1 33 33 LEU HA H 33 3.880 3.880 4.670 -0.790 18734 138 1 1 . 1 1 33 33 LEU CA C 33 53.595 53.595 53.548 0.047 18734 139 1 1 . 1 1 33 33 LEU CB C 33 40.528 40.528 42.369 -1.841 18734 140 1 1 . 1 1 33 33 LEU H H 33 7.820 7.820 8.228 -0.408 18734 141 1 1 . 1 1 34 34 LEU N N 34 128.106 128.106 129.456 -1.350 18734 142 1 1 . 1 1 34 34 LEU HA H 34 4.485 4.485 4.258 0.227 18734 143 1 1 . 1 1 34 34 LEU CA C 34 51.078 51.078 54.773 -3.696 18734 144 1 1 . 1 1 34 34 LEU CB C 34 37.447 37.447 39.327 -1.880 18734 145 1 1 . 1 1 34 34 LEU H H 34 8.551 8.551 8.731 -0.180 18734 146 1 1 . 1 1 35 35 TYR N N 35 121.473 121.473 122.320 -0.847 18734 147 1 1 . 1 1 35 35 TYR HA H 35 4.240 4.240 4.342 -0.102 18734 148 1 1 . 1 1 35 35 TYR CA C 35 53.814 53.814 56.200 -2.386 18734 149 1 1 . 1 1 35 35 TYR CB C 35 36.868 36.868 38.546 -1.678 18734 150 1 1 . 1 1 35 35 TYR H H 35 6.363 6.363 7.998 -1.635 18734 151 1 1 . 1 1 36 36 ASP N N 36 119.590 119.590 116.641 2.949 18734 152 1 1 . 1 1 36 36 ASP HA H 36 3.980 3.980 4.248 -0.268 18734 153 1 1 . 1 1 36 36 ASP CA C 36 52.760 52.760 54.047 -1.287 18734 154 1 1 . 1 1 36 36 ASP CB C 36 37.119 37.119 41.569 -4.450 18734 155 1 1 . 1 1 36 36 ASP H H 36 8.573 8.573 8.022 0.551 18734 156 1 1 . 1 1 37 37 GLY N N 37 108.636 108.636 108.754 -0.118 18734 157 1 1 . 1 1 37 37 GLY CA C 37 44.335 44.335 45.967 -1.632 18734 158 1 1 . 1 1 37 37 GLY H H 37 7.903 7.903 8.601 -0.698 18734 159 1 1 . 1 1 38 38 MET N N 38 120.339 120.339 118.328 2.011 18734 160 1 1 . 1 1 38 38 MET HA H 38 3.631 3.631 3.856 -0.225 18734 161 1 1 . 1 1 38 38 MET CA C 38 56.101 56.101 58.706 -2.605 18734 162 1 1 . 1 1 38 38 MET CB C 38 29.166 29.166 32.210 -3.044 18734 163 1 1 . 1 1 38 38 MET H H 38 7.873 7.873 7.339 0.534 18734 164 1 1 . 1 1 39 39 PHE N N 39 115.430 115.430 112.821 2.609 18734 165 1 1 . 1 1 39 39 PHE HA H 39 4.908 4.908 4.821 0.087 18734 166 1 1 . 1 1 39 39 PHE CA C 39 52.898 52.898 55.381 -2.483 18734 167 1 1 . 1 1 39 39 PHE CB C 39 36.647 36.647 38.809 -2.162 18734 168 1 1 . 1 1 39 39 PHE H H 39 8.504 8.504 7.731 0.773 18734 169 1 1 . 1 1 40 40 SER N N 40 113.647 113.647 117.461 -3.814 18734 170 1 1 . 1 1 40 40 SER HA H 40 4.238 4.238 4.211 0.027 18734 171 1 1 . 1 1 40 40 SER CA C 40 56.954 56.954 60.114 -3.160 18734 172 1 1 . 1 1 40 40 SER CB C 40 60.458 60.458 63.026 -2.568 18734 173 1 1 . 1 1 40 40 SER H H 40 7.264 7.264 7.682 -0.418 18734 174 1 1 . 1 1 41 41 GLY N N 41 115.225 115.225 111.638 3.587 18734 175 1 1 . 1 1 41 41 GLY CA C 41 42.941 42.941 45.362 -2.421 18734 176 1 1 . 1 1 41 41 GLY H H 41 9.110 9.110 8.506 0.604 18734 177 1 1 . 1 1 42 42 CYS N N 42 120.385 120.385 120.418 -0.033 18734 178 1 1 . 1 1 42 42 CYS HA H 42 4.761 4.761 4.547 0.214 18734 179 1 1 . 1 1 42 42 CYS CB C 42 23.867 23.867 25.203 -1.337 18734 180 1 1 . 1 1 42 42 CYS H H 42 7.929 7.929 7.961 -0.032 18734 181 1 1 . 1 1 43 43 THR N N 43 113.920 113.920 115.521 -1.601 18734 182 1 1 . 1 1 43 43 THR HA H 43 3.863 3.863 4.122 -0.259 18734 183 1 1 . 1 1 43 43 THR CA C 43 61.663 61.663 63.934 -2.271 18734 184 1 1 . 1 1 43 43 THR CB C 43 66.027 66.027 68.629 -2.602 18734 185 1 1 . 1 1 43 43 THR H H 43 7.495 7.495 8.675 -1.180 18734 186 1 1 . 1 1 44 44 ALA N N 44 123.479 123.479 124.777 -1.298 18734 187 1 1 . 1 1 44 44 ALA HA H 44 4.477 4.477 4.560 -0.083 18734 188 1 1 . 1 1 44 44 ALA CA C 44 48.198 48.198 51.272 -3.074 18734 189 1 1 . 1 1 44 44 ALA CB C 44 17.096 17.096 20.124 -3.028 18734 190 1 1 . 1 1 44 44 ALA H H 44 8.551 8.551 7.874 0.677 18734 191 1 1 . 1 1 45 45 LEU N N 45 121.070 121.070 122.760 -1.690 18734 192 1 1 . 1 1 45 45 LEU HA H 45 3.981 3.981 4.949 -0.968 18734 193 1 1 . 1 1 45 45 LEU CA C 45 53.838 53.838 54.598 -0.760 18734 194 1 1 . 1 1 45 45 LEU CB C 45 40.243 40.243 44.137 -3.894 18734 195 1 1 . 1 1 45 45 LEU H H 45 6.819 6.819 7.703 -0.884 18734 196 1 1 . 1 1 46 46 GLU N N 46 128.627 128.627 125.487 3.140 18734 197 1 1 . 1 1 46 46 GLU HA H 46 4.511 4.511 4.739 -0.228 18734 198 1 1 . 1 1 46 46 GLU CA C 46 54.357 54.357 55.674 -1.317 18734 199 1 1 . 1 1 46 46 GLU CB C 46 29.883 29.883 31.359 -1.476 18734 200 1 1 . 1 1 46 46 GLU H H 46 9.401 9.401 8.035 1.366 18734 201 1 1 . 1 1 47 47 LYS N N 47 116.297 116.297 118.282 -1.985 18734 202 1 1 . 1 1 47 47 LYS HA H 47 5.128 5.128 4.681 0.447 18734 203 1 1 . 1 1 47 47 LYS CA C 47 52.808 52.808 55.478 -2.670 18734 204 1 1 . 1 1 47 47 LYS CB C 47 35.325 35.325 36.650 -1.325 18734 205 1 1 . 1 1 47 47 LYS H H 47 7.171 7.171 7.738 -0.567 18734 206 1 1 . 1 1 48 48 LEU N N 48 125.474 125.474 122.693 2.781 18734 207 1 1 . 1 1 48 48 LEU HA H 48 4.403 4.403 4.939 -0.536 18734 208 1 1 . 1 1 48 48 LEU CA C 48 50.489 50.489 54.233 -3.744 18734 209 1 1 . 1 1 48 48 LEU CB C 48 41.991 41.991 46.303 -4.312 18734 210 1 1 . 1 1 48 48 LEU H H 48 8.715 8.715 8.179 0.536 18734 211 1 1 . 1 1 49 49 ILE N N 49 127.246 127.246 123.978 3.268 18734 212 1 1 . 1 1 49 49 ILE HA H 49 4.145 4.145 4.757 -0.612 18734 213 1 1 . 1 1 49 49 ILE CA C 49 58.314 58.314 59.878 -1.564 18734 214 1 1 . 1 1 49 49 ILE CB C 49 36.125 36.125 41.874 -5.749 18734 215 1 1 . 1 1 49 49 ILE H H 49 9.131 9.131 8.866 0.265 18734 216 1 1 . 1 1 50 50 LEU N N 50 128.685 128.685 125.303 3.382 18734 217 1 1 . 1 1 50 50 LEU HA H 50 4.417 4.417 5.106 -0.689 18734 218 1 1 . 1 1 50 50 LEU CA C 50 50.414 50.414 53.789 -3.375 18734 219 1 1 . 1 1 50 50 LEU CB C 50 36.390 36.390 43.094 -6.704 18734 220 1 1 . 1 1 50 50 LEU H H 50 8.553 8.553 8.343 0.210 18734 221 1 1 . 1 1 51 51 THR N N 51 109.751 109.751 113.449 -3.698 18734 222 1 1 . 1 1 51 51 THR HA H 51 3.935 3.935 4.468 -0.533 18734 223 1 1 . 1 1 51 51 THR CA C 51 60.194 60.194 61.535 -1.341 18734 224 1 1 . 1 1 51 51 THR CB C 51 66.107 66.107 68.573 -2.466 18734 225 1 1 . 1 1 51 51 THR H H 51 6.964 6.964 8.864 -1.900 18734 226 1 1 . 1 1 52 52 GLY N N 52 108.656 108.656 109.962 -1.306 18734 227 1 1 . 1 1 52 52 GLY CA C 52 42.432 42.432 44.151 -1.720 18734 228 1 1 . 1 1 52 52 GLY H H 52 8.409 8.409 7.315 1.094 18734 229 1 1 . 1 1 53 53 GLU N N 53 119.733 119.733 117.529 2.204 18734 230 1 1 . 1 1 53 53 GLU HA H 53 4.061 4.061 4.527 -0.466 18734 231 1 1 . 1 1 53 53 GLU CA C 53 54.296 54.296 56.358 -2.062 18734 232 1 1 . 1 1 53 53 GLU CB C 53 27.425 27.425 30.700 -3.275 18734 233 1 1 . 1 1 53 53 GLU H H 53 8.741 8.741 8.786 -0.045 18734 234 1 1 . 1 1 54 54 ASP N N 54 118.231 118.231 115.814 2.417 18734 235 1 1 . 1 1 54 54 ASP HA H 54 5.035 5.035 4.897 0.138 18734 236 1 1 . 1 1 54 54 ASP CA C 54 46.882 46.882 51.293 -4.411 18734 237 1 1 . 1 1 54 54 ASP CB C 54 39.822 39.822 43.184 -3.362 18734 238 1 1 . 1 1 54 54 ASP H H 54 8.309 8.309 7.762 0.547 18734 239 1 1 . 1 1 55 55 PRO HA H 55 3.920 3.920 3.435 0.485 18734 240 1 1 . 1 1 55 55 PRO CA C 55 61.140 61.140 63.999 -2.859 18734 241 1 1 . 1 1 55 55 PRO CB C 55 30.606 30.606 31.940 -1.334 18734 242 1 1 . 1 1 56 56 SER N N 56 108.966 108.966 114.824 -5.858 18734 243 1 1 . 1 1 56 56 SER HA H 56 4.494 4.494 4.299 0.195 18734 244 1 1 . 1 1 56 56 SER CA C 56 57.752 57.752 61.129 -3.377 18734 245 1 1 . 1 1 56 56 SER CB C 56 60.574 60.574 63.102 -2.528 18734 246 1 1 . 1 1 56 56 SER H H 56 7.998 7.998 8.108 -0.110 18734 247 1 1 . 1 1 57 57 ALA N N 57 123.346 123.346 121.819 1.527 18734 248 1 1 . 1 1 57 57 ALA HA H 57 4.197 4.197 4.372 -0.175 18734 249 1 1 . 1 1 57 57 ALA CA C 57 49.452 49.452 52.818 -3.366 18734 250 1 1 . 1 1 57 57 ALA CB C 57 17.341 17.341 19.425 -2.084 18734 251 1 1 . 1 1 57 57 ALA H H 57 7.770 7.770 7.677 0.093 18734 252 1 1 . 1 1 58 58 TYR N N 58 118.640 118.640 116.714 1.926 18734 253 1 1 . 1 1 58 58 TYR HA H 58 4.844 4.844 4.875 -0.031 18734 254 1 1 . 1 1 58 58 TYR CA C 58 54.841 54.841 57.631 -2.790 18734 255 1 1 . 1 1 58 58 TYR CB C 58 39.626 39.626 42.579 -2.953 18734 256 1 1 . 1 1 58 58 TYR H H 58 7.878 7.878 7.797 0.081 18734 257 1 1 . 1 1 59 59 SER N N 59 118.841 118.841 117.530 1.311 18734 258 1 1 . 1 1 59 59 SER HA H 59 4.584 4.584 4.715 -0.131 18734 259 1 1 . 1 1 59 59 SER CA C 59 54.332 54.332 57.603 -3.272 18734 260 1 1 . 1 1 59 59 SER CB C 59 62.866 62.866 65.754 -2.888 18734 261 1 1 . 1 1 59 59 SER H H 59 9.289 9.289 9.255 0.034 18734 262 1 1 . 1 1 60 60 ALA N N 60 125.034 125.034 126.192 -1.158 18734 263 1 1 . 1 1 60 60 ALA HA H 60 4.726 4.726 4.773 -0.047 18734 264 1 1 . 1 1 60 60 ALA CB C 60 20.233 20.233 20.213 0.020 18734 265 1 1 . 1 1 60 60 ALA H H 60 7.473 7.473 8.307 -0.834 18734 266 1 1 . 1 1 61 61 GLY N N 61 109.267 109.267 108.533 0.734 18734 267 1 1 . 1 1 61 61 GLY CA C 61 41.504 41.504 47.194 -5.690 18734 268 1 1 . 1 1 61 61 GLY H H 61 9.368 9.368 7.980 1.388 18734 269 1 1 . 1 1 62 62 ASP N N 62 121.898 121.898 120.336 1.562 18734 270 1 1 . 1 1 62 62 ASP HA H 62 4.673 4.673 4.787 -0.114 18734 271 1 1 . 1 1 62 62 ASP CB C 62 38.468 38.468 41.124 -2.656 18734 272 1 1 . 1 1 62 62 ASP H H 62 9.236 9.236 8.558 0.678 18734 273 1 1 . 1 1 63 63 GLY N N 63 111.438 111.438 109.036 2.402 18734 274 1 1 . 1 1 63 63 GLY CA C 63 43.099 43.099 45.184 -2.085 18734 275 1 1 . 1 1 63 63 GLY H H 63 8.774 8.774 8.084 0.690 18734 276 1 1 . 1 1 64 64 LEU N N 64 125.900 125.900 121.445 4.455 18734 277 1 1 . 1 1 64 64 LEU HA H 64 4.169 4.169 4.273 -0.104 18734 278 1 1 . 1 1 64 64 LEU CA C 64 56.103 56.103 57.283 -1.180 18734 279 1 1 . 1 1 64 64 LEU CB C 64 40.431 40.431 42.148 -1.717 18734 280 1 1 . 1 1 64 64 LEU H H 64 7.483 7.483 7.413 0.070 18734 281 1 1 . 1 1 65 65 ARG N N 65 111.696 111.696 113.199 -1.503 18734 282 1 1 . 1 1 65 65 ARG HA H 65 4.057 4.057 4.731 -0.674 18734 283 1 1 . 1 1 65 65 ARG CA C 65 51.787 51.787 53.808 -2.021 18734 284 1 1 . 1 1 65 65 ARG CB C 65 26.474 26.474 29.356 -2.882 18734 285 1 1 . 1 1 65 65 ARG H H 65 8.071 8.071 7.895 0.176 18734 286 1 1 . 1 1 66 66 ASP N N 66 120.559 120.559 122.890 -2.331 18734 287 1 1 . 1 1 66 66 ASP HA H 66 4.121 4.121 4.369 -0.248 18734 288 1 1 . 1 1 66 66 ASP CA C 66 53.462 53.462 56.846 -3.385 18734 289 1 1 . 1 1 66 66 ASP CB C 66 37.557 37.557 42.157 -4.600 18734 290 1 1 . 1 1 66 66 ASP H H 66 7.293 7.293 7.897 -0.604 18734 291 1 1 . 1 1 67 67 GLY N N 67 110.131 110.131 111.086 -0.955 18734 292 1 1 . 1 1 67 67 GLY CA C 67 43.985 43.985 45.707 -1.722 18734 293 1 1 . 1 1 67 67 GLY H H 67 8.695 8.695 8.661 0.034 18734 294 1 1 . 1 1 68 68 ALA N N 68 123.462 123.462 121.133 2.329 18734 295 1 1 . 1 1 68 68 ALA HA H 68 4.385 4.385 4.999 -0.614 18734 296 1 1 . 1 1 68 68 ALA CA C 68 49.065 49.065 51.187 -2.122 18734 297 1 1 . 1 1 68 68 ALA CB C 68 19.402 19.402 22.452 -3.050 18734 298 1 1 . 1 1 68 68 ALA H H 68 8.058 8.058 7.476 0.582 18734 299 1 1 . 1 1 69 69 ASP N N 69 116.343 116.343 117.846 -1.503 18734 300 1 1 . 1 1 69 69 ASP HA H 69 4.524 4.524 4.622 -0.098 18734 301 1 1 . 1 1 69 69 ASP CA C 69 51.240 51.240 54.417 -3.177 18734 302 1 1 . 1 1 69 69 ASP CB C 69 39.076 39.076 42.596 -3.520 18734 303 1 1 . 1 1 69 69 ASP H H 69 8.721 8.721 8.558 0.163 18734 304 1 1 . 1 1 70 70 PHE N N 70 113.658 113.658 119.700 -6.042 18734 305 1 1 . 1 1 70 70 PHE HA H 70 4.648 4.648 4.989 -0.341 18734 306 1 1 . 1 1 70 70 PHE CA C 70 52.114 52.114 55.972 -3.858 18734 307 1 1 . 1 1 70 70 PHE CB C 70 38.375 38.375 41.080 -2.705 18734 308 1 1 . 1 1 70 70 PHE H H 70 5.865 5.865 7.191 -1.326 18734 309 1 1 . 1 1 71 71 LEU N N 71 119.766 119.766 120.949 -1.183 18734 310 1 1 . 1 1 71 71 LEU HA H 71 4.915 4.915 4.817 0.098 18734 311 1 1 . 1 1 71 71 LEU CA C 71 50.797 50.797 54.435 -3.638 18734 312 1 1 . 1 1 71 71 LEU CB C 71 41.482 41.482 43.816 -2.334 18734 313 1 1 . 1 1 71 71 LEU H H 71 7.964 7.964 8.546 -0.582 18734 314 1 1 . 1 1 72 72 ILE N N 72 123.675 123.675 120.188 3.487 18734 315 1 1 . 1 1 72 72 ILE HA H 72 4.728 4.728 4.442 0.286 18734 316 1 1 . 1 1 72 72 ILE CB C 72 36.921 36.921 38.582 -1.661 18734 317 1 1 . 1 1 72 72 ILE H H 72 9.073 9.073 8.947 0.126 18734 318 1 1 . 1 1 73 73 CYS N N 73 125.409 125.409 128.236 -2.827 18734 319 1 1 . 1 1 73 73 CYS HA H 73 5.534 5.534 4.967 0.567 18734 320 1 1 . 1 1 73 73 CYS CA C 73 54.056 54.056 59.857 -5.801 18734 321 1 1 . 1 1 73 73 CYS CB C 73 27.753 27.753 27.392 0.360 18734 322 1 1 . 1 1 73 73 CYS H H 73 9.060 9.060 8.935 0.125 18734 323 1 1 . 1 1 74 74 VAL N N 74 114.408 114.408 119.371 -4.963 18734 324 1 1 . 1 1 74 74 VAL HA H 74 4.951 4.951 4.702 0.249 18734 325 1 1 . 1 1 74 74 VAL CA C 74 54.229 54.229 57.563 -3.334 18734 326 1 1 . 1 1 74 74 VAL CB C 74 29.675 29.675 34.022 -4.347 18734 327 1 1 . 1 1 74 74 VAL H H 74 7.938 7.938 8.871 -0.933 18734 328 1 1 . 1 1 75 75 PRO HA H 75 4.283 4.283 4.544 -0.261 18734 329 1 1 . 1 1 75 75 PRO CA C 75 60.889 60.889 62.358 -1.469 18734 330 1 1 . 1 1 75 75 PRO CB C 75 29.499 29.499 32.121 -2.622 18734 331 1 1 . 1 1 76 76 GLU N N 76 126.159 126.159 123.180 2.979 18734 332 1 1 . 1 1 76 76 GLU HA H 76 3.664 3.664 3.896 -0.232 18734 333 1 1 . 1 1 76 76 GLU CA C 76 58.112 58.112 59.542 -1.430 18734 334 1 1 . 1 1 76 76 GLU CB C 76 26.894 26.894 29.116 -2.222 18734 335 1 1 . 1 1 76 76 GLU H H 76 9.130 9.130 8.844 0.286 18734 336 1 1 . 1 1 77 77 GLU N N 77 117.145 117.145 119.015 -1.870 18734 337 1 1 . 1 1 77 77 GLU HA H 77 4.100 4.100 4.196 -0.096 18734 338 1 1 . 1 1 77 77 GLU CA C 77 55.734 55.734 57.252 -1.518 18734 339 1 1 . 1 1 77 77 GLU CB C 77 26.315 26.315 29.263 -2.948 18734 340 1 1 . 1 1 77 77 GLU H H 77 9.350 9.350 8.745 0.605 18734 341 1 1 . 1 1 78 78 ALA N N 78 120.398 120.398 120.681 -0.283 18734 342 1 1 . 1 1 78 78 ALA HA H 78 4.699 4.699 4.545 0.154 18734 343 1 1 . 1 1 78 78 ALA CB C 78 18.962 18.962 19.334 -0.372 18734 344 1 1 . 1 1 78 78 ALA H H 78 8.044 8.044 7.950 0.094 18734 345 1 1 . 1 1 79 79 LEU N N 79 122.497 122.497 121.621 0.876 18734 346 1 1 . 1 1 79 79 LEU HA H 79 3.710 3.710 3.894 -0.184 18734 347 1 1 . 1 1 79 79 LEU CA C 79 56.837 56.837 58.241 -1.404 18734 348 1 1 . 1 1 79 79 LEU CB C 79 40.952 40.952 41.642 -0.690 18734 349 1 1 . 1 1 79 79 LEU H H 79 7.331 7.331 7.799 -0.468 18734 350 1 1 . 1 1 80 80 ASP N N 80 116.432 116.432 118.314 -1.882 18734 351 1 1 . 1 1 80 80 ASP HA H 80 4.357 4.357 4.344 0.013 18734 352 1 1 . 1 1 80 80 ASP CA C 80 54.751 54.751 57.401 -2.650 18734 353 1 1 . 1 1 80 80 ASP CB C 80 38.534 38.534 40.505 -1.971 18734 354 1 1 . 1 1 80 80 ASP H H 80 8.305 8.305 8.498 -0.193 18734 355 1 1 . 1 1 81 81 ARG N N 81 119.433 119.433 119.528 -0.095 18734 356 1 1 . 1 1 81 81 ARG HA H 81 3.894 3.894 4.027 -0.133 18734 357 1 1 . 1 1 81 81 ARG CA C 81 56.473 56.473 59.505 -3.033 18734 358 1 1 . 1 1 81 81 ARG CB C 81 27.481 27.481 30.215 -2.734 18734 359 1 1 . 1 1 81 81 ARG H H 81 7.638 7.638 8.174 -0.536 18734 360 1 1 . 1 1 82 82 TYR N N 82 116.397 116.397 116.594 -0.197 18734 361 1 1 . 1 1 82 82 TYR HA H 82 3.830 3.830 4.311 -0.481 18734 362 1 1 . 1 1 82 82 TYR CA C 82 61.170 61.170 61.295 -0.125 18734 363 1 1 . 1 1 82 82 TYR CB C 82 37.031 37.031 38.174 -1.143 18734 364 1 1 . 1 1 82 82 TYR H H 82 8.198 8.198 8.343 -0.145 18734 365 1 1 . 1 1 83 83 ARG N N 83 113.114 113.114 117.857 -4.743 18734 366 1 1 . 1 1 83 83 ARG HA H 83 3.728 3.728 4.212 -0.484 18734 367 1 1 . 1 1 83 83 ARG CA C 83 58.115 58.115 58.953 -0.838 18734 368 1 1 . 1 1 83 83 ARG CB C 83 28.107 28.107 30.230 -2.123 18734 369 1 1 . 1 1 83 83 ARG H H 83 8.151 8.151 7.926 0.225 18734 370 1 1 . 1 1 84 84 ARG N N 84 111.791 111.791 116.564 -4.773 18734 371 1 1 . 1 1 84 84 ARG HA H 84 4.386 4.386 4.445 -0.059 18734 372 1 1 . 1 1 84 84 ARG CA C 84 52.335 52.335 56.238 -3.903 18734 373 1 1 . 1 1 84 84 ARG CB C 84 27.987 27.987 30.241 -2.254 18734 374 1 1 . 1 1 84 84 ARG H H 84 7.571 7.571 7.762 -0.191 18734 375 1 1 . 1 1 85 85 ASP N N 85 123.157 123.157 120.252 2.905 18734 376 1 1 . 1 1 85 85 ASP HA H 85 4.373 4.373 4.636 -0.263 18734 377 1 1 . 1 1 85 85 ASP CA C 85 52.852 52.852 54.063 -1.211 18734 378 1 1 . 1 1 85 85 ASP CB C 85 42.482 42.482 42.011 0.471 18734 379 1 1 . 1 1 85 85 ASP H H 85 7.200 7.200 7.483 -0.283 18734 380 1 1 . 1 1 86 86 TYR N N 86 123.389 123.389 124.221 -0.832 18734 381 1 1 . 1 1 86 86 TYR HA H 86 4.092 4.092 4.619 -0.527 18734 382 1 1 . 1 1 86 86 TYR CA C 86 58.674 58.674 57.544 1.130 18734 383 1 1 . 1 1 86 86 TYR CB C 86 35.801 35.801 37.605 -1.804 18734 384 1 1 . 1 1 86 86 TYR H H 86 8.440 8.440 9.045 -0.605 18734 385 1 1 . 1 1 87 87 PHE N N 87 117.092 117.092 119.735 -2.643 18734 386 1 1 . 1 1 87 87 PHE HA H 87 4.378 4.378 4.721 -0.343 18734 387 1 1 . 1 1 87 87 PHE CA C 87 57.433 57.433 58.859 -1.426 18734 388 1 1 . 1 1 87 87 PHE CB C 87 37.442 37.442 39.955 -2.513 18734 389 1 1 . 1 1 87 87 PHE H H 87 7.931 7.931 8.186 -0.255 18734 390 1 1 . 1 1 88 88 TRP N N 88 121.396 121.396 120.804 0.592 18734 391 1 1 . 1 1 88 88 TRP HA H 88 3.798 3.798 4.464 -0.666 18734 392 1 1 . 1 1 88 88 TRP CA C 88 59.544 59.544 61.237 -1.693 18734 393 1 1 . 1 1 88 88 TRP CB C 88 26.293 26.293 29.457 -3.164 18734 394 1 1 . 1 1 88 88 TRP H H 88 9.757 9.757 9.585 0.172 18734 395 1 1 . 1 1 89 89 GLN N N 89 117.760 117.760 120.214 -2.454 18734 396 1 1 . 1 1 89 89 GLN HA H 89 4.393 4.393 3.970 0.423 18734 397 1 1 . 1 1 89 89 GLN CA C 89 55.882 55.882 59.398 -3.516 18734 398 1 1 . 1 1 89 89 GLN CB C 89 30.198 30.198 28.121 2.077 18734 399 1 1 . 1 1 89 89 GLN H H 89 8.490 8.490 8.271 0.219 18734 400 1 1 . 1 1 90 90 THR N N 90 118.285 118.285 113.628 4.657 18734 401 1 1 . 1 1 90 90 THR HA H 90 3.686 3.686 4.029 -0.343 18734 402 1 1 . 1 1 90 90 THR CA C 90 62.770 62.770 64.730 -1.960 18734 403 1 1 . 1 1 90 90 THR CB C 90 66.664 66.664 68.654 -1.990 18734 404 1 1 . 1 1 90 90 THR H H 90 7.932 7.932 8.188 -0.256 18734 405 1 1 . 1 1 91 91 TYR N N 91 118.448 118.448 118.276 0.172 18734 406 1 1 . 1 1 91 91 TYR HA H 91 4.975 4.975 5.057 -0.082 18734 407 1 1 . 1 1 91 91 TYR CA C 91 55.511 55.511 57.649 -2.138 18734 408 1 1 . 1 1 91 91 TYR CB C 91 37.126 37.126 38.953 -1.827 18734 409 1 1 . 1 1 91 91 TYR H H 91 8.009 8.009 7.722 0.287 18734 410 1 1 . 1 1 92 92 ALA N N 92 122.351 122.351 122.874 -0.523 18734 411 1 1 . 1 1 92 92 ALA HA H 92 3.843 3.843 4.232 -0.389 18734 412 1 1 . 1 1 92 92 ALA CA C 92 54.108 54.108 53.375 0.733 18734 413 1 1 . 1 1 92 92 ALA CB C 92 16.505 16.505 18.703 -2.198 18734 414 1 1 . 1 1 92 92 ALA H H 92 7.665 7.665 7.843 -0.178 18734 415 1 1 . 1 1 93 93 ALA N N 93 117.548 117.548 119.573 -2.025 18734 416 1 1 . 1 1 93 93 ALA HA H 93 3.702 3.702 3.995 -0.293 18734 417 1 1 . 1 1 93 93 ALA CA C 93 51.371 51.371 52.977 -1.606 18734 418 1 1 . 1 1 93 93 ALA CB C 93 14.292 14.292 18.452 -4.160 18734 419 1 1 . 1 1 93 93 ALA H H 93 8.275 8.275 8.209 0.066 18734 420 1 1 . 1 1 94 94 TRP N N 94 115.303 115.303 115.558 -0.255 18734 421 1 1 . 1 1 94 94 TRP HA H 94 4.669 4.669 4.880 -0.211 18734 422 1 1 . 1 1 94 94 TRP CB C 94 26.912 26.912 31.165 -4.253 18734 423 1 1 . 1 1 94 94 TRP H H 94 8.203 8.203 8.051 0.152 18734 424 1 1 . 1 1 95 95 ILE N N 95 120.680 120.680 121.169 -0.489 18734 425 1 1 . 1 1 95 95 ILE HA H 95 5.325 5.325 4.263 1.062 18734 426 1 1 . 1 1 95 95 ILE CA C 95 57.930 57.930 63.047 -5.117 18734 427 1 1 . 1 1 95 95 ILE CB C 95 36.508 36.508 38.261 -1.753 18734 428 1 1 . 1 1 95 95 ILE H H 95 7.153 7.153 7.706 -0.553 18734 429 1 1 . 1 1 96 96 GLN N N 96 128.223 128.223 124.102 4.121 18734 430 1 1 . 1 1 96 96 GLN HA H 96 4.691 4.691 4.816 -0.125 18734 431 1 1 . 1 1 96 96 GLN CB C 96 28.885 28.885 29.727 -0.842 18734 432 1 1 . 1 1 96 96 GLN H H 96 9.189 9.189 8.865 0.324 18734 433 1 1 . 1 1 97 97 PRO HA H 97 4.833 4.833 4.841 -0.008 18734 434 1 1 . 1 1 97 97 PRO CA C 97 59.122 59.122 62.758 -3.636 18734 435 1 1 . 1 1 97 97 PRO CB C 97 29.515 29.515 32.569 -3.054 18734 436 1 1 . 1 1 98 98 MET N N 98 120.815 120.815 120.759 0.056 18734 437 1 1 . 1 1 98 98 MET HA H 98 4.116 4.116 4.322 -0.206 18734 438 1 1 . 1 1 98 98 MET CA C 98 52.944 52.944 56.208 -3.264 18734 439 1 1 . 1 1 98 98 MET CB C 98 30.981 30.981 33.148 -2.167 18734 440 1 1 . 1 1 98 98 MET H H 98 8.551 8.551 8.118 0.433 18734 441 1 1 . 1 1 99 99 GLU N N 99 124.677 124.677 118.886 5.791 18734 442 1 1 . 1 1 99 99 GLU HA H 99 4.220 4.220 4.553 -0.333 18734 443 1 1 . 1 1 99 99 GLU CA C 99 53.952 53.952 55.604 -1.652 18734 444 1 1 . 1 1 99 99 GLU CB C 99 27.803 27.803 31.702 -3.899 18734 445 1 1 . 1 1 99 99 GLU H H 99 8.532 8.532 8.289 0.243 18734 446 1 2 . 1 1 2 2 SER HA H 2 4.373 4.373 4.587 -0.214 18734 447 1 2 . 1 1 2 2 SER CA C 2 55.756 55.756 58.724 -2.969 18734 448 1 2 . 1 1 2 2 SER CB C 2 61.143 61.143 63.604 -2.461 18734 449 1 2 . 1 1 3 3 HIS HA H 3 4.613 4.613 4.823 -0.210 18734 450 1 2 . 1 1 3 3 HIS CA C 3 52.991 52.991 56.263 -3.272 18734 451 1 2 . 1 1 3 3 HIS CB C 3 26.607 26.607 30.761 -4.154 18734 452 1 2 . 1 1 4 4 GLU N N 4 122.124 122.124 119.883 2.241 18734 453 1 2 . 1 1 4 4 GLU HA H 4 4.171 4.171 4.806 -0.635 18734 454 1 2 . 1 1 4 4 GLU CA C 4 54.441 54.441 55.246 -0.805 18734 455 1 2 . 1 1 4 4 GLU CB C 4 27.585 27.585 33.127 -5.542 18734 456 1 2 . 1 1 4 4 GLU H H 4 8.415 8.415 8.529 -0.114 18734 457 1 2 . 1 1 5 5 GLY N N 5 110.434 110.434 109.543 0.891 18734 458 1 2 . 1 1 5 5 GLY CA C 5 42.610 42.610 44.671 -2.061 18734 459 1 2 . 1 1 5 5 GLY H H 5 8.488 8.488 8.335 0.153 18734 460 1 2 . 1 1 6 6 GLU N N 6 121.376 121.376 120.547 0.829 18734 461 1 2 . 1 1 6 6 GLU HA H 6 4.560 4.560 4.458 0.102 18734 462 1 2 . 1 1 6 6 GLU CA C 6 51.629 51.629 54.740 -3.111 18734 463 1 2 . 1 1 6 6 GLU CB C 6 26.998 26.998 30.104 -3.106 18734 464 1 2 . 1 1 6 6 GLU H H 6 7.954 7.954 8.104 -0.150 18734 465 1 2 . 1 1 7 7 PRO HA H 7 4.464 4.464 4.520 -0.056 18734 466 1 2 . 1 1 7 7 PRO CA C 7 60.517 60.517 62.361 -1.844 18734 467 1 2 . 1 1 7 7 PRO CB C 7 29.486 29.486 30.830 -1.344 18734 468 1 2 . 1 1 8 8 VAL N N 8 120.493 120.493 119.846 0.647 18734 469 1 2 . 1 1 8 8 VAL HA H 8 4.387 4.387 4.317 0.070 18734 470 1 2 . 1 1 8 8 VAL CA C 8 58.483 58.483 59.125 -0.642 18734 471 1 2 . 1 1 8 8 VAL CB C 8 31.177 31.177 35.753 -4.576 18734 472 1 2 . 1 1 8 8 VAL H H 8 8.177 8.177 7.796 0.381 18734 473 1 2 . 1 1 9 9 VAL N N 9 124.516 124.516 124.589 -0.073 18734 474 1 2 . 1 1 9 9 VAL HA H 9 4.024 4.024 4.370 -0.346 18734 475 1 2 . 1 1 9 9 VAL CA C 9 60.336 60.336 62.573 -2.237 18734 476 1 2 . 1 1 9 9 VAL CB C 9 29.995 29.995 31.459 -1.464 18734 477 1 2 . 1 1 9 9 VAL H H 9 8.246 8.246 8.709 -0.463 18734 478 1 2 . 1 1 10 10 GLY N N 10 114.968 114.968 115.009 -0.041 18734 479 1 2 . 1 1 10 10 GLY CA C 10 42.318 42.318 45.245 -2.927 18734 480 1 2 . 1 1 10 10 GLY H H 10 8.595 8.595 7.940 0.655 18734 481 1 2 . 1 1 11 11 MET N N 11 120.532 120.532 121.021 -0.489 18734 482 1 2 . 1 1 11 11 MET CA C 11 53.802 53.802 57.365 -3.563 18734 483 1 2 . 1 1 11 11 MET CB C 11 30.698 30.698 31.753 -1.055 18734 484 1 2 . 1 1 11 11 MET H H 11 8.320 8.320 8.818 -0.498 18734 485 1 2 . 1 1 12 12 ASP N N 12 120.515 120.515 118.962 1.553 18734 486 1 2 . 1 1 12 12 ASP HA H 12 4.637 4.637 4.987 -0.350 18734 487 1 2 . 1 1 12 12 ASP CB C 12 38.090 38.090 44.159 -6.069 18734 488 1 2 . 1 1 12 12 ASP H H 12 8.261 8.261 7.875 0.386 18734 489 1 2 . 1 1 13 13 LYS N N 13 123.685 123.685 121.475 2.210 18734 490 1 2 . 1 1 13 13 LYS HA H 13 4.623 4.623 4.868 -0.245 18734 491 1 2 . 1 1 13 13 LYS CA C 13 50.898 50.898 55.910 -5.012 18734 492 1 2 . 1 1 13 13 LYS CB C 13 30.003 30.003 33.172 -3.169 18734 493 1 2 . 1 1 13 13 LYS H H 13 8.579 8.579 8.597 -0.018 18734 494 1 2 . 1 1 14 14 SER N N 14 115.048 115.048 113.830 1.218 18734 495 1 2 . 1 1 14 14 SER HA H 14 4.447 4.447 4.805 -0.358 18734 496 1 2 . 1 1 14 14 SER CA C 14 56.917 56.917 58.801 -1.884 18734 497 1 2 . 1 1 14 14 SER CB C 14 61.536 61.536 65.066 -3.530 18734 498 1 2 . 1 1 14 14 SER H H 14 8.507 8.507 8.560 -0.053 18734 499 1 2 . 1 1 15 15 LEU N N 15 119.294 119.294 123.966 -4.672 18734 500 1 2 . 1 1 15 15 LEU HA H 15 3.989 3.989 4.716 -0.727 18734 501 1 2 . 1 1 15 15 LEU CA C 15 53.219 53.219 54.712 -1.493 18734 502 1 2 . 1 1 15 15 LEU CB C 15 39.813 39.813 40.310 -0.497 18734 503 1 2 . 1 1 15 15 LEU H H 15 6.908 6.908 8.051 -1.143 18734 504 1 2 . 1 1 16 16 PHE N N 16 117.103 117.103 122.346 -5.243 18734 505 1 2 . 1 1 16 16 PHE HA H 16 4.397 4.397 4.779 -0.382 18734 506 1 2 . 1 1 16 16 PHE CA C 16 56.719 56.719 59.420 -2.701 18734 507 1 2 . 1 1 16 16 PHE CB C 16 37.917 37.917 40.218 -2.301 18734 508 1 2 . 1 1 16 16 PHE H H 16 7.658 7.658 8.007 -0.349 18734 509 1 2 . 1 1 17 17 ALA N N 17 120.694 120.694 122.833 -2.139 18734 510 1 2 . 1 1 17 17 ALA HA H 17 3.964 3.964 4.685 -0.721 18734 511 1 2 . 1 1 17 17 ALA CA C 17 51.840 51.840 51.956 -0.116 18734 512 1 2 . 1 1 17 17 ALA CB C 17 15.004 15.004 17.131 -2.127 18734 513 1 2 . 1 1 17 17 ALA H H 17 7.514 7.514 8.763 -1.249 18734 514 1 2 . 1 1 18 18 GLY N N 18 110.007 110.007 107.024 2.983 18734 515 1 2 . 1 1 18 18 GLY CA C 18 43.150 43.150 45.078 -1.927 18734 516 1 2 . 1 1 18 18 GLY H H 18 8.204 8.204 8.089 0.115 18734 517 1 2 . 1 1 19 19 ASN N N 19 119.323 119.323 121.389 -2.066 18734 518 1 2 . 1 1 19 19 ASN HA H 19 4.733 4.733 4.923 -0.190 18734 519 1 2 . 1 1 19 19 ASN CB C 19 36.020 36.020 38.642 -2.622 18734 520 1 2 . 1 1 19 19 ASN H H 19 8.124 8.124 7.682 0.442 18734 521 1 2 . 1 1 20 20 THR N N 20 116.844 116.844 117.176 -0.332 18734 522 1 2 . 1 1 20 20 THR HA H 20 4.243 4.243 4.233 0.010 18734 523 1 2 . 1 1 20 20 THR CA C 20 60.224 60.224 63.519 -3.295 18734 524 1 2 . 1 1 20 20 THR CB C 20 66.167 66.167 68.843 -2.676 18734 525 1 2 . 1 1 20 20 THR H H 20 8.400 8.400 8.509 -0.109 18734 526 1 2 . 1 1 21 21 VAL N N 21 117.661 117.661 118.339 -0.678 18734 527 1 2 . 1 1 21 21 VAL HA H 21 4.161 4.161 4.271 -0.110 18734 528 1 2 . 1 1 21 21 VAL CA C 21 59.739 59.739 61.205 -1.466 18734 529 1 2 . 1 1 21 21 VAL CB C 21 31.224 31.224 32.722 -1.498 18734 530 1 2 . 1 1 21 21 VAL H H 21 8.412 8.412 7.298 1.114 18734 531 1 2 . 1 1 22 22 ILE N N 22 120.465 120.465 122.749 -2.284 18734 532 1 2 . 1 1 22 22 ILE HA H 22 3.873 3.873 3.971 -0.098 18734 533 1 2 . 1 1 22 22 ILE CA C 22 59.860 59.860 62.191 -2.331 18734 534 1 2 . 1 1 22 22 ILE CB C 22 37.052 37.052 38.170 -1.118 18734 535 1 2 . 1 1 22 22 ILE H H 22 7.300 7.300 7.376 -0.076 18734 536 1 2 . 1 1 23 23 ARG N N 23 122.168 122.168 125.332 -3.164 18734 537 1 2 . 1 1 23 23 ARG HA H 23 4.940 4.940 4.585 0.355 18734 538 1 2 . 1 1 23 23 ARG CA C 23 54.175 54.175 57.252 -3.077 18734 539 1 2 . 1 1 23 23 ARG CB C 23 30.921 30.921 31.274 -0.353 18734 540 1 2 . 1 1 23 23 ARG H H 23 8.328 8.328 8.266 0.062 18734 541 1 2 . 1 1 24 24 GLU N N 24 117.968 117.968 115.775 2.193 18734 542 1 2 . 1 1 24 24 GLU HA H 24 5.100 5.100 4.482 0.618 18734 543 1 2 . 1 1 24 24 GLU CA C 24 51.948 51.948 55.963 -4.015 18734 544 1 2 . 1 1 24 24 GLU CB C 24 30.737 30.737 33.218 -2.481 18734 545 1 2 . 1 1 24 24 GLU H H 24 7.474 7.474 7.762 -0.288 18734 546 1 2 . 1 1 25 25 ILE N N 25 121.135 121.135 123.663 -2.528 18734 547 1 2 . 1 1 25 25 ILE HA H 25 4.205 4.205 4.417 -0.212 18734 548 1 2 . 1 1 25 25 ILE CA C 25 57.149 57.149 60.199 -3.050 18734 549 1 2 . 1 1 25 25 ILE CB C 25 39.882 39.882 39.961 -0.079 18734 550 1 2 . 1 1 25 25 ILE H H 25 7.591 7.591 7.984 -0.393 18734 551 1 2 . 1 1 26 26 THR N N 26 122.935 122.935 123.917 -0.982 18734 552 1 2 . 1 1 26 26 THR HA H 26 4.999 4.999 4.644 0.355 18734 553 1 2 . 1 1 26 26 THR CA C 26 59.185 59.185 62.478 -3.293 18734 554 1 2 . 1 1 26 26 THR CB C 26 67.259 67.259 69.263 -2.004 18734 555 1 2 . 1 1 26 26 THR H H 26 8.243 8.243 8.519 -0.276 18734 556 1 2 . 1 1 27 27 VAL N N 27 124.220 124.220 124.796 -0.576 18734 557 1 2 . 1 1 27 27 VAL HA H 27 4.421 4.421 4.513 -0.092 18734 558 1 2 . 1 1 27 27 VAL CA C 27 58.144 58.144 60.409 -2.265 18734 559 1 2 . 1 1 27 27 VAL CB C 27 30.727 30.727 34.373 -3.647 18734 560 1 2 . 1 1 27 27 VAL H H 27 9.216 9.216 9.130 0.086 18734 561 1 2 . 1 1 28 28 GLN N N 28 129.280 129.280 125.351 3.929 18734 562 1 2 . 1 1 28 28 GLN HA H 28 4.702 4.702 5.194 -0.492 18734 563 1 2 . 1 1 28 28 GLN CB C 28 25.480 25.480 28.865 -3.385 18734 564 1 2 . 1 1 28 28 GLN H H 28 8.782 8.782 8.664 0.118 18734 565 1 2 . 1 1 29 29 PRO HA H 29 3.457 3.457 3.471 -0.014 18734 566 1 2 . 1 1 29 29 PRO CA C 29 60.712 60.712 62.897 -2.184 18734 567 1 2 . 1 1 29 29 PRO CB C 29 30.122 30.122 32.351 -2.229 18734 568 1 2 . 1 1 30 30 ASN N N 30 113.396 113.396 116.275 -2.879 18734 569 1 2 . 1 1 30 30 ASN HA H 30 4.329 4.329 4.271 0.058 18734 570 1 2 . 1 1 30 30 ASN CA C 30 51.999 51.999 54.587 -2.588 18734 571 1 2 . 1 1 30 30 ASN CB C 30 34.627 34.627 37.228 -2.601 18734 572 1 2 . 1 1 30 30 ASN H H 30 8.199 8.199 8.535 -0.336 18734 573 1 2 . 1 1 31 31 ILE N N 31 115.907 115.907 119.126 -3.219 18734 574 1 2 . 1 1 31 31 ILE HA H 31 4.395 4.395 4.183 0.212 18734 575 1 2 . 1 1 31 31 ILE CA C 31 57.434 57.434 59.658 -2.224 18734 576 1 2 . 1 1 31 31 ILE CB C 31 36.859 36.859 38.823 -1.964 18734 577 1 2 . 1 1 31 31 ILE H H 31 8.201 8.201 8.020 0.181 18734 578 1 2 . 1 1 32 32 GLY N N 32 111.217 111.217 106.674 4.543 18734 579 1 2 . 1 1 32 32 GLY CA C 32 41.729 41.729 44.133 -2.405 18734 580 1 2 . 1 1 32 32 GLY H H 32 7.998 7.998 7.591 0.407 18734 581 1 2 . 1 1 33 33 LEU N N 33 120.007 120.007 120.805 -0.798 18734 582 1 2 . 1 1 33 33 LEU HA H 33 3.880 3.880 4.437 -0.557 18734 583 1 2 . 1 1 33 33 LEU CA C 33 53.595 53.595 54.393 -0.798 18734 584 1 2 . 1 1 33 33 LEU CB C 33 40.528 40.528 43.174 -2.646 18734 585 1 2 . 1 1 33 33 LEU H H 33 7.820 7.820 8.375 -0.555 18734 586 1 2 . 1 1 34 34 LEU N N 34 128.106 128.106 128.505 -0.399 18734 587 1 2 . 1 1 34 34 LEU HA H 34 4.485 4.485 4.194 0.291 18734 588 1 2 . 1 1 34 34 LEU CA C 34 51.078 51.078 53.729 -2.651 18734 589 1 2 . 1 1 34 34 LEU CB C 34 37.447 37.447 40.321 -2.874 18734 590 1 2 . 1 1 34 34 LEU H H 34 8.551 8.551 8.508 0.043 18734 591 1 2 . 1 1 35 35 TYR N N 35 121.473 121.473 120.267 1.206 18734 592 1 2 . 1 1 35 35 TYR HA H 35 4.240 4.240 4.389 -0.149 18734 593 1 2 . 1 1 35 35 TYR CA C 35 53.814 53.814 55.633 -1.819 18734 594 1 2 . 1 1 35 35 TYR CB C 35 36.868 36.868 38.743 -1.875 18734 595 1 2 . 1 1 35 35 TYR H H 35 6.363 6.363 7.598 -1.235 18734 596 1 2 . 1 1 36 36 ASP N N 36 119.590 119.590 120.658 -1.068 18734 597 1 2 . 1 1 36 36 ASP HA H 36 3.980 3.980 4.297 -0.317 18734 598 1 2 . 1 1 36 36 ASP CA C 36 52.760 52.760 54.610 -1.850 18734 599 1 2 . 1 1 36 36 ASP CB C 36 37.119 37.119 39.241 -2.122 18734 600 1 2 . 1 1 36 36 ASP H H 36 8.573 8.573 8.651 -0.078 18734 601 1 2 . 1 1 37 37 GLY N N 37 108.636 108.636 113.273 -4.637 18734 602 1 2 . 1 1 37 37 GLY CA C 37 44.335 44.335 44.822 -0.487 18734 603 1 2 . 1 1 37 37 GLY H H 37 7.903 7.903 8.891 -0.988 18734 604 1 2 . 1 1 38 38 MET N N 38 120.339 120.339 119.783 0.556 18734 605 1 2 . 1 1 38 38 MET HA H 38 3.631 3.631 3.083 0.548 18734 606 1 2 . 1 1 38 38 MET CA C 38 56.101 56.101 58.453 -2.352 18734 607 1 2 . 1 1 38 38 MET CB C 38 29.166 29.166 31.500 -2.334 18734 608 1 2 . 1 1 38 38 MET H H 38 7.873 7.873 7.032 0.841 18734 609 1 2 . 1 1 39 39 PHE N N 39 115.430 115.430 112.081 3.349 18734 610 1 2 . 1 1 39 39 PHE HA H 39 4.908 4.908 4.835 0.073 18734 611 1 2 . 1 1 39 39 PHE CA C 39 52.898 52.898 55.868 -2.970 18734 612 1 2 . 1 1 39 39 PHE CB C 39 36.647 36.647 38.615 -1.968 18734 613 1 2 . 1 1 39 39 PHE H H 39 8.504 8.504 7.403 1.101 18734 614 1 2 . 1 1 40 40 SER N N 40 113.647 113.647 118.365 -4.718 18734 615 1 2 . 1 1 40 40 SER HA H 40 4.238 4.238 4.299 -0.061 18734 616 1 2 . 1 1 40 40 SER CA C 40 56.954 56.954 60.667 -3.713 18734 617 1 2 . 1 1 40 40 SER CB C 40 60.458 60.458 62.186 -1.728 18734 618 1 2 . 1 1 40 40 SER H H 40 7.264 7.264 7.802 -0.538 18734 619 1 2 . 1 1 41 41 GLY N N 41 115.225 115.225 113.444 1.781 18734 620 1 2 . 1 1 41 41 GLY CA C 41 42.941 42.941 44.942 -2.001 18734 621 1 2 . 1 1 41 41 GLY H H 41 9.110 9.110 8.051 1.059 18734 622 1 2 . 1 1 42 42 CYS N N 42 120.385 120.385 124.016 -3.631 18734 623 1 2 . 1 1 42 42 CYS HA H 42 4.761 4.761 4.762 -0.001 18734 624 1 2 . 1 1 42 42 CYS CB C 42 23.867 23.867 25.147 -1.280 18734 625 1 2 . 1 1 42 42 CYS H H 42 7.929 7.929 8.626 -0.697 18734 626 1 2 . 1 1 43 43 THR N N 43 113.920 113.920 115.600 -1.680 18734 627 1 2 . 1 1 43 43 THR HA H 43 3.863 3.863 4.161 -0.298 18734 628 1 2 . 1 1 43 43 THR CA C 43 61.663 61.663 64.642 -2.979 18734 629 1 2 . 1 1 43 43 THR CB C 43 66.027 66.027 68.744 -2.717 18734 630 1 2 . 1 1 43 43 THR H H 43 7.495 7.495 8.040 -0.545 18734 631 1 2 . 1 1 44 44 ALA N N 44 123.479 123.479 122.249 1.230 18734 632 1 2 . 1 1 44 44 ALA HA H 44 4.477 4.477 4.491 -0.014 18734 633 1 2 . 1 1 44 44 ALA CA C 44 48.198 48.198 51.898 -3.700 18734 634 1 2 . 1 1 44 44 ALA CB C 44 17.096 17.096 19.108 -2.012 18734 635 1 2 . 1 1 44 44 ALA H H 44 8.551 8.551 7.747 0.804 18734 636 1 2 . 1 1 45 45 LEU N N 45 121.070 121.070 121.098 -0.028 18734 637 1 2 . 1 1 45 45 LEU HA H 45 3.981 3.981 4.455 -0.474 18734 638 1 2 . 1 1 45 45 LEU CA C 45 53.838 53.838 55.436 -1.598 18734 639 1 2 . 1 1 45 45 LEU CB C 45 40.243 40.243 42.600 -2.357 18734 640 1 2 . 1 1 45 45 LEU H H 45 6.819 6.819 7.571 -0.752 18734 641 1 2 . 1 1 46 46 GLU N N 46 128.627 128.627 124.141 4.486 18734 642 1 2 . 1 1 46 46 GLU HA H 46 4.511 4.511 5.010 -0.499 18734 643 1 2 . 1 1 46 46 GLU CA C 46 54.357 54.357 55.867 -1.510 18734 644 1 2 . 1 1 46 46 GLU CB C 46 29.883 29.883 31.951 -2.068 18734 645 1 2 . 1 1 46 46 GLU H H 46 9.401 9.401 8.227 1.174 18734 646 1 2 . 1 1 47 47 LYS N N 47 116.297 116.297 119.802 -3.505 18734 647 1 2 . 1 1 47 47 LYS HA H 47 5.128 5.128 4.787 0.341 18734 648 1 2 . 1 1 47 47 LYS CA C 47 52.808 52.808 54.808 -2.000 18734 649 1 2 . 1 1 47 47 LYS CB C 47 35.325 35.325 36.337 -1.012 18734 650 1 2 . 1 1 47 47 LYS H H 47 7.171 7.171 7.463 -0.292 18734 651 1 2 . 1 1 48 48 LEU N N 48 125.474 125.474 123.986 1.488 18734 652 1 2 . 1 1 48 48 LEU HA H 48 4.403 4.403 4.610 -0.207 18734 653 1 2 . 1 1 48 48 LEU CA C 48 50.489 50.489 54.641 -4.152 18734 654 1 2 . 1 1 48 48 LEU CB C 48 41.991 41.991 44.831 -2.840 18734 655 1 2 . 1 1 48 48 LEU H H 48 8.715 8.715 8.214 0.501 18734 656 1 2 . 1 1 49 49 ILE N N 49 127.246 127.246 126.327 0.919 18734 657 1 2 . 1 1 49 49 ILE HA H 49 4.145 4.145 4.582 -0.437 18734 658 1 2 . 1 1 49 49 ILE CA C 49 58.314 58.314 60.225 -1.911 18734 659 1 2 . 1 1 49 49 ILE CB C 49 36.125 36.125 40.147 -4.022 18734 660 1 2 . 1 1 49 49 ILE H H 49 9.131 9.131 8.799 0.332 18734 661 1 2 . 1 1 50 50 LEU N N 50 128.685 128.685 129.261 -0.576 18734 662 1 2 . 1 1 50 50 LEU HA H 50 4.417 4.417 5.187 -0.770 18734 663 1 2 . 1 1 50 50 LEU CA C 50 50.414 50.414 53.258 -2.844 18734 664 1 2 . 1 1 50 50 LEU CB C 50 36.390 36.390 41.023 -4.633 18734 665 1 2 . 1 1 50 50 LEU H H 50 8.553 8.553 9.103 -0.550 18734 666 1 2 . 1 1 51 51 THR N N 51 109.751 109.751 114.713 -4.962 18734 667 1 2 . 1 1 51 51 THR HA H 51 3.935 3.935 4.369 -0.434 18734 668 1 2 . 1 1 51 51 THR CA C 51 60.194 60.194 62.126 -1.932 18734 669 1 2 . 1 1 51 51 THR CB C 51 66.107 66.107 68.842 -2.735 18734 670 1 2 . 1 1 51 51 THR H H 51 6.964 6.964 8.404 -1.440 18734 671 1 2 . 1 1 52 52 GLY N N 52 108.656 108.656 108.957 -0.301 18734 672 1 2 . 1 1 52 52 GLY CA C 52 42.432 42.432 43.951 -1.519 18734 673 1 2 . 1 1 52 52 GLY H H 52 8.409 8.409 7.258 1.151 18734 674 1 2 . 1 1 53 53 GLU N N 53 119.733 119.733 118.516 1.217 18734 675 1 2 . 1 1 53 53 GLU HA H 53 4.061 4.061 4.367 -0.306 18734 676 1 2 . 1 1 53 53 GLU CA C 53 54.296 54.296 56.675 -2.379 18734 677 1 2 . 1 1 53 53 GLU CB C 53 27.425 27.425 30.404 -2.978 18734 678 1 2 . 1 1 53 53 GLU H H 53 8.741 8.741 8.693 0.048 18734 679 1 2 . 1 1 54 54 ASP N N 54 118.231 118.231 115.969 2.262 18734 680 1 2 . 1 1 54 54 ASP HA H 54 5.035 5.035 4.875 0.160 18734 681 1 2 . 1 1 54 54 ASP CA C 54 46.882 46.882 51.636 -4.754 18734 682 1 2 . 1 1 54 54 ASP CB C 54 39.822 39.822 44.088 -4.266 18734 683 1 2 . 1 1 54 54 ASP H H 54 8.309 8.309 7.864 0.445 18734 684 1 2 . 1 1 55 55 PRO HA H 55 3.920 3.920 3.141 0.779 18734 685 1 2 . 1 1 55 55 PRO CA C 55 61.140 61.140 64.213 -3.073 18734 686 1 2 . 1 1 55 55 PRO CB C 55 30.606 30.606 31.567 -0.960 18734 687 1 2 . 1 1 56 56 SER N N 56 108.966 108.966 114.936 -5.970 18734 688 1 2 . 1 1 56 56 SER HA H 56 4.494 4.494 4.262 0.232 18734 689 1 2 . 1 1 56 56 SER CA C 56 57.752 57.752 60.924 -3.172 18734 690 1 2 . 1 1 56 56 SER CB C 56 60.574 60.574 62.770 -2.196 18734 691 1 2 . 1 1 56 56 SER H H 56 7.998 7.998 8.080 -0.082 18734 692 1 2 . 1 1 57 57 ALA N N 57 123.346 123.346 121.356 1.990 18734 693 1 2 . 1 1 57 57 ALA HA H 57 4.197 4.197 4.458 -0.261 18734 694 1 2 . 1 1 57 57 ALA CA C 57 49.452 49.452 52.663 -3.211 18734 695 1 2 . 1 1 57 57 ALA CB C 57 17.341 17.341 19.707 -2.366 18734 696 1 2 . 1 1 57 57 ALA H H 57 7.770 7.770 7.651 0.119 18734 697 1 2 . 1 1 58 58 TYR N N 58 118.640 118.640 118.291 0.349 18734 698 1 2 . 1 1 58 58 TYR HA H 58 4.844 4.844 4.924 -0.080 18734 699 1 2 . 1 1 58 58 TYR CA C 58 54.841 54.841 57.259 -2.418 18734 700 1 2 . 1 1 58 58 TYR CB C 58 39.626 39.626 40.938 -1.312 18734 701 1 2 . 1 1 58 58 TYR H H 58 7.878 7.878 8.278 -0.400 18734 702 1 2 . 1 1 59 59 SER N N 59 118.841 118.841 120.323 -1.482 18734 703 1 2 . 1 1 59 59 SER HA H 59 4.584 4.584 4.724 -0.140 18734 704 1 2 . 1 1 59 59 SER CA C 59 54.332 54.332 58.298 -3.966 18734 705 1 2 . 1 1 59 59 SER CB C 59 62.866 62.866 63.978 -1.112 18734 706 1 2 . 1 1 59 59 SER H H 59 9.289 9.289 8.998 0.291 18734 707 1 2 . 1 1 60 60 ALA N N 60 125.034 125.034 121.521 3.513 18734 708 1 2 . 1 1 60 60 ALA HA H 60 4.726 4.726 4.792 -0.066 18734 709 1 2 . 1 1 60 60 ALA CB C 60 20.233 20.233 21.702 -1.469 18734 710 1 2 . 1 1 60 60 ALA H H 60 7.473 7.473 8.162 -0.689 18734 711 1 2 . 1 1 61 61 GLY N N 61 109.267 109.267 107.963 1.304 18734 712 1 2 . 1 1 61 61 GLY CA C 61 41.504 41.504 43.878 -2.374 18734 713 1 2 . 1 1 61 61 GLY H H 61 9.368 9.368 8.260 1.108 18734 714 1 2 . 1 1 62 62 ASP N N 62 121.898 121.898 119.451 2.447 18734 715 1 2 . 1 1 62 62 ASP HA H 62 4.673 4.673 4.527 0.146 18734 716 1 2 . 1 1 62 62 ASP CB C 62 38.468 38.468 41.055 -2.587 18734 717 1 2 . 1 1 62 62 ASP H H 62 9.236 9.236 8.487 0.749 18734 718 1 2 . 1 1 63 63 GLY N N 63 111.438 111.438 107.109 4.329 18734 719 1 2 . 1 1 63 63 GLY CA C 63 43.099 43.099 44.357 -1.258 18734 720 1 2 . 1 1 63 63 GLY H H 63 8.774 8.774 8.530 0.244 18734 721 1 2 . 1 1 64 64 LEU N N 64 125.900 125.900 120.850 5.050 18734 722 1 2 . 1 1 64 64 LEU HA H 64 4.169 4.169 3.980 0.189 18734 723 1 2 . 1 1 64 64 LEU CA C 64 56.103 56.103 57.482 -1.379 18734 724 1 2 . 1 1 64 64 LEU CB C 64 40.431 40.431 42.247 -1.816 18734 725 1 2 . 1 1 64 64 LEU H H 64 7.483 7.483 7.288 0.195 18734 726 1 2 . 1 1 65 65 ARG N N 65 111.696 111.696 112.524 -0.828 18734 727 1 2 . 1 1 65 65 ARG HA H 65 4.057 4.057 4.369 -0.312 18734 728 1 2 . 1 1 65 65 ARG CA C 65 51.787 51.787 53.563 -1.776 18734 729 1 2 . 1 1 65 65 ARG CB C 65 26.474 26.474 28.869 -2.395 18734 730 1 2 . 1 1 65 65 ARG H H 65 8.071 8.071 7.879 0.192 18734 731 1 2 . 1 1 66 66 ASP N N 66 120.559 120.559 121.341 -0.782 18734 732 1 2 . 1 1 66 66 ASP HA H 66 4.121 4.121 4.463 -0.342 18734 733 1 2 . 1 1 66 66 ASP CA C 66 53.462 53.462 55.950 -2.488 18734 734 1 2 . 1 1 66 66 ASP CB C 66 37.557 37.557 41.463 -3.906 18734 735 1 2 . 1 1 66 66 ASP H H 66 7.293 7.293 7.543 -0.250 18734 736 1 2 . 1 1 67 67 GLY N N 67 110.131 110.131 111.878 -1.747 18734 737 1 2 . 1 1 67 67 GLY CA C 67 43.985 43.985 45.225 -1.240 18734 738 1 2 . 1 1 67 67 GLY H H 67 8.695 8.695 8.703 -0.008 18734 739 1 2 . 1 1 68 68 ALA N N 68 123.462 123.462 122.703 0.759 18734 740 1 2 . 1 1 68 68 ALA HA H 68 4.385 4.385 5.108 -0.723 18734 741 1 2 . 1 1 68 68 ALA CA C 68 49.065 49.065 51.230 -2.165 18734 742 1 2 . 1 1 68 68 ALA CB C 68 19.402 19.402 21.883 -2.481 18734 743 1 2 . 1 1 68 68 ALA H H 68 8.058 8.058 7.184 0.874 18734 744 1 2 . 1 1 69 69 ASP N N 69 116.343 116.343 118.730 -2.387 18734 745 1 2 . 1 1 69 69 ASP HA H 69 4.524 4.524 4.867 -0.343 18734 746 1 2 . 1 1 69 69 ASP CA C 69 51.240 51.240 53.970 -2.730 18734 747 1 2 . 1 1 69 69 ASP CB C 69 39.076 39.076 42.342 -3.266 18734 748 1 2 . 1 1 69 69 ASP H H 69 8.721 8.721 8.059 0.662 18734 749 1 2 . 1 1 70 70 PHE N N 70 113.658 113.658 119.141 -5.483 18734 750 1 2 . 1 1 70 70 PHE HA H 70 4.648 4.648 5.153 -0.505 18734 751 1 2 . 1 1 70 70 PHE CA C 70 52.114 52.114 54.561 -2.447 18734 752 1 2 . 1 1 70 70 PHE CB C 70 38.375 38.375 41.294 -2.919 18734 753 1 2 . 1 1 70 70 PHE H H 70 5.865 5.865 7.227 -1.362 18734 754 1 2 . 1 1 71 71 LEU N N 71 119.766 119.766 120.933 -1.167 18734 755 1 2 . 1 1 71 71 LEU HA H 71 4.915 4.915 5.020 -0.105 18734 756 1 2 . 1 1 71 71 LEU CA C 71 50.797 50.797 54.020 -3.223 18734 757 1 2 . 1 1 71 71 LEU CB C 71 41.482 41.482 45.863 -4.381 18734 758 1 2 . 1 1 71 71 LEU H H 71 7.964 7.964 8.369 -0.405 18734 759 1 2 . 1 1 72 72 ILE N N 72 123.675 123.675 122.407 1.268 18734 760 1 2 . 1 1 72 72 ILE HA H 72 4.728 4.728 4.787 -0.059 18734 761 1 2 . 1 1 72 72 ILE CB C 72 36.921 36.921 38.174 -1.253 18734 762 1 2 . 1 1 72 72 ILE H H 72 9.073 9.073 8.490 0.583 18734 763 1 2 . 1 1 73 73 CYS N N 73 125.409 125.409 126.851 -1.442 18734 764 1 2 . 1 1 73 73 CYS HA H 73 5.534 5.534 5.142 0.392 18734 765 1 2 . 1 1 73 73 CYS CA C 73 54.056 54.056 58.700 -4.644 18734 766 1 2 . 1 1 73 73 CYS CB C 73 27.753 27.753 27.328 0.425 18734 767 1 2 . 1 1 73 73 CYS H H 73 9.060 9.060 8.651 0.409 18734 768 1 2 . 1 1 74 74 VAL N N 74 114.408 114.408 120.133 -5.725 18734 769 1 2 . 1 1 74 74 VAL HA H 74 4.951 4.951 4.671 0.280 18734 770 1 2 . 1 1 74 74 VAL CA C 74 54.229 54.229 57.645 -3.417 18734 771 1 2 . 1 1 74 74 VAL CB C 74 29.675 29.675 33.451 -3.776 18734 772 1 2 . 1 1 74 74 VAL H H 74 7.938 7.938 8.840 -0.902 18734 773 1 2 . 1 1 75 75 PRO HA H 75 4.283 4.283 4.641 -0.358 18734 774 1 2 . 1 1 75 75 PRO CA C 75 60.889 60.889 62.042 -1.153 18734 775 1 2 . 1 1 75 75 PRO CB C 75 29.499 29.499 32.758 -3.259 18734 776 1 2 . 1 1 76 76 GLU N N 76 126.159 126.159 122.099 4.060 18734 777 1 2 . 1 1 76 76 GLU HA H 76 3.664 3.664 3.841 -0.177 18734 778 1 2 . 1 1 76 76 GLU CA C 76 58.112 58.112 59.925 -1.813 18734 779 1 2 . 1 1 76 76 GLU CB C 76 26.894 26.894 28.698 -1.804 18734 780 1 2 . 1 1 76 76 GLU H H 76 9.130 9.130 8.835 0.295 18734 781 1 2 . 1 1 77 77 GLU N N 77 117.145 117.145 119.825 -2.680 18734 782 1 2 . 1 1 77 77 GLU HA H 77 4.100 4.100 4.098 0.002 18734 783 1 2 . 1 1 77 77 GLU CA C 77 55.734 55.734 58.808 -3.074 18734 784 1 2 . 1 1 77 77 GLU CB C 77 26.315 26.315 29.059 -2.744 18734 785 1 2 . 1 1 77 77 GLU H H 77 9.350 9.350 8.717 0.633 18734 786 1 2 . 1 1 78 78 ALA N N 78 120.398 120.398 119.543 0.855 18734 787 1 2 . 1 1 78 78 ALA HA H 78 4.699 4.699 4.378 0.322 18734 788 1 2 . 1 1 78 78 ALA CB C 78 18.962 18.962 18.830 0.132 18734 789 1 2 . 1 1 78 78 ALA H H 78 8.044 8.044 7.709 0.335 18734 790 1 2 . 1 1 79 79 LEU N N 79 122.497 122.497 121.273 1.224 18734 791 1 2 . 1 1 79 79 LEU HA H 79 3.710 3.710 3.863 -0.153 18734 792 1 2 . 1 1 79 79 LEU CA C 79 56.837 56.837 58.525 -1.688 18734 793 1 2 . 1 1 79 79 LEU CB C 79 40.952 40.952 41.689 -0.737 18734 794 1 2 . 1 1 79 79 LEU H H 79 7.331 7.331 7.637 -0.306 18734 795 1 2 . 1 1 80 80 ASP N N 80 116.432 116.432 117.326 -0.894 18734 796 1 2 . 1 1 80 80 ASP HA H 80 4.357 4.357 4.442 -0.085 18734 797 1 2 . 1 1 80 80 ASP CA C 80 54.751 54.751 57.122 -2.371 18734 798 1 2 . 1 1 80 80 ASP CB C 80 38.534 38.534 40.799 -2.265 18734 799 1 2 . 1 1 80 80 ASP H H 80 8.305 8.305 8.499 -0.194 18734 800 1 2 . 1 1 81 81 ARG N N 81 119.433 119.433 120.000 -0.567 18734 801 1 2 . 1 1 81 81 ARG HA H 81 3.894 3.894 4.071 -0.177 18734 802 1 2 . 1 1 81 81 ARG CA C 81 56.473 56.473 59.562 -3.089 18734 803 1 2 . 1 1 81 81 ARG CB C 81 27.481 27.481 30.248 -2.767 18734 804 1 2 . 1 1 81 81 ARG H H 81 7.638 7.638 8.012 -0.374 18734 805 1 2 . 1 1 82 82 TYR N N 82 116.397 116.397 118.887 -2.490 18734 806 1 2 . 1 1 82 82 TYR HA H 82 3.830 3.830 4.257 -0.427 18734 807 1 2 . 1 1 82 82 TYR CA C 82 61.170 61.170 61.500 -0.330 18734 808 1 2 . 1 1 82 82 TYR CB C 82 37.031 37.031 38.062 -1.031 18734 809 1 2 . 1 1 82 82 TYR H H 82 8.198 8.198 8.752 -0.554 18734 810 1 2 . 1 1 83 83 ARG N N 83 113.114 113.114 116.459 -3.345 18734 811 1 2 . 1 1 83 83 ARG HA H 83 3.728 3.728 4.214 -0.486 18734 812 1 2 . 1 1 83 83 ARG CA C 83 58.115 58.115 58.436 -0.321 18734 813 1 2 . 1 1 83 83 ARG CB C 83 28.107 28.107 30.335 -2.228 18734 814 1 2 . 1 1 83 83 ARG H H 83 8.151 8.151 7.535 0.616 18734 815 1 2 . 1 1 84 84 ARG N N 84 111.791 111.791 116.108 -4.317 18734 816 1 2 . 1 1 84 84 ARG HA H 84 4.386 4.386 4.375 0.011 18734 817 1 2 . 1 1 84 84 ARG CA C 84 52.335 52.335 55.904 -3.569 18734 818 1 2 . 1 1 84 84 ARG CB C 84 27.987 27.987 30.383 -2.396 18734 819 1 2 . 1 1 84 84 ARG H H 84 7.571 7.571 7.539 0.032 18734 820 1 2 . 1 1 85 85 ASP N N 85 123.157 123.157 121.506 1.651 18734 821 1 2 . 1 1 85 85 ASP HA H 85 4.373 4.373 4.667 -0.294 18734 822 1 2 . 1 1 85 85 ASP CA C 85 52.852 52.852 53.309 -0.457 18734 823 1 2 . 1 1 85 85 ASP CB C 85 42.482 42.482 43.049 -0.567 18734 824 1 2 . 1 1 85 85 ASP H H 85 7.200 7.200 7.754 -0.554 18734 825 1 2 . 1 1 86 86 TYR N N 86 123.389 123.389 125.075 -1.686 18734 826 1 2 . 1 1 86 86 TYR HA H 86 4.092 4.092 4.455 -0.363 18734 827 1 2 . 1 1 86 86 TYR CA C 86 58.674 58.674 58.983 -0.309 18734 828 1 2 . 1 1 86 86 TYR CB C 86 35.801 35.801 38.230 -2.429 18734 829 1 2 . 1 1 86 86 TYR H H 86 8.440 8.440 8.964 -0.524 18734 830 1 2 . 1 1 87 87 PHE N N 87 117.092 117.092 118.659 -1.567 18734 831 1 2 . 1 1 87 87 PHE HA H 87 4.378 4.378 4.762 -0.384 18734 832 1 2 . 1 1 87 87 PHE CA C 87 57.433 57.433 57.668 -0.235 18734 833 1 2 . 1 1 87 87 PHE CB C 87 37.442 37.442 39.455 -2.013 18734 834 1 2 . 1 1 87 87 PHE H H 87 7.931 7.931 7.861 0.070 18734 835 1 2 . 1 1 88 88 TRP N N 88 121.396 121.396 121.165 0.231 18734 836 1 2 . 1 1 88 88 TRP HA H 88 3.798 3.798 4.037 -0.239 18734 837 1 2 . 1 1 88 88 TRP CA C 88 59.544 59.544 61.354 -1.810 18734 838 1 2 . 1 1 88 88 TRP CB C 88 26.293 26.293 29.375 -3.083 18734 839 1 2 . 1 1 88 88 TRP H H 88 9.757 9.757 8.986 0.771 18734 840 1 2 . 1 1 89 89 GLN N N 89 117.760 117.760 119.307 -1.547 18734 841 1 2 . 1 1 89 89 GLN HA H 89 4.393 4.393 3.995 0.398 18734 842 1 2 . 1 1 89 89 GLN CA C 89 55.882 55.882 59.136 -3.255 18734 843 1 2 . 1 1 89 89 GLN CB C 89 30.198 30.198 28.311 1.887 18734 844 1 2 . 1 1 89 89 GLN H H 89 8.490 8.490 7.974 0.516 18734 845 1 2 . 1 1 90 90 THR N N 90 118.285 118.285 114.920 3.365 18734 846 1 2 . 1 1 90 90 THR HA H 90 3.686 3.686 4.129 -0.443 18734 847 1 2 . 1 1 90 90 THR CA C 90 62.770 62.770 65.376 -2.606 18734 848 1 2 . 1 1 90 90 THR CB C 90 66.664 66.664 69.018 -2.354 18734 849 1 2 . 1 1 90 90 THR H H 90 7.932 7.932 8.196 -0.264 18734 850 1 2 . 1 1 91 91 TYR N N 91 118.448 118.448 119.290 -0.842 18734 851 1 2 . 1 1 91 91 TYR HA H 91 4.975 4.975 5.051 -0.076 18734 852 1 2 . 1 1 91 91 TYR CA C 91 55.511 55.511 57.565 -2.054 18734 853 1 2 . 1 1 91 91 TYR CB C 91 37.126 37.126 37.742 -0.616 18734 854 1 2 . 1 1 91 91 TYR H H 91 8.009 8.009 7.911 0.098 18734 855 1 2 . 1 1 92 92 ALA N N 92 122.351 122.351 124.053 -1.702 18734 856 1 2 . 1 1 92 92 ALA HA H 92 3.843 3.843 4.108 -0.265 18734 857 1 2 . 1 1 92 92 ALA CA C 92 54.108 54.108 54.523 -0.415 18734 858 1 2 . 1 1 92 92 ALA CB C 92 16.505 16.505 18.149 -1.645 18734 859 1 2 . 1 1 92 92 ALA H H 92 7.665 7.665 8.292 -0.627 18734 860 1 2 . 1 1 93 93 ALA N N 93 117.548 117.548 121.030 -3.482 18734 861 1 2 . 1 1 93 93 ALA HA H 93 3.702 3.702 3.864 -0.162 18734 862 1 2 . 1 1 93 93 ALA CA C 93 51.371 51.371 53.822 -2.451 18734 863 1 2 . 1 1 93 93 ALA CB C 93 14.292 14.292 17.945 -3.653 18734 864 1 2 . 1 1 93 93 ALA H H 93 8.275 8.275 8.202 0.073 18734 865 1 2 . 1 1 94 94 TRP N N 94 115.303 115.303 113.103 2.200 18734 866 1 2 . 1 1 94 94 TRP HA H 94 4.669 4.669 4.970 -0.301 18734 867 1 2 . 1 1 94 94 TRP CB C 94 26.912 26.912 31.181 -4.269 18734 868 1 2 . 1 1 94 94 TRP H H 94 8.203 8.203 8.041 0.162 18734 869 1 2 . 1 1 95 95 ILE N N 95 120.680 120.680 121.722 -1.042 18734 870 1 2 . 1 1 95 95 ILE HA H 95 5.325 5.325 4.584 0.741 18734 871 1 2 . 1 1 95 95 ILE CA C 95 57.930 57.930 61.495 -3.565 18734 872 1 2 . 1 1 95 95 ILE CB C 95 36.508 36.508 37.717 -1.209 18734 873 1 2 . 1 1 95 95 ILE H H 95 7.153 7.153 7.370 -0.217 18734 874 1 2 . 1 1 96 96 GLN N N 96 128.223 128.223 126.281 1.942 18734 875 1 2 . 1 1 96 96 GLN HA H 96 4.691 4.691 4.867 -0.176 18734 876 1 2 . 1 1 96 96 GLN CB C 96 28.885 28.885 29.496 -0.611 18734 877 1 2 . 1 1 96 96 GLN H H 96 9.189 9.189 8.369 0.820 18734 878 1 2 . 1 1 97 97 PRO HA H 97 4.833 4.833 4.773 0.060 18734 879 1 2 . 1 1 97 97 PRO CA C 97 59.122 59.122 62.655 -3.533 18734 880 1 2 . 1 1 97 97 PRO CB C 97 29.515 29.515 32.514 -2.999 18734 881 1 2 . 1 1 98 98 MET N N 98 120.815 120.815 119.971 0.844 18734 882 1 2 . 1 1 98 98 MET HA H 98 4.116 4.116 4.406 -0.290 18734 883 1 2 . 1 1 98 98 MET CA C 98 52.944 52.944 55.603 -2.659 18734 884 1 2 . 1 1 98 98 MET CB C 98 30.981 30.981 33.381 -2.400 18734 885 1 2 . 1 1 98 98 MET H H 98 8.551 8.551 8.079 0.472 18734 886 1 2 . 1 1 99 99 GLU N N 99 124.677 124.677 119.863 4.814 18734 887 1 2 . 1 1 99 99 GLU HA H 99 4.220 4.220 4.521 -0.301 18734 888 1 2 . 1 1 99 99 GLU CA C 99 53.952 53.952 55.693 -1.740 18734 889 1 2 . 1 1 99 99 GLU CB C 99 27.803 27.803 30.140 -2.337 18734 890 1 2 . 1 1 99 99 GLU H H 99 8.532 8.532 8.349 0.183 18734 891 1 3 . 1 1 2 2 SER HA H 2 4.373 4.373 4.668 -0.295 18734 892 1 3 . 1 1 2 2 SER CA C 2 55.756 55.756 58.907 -3.151 18734 893 1 3 . 1 1 2 2 SER CB C 2 61.143 61.143 63.474 -2.331 18734 894 1 3 . 1 1 3 3 HIS HA H 3 4.613 4.613 4.679 -0.066 18734 895 1 3 . 1 1 3 3 HIS CA C 3 52.991 52.991 54.709 -1.718 18734 896 1 3 . 1 1 3 3 HIS CB C 3 26.607 26.607 31.685 -5.078 18734 897 1 3 . 1 1 4 4 GLU N N 4 122.124 122.124 121.796 0.328 18734 898 1 3 . 1 1 4 4 GLU HA H 4 4.171 4.171 4.329 -0.158 18734 899 1 3 . 1 1 4 4 GLU CA C 4 54.441 54.441 56.668 -2.227 18734 900 1 3 . 1 1 4 4 GLU CB C 4 27.585 27.585 29.786 -2.201 18734 901 1 3 . 1 1 4 4 GLU H H 4 8.415 8.415 8.718 -0.303 18734 902 1 3 . 1 1 5 5 GLY N N 5 110.434 110.434 112.166 -1.732 18734 903 1 3 . 1 1 5 5 GLY CA C 5 42.610 42.610 44.778 -2.168 18734 904 1 3 . 1 1 5 5 GLY H H 5 8.488 8.488 8.517 -0.029 18734 905 1 3 . 1 1 6 6 GLU N N 6 121.376 121.376 120.495 0.881 18734 906 1 3 . 1 1 6 6 GLU HA H 6 4.560 4.560 4.649 -0.089 18734 907 1 3 . 1 1 6 6 GLU CA C 6 51.629 51.629 53.356 -1.727 18734 908 1 3 . 1 1 6 6 GLU CB C 6 26.998 26.998 31.757 -4.759 18734 909 1 3 . 1 1 6 6 GLU H H 6 7.954 7.954 8.058 -0.104 18734 910 1 3 . 1 1 7 7 PRO HA H 7 4.464 4.464 4.186 0.278 18734 911 1 3 . 1 1 7 7 PRO CA C 7 60.517 60.517 62.702 -2.185 18734 912 1 3 . 1 1 7 7 PRO CB C 7 29.486 29.486 30.569 -1.083 18734 913 1 3 . 1 1 8 8 VAL N N 8 120.493 120.493 119.656 0.837 18734 914 1 3 . 1 1 8 8 VAL HA H 8 4.387 4.387 4.351 0.036 18734 915 1 3 . 1 1 8 8 VAL CA C 8 58.483 58.483 59.851 -1.368 18734 916 1 3 . 1 1 8 8 VAL CB C 8 31.177 31.177 34.919 -3.742 18734 917 1 3 . 1 1 8 8 VAL H H 8 8.177 8.177 7.864 0.313 18734 918 1 3 . 1 1 9 9 VAL N N 9 124.516 124.516 121.566 2.950 18734 919 1 3 . 1 1 9 9 VAL HA H 9 4.024 4.024 4.635 -0.611 18734 920 1 3 . 1 1 9 9 VAL CA C 9 60.336 60.336 59.947 0.389 18734 921 1 3 . 1 1 9 9 VAL CB C 9 29.995 29.995 33.794 -3.799 18734 922 1 3 . 1 1 9 9 VAL H H 9 8.246 8.246 8.336 -0.090 18734 923 1 3 . 1 1 10 10 GLY N N 10 114.968 114.968 114.339 0.629 18734 924 1 3 . 1 1 10 10 GLY CA C 10 42.318 42.318 46.037 -3.719 18734 925 1 3 . 1 1 10 10 GLY H H 10 8.595 8.595 8.595 -0.000 18734 926 1 3 . 1 1 11 11 MET N N 11 120.532 120.532 119.967 0.565 18734 927 1 3 . 1 1 11 11 MET CA C 11 53.802 53.802 55.712 -1.910 18734 928 1 3 . 1 1 11 11 MET CB C 11 30.698 30.698 33.784 -3.086 18734 929 1 3 . 1 1 11 11 MET H H 11 8.320 8.320 8.153 0.167 18734 930 1 3 . 1 1 12 12 ASP N N 12 120.515 120.515 121.080 -0.565 18734 931 1 3 . 1 1 12 12 ASP HA H 12 4.637 4.637 4.881 -0.244 18734 932 1 3 . 1 1 12 12 ASP CB C 12 38.090 38.090 43.990 -5.900 18734 933 1 3 . 1 1 12 12 ASP H H 12 8.261 8.261 7.983 0.278 18734 934 1 3 . 1 1 13 13 LYS N N 13 123.685 123.685 122.555 1.130 18734 935 1 3 . 1 1 13 13 LYS HA H 13 4.623 4.623 4.969 -0.346 18734 936 1 3 . 1 1 13 13 LYS CA C 13 50.898 50.898 56.437 -5.539 18734 937 1 3 . 1 1 13 13 LYS CB C 13 30.003 30.003 33.564 -3.561 18734 938 1 3 . 1 1 13 13 LYS H H 13 8.579 8.579 8.639 -0.060 18734 939 1 3 . 1 1 14 14 SER N N 14 115.048 115.048 116.515 -1.467 18734 940 1 3 . 1 1 14 14 SER HA H 14 4.447 4.447 5.022 -0.575 18734 941 1 3 . 1 1 14 14 SER CA C 14 56.917 56.917 59.218 -2.301 18734 942 1 3 . 1 1 14 14 SER CB C 14 61.536 61.536 65.456 -3.920 18734 943 1 3 . 1 1 14 14 SER H H 14 8.507 8.507 9.378 -0.871 18734 944 1 3 . 1 1 15 15 LEU N N 15 119.294 119.294 121.367 -2.073 18734 945 1 3 . 1 1 15 15 LEU HA H 15 3.989 3.989 4.356 -0.367 18734 946 1 3 . 1 1 15 15 LEU CA C 15 53.219 53.219 56.222 -3.003 18734 947 1 3 . 1 1 15 15 LEU CB C 15 39.813 39.813 39.456 0.357 18734 948 1 3 . 1 1 15 15 LEU H H 15 6.908 6.908 8.116 -1.208 18734 949 1 3 . 1 1 16 16 PHE N N 16 117.103 117.103 119.507 -2.404 18734 950 1 3 . 1 1 16 16 PHE HA H 16 4.397 4.397 4.507 -0.110 18734 951 1 3 . 1 1 16 16 PHE CA C 16 56.719 56.719 59.536 -2.817 18734 952 1 3 . 1 1 16 16 PHE CB C 16 37.917 37.917 38.929 -1.012 18734 953 1 3 . 1 1 16 16 PHE H H 16 7.658 7.658 7.880 -0.223 18734 954 1 3 . 1 1 17 17 ALA N N 17 120.694 120.694 122.454 -1.760 18734 955 1 3 . 1 1 17 17 ALA HA H 17 3.964 3.964 4.677 -0.713 18734 956 1 3 . 1 1 17 17 ALA CA C 17 51.840 51.840 51.561 0.279 18734 957 1 3 . 1 1 17 17 ALA CB C 17 15.004 15.004 17.369 -2.365 18734 958 1 3 . 1 1 17 17 ALA H H 17 7.514 7.514 7.528 -0.014 18734 959 1 3 . 1 1 18 18 GLY N N 18 110.007 110.007 110.021 -0.014 18734 960 1 3 . 1 1 18 18 GLY CA C 18 43.150 43.150 45.648 -2.498 18734 961 1 3 . 1 1 18 18 GLY H H 18 8.204 8.204 8.220 -0.016 18734 962 1 3 . 1 1 19 19 ASN N N 19 119.323 119.323 121.006 -1.683 18734 963 1 3 . 1 1 19 19 ASN HA H 19 4.733 4.733 5.014 -0.281 18734 964 1 3 . 1 1 19 19 ASN CB C 19 36.020 36.020 38.687 -2.667 18734 965 1 3 . 1 1 19 19 ASN H H 19 8.124 8.124 8.153 -0.029 18734 966 1 3 . 1 1 20 20 THR N N 20 116.844 116.844 118.741 -1.897 18734 967 1 3 . 1 1 20 20 THR HA H 20 4.243 4.243 4.177 0.066 18734 968 1 3 . 1 1 20 20 THR CA C 20 60.224 60.224 63.453 -3.229 18734 969 1 3 . 1 1 20 20 THR CB C 20 66.167 66.167 67.432 -1.265 18734 970 1 3 . 1 1 20 20 THR H H 20 8.400 8.400 8.881 -0.481 18734 971 1 3 . 1 1 21 21 VAL N N 21 117.661 117.661 120.070 -2.409 18734 972 1 3 . 1 1 21 21 VAL HA H 21 4.161 4.161 4.228 -0.067 18734 973 1 3 . 1 1 21 21 VAL CA C 21 59.739 59.739 62.347 -2.608 18734 974 1 3 . 1 1 21 21 VAL CB C 21 31.224 31.224 34.125 -2.901 18734 975 1 3 . 1 1 21 21 VAL H H 21 8.412 8.412 7.933 0.479 18734 976 1 3 . 1 1 22 22 ILE N N 22 120.465 120.465 123.579 -3.114 18734 977 1 3 . 1 1 22 22 ILE HA H 22 3.873 3.873 4.033 -0.160 18734 978 1 3 . 1 1 22 22 ILE CA C 22 59.860 59.860 61.673 -1.813 18734 979 1 3 . 1 1 22 22 ILE CB C 22 37.052 37.052 37.181 -0.129 18734 980 1 3 . 1 1 22 22 ILE H H 22 7.300 7.300 7.664 -0.364 18734 981 1 3 . 1 1 23 23 ARG N N 23 122.168 122.168 126.340 -4.172 18734 982 1 3 . 1 1 23 23 ARG HA H 23 4.940 4.940 4.351 0.589 18734 983 1 3 . 1 1 23 23 ARG CA C 23 54.175 54.175 57.888 -3.713 18734 984 1 3 . 1 1 23 23 ARG CB C 23 30.921 30.921 30.745 0.176 18734 985 1 3 . 1 1 23 23 ARG H H 23 8.328 8.328 8.143 0.185 18734 986 1 3 . 1 1 24 24 GLU N N 24 117.968 117.968 115.928 2.040 18734 987 1 3 . 1 1 24 24 GLU HA H 24 5.100 5.100 4.419 0.681 18734 988 1 3 . 1 1 24 24 GLU CA C 24 51.948 51.948 55.343 -3.395 18734 989 1 3 . 1 1 24 24 GLU CB C 24 30.737 30.737 32.912 -2.175 18734 990 1 3 . 1 1 24 24 GLU H H 24 7.474 7.474 7.690 -0.216 18734 991 1 3 . 1 1 25 25 ILE N N 25 121.135 121.135 123.742 -2.607 18734 992 1 3 . 1 1 25 25 ILE HA H 25 4.205 4.205 4.397 -0.192 18734 993 1 3 . 1 1 25 25 ILE CA C 25 57.149 57.149 60.275 -3.126 18734 994 1 3 . 1 1 25 25 ILE CB C 25 39.882 39.882 41.550 -1.668 18734 995 1 3 . 1 1 25 25 ILE H H 25 7.591 7.591 8.035 -0.444 18734 996 1 3 . 1 1 26 26 THR N N 26 122.935 122.935 123.782 -0.847 18734 997 1 3 . 1 1 26 26 THR HA H 26 4.999 4.999 4.828 0.171 18734 998 1 3 . 1 1 26 26 THR CA C 26 59.185 59.185 62.868 -3.683 18734 999 1 3 . 1 1 26 26 THR CB C 26 67.259 67.259 69.620 -2.361 18734 1000 1 3 . 1 1 26 26 THR H H 26 8.243 8.243 8.507 -0.264 18734 1001 1 3 . 1 1 27 27 VAL N N 27 124.220 124.220 122.961 1.259 18734 1002 1 3 . 1 1 27 27 VAL HA H 27 4.421 4.421 4.541 -0.120 18734 1003 1 3 . 1 1 27 27 VAL CA C 27 58.144 58.144 60.062 -1.918 18734 1004 1 3 . 1 1 27 27 VAL CB C 27 30.727 30.727 35.840 -5.113 18734 1005 1 3 . 1 1 27 27 VAL H H 27 9.216 9.216 8.731 0.485 18734 1006 1 3 . 1 1 28 28 GLN N N 28 129.280 129.280 122.901 6.379 18734 1007 1 3 . 1 1 28 28 GLN HA H 28 4.702 4.702 5.130 -0.428 18734 1008 1 3 . 1 1 28 28 GLN CB C 28 25.480 25.480 29.069 -3.589 18734 1009 1 3 . 1 1 28 28 GLN H H 28 8.782 8.782 8.426 0.356 18734 1010 1 3 . 1 1 29 29 PRO HA H 29 3.457 3.457 3.675 -0.218 18734 1011 1 3 . 1 1 29 29 PRO CA C 29 60.712 60.712 62.691 -1.979 18734 1012 1 3 . 1 1 29 29 PRO CB C 29 30.122 30.122 32.327 -2.205 18734 1013 1 3 . 1 1 30 30 ASN N N 30 113.396 113.396 117.780 -4.384 18734 1014 1 3 . 1 1 30 30 ASN HA H 30 4.329 4.329 4.205 0.124 18734 1015 1 3 . 1 1 30 30 ASN CA C 30 51.999 51.999 54.390 -2.391 18734 1016 1 3 . 1 1 30 30 ASN CB C 30 34.627 34.627 37.655 -3.028 18734 1017 1 3 . 1 1 30 30 ASN H H 30 8.199 8.199 8.435 -0.236 18734 1018 1 3 . 1 1 31 31 ILE N N 31 115.907 115.907 120.443 -4.536 18734 1019 1 3 . 1 1 31 31 ILE HA H 31 4.395 4.395 4.255 0.140 18734 1020 1 3 . 1 1 31 31 ILE CA C 31 57.434 57.434 59.981 -2.547 18734 1021 1 3 . 1 1 31 31 ILE CB C 31 36.859 36.859 38.675 -1.816 18734 1022 1 3 . 1 1 31 31 ILE H H 31 8.201 8.201 8.239 -0.038 18734 1023 1 3 . 1 1 32 32 GLY N N 32 111.217 111.217 107.763 3.454 18734 1024 1 3 . 1 1 32 32 GLY CA C 32 41.729 41.729 44.247 -2.518 18734 1025 1 3 . 1 1 32 32 GLY H H 32 7.998 7.998 7.599 0.399 18734 1026 1 3 . 1 1 33 33 LEU N N 33 120.007 120.007 121.135 -1.128 18734 1027 1 3 . 1 1 33 33 LEU HA H 33 3.880 3.880 4.518 -0.638 18734 1028 1 3 . 1 1 33 33 LEU CA C 33 53.595 53.595 54.125 -0.530 18734 1029 1 3 . 1 1 33 33 LEU CB C 33 40.528 40.528 43.027 -2.499 18734 1030 1 3 . 1 1 33 33 LEU H H 33 7.820 7.820 8.336 -0.516 18734 1031 1 3 . 1 1 34 34 LEU N N 34 128.106 128.106 128.757 -0.651 18734 1032 1 3 . 1 1 34 34 LEU HA H 34 4.485 4.485 4.213 0.272 18734 1033 1 3 . 1 1 34 34 LEU CA C 34 51.078 51.078 54.293 -3.215 18734 1034 1 3 . 1 1 34 34 LEU CB C 34 37.447 37.447 40.099 -2.652 18734 1035 1 3 . 1 1 34 34 LEU H H 34 8.551 8.551 8.732 -0.181 18734 1036 1 3 . 1 1 35 35 TYR N N 35 121.473 121.473 122.057 -0.584 18734 1037 1 3 . 1 1 35 35 TYR HA H 35 4.240 4.240 4.370 -0.130 18734 1038 1 3 . 1 1 35 35 TYR CA C 35 53.814 53.814 56.639 -2.825 18734 1039 1 3 . 1 1 35 35 TYR CB C 35 36.868 36.868 38.048 -1.180 18734 1040 1 3 . 1 1 35 35 TYR H H 35 6.363 6.363 7.752 -1.389 18734 1041 1 3 . 1 1 36 36 ASP N N 36 119.590 119.590 118.401 1.189 18734 1042 1 3 . 1 1 36 36 ASP HA H 36 3.980 3.980 4.444 -0.464 18734 1043 1 3 . 1 1 36 36 ASP CA C 36 52.760 52.760 54.314 -1.554 18734 1044 1 3 . 1 1 36 36 ASP CB C 36 37.119 37.119 41.416 -4.297 18734 1045 1 3 . 1 1 36 36 ASP H H 36 8.573 8.573 8.443 0.130 18734 1046 1 3 . 1 1 37 37 GLY N N 37 108.636 108.636 106.521 2.115 18734 1047 1 3 . 1 1 37 37 GLY CA C 37 44.335 44.335 45.710 -1.375 18734 1048 1 3 . 1 1 37 37 GLY H H 37 7.903 7.903 8.690 -0.787 18734 1049 1 3 . 1 1 38 38 MET N N 38 120.339 120.339 123.524 -3.185 18734 1050 1 3 . 1 1 38 38 MET HA H 38 3.631 3.631 3.612 0.019 18734 1051 1 3 . 1 1 38 38 MET CA C 38 56.101 56.101 57.204 -1.103 18734 1052 1 3 . 1 1 38 38 MET CB C 38 29.166 29.166 31.622 -2.456 18734 1053 1 3 . 1 1 38 38 MET H H 38 7.873 7.873 7.966 -0.093 18734 1054 1 3 . 1 1 39 39 PHE N N 39 115.430 115.430 111.910 3.520 18734 1055 1 3 . 1 1 39 39 PHE HA H 39 4.908 4.908 4.905 0.003 18734 1056 1 3 . 1 1 39 39 PHE CA C 39 52.898 52.898 55.722 -2.824 18734 1057 1 3 . 1 1 39 39 PHE CB C 39 36.647 36.647 39.110 -2.463 18734 1058 1 3 . 1 1 39 39 PHE H H 39 8.504 8.504 7.645 0.859 18734 1059 1 3 . 1 1 40 40 SER N N 40 113.647 113.647 116.813 -3.166 18734 1060 1 3 . 1 1 40 40 SER HA H 40 4.238 4.238 4.220 0.018 18734 1061 1 3 . 1 1 40 40 SER CA C 40 56.954 56.954 59.907 -2.953 18734 1062 1 3 . 1 1 40 40 SER CB C 40 60.458 60.458 62.813 -2.356 18734 1063 1 3 . 1 1 40 40 SER H H 40 7.264 7.264 7.703 -0.439 18734 1064 1 3 . 1 1 41 41 GLY N N 41 115.225 115.225 115.933 -0.708 18734 1065 1 3 . 1 1 41 41 GLY CA C 41 42.941 42.941 44.961 -2.020 18734 1066 1 3 . 1 1 41 41 GLY H H 41 9.110 9.110 8.596 0.514 18734 1067 1 3 . 1 1 42 42 CYS N N 42 120.385 120.385 121.042 -0.657 18734 1068 1 3 . 1 1 42 42 CYS HA H 42 4.761 4.761 4.570 0.191 18734 1069 1 3 . 1 1 42 42 CYS CB C 42 23.867 23.867 25.628 -1.761 18734 1070 1 3 . 1 1 42 42 CYS H H 42 7.929 7.929 8.114 -0.185 18734 1071 1 3 . 1 1 43 43 THR N N 43 113.920 113.920 116.494 -2.574 18734 1072 1 3 . 1 1 43 43 THR HA H 43 3.863 3.863 4.167 -0.304 18734 1073 1 3 . 1 1 43 43 THR CA C 43 61.663 61.663 63.871 -2.208 18734 1074 1 3 . 1 1 43 43 THR CB C 43 66.027 66.027 68.552 -2.525 18734 1075 1 3 . 1 1 43 43 THR H H 43 7.495 7.495 8.465 -0.970 18734 1076 1 3 . 1 1 44 44 ALA N N 44 123.479 123.479 122.315 1.164 18734 1077 1 3 . 1 1 44 44 ALA HA H 44 4.477 4.477 4.481 -0.004 18734 1078 1 3 . 1 1 44 44 ALA CA C 44 48.198 48.198 51.219 -3.021 18734 1079 1 3 . 1 1 44 44 ALA CB C 44 17.096 17.096 19.358 -2.262 18734 1080 1 3 . 1 1 44 44 ALA H H 44 8.551 8.551 7.627 0.924 18734 1081 1 3 . 1 1 45 45 LEU N N 45 121.070 121.070 120.166 0.904 18734 1082 1 3 . 1 1 45 45 LEU HA H 45 3.981 3.981 4.928 -0.947 18734 1083 1 3 . 1 1 45 45 LEU CA C 45 53.838 53.838 54.431 -0.593 18734 1084 1 3 . 1 1 45 45 LEU CB C 45 40.243 40.243 43.757 -3.514 18734 1085 1 3 . 1 1 45 45 LEU H H 45 6.819 6.819 7.621 -0.802 18734 1086 1 3 . 1 1 46 46 GLU N N 46 128.627 128.627 124.249 4.378 18734 1087 1 3 . 1 1 46 46 GLU HA H 46 4.511 4.511 4.695 -0.184 18734 1088 1 3 . 1 1 46 46 GLU CA C 46 54.357 54.357 56.172 -1.815 18734 1089 1 3 . 1 1 46 46 GLU CB C 46 29.883 29.883 32.415 -2.532 18734 1090 1 3 . 1 1 46 46 GLU H H 46 9.401 9.401 8.238 1.163 18734 1091 1 3 . 1 1 47 47 LYS N N 47 116.297 116.297 119.412 -3.115 18734 1092 1 3 . 1 1 47 47 LYS HA H 47 5.128 5.128 4.575 0.553 18734 1093 1 3 . 1 1 47 47 LYS CA C 47 52.808 52.808 55.183 -2.375 18734 1094 1 3 . 1 1 47 47 LYS CB C 47 35.325 35.325 35.594 -0.269 18734 1095 1 3 . 1 1 47 47 LYS H H 47 7.171 7.171 7.582 -0.411 18734 1096 1 3 . 1 1 48 48 LEU N N 48 125.474 125.474 121.112 4.362 18734 1097 1 3 . 1 1 48 48 LEU HA H 48 4.403 4.403 5.030 -0.627 18734 1098 1 3 . 1 1 48 48 LEU CA C 48 50.489 50.489 54.104 -3.615 18734 1099 1 3 . 1 1 48 48 LEU CB C 48 41.991 41.991 46.606 -4.615 18734 1100 1 3 . 1 1 48 48 LEU H H 48 8.715 8.715 7.950 0.765 18734 1101 1 3 . 1 1 49 49 ILE N N 49 127.246 127.246 122.903 4.343 18734 1102 1 3 . 1 1 49 49 ILE HA H 49 4.145 4.145 4.762 -0.617 18734 1103 1 3 . 1 1 49 49 ILE CA C 49 58.314 58.314 60.127 -1.813 18734 1104 1 3 . 1 1 49 49 ILE CB C 49 36.125 36.125 41.891 -5.766 18734 1105 1 3 . 1 1 49 49 ILE H H 49 9.131 9.131 8.753 0.378 18734 1106 1 3 . 1 1 50 50 LEU N N 50 128.685 128.685 126.466 2.219 18734 1107 1 3 . 1 1 50 50 LEU HA H 50 4.417 4.417 5.229 -0.812 18734 1108 1 3 . 1 1 50 50 LEU CA C 50 50.414 50.414 53.549 -3.135 18734 1109 1 3 . 1 1 50 50 LEU CB C 50 36.390 36.390 42.298 -5.909 18734 1110 1 3 . 1 1 50 50 LEU H H 50 8.553 8.553 8.417 0.136 18734 1111 1 3 . 1 1 51 51 THR N N 51 109.751 109.751 114.473 -4.722 18734 1112 1 3 . 1 1 51 51 THR HA H 51 3.935 3.935 4.275 -0.340 18734 1113 1 3 . 1 1 51 51 THR CA C 51 60.194 60.194 63.129 -2.935 18734 1114 1 3 . 1 1 51 51 THR CB C 51 66.107 66.107 69.257 -3.150 18734 1115 1 3 . 1 1 51 51 THR H H 51 6.964 6.964 8.685 -1.721 18734 1116 1 3 . 1 1 52 52 GLY N N 52 108.656 108.656 111.108 -2.452 18734 1117 1 3 . 1 1 52 52 GLY CA C 52 42.432 42.432 44.128 -1.696 18734 1118 1 3 . 1 1 52 52 GLY H H 52 8.409 8.409 7.941 0.468 18734 1119 1 3 . 1 1 53 53 GLU N N 53 119.733 119.733 117.730 2.003 18734 1120 1 3 . 1 1 53 53 GLU HA H 53 4.061 4.061 4.459 -0.398 18734 1121 1 3 . 1 1 53 53 GLU CA C 53 54.296 54.296 55.825 -1.529 18734 1122 1 3 . 1 1 53 53 GLU CB C 53 27.425 27.425 30.378 -2.953 18734 1123 1 3 . 1 1 53 53 GLU H H 53 8.741 8.741 8.548 0.193 18734 1124 1 3 . 1 1 54 54 ASP N N 54 118.231 118.231 119.239 -1.008 18734 1125 1 3 . 1 1 54 54 ASP HA H 54 5.035 5.035 4.873 0.162 18734 1126 1 3 . 1 1 54 54 ASP CA C 54 46.882 46.882 50.648 -3.766 18734 1127 1 3 . 1 1 54 54 ASP CB C 54 39.822 39.822 44.083 -4.261 18734 1128 1 3 . 1 1 54 54 ASP H H 54 8.309 8.309 8.058 0.251 18734 1129 1 3 . 1 1 55 55 PRO HA H 55 3.920 3.920 3.247 0.673 18734 1130 1 3 . 1 1 55 55 PRO CA C 55 61.140 61.140 63.769 -2.629 18734 1131 1 3 . 1 1 55 55 PRO CB C 55 30.606 30.606 31.892 -1.286 18734 1132 1 3 . 1 1 56 56 SER N N 56 108.966 108.966 114.852 -5.886 18734 1133 1 3 . 1 1 56 56 SER HA H 56 4.494 4.494 4.394 0.100 18734 1134 1 3 . 1 1 56 56 SER CA C 56 57.752 57.752 60.038 -2.286 18734 1135 1 3 . 1 1 56 56 SER CB C 56 60.574 60.574 62.452 -1.878 18734 1136 1 3 . 1 1 56 56 SER H H 56 7.998 7.998 8.664 -0.666 18734 1137 1 3 . 1 1 57 57 ALA N N 57 123.346 123.346 121.946 1.400 18734 1138 1 3 . 1 1 57 57 ALA HA H 57 4.197 4.197 4.522 -0.325 18734 1139 1 3 . 1 1 57 57 ALA CA C 57 49.452 49.452 51.691 -2.239 18734 1140 1 3 . 1 1 57 57 ALA CB C 57 17.341 17.341 20.608 -3.268 18734 1141 1 3 . 1 1 57 57 ALA H H 57 7.770 7.770 7.516 0.254 18734 1142 1 3 . 1 1 58 58 TYR N N 58 118.640 118.640 118.418 0.222 18734 1143 1 3 . 1 1 58 58 TYR HA H 58 4.844 4.844 4.887 -0.043 18734 1144 1 3 . 1 1 58 58 TYR CA C 58 54.841 54.841 57.018 -2.177 18734 1145 1 3 . 1 1 58 58 TYR CB C 58 39.626 39.626 40.822 -1.196 18734 1146 1 3 . 1 1 58 58 TYR H H 58 7.878 7.878 7.993 -0.115 18734 1147 1 3 . 1 1 59 59 SER N N 59 118.841 118.841 120.634 -1.793 18734 1148 1 3 . 1 1 59 59 SER HA H 59 4.584 4.584 4.471 0.113 18734 1149 1 3 . 1 1 59 59 SER CA C 59 54.332 54.332 59.041 -4.709 18734 1150 1 3 . 1 1 59 59 SER CB C 59 62.866 62.866 63.834 -0.968 18734 1151 1 3 . 1 1 59 59 SER H H 59 9.289 9.289 8.684 0.605 18734 1152 1 3 . 1 1 60 60 ALA N N 60 125.034 125.034 121.087 3.947 18734 1153 1 3 . 1 1 60 60 ALA HA H 60 4.726 4.726 4.849 -0.123 18734 1154 1 3 . 1 1 60 60 ALA CB C 60 20.233 20.233 21.364 -1.131 18734 1155 1 3 . 1 1 60 60 ALA H H 60 7.473 7.473 7.810 -0.337 18734 1156 1 3 . 1 1 61 61 GLY N N 61 109.267 109.267 107.131 2.136 18734 1157 1 3 . 1 1 61 61 GLY CA C 61 41.504 41.504 45.729 -4.225 18734 1158 1 3 . 1 1 61 61 GLY H H 61 9.368 9.368 8.547 0.821 18734 1159 1 3 . 1 1 62 62 ASP N N 62 121.898 121.898 119.905 1.993 18734 1160 1 3 . 1 1 62 62 ASP HA H 62 4.673 4.673 4.814 -0.141 18734 1161 1 3 . 1 1 62 62 ASP CB C 62 38.468 38.468 41.786 -3.318 18734 1162 1 3 . 1 1 62 62 ASP H H 62 9.236 9.236 8.342 0.894 18734 1163 1 3 . 1 1 63 63 GLY N N 63 111.438 111.438 109.423 2.015 18734 1164 1 3 . 1 1 63 63 GLY CA C 63 43.099 43.099 44.028 -0.929 18734 1165 1 3 . 1 1 63 63 GLY H H 63 8.774 8.774 8.226 0.548 18734 1166 1 3 . 1 1 64 64 LEU N N 64 125.900 125.900 123.355 2.545 18734 1167 1 3 . 1 1 64 64 LEU HA H 64 4.169 4.169 4.142 0.027 18734 1168 1 3 . 1 1 64 64 LEU CA C 64 56.103 56.103 56.810 -0.707 18734 1169 1 3 . 1 1 64 64 LEU CB C 64 40.431 40.431 42.411 -1.980 18734 1170 1 3 . 1 1 64 64 LEU H H 64 7.483 7.483 7.900 -0.417 18734 1171 1 3 . 1 1 65 65 ARG N N 65 111.696 111.696 113.003 -1.307 18734 1172 1 3 . 1 1 65 65 ARG HA H 65 4.057 4.057 4.653 -0.596 18734 1173 1 3 . 1 1 65 65 ARG CA C 65 51.787 51.787 54.024 -2.237 18734 1174 1 3 . 1 1 65 65 ARG CB C 65 26.474 26.474 29.178 -2.704 18734 1175 1 3 . 1 1 65 65 ARG H H 65 8.071 8.071 7.384 0.687 18734 1176 1 3 . 1 1 66 66 ASP N N 66 120.559 120.559 122.765 -2.206 18734 1177 1 3 . 1 1 66 66 ASP HA H 66 4.121 4.121 4.537 -0.416 18734 1178 1 3 . 1 1 66 66 ASP CA C 66 53.462 53.462 55.798 -2.336 18734 1179 1 3 . 1 1 66 66 ASP CB C 66 37.557 37.557 42.055 -4.498 18734 1180 1 3 . 1 1 66 66 ASP H H 66 7.293 7.293 7.977 -0.684 18734 1181 1 3 . 1 1 67 67 GLY N N 67 110.131 110.131 111.884 -1.753 18734 1182 1 3 . 1 1 67 67 GLY CA C 67 43.985 43.985 45.792 -1.807 18734 1183 1 3 . 1 1 67 67 GLY H H 67 8.695 8.695 8.764 -0.069 18734 1184 1 3 . 1 1 68 68 ALA N N 68 123.462 123.462 121.165 2.297 18734 1185 1 3 . 1 1 68 68 ALA HA H 68 4.385 4.385 4.782 -0.398 18734 1186 1 3 . 1 1 68 68 ALA CA C 68 49.065 49.065 50.921 -1.856 18734 1187 1 3 . 1 1 68 68 ALA CB C 68 19.402 19.402 22.447 -3.045 18734 1188 1 3 . 1 1 68 68 ALA H H 68 8.058 8.058 7.176 0.882 18734 1189 1 3 . 1 1 69 69 ASP N N 69 116.343 116.343 117.376 -1.033 18734 1190 1 3 . 1 1 69 69 ASP HA H 69 4.524 4.524 4.489 0.035 18734 1191 1 3 . 1 1 69 69 ASP CA C 69 51.240 51.240 54.079 -2.839 18734 1192 1 3 . 1 1 69 69 ASP CB C 69 39.076 39.076 42.777 -3.701 18734 1193 1 3 . 1 1 69 69 ASP H H 69 8.721 8.721 8.533 0.188 18734 1194 1 3 . 1 1 70 70 PHE N N 70 113.658 113.658 120.091 -6.433 18734 1195 1 3 . 1 1 70 70 PHE HA H 70 4.648 4.648 4.872 -0.224 18734 1196 1 3 . 1 1 70 70 PHE CA C 70 52.114 52.114 55.580 -3.466 18734 1197 1 3 . 1 1 70 70 PHE CB C 70 38.375 38.375 41.585 -3.210 18734 1198 1 3 . 1 1 70 70 PHE H H 70 5.865 5.865 7.142 -1.277 18734 1199 1 3 . 1 1 71 71 LEU N N 71 119.766 119.766 121.774 -2.008 18734 1200 1 3 . 1 1 71 71 LEU HA H 71 4.915 4.915 4.731 0.184 18734 1201 1 3 . 1 1 71 71 LEU CA C 71 50.797 50.797 53.891 -3.094 18734 1202 1 3 . 1 1 71 71 LEU CB C 71 41.482 41.482 44.243 -2.761 18734 1203 1 3 . 1 1 71 71 LEU H H 71 7.964 7.964 8.533 -0.569 18734 1204 1 3 . 1 1 72 72 ILE N N 72 123.675 123.675 124.816 -1.141 18734 1205 1 3 . 1 1 72 72 ILE HA H 72 4.728 4.728 4.325 0.403 18734 1206 1 3 . 1 1 72 72 ILE CB C 72 36.921 36.921 38.096 -1.175 18734 1207 1 3 . 1 1 72 72 ILE H H 72 9.073 9.073 8.819 0.254 18734 1208 1 3 . 1 1 73 73 CYS N N 73 125.409 125.409 127.101 -1.692 18734 1209 1 3 . 1 1 73 73 CYS HA H 73 5.534 5.534 5.292 0.242 18734 1210 1 3 . 1 1 73 73 CYS CA C 73 54.056 54.056 58.682 -4.626 18734 1211 1 3 . 1 1 73 73 CYS CB C 73 27.753 27.753 27.560 0.193 18734 1212 1 3 . 1 1 73 73 CYS H H 73 9.060 9.060 8.676 0.384 18734 1213 1 3 . 1 1 74 74 VAL N N 74 114.408 114.408 118.461 -4.053 18734 1214 1 3 . 1 1 74 74 VAL HA H 74 4.951 4.951 4.750 0.201 18734 1215 1 3 . 1 1 74 74 VAL CA C 74 54.229 54.229 57.793 -3.564 18734 1216 1 3 . 1 1 74 74 VAL CB C 74 29.675 29.675 34.297 -4.622 18734 1217 1 3 . 1 1 74 74 VAL H H 74 7.938 7.938 8.874 -0.936 18734 1218 1 3 . 1 1 75 75 PRO HA H 75 4.283 4.283 4.501 -0.218 18734 1219 1 3 . 1 1 75 75 PRO CA C 75 60.889 60.889 62.362 -1.474 18734 1220 1 3 . 1 1 75 75 PRO CB C 75 29.499 29.499 32.320 -2.821 18734 1221 1 3 . 1 1 76 76 GLU N N 76 126.159 126.159 123.616 2.543 18734 1222 1 3 . 1 1 76 76 GLU HA H 76 3.664 3.664 3.876 -0.212 18734 1223 1 3 . 1 1 76 76 GLU CA C 76 58.112 58.112 59.565 -1.453 18734 1224 1 3 . 1 1 76 76 GLU CB C 76 26.894 26.894 29.138 -2.244 18734 1225 1 3 . 1 1 76 76 GLU H H 76 9.130 9.130 8.857 0.273 18734 1226 1 3 . 1 1 77 77 GLU N N 77 117.145 117.145 120.087 -2.942 18734 1227 1 3 . 1 1 77 77 GLU HA H 77 4.100 4.100 4.184 -0.084 18734 1228 1 3 . 1 1 77 77 GLU CA C 77 55.734 55.734 57.843 -2.109 18734 1229 1 3 . 1 1 77 77 GLU CB C 77 26.315 26.315 29.367 -3.052 18734 1230 1 3 . 1 1 77 77 GLU H H 77 9.350 9.350 8.694 0.656 18734 1231 1 3 . 1 1 78 78 ALA N N 78 120.398 120.398 119.509 0.889 18734 1232 1 3 . 1 1 78 78 ALA HA H 78 4.699 4.699 4.668 0.031 18734 1233 1 3 . 1 1 78 78 ALA CB C 78 18.962 18.962 19.825 -0.863 18734 1234 1 3 . 1 1 78 78 ALA H H 78 8.044 8.044 7.822 0.222 18734 1235 1 3 . 1 1 79 79 LEU N N 79 122.497 122.497 121.162 1.335 18734 1236 1 3 . 1 1 79 79 LEU HA H 79 3.710 3.710 3.985 -0.275 18734 1237 1 3 . 1 1 79 79 LEU CA C 79 56.837 56.837 57.977 -1.140 18734 1238 1 3 . 1 1 79 79 LEU CB C 79 40.952 40.952 42.077 -1.125 18734 1239 1 3 . 1 1 79 79 LEU H H 79 7.331 7.331 7.403 -0.072 18734 1240 1 3 . 1 1 80 80 ASP N N 80 116.432 116.432 117.559 -1.127 18734 1241 1 3 . 1 1 80 80 ASP HA H 80 4.357 4.357 4.506 -0.149 18734 1242 1 3 . 1 1 80 80 ASP CA C 80 54.751 54.751 56.565 -1.814 18734 1243 1 3 . 1 1 80 80 ASP CB C 80 38.534 38.534 40.683 -2.149 18734 1244 1 3 . 1 1 80 80 ASP H H 80 8.305 8.305 8.550 -0.245 18734 1245 1 3 . 1 1 81 81 ARG N N 81 119.433 119.433 120.881 -1.448 18734 1246 1 3 . 1 1 81 81 ARG HA H 81 3.894 3.894 4.050 -0.156 18734 1247 1 3 . 1 1 81 81 ARG CA C 81 56.473 56.473 59.255 -2.782 18734 1248 1 3 . 1 1 81 81 ARG CB C 81 27.481 27.481 29.948 -2.467 18734 1249 1 3 . 1 1 81 81 ARG H H 81 7.638 7.638 8.196 -0.558 18734 1250 1 3 . 1 1 82 82 TYR N N 82 116.397 116.397 117.261 -0.864 18734 1251 1 3 . 1 1 82 82 TYR HA H 82 3.830 3.830 4.343 -0.513 18734 1252 1 3 . 1 1 82 82 TYR CA C 82 61.170 61.170 61.741 -0.571 18734 1253 1 3 . 1 1 82 82 TYR CB C 82 37.031 37.031 38.112 -1.081 18734 1254 1 3 . 1 1 82 82 TYR H H 82 8.198 8.198 8.262 -0.064 18734 1255 1 3 . 1 1 83 83 ARG N N 83 113.114 113.114 117.980 -4.866 18734 1256 1 3 . 1 1 83 83 ARG HA H 83 3.728 3.728 4.210 -0.482 18734 1257 1 3 . 1 1 83 83 ARG CA C 83 58.115 58.115 59.047 -0.932 18734 1258 1 3 . 1 1 83 83 ARG CB C 83 28.107 28.107 30.042 -1.935 18734 1259 1 3 . 1 1 83 83 ARG H H 83 8.151 8.151 7.653 0.498 18734 1260 1 3 . 1 1 84 84 ARG N N 84 111.791 111.791 116.555 -4.764 18734 1261 1 3 . 1 1 84 84 ARG HA H 84 4.386 4.386 4.372 0.014 18734 1262 1 3 . 1 1 84 84 ARG CA C 84 52.335 52.335 56.631 -4.296 18734 1263 1 3 . 1 1 84 84 ARG CB C 84 27.987 27.987 30.388 -2.401 18734 1264 1 3 . 1 1 84 84 ARG H H 84 7.571 7.571 7.608 -0.037 18734 1265 1 3 . 1 1 85 85 ASP N N 85 123.157 123.157 119.892 3.265 18734 1266 1 3 . 1 1 85 85 ASP HA H 85 4.373 4.373 4.651 -0.278 18734 1267 1 3 . 1 1 85 85 ASP CA C 85 52.852 52.852 54.330 -1.478 18734 1268 1 3 . 1 1 85 85 ASP CB C 85 42.482 42.482 42.578 -0.096 18734 1269 1 3 . 1 1 85 85 ASP H H 85 7.200 7.200 7.568 -0.368 18734 1270 1 3 . 1 1 86 86 TYR N N 86 123.389 123.389 126.150 -2.761 18734 1271 1 3 . 1 1 86 86 TYR HA H 86 4.092 4.092 4.329 -0.237 18734 1272 1 3 . 1 1 86 86 TYR CA C 86 58.674 58.674 61.536 -2.862 18734 1273 1 3 . 1 1 86 86 TYR CB C 86 35.801 35.801 38.999 -3.198 18734 1274 1 3 . 1 1 86 86 TYR H H 86 8.440 8.440 8.935 -0.495 18734 1275 1 3 . 1 1 87 87 PHE N N 87 117.092 117.092 117.903 -0.811 18734 1276 1 3 . 1 1 87 87 PHE HA H 87 4.378 4.378 4.406 -0.028 18734 1277 1 3 . 1 1 87 87 PHE CA C 87 57.433 57.433 60.407 -2.974 18734 1278 1 3 . 1 1 87 87 PHE CB C 87 37.442 37.442 39.835 -2.393 18734 1279 1 3 . 1 1 87 87 PHE H H 87 7.931 7.931 8.485 -0.554 18734 1280 1 3 . 1 1 88 88 TRP N N 88 121.396 121.396 119.130 2.266 18734 1281 1 3 . 1 1 88 88 TRP HA H 88 3.798 3.798 4.624 -0.826 18734 1282 1 3 . 1 1 88 88 TRP CA C 88 59.544 59.544 61.472 -1.928 18734 1283 1 3 . 1 1 88 88 TRP CB C 88 26.293 26.293 29.303 -3.010 18734 1284 1 3 . 1 1 88 88 TRP H H 88 9.757 9.757 9.110 0.647 18734 1285 1 3 . 1 1 89 89 GLN N N 89 117.760 117.760 119.983 -2.223 18734 1286 1 3 . 1 1 89 89 GLN HA H 89 4.393 4.393 3.967 0.425 18734 1287 1 3 . 1 1 89 89 GLN CA C 89 55.882 55.882 59.352 -3.470 18734 1288 1 3 . 1 1 89 89 GLN CB C 89 30.198 30.198 28.107 2.091 18734 1289 1 3 . 1 1 89 89 GLN H H 89 8.490 8.490 8.102 0.388 18734 1290 1 3 . 1 1 90 90 THR N N 90 118.285 118.285 113.601 4.684 18734 1291 1 3 . 1 1 90 90 THR HA H 90 3.686 3.686 4.013 -0.327 18734 1292 1 3 . 1 1 90 90 THR CA C 90 62.770 62.770 64.697 -1.927 18734 1293 1 3 . 1 1 90 90 THR CB C 90 66.664 66.664 68.700 -2.036 18734 1294 1 3 . 1 1 90 90 THR H H 90 7.932 7.932 8.050 -0.118 18734 1295 1 3 . 1 1 91 91 TYR N N 91 118.448 118.448 118.560 -0.112 18734 1296 1 3 . 1 1 91 91 TYR HA H 91 4.975 4.975 5.089 -0.114 18734 1297 1 3 . 1 1 91 91 TYR CA C 91 55.511 55.511 57.484 -1.973 18734 1298 1 3 . 1 1 91 91 TYR CB C 91 37.126 37.126 39.202 -2.076 18734 1299 1 3 . 1 1 91 91 TYR H H 91 8.009 8.009 7.731 0.278 18734 1300 1 3 . 1 1 92 92 ALA N N 92 122.351 122.351 123.188 -0.837 18734 1301 1 3 . 1 1 92 92 ALA HA H 92 3.843 3.843 4.226 -0.383 18734 1302 1 3 . 1 1 92 92 ALA CA C 92 54.108 54.108 53.785 0.323 18734 1303 1 3 . 1 1 92 92 ALA CB C 92 16.505 16.505 18.383 -1.878 18734 1304 1 3 . 1 1 92 92 ALA H H 92 7.665 7.665 8.257 -0.592 18734 1305 1 3 . 1 1 93 93 ALA N N 93 117.548 117.548 120.289 -2.741 18734 1306 1 3 . 1 1 93 93 ALA HA H 93 3.702 3.702 3.873 -0.171 18734 1307 1 3 . 1 1 93 93 ALA CA C 93 51.371 51.371 52.824 -1.453 18734 1308 1 3 . 1 1 93 93 ALA CB C 93 14.292 14.292 18.088 -3.796 18734 1309 1 3 . 1 1 93 93 ALA H H 93 8.275 8.275 8.040 0.235 18734 1310 1 3 . 1 1 94 94 TRP N N 94 115.303 115.303 115.395 -0.092 18734 1311 1 3 . 1 1 94 94 TRP HA H 94 4.669 4.669 4.856 -0.187 18734 1312 1 3 . 1 1 94 94 TRP CB C 94 26.912 26.912 31.002 -4.090 18734 1313 1 3 . 1 1 94 94 TRP H H 94 8.203 8.203 8.060 0.143 18734 1314 1 3 . 1 1 95 95 ILE N N 95 120.680 120.680 121.589 -0.909 18734 1315 1 3 . 1 1 95 95 ILE HA H 95 5.325 5.325 4.583 0.742 18734 1316 1 3 . 1 1 95 95 ILE CA C 95 57.930 57.930 61.489 -3.558 18734 1317 1 3 . 1 1 95 95 ILE CB C 95 36.508 36.508 37.473 -0.965 18734 1318 1 3 . 1 1 95 95 ILE H H 95 7.153 7.153 7.683 -0.530 18734 1319 1 3 . 1 1 96 96 GLN N N 96 128.223 128.223 127.208 1.015 18734 1320 1 3 . 1 1 96 96 GLN HA H 96 4.691 4.691 4.931 -0.240 18734 1321 1 3 . 1 1 96 96 GLN CB C 96 28.885 28.885 29.640 -0.755 18734 1322 1 3 . 1 1 96 96 GLN H H 96 9.189 9.189 8.791 0.398 18734 1323 1 3 . 1 1 97 97 PRO HA H 97 4.833 4.833 4.789 0.044 18734 1324 1 3 . 1 1 97 97 PRO CA C 97 59.122 59.122 62.599 -3.477 18734 1325 1 3 . 1 1 97 97 PRO CB C 97 29.515 29.515 32.632 -3.117 18734 1326 1 3 . 1 1 98 98 MET N N 98 120.815 120.815 119.351 1.464 18734 1327 1 3 . 1 1 98 98 MET HA H 98 4.116 4.116 4.430 -0.314 18734 1328 1 3 . 1 1 98 98 MET CA C 98 52.944 52.944 55.519 -2.575 18734 1329 1 3 . 1 1 98 98 MET CB C 98 30.981 30.981 33.204 -2.223 18734 1330 1 3 . 1 1 98 98 MET H H 98 8.551 8.551 8.308 0.243 18734 1331 1 3 . 1 1 99 99 GLU N N 99 124.677 124.677 119.678 4.999 18734 1332 1 3 . 1 1 99 99 GLU HA H 99 4.220 4.220 4.606 -0.386 18734 1333 1 3 . 1 1 99 99 GLU CA C 99 53.952 53.952 55.624 -1.672 18734 1334 1 3 . 1 1 99 99 GLU CB C 99 27.803 27.803 31.450 -3.647 18734 1335 1 3 . 1 1 99 99 GLU H H 99 8.532 8.532 8.365 0.167 18734 1336 1 4 . 1 1 2 2 SER HA H 2 4.373 4.373 4.279 0.094 18734 1337 1 4 . 1 1 2 2 SER CA C 2 55.756 55.756 57.456 -1.700 18734 1338 1 4 . 1 1 2 2 SER CB C 2 61.143 61.143 63.982 -2.839 18734 1339 1 4 . 1 1 3 3 HIS HA H 3 4.613 4.613 4.355 0.258 18734 1340 1 4 . 1 1 3 3 HIS CA C 3 52.991 52.991 56.076 -3.085 18734 1341 1 4 . 1 1 3 3 HIS CB C 3 26.607 26.607 29.837 -3.230 18734 1342 1 4 . 1 1 4 4 GLU N N 4 122.124 122.124 120.740 1.384 18734 1343 1 4 . 1 1 4 4 GLU HA H 4 4.171 4.171 4.324 -0.153 18734 1344 1 4 . 1 1 4 4 GLU CA C 4 54.441 54.441 56.670 -2.229 18734 1345 1 4 . 1 1 4 4 GLU CB C 4 27.585 27.585 30.302 -2.717 18734 1346 1 4 . 1 1 4 4 GLU H H 4 8.415 8.415 8.447 -0.032 18734 1347 1 4 . 1 1 5 5 GLY N N 5 110.434 110.434 110.715 -0.281 18734 1348 1 4 . 1 1 5 5 GLY CA C 5 42.610 42.610 44.537 -1.927 18734 1349 1 4 . 1 1 5 5 GLY H H 5 8.488 8.488 8.417 0.071 18734 1350 1 4 . 1 1 6 6 GLU N N 6 121.376 121.376 122.129 -0.753 18734 1351 1 4 . 1 1 6 6 GLU HA H 6 4.560 4.560 4.246 0.314 18734 1352 1 4 . 1 1 6 6 GLU CA C 6 51.629 51.629 55.138 -3.509 18734 1353 1 4 . 1 1 6 6 GLU CB C 6 26.998 26.998 30.312 -3.314 18734 1354 1 4 . 1 1 6 6 GLU H H 6 7.954 7.954 8.403 -0.449 18734 1355 1 4 . 1 1 7 7 PRO HA H 7 4.464 4.464 4.377 0.087 18734 1356 1 4 . 1 1 7 7 PRO CA C 7 60.517 60.517 62.847 -2.330 18734 1357 1 4 . 1 1 7 7 PRO CB C 7 29.486 29.486 30.961 -1.475 18734 1358 1 4 . 1 1 8 8 VAL N N 8 120.493 120.493 121.550 -1.057 18734 1359 1 4 . 1 1 8 8 VAL HA H 8 4.387 4.387 4.314 0.073 18734 1360 1 4 . 1 1 8 8 VAL CA C 8 58.483 58.483 60.472 -1.989 18734 1361 1 4 . 1 1 8 8 VAL CB C 8 31.177 31.177 35.852 -4.675 18734 1362 1 4 . 1 1 8 8 VAL H H 8 8.177 8.177 7.407 0.770 18734 1363 1 4 . 1 1 9 9 VAL N N 9 124.516 124.516 126.806 -2.290 18734 1364 1 4 . 1 1 9 9 VAL HA H 9 4.024 4.024 4.304 -0.280 18734 1365 1 4 . 1 1 9 9 VAL CA C 9 60.336 60.336 63.494 -3.158 18734 1366 1 4 . 1 1 9 9 VAL CB C 9 29.995 29.995 32.063 -2.068 18734 1367 1 4 . 1 1 9 9 VAL H H 9 8.246 8.246 8.631 -0.385 18734 1368 1 4 . 1 1 10 10 GLY N N 10 114.968 114.968 116.537 -1.569 18734 1369 1 4 . 1 1 10 10 GLY CA C 10 42.318 42.318 44.963 -2.645 18734 1370 1 4 . 1 1 10 10 GLY H H 10 8.595 8.595 8.621 -0.026 18734 1371 1 4 . 1 1 11 11 MET N N 11 120.532 120.532 120.791 -0.259 18734 1372 1 4 . 1 1 11 11 MET CA C 11 53.802 53.802 58.454 -4.652 18734 1373 1 4 . 1 1 11 11 MET CB C 11 30.698 30.698 31.845 -1.147 18734 1374 1 4 . 1 1 11 11 MET H H 11 8.320 8.320 8.411 -0.091 18734 1375 1 4 . 1 1 12 12 ASP N N 12 120.515 120.515 122.526 -2.011 18734 1376 1 4 . 1 1 12 12 ASP HA H 12 4.637 4.637 4.744 -0.107 18734 1377 1 4 . 1 1 12 12 ASP CB C 12 38.090 38.090 40.672 -2.583 18734 1378 1 4 . 1 1 12 12 ASP H H 12 8.261 8.261 8.202 0.059 18734 1379 1 4 . 1 1 13 13 LYS N N 13 123.685 123.685 126.697 -3.012 18734 1380 1 4 . 1 1 13 13 LYS HA H 13 4.623 4.623 4.551 0.072 18734 1381 1 4 . 1 1 13 13 LYS CA C 13 50.898 50.898 56.954 -6.056 18734 1382 1 4 . 1 1 13 13 LYS CB C 13 30.003 30.003 31.853 -1.850 18734 1383 1 4 . 1 1 13 13 LYS H H 13 8.579 8.579 8.082 0.497 18734 1384 1 4 . 1 1 14 14 SER N N 14 115.048 115.048 117.447 -2.399 18734 1385 1 4 . 1 1 14 14 SER HA H 14 4.447 4.447 4.994 -0.547 18734 1386 1 4 . 1 1 14 14 SER CA C 14 56.917 56.917 58.742 -1.825 18734 1387 1 4 . 1 1 14 14 SER CB C 14 61.536 61.536 63.641 -2.104 18734 1388 1 4 . 1 1 14 14 SER H H 14 8.507 8.507 8.677 -0.170 18734 1389 1 4 . 1 1 15 15 LEU N N 15 119.294 119.294 116.948 2.346 18734 1390 1 4 . 1 1 15 15 LEU HA H 15 3.989 3.989 4.768 -0.779 18734 1391 1 4 . 1 1 15 15 LEU CA C 15 53.219 53.219 55.438 -2.219 18734 1392 1 4 . 1 1 15 15 LEU CB C 15 39.813 39.813 40.740 -0.927 18734 1393 1 4 . 1 1 15 15 LEU H H 15 6.908 6.908 8.239 -1.331 18734 1394 1 4 . 1 1 16 16 PHE N N 16 117.103 117.103 121.559 -4.456 18734 1395 1 4 . 1 1 16 16 PHE HA H 16 4.397 4.397 4.919 -0.522 18734 1396 1 4 . 1 1 16 16 PHE CA C 16 56.719 56.719 58.528 -1.809 18734 1397 1 4 . 1 1 16 16 PHE CB C 16 37.917 37.917 40.325 -2.408 18734 1398 1 4 . 1 1 16 16 PHE H H 16 7.658 7.658 8.243 -0.585 18734 1399 1 4 . 1 1 17 17 ALA N N 17 120.694 120.694 123.433 -2.739 18734 1400 1 4 . 1 1 17 17 ALA HA H 17 3.964 3.964 4.554 -0.590 18734 1401 1 4 . 1 1 17 17 ALA CA C 17 51.840 51.840 52.751 -0.910 18734 1402 1 4 . 1 1 17 17 ALA CB C 17 15.004 15.004 16.906 -1.902 18734 1403 1 4 . 1 1 17 17 ALA H H 17 7.514 7.514 8.193 -0.679 18734 1404 1 4 . 1 1 18 18 GLY N N 18 110.007 110.007 110.734 -0.727 18734 1405 1 4 . 1 1 18 18 GLY CA C 18 43.150 43.150 45.735 -2.585 18734 1406 1 4 . 1 1 18 18 GLY H H 18 8.204 8.204 8.316 -0.112 18734 1407 1 4 . 1 1 19 19 ASN N N 19 119.323 119.323 121.309 -1.986 18734 1408 1 4 . 1 1 19 19 ASN HA H 19 4.733 4.733 5.094 -0.361 18734 1409 1 4 . 1 1 19 19 ASN CB C 19 36.020 36.020 38.861 -2.841 18734 1410 1 4 . 1 1 19 19 ASN H H 19 8.124 8.124 7.873 0.251 18734 1411 1 4 . 1 1 20 20 THR N N 20 116.844 116.844 117.136 -0.292 18734 1412 1 4 . 1 1 20 20 THR HA H 20 4.243 4.243 4.062 0.181 18734 1413 1 4 . 1 1 20 20 THR CA C 20 60.224 60.224 64.049 -3.825 18734 1414 1 4 . 1 1 20 20 THR CB C 20 66.167 66.167 67.932 -1.765 18734 1415 1 4 . 1 1 20 20 THR H H 20 8.400 8.400 8.823 -0.423 18734 1416 1 4 . 1 1 21 21 VAL N N 21 117.661 117.661 118.360 -0.699 18734 1417 1 4 . 1 1 21 21 VAL HA H 21 4.161 4.161 4.194 -0.033 18734 1418 1 4 . 1 1 21 21 VAL CA C 21 59.739 59.739 61.275 -1.536 18734 1419 1 4 . 1 1 21 21 VAL CB C 21 31.224 31.224 32.665 -1.441 18734 1420 1 4 . 1 1 21 21 VAL H H 21 8.412 8.412 7.722 0.690 18734 1421 1 4 . 1 1 22 22 ILE N N 22 120.465 120.465 122.579 -2.114 18734 1422 1 4 . 1 1 22 22 ILE HA H 22 3.873 3.873 4.219 -0.346 18734 1423 1 4 . 1 1 22 22 ILE CA C 22 59.860 59.860 60.744 -0.884 18734 1424 1 4 . 1 1 22 22 ILE CB C 22 37.052 37.052 38.688 -1.636 18734 1425 1 4 . 1 1 22 22 ILE H H 22 7.300 7.300 7.480 -0.180 18734 1426 1 4 . 1 1 23 23 ARG N N 23 122.168 122.168 125.725 -3.557 18734 1427 1 4 . 1 1 23 23 ARG HA H 23 4.940 4.940 4.632 0.308 18734 1428 1 4 . 1 1 23 23 ARG CA C 23 54.175 54.175 57.001 -2.826 18734 1429 1 4 . 1 1 23 23 ARG CB C 23 30.921 30.921 31.380 -0.459 18734 1430 1 4 . 1 1 23 23 ARG H H 23 8.328 8.328 8.591 -0.263 18734 1431 1 4 . 1 1 24 24 GLU N N 24 117.968 117.968 117.063 0.905 18734 1432 1 4 . 1 1 24 24 GLU HA H 24 5.100 5.100 4.990 0.110 18734 1433 1 4 . 1 1 24 24 GLU CA C 24 51.948 51.948 55.525 -3.577 18734 1434 1 4 . 1 1 24 24 GLU CB C 24 30.737 30.737 33.250 -2.513 18734 1435 1 4 . 1 1 24 24 GLU H H 24 7.474 7.474 7.668 -0.194 18734 1436 1 4 . 1 1 25 25 ILE N N 25 121.135 121.135 124.767 -3.632 18734 1437 1 4 . 1 1 25 25 ILE HA H 25 4.205 4.205 4.437 -0.232 18734 1438 1 4 . 1 1 25 25 ILE CA C 25 57.149 57.149 60.551 -3.402 18734 1439 1 4 . 1 1 25 25 ILE CB C 25 39.882 39.882 40.080 -0.198 18734 1440 1 4 . 1 1 25 25 ILE H H 25 7.591 7.591 8.053 -0.462 18734 1441 1 4 . 1 1 26 26 THR N N 26 122.935 122.935 123.509 -0.574 18734 1442 1 4 . 1 1 26 26 THR HA H 26 4.999 4.999 4.526 0.473 18734 1443 1 4 . 1 1 26 26 THR CA C 26 59.185 59.185 62.494 -3.309 18734 1444 1 4 . 1 1 26 26 THR CB C 26 67.259 67.259 68.099 -0.840 18734 1445 1 4 . 1 1 26 26 THR H H 26 8.243 8.243 8.499 -0.256 18734 1446 1 4 . 1 1 27 27 VAL N N 27 124.220 124.220 126.834 -2.614 18734 1447 1 4 . 1 1 27 27 VAL HA H 27 4.421 4.421 4.241 0.180 18734 1448 1 4 . 1 1 27 27 VAL CA C 27 58.144 58.144 61.845 -3.701 18734 1449 1 4 . 1 1 27 27 VAL CB C 27 30.727 30.727 32.658 -1.931 18734 1450 1 4 . 1 1 27 27 VAL H H 27 9.216 9.216 8.790 0.426 18734 1451 1 4 . 1 1 28 28 GLN N N 28 129.280 129.280 120.223 9.057 18734 1452 1 4 . 1 1 28 28 GLN HA H 28 4.702 4.702 5.087 -0.385 18734 1453 1 4 . 1 1 28 28 GLN CB C 28 25.480 25.480 31.064 -5.584 18734 1454 1 4 . 1 1 28 28 GLN H H 28 8.782 8.782 8.582 0.200 18734 1455 1 4 . 1 1 29 29 PRO HA H 29 3.457 3.457 3.254 0.203 18734 1456 1 4 . 1 1 29 29 PRO CA C 29 60.712 60.712 62.347 -1.635 18734 1457 1 4 . 1 1 29 29 PRO CB C 29 30.122 30.122 32.221 -2.099 18734 1458 1 4 . 1 1 30 30 ASN N N 30 113.396 113.396 117.595 -4.199 18734 1459 1 4 . 1 1 30 30 ASN HA H 30 4.329 4.329 4.162 0.167 18734 1460 1 4 . 1 1 30 30 ASN CA C 30 51.999 51.999 54.481 -2.482 18734 1461 1 4 . 1 1 30 30 ASN CB C 30 34.627 34.627 37.159 -2.532 18734 1462 1 4 . 1 1 30 30 ASN H H 30 8.199 8.199 8.536 -0.337 18734 1463 1 4 . 1 1 31 31 ILE N N 31 115.907 115.907 119.092 -3.185 18734 1464 1 4 . 1 1 31 31 ILE HA H 31 4.395 4.395 4.290 0.105 18734 1465 1 4 . 1 1 31 31 ILE CA C 31 57.434 57.434 60.559 -3.125 18734 1466 1 4 . 1 1 31 31 ILE CB C 31 36.859 36.859 38.749 -1.890 18734 1467 1 4 . 1 1 31 31 ILE H H 31 8.201 8.201 7.934 0.267 18734 1468 1 4 . 1 1 32 32 GLY N N 32 111.217 111.217 110.685 0.532 18734 1469 1 4 . 1 1 32 32 GLY CA C 32 41.729 41.729 44.296 -2.567 18734 1470 1 4 . 1 1 32 32 GLY H H 32 7.998 7.998 7.823 0.175 18734 1471 1 4 . 1 1 33 33 LEU N N 33 120.007 120.007 122.652 -2.645 18734 1472 1 4 . 1 1 33 33 LEU HA H 33 3.880 3.880 4.365 -0.485 18734 1473 1 4 . 1 1 33 33 LEU CA C 33 53.595 53.595 55.506 -1.911 18734 1474 1 4 . 1 1 33 33 LEU CB C 33 40.528 40.528 42.749 -2.221 18734 1475 1 4 . 1 1 33 33 LEU H H 33 7.820 7.820 8.306 -0.486 18734 1476 1 4 . 1 1 34 34 LEU N N 34 128.106 128.106 127.607 0.499 18734 1477 1 4 . 1 1 34 34 LEU HA H 34 4.485 4.485 4.370 0.115 18734 1478 1 4 . 1 1 34 34 LEU CA C 34 51.078 51.078 53.520 -2.442 18734 1479 1 4 . 1 1 34 34 LEU CB C 34 37.447 37.447 40.149 -2.702 18734 1480 1 4 . 1 1 34 34 LEU H H 34 8.551 8.551 8.506 0.045 18734 1481 1 4 . 1 1 35 35 TYR N N 35 121.473 121.473 120.844 0.629 18734 1482 1 4 . 1 1 35 35 TYR HA H 35 4.240 4.240 4.305 -0.065 18734 1483 1 4 . 1 1 35 35 TYR CA C 35 53.814 53.814 55.952 -2.138 18734 1484 1 4 . 1 1 35 35 TYR CB C 35 36.868 36.868 38.977 -2.109 18734 1485 1 4 . 1 1 35 35 TYR H H 35 6.363 6.363 7.645 -1.282 18734 1486 1 4 . 1 1 36 36 ASP N N 36 119.590 119.590 122.228 -2.638 18734 1487 1 4 . 1 1 36 36 ASP HA H 36 3.980 3.980 4.501 -0.521 18734 1488 1 4 . 1 1 36 36 ASP CA C 36 52.760 52.760 55.314 -2.554 18734 1489 1 4 . 1 1 36 36 ASP CB C 36 37.119 37.119 40.530 -3.411 18734 1490 1 4 . 1 1 36 36 ASP H H 36 8.573 8.573 8.488 0.085 18734 1491 1 4 . 1 1 37 37 GLY N N 37 108.636 108.636 115.058 -6.422 18734 1492 1 4 . 1 1 37 37 GLY CA C 37 44.335 44.335 44.785 -0.450 18734 1493 1 4 . 1 1 37 37 GLY H H 37 7.903 7.903 8.558 -0.655 18734 1494 1 4 . 1 1 38 38 MET N N 38 120.339 120.339 119.662 0.677 18734 1495 1 4 . 1 1 38 38 MET HA H 38 3.631 3.631 3.583 0.048 18734 1496 1 4 . 1 1 38 38 MET CA C 38 56.101 56.101 58.188 -2.087 18734 1497 1 4 . 1 1 38 38 MET CB C 38 29.166 29.166 31.236 -2.070 18734 1498 1 4 . 1 1 38 38 MET H H 38 7.873 7.873 7.138 0.735 18734 1499 1 4 . 1 1 39 39 PHE N N 39 115.430 115.430 111.420 4.010 18734 1500 1 4 . 1 1 39 39 PHE HA H 39 4.908 4.908 4.897 0.011 18734 1501 1 4 . 1 1 39 39 PHE CA C 39 52.898 52.898 55.226 -2.328 18734 1502 1 4 . 1 1 39 39 PHE CB C 39 36.647 36.647 37.900 -1.252 18734 1503 1 4 . 1 1 39 39 PHE H H 39 8.504 8.504 7.493 1.011 18734 1504 1 4 . 1 1 40 40 SER N N 40 113.647 113.647 117.023 -3.376 18734 1505 1 4 . 1 1 40 40 SER HA H 40 4.238 4.238 4.317 -0.079 18734 1506 1 4 . 1 1 40 40 SER CA C 40 56.954 56.954 60.297 -3.343 18734 1507 1 4 . 1 1 40 40 SER CB C 40 60.458 60.458 63.412 -2.954 18734 1508 1 4 . 1 1 40 40 SER H H 40 7.264 7.264 7.400 -0.136 18734 1509 1 4 . 1 1 41 41 GLY N N 41 115.225 115.225 114.303 0.922 18734 1510 1 4 . 1 1 41 41 GLY CA C 41 42.941 42.941 45.543 -2.602 18734 1511 1 4 . 1 1 41 41 GLY H H 41 9.110 9.110 8.677 0.433 18734 1512 1 4 . 1 1 42 42 CYS N N 42 120.385 120.385 122.162 -1.777 18734 1513 1 4 . 1 1 42 42 CYS HA H 42 4.761 4.761 4.635 0.126 18734 1514 1 4 . 1 1 42 42 CYS CB C 42 23.867 23.867 25.079 -1.212 18734 1515 1 4 . 1 1 42 42 CYS H H 42 7.929 7.929 8.060 -0.131 18734 1516 1 4 . 1 1 43 43 THR N N 43 113.920 113.920 115.564 -1.644 18734 1517 1 4 . 1 1 43 43 THR HA H 43 3.863 3.863 4.163 -0.300 18734 1518 1 4 . 1 1 43 43 THR CA C 43 61.663 61.663 64.548 -2.885 18734 1519 1 4 . 1 1 43 43 THR CB C 43 66.027 66.027 68.676 -2.649 18734 1520 1 4 . 1 1 43 43 THR H H 43 7.495 7.495 7.942 -0.447 18734 1521 1 4 . 1 1 44 44 ALA N N 44 123.479 123.479 122.007 1.472 18734 1522 1 4 . 1 1 44 44 ALA HA H 44 4.477 4.477 4.485 -0.008 18734 1523 1 4 . 1 1 44 44 ALA CA C 44 48.198 48.198 51.430 -3.232 18734 1524 1 4 . 1 1 44 44 ALA CB C 44 17.096 17.096 19.422 -2.326 18734 1525 1 4 . 1 1 44 44 ALA H H 44 8.551 8.551 8.045 0.506 18734 1526 1 4 . 1 1 45 45 LEU N N 45 121.070 121.070 121.528 -0.458 18734 1527 1 4 . 1 1 45 45 LEU HA H 45 3.981 3.981 4.369 -0.388 18734 1528 1 4 . 1 1 45 45 LEU CA C 45 53.838 53.838 55.342 -1.504 18734 1529 1 4 . 1 1 45 45 LEU CB C 45 40.243 40.243 41.595 -1.352 18734 1530 1 4 . 1 1 45 45 LEU H H 45 6.819 6.819 7.778 -0.959 18734 1531 1 4 . 1 1 46 46 GLU N N 46 128.627 128.627 124.450 4.177 18734 1532 1 4 . 1 1 46 46 GLU HA H 46 4.511 4.511 4.654 -0.143 18734 1533 1 4 . 1 1 46 46 GLU CA C 46 54.357 54.357 56.131 -1.774 18734 1534 1 4 . 1 1 46 46 GLU CB C 46 29.883 29.883 31.887 -2.004 18734 1535 1 4 . 1 1 46 46 GLU H H 46 9.401 9.401 8.085 1.316 18734 1536 1 4 . 1 1 47 47 LYS N N 47 116.297 116.297 119.312 -3.015 18734 1537 1 4 . 1 1 47 47 LYS HA H 47 5.128 5.128 5.022 0.106 18734 1538 1 4 . 1 1 47 47 LYS CA C 47 52.808 52.808 54.777 -1.969 18734 1539 1 4 . 1 1 47 47 LYS CB C 47 35.325 35.325 36.677 -1.352 18734 1540 1 4 . 1 1 47 47 LYS H H 47 7.171 7.171 7.665 -0.494 18734 1541 1 4 . 1 1 48 48 LEU N N 48 125.474 125.474 124.151 1.323 18734 1542 1 4 . 1 1 48 48 LEU HA H 48 4.403 4.403 4.915 -0.512 18734 1543 1 4 . 1 1 48 48 LEU CA C 48 50.489 50.489 54.174 -3.685 18734 1544 1 4 . 1 1 48 48 LEU CB C 48 41.991 41.991 46.352 -4.361 18734 1545 1 4 . 1 1 48 48 LEU H H 48 8.715 8.715 8.773 -0.058 18734 1546 1 4 . 1 1 49 49 ILE N N 49 127.246 127.246 122.891 4.355 18734 1547 1 4 . 1 1 49 49 ILE HA H 49 4.145 4.145 4.740 -0.595 18734 1548 1 4 . 1 1 49 49 ILE CA C 49 58.314 58.314 59.960 -1.646 18734 1549 1 4 . 1 1 49 49 ILE CB C 49 36.125 36.125 42.699 -6.574 18734 1550 1 4 . 1 1 49 49 ILE H H 49 9.131 9.131 8.952 0.179 18734 1551 1 4 . 1 1 50 50 LEU N N 50 128.685 128.685 123.864 4.821 18734 1552 1 4 . 1 1 50 50 LEU HA H 50 4.417 4.417 5.141 -0.724 18734 1553 1 4 . 1 1 50 50 LEU CA C 50 50.414 50.414 54.004 -3.590 18734 1554 1 4 . 1 1 50 50 LEU CB C 50 36.390 36.390 44.185 -7.795 18734 1555 1 4 . 1 1 50 50 LEU H H 50 8.553 8.553 8.587 -0.034 18734 1556 1 4 . 1 1 51 51 THR N N 51 109.751 109.751 116.121 -6.370 18734 1557 1 4 . 1 1 51 51 THR HA H 51 3.935 3.935 4.437 -0.502 18734 1558 1 4 . 1 1 51 51 THR CA C 51 60.194 60.194 61.795 -1.601 18734 1559 1 4 . 1 1 51 51 THR CB C 51 66.107 66.107 67.369 -1.262 18734 1560 1 4 . 1 1 51 51 THR H H 51 6.964 6.964 8.929 -1.965 18734 1561 1 4 . 1 1 52 52 GLY N N 52 108.656 108.656 109.941 -1.285 18734 1562 1 4 . 1 1 52 52 GLY CA C 52 42.432 42.432 45.098 -2.666 18734 1563 1 4 . 1 1 52 52 GLY H H 52 8.409 8.409 7.689 0.720 18734 1564 1 4 . 1 1 53 53 GLU N N 53 119.733 119.733 122.736 -3.003 18734 1565 1 4 . 1 1 53 53 GLU HA H 53 4.061 4.061 4.393 -0.332 18734 1566 1 4 . 1 1 53 53 GLU CA C 53 54.296 54.296 56.712 -2.416 18734 1567 1 4 . 1 1 53 53 GLU CB C 53 27.425 27.425 30.107 -2.682 18734 1568 1 4 . 1 1 53 53 GLU H H 53 8.741 8.741 8.888 -0.147 18734 1569 1 4 . 1 1 54 54 ASP N N 54 118.231 118.231 116.473 1.758 18734 1570 1 4 . 1 1 54 54 ASP HA H 54 5.035 5.035 4.968 0.067 18734 1571 1 4 . 1 1 54 54 ASP CA C 54 46.882 46.882 51.030 -4.148 18734 1572 1 4 . 1 1 54 54 ASP CB C 54 39.822 39.822 43.875 -4.053 18734 1573 1 4 . 1 1 54 54 ASP H H 54 8.309 8.309 8.036 0.273 18734 1574 1 4 . 1 1 55 55 PRO HA H 55 3.920 3.920 3.213 0.707 18734 1575 1 4 . 1 1 55 55 PRO CA C 55 61.140 61.140 63.991 -2.851 18734 1576 1 4 . 1 1 55 55 PRO CB C 55 30.606 30.606 31.752 -1.146 18734 1577 1 4 . 1 1 56 56 SER N N 56 108.966 108.966 114.763 -5.797 18734 1578 1 4 . 1 1 56 56 SER HA H 56 4.494 4.494 4.229 0.265 18734 1579 1 4 . 1 1 56 56 SER CA C 56 57.752 57.752 60.711 -2.959 18734 1580 1 4 . 1 1 56 56 SER CB C 56 60.574 60.574 62.495 -1.921 18734 1581 1 4 . 1 1 56 56 SER H H 56 7.998 7.998 8.328 -0.330 18734 1582 1 4 . 1 1 57 57 ALA N N 57 123.346 123.346 123.392 -0.046 18734 1583 1 4 . 1 1 57 57 ALA HA H 57 4.197 4.197 4.294 -0.097 18734 1584 1 4 . 1 1 57 57 ALA CA C 57 49.452 49.452 53.023 -3.571 18734 1585 1 4 . 1 1 57 57 ALA CB C 57 17.341 17.341 19.196 -1.855 18734 1586 1 4 . 1 1 57 57 ALA H H 57 7.770 7.770 7.395 0.375 18734 1587 1 4 . 1 1 58 58 TYR N N 58 118.640 118.640 116.072 2.568 18734 1588 1 4 . 1 1 58 58 TYR HA H 58 4.844 4.844 4.825 0.019 18734 1589 1 4 . 1 1 58 58 TYR CA C 58 54.841 54.841 57.770 -2.929 18734 1590 1 4 . 1 1 58 58 TYR CB C 58 39.626 39.626 42.125 -2.499 18734 1591 1 4 . 1 1 58 58 TYR H H 58 7.878 7.878 7.549 0.329 18734 1592 1 4 . 1 1 59 59 SER N N 59 118.841 118.841 114.674 4.167 18734 1593 1 4 . 1 1 59 59 SER HA H 59 4.584 4.584 4.839 -0.255 18734 1594 1 4 . 1 1 59 59 SER CA C 59 54.332 54.332 57.221 -2.889 18734 1595 1 4 . 1 1 59 59 SER CB C 59 62.866 62.866 65.073 -2.207 18734 1596 1 4 . 1 1 59 59 SER H H 59 9.289 9.289 8.638 0.651 18734 1597 1 4 . 1 1 60 60 ALA N N 60 125.034 125.034 121.457 3.577 18734 1598 1 4 . 1 1 60 60 ALA HA H 60 4.726 4.726 4.741 -0.015 18734 1599 1 4 . 1 1 60 60 ALA CB C 60 20.233 20.233 20.748 -0.515 18734 1600 1 4 . 1 1 60 60 ALA H H 60 7.473 7.473 8.065 -0.592 18734 1601 1 4 . 1 1 61 61 GLY N N 61 109.267 109.267 107.979 1.288 18734 1602 1 4 . 1 1 61 61 GLY CA C 61 41.504 41.504 44.375 -2.871 18734 1603 1 4 . 1 1 61 61 GLY H H 61 9.368 9.368 8.476 0.892 18734 1604 1 4 . 1 1 62 62 ASP N N 62 121.898 121.898 119.758 2.140 18734 1605 1 4 . 1 1 62 62 ASP HA H 62 4.673 4.673 4.542 0.131 18734 1606 1 4 . 1 1 62 62 ASP CB C 62 38.468 38.468 41.019 -2.551 18734 1607 1 4 . 1 1 62 62 ASP H H 62 9.236 9.236 8.494 0.742 18734 1608 1 4 . 1 1 63 63 GLY N N 63 111.438 111.438 107.312 4.126 18734 1609 1 4 . 1 1 63 63 GLY CA C 63 43.099 43.099 44.322 -1.223 18734 1610 1 4 . 1 1 63 63 GLY H H 63 8.774 8.774 7.974 0.800 18734 1611 1 4 . 1 1 64 64 LEU N N 64 125.900 125.900 121.966 3.934 18734 1612 1 4 . 1 1 64 64 LEU HA H 64 4.169 4.169 4.035 0.134 18734 1613 1 4 . 1 1 64 64 LEU CA C 64 56.103 56.103 56.943 -0.840 18734 1614 1 4 . 1 1 64 64 LEU CB C 64 40.431 40.431 42.282 -1.851 18734 1615 1 4 . 1 1 64 64 LEU H H 64 7.483 7.483 7.686 -0.203 18734 1616 1 4 . 1 1 65 65 ARG N N 65 111.696 111.696 113.440 -1.744 18734 1617 1 4 . 1 1 65 65 ARG HA H 65 4.057 4.057 4.605 -0.548 18734 1618 1 4 . 1 1 65 65 ARG CA C 65 51.787 51.787 54.049 -2.262 18734 1619 1 4 . 1 1 65 65 ARG CB C 65 26.474 26.474 29.537 -3.063 18734 1620 1 4 . 1 1 65 65 ARG H H 65 8.071 8.071 7.775 0.296 18734 1621 1 4 . 1 1 66 66 ASP N N 66 120.559 120.559 122.671 -2.112 18734 1622 1 4 . 1 1 66 66 ASP HA H 66 4.121 4.121 4.357 -0.236 18734 1623 1 4 . 1 1 66 66 ASP CA C 66 53.462 53.462 56.320 -2.858 18734 1624 1 4 . 1 1 66 66 ASP CB C 66 37.557 37.557 41.485 -3.928 18734 1625 1 4 . 1 1 66 66 ASP H H 66 7.293 7.293 7.837 -0.544 18734 1626 1 4 . 1 1 67 67 GLY N N 67 110.131 110.131 112.897 -2.766 18734 1627 1 4 . 1 1 67 67 GLY CA C 67 43.985 43.985 45.537 -1.552 18734 1628 1 4 . 1 1 67 67 GLY H H 67 8.695 8.695 8.569 0.126 18734 1629 1 4 . 1 1 68 68 ALA N N 68 123.462 123.462 123.412 0.050 18734 1630 1 4 . 1 1 68 68 ALA HA H 68 4.385 4.385 5.046 -0.661 18734 1631 1 4 . 1 1 68 68 ALA CA C 68 49.065 49.065 51.103 -2.038 18734 1632 1 4 . 1 1 68 68 ALA CB C 68 19.402 19.402 21.795 -2.393 18734 1633 1 4 . 1 1 68 68 ALA H H 68 8.058 8.058 7.920 0.138 18734 1634 1 4 . 1 1 69 69 ASP N N 69 116.343 116.343 117.424 -1.081 18734 1635 1 4 . 1 1 69 69 ASP HA H 69 4.524 4.524 4.435 0.089 18734 1636 1 4 . 1 1 69 69 ASP CA C 69 51.240 51.240 54.137 -2.897 18734 1637 1 4 . 1 1 69 69 ASP CB C 69 39.076 39.076 43.123 -4.047 18734 1638 1 4 . 1 1 69 69 ASP H H 69 8.721 8.721 8.570 0.151 18734 1639 1 4 . 1 1 70 70 PHE N N 70 113.658 113.658 120.264 -6.606 18734 1640 1 4 . 1 1 70 70 PHE HA H 70 4.648 4.648 4.857 -0.209 18734 1641 1 4 . 1 1 70 70 PHE CA C 70 52.114 52.114 55.505 -3.391 18734 1642 1 4 . 1 1 70 70 PHE CB C 70 38.375 38.375 40.866 -2.491 18734 1643 1 4 . 1 1 70 70 PHE H H 70 5.865 5.865 7.222 -1.357 18734 1644 1 4 . 1 1 71 71 LEU N N 71 119.766 119.766 121.713 -1.947 18734 1645 1 4 . 1 1 71 71 LEU HA H 71 4.915 4.915 4.831 0.084 18734 1646 1 4 . 1 1 71 71 LEU CA C 71 50.797 50.797 54.336 -3.539 18734 1647 1 4 . 1 1 71 71 LEU CB C 71 41.482 41.482 44.607 -3.125 18734 1648 1 4 . 1 1 71 71 LEU H H 71 7.964 7.964 8.443 -0.479 18734 1649 1 4 . 1 1 72 72 ILE N N 72 123.675 123.675 123.170 0.505 18734 1650 1 4 . 1 1 72 72 ILE HA H 72 4.728 4.728 4.818 -0.090 18734 1651 1 4 . 1 1 72 72 ILE CB C 72 36.921 36.921 40.594 -3.674 18734 1652 1 4 . 1 1 72 72 ILE H H 72 9.073 9.073 8.699 0.374 18734 1653 1 4 . 1 1 73 73 CYS N N 73 125.409 125.409 124.355 1.054 18734 1654 1 4 . 1 1 73 73 CYS HA H 73 5.534 5.534 5.606 -0.072 18734 1655 1 4 . 1 1 73 73 CYS CA C 73 54.056 54.056 57.314 -3.258 18734 1656 1 4 . 1 1 73 73 CYS CB C 73 27.753 27.753 30.886 -3.133 18734 1657 1 4 . 1 1 73 73 CYS H H 73 9.060 9.060 8.454 0.606 18734 1658 1 4 . 1 1 74 74 VAL N N 74 114.408 114.408 117.285 -2.877 18734 1659 1 4 . 1 1 74 74 VAL HA H 74 4.951 4.951 4.754 0.197 18734 1660 1 4 . 1 1 74 74 VAL CA C 74 54.229 54.229 57.571 -3.341 18734 1661 1 4 . 1 1 74 74 VAL CB C 74 29.675 29.675 33.595 -3.920 18734 1662 1 4 . 1 1 74 74 VAL H H 74 7.938 7.938 8.566 -0.628 18734 1663 1 4 . 1 1 75 75 PRO HA H 75 4.283 4.283 4.621 -0.338 18734 1664 1 4 . 1 1 75 75 PRO CA C 75 60.889 60.889 62.690 -1.801 18734 1665 1 4 . 1 1 75 75 PRO CB C 75 29.499 29.499 32.555 -3.056 18734 1666 1 4 . 1 1 76 76 GLU N N 76 126.159 126.159 123.477 2.682 18734 1667 1 4 . 1 1 76 76 GLU HA H 76 3.664 3.664 3.842 -0.178 18734 1668 1 4 . 1 1 76 76 GLU CA C 76 58.112 58.112 59.691 -1.579 18734 1669 1 4 . 1 1 76 76 GLU CB C 76 26.894 26.894 28.634 -1.740 18734 1670 1 4 . 1 1 76 76 GLU H H 76 9.130 9.130 8.897 0.233 18734 1671 1 4 . 1 1 77 77 GLU N N 77 117.145 117.145 119.313 -2.168 18734 1672 1 4 . 1 1 77 77 GLU HA H 77 4.100 4.100 4.114 -0.014 18734 1673 1 4 . 1 1 77 77 GLU CA C 77 55.734 55.734 58.339 -2.605 18734 1674 1 4 . 1 1 77 77 GLU CB C 77 26.315 26.315 29.294 -2.979 18734 1675 1 4 . 1 1 77 77 GLU H H 77 9.350 9.350 8.703 0.647 18734 1676 1 4 . 1 1 78 78 ALA N N 78 120.398 120.398 119.514 0.884 18734 1677 1 4 . 1 1 78 78 ALA HA H 78 4.699 4.699 4.551 0.148 18734 1678 1 4 . 1 1 78 78 ALA CB C 78 18.962 18.962 19.281 -0.319 18734 1679 1 4 . 1 1 78 78 ALA H H 78 8.044 8.044 7.844 0.200 18734 1680 1 4 . 1 1 79 79 LEU N N 79 122.497 122.497 121.878 0.619 18734 1681 1 4 . 1 1 79 79 LEU HA H 79 3.710 3.710 3.868 -0.158 18734 1682 1 4 . 1 1 79 79 LEU CA C 79 56.837 56.837 58.511 -1.674 18734 1683 1 4 . 1 1 79 79 LEU CB C 79 40.952 40.952 41.837 -0.885 18734 1684 1 4 . 1 1 79 79 LEU H H 79 7.331 7.331 7.585 -0.254 18734 1685 1 4 . 1 1 80 80 ASP N N 80 116.432 116.432 117.663 -1.231 18734 1686 1 4 . 1 1 80 80 ASP HA H 80 4.357 4.357 4.372 -0.015 18734 1687 1 4 . 1 1 80 80 ASP CA C 80 54.751 54.751 57.764 -3.013 18734 1688 1 4 . 1 1 80 80 ASP CB C 80 38.534 38.534 40.663 -2.129 18734 1689 1 4 . 1 1 80 80 ASP H H 80 8.305 8.305 8.613 -0.308 18734 1690 1 4 . 1 1 81 81 ARG N N 81 119.433 119.433 119.792 -0.359 18734 1691 1 4 . 1 1 81 81 ARG HA H 81 3.894 3.894 4.092 -0.198 18734 1692 1 4 . 1 1 81 81 ARG CA C 81 56.473 56.473 59.486 -3.013 18734 1693 1 4 . 1 1 81 81 ARG CB C 81 27.481 27.481 30.188 -2.707 18734 1694 1 4 . 1 1 81 81 ARG H H 81 7.638 7.638 7.942 -0.304 18734 1695 1 4 . 1 1 82 82 TYR N N 82 116.397 116.397 118.170 -1.773 18734 1696 1 4 . 1 1 82 82 TYR HA H 82 3.830 3.830 4.221 -0.391 18734 1697 1 4 . 1 1 82 82 TYR CA C 82 61.170 61.170 61.733 -0.563 18734 1698 1 4 . 1 1 82 82 TYR CB C 82 37.031 37.031 38.169 -1.138 18734 1699 1 4 . 1 1 82 82 TYR H H 82 8.198 8.198 8.691 -0.493 18734 1700 1 4 . 1 1 83 83 ARG N N 83 113.114 113.114 117.187 -4.073 18734 1701 1 4 . 1 1 83 83 ARG HA H 83 3.728 3.728 4.217 -0.489 18734 1702 1 4 . 1 1 83 83 ARG CA C 83 58.115 58.115 58.909 -0.794 18734 1703 1 4 . 1 1 83 83 ARG CB C 83 28.107 28.107 30.121 -2.014 18734 1704 1 4 . 1 1 83 83 ARG H H 83 8.151 8.151 7.761 0.390 18734 1705 1 4 . 1 1 84 84 ARG N N 84 111.791 111.791 116.267 -4.476 18734 1706 1 4 . 1 1 84 84 ARG HA H 84 4.386 4.386 4.475 -0.089 18734 1707 1 4 . 1 1 84 84 ARG CA C 84 52.335 52.335 55.926 -3.591 18734 1708 1 4 . 1 1 84 84 ARG CB C 84 27.987 27.987 30.494 -2.506 18734 1709 1 4 . 1 1 84 84 ARG H H 84 7.571 7.571 7.555 0.016 18734 1710 1 4 . 1 1 85 85 ASP N N 85 123.157 123.157 119.966 3.191 18734 1711 1 4 . 1 1 85 85 ASP HA H 85 4.373 4.373 4.591 -0.218 18734 1712 1 4 . 1 1 85 85 ASP CA C 85 52.852 52.852 54.868 -2.016 18734 1713 1 4 . 1 1 85 85 ASP CB C 85 42.482 42.482 42.130 0.352 18734 1714 1 4 . 1 1 85 85 ASP H H 85 7.200 7.200 7.573 -0.373 18734 1715 1 4 . 1 1 86 86 TYR N N 86 123.389 123.389 120.004 3.385 18734 1716 1 4 . 1 1 86 86 TYR HA H 86 4.092 4.092 4.500 -0.408 18734 1717 1 4 . 1 1 86 86 TYR CA C 86 58.674 58.674 59.958 -1.284 18734 1718 1 4 . 1 1 86 86 TYR CB C 86 35.801 35.801 39.557 -3.756 18734 1719 1 4 . 1 1 86 86 TYR H H 86 8.440 8.440 8.563 -0.123 18734 1720 1 4 . 1 1 87 87 PHE N N 87 117.092 117.092 120.610 -3.518 18734 1721 1 4 . 1 1 87 87 PHE HA H 87 4.378 4.378 4.613 -0.235 18734 1722 1 4 . 1 1 87 87 PHE CA C 87 57.433 57.433 59.144 -1.711 18734 1723 1 4 . 1 1 87 87 PHE CB C 87 37.442 37.442 40.446 -3.004 18734 1724 1 4 . 1 1 87 87 PHE H H 87 7.931 7.931 9.176 -1.245 18734 1725 1 4 . 1 1 88 88 TRP N N 88 121.396 121.396 119.632 1.764 18734 1726 1 4 . 1 1 88 88 TRP HA H 88 3.798 3.798 4.277 -0.479 18734 1727 1 4 . 1 1 88 88 TRP CA C 88 59.544 59.544 60.590 -1.046 18734 1728 1 4 . 1 1 88 88 TRP CB C 88 26.293 26.293 29.308 -3.015 18734 1729 1 4 . 1 1 88 88 TRP H H 88 9.757 9.757 8.873 0.884 18734 1730 1 4 . 1 1 89 89 GLN N N 89 117.760 117.760 116.853 0.907 18734 1731 1 4 . 1 1 89 89 GLN HA H 89 4.393 4.393 4.023 0.370 18734 1732 1 4 . 1 1 89 89 GLN CA C 89 55.882 55.882 58.736 -2.854 18734 1733 1 4 . 1 1 89 89 GLN CB C 89 30.198 30.198 28.650 1.548 18734 1734 1 4 . 1 1 89 89 GLN H H 89 8.490 8.490 8.378 0.112 18734 1735 1 4 . 1 1 90 90 THR N N 90 118.285 118.285 114.964 3.321 18734 1736 1 4 . 1 1 90 90 THR HA H 90 3.686 3.686 3.992 -0.306 18734 1737 1 4 . 1 1 90 90 THR CA C 90 62.770 62.770 65.648 -2.878 18734 1738 1 4 . 1 1 90 90 THR CB C 90 66.664 66.664 68.283 -1.619 18734 1739 1 4 . 1 1 90 90 THR H H 90 7.932 7.932 7.791 0.141 18734 1740 1 4 . 1 1 91 91 TYR N N 91 118.448 118.448 120.243 -1.795 18734 1741 1 4 . 1 1 91 91 TYR HA H 91 4.975 4.975 4.703 0.272 18734 1742 1 4 . 1 1 91 91 TYR CA C 91 55.511 55.511 58.737 -3.226 18734 1743 1 4 . 1 1 91 91 TYR CB C 91 37.126 37.126 36.673 0.453 18734 1744 1 4 . 1 1 91 91 TYR H H 91 8.009 8.009 8.184 -0.175 18734 1745 1 4 . 1 1 92 92 ALA N N 92 122.351 122.351 123.248 -0.897 18734 1746 1 4 . 1 1 92 92 ALA HA H 92 3.843 3.843 4.178 -0.335 18734 1747 1 4 . 1 1 92 92 ALA CA C 92 54.108 54.108 54.472 -0.364 18734 1748 1 4 . 1 1 92 92 ALA CB C 92 16.505 16.505 18.038 -1.534 18734 1749 1 4 . 1 1 92 92 ALA H H 92 7.665 7.665 7.631 0.034 18734 1750 1 4 . 1 1 93 93 ALA N N 93 117.548 117.548 120.326 -2.778 18734 1751 1 4 . 1 1 93 93 ALA HA H 93 3.702 3.702 3.887 -0.185 18734 1752 1 4 . 1 1 93 93 ALA CA C 93 51.371 51.371 53.363 -1.992 18734 1753 1 4 . 1 1 93 93 ALA CB C 93 14.292 14.292 17.905 -3.613 18734 1754 1 4 . 1 1 93 93 ALA H H 93 8.275 8.275 7.993 0.282 18734 1755 1 4 . 1 1 94 94 TRP N N 94 115.303 115.303 114.612 0.691 18734 1756 1 4 . 1 1 94 94 TRP HA H 94 4.669 4.669 4.963 -0.294 18734 1757 1 4 . 1 1 94 94 TRP CB C 94 26.912 26.912 30.819 -3.907 18734 1758 1 4 . 1 1 94 94 TRP H H 94 8.203 8.203 7.843 0.360 18734 1759 1 4 . 1 1 95 95 ILE N N 95 120.680 120.680 122.183 -1.503 18734 1760 1 4 . 1 1 95 95 ILE HA H 95 5.325 5.325 4.182 1.143 18734 1761 1 4 . 1 1 95 95 ILE CA C 95 57.930 57.930 61.202 -3.272 18734 1762 1 4 . 1 1 95 95 ILE CB C 95 36.508 36.508 36.753 -0.245 18734 1763 1 4 . 1 1 95 95 ILE H H 95 7.153 7.153 7.672 -0.519 18734 1764 1 4 . 1 1 96 96 GLN N N 96 128.223 128.223 126.359 1.864 18734 1765 1 4 . 1 1 96 96 GLN HA H 96 4.691 4.691 4.997 -0.306 18734 1766 1 4 . 1 1 96 96 GLN CB C 96 28.885 28.885 29.333 -0.448 18734 1767 1 4 . 1 1 96 96 GLN H H 96 9.189 9.189 8.189 1.000 18734 1768 1 4 . 1 1 97 97 PRO HA H 97 4.833 4.833 4.880 -0.047 18734 1769 1 4 . 1 1 97 97 PRO CA C 97 59.122 59.122 62.275 -3.153 18734 1770 1 4 . 1 1 97 97 PRO CB C 97 29.515 29.515 32.827 -3.312 18734 1771 1 4 . 1 1 98 98 MET N N 98 120.815 120.815 118.937 1.878 18734 1772 1 4 . 1 1 98 98 MET HA H 98 4.116 4.116 4.489 -0.373 18734 1773 1 4 . 1 1 98 98 MET CA C 98 52.944 52.944 55.495 -2.551 18734 1774 1 4 . 1 1 98 98 MET CB C 98 30.981 30.981 33.201 -2.220 18734 1775 1 4 . 1 1 98 98 MET H H 98 8.551 8.551 8.024 0.527 18734 1776 1 4 . 1 1 99 99 GLU N N 99 124.677 124.677 120.642 4.035 18734 1777 1 4 . 1 1 99 99 GLU HA H 99 4.220 4.220 4.498 -0.278 18734 1778 1 4 . 1 1 99 99 GLU CA C 99 53.952 53.952 56.044 -2.092 18734 1779 1 4 . 1 1 99 99 GLU CB C 99 27.803 27.803 30.554 -2.751 18734 1780 1 4 . 1 1 99 99 GLU H H 99 8.532 8.532 8.484 0.048 18734 1781 1 5 . 1 1 2 2 SER HA H 2 4.373 4.373 4.484 -0.111 18734 1782 1 5 . 1 1 2 2 SER CA C 2 55.756 55.756 58.102 -2.346 18734 1783 1 5 . 1 1 2 2 SER CB C 2 61.143 61.143 64.240 -3.097 18734 1784 1 5 . 1 1 3 3 HIS HA H 3 4.613 4.613 4.352 0.261 18734 1785 1 5 . 1 1 3 3 HIS CA C 3 52.991 52.991 57.275 -4.284 18734 1786 1 5 . 1 1 3 3 HIS CB C 3 26.607 26.607 29.620 -3.013 18734 1787 1 5 . 1 1 4 4 GLU N N 4 122.124 122.124 121.990 0.134 18734 1788 1 5 . 1 1 4 4 GLU HA H 4 4.171 4.171 4.477 -0.306 18734 1789 1 5 . 1 1 4 4 GLU CA C 4 54.441 54.441 55.882 -1.441 18734 1790 1 5 . 1 1 4 4 GLU CB C 4 27.585 27.585 31.404 -3.819 18734 1791 1 5 . 1 1 4 4 GLU H H 4 8.415 8.415 8.300 0.115 18734 1792 1 5 . 1 1 5 5 GLY N N 5 110.434 110.434 107.837 2.597 18734 1793 1 5 . 1 1 5 5 GLY CA C 5 42.610 42.610 45.266 -2.656 18734 1794 1 5 . 1 1 5 5 GLY H H 5 8.488 8.488 8.747 -0.259 18734 1795 1 5 . 1 1 6 6 GLU N N 6 121.376 121.376 119.008 2.368 18734 1796 1 5 . 1 1 6 6 GLU HA H 6 4.560 4.560 4.588 -0.028 18734 1797 1 5 . 1 1 6 6 GLU CA C 6 51.629 51.629 52.378 -0.749 18734 1798 1 5 . 1 1 6 6 GLU CB C 6 26.998 26.998 29.463 -2.465 18734 1799 1 5 . 1 1 6 6 GLU H H 6 7.954 7.954 8.362 -0.408 18734 1800 1 5 . 1 1 7 7 PRO HA H 7 4.464 4.464 4.065 0.399 18734 1801 1 5 . 1 1 7 7 PRO CA C 7 60.517 60.517 62.271 -1.754 18734 1802 1 5 . 1 1 7 7 PRO CB C 7 29.486 29.486 30.412 -0.926 18734 1803 1 5 . 1 1 8 8 VAL N N 8 120.493 120.493 119.830 0.663 18734 1804 1 5 . 1 1 8 8 VAL HA H 8 4.387 4.387 4.366 0.021 18734 1805 1 5 . 1 1 8 8 VAL CA C 8 58.483 58.483 59.038 -0.555 18734 1806 1 5 . 1 1 8 8 VAL CB C 8 31.177 31.177 35.525 -4.348 18734 1807 1 5 . 1 1 8 8 VAL H H 8 8.177 8.177 7.784 0.393 18734 1808 1 5 . 1 1 9 9 VAL N N 9 124.516 124.516 127.276 -2.760 18734 1809 1 5 . 1 1 9 9 VAL HA H 9 4.024 4.024 4.495 -0.471 18734 1810 1 5 . 1 1 9 9 VAL CA C 9 60.336 60.336 61.900 -1.563 18734 1811 1 5 . 1 1 9 9 VAL CB C 9 29.995 29.995 29.715 0.280 18734 1812 1 5 . 1 1 9 9 VAL H H 9 8.246 8.246 8.977 -0.731 18734 1813 1 5 . 1 1 10 10 GLY N N 10 114.968 114.968 112.000 2.968 18734 1814 1 5 . 1 1 10 10 GLY CA C 10 42.318 42.318 46.721 -4.402 18734 1815 1 5 . 1 1 10 10 GLY H H 10 8.595 8.595 7.957 0.638 18734 1816 1 5 . 1 1 11 11 MET N N 11 120.532 120.532 116.765 3.767 18734 1817 1 5 . 1 1 11 11 MET CA C 11 53.802 53.802 56.021 -2.219 18734 1818 1 5 . 1 1 11 11 MET CB C 11 30.698 30.698 34.063 -3.365 18734 1819 1 5 . 1 1 11 11 MET H H 11 8.320 8.320 8.071 0.249 18734 1820 1 5 . 1 1 12 12 ASP N N 12 120.515 120.515 121.058 -0.543 18734 1821 1 5 . 1 1 12 12 ASP HA H 12 4.637 4.637 4.791 -0.154 18734 1822 1 5 . 1 1 12 12 ASP CB C 12 38.090 38.090 42.183 -4.093 18734 1823 1 5 . 1 1 12 12 ASP H H 12 8.261 8.261 8.014 0.247 18734 1824 1 5 . 1 1 13 13 LYS N N 13 123.685 123.685 126.424 -2.739 18734 1825 1 5 . 1 1 13 13 LYS HA H 13 4.623 4.623 4.721 -0.098 18734 1826 1 5 . 1 1 13 13 LYS CA C 13 50.898 50.898 56.995 -6.097 18734 1827 1 5 . 1 1 13 13 LYS CB C 13 30.003 30.003 32.208 -2.205 18734 1828 1 5 . 1 1 13 13 LYS H H 13 8.579 8.579 8.739 -0.160 18734 1829 1 5 . 1 1 14 14 SER N N 14 115.048 115.048 118.593 -3.545 18734 1830 1 5 . 1 1 14 14 SER HA H 14 4.447 4.447 4.774 -0.327 18734 1831 1 5 . 1 1 14 14 SER CA C 14 56.917 56.917 59.859 -2.942 18734 1832 1 5 . 1 1 14 14 SER CB C 14 61.536 61.536 64.286 -2.750 18734 1833 1 5 . 1 1 14 14 SER H H 14 8.507 8.507 8.712 -0.205 18734 1834 1 5 . 1 1 15 15 LEU N N 15 119.294 119.294 122.121 -2.827 18734 1835 1 5 . 1 1 15 15 LEU HA H 15 3.989 3.989 4.310 -0.321 18734 1836 1 5 . 1 1 15 15 LEU CA C 15 53.219 53.219 55.804 -2.585 18734 1837 1 5 . 1 1 15 15 LEU CB C 15 39.813 39.813 39.609 0.204 18734 1838 1 5 . 1 1 15 15 LEU H H 15 6.908 6.908 8.456 -1.548 18734 1839 1 5 . 1 1 16 16 PHE N N 16 117.103 117.103 119.611 -2.508 18734 1840 1 5 . 1 1 16 16 PHE HA H 16 4.397 4.397 4.501 -0.104 18734 1841 1 5 . 1 1 16 16 PHE CA C 16 56.719 56.719 58.627 -1.908 18734 1842 1 5 . 1 1 16 16 PHE CB C 16 37.917 37.917 38.650 -0.733 18734 1843 1 5 . 1 1 16 16 PHE H H 16 7.658 7.658 7.744 -0.086 18734 1844 1 5 . 1 1 17 17 ALA N N 17 120.694 120.694 121.738 -1.044 18734 1845 1 5 . 1 1 17 17 ALA HA H 17 3.964 3.964 4.710 -0.746 18734 1846 1 5 . 1 1 17 17 ALA CA C 17 51.840 51.840 51.340 0.500 18734 1847 1 5 . 1 1 17 17 ALA CB C 17 15.004 15.004 17.831 -2.827 18734 1848 1 5 . 1 1 17 17 ALA H H 17 7.514 7.514 7.361 0.153 18734 1849 1 5 . 1 1 18 18 GLY N N 18 110.007 110.007 110.612 -0.605 18734 1850 1 5 . 1 1 18 18 GLY CA C 18 43.150 43.150 45.668 -2.518 18734 1851 1 5 . 1 1 18 18 GLY H H 18 8.204 8.204 8.172 0.032 18734 1852 1 5 . 1 1 19 19 ASN N N 19 119.323 119.323 120.696 -1.373 18734 1853 1 5 . 1 1 19 19 ASN HA H 19 4.733 4.733 4.895 -0.162 18734 1854 1 5 . 1 1 19 19 ASN CB C 19 36.020 36.020 38.785 -2.764 18734 1855 1 5 . 1 1 19 19 ASN H H 19 8.124 8.124 8.127 -0.003 18734 1856 1 5 . 1 1 20 20 THR N N 20 116.844 116.844 118.358 -1.514 18734 1857 1 5 . 1 1 20 20 THR HA H 20 4.243 4.243 4.426 -0.183 18734 1858 1 5 . 1 1 20 20 THR CA C 20 60.224 60.224 63.362 -3.139 18734 1859 1 5 . 1 1 20 20 THR CB C 20 66.167 66.167 68.186 -2.019 18734 1860 1 5 . 1 1 20 20 THR H H 20 8.400 8.400 8.743 -0.343 18734 1861 1 5 . 1 1 21 21 VAL N N 21 117.661 117.661 117.218 0.443 18734 1862 1 5 . 1 1 21 21 VAL HA H 21 4.161 4.161 4.195 -0.034 18734 1863 1 5 . 1 1 21 21 VAL CA C 21 59.739 59.739 61.815 -2.075 18734 1864 1 5 . 1 1 21 21 VAL CB C 21 31.224 31.224 33.447 -2.223 18734 1865 1 5 . 1 1 21 21 VAL H H 21 8.412 8.412 7.636 0.776 18734 1866 1 5 . 1 1 22 22 ILE N N 22 120.465 120.465 122.928 -2.463 18734 1867 1 5 . 1 1 22 22 ILE HA H 22 3.873 3.873 4.254 -0.381 18734 1868 1 5 . 1 1 22 22 ILE CA C 22 59.860 59.860 60.659 -0.799 18734 1869 1 5 . 1 1 22 22 ILE CB C 22 37.052 37.052 38.174 -1.122 18734 1870 1 5 . 1 1 22 22 ILE H H 22 7.300 7.300 7.396 -0.096 18734 1871 1 5 . 1 1 23 23 ARG N N 23 122.168 122.168 127.376 -5.208 18734 1872 1 5 . 1 1 23 23 ARG HA H 23 4.940 4.940 4.604 0.336 18734 1873 1 5 . 1 1 23 23 ARG CA C 23 54.175 54.175 57.247 -3.072 18734 1874 1 5 . 1 1 23 23 ARG CB C 23 30.921 30.921 31.107 -0.186 18734 1875 1 5 . 1 1 23 23 ARG H H 23 8.328 8.328 8.570 -0.242 18734 1876 1 5 . 1 1 24 24 GLU N N 24 117.968 117.968 117.413 0.555 18734 1877 1 5 . 1 1 24 24 GLU HA H 24 5.100 5.100 4.896 0.204 18734 1878 1 5 . 1 1 24 24 GLU CA C 24 51.948 51.948 55.203 -3.256 18734 1879 1 5 . 1 1 24 24 GLU CB C 24 30.737 30.737 33.005 -2.268 18734 1880 1 5 . 1 1 24 24 GLU H H 24 7.474 7.474 7.760 -0.286 18734 1881 1 5 . 1 1 25 25 ILE N N 25 121.135 121.135 125.586 -4.451 18734 1882 1 5 . 1 1 25 25 ILE HA H 25 4.205 4.205 4.385 -0.180 18734 1883 1 5 . 1 1 25 25 ILE CA C 25 57.149 57.149 60.181 -3.032 18734 1884 1 5 . 1 1 25 25 ILE CB C 25 39.882 39.882 39.831 0.051 18734 1885 1 5 . 1 1 25 25 ILE H H 25 7.591 7.591 8.117 -0.526 18734 1886 1 5 . 1 1 26 26 THR N N 26 122.935 122.935 124.094 -1.159 18734 1887 1 5 . 1 1 26 26 THR HA H 26 4.999 4.999 4.521 0.478 18734 1888 1 5 . 1 1 26 26 THR CA C 26 59.185 59.185 63.229 -4.044 18734 1889 1 5 . 1 1 26 26 THR CB C 26 67.259 67.259 68.644 -1.385 18734 1890 1 5 . 1 1 26 26 THR H H 26 8.243 8.243 8.661 -0.418 18734 1891 1 5 . 1 1 27 27 VAL N N 27 124.220 124.220 127.773 -3.553 18734 1892 1 5 . 1 1 27 27 VAL HA H 27 4.421 4.421 4.497 -0.076 18734 1893 1 5 . 1 1 27 27 VAL CA C 27 58.144 58.144 60.963 -2.819 18734 1894 1 5 . 1 1 27 27 VAL CB C 27 30.727 30.727 33.405 -2.678 18734 1895 1 5 . 1 1 27 27 VAL H H 27 9.216 9.216 9.208 0.008 18734 1896 1 5 . 1 1 28 28 GLN N N 28 129.280 129.280 127.004 2.276 18734 1897 1 5 . 1 1 28 28 GLN HA H 28 4.702 4.702 5.078 -0.376 18734 1898 1 5 . 1 1 28 28 GLN CB C 28 25.480 25.480 27.812 -2.332 18734 1899 1 5 . 1 1 28 28 GLN H H 28 8.782 8.782 8.708 0.074 18734 1900 1 5 . 1 1 29 29 PRO HA H 29 3.457 3.457 3.407 0.050 18734 1901 1 5 . 1 1 29 29 PRO CA C 29 60.712 60.712 62.080 -1.368 18734 1902 1 5 . 1 1 29 29 PRO CB C 29 30.122 30.122 32.453 -2.332 18734 1903 1 5 . 1 1 30 30 ASN N N 30 113.396 113.396 115.921 -2.525 18734 1904 1 5 . 1 1 30 30 ASN HA H 30 4.329 4.329 4.207 0.122 18734 1905 1 5 . 1 1 30 30 ASN CA C 30 51.999 51.999 54.601 -2.602 18734 1906 1 5 . 1 1 30 30 ASN CB C 30 34.627 34.627 37.302 -2.675 18734 1907 1 5 . 1 1 30 30 ASN H H 30 8.199 8.199 8.395 -0.196 18734 1908 1 5 . 1 1 31 31 ILE N N 31 115.907 115.907 117.738 -1.831 18734 1909 1 5 . 1 1 31 31 ILE HA H 31 4.395 4.395 4.346 0.049 18734 1910 1 5 . 1 1 31 31 ILE CA C 31 57.434 57.434 60.017 -2.583 18734 1911 1 5 . 1 1 31 31 ILE CB C 31 36.859 36.859 39.016 -2.157 18734 1912 1 5 . 1 1 31 31 ILE H H 31 8.201 8.201 8.081 0.120 18734 1913 1 5 . 1 1 32 32 GLY N N 32 111.217 111.217 105.704 5.513 18734 1914 1 5 . 1 1 32 32 GLY CA C 32 41.729 41.729 44.299 -2.570 18734 1915 1 5 . 1 1 32 32 GLY H H 32 7.998 7.998 7.603 0.395 18734 1916 1 5 . 1 1 33 33 LEU N N 33 120.007 120.007 120.994 -0.987 18734 1917 1 5 . 1 1 33 33 LEU HA H 33 3.880 3.880 4.531 -0.651 18734 1918 1 5 . 1 1 33 33 LEU CA C 33 53.595 53.595 55.217 -1.622 18734 1919 1 5 . 1 1 33 33 LEU CB C 33 40.528 40.528 43.276 -2.748 18734 1920 1 5 . 1 1 33 33 LEU H H 33 7.820 7.820 8.538 -0.718 18734 1921 1 5 . 1 1 34 34 LEU N N 34 128.106 128.106 128.497 -0.391 18734 1922 1 5 . 1 1 34 34 LEU HA H 34 4.485 4.485 4.257 0.228 18734 1923 1 5 . 1 1 34 34 LEU CA C 34 51.078 51.078 54.146 -3.068 18734 1924 1 5 . 1 1 34 34 LEU CB C 34 37.447 37.447 40.037 -2.590 18734 1925 1 5 . 1 1 34 34 LEU H H 34 8.551 8.551 8.498 0.053 18734 1926 1 5 . 1 1 35 35 TYR N N 35 121.473 121.473 121.546 -0.073 18734 1927 1 5 . 1 1 35 35 TYR HA H 35 4.240 4.240 4.465 -0.225 18734 1928 1 5 . 1 1 35 35 TYR CA C 35 53.814 53.814 55.456 -1.642 18734 1929 1 5 . 1 1 35 35 TYR CB C 35 36.868 36.868 38.059 -1.191 18734 1930 1 5 . 1 1 35 35 TYR H H 35 6.363 6.363 7.401 -1.038 18734 1931 1 5 . 1 1 36 36 ASP N N 36 119.590 119.590 117.801 1.789 18734 1932 1 5 . 1 1 36 36 ASP HA H 36 3.980 3.980 4.532 -0.552 18734 1933 1 5 . 1 1 36 36 ASP CA C 36 52.760 52.760 53.849 -1.089 18734 1934 1 5 . 1 1 36 36 ASP CB C 36 37.119 37.119 41.715 -4.596 18734 1935 1 5 . 1 1 36 36 ASP H H 36 8.573 8.573 8.226 0.347 18734 1936 1 5 . 1 1 37 37 GLY N N 37 108.636 108.636 111.628 -2.992 18734 1937 1 5 . 1 1 37 37 GLY CA C 37 44.335 44.335 45.911 -1.576 18734 1938 1 5 . 1 1 37 37 GLY H H 37 7.903 7.903 8.654 -0.751 18734 1939 1 5 . 1 1 38 38 MET N N 38 120.339 120.339 119.267 1.072 18734 1940 1 5 . 1 1 38 38 MET HA H 38 3.631 3.631 3.839 -0.208 18734 1941 1 5 . 1 1 38 38 MET CA C 38 56.101 56.101 57.416 -1.315 18734 1942 1 5 . 1 1 38 38 MET CB C 38 29.166 29.166 31.262 -2.096 18734 1943 1 5 . 1 1 38 38 MET H H 38 7.873 7.873 7.849 0.024 18734 1944 1 5 . 1 1 39 39 PHE N N 39 115.430 115.430 113.249 2.181 18734 1945 1 5 . 1 1 39 39 PHE HA H 39 4.908 4.908 4.815 0.093 18734 1946 1 5 . 1 1 39 39 PHE CA C 39 52.898 52.898 55.471 -2.573 18734 1947 1 5 . 1 1 39 39 PHE CB C 39 36.647 36.647 37.697 -1.050 18734 1948 1 5 . 1 1 39 39 PHE H H 39 8.504 8.504 7.316 1.188 18734 1949 1 5 . 1 1 40 40 SER N N 40 113.647 113.647 117.534 -3.887 18734 1950 1 5 . 1 1 40 40 SER HA H 40 4.238 4.238 4.228 0.010 18734 1951 1 5 . 1 1 40 40 SER CA C 40 56.954 56.954 60.251 -3.297 18734 1952 1 5 . 1 1 40 40 SER CB C 40 60.458 60.458 62.873 -2.415 18734 1953 1 5 . 1 1 40 40 SER H H 40 7.264 7.264 7.529 -0.265 18734 1954 1 5 . 1 1 41 41 GLY N N 41 115.225 115.225 114.370 0.855 18734 1955 1 5 . 1 1 41 41 GLY CA C 41 42.941 42.941 45.188 -2.247 18734 1956 1 5 . 1 1 41 41 GLY H H 41 9.110 9.110 8.361 0.749 18734 1957 1 5 . 1 1 42 42 CYS N N 42 120.385 120.385 123.166 -2.781 18734 1958 1 5 . 1 1 42 42 CYS HA H 42 4.761 4.761 4.644 0.117 18734 1959 1 5 . 1 1 42 42 CYS CB C 42 23.867 23.867 25.028 -1.161 18734 1960 1 5 . 1 1 42 42 CYS H H 42 7.929 7.929 8.340 -0.411 18734 1961 1 5 . 1 1 43 43 THR N N 43 113.920 113.920 114.807 -0.887 18734 1962 1 5 . 1 1 43 43 THR HA H 43 3.863 3.863 4.126 -0.263 18734 1963 1 5 . 1 1 43 43 THR CA C 43 61.663 61.663 64.294 -2.631 18734 1964 1 5 . 1 1 43 43 THR CB C 43 66.027 66.027 68.833 -2.806 18734 1965 1 5 . 1 1 43 43 THR H H 43 7.495 7.495 8.108 -0.613 18734 1966 1 5 . 1 1 44 44 ALA N N 44 123.479 123.479 122.424 1.055 18734 1967 1 5 . 1 1 44 44 ALA HA H 44 4.477 4.477 4.592 -0.115 18734 1968 1 5 . 1 1 44 44 ALA CA C 44 48.198 48.198 51.121 -2.923 18734 1969 1 5 . 1 1 44 44 ALA CB C 44 17.096 17.096 19.488 -2.393 18734 1970 1 5 . 1 1 44 44 ALA H H 44 8.551 8.551 7.876 0.675 18734 1971 1 5 . 1 1 45 45 LEU N N 45 121.070 121.070 120.183 0.887 18734 1972 1 5 . 1 1 45 45 LEU HA H 45 3.981 3.981 4.441 -0.460 18734 1973 1 5 . 1 1 45 45 LEU CA C 45 53.838 53.838 55.712 -1.874 18734 1974 1 5 . 1 1 45 45 LEU CB C 45 40.243 40.243 42.621 -2.378 18734 1975 1 5 . 1 1 45 45 LEU H H 45 6.819 6.819 7.579 -0.760 18734 1976 1 5 . 1 1 46 46 GLU N N 46 128.627 128.627 124.441 4.186 18734 1977 1 5 . 1 1 46 46 GLU HA H 46 4.511 4.511 4.594 -0.083 18734 1978 1 5 . 1 1 46 46 GLU CA C 46 54.357 54.357 56.432 -2.075 18734 1979 1 5 . 1 1 46 46 GLU CB C 46 29.883 29.883 32.558 -2.675 18734 1980 1 5 . 1 1 46 46 GLU H H 46 9.401 9.401 8.471 0.930 18734 1981 1 5 . 1 1 47 47 LYS N N 47 116.297 116.297 118.908 -2.611 18734 1982 1 5 . 1 1 47 47 LYS HA H 47 5.128 5.128 5.023 0.105 18734 1983 1 5 . 1 1 47 47 LYS CA C 47 52.808 52.808 54.489 -1.681 18734 1984 1 5 . 1 1 47 47 LYS CB C 47 35.325 35.325 37.442 -2.117 18734 1985 1 5 . 1 1 47 47 LYS H H 47 7.171 7.171 8.135 -0.964 18734 1986 1 5 . 1 1 48 48 LEU N N 48 125.474 125.474 121.915 3.559 18734 1987 1 5 . 1 1 48 48 LEU HA H 48 4.403 4.403 4.875 -0.472 18734 1988 1 5 . 1 1 48 48 LEU CA C 48 50.489 50.489 54.585 -4.096 18734 1989 1 5 . 1 1 48 48 LEU CB C 48 41.991 41.991 46.181 -4.190 18734 1990 1 5 . 1 1 48 48 LEU H H 48 8.715 8.715 8.503 0.212 18734 1991 1 5 . 1 1 49 49 ILE N N 49 127.246 127.246 122.142 5.104 18734 1992 1 5 . 1 1 49 49 ILE HA H 49 4.145 4.145 4.807 -0.662 18734 1993 1 5 . 1 1 49 49 ILE CA C 49 58.314 58.314 59.994 -1.680 18734 1994 1 5 . 1 1 49 49 ILE CB C 49 36.125 36.125 42.602 -6.477 18734 1995 1 5 . 1 1 49 49 ILE H H 49 9.131 9.131 8.576 0.555 18734 1996 1 5 . 1 1 50 50 LEU N N 50 128.685 128.685 126.378 2.307 18734 1997 1 5 . 1 1 50 50 LEU HA H 50 4.417 4.417 5.377 -0.960 18734 1998 1 5 . 1 1 50 50 LEU CA C 50 50.414 50.414 53.477 -3.062 18734 1999 1 5 . 1 1 50 50 LEU CB C 50 36.390 36.390 43.770 -7.380 18734 2000 1 5 . 1 1 50 50 LEU H H 50 8.553 8.553 8.549 0.004 18734 2001 1 5 . 1 1 51 51 THR N N 51 109.751 109.751 114.870 -5.119 18734 2002 1 5 . 1 1 51 51 THR HA H 51 3.935 3.935 4.441 -0.506 18734 2003 1 5 . 1 1 51 51 THR CA C 51 60.194 60.194 62.156 -1.962 18734 2004 1 5 . 1 1 51 51 THR CB C 51 66.107 66.107 68.875 -2.768 18734 2005 1 5 . 1 1 51 51 THR H H 51 6.964 6.964 8.465 -1.501 18734 2006 1 5 . 1 1 52 52 GLY N N 52 108.656 108.656 110.561 -1.905 18734 2007 1 5 . 1 1 52 52 GLY CA C 52 42.432 42.432 44.077 -1.645 18734 2008 1 5 . 1 1 52 52 GLY H H 52 8.409 8.409 7.802 0.607 18734 2009 1 5 . 1 1 53 53 GLU N N 53 119.733 119.733 118.990 0.743 18734 2010 1 5 . 1 1 53 53 GLU HA H 53 4.061 4.061 4.496 -0.435 18734 2011 1 5 . 1 1 53 53 GLU CA C 53 54.296 54.296 56.207 -1.911 18734 2012 1 5 . 1 1 53 53 GLU CB C 53 27.425 27.425 30.579 -3.154 18734 2013 1 5 . 1 1 53 53 GLU H H 53 8.741 8.741 8.808 -0.067 18734 2014 1 5 . 1 1 54 54 ASP N N 54 118.231 118.231 117.005 1.226 18734 2015 1 5 . 1 1 54 54 ASP HA H 54 5.035 5.035 4.682 0.353 18734 2016 1 5 . 1 1 54 54 ASP CA C 54 46.882 46.882 51.371 -4.489 18734 2017 1 5 . 1 1 54 54 ASP CB C 54 39.822 39.822 43.764 -3.942 18734 2018 1 5 . 1 1 54 54 ASP H H 54 8.309 8.309 8.003 0.306 18734 2019 1 5 . 1 1 55 55 PRO HA H 55 3.920 3.920 4.128 -0.208 18734 2020 1 5 . 1 1 55 55 PRO CA C 55 61.140 61.140 64.296 -3.156 18734 2021 1 5 . 1 1 55 55 PRO CB C 55 30.606 30.606 31.873 -1.267 18734 2022 1 5 . 1 1 56 56 SER N N 56 108.966 108.966 115.928 -6.962 18734 2023 1 5 . 1 1 56 56 SER HA H 56 4.494 4.494 4.289 0.205 18734 2024 1 5 . 1 1 56 56 SER CA C 56 57.752 57.752 61.158 -3.406 18734 2025 1 5 . 1 1 56 56 SER CB C 56 60.574 60.574 62.891 -2.317 18734 2026 1 5 . 1 1 56 56 SER H H 56 7.998 7.998 8.734 -0.736 18734 2027 1 5 . 1 1 57 57 ALA N N 57 123.346 123.346 120.891 2.455 18734 2028 1 5 . 1 1 57 57 ALA HA H 57 4.197 4.197 4.262 -0.065 18734 2029 1 5 . 1 1 57 57 ALA CA C 57 49.452 49.452 52.398 -2.946 18734 2030 1 5 . 1 1 57 57 ALA CB C 57 17.341 17.341 19.407 -2.066 18734 2031 1 5 . 1 1 57 57 ALA H H 57 7.770 7.770 7.475 0.295 18734 2032 1 5 . 1 1 58 58 TYR N N 58 118.640 118.640 116.624 2.016 18734 2033 1 5 . 1 1 58 58 TYR HA H 58 4.844 4.844 4.856 -0.012 18734 2034 1 5 . 1 1 58 58 TYR CA C 58 54.841 54.841 58.072 -3.232 18734 2035 1 5 . 1 1 58 58 TYR CB C 58 39.626 39.626 42.509 -2.883 18734 2036 1 5 . 1 1 58 58 TYR H H 58 7.878 7.878 7.603 0.275 18734 2037 1 5 . 1 1 59 59 SER N N 59 118.841 118.841 115.410 3.431 18734 2038 1 5 . 1 1 59 59 SER HA H 59 4.584 4.584 4.983 -0.399 18734 2039 1 5 . 1 1 59 59 SER CA C 59 54.332 54.332 57.384 -3.052 18734 2040 1 5 . 1 1 59 59 SER CB C 59 62.866 62.866 65.483 -2.617 18734 2041 1 5 . 1 1 59 59 SER H H 59 9.289 9.289 8.701 0.588 18734 2042 1 5 . 1 1 60 60 ALA N N 60 125.034 125.034 120.415 4.619 18734 2043 1 5 . 1 1 60 60 ALA HA H 60 4.726 4.726 4.550 0.176 18734 2044 1 5 . 1 1 60 60 ALA CB C 60 20.233 20.233 19.051 1.182 18734 2045 1 5 . 1 1 60 60 ALA H H 60 7.473 7.473 8.677 -1.204 18734 2046 1 5 . 1 1 61 61 GLY N N 61 109.267 109.267 109.458 -0.191 18734 2047 1 5 . 1 1 61 61 GLY CA C 61 41.504 41.504 47.341 -5.837 18734 2048 1 5 . 1 1 61 61 GLY H H 61 9.368 9.368 8.606 0.762 18734 2049 1 5 . 1 1 62 62 ASP N N 62 121.898 121.898 122.843 -0.945 18734 2050 1 5 . 1 1 62 62 ASP HA H 62 4.673 4.673 4.752 -0.079 18734 2051 1 5 . 1 1 62 62 ASP CB C 62 38.468 38.468 41.931 -3.463 18734 2052 1 5 . 1 1 62 62 ASP H H 62 9.236 9.236 8.226 1.010 18734 2053 1 5 . 1 1 63 63 GLY N N 63 111.438 111.438 108.121 3.317 18734 2054 1 5 . 1 1 63 63 GLY CA C 63 43.099 43.099 45.024 -1.925 18734 2055 1 5 . 1 1 63 63 GLY H H 63 8.774 8.774 8.476 0.298 18734 2056 1 5 . 1 1 64 64 LEU N N 64 125.900 125.900 123.038 2.862 18734 2057 1 5 . 1 1 64 64 LEU HA H 64 4.169 4.169 4.035 0.134 18734 2058 1 5 . 1 1 64 64 LEU CA C 64 56.103 56.103 57.757 -1.654 18734 2059 1 5 . 1 1 64 64 LEU CB C 64 40.431 40.431 42.040 -1.609 18734 2060 1 5 . 1 1 64 64 LEU H H 64 7.483 7.483 7.583 -0.100 18734 2061 1 5 . 1 1 65 65 ARG N N 65 111.696 111.696 114.961 -3.265 18734 2062 1 5 . 1 1 65 65 ARG HA H 65 4.057 4.057 4.588 -0.531 18734 2063 1 5 . 1 1 65 65 ARG CA C 65 51.787 51.787 56.056 -4.269 18734 2064 1 5 . 1 1 65 65 ARG CB C 65 26.474 26.474 30.438 -3.963 18734 2065 1 5 . 1 1 65 65 ARG H H 65 8.071 8.071 7.578 0.493 18734 2066 1 5 . 1 1 66 66 ASP N N 66 120.559 120.559 120.364 0.195 18734 2067 1 5 . 1 1 66 66 ASP HA H 66 4.121 4.121 4.392 -0.271 18734 2068 1 5 . 1 1 66 66 ASP CA C 66 53.462 53.462 56.868 -3.406 18734 2069 1 5 . 1 1 66 66 ASP CB C 66 37.557 37.557 41.130 -3.573 18734 2070 1 5 . 1 1 66 66 ASP H H 66 7.293 7.293 7.955 -0.662 18734 2071 1 5 . 1 1 67 67 GLY N N 67 110.131 110.131 111.881 -1.750 18734 2072 1 5 . 1 1 67 67 GLY CA C 67 43.985 43.985 45.292 -1.307 18734 2073 1 5 . 1 1 67 67 GLY H H 67 8.695 8.695 8.478 0.217 18734 2074 1 5 . 1 1 68 68 ALA N N 68 123.462 123.462 123.352 0.110 18734 2075 1 5 . 1 1 68 68 ALA HA H 68 4.385 4.385 4.804 -0.419 18734 2076 1 5 . 1 1 68 68 ALA CA C 68 49.065 49.065 51.274 -2.209 18734 2077 1 5 . 1 1 68 68 ALA CB C 68 19.402 19.402 21.663 -2.261 18734 2078 1 5 . 1 1 68 68 ALA H H 68 8.058 8.058 7.988 0.070 18734 2079 1 5 . 1 1 69 69 ASP N N 69 116.343 116.343 118.209 -1.866 18734 2080 1 5 . 1 1 69 69 ASP HA H 69 4.524 4.524 4.624 -0.100 18734 2081 1 5 . 1 1 69 69 ASP CA C 69 51.240 51.240 53.978 -2.738 18734 2082 1 5 . 1 1 69 69 ASP CB C 69 39.076 39.076 43.161 -4.085 18734 2083 1 5 . 1 1 69 69 ASP H H 69 8.721 8.721 8.541 0.180 18734 2084 1 5 . 1 1 70 70 PHE N N 70 113.658 113.658 119.922 -6.264 18734 2085 1 5 . 1 1 70 70 PHE HA H 70 4.648 4.648 4.795 -0.147 18734 2086 1 5 . 1 1 70 70 PHE CA C 70 52.114 52.114 56.161 -4.047 18734 2087 1 5 . 1 1 70 70 PHE CB C 70 38.375 38.375 40.571 -2.196 18734 2088 1 5 . 1 1 70 70 PHE H H 70 5.865 5.865 7.425 -1.560 18734 2089 1 5 . 1 1 71 71 LEU N N 71 119.766 119.766 120.269 -0.503 18734 2090 1 5 . 1 1 71 71 LEU HA H 71 4.915 4.915 4.730 0.185 18734 2091 1 5 . 1 1 71 71 LEU CA C 71 50.797 50.797 53.761 -2.964 18734 2092 1 5 . 1 1 71 71 LEU CB C 71 41.482 41.482 46.480 -4.998 18734 2093 1 5 . 1 1 71 71 LEU H H 71 7.964 7.964 7.860 0.104 18734 2094 1 5 . 1 1 72 72 ILE N N 72 123.675 123.675 121.583 2.092 18734 2095 1 5 . 1 1 72 72 ILE HA H 72 4.728 4.728 4.622 0.106 18734 2096 1 5 . 1 1 72 72 ILE CB C 72 36.921 36.921 40.862 -3.942 18734 2097 1 5 . 1 1 72 72 ILE H H 72 9.073 9.073 9.039 0.034 18734 2098 1 5 . 1 1 73 73 CYS N N 73 125.409 125.409 126.177 -0.768 18734 2099 1 5 . 1 1 73 73 CYS HA H 73 5.534 5.534 5.350 0.184 18734 2100 1 5 . 1 1 73 73 CYS CA C 73 54.056 54.056 57.286 -3.230 18734 2101 1 5 . 1 1 73 73 CYS CB C 73 27.753 27.753 28.843 -1.090 18734 2102 1 5 . 1 1 73 73 CYS H H 73 9.060 9.060 8.503 0.557 18734 2103 1 5 . 1 1 74 74 VAL N N 74 114.408 114.408 120.080 -5.672 18734 2104 1 5 . 1 1 74 74 VAL HA H 74 4.951 4.951 4.768 0.183 18734 2105 1 5 . 1 1 74 74 VAL CA C 74 54.229 54.229 57.545 -3.316 18734 2106 1 5 . 1 1 74 74 VAL CB C 74 29.675 29.675 33.728 -4.053 18734 2107 1 5 . 1 1 74 74 VAL H H 74 7.938 7.938 8.819 -0.881 18734 2108 1 5 . 1 1 75 75 PRO HA H 75 4.283 4.283 4.650 -0.367 18734 2109 1 5 . 1 1 75 75 PRO CA C 75 60.889 60.889 62.280 -1.391 18734 2110 1 5 . 1 1 75 75 PRO CB C 75 29.499 29.499 32.904 -3.405 18734 2111 1 5 . 1 1 76 76 GLU N N 76 126.159 126.159 122.167 3.992 18734 2112 1 5 . 1 1 76 76 GLU HA H 76 3.664 3.664 3.935 -0.271 18734 2113 1 5 . 1 1 76 76 GLU CA C 76 58.112 58.112 59.735 -1.623 18734 2114 1 5 . 1 1 76 76 GLU CB C 76 26.894 26.894 28.884 -1.990 18734 2115 1 5 . 1 1 76 76 GLU H H 76 9.130 9.130 8.854 0.276 18734 2116 1 5 . 1 1 77 77 GLU N N 77 117.145 117.145 119.403 -2.258 18734 2117 1 5 . 1 1 77 77 GLU HA H 77 4.100 4.100 4.131 -0.031 18734 2118 1 5 . 1 1 77 77 GLU CA C 77 55.734 55.734 58.295 -2.561 18734 2119 1 5 . 1 1 77 77 GLU CB C 77 26.315 26.315 29.424 -3.109 18734 2120 1 5 . 1 1 77 77 GLU H H 77 9.350 9.350 8.744 0.606 18734 2121 1 5 . 1 1 78 78 ALA N N 78 120.398 120.398 118.805 1.593 18734 2122 1 5 . 1 1 78 78 ALA HA H 78 4.699 4.699 4.281 0.418 18734 2123 1 5 . 1 1 78 78 ALA CB C 78 18.962 18.962 19.258 -0.296 18734 2124 1 5 . 1 1 78 78 ALA H H 78 8.044 8.044 7.545 0.499 18734 2125 1 5 . 1 1 79 79 LEU N N 79 122.497 122.497 121.464 1.033 18734 2126 1 5 . 1 1 79 79 LEU HA H 79 3.710 3.710 4.042 -0.332 18734 2127 1 5 . 1 1 79 79 LEU CA C 79 56.837 56.837 58.302 -1.465 18734 2128 1 5 . 1 1 79 79 LEU CB C 79 40.952 40.952 41.755 -0.803 18734 2129 1 5 . 1 1 79 79 LEU H H 79 7.331 7.331 7.596 -0.265 18734 2130 1 5 . 1 1 80 80 ASP N N 80 116.432 116.432 118.192 -1.760 18734 2131 1 5 . 1 1 80 80 ASP HA H 80 4.357 4.357 4.363 -0.006 18734 2132 1 5 . 1 1 80 80 ASP CA C 80 54.751 54.751 57.014 -2.263 18734 2133 1 5 . 1 1 80 80 ASP CB C 80 38.534 38.534 40.424 -1.890 18734 2134 1 5 . 1 1 80 80 ASP H H 80 8.305 8.305 8.485 -0.180 18734 2135 1 5 . 1 1 81 81 ARG N N 81 119.433 119.433 119.347 0.086 18734 2136 1 5 . 1 1 81 81 ARG HA H 81 3.894 3.894 4.015 -0.121 18734 2137 1 5 . 1 1 81 81 ARG CA C 81 56.473 56.473 59.071 -2.598 18734 2138 1 5 . 1 1 81 81 ARG CB C 81 27.481 27.481 30.073 -2.592 18734 2139 1 5 . 1 1 81 81 ARG H H 81 7.638 7.638 8.168 -0.530 18734 2140 1 5 . 1 1 82 82 TYR N N 82 116.397 116.397 116.698 -0.301 18734 2141 1 5 . 1 1 82 82 TYR HA H 82 3.830 3.830 4.203 -0.373 18734 2142 1 5 . 1 1 82 82 TYR CA C 82 61.170 61.170 61.282 -0.112 18734 2143 1 5 . 1 1 82 82 TYR CB C 82 37.031 37.031 38.360 -1.329 18734 2144 1 5 . 1 1 82 82 TYR H H 82 8.198 8.198 7.944 0.254 18734 2145 1 5 . 1 1 83 83 ARG N N 83 113.114 113.114 118.484 -5.370 18734 2146 1 5 . 1 1 83 83 ARG HA H 83 3.728 3.728 4.124 -0.396 18734 2147 1 5 . 1 1 83 83 ARG CA C 83 58.115 58.115 58.966 -0.851 18734 2148 1 5 . 1 1 83 83 ARG CB C 83 28.107 28.107 30.255 -2.148 18734 2149 1 5 . 1 1 83 83 ARG H H 83 8.151 8.151 7.741 0.410 18734 2150 1 5 . 1 1 84 84 ARG N N 84 111.791 111.791 116.887 -5.096 18734 2151 1 5 . 1 1 84 84 ARG HA H 84 4.386 4.386 4.304 0.082 18734 2152 1 5 . 1 1 84 84 ARG CA C 84 52.335 52.335 56.748 -4.413 18734 2153 1 5 . 1 1 84 84 ARG CB C 84 27.987 27.987 29.894 -1.907 18734 2154 1 5 . 1 1 84 84 ARG H H 84 7.571 7.571 7.961 -0.390 18734 2155 1 5 . 1 1 85 85 ASP N N 85 123.157 123.157 121.545 1.612 18734 2156 1 5 . 1 1 85 85 ASP HA H 85 4.373 4.373 4.765 -0.392 18734 2157 1 5 . 1 1 85 85 ASP CA C 85 52.852 52.852 54.433 -1.581 18734 2158 1 5 . 1 1 85 85 ASP CB C 85 42.482 42.482 42.404 0.078 18734 2159 1 5 . 1 1 85 85 ASP H H 85 7.200 7.200 7.869 -0.669 18734 2160 1 5 . 1 1 86 86 TYR N N 86 123.389 123.389 128.005 -4.616 18734 2161 1 5 . 1 1 86 86 TYR HA H 86 4.092 4.092 4.294 -0.202 18734 2162 1 5 . 1 1 86 86 TYR CA C 86 58.674 58.674 61.520 -2.846 18734 2163 1 5 . 1 1 86 86 TYR CB C 86 35.801 35.801 38.974 -3.173 18734 2164 1 5 . 1 1 86 86 TYR H H 86 8.440 8.440 9.117 -0.677 18734 2165 1 5 . 1 1 87 87 PHE N N 87 117.092 117.092 118.206 -1.114 18734 2166 1 5 . 1 1 87 87 PHE HA H 87 4.378 4.378 4.354 0.024 18734 2167 1 5 . 1 1 87 87 PHE CA C 87 57.433 57.433 58.060 -0.627 18734 2168 1 5 . 1 1 87 87 PHE CB C 87 37.442 37.442 38.824 -1.382 18734 2169 1 5 . 1 1 87 87 PHE H H 87 7.931 7.931 8.070 -0.139 18734 2170 1 5 . 1 1 88 88 TRP N N 88 121.396 121.396 119.309 2.087 18734 2171 1 5 . 1 1 88 88 TRP HA H 88 3.798 3.798 4.165 -0.367 18734 2172 1 5 . 1 1 88 88 TRP CA C 88 59.544 59.544 60.452 -0.908 18734 2173 1 5 . 1 1 88 88 TRP CB C 88 26.293 26.293 28.993 -2.700 18734 2174 1 5 . 1 1 88 88 TRP H H 88 9.757 9.757 8.040 1.717 18734 2175 1 5 . 1 1 89 89 GLN N N 89 117.760 117.760 120.554 -2.794 18734 2176 1 5 . 1 1 89 89 GLN HA H 89 4.393 4.393 3.891 0.502 18734 2177 1 5 . 1 1 89 89 GLN CA C 89 55.882 55.882 59.418 -3.536 18734 2178 1 5 . 1 1 89 89 GLN CB C 89 30.198 30.198 27.934 2.264 18734 2179 1 5 . 1 1 89 89 GLN H H 89 8.490 8.490 8.158 0.332 18734 2180 1 5 . 1 1 90 90 THR N N 90 118.285 118.285 113.567 4.718 18734 2181 1 5 . 1 1 90 90 THR HA H 90 3.686 3.686 4.039 -0.353 18734 2182 1 5 . 1 1 90 90 THR CA C 90 62.770 62.770 65.038 -2.268 18734 2183 1 5 . 1 1 90 90 THR CB C 90 66.664 66.664 68.716 -2.052 18734 2184 1 5 . 1 1 90 90 THR H H 90 7.932 7.932 8.172 -0.240 18734 2185 1 5 . 1 1 91 91 TYR N N 91 118.448 118.448 117.977 0.471 18734 2186 1 5 . 1 1 91 91 TYR HA H 91 4.975 4.975 5.068 -0.093 18734 2187 1 5 . 1 1 91 91 TYR CA C 91 55.511 55.511 57.586 -2.075 18734 2188 1 5 . 1 1 91 91 TYR CB C 91 37.126 37.126 38.979 -1.853 18734 2189 1 5 . 1 1 91 91 TYR H H 91 8.009 8.009 7.702 0.307 18734 2190 1 5 . 1 1 92 92 ALA N N 92 122.351 122.351 124.456 -2.105 18734 2191 1 5 . 1 1 92 92 ALA HA H 92 3.843 3.843 4.005 -0.162 18734 2192 1 5 . 1 1 92 92 ALA CA C 92 54.108 54.108 54.823 -0.715 18734 2193 1 5 . 1 1 92 92 ALA CB C 92 16.505 16.505 18.156 -1.651 18734 2194 1 5 . 1 1 92 92 ALA H H 92 7.665 7.665 7.970 -0.305 18734 2195 1 5 . 1 1 93 93 ALA N N 93 117.548 117.548 119.160 -1.612 18734 2196 1 5 . 1 1 93 93 ALA HA H 93 3.702 3.702 3.813 -0.111 18734 2197 1 5 . 1 1 93 93 ALA CA C 93 51.371 51.371 53.170 -1.799 18734 2198 1 5 . 1 1 93 93 ALA CB C 93 14.292 14.292 17.722 -3.430 18734 2199 1 5 . 1 1 93 93 ALA H H 93 8.275 8.275 8.213 0.062 18734 2200 1 5 . 1 1 94 94 TRP N N 94 115.303 115.303 115.228 0.075 18734 2201 1 5 . 1 1 94 94 TRP HA H 94 4.669 4.669 4.917 -0.248 18734 2202 1 5 . 1 1 94 94 TRP CB C 94 26.912 26.912 30.018 -3.106 18734 2203 1 5 . 1 1 94 94 TRP H H 94 8.203 8.203 7.686 0.517 18734 2204 1 5 . 1 1 95 95 ILE N N 95 120.680 120.680 121.236 -0.556 18734 2205 1 5 . 1 1 95 95 ILE HA H 95 5.325 5.325 4.304 1.021 18734 2206 1 5 . 1 1 95 95 ILE CA C 95 57.930 57.930 60.858 -2.928 18734 2207 1 5 . 1 1 95 95 ILE CB C 95 36.508 36.508 38.525 -2.017 18734 2208 1 5 . 1 1 95 95 ILE H H 95 7.153 7.153 7.294 -0.141 18734 2209 1 5 . 1 1 96 96 GLN N N 96 128.223 128.223 126.605 1.618 18734 2210 1 5 . 1 1 96 96 GLN HA H 96 4.691 4.691 4.933 -0.242 18734 2211 1 5 . 1 1 96 96 GLN CB C 96 28.885 28.885 29.503 -0.618 18734 2212 1 5 . 1 1 96 96 GLN H H 96 9.189 9.189 8.689 0.500 18734 2213 1 5 . 1 1 97 97 PRO HA H 97 4.833 4.833 4.879 -0.046 18734 2214 1 5 . 1 1 97 97 PRO CA C 97 59.122 59.122 62.645 -3.523 18734 2215 1 5 . 1 1 97 97 PRO CB C 97 29.515 29.515 32.800 -3.285 18734 2216 1 5 . 1 1 98 98 MET N N 98 120.815 120.815 117.968 2.847 18734 2217 1 5 . 1 1 98 98 MET HA H 98 4.116 4.116 4.556 -0.440 18734 2218 1 5 . 1 1 98 98 MET CA C 98 52.944 52.944 55.169 -2.225 18734 2219 1 5 . 1 1 98 98 MET CB C 98 30.981 30.981 33.853 -2.872 18734 2220 1 5 . 1 1 98 98 MET H H 98 8.551 8.551 8.037 0.514 18734 2221 1 5 . 1 1 99 99 GLU N N 99 124.677 124.677 120.054 4.623 18734 2222 1 5 . 1 1 99 99 GLU HA H 99 4.220 4.220 4.536 -0.316 18734 2223 1 5 . 1 1 99 99 GLU CA C 99 53.952 53.952 55.829 -1.877 18734 2224 1 5 . 1 1 99 99 GLU CB C 99 27.803 27.803 30.291 -2.489 18734 2225 1 5 . 1 1 99 99 GLU H H 99 8.532 8.532 8.384 0.148 18734 2226 1 6 . 1 1 2 2 SER HA H 2 4.373 4.373 4.806 -0.433 18734 2227 1 6 . 1 1 2 2 SER CA C 2 55.756 55.756 58.909 -3.153 18734 2228 1 6 . 1 1 2 2 SER CB C 2 61.143 61.143 63.861 -2.718 18734 2229 1 6 . 1 1 3 3 HIS HA H 3 4.613 4.613 4.619 -0.006 18734 2230 1 6 . 1 1 3 3 HIS CA C 3 52.991 52.991 55.376 -2.385 18734 2231 1 6 . 1 1 3 3 HIS CB C 3 26.607 26.607 30.409 -3.802 18734 2232 1 6 . 1 1 4 4 GLU N N 4 122.124 122.124 119.986 2.138 18734 2233 1 6 . 1 1 4 4 GLU HA H 4 4.171 4.171 4.439 -0.268 18734 2234 1 6 . 1 1 4 4 GLU CA C 4 54.441 54.441 55.395 -0.953 18734 2235 1 6 . 1 1 4 4 GLU CB C 4 27.585 27.585 30.896 -3.311 18734 2236 1 6 . 1 1 4 4 GLU H H 4 8.415 8.415 8.488 -0.073 18734 2237 1 6 . 1 1 5 5 GLY N N 5 110.434 110.434 109.153 1.281 18734 2238 1 6 . 1 1 5 5 GLY CA C 5 42.610 42.610 44.867 -2.257 18734 2239 1 6 . 1 1 5 5 GLY H H 5 8.488 8.488 8.306 0.182 18734 2240 1 6 . 1 1 6 6 GLU N N 6 121.376 121.376 121.837 -0.461 18734 2241 1 6 . 1 1 6 6 GLU HA H 6 4.560 4.560 4.473 0.087 18734 2242 1 6 . 1 1 6 6 GLU CA C 6 51.629 51.629 53.788 -2.159 18734 2243 1 6 . 1 1 6 6 GLU CB C 6 26.998 26.998 30.199 -3.201 18734 2244 1 6 . 1 1 6 6 GLU H H 6 7.954 7.954 8.238 -0.284 18734 2245 1 6 . 1 1 7 7 PRO HA H 7 4.464 4.464 4.555 -0.091 18734 2246 1 6 . 1 1 7 7 PRO CA C 7 60.517 60.517 62.643 -2.126 18734 2247 1 6 . 1 1 7 7 PRO CB C 7 29.486 29.486 30.786 -1.300 18734 2248 1 6 . 1 1 8 8 VAL N N 8 120.493 120.493 118.617 1.876 18734 2249 1 6 . 1 1 8 8 VAL HA H 8 4.387 4.387 4.175 0.212 18734 2250 1 6 . 1 1 8 8 VAL CA C 8 58.483 58.483 59.757 -1.274 18734 2251 1 6 . 1 1 8 8 VAL CB C 8 31.177 31.177 34.773 -3.596 18734 2252 1 6 . 1 1 8 8 VAL H H 8 8.177 8.177 7.377 0.800 18734 2253 1 6 . 1 1 9 9 VAL N N 9 124.516 124.516 121.010 3.506 18734 2254 1 6 . 1 1 9 9 VAL HA H 9 4.024 4.024 4.081 -0.057 18734 2255 1 6 . 1 1 9 9 VAL CA C 9 60.336 60.336 63.247 -2.911 18734 2256 1 6 . 1 1 9 9 VAL CB C 9 29.995 29.995 32.944 -2.949 18734 2257 1 6 . 1 1 9 9 VAL H H 9 8.246 8.246 8.586 -0.340 18734 2258 1 6 . 1 1 10 10 GLY N N 10 114.968 114.968 113.632 1.336 18734 2259 1 6 . 1 1 10 10 GLY CA C 10 42.318 42.318 46.087 -3.769 18734 2260 1 6 . 1 1 10 10 GLY H H 10 8.595 8.595 8.635 -0.040 18734 2261 1 6 . 1 1 11 11 MET N N 11 120.532 120.532 119.091 1.441 18734 2262 1 6 . 1 1 11 11 MET CA C 11 53.802 53.802 56.113 -2.311 18734 2263 1 6 . 1 1 11 11 MET CB C 11 30.698 30.698 34.761 -4.063 18734 2264 1 6 . 1 1 11 11 MET H H 11 8.320 8.320 7.943 0.377 18734 2265 1 6 . 1 1 12 12 ASP N N 12 120.515 120.515 121.911 -1.396 18734 2266 1 6 . 1 1 12 12 ASP HA H 12 4.637 4.637 4.755 -0.118 18734 2267 1 6 . 1 1 12 12 ASP CB C 12 38.090 38.090 41.561 -3.471 18734 2268 1 6 . 1 1 12 12 ASP H H 12 8.261 8.261 8.314 -0.053 18734 2269 1 6 . 1 1 13 13 LYS N N 13 123.685 123.685 124.497 -0.812 18734 2270 1 6 . 1 1 13 13 LYS HA H 13 4.623 4.623 4.503 0.120 18734 2271 1 6 . 1 1 13 13 LYS CA C 13 50.898 50.898 56.553 -5.655 18734 2272 1 6 . 1 1 13 13 LYS CB C 13 30.003 30.003 32.354 -2.351 18734 2273 1 6 . 1 1 13 13 LYS H H 13 8.579 8.579 8.775 -0.196 18734 2274 1 6 . 1 1 14 14 SER N N 14 115.048 115.048 111.941 3.107 18734 2275 1 6 . 1 1 14 14 SER HA H 14 4.447 4.447 4.593 -0.146 18734 2276 1 6 . 1 1 14 14 SER CA C 14 56.917 56.917 59.595 -2.678 18734 2277 1 6 . 1 1 14 14 SER CB C 14 61.536 61.536 62.966 -1.430 18734 2278 1 6 . 1 1 14 14 SER H H 14 8.507 8.507 8.298 0.209 18734 2279 1 6 . 1 1 15 15 LEU N N 15 119.294 119.294 121.163 -1.869 18734 2280 1 6 . 1 1 15 15 LEU HA H 15 3.989 3.989 4.553 -0.564 18734 2281 1 6 . 1 1 15 15 LEU CA C 15 53.219 53.219 54.581 -1.362 18734 2282 1 6 . 1 1 15 15 LEU CB C 15 39.813 39.813 41.511 -1.698 18734 2283 1 6 . 1 1 15 15 LEU H H 15 6.908 6.908 7.746 -0.838 18734 2284 1 6 . 1 1 16 16 PHE N N 16 117.103 117.103 120.661 -3.558 18734 2285 1 6 . 1 1 16 16 PHE HA H 16 4.397 4.397 4.402 -0.005 18734 2286 1 6 . 1 1 16 16 PHE CA C 16 56.719 56.719 59.987 -3.268 18734 2287 1 6 . 1 1 16 16 PHE CB C 16 37.917 37.917 38.665 -0.748 18734 2288 1 6 . 1 1 16 16 PHE H H 16 7.658 7.658 7.865 -0.207 18734 2289 1 6 . 1 1 17 17 ALA N N 17 120.694 120.694 120.689 0.005 18734 2290 1 6 . 1 1 17 17 ALA HA H 17 3.964 3.964 4.331 -0.367 18734 2291 1 6 . 1 1 17 17 ALA CA C 17 51.840 51.840 52.812 -0.972 18734 2292 1 6 . 1 1 17 17 ALA CB C 17 15.004 15.004 17.284 -2.280 18734 2293 1 6 . 1 1 17 17 ALA H H 17 7.514 7.514 8.447 -0.933 18734 2294 1 6 . 1 1 18 18 GLY N N 18 110.007 110.007 110.886 -0.879 18734 2295 1 6 . 1 1 18 18 GLY CA C 18 43.150 43.150 45.099 -1.949 18734 2296 1 6 . 1 1 18 18 GLY H H 18 8.204 8.204 8.108 0.096 18734 2297 1 6 . 1 1 19 19 ASN N N 19 119.323 119.323 121.039 -1.716 18734 2298 1 6 . 1 1 19 19 ASN HA H 19 4.733 4.733 5.084 -0.351 18734 2299 1 6 . 1 1 19 19 ASN CB C 19 36.020 36.020 39.808 -3.788 18734 2300 1 6 . 1 1 19 19 ASN H H 19 8.124 8.124 7.804 0.320 18734 2301 1 6 . 1 1 20 20 THR N N 20 116.844 116.844 115.976 0.868 18734 2302 1 6 . 1 1 20 20 THR HA H 20 4.243 4.243 4.298 -0.055 18734 2303 1 6 . 1 1 20 20 THR CA C 20 60.224 60.224 63.329 -3.105 18734 2304 1 6 . 1 1 20 20 THR CB C 20 66.167 66.167 68.968 -2.801 18734 2305 1 6 . 1 1 20 20 THR H H 20 8.400 8.400 8.906 -0.506 18734 2306 1 6 . 1 1 21 21 VAL N N 21 117.661 117.661 119.906 -2.245 18734 2307 1 6 . 1 1 21 21 VAL HA H 21 4.161 4.161 4.144 0.017 18734 2308 1 6 . 1 1 21 21 VAL CA C 21 59.739 59.739 62.111 -2.372 18734 2309 1 6 . 1 1 21 21 VAL CB C 21 31.224 31.224 33.168 -1.944 18734 2310 1 6 . 1 1 21 21 VAL H H 21 8.412 8.412 8.470 -0.058 18734 2311 1 6 . 1 1 22 22 ILE N N 22 120.465 120.465 123.022 -2.557 18734 2312 1 6 . 1 1 22 22 ILE HA H 22 3.873 3.873 3.969 -0.096 18734 2313 1 6 . 1 1 22 22 ILE CA C 22 59.860 59.860 62.014 -2.154 18734 2314 1 6 . 1 1 22 22 ILE CB C 22 37.052 37.052 37.510 -0.458 18734 2315 1 6 . 1 1 22 22 ILE H H 22 7.300 7.300 7.788 -0.488 18734 2316 1 6 . 1 1 23 23 ARG N N 23 122.168 122.168 127.085 -4.917 18734 2317 1 6 . 1 1 23 23 ARG HA H 23 4.940 4.940 4.552 0.388 18734 2318 1 6 . 1 1 23 23 ARG CA C 23 54.175 54.175 56.712 -2.537 18734 2319 1 6 . 1 1 23 23 ARG CB C 23 30.921 30.921 30.875 0.046 18734 2320 1 6 . 1 1 23 23 ARG H H 23 8.328 8.328 8.399 -0.071 18734 2321 1 6 . 1 1 24 24 GLU N N 24 117.968 117.968 117.813 0.155 18734 2322 1 6 . 1 1 24 24 GLU HA H 24 5.100 5.100 4.908 0.192 18734 2323 1 6 . 1 1 24 24 GLU CA C 24 51.948 51.948 55.144 -3.196 18734 2324 1 6 . 1 1 24 24 GLU CB C 24 30.737 30.737 33.664 -2.927 18734 2325 1 6 . 1 1 24 24 GLU H H 24 7.474 7.474 7.671 -0.197 18734 2326 1 6 . 1 1 25 25 ILE N N 25 121.135 121.135 122.972 -1.837 18734 2327 1 6 . 1 1 25 25 ILE HA H 25 4.205 4.205 4.582 -0.377 18734 2328 1 6 . 1 1 25 25 ILE CA C 25 57.149 57.149 59.642 -2.493 18734 2329 1 6 . 1 1 25 25 ILE CB C 25 39.882 39.882 41.157 -1.275 18734 2330 1 6 . 1 1 25 25 ILE H H 25 7.591 7.591 8.066 -0.475 18734 2331 1 6 . 1 1 26 26 THR N N 26 122.935 122.935 123.237 -0.302 18734 2332 1 6 . 1 1 26 26 THR HA H 26 4.999 4.999 4.689 0.310 18734 2333 1 6 . 1 1 26 26 THR CA C 26 59.185 59.185 62.437 -3.252 18734 2334 1 6 . 1 1 26 26 THR CB C 26 67.259 67.259 69.229 -1.970 18734 2335 1 6 . 1 1 26 26 THR H H 26 8.243 8.243 8.498 -0.255 18734 2336 1 6 . 1 1 27 27 VAL N N 27 124.220 124.220 123.090 1.130 18734 2337 1 6 . 1 1 27 27 VAL HA H 27 4.421 4.421 4.485 -0.064 18734 2338 1 6 . 1 1 27 27 VAL CA C 27 58.144 58.144 60.225 -2.081 18734 2339 1 6 . 1 1 27 27 VAL CB C 27 30.727 30.727 35.118 -4.391 18734 2340 1 6 . 1 1 27 27 VAL H H 27 9.216 9.216 8.856 0.360 18734 2341 1 6 . 1 1 28 28 GLN N N 28 129.280 129.280 123.827 5.453 18734 2342 1 6 . 1 1 28 28 GLN HA H 28 4.702 4.702 5.271 -0.569 18734 2343 1 6 . 1 1 28 28 GLN CB C 28 25.480 25.480 29.200 -3.720 18734 2344 1 6 . 1 1 28 28 GLN H H 28 8.782 8.782 8.676 0.106 18734 2345 1 6 . 1 1 29 29 PRO HA H 29 3.457 3.457 3.123 0.334 18734 2346 1 6 . 1 1 29 29 PRO CA C 29 60.712 60.712 62.405 -1.693 18734 2347 1 6 . 1 1 29 29 PRO CB C 29 30.122 30.122 32.126 -2.004 18734 2348 1 6 . 1 1 30 30 ASN N N 30 113.396 113.396 114.387 -0.991 18734 2349 1 6 . 1 1 30 30 ASN HA H 30 4.329 4.329 4.185 0.144 18734 2350 1 6 . 1 1 30 30 ASN CA C 30 51.999 51.999 54.674 -2.675 18734 2351 1 6 . 1 1 30 30 ASN CB C 30 34.627 34.627 36.727 -2.100 18734 2352 1 6 . 1 1 30 30 ASN H H 30 8.199 8.199 8.483 -0.284 18734 2353 1 6 . 1 1 31 31 ILE N N 31 115.907 115.907 119.382 -3.475 18734 2354 1 6 . 1 1 31 31 ILE HA H 31 4.395 4.395 4.340 0.055 18734 2355 1 6 . 1 1 31 31 ILE CA C 31 57.434 57.434 60.423 -2.989 18734 2356 1 6 . 1 1 31 31 ILE CB C 31 36.859 36.859 38.447 -1.588 18734 2357 1 6 . 1 1 31 31 ILE H H 31 8.201 8.201 7.767 0.434 18734 2358 1 6 . 1 1 32 32 GLY N N 32 111.217 111.217 111.594 -0.377 18734 2359 1 6 . 1 1 32 32 GLY CA C 32 41.729 41.729 44.439 -2.710 18734 2360 1 6 . 1 1 32 32 GLY H H 32 7.998 7.998 8.051 -0.053 18734 2361 1 6 . 1 1 33 33 LEU N N 33 120.007 120.007 121.444 -1.437 18734 2362 1 6 . 1 1 33 33 LEU HA H 33 3.880 3.880 4.528 -0.648 18734 2363 1 6 . 1 1 33 33 LEU CA C 33 53.595 53.595 55.376 -1.780 18734 2364 1 6 . 1 1 33 33 LEU CB C 33 40.528 40.528 42.895 -2.367 18734 2365 1 6 . 1 1 33 33 LEU H H 33 7.820 7.820 8.248 -0.428 18734 2366 1 6 . 1 1 34 34 LEU N N 34 128.106 128.106 121.071 7.035 18734 2367 1 6 . 1 1 34 34 LEU HA H 34 4.485 4.485 4.517 -0.032 18734 2368 1 6 . 1 1 34 34 LEU CA C 34 51.078 51.078 53.228 -2.150 18734 2369 1 6 . 1 1 34 34 LEU CB C 34 37.447 37.447 41.603 -4.156 18734 2370 1 6 . 1 1 34 34 LEU H H 34 8.551 8.551 8.350 0.201 18734 2371 1 6 . 1 1 35 35 TYR N N 35 121.473 121.473 119.051 2.422 18734 2372 1 6 . 1 1 35 35 TYR HA H 35 4.240 4.240 5.084 -0.844 18734 2373 1 6 . 1 1 35 35 TYR CA C 35 53.814 53.814 54.649 -0.835 18734 2374 1 6 . 1 1 35 35 TYR CB C 35 36.868 36.868 39.494 -2.626 18734 2375 1 6 . 1 1 35 35 TYR H H 35 6.363 6.363 7.566 -1.203 18734 2376 1 6 . 1 1 36 36 ASP N N 36 119.590 119.590 121.532 -1.942 18734 2377 1 6 . 1 1 36 36 ASP HA H 36 3.980 3.980 4.536 -0.556 18734 2378 1 6 . 1 1 36 36 ASP CA C 36 52.760 52.760 55.090 -2.330 18734 2379 1 6 . 1 1 36 36 ASP CB C 36 37.119 37.119 40.642 -3.523 18734 2380 1 6 . 1 1 36 36 ASP H H 36 8.573 8.573 8.389 0.184 18734 2381 1 6 . 1 1 37 37 GLY N N 37 108.636 108.636 113.025 -4.389 18734 2382 1 6 . 1 1 37 37 GLY CA C 37 44.335 44.335 45.104 -0.769 18734 2383 1 6 . 1 1 37 37 GLY H H 37 7.903 7.903 8.673 -0.770 18734 2384 1 6 . 1 1 38 38 MET N N 38 120.339 120.339 119.450 0.889 18734 2385 1 6 . 1 1 38 38 MET HA H 38 3.631 3.631 3.661 -0.030 18734 2386 1 6 . 1 1 38 38 MET CA C 38 56.101 56.101 58.323 -2.222 18734 2387 1 6 . 1 1 38 38 MET CB C 38 29.166 29.166 31.987 -2.821 18734 2388 1 6 . 1 1 38 38 MET H H 38 7.873 7.873 7.254 0.619 18734 2389 1 6 . 1 1 39 39 PHE N N 39 115.430 115.430 113.059 2.371 18734 2390 1 6 . 1 1 39 39 PHE HA H 39 4.908 4.908 4.791 0.117 18734 2391 1 6 . 1 1 39 39 PHE CA C 39 52.898 52.898 55.533 -2.635 18734 2392 1 6 . 1 1 39 39 PHE CB C 39 36.647 36.647 37.794 -1.147 18734 2393 1 6 . 1 1 39 39 PHE H H 39 8.504 8.504 7.699 0.805 18734 2394 1 6 . 1 1 40 40 SER N N 40 113.647 113.647 116.930 -3.283 18734 2395 1 6 . 1 1 40 40 SER HA H 40 4.238 4.238 4.312 -0.074 18734 2396 1 6 . 1 1 40 40 SER CA C 40 56.954 56.954 60.056 -3.102 18734 2397 1 6 . 1 1 40 40 SER CB C 40 60.458 60.458 62.424 -1.966 18734 2398 1 6 . 1 1 40 40 SER H H 40 7.264 7.264 7.709 -0.445 18734 2399 1 6 . 1 1 41 41 GLY N N 41 115.225 115.225 116.072 -0.847 18734 2400 1 6 . 1 1 41 41 GLY CA C 41 42.941 42.941 45.270 -2.329 18734 2401 1 6 . 1 1 41 41 GLY H H 41 9.110 9.110 8.588 0.522 18734 2402 1 6 . 1 1 42 42 CYS N N 42 120.385 120.385 122.139 -1.754 18734 2403 1 6 . 1 1 42 42 CYS HA H 42 4.761 4.761 4.656 0.105 18734 2404 1 6 . 1 1 42 42 CYS CB C 42 23.867 23.867 25.371 -1.504 18734 2405 1 6 . 1 1 42 42 CYS H H 42 7.929 7.929 8.320 -0.391 18734 2406 1 6 . 1 1 43 43 THR N N 43 113.920 113.920 114.635 -0.715 18734 2407 1 6 . 1 1 43 43 THR HA H 43 3.863 3.863 4.272 -0.409 18734 2408 1 6 . 1 1 43 43 THR CA C 43 61.663 61.663 64.350 -2.687 18734 2409 1 6 . 1 1 43 43 THR CB C 43 66.027 66.027 68.561 -2.534 18734 2410 1 6 . 1 1 43 43 THR H H 43 7.495 7.495 8.470 -0.976 18734 2411 1 6 . 1 1 44 44 ALA N N 44 123.479 123.479 122.885 0.594 18734 2412 1 6 . 1 1 44 44 ALA HA H 44 4.477 4.477 4.625 -0.148 18734 2413 1 6 . 1 1 44 44 ALA CA C 44 48.198 48.198 50.710 -2.512 18734 2414 1 6 . 1 1 44 44 ALA CB C 44 17.096 17.096 19.832 -2.736 18734 2415 1 6 . 1 1 44 44 ALA H H 44 8.551 8.551 7.719 0.832 18734 2416 1 6 . 1 1 45 45 LEU N N 45 121.070 121.070 121.117 -0.047 18734 2417 1 6 . 1 1 45 45 LEU HA H 45 3.981 3.981 4.389 -0.408 18734 2418 1 6 . 1 1 45 45 LEU CA C 45 53.838 53.838 55.495 -1.657 18734 2419 1 6 . 1 1 45 45 LEU CB C 45 40.243 40.243 42.191 -1.948 18734 2420 1 6 . 1 1 45 45 LEU H H 45 6.819 6.819 7.725 -0.906 18734 2421 1 6 . 1 1 46 46 GLU N N 46 128.627 128.627 125.591 3.036 18734 2422 1 6 . 1 1 46 46 GLU HA H 46 4.511 4.511 4.608 -0.097 18734 2423 1 6 . 1 1 46 46 GLU CA C 46 54.357 54.357 56.216 -1.859 18734 2424 1 6 . 1 1 46 46 GLU CB C 46 29.883 29.883 32.180 -2.297 18734 2425 1 6 . 1 1 46 46 GLU H H 46 9.401 9.401 8.332 1.069 18734 2426 1 6 . 1 1 47 47 LYS N N 47 116.297 116.297 119.562 -3.265 18734 2427 1 6 . 1 1 47 47 LYS HA H 47 5.128 5.128 4.854 0.274 18734 2428 1 6 . 1 1 47 47 LYS CA C 47 52.808 52.808 55.367 -2.559 18734 2429 1 6 . 1 1 47 47 LYS CB C 47 35.325 35.325 37.154 -1.829 18734 2430 1 6 . 1 1 47 47 LYS H H 47 7.171 7.171 8.218 -1.047 18734 2431 1 6 . 1 1 48 48 LEU N N 48 125.474 125.474 124.441 1.033 18734 2432 1 6 . 1 1 48 48 LEU HA H 48 4.403 4.403 4.811 -0.408 18734 2433 1 6 . 1 1 48 48 LEU CA C 48 50.489 50.489 54.942 -4.453 18734 2434 1 6 . 1 1 48 48 LEU CB C 48 41.991 41.991 44.873 -2.882 18734 2435 1 6 . 1 1 48 48 LEU H H 48 8.715 8.715 8.074 0.641 18734 2436 1 6 . 1 1 49 49 ILE N N 49 127.246 127.246 126.216 1.030 18734 2437 1 6 . 1 1 49 49 ILE HA H 49 4.145 4.145 4.685 -0.540 18734 2438 1 6 . 1 1 49 49 ILE CA C 49 58.314 58.314 60.370 -2.056 18734 2439 1 6 . 1 1 49 49 ILE CB C 49 36.125 36.125 39.589 -3.464 18734 2440 1 6 . 1 1 49 49 ILE H H 49 9.131 9.131 9.042 0.089 18734 2441 1 6 . 1 1 50 50 LEU N N 50 128.685 128.685 125.732 2.953 18734 2442 1 6 . 1 1 50 50 LEU HA H 50 4.417 4.417 5.301 -0.884 18734 2443 1 6 . 1 1 50 50 LEU CA C 50 50.414 50.414 53.575 -3.161 18734 2444 1 6 . 1 1 50 50 LEU CB C 50 36.390 36.390 44.270 -7.880 18734 2445 1 6 . 1 1 50 50 LEU H H 50 8.553 8.553 8.416 0.137 18734 2446 1 6 . 1 1 51 51 THR N N 51 109.751 109.751 113.026 -3.275 18734 2447 1 6 . 1 1 51 51 THR HA H 51 3.935 3.935 4.706 -0.771 18734 2448 1 6 . 1 1 51 51 THR CA C 51 60.194 60.194 61.025 -0.831 18734 2449 1 6 . 1 1 51 51 THR CB C 51 66.107 66.107 68.832 -2.724 18734 2450 1 6 . 1 1 51 51 THR H H 51 6.964 6.964 8.978 -2.014 18734 2451 1 6 . 1 1 52 52 GLY N N 52 108.656 108.656 109.886 -1.230 18734 2452 1 6 . 1 1 52 52 GLY CA C 52 42.432 42.432 44.473 -2.041 18734 2453 1 6 . 1 1 52 52 GLY H H 52 8.409 8.409 7.934 0.475 18734 2454 1 6 . 1 1 53 53 GLU N N 53 119.733 119.733 121.582 -1.849 18734 2455 1 6 . 1 1 53 53 GLU HA H 53 4.061 4.061 4.275 -0.214 18734 2456 1 6 . 1 1 53 53 GLU CA C 53 54.296 54.296 57.094 -2.798 18734 2457 1 6 . 1 1 53 53 GLU CB C 53 27.425 27.425 29.992 -2.567 18734 2458 1 6 . 1 1 53 53 GLU H H 53 8.741 8.741 9.014 -0.273 18734 2459 1 6 . 1 1 54 54 ASP N N 54 118.231 118.231 115.540 2.691 18734 2460 1 6 . 1 1 54 54 ASP HA H 54 5.035 5.035 4.635 0.400 18734 2461 1 6 . 1 1 54 54 ASP CA C 54 46.882 46.882 51.241 -4.359 18734 2462 1 6 . 1 1 54 54 ASP CB C 54 39.822 39.822 43.738 -3.916 18734 2463 1 6 . 1 1 54 54 ASP H H 54 8.309 8.309 7.877 0.432 18734 2464 1 6 . 1 1 55 55 PRO HA H 55 3.920 3.920 3.942 -0.022 18734 2465 1 6 . 1 1 55 55 PRO CA C 55 61.140 61.140 64.342 -3.202 18734 2466 1 6 . 1 1 55 55 PRO CB C 55 30.606 30.606 32.353 -1.747 18734 2467 1 6 . 1 1 56 56 SER N N 56 108.966 108.966 115.020 -6.054 18734 2468 1 6 . 1 1 56 56 SER HA H 56 4.494 4.494 4.461 0.033 18734 2469 1 6 . 1 1 56 56 SER CA C 56 57.752 57.752 59.752 -2.001 18734 2470 1 6 . 1 1 56 56 SER CB C 56 60.574 60.574 63.127 -2.553 18734 2471 1 6 . 1 1 56 56 SER H H 56 7.998 7.998 8.227 -0.229 18734 2472 1 6 . 1 1 57 57 ALA N N 57 123.346 123.346 122.470 0.876 18734 2473 1 6 . 1 1 57 57 ALA HA H 57 4.197 4.197 4.375 -0.178 18734 2474 1 6 . 1 1 57 57 ALA CA C 57 49.452 49.452 52.940 -3.488 18734 2475 1 6 . 1 1 57 57 ALA CB C 57 17.341 17.341 19.597 -2.256 18734 2476 1 6 . 1 1 57 57 ALA H H 57 7.770 7.770 7.578 0.192 18734 2477 1 6 . 1 1 58 58 TYR N N 58 118.640 118.640 118.543 0.097 18734 2478 1 6 . 1 1 58 58 TYR HA H 58 4.844 4.844 4.704 0.140 18734 2479 1 6 . 1 1 58 58 TYR CA C 58 54.841 54.841 58.655 -3.814 18734 2480 1 6 . 1 1 58 58 TYR CB C 58 39.626 39.626 40.769 -1.143 18734 2481 1 6 . 1 1 58 58 TYR H H 58 7.878 7.878 7.944 -0.066 18734 2482 1 6 . 1 1 59 59 SER N N 59 118.841 118.841 116.655 2.186 18734 2483 1 6 . 1 1 59 59 SER HA H 59 4.584 4.584 4.692 -0.108 18734 2484 1 6 . 1 1 59 59 SER CA C 59 54.332 54.332 57.150 -2.818 18734 2485 1 6 . 1 1 59 59 SER CB C 59 62.866 62.866 65.306 -2.440 18734 2486 1 6 . 1 1 59 59 SER H H 59 9.289 9.289 8.850 0.439 18734 2487 1 6 . 1 1 60 60 ALA N N 60 125.034 125.034 121.760 3.274 18734 2488 1 6 . 1 1 60 60 ALA HA H 60 4.726 4.726 4.228 0.498 18734 2489 1 6 . 1 1 60 60 ALA CB C 60 20.233 20.233 18.893 1.340 18734 2490 1 6 . 1 1 60 60 ALA H H 60 7.473 7.473 8.295 -0.822 18734 2491 1 6 . 1 1 61 61 GLY N N 61 109.267 109.267 107.777 1.490 18734 2492 1 6 . 1 1 61 61 GLY CA C 61 41.504 41.504 45.038 -3.534 18734 2493 1 6 . 1 1 61 61 GLY H H 61 9.368 9.368 8.746 0.622 18734 2494 1 6 . 1 1 62 62 ASP N N 62 121.898 121.898 120.627 1.271 18734 2495 1 6 . 1 1 62 62 ASP HA H 62 4.673 4.673 4.437 0.236 18734 2496 1 6 . 1 1 62 62 ASP CB C 62 38.468 38.468 41.068 -2.600 18734 2497 1 6 . 1 1 62 62 ASP H H 62 9.236 9.236 8.133 1.103 18734 2498 1 6 . 1 1 63 63 GLY N N 63 111.438 111.438 106.750 4.688 18734 2499 1 6 . 1 1 63 63 GLY CA C 63 43.099 43.099 44.762 -1.663 18734 2500 1 6 . 1 1 63 63 GLY H H 63 8.774 8.774 7.867 0.907 18734 2501 1 6 . 1 1 64 64 LEU N N 64 125.900 125.900 124.271 1.629 18734 2502 1 6 . 1 1 64 64 LEU HA H 64 4.169 4.169 4.140 0.029 18734 2503 1 6 . 1 1 64 64 LEU CA C 64 56.103 56.103 57.251 -1.148 18734 2504 1 6 . 1 1 64 64 LEU CB C 64 40.431 40.431 42.338 -1.907 18734 2505 1 6 . 1 1 64 64 LEU H H 64 7.483 7.483 8.460 -0.977 18734 2506 1 6 . 1 1 65 65 ARG N N 65 111.696 111.696 115.261 -3.565 18734 2507 1 6 . 1 1 65 65 ARG HA H 65 4.057 4.057 4.275 -0.218 18734 2508 1 6 . 1 1 65 65 ARG CA C 65 51.787 51.787 56.147 -4.360 18734 2509 1 6 . 1 1 65 65 ARG CB C 65 26.474 26.474 29.762 -3.288 18734 2510 1 6 . 1 1 65 65 ARG H H 65 8.071 8.071 7.323 0.748 18734 2511 1 6 . 1 1 66 66 ASP N N 66 120.559 120.559 120.995 -0.436 18734 2512 1 6 . 1 1 66 66 ASP HA H 66 4.121 4.121 4.332 -0.211 18734 2513 1 6 . 1 1 66 66 ASP CA C 66 53.462 53.462 56.654 -3.192 18734 2514 1 6 . 1 1 66 66 ASP CB C 66 37.557 37.557 41.222 -3.666 18734 2515 1 6 . 1 1 66 66 ASP H H 66 7.293 7.293 7.530 -0.237 18734 2516 1 6 . 1 1 67 67 GLY N N 67 110.131 110.131 112.170 -2.039 18734 2517 1 6 . 1 1 67 67 GLY CA C 67 43.985 43.985 45.048 -1.063 18734 2518 1 6 . 1 1 67 67 GLY H H 67 8.695 8.695 8.578 0.117 18734 2519 1 6 . 1 1 68 68 ALA N N 68 123.462 123.462 122.146 1.316 18734 2520 1 6 . 1 1 68 68 ALA HA H 68 4.385 4.385 4.834 -0.449 18734 2521 1 6 . 1 1 68 68 ALA CA C 68 49.065 49.065 51.730 -2.664 18734 2522 1 6 . 1 1 68 68 ALA CB C 68 19.402 19.402 22.058 -2.656 18734 2523 1 6 . 1 1 68 68 ALA H H 68 8.058 8.058 8.127 -0.069 18734 2524 1 6 . 1 1 69 69 ASP N N 69 116.343 116.343 119.498 -3.155 18734 2525 1 6 . 1 1 69 69 ASP HA H 69 4.524 4.524 4.631 -0.107 18734 2526 1 6 . 1 1 69 69 ASP CA C 69 51.240 51.240 53.496 -2.256 18734 2527 1 6 . 1 1 69 69 ASP CB C 69 39.076 39.076 42.334 -3.258 18734 2528 1 6 . 1 1 69 69 ASP H H 69 8.721 8.721 8.675 0.046 18734 2529 1 6 . 1 1 70 70 PHE N N 70 113.658 113.658 117.913 -4.255 18734 2530 1 6 . 1 1 70 70 PHE HA H 70 4.648 4.648 5.069 -0.421 18734 2531 1 6 . 1 1 70 70 PHE CA C 70 52.114 52.114 55.930 -3.816 18734 2532 1 6 . 1 1 70 70 PHE CB C 70 38.375 38.375 40.203 -1.828 18734 2533 1 6 . 1 1 70 70 PHE H H 70 5.865 5.865 7.143 -1.278 18734 2534 1 6 . 1 1 71 71 LEU N N 71 119.766 119.766 119.812 -0.046 18734 2535 1 6 . 1 1 71 71 LEU HA H 71 4.915 4.915 4.754 0.161 18734 2536 1 6 . 1 1 71 71 LEU CA C 71 50.797 50.797 53.665 -2.868 18734 2537 1 6 . 1 1 71 71 LEU CB C 71 41.482 41.482 45.541 -4.059 18734 2538 1 6 . 1 1 71 71 LEU H H 71 7.964 7.964 8.197 -0.233 18734 2539 1 6 . 1 1 72 72 ILE N N 72 123.675 123.675 120.424 3.251 18734 2540 1 6 . 1 1 72 72 ILE HA H 72 4.728 4.728 4.743 -0.015 18734 2541 1 6 . 1 1 72 72 ILE CB C 72 36.921 36.921 41.432 -4.511 18734 2542 1 6 . 1 1 72 72 ILE H H 72 9.073 9.073 8.683 0.390 18734 2543 1 6 . 1 1 73 73 CYS N N 73 125.409 125.409 125.226 0.183 18734 2544 1 6 . 1 1 73 73 CYS HA H 73 5.534 5.534 5.569 -0.035 18734 2545 1 6 . 1 1 73 73 CYS CA C 73 54.056 54.056 57.222 -3.166 18734 2546 1 6 . 1 1 73 73 CYS CB C 73 27.753 27.753 30.618 -2.865 18734 2547 1 6 . 1 1 73 73 CYS H H 73 9.060 9.060 8.769 0.291 18734 2548 1 6 . 1 1 74 74 VAL N N 74 114.408 114.408 119.053 -4.645 18734 2549 1 6 . 1 1 74 74 VAL HA H 74 4.951 4.951 4.871 0.080 18734 2550 1 6 . 1 1 74 74 VAL CA C 74 54.229 54.229 57.685 -3.456 18734 2551 1 6 . 1 1 74 74 VAL CB C 74 29.675 29.675 34.426 -4.751 18734 2552 1 6 . 1 1 74 74 VAL H H 74 7.938 7.938 8.484 -0.546 18734 2553 1 6 . 1 1 75 75 PRO HA H 75 4.283 4.283 4.687 -0.404 18734 2554 1 6 . 1 1 75 75 PRO CA C 75 60.889 60.889 62.248 -1.359 18734 2555 1 6 . 1 1 75 75 PRO CB C 75 29.499 29.499 33.057 -3.558 18734 2556 1 6 . 1 1 76 76 GLU N N 76 126.159 126.159 121.184 4.975 18734 2557 1 6 . 1 1 76 76 GLU HA H 76 3.664 3.664 3.860 -0.196 18734 2558 1 6 . 1 1 76 76 GLU CA C 76 58.112 58.112 60.003 -1.891 18734 2559 1 6 . 1 1 76 76 GLU CB C 76 26.894 26.894 28.972 -2.078 18734 2560 1 6 . 1 1 76 76 GLU H H 76 9.130 9.130 8.922 0.208 18734 2561 1 6 . 1 1 77 77 GLU N N 77 117.145 117.145 118.545 -1.400 18734 2562 1 6 . 1 1 77 77 GLU HA H 77 4.100 4.100 4.118 -0.018 18734 2563 1 6 . 1 1 77 77 GLU CA C 77 55.734 55.734 58.091 -2.357 18734 2564 1 6 . 1 1 77 77 GLU CB C 77 26.315 26.315 29.538 -3.223 18734 2565 1 6 . 1 1 77 77 GLU H H 77 9.350 9.350 8.611 0.739 18734 2566 1 6 . 1 1 78 78 ALA N N 78 120.398 120.398 119.959 0.439 18734 2567 1 6 . 1 1 78 78 ALA HA H 78 4.699 4.699 4.476 0.223 18734 2568 1 6 . 1 1 78 78 ALA CB C 78 18.962 18.962 19.339 -0.377 18734 2569 1 6 . 1 1 78 78 ALA H H 78 8.044 8.044 7.745 0.299 18734 2570 1 6 . 1 1 79 79 LEU N N 79 122.497 122.497 121.747 0.750 18734 2571 1 6 . 1 1 79 79 LEU HA H 79 3.710 3.710 3.973 -0.263 18734 2572 1 6 . 1 1 79 79 LEU CA C 79 56.837 56.837 58.532 -1.696 18734 2573 1 6 . 1 1 79 79 LEU CB C 79 40.952 40.952 41.902 -0.950 18734 2574 1 6 . 1 1 79 79 LEU H H 79 7.331 7.331 7.965 -0.634 18734 2575 1 6 . 1 1 80 80 ASP N N 80 116.432 116.432 117.339 -0.907 18734 2576 1 6 . 1 1 80 80 ASP HA H 80 4.357 4.357 4.372 -0.015 18734 2577 1 6 . 1 1 80 80 ASP CA C 80 54.751 54.751 57.353 -2.602 18734 2578 1 6 . 1 1 80 80 ASP CB C 80 38.534 38.534 40.959 -2.425 18734 2579 1 6 . 1 1 80 80 ASP H H 80 8.305 8.305 8.236 0.069 18734 2580 1 6 . 1 1 81 81 ARG N N 81 119.433 119.433 120.151 -0.718 18734 2581 1 6 . 1 1 81 81 ARG HA H 81 3.894 3.894 3.976 -0.082 18734 2582 1 6 . 1 1 81 81 ARG CA C 81 56.473 56.473 59.311 -2.838 18734 2583 1 6 . 1 1 81 81 ARG CB C 81 27.481 27.481 29.952 -2.471 18734 2584 1 6 . 1 1 81 81 ARG H H 81 7.638 7.638 7.395 0.243 18734 2585 1 6 . 1 1 82 82 TYR N N 82 116.397 116.397 117.602 -1.205 18734 2586 1 6 . 1 1 82 82 TYR HA H 82 3.830 3.830 4.276 -0.446 18734 2587 1 6 . 1 1 82 82 TYR CA C 82 61.170 61.170 61.201 -0.031 18734 2588 1 6 . 1 1 82 82 TYR CB C 82 37.031 37.031 37.871 -0.840 18734 2589 1 6 . 1 1 82 82 TYR H H 82 8.198 8.198 7.971 0.227 18734 2590 1 6 . 1 1 83 83 ARG N N 83 113.114 113.114 116.174 -3.060 18734 2591 1 6 . 1 1 83 83 ARG HA H 83 3.728 3.728 4.251 -0.523 18734 2592 1 6 . 1 1 83 83 ARG CA C 83 58.115 58.115 58.510 -0.395 18734 2593 1 6 . 1 1 83 83 ARG CB C 83 28.107 28.107 30.423 -2.316 18734 2594 1 6 . 1 1 83 83 ARG H H 83 8.151 8.151 7.677 0.474 18734 2595 1 6 . 1 1 84 84 ARG N N 84 111.791 111.791 116.910 -5.119 18734 2596 1 6 . 1 1 84 84 ARG HA H 84 4.386 4.386 4.506 -0.120 18734 2597 1 6 . 1 1 84 84 ARG CA C 84 52.335 52.335 55.766 -3.431 18734 2598 1 6 . 1 1 84 84 ARG CB C 84 27.987 27.987 30.739 -2.752 18734 2599 1 6 . 1 1 84 84 ARG H H 84 7.571 7.571 7.553 0.018 18734 2600 1 6 . 1 1 85 85 ASP N N 85 123.157 123.157 120.929 2.228 18734 2601 1 6 . 1 1 85 85 ASP HA H 85 4.373 4.373 4.646 -0.273 18734 2602 1 6 . 1 1 85 85 ASP CA C 85 52.852 52.852 55.117 -2.265 18734 2603 1 6 . 1 1 85 85 ASP CB C 85 42.482 42.482 42.385 0.097 18734 2604 1 6 . 1 1 85 85 ASP H H 85 7.200 7.200 7.493 -0.293 18734 2605 1 6 . 1 1 86 86 TYR N N 86 123.389 123.389 126.229 -2.840 18734 2606 1 6 . 1 1 86 86 TYR HA H 86 4.092 4.092 4.307 -0.215 18734 2607 1 6 . 1 1 86 86 TYR CA C 86 58.674 58.674 61.570 -2.896 18734 2608 1 6 . 1 1 86 86 TYR CB C 86 35.801 35.801 38.932 -3.131 18734 2609 1 6 . 1 1 86 86 TYR H H 86 8.440 8.440 9.098 -0.658 18734 2610 1 6 . 1 1 87 87 PHE N N 87 117.092 117.092 118.928 -1.836 18734 2611 1 6 . 1 1 87 87 PHE HA H 87 4.378 4.378 4.241 0.137 18734 2612 1 6 . 1 1 87 87 PHE CA C 87 57.433 57.433 59.488 -2.055 18734 2613 1 6 . 1 1 87 87 PHE CB C 87 37.442 37.442 39.446 -2.004 18734 2614 1 6 . 1 1 87 87 PHE H H 87 7.931 7.931 8.631 -0.700 18734 2615 1 6 . 1 1 88 88 TRP N N 88 121.396 121.396 119.237 2.159 18734 2616 1 6 . 1 1 88 88 TRP HA H 88 3.798 3.798 4.003 -0.205 18734 2617 1 6 . 1 1 88 88 TRP CA C 88 59.544 59.544 60.645 -1.101 18734 2618 1 6 . 1 1 88 88 TRP CB C 88 26.293 26.293 29.146 -2.853 18734 2619 1 6 . 1 1 88 88 TRP H H 88 9.757 9.757 8.877 0.880 18734 2620 1 6 . 1 1 89 89 GLN N N 89 117.760 117.760 120.145 -2.385 18734 2621 1 6 . 1 1 89 89 GLN HA H 89 4.393 4.393 3.905 0.488 18734 2622 1 6 . 1 1 89 89 GLN CA C 89 55.882 55.882 59.246 -3.364 18734 2623 1 6 . 1 1 89 89 GLN CB C 89 30.198 30.198 28.114 2.084 18734 2624 1 6 . 1 1 89 89 GLN H H 89 8.490 8.490 7.814 0.676 18734 2625 1 6 . 1 1 90 90 THR N N 90 118.285 118.285 114.583 3.702 18734 2626 1 6 . 1 1 90 90 THR HA H 90 3.686 3.686 3.976 -0.290 18734 2627 1 6 . 1 1 90 90 THR CA C 90 62.770 62.770 65.530 -2.760 18734 2628 1 6 . 1 1 90 90 THR CB C 90 66.664 66.664 68.752 -2.088 18734 2629 1 6 . 1 1 90 90 THR H H 90 7.932 7.932 7.967 -0.035 18734 2630 1 6 . 1 1 91 91 TYR N N 91 118.448 118.448 119.177 -0.729 18734 2631 1 6 . 1 1 91 91 TYR HA H 91 4.975 4.975 4.885 0.090 18734 2632 1 6 . 1 1 91 91 TYR CA C 91 55.511 55.511 57.716 -2.205 18734 2633 1 6 . 1 1 91 91 TYR CB C 91 37.126 37.126 37.607 -0.481 18734 2634 1 6 . 1 1 91 91 TYR H H 91 8.009 8.009 7.553 0.456 18734 2635 1 6 . 1 1 92 92 ALA N N 92 122.351 122.351 123.863 -1.512 18734 2636 1 6 . 1 1 92 92 ALA HA H 92 3.843 3.843 4.135 -0.292 18734 2637 1 6 . 1 1 92 92 ALA CA C 92 54.108 54.108 54.560 -0.452 18734 2638 1 6 . 1 1 92 92 ALA CB C 92 16.505 16.505 18.122 -1.617 18734 2639 1 6 . 1 1 92 92 ALA H H 92 7.665 7.665 8.132 -0.467 18734 2640 1 6 . 1 1 93 93 ALA N N 93 117.548 117.548 119.896 -2.348 18734 2641 1 6 . 1 1 93 93 ALA HA H 93 3.702 3.702 3.924 -0.222 18734 2642 1 6 . 1 1 93 93 ALA CA C 93 51.371 51.371 53.057 -1.686 18734 2643 1 6 . 1 1 93 93 ALA CB C 93 14.292 14.292 17.982 -3.690 18734 2644 1 6 . 1 1 93 93 ALA H H 93 8.275 8.275 8.275 0.000 18734 2645 1 6 . 1 1 94 94 TRP N N 94 115.303 115.303 115.570 -0.267 18734 2646 1 6 . 1 1 94 94 TRP HA H 94 4.669 4.669 4.984 -0.315 18734 2647 1 6 . 1 1 94 94 TRP CB C 94 26.912 26.912 30.640 -3.728 18734 2648 1 6 . 1 1 94 94 TRP H H 94 8.203 8.203 7.974 0.229 18734 2649 1 6 . 1 1 95 95 ILE N N 95 120.680 120.680 121.717 -1.037 18734 2650 1 6 . 1 1 95 95 ILE HA H 95 5.325 5.325 4.315 1.010 18734 2651 1 6 . 1 1 95 95 ILE CA C 95 57.930 57.930 60.650 -2.720 18734 2652 1 6 . 1 1 95 95 ILE CB C 95 36.508 36.508 38.371 -1.863 18734 2653 1 6 . 1 1 95 95 ILE H H 95 7.153 7.153 7.414 -0.261 18734 2654 1 6 . 1 1 96 96 GLN N N 96 128.223 128.223 126.385 1.838 18734 2655 1 6 . 1 1 96 96 GLN HA H 96 4.691 4.691 5.032 -0.341 18734 2656 1 6 . 1 1 96 96 GLN CB C 96 28.885 28.885 29.416 -0.531 18734 2657 1 6 . 1 1 96 96 GLN H H 96 9.189 9.189 8.329 0.860 18734 2658 1 6 . 1 1 97 97 PRO HA H 97 4.833 4.833 4.876 -0.043 18734 2659 1 6 . 1 1 97 97 PRO CA C 97 59.122 59.122 62.368 -3.246 18734 2660 1 6 . 1 1 97 97 PRO CB C 97 29.515 29.515 32.667 -3.152 18734 2661 1 6 . 1 1 98 98 MET N N 98 120.815 120.815 119.601 1.214 18734 2662 1 6 . 1 1 98 98 MET HA H 98 4.116 4.116 4.434 -0.318 18734 2663 1 6 . 1 1 98 98 MET CA C 98 52.944 52.944 55.876 -2.932 18734 2664 1 6 . 1 1 98 98 MET CB C 98 30.981 30.981 33.256 -2.275 18734 2665 1 6 . 1 1 98 98 MET H H 98 8.551 8.551 8.158 0.393 18734 2666 1 6 . 1 1 99 99 GLU N N 99 124.677 124.677 119.909 4.768 18734 2667 1 6 . 1 1 99 99 GLU HA H 99 4.220 4.220 4.507 -0.287 18734 2668 1 6 . 1 1 99 99 GLU CA C 99 53.952 53.952 55.672 -1.720 18734 2669 1 6 . 1 1 99 99 GLU CB C 99 27.803 27.803 30.134 -2.331 18734 2670 1 6 . 1 1 99 99 GLU H H 99 8.532 8.532 8.493 0.039 18734 2671 1 7 . 1 1 2 2 SER HA H 2 4.373 4.373 4.444 -0.071 18734 2672 1 7 . 1 1 2 2 SER CA C 2 55.756 55.756 58.793 -3.037 18734 2673 1 7 . 1 1 2 2 SER CB C 2 61.143 61.143 63.652 -2.509 18734 2674 1 7 . 1 1 3 3 HIS HA H 3 4.613 4.613 4.970 -0.357 18734 2675 1 7 . 1 1 3 3 HIS CA C 3 52.991 52.991 55.741 -2.750 18734 2676 1 7 . 1 1 3 3 HIS CB C 3 26.607 26.607 29.940 -3.333 18734 2677 1 7 . 1 1 4 4 GLU N N 4 122.124 122.124 120.815 1.309 18734 2678 1 7 . 1 1 4 4 GLU HA H 4 4.171 4.171 4.557 -0.386 18734 2679 1 7 . 1 1 4 4 GLU CA C 4 54.441 54.441 55.974 -1.533 18734 2680 1 7 . 1 1 4 4 GLU CB C 4 27.585 27.585 32.049 -4.464 18734 2681 1 7 . 1 1 4 4 GLU H H 4 8.415 8.415 8.177 0.238 18734 2682 1 7 . 1 1 5 5 GLY N N 5 110.434 110.434 110.740 -0.306 18734 2683 1 7 . 1 1 5 5 GLY CA C 5 42.610 42.610 44.527 -1.917 18734 2684 1 7 . 1 1 5 5 GLY H H 5 8.488 8.488 8.441 0.047 18734 2685 1 7 . 1 1 6 6 GLU N N 6 121.376 121.376 121.196 0.180 18734 2686 1 7 . 1 1 6 6 GLU HA H 6 4.560 4.560 4.407 0.153 18734 2687 1 7 . 1 1 6 6 GLU CA C 6 51.629 51.629 54.704 -3.075 18734 2688 1 7 . 1 1 6 6 GLU CB C 6 26.998 26.998 30.419 -3.421 18734 2689 1 7 . 1 1 6 6 GLU H H 6 7.954 7.954 8.088 -0.134 18734 2690 1 7 . 1 1 7 7 PRO HA H 7 4.464 4.464 4.065 0.399 18734 2691 1 7 . 1 1 7 7 PRO CA C 7 60.517 60.517 62.513 -1.996 18734 2692 1 7 . 1 1 7 7 PRO CB C 7 29.486 29.486 30.099 -0.613 18734 2693 1 7 . 1 1 8 8 VAL N N 8 120.493 120.493 119.364 1.129 18734 2694 1 7 . 1 1 8 8 VAL HA H 8 4.387 4.387 4.379 0.008 18734 2695 1 7 . 1 1 8 8 VAL CA C 8 58.483 58.483 59.764 -1.281 18734 2696 1 7 . 1 1 8 8 VAL CB C 8 31.177 31.177 35.855 -4.678 18734 2697 1 7 . 1 1 8 8 VAL H H 8 8.177 8.177 7.758 0.419 18734 2698 1 7 . 1 1 9 9 VAL N N 9 124.516 124.516 127.787 -3.271 18734 2699 1 7 . 1 1 9 9 VAL HA H 9 4.024 4.024 4.417 -0.393 18734 2700 1 7 . 1 1 9 9 VAL CA C 9 60.336 60.336 62.996 -2.660 18734 2701 1 7 . 1 1 9 9 VAL CB C 9 29.995 29.995 31.446 -1.451 18734 2702 1 7 . 1 1 9 9 VAL H H 9 8.246 8.246 8.883 -0.637 18734 2703 1 7 . 1 1 10 10 GLY N N 10 114.968 114.968 116.409 -1.441 18734 2704 1 7 . 1 1 10 10 GLY CA C 10 42.318 42.318 44.938 -2.620 18734 2705 1 7 . 1 1 10 10 GLY H H 10 8.595 8.595 8.344 0.251 18734 2706 1 7 . 1 1 11 11 MET N N 11 120.532 120.532 119.281 1.251 18734 2707 1 7 . 1 1 11 11 MET CA C 11 53.802 53.802 57.416 -3.614 18734 2708 1 7 . 1 1 11 11 MET CB C 11 30.698 30.698 32.258 -1.560 18734 2709 1 7 . 1 1 11 11 MET H H 11 8.320 8.320 8.673 -0.353 18734 2710 1 7 . 1 1 12 12 ASP N N 12 120.515 120.515 120.346 0.169 18734 2711 1 7 . 1 1 12 12 ASP HA H 12 4.637 4.637 4.808 -0.171 18734 2712 1 7 . 1 1 12 12 ASP CB C 12 38.090 38.090 41.600 -3.510 18734 2713 1 7 . 1 1 12 12 ASP H H 12 8.261 8.261 8.040 0.221 18734 2714 1 7 . 1 1 13 13 LYS N N 13 123.685 123.685 126.132 -2.447 18734 2715 1 7 . 1 1 13 13 LYS HA H 13 4.623 4.623 4.401 0.222 18734 2716 1 7 . 1 1 13 13 LYS CA C 13 50.898 50.898 56.071 -5.173 18734 2717 1 7 . 1 1 13 13 LYS CB C 13 30.003 30.003 30.395 -0.392 18734 2718 1 7 . 1 1 13 13 LYS H H 13 8.579 8.579 8.693 -0.114 18734 2719 1 7 . 1 1 14 14 SER N N 14 115.048 115.048 110.852 4.196 18734 2720 1 7 . 1 1 14 14 SER HA H 14 4.447 4.447 4.992 -0.545 18734 2721 1 7 . 1 1 14 14 SER CA C 14 56.917 56.917 57.973 -1.056 18734 2722 1 7 . 1 1 14 14 SER CB C 14 61.536 61.536 64.025 -2.489 18734 2723 1 7 . 1 1 14 14 SER H H 14 8.507 8.507 8.065 0.442 18734 2724 1 7 . 1 1 15 15 LEU N N 15 119.294 119.294 120.481 -1.187 18734 2725 1 7 . 1 1 15 15 LEU HA H 15 3.989 3.989 4.496 -0.507 18734 2726 1 7 . 1 1 15 15 LEU CA C 15 53.219 53.219 54.691 -1.472 18734 2727 1 7 . 1 1 15 15 LEU CB C 15 39.813 39.813 42.465 -2.652 18734 2728 1 7 . 1 1 15 15 LEU H H 15 6.908 6.908 7.926 -1.018 18734 2729 1 7 . 1 1 16 16 PHE N N 16 117.103 117.103 120.206 -3.103 18734 2730 1 7 . 1 1 16 16 PHE HA H 16 4.397 4.397 4.476 -0.079 18734 2731 1 7 . 1 1 16 16 PHE CA C 16 56.719 56.719 60.429 -3.710 18734 2732 1 7 . 1 1 16 16 PHE CB C 16 37.917 37.917 38.351 -0.434 18734 2733 1 7 . 1 1 16 16 PHE H H 16 7.658 7.658 8.113 -0.455 18734 2734 1 7 . 1 1 17 17 ALA N N 17 120.694 120.694 120.193 0.501 18734 2735 1 7 . 1 1 17 17 ALA HA H 17 3.964 3.964 4.368 -0.404 18734 2736 1 7 . 1 1 17 17 ALA CA C 17 51.840 51.840 52.681 -0.841 18734 2737 1 7 . 1 1 17 17 ALA CB C 17 15.004 15.004 17.555 -2.551 18734 2738 1 7 . 1 1 17 17 ALA H H 17 7.514 7.514 8.551 -1.037 18734 2739 1 7 . 1 1 18 18 GLY N N 18 110.007 110.007 104.998 5.009 18734 2740 1 7 . 1 1 18 18 GLY CA C 18 43.150 43.150 44.620 -1.470 18734 2741 1 7 . 1 1 18 18 GLY H H 18 8.204 8.204 7.807 0.397 18734 2742 1 7 . 1 1 19 19 ASN N N 19 119.323 119.323 120.149 -0.826 18734 2743 1 7 . 1 1 19 19 ASN HA H 19 4.733 4.733 5.015 -0.282 18734 2744 1 7 . 1 1 19 19 ASN CB C 19 36.020 36.020 39.598 -3.578 18734 2745 1 7 . 1 1 19 19 ASN H H 19 8.124 8.124 7.664 0.460 18734 2746 1 7 . 1 1 20 20 THR N N 20 116.844 116.844 116.931 -0.087 18734 2747 1 7 . 1 1 20 20 THR HA H 20 4.243 4.243 4.417 -0.174 18734 2748 1 7 . 1 1 20 20 THR CA C 20 60.224 60.224 63.337 -3.113 18734 2749 1 7 . 1 1 20 20 THR CB C 20 66.167 66.167 68.700 -2.533 18734 2750 1 7 . 1 1 20 20 THR H H 20 8.400 8.400 8.818 -0.418 18734 2751 1 7 . 1 1 21 21 VAL N N 21 117.661 117.661 118.650 -0.989 18734 2752 1 7 . 1 1 21 21 VAL HA H 21 4.161 4.161 4.281 -0.120 18734 2753 1 7 . 1 1 21 21 VAL CA C 21 59.739 59.739 61.137 -1.398 18734 2754 1 7 . 1 1 21 21 VAL CB C 21 31.224 31.224 32.800 -1.576 18734 2755 1 7 . 1 1 21 21 VAL H H 21 8.412 8.412 7.400 1.012 18734 2756 1 7 . 1 1 22 22 ILE N N 22 120.465 120.465 123.064 -2.599 18734 2757 1 7 . 1 1 22 22 ILE HA H 22 3.873 3.873 4.051 -0.178 18734 2758 1 7 . 1 1 22 22 ILE CA C 22 59.860 59.860 62.161 -2.301 18734 2759 1 7 . 1 1 22 22 ILE CB C 22 37.052 37.052 37.714 -0.662 18734 2760 1 7 . 1 1 22 22 ILE H H 22 7.300 7.300 7.295 0.005 18734 2761 1 7 . 1 1 23 23 ARG N N 23 122.168 122.168 127.048 -4.880 18734 2762 1 7 . 1 1 23 23 ARG HA H 23 4.940 4.940 4.539 0.401 18734 2763 1 7 . 1 1 23 23 ARG CA C 23 54.175 54.175 57.143 -2.968 18734 2764 1 7 . 1 1 23 23 ARG CB C 23 30.921 30.921 30.960 -0.040 18734 2765 1 7 . 1 1 23 23 ARG H H 23 8.328 8.328 8.337 -0.009 18734 2766 1 7 . 1 1 24 24 GLU N N 24 117.968 117.968 117.468 0.500 18734 2767 1 7 . 1 1 24 24 GLU HA H 24 5.100 5.100 5.018 0.082 18734 2768 1 7 . 1 1 24 24 GLU CA C 24 51.948 51.948 55.327 -3.379 18734 2769 1 7 . 1 1 24 24 GLU CB C 24 30.737 30.737 33.046 -2.309 18734 2770 1 7 . 1 1 24 24 GLU H H 24 7.474 7.474 7.734 -0.260 18734 2771 1 7 . 1 1 25 25 ILE N N 25 121.135 121.135 126.605 -5.470 18734 2772 1 7 . 1 1 25 25 ILE HA H 25 4.205 4.205 4.475 -0.270 18734 2773 1 7 . 1 1 25 25 ILE CA C 25 57.149 57.149 60.203 -3.054 18734 2774 1 7 . 1 1 25 25 ILE CB C 25 39.882 39.882 41.007 -1.125 18734 2775 1 7 . 1 1 25 25 ILE H H 25 7.591 7.591 8.301 -0.710 18734 2776 1 7 . 1 1 26 26 THR N N 26 122.935 122.935 124.216 -1.281 18734 2777 1 7 . 1 1 26 26 THR HA H 26 4.999 4.999 4.520 0.479 18734 2778 1 7 . 1 1 26 26 THR CA C 26 59.185 59.185 63.550 -4.365 18734 2779 1 7 . 1 1 26 26 THR CB C 26 67.259 67.259 69.208 -1.949 18734 2780 1 7 . 1 1 26 26 THR H H 26 8.243 8.243 8.643 -0.400 18734 2781 1 7 . 1 1 27 27 VAL N N 27 124.220 124.220 121.918 2.302 18734 2782 1 7 . 1 1 27 27 VAL HA H 27 4.421 4.421 4.591 -0.170 18734 2783 1 7 . 1 1 27 27 VAL CA C 27 58.144 58.144 59.749 -1.605 18734 2784 1 7 . 1 1 27 27 VAL CB C 27 30.727 30.727 35.849 -5.122 18734 2785 1 7 . 1 1 27 27 VAL H H 27 9.216 9.216 8.847 0.369 18734 2786 1 7 . 1 1 28 28 GLN N N 28 129.280 129.280 118.051 11.229 18734 2787 1 7 . 1 1 28 28 GLN HA H 28 4.702 4.702 5.138 -0.436 18734 2788 1 7 . 1 1 28 28 GLN CB C 28 25.480 25.480 29.102 -3.623 18734 2789 1 7 . 1 1 28 28 GLN H H 28 8.782 8.782 8.488 0.294 18734 2790 1 7 . 1 1 29 29 PRO HA H 29 3.457 3.457 3.199 0.258 18734 2791 1 7 . 1 1 29 29 PRO CA C 29 60.712 60.712 62.410 -1.698 18734 2792 1 7 . 1 1 29 29 PRO CB C 29 30.122 30.122 32.002 -1.880 18734 2793 1 7 . 1 1 30 30 ASN N N 30 113.396 113.396 113.528 -0.132 18734 2794 1 7 . 1 1 30 30 ASN HA H 30 4.329 4.329 4.192 0.137 18734 2795 1 7 . 1 1 30 30 ASN CA C 30 51.999 51.999 54.639 -2.640 18734 2796 1 7 . 1 1 30 30 ASN CB C 30 34.627 34.627 37.496 -2.869 18734 2797 1 7 . 1 1 30 30 ASN H H 30 8.199 8.199 8.511 -0.312 18734 2798 1 7 . 1 1 31 31 ILE N N 31 115.907 115.907 121.774 -5.867 18734 2799 1 7 . 1 1 31 31 ILE HA H 31 4.395 4.395 4.129 0.266 18734 2800 1 7 . 1 1 31 31 ILE CA C 31 57.434 57.434 59.450 -2.017 18734 2801 1 7 . 1 1 31 31 ILE CB C 31 36.859 36.859 36.807 0.052 18734 2802 1 7 . 1 1 31 31 ILE H H 31 8.201 8.201 7.269 0.932 18734 2803 1 7 . 1 1 32 32 GLY N N 32 111.217 111.217 112.377 -1.160 18734 2804 1 7 . 1 1 32 32 GLY CA C 32 41.729 41.729 44.514 -2.784 18734 2805 1 7 . 1 1 32 32 GLY H H 32 7.998 7.998 7.430 0.568 18734 2806 1 7 . 1 1 33 33 LEU N N 33 120.007 120.007 121.169 -1.162 18734 2807 1 7 . 1 1 33 33 LEU HA H 33 3.880 3.880 4.413 -0.533 18734 2808 1 7 . 1 1 33 33 LEU CA C 33 53.595 53.595 55.130 -1.535 18734 2809 1 7 . 1 1 33 33 LEU CB C 33 40.528 40.528 43.235 -2.707 18734 2810 1 7 . 1 1 33 33 LEU H H 33 7.820 7.820 8.368 -0.548 18734 2811 1 7 . 1 1 34 34 LEU N N 34 128.106 128.106 127.028 1.078 18734 2812 1 7 . 1 1 34 34 LEU HA H 34 4.485 4.485 4.234 0.251 18734 2813 1 7 . 1 1 34 34 LEU CA C 34 51.078 51.078 54.138 -3.060 18734 2814 1 7 . 1 1 34 34 LEU CB C 34 37.447 37.447 41.076 -3.629 18734 2815 1 7 . 1 1 34 34 LEU H H 34 8.551 8.551 8.250 0.301 18734 2816 1 7 . 1 1 35 35 TYR N N 35 121.473 121.473 122.414 -0.941 18734 2817 1 7 . 1 1 35 35 TYR HA H 35 4.240 4.240 4.488 -0.248 18734 2818 1 7 . 1 1 35 35 TYR CA C 35 53.814 53.814 55.632 -1.818 18734 2819 1 7 . 1 1 35 35 TYR CB C 35 36.868 36.868 38.675 -1.807 18734 2820 1 7 . 1 1 35 35 TYR H H 35 6.363 6.363 7.910 -1.547 18734 2821 1 7 . 1 1 36 36 ASP N N 36 119.590 119.590 118.528 1.062 18734 2822 1 7 . 1 1 36 36 ASP HA H 36 3.980 3.980 4.753 -0.773 18734 2823 1 7 . 1 1 36 36 ASP CA C 36 52.760 52.760 53.544 -0.784 18734 2824 1 7 . 1 1 36 36 ASP CB C 36 37.119 37.119 40.889 -3.770 18734 2825 1 7 . 1 1 36 36 ASP H H 36 8.573 8.573 8.544 0.029 18734 2826 1 7 . 1 1 37 37 GLY N N 37 108.636 108.636 112.401 -3.765 18734 2827 1 7 . 1 1 37 37 GLY CA C 37 44.335 44.335 45.336 -1.001 18734 2828 1 7 . 1 1 37 37 GLY H H 37 7.903 7.903 8.875 -0.972 18734 2829 1 7 . 1 1 38 38 MET N N 38 120.339 120.339 121.138 -0.799 18734 2830 1 7 . 1 1 38 38 MET HA H 38 3.631 3.631 3.559 0.072 18734 2831 1 7 . 1 1 38 38 MET CA C 38 56.101 56.101 58.141 -2.040 18734 2832 1 7 . 1 1 38 38 MET CB C 38 29.166 29.166 31.525 -2.359 18734 2833 1 7 . 1 1 38 38 MET H H 38 7.873 7.873 7.134 0.739 18734 2834 1 7 . 1 1 39 39 PHE N N 39 115.430 115.430 112.756 2.674 18734 2835 1 7 . 1 1 39 39 PHE HA H 39 4.908 4.908 4.711 0.197 18734 2836 1 7 . 1 1 39 39 PHE CA C 39 52.898 52.898 56.383 -3.485 18734 2837 1 7 . 1 1 39 39 PHE CB C 39 36.647 36.647 37.879 -1.232 18734 2838 1 7 . 1 1 39 39 PHE H H 39 8.504 8.504 7.558 0.946 18734 2839 1 7 . 1 1 40 40 SER N N 40 113.647 113.647 116.195 -2.548 18734 2840 1 7 . 1 1 40 40 SER HA H 40 4.238 4.238 4.162 0.076 18734 2841 1 7 . 1 1 40 40 SER CA C 40 56.954 56.954 60.091 -3.137 18734 2842 1 7 . 1 1 40 40 SER CB C 40 60.458 60.458 62.856 -2.398 18734 2843 1 7 . 1 1 40 40 SER H H 40 7.264 7.264 7.670 -0.406 18734 2844 1 7 . 1 1 41 41 GLY N N 41 115.225 115.225 115.521 -0.296 18734 2845 1 7 . 1 1 41 41 GLY CA C 41 42.941 42.941 45.018 -2.077 18734 2846 1 7 . 1 1 41 41 GLY H H 41 9.110 9.110 8.714 0.396 18734 2847 1 7 . 1 1 42 42 CYS N N 42 120.385 120.385 122.662 -2.277 18734 2848 1 7 . 1 1 42 42 CYS HA H 42 4.761 4.761 4.578 0.183 18734 2849 1 7 . 1 1 42 42 CYS CB C 42 23.867 23.867 25.685 -1.818 18734 2850 1 7 . 1 1 42 42 CYS H H 42 7.929 7.929 8.452 -0.523 18734 2851 1 7 . 1 1 43 43 THR N N 43 113.920 113.920 114.763 -0.843 18734 2852 1 7 . 1 1 43 43 THR HA H 43 3.863 3.863 4.274 -0.411 18734 2853 1 7 . 1 1 43 43 THR CA C 43 61.663 61.663 62.958 -1.295 18734 2854 1 7 . 1 1 43 43 THR CB C 43 66.027 66.027 68.413 -2.386 18734 2855 1 7 . 1 1 43 43 THR H H 43 7.495 7.495 8.153 -0.658 18734 2856 1 7 . 1 1 44 44 ALA N N 44 123.479 123.479 122.103 1.376 18734 2857 1 7 . 1 1 44 44 ALA HA H 44 4.477 4.477 4.591 -0.114 18734 2858 1 7 . 1 1 44 44 ALA CA C 44 48.198 48.198 51.113 -2.915 18734 2859 1 7 . 1 1 44 44 ALA CB C 44 17.096 17.096 19.749 -2.653 18734 2860 1 7 . 1 1 44 44 ALA H H 44 8.551 8.551 7.964 0.587 18734 2861 1 7 . 1 1 45 45 LEU N N 45 121.070 121.070 121.284 -0.214 18734 2862 1 7 . 1 1 45 45 LEU HA H 45 3.981 3.981 4.293 -0.312 18734 2863 1 7 . 1 1 45 45 LEU CA C 45 53.838 53.838 55.661 -1.823 18734 2864 1 7 . 1 1 45 45 LEU CB C 45 40.243 40.243 42.197 -1.954 18734 2865 1 7 . 1 1 45 45 LEU H H 45 6.819 6.819 7.769 -0.950 18734 2866 1 7 . 1 1 46 46 GLU N N 46 128.627 128.627 125.002 3.625 18734 2867 1 7 . 1 1 46 46 GLU HA H 46 4.511 4.511 4.646 -0.135 18734 2868 1 7 . 1 1 46 46 GLU CA C 46 54.357 54.357 56.141 -1.784 18734 2869 1 7 . 1 1 46 46 GLU CB C 46 29.883 29.883 32.124 -2.241 18734 2870 1 7 . 1 1 46 46 GLU H H 46 9.401 9.401 8.461 0.940 18734 2871 1 7 . 1 1 47 47 LYS N N 47 116.297 116.297 119.209 -2.912 18734 2872 1 7 . 1 1 47 47 LYS HA H 47 5.128 5.128 4.927 0.201 18734 2873 1 7 . 1 1 47 47 LYS CA C 47 52.808 52.808 55.159 -2.351 18734 2874 1 7 . 1 1 47 47 LYS CB C 47 35.325 35.325 37.110 -1.785 18734 2875 1 7 . 1 1 47 47 LYS H H 47 7.171 7.171 8.251 -1.080 18734 2876 1 7 . 1 1 48 48 LEU N N 48 125.474 125.474 123.445 2.029 18734 2877 1 7 . 1 1 48 48 LEU HA H 48 4.403 4.403 4.979 -0.576 18734 2878 1 7 . 1 1 48 48 LEU CA C 48 50.489 50.489 54.372 -3.883 18734 2879 1 7 . 1 1 48 48 LEU CB C 48 41.991 41.991 46.288 -4.297 18734 2880 1 7 . 1 1 48 48 LEU H H 48 8.715 8.715 8.674 0.041 18734 2881 1 7 . 1 1 49 49 ILE N N 49 127.246 127.246 122.932 4.314 18734 2882 1 7 . 1 1 49 49 ILE HA H 49 4.145 4.145 4.634 -0.489 18734 2883 1 7 . 1 1 49 49 ILE CA C 49 58.314 58.314 59.987 -1.673 18734 2884 1 7 . 1 1 49 49 ILE CB C 49 36.125 36.125 42.154 -6.029 18734 2885 1 7 . 1 1 49 49 ILE H H 49 9.131 9.131 8.856 0.275 18734 2886 1 7 . 1 1 50 50 LEU N N 50 128.685 128.685 125.369 3.316 18734 2887 1 7 . 1 1 50 50 LEU HA H 50 4.417 4.417 4.962 -0.545 18734 2888 1 7 . 1 1 50 50 LEU CA C 50 50.414 50.414 53.791 -3.377 18734 2889 1 7 . 1 1 50 50 LEU CB C 50 36.390 36.390 42.758 -6.368 18734 2890 1 7 . 1 1 50 50 LEU H H 50 8.553 8.553 8.416 0.137 18734 2891 1 7 . 1 1 51 51 THR N N 51 109.751 109.751 115.079 -5.328 18734 2892 1 7 . 1 1 51 51 THR HA H 51 3.935 3.935 4.437 -0.502 18734 2893 1 7 . 1 1 51 51 THR CA C 51 60.194 60.194 61.939 -1.745 18734 2894 1 7 . 1 1 51 51 THR CB C 51 66.107 66.107 67.787 -1.680 18734 2895 1 7 . 1 1 51 51 THR H H 51 6.964 6.964 9.017 -2.053 18734 2896 1 7 . 1 1 52 52 GLY N N 52 108.656 108.656 109.631 -0.975 18734 2897 1 7 . 1 1 52 52 GLY CA C 52 42.432 42.432 44.553 -2.121 18734 2898 1 7 . 1 1 52 52 GLY H H 52 8.409 8.409 7.742 0.667 18734 2899 1 7 . 1 1 53 53 GLU N N 53 119.733 119.733 118.237 1.496 18734 2900 1 7 . 1 1 53 53 GLU HA H 53 4.061 4.061 4.550 -0.489 18734 2901 1 7 . 1 1 53 53 GLU CA C 53 54.296 54.296 56.357 -2.061 18734 2902 1 7 . 1 1 53 53 GLU CB C 53 27.425 27.425 30.319 -2.894 18734 2903 1 7 . 1 1 53 53 GLU H H 53 8.741 8.741 8.858 -0.117 18734 2904 1 7 . 1 1 54 54 ASP N N 54 118.231 118.231 117.495 0.736 18734 2905 1 7 . 1 1 54 54 ASP HA H 54 5.035 5.035 4.622 0.413 18734 2906 1 7 . 1 1 54 54 ASP CA C 54 46.882 46.882 50.682 -3.800 18734 2907 1 7 . 1 1 54 54 ASP CB C 54 39.822 39.822 43.045 -3.223 18734 2908 1 7 . 1 1 54 54 ASP H H 54 8.309 8.309 7.673 0.636 18734 2909 1 7 . 1 1 55 55 PRO HA H 55 3.920 3.920 3.976 -0.056 18734 2910 1 7 . 1 1 55 55 PRO CA C 55 61.140 61.140 63.948 -2.808 18734 2911 1 7 . 1 1 55 55 PRO CB C 55 30.606 30.606 32.213 -1.607 18734 2912 1 7 . 1 1 56 56 SER N N 56 108.966 108.966 116.427 -7.461 18734 2913 1 7 . 1 1 56 56 SER HA H 56 4.494 4.494 4.320 0.174 18734 2914 1 7 . 1 1 56 56 SER CA C 56 57.752 57.752 61.408 -3.656 18734 2915 1 7 . 1 1 56 56 SER CB C 56 60.574 60.574 62.919 -2.345 18734 2916 1 7 . 1 1 56 56 SER H H 56 7.998 7.998 8.521 -0.523 18734 2917 1 7 . 1 1 57 57 ALA N N 57 123.346 123.346 121.153 2.193 18734 2918 1 7 . 1 1 57 57 ALA HA H 57 4.197 4.197 4.244 -0.047 18734 2919 1 7 . 1 1 57 57 ALA CA C 57 49.452 49.452 52.376 -2.924 18734 2920 1 7 . 1 1 57 57 ALA CB C 57 17.341 17.341 19.220 -1.879 18734 2921 1 7 . 1 1 57 57 ALA H H 57 7.770 7.770 7.750 0.020 18734 2922 1 7 . 1 1 58 58 TYR N N 58 118.640 118.640 118.306 0.334 18734 2923 1 7 . 1 1 58 58 TYR HA H 58 4.844 4.844 4.888 -0.044 18734 2924 1 7 . 1 1 58 58 TYR CA C 58 54.841 54.841 57.408 -2.567 18734 2925 1 7 . 1 1 58 58 TYR CB C 58 39.626 39.626 41.665 -2.039 18734 2926 1 7 . 1 1 58 58 TYR H H 58 7.878 7.878 7.691 0.187 18734 2927 1 7 . 1 1 59 59 SER N N 59 118.841 118.841 120.752 -1.911 18734 2928 1 7 . 1 1 59 59 SER HA H 59 4.584 4.584 4.775 -0.191 18734 2929 1 7 . 1 1 59 59 SER CA C 59 54.332 54.332 58.340 -4.008 18734 2930 1 7 . 1 1 59 59 SER CB C 59 62.866 62.866 64.218 -1.352 18734 2931 1 7 . 1 1 59 59 SER H H 59 9.289 9.289 8.699 0.590 18734 2932 1 7 . 1 1 60 60 ALA N N 60 125.034 125.034 121.909 3.125 18734 2933 1 7 . 1 1 60 60 ALA HA H 60 4.726 4.726 4.653 0.073 18734 2934 1 7 . 1 1 60 60 ALA CB C 60 20.233 20.233 20.730 -0.497 18734 2935 1 7 . 1 1 60 60 ALA H H 60 7.473 7.473 8.195 -0.722 18734 2936 1 7 . 1 1 61 61 GLY N N 61 109.267 109.267 107.049 2.218 18734 2937 1 7 . 1 1 61 61 GLY CA C 61 41.504 41.504 43.891 -2.387 18734 2938 1 7 . 1 1 61 61 GLY H H 61 9.368 9.368 8.176 1.192 18734 2939 1 7 . 1 1 62 62 ASP N N 62 121.898 121.898 120.977 0.921 18734 2940 1 7 . 1 1 62 62 ASP HA H 62 4.673 4.673 4.528 0.145 18734 2941 1 7 . 1 1 62 62 ASP CB C 62 38.468 38.468 41.255 -2.788 18734 2942 1 7 . 1 1 62 62 ASP H H 62 9.236 9.236 8.753 0.483 18734 2943 1 7 . 1 1 63 63 GLY N N 63 111.438 111.438 106.418 5.020 18734 2944 1 7 . 1 1 63 63 GLY CA C 63 43.099 43.099 43.712 -0.613 18734 2945 1 7 . 1 1 63 63 GLY H H 63 8.774 8.774 8.003 0.771 18734 2946 1 7 . 1 1 64 64 LEU N N 64 125.900 125.900 127.909 -2.009 18734 2947 1 7 . 1 1 64 64 LEU HA H 64 4.169 4.169 4.080 0.089 18734 2948 1 7 . 1 1 64 64 LEU CA C 64 56.103 56.103 57.497 -1.394 18734 2949 1 7 . 1 1 64 64 LEU CB C 64 40.431 40.431 42.236 -1.805 18734 2950 1 7 . 1 1 64 64 LEU H H 64 7.483 7.483 7.787 -0.304 18734 2951 1 7 . 1 1 65 65 ARG N N 65 111.696 111.696 113.534 -1.838 18734 2952 1 7 . 1 1 65 65 ARG HA H 65 4.057 4.057 4.384 -0.327 18734 2953 1 7 . 1 1 65 65 ARG CA C 65 51.787 51.787 54.389 -2.602 18734 2954 1 7 . 1 1 65 65 ARG CB C 65 26.474 26.474 28.483 -2.009 18734 2955 1 7 . 1 1 65 65 ARG H H 65 8.071 8.071 7.930 0.141 18734 2956 1 7 . 1 1 66 66 ASP N N 66 120.559 120.559 121.929 -1.370 18734 2957 1 7 . 1 1 66 66 ASP HA H 66 4.121 4.121 4.366 -0.245 18734 2958 1 7 . 1 1 66 66 ASP CA C 66 53.462 53.462 56.575 -3.113 18734 2959 1 7 . 1 1 66 66 ASP CB C 66 37.557 37.557 41.791 -4.234 18734 2960 1 7 . 1 1 66 66 ASP H H 66 7.293 7.293 7.402 -0.109 18734 2961 1 7 . 1 1 67 67 GLY N N 67 110.131 110.131 111.758 -1.627 18734 2962 1 7 . 1 1 67 67 GLY CA C 67 43.985 43.985 45.564 -1.579 18734 2963 1 7 . 1 1 67 67 GLY H H 67 8.695 8.695 8.681 0.014 18734 2964 1 7 . 1 1 68 68 ALA N N 68 123.462 123.462 121.920 1.542 18734 2965 1 7 . 1 1 68 68 ALA HA H 68 4.385 4.385 4.714 -0.329 18734 2966 1 7 . 1 1 68 68 ALA CA C 68 49.065 49.065 51.325 -2.260 18734 2967 1 7 . 1 1 68 68 ALA CB C 68 19.402 19.402 21.813 -2.411 18734 2968 1 7 . 1 1 68 68 ALA H H 68 8.058 8.058 7.750 0.308 18734 2969 1 7 . 1 1 69 69 ASP N N 69 116.343 116.343 116.783 -0.440 18734 2970 1 7 . 1 1 69 69 ASP HA H 69 4.524 4.524 4.473 0.051 18734 2971 1 7 . 1 1 69 69 ASP CA C 69 51.240 51.240 54.300 -3.060 18734 2972 1 7 . 1 1 69 69 ASP CB C 69 39.076 39.076 42.476 -3.400 18734 2973 1 7 . 1 1 69 69 ASP H H 69 8.721 8.721 8.457 0.264 18734 2974 1 7 . 1 1 70 70 PHE N N 70 113.658 113.658 120.152 -6.494 18734 2975 1 7 . 1 1 70 70 PHE HA H 70 4.648 4.648 4.984 -0.336 18734 2976 1 7 . 1 1 70 70 PHE CA C 70 52.114 52.114 55.492 -3.378 18734 2977 1 7 . 1 1 70 70 PHE CB C 70 38.375 38.375 41.181 -2.806 18734 2978 1 7 . 1 1 70 70 PHE H H 70 5.865 5.865 7.175 -1.310 18734 2979 1 7 . 1 1 71 71 LEU N N 71 119.766 119.766 121.237 -1.471 18734 2980 1 7 . 1 1 71 71 LEU HA H 71 4.915 4.915 4.618 0.297 18734 2981 1 7 . 1 1 71 71 LEU CA C 71 50.797 50.797 54.182 -3.385 18734 2982 1 7 . 1 1 71 71 LEU CB C 71 41.482 41.482 45.383 -3.901 18734 2983 1 7 . 1 1 71 71 LEU H H 71 7.964 7.964 7.831 0.133 18734 2984 1 7 . 1 1 72 72 ILE N N 72 123.675 123.675 121.777 1.898 18734 2985 1 7 . 1 1 72 72 ILE HA H 72 4.728 4.728 4.716 0.012 18734 2986 1 7 . 1 1 72 72 ILE CB C 72 36.921 36.921 41.303 -4.381 18734 2987 1 7 . 1 1 72 72 ILE H H 72 9.073 9.073 8.345 0.728 18734 2988 1 7 . 1 1 73 73 CYS N N 73 125.409 125.409 124.159 1.250 18734 2989 1 7 . 1 1 73 73 CYS HA H 73 5.534 5.534 5.447 0.087 18734 2990 1 7 . 1 1 73 73 CYS CA C 73 54.056 54.056 56.923 -2.867 18734 2991 1 7 . 1 1 73 73 CYS CB C 73 27.753 27.753 30.936 -3.183 18734 2992 1 7 . 1 1 73 73 CYS H H 73 9.060 9.060 8.490 0.570 18734 2993 1 7 . 1 1 74 74 VAL N N 74 114.408 114.408 115.685 -1.277 18734 2994 1 7 . 1 1 74 74 VAL HA H 74 4.951 4.951 4.665 0.286 18734 2995 1 7 . 1 1 74 74 VAL CA C 74 54.229 54.229 57.341 -3.112 18734 2996 1 7 . 1 1 74 74 VAL CB C 74 29.675 29.675 34.203 -4.527 18734 2997 1 7 . 1 1 74 74 VAL H H 74 7.938 7.938 8.883 -0.945 18734 2998 1 7 . 1 1 75 75 PRO HA H 75 4.283 4.283 4.423 -0.140 18734 2999 1 7 . 1 1 75 75 PRO CA C 75 60.889 60.889 62.614 -1.725 18734 3000 1 7 . 1 1 75 75 PRO CB C 75 29.499 29.499 31.979 -2.480 18734 3001 1 7 . 1 1 76 76 GLU N N 76 126.159 126.159 122.378 3.781 18734 3002 1 7 . 1 1 76 76 GLU HA H 76 3.664 3.664 3.932 -0.268 18734 3003 1 7 . 1 1 76 76 GLU CA C 76 58.112 58.112 59.376 -1.264 18734 3004 1 7 . 1 1 76 76 GLU CB C 76 26.894 26.894 28.789 -1.895 18734 3005 1 7 . 1 1 76 76 GLU H H 76 9.130 9.130 8.934 0.196 18734 3006 1 7 . 1 1 77 77 GLU N N 77 117.145 117.145 117.819 -0.674 18734 3007 1 7 . 1 1 77 77 GLU HA H 77 4.100 4.100 4.292 -0.192 18734 3008 1 7 . 1 1 77 77 GLU CA C 77 55.734 55.734 57.537 -1.803 18734 3009 1 7 . 1 1 77 77 GLU CB C 77 26.315 26.315 29.703 -3.388 18734 3010 1 7 . 1 1 77 77 GLU H H 77 9.350 9.350 8.323 1.027 18734 3011 1 7 . 1 1 78 78 ALA N N 78 120.398 120.398 121.246 -0.848 18734 3012 1 7 . 1 1 78 78 ALA HA H 78 4.699 4.699 4.626 0.073 18734 3013 1 7 . 1 1 78 78 ALA CB C 78 18.962 18.962 19.930 -0.969 18734 3014 1 7 . 1 1 78 78 ALA H H 78 8.044 8.044 7.895 0.149 18734 3015 1 7 . 1 1 79 79 LEU N N 79 122.497 122.497 121.587 0.910 18734 3016 1 7 . 1 1 79 79 LEU HA H 79 3.710 3.710 3.965 -0.255 18734 3017 1 7 . 1 1 79 79 LEU CA C 79 56.837 56.837 58.730 -1.893 18734 3018 1 7 . 1 1 79 79 LEU CB C 79 40.952 40.952 41.768 -0.816 18734 3019 1 7 . 1 1 79 79 LEU H H 79 7.331 7.331 7.839 -0.508 18734 3020 1 7 . 1 1 80 80 ASP N N 80 116.432 116.432 116.952 -0.520 18734 3021 1 7 . 1 1 80 80 ASP HA H 80 4.357 4.357 4.392 -0.035 18734 3022 1 7 . 1 1 80 80 ASP CA C 80 54.751 54.751 57.325 -2.574 18734 3023 1 7 . 1 1 80 80 ASP CB C 80 38.534 38.534 40.581 -2.047 18734 3024 1 7 . 1 1 80 80 ASP H H 80 8.305 8.305 8.642 -0.337 18734 3025 1 7 . 1 1 81 81 ARG N N 81 119.433 119.433 119.693 -0.260 18734 3026 1 7 . 1 1 81 81 ARG HA H 81 3.894 3.894 4.001 -0.107 18734 3027 1 7 . 1 1 81 81 ARG CA C 81 56.473 56.473 59.538 -3.064 18734 3028 1 7 . 1 1 81 81 ARG CB C 81 27.481 27.481 30.128 -2.647 18734 3029 1 7 . 1 1 81 81 ARG H H 81 7.638 7.638 8.186 -0.548 18734 3030 1 7 . 1 1 82 82 TYR N N 82 116.397 116.397 116.720 -0.323 18734 3031 1 7 . 1 1 82 82 TYR HA H 82 3.830 3.830 4.298 -0.468 18734 3032 1 7 . 1 1 82 82 TYR CA C 82 61.170 61.170 61.409 -0.239 18734 3033 1 7 . 1 1 82 82 TYR CB C 82 37.031 37.031 38.338 -1.307 18734 3034 1 7 . 1 1 82 82 TYR H H 82 8.198 8.198 8.516 -0.318 18734 3035 1 7 . 1 1 83 83 ARG N N 83 113.114 113.114 117.144 -4.030 18734 3036 1 7 . 1 1 83 83 ARG HA H 83 3.728 3.728 4.198 -0.470 18734 3037 1 7 . 1 1 83 83 ARG CA C 83 58.115 58.115 58.945 -0.830 18734 3038 1 7 . 1 1 83 83 ARG CB C 83 28.107 28.107 30.075 -1.968 18734 3039 1 7 . 1 1 83 83 ARG H H 83 8.151 8.151 7.640 0.511 18734 3040 1 7 . 1 1 84 84 ARG N N 84 111.791 111.791 117.289 -5.498 18734 3041 1 7 . 1 1 84 84 ARG HA H 84 4.386 4.386 4.506 -0.120 18734 3042 1 7 . 1 1 84 84 ARG CA C 84 52.335 52.335 55.960 -3.625 18734 3043 1 7 . 1 1 84 84 ARG CB C 84 27.987 27.987 30.074 -2.087 18734 3044 1 7 . 1 1 84 84 ARG H H 84 7.571 7.571 7.853 -0.282 18734 3045 1 7 . 1 1 85 85 ASP N N 85 123.157 123.157 119.915 3.242 18734 3046 1 7 . 1 1 85 85 ASP HA H 85 4.373 4.373 4.678 -0.305 18734 3047 1 7 . 1 1 85 85 ASP CA C 85 52.852 52.852 53.992 -1.139 18734 3048 1 7 . 1 1 85 85 ASP CB C 85 42.482 42.482 42.146 0.336 18734 3049 1 7 . 1 1 85 85 ASP H H 85 7.200 7.200 7.646 -0.446 18734 3050 1 7 . 1 1 86 86 TYR N N 86 123.389 123.389 119.646 3.743 18734 3051 1 7 . 1 1 86 86 TYR HA H 86 4.092 4.092 4.636 -0.544 18734 3052 1 7 . 1 1 86 86 TYR CA C 86 58.674 58.674 60.046 -1.372 18734 3053 1 7 . 1 1 86 86 TYR CB C 86 35.801 35.801 40.362 -4.561 18734 3054 1 7 . 1 1 86 86 TYR H H 86 8.440 8.440 8.672 -0.232 18734 3055 1 7 . 1 1 87 87 PHE N N 87 117.092 117.092 120.480 -3.388 18734 3056 1 7 . 1 1 87 87 PHE HA H 87 4.378 4.378 4.607 -0.229 18734 3057 1 7 . 1 1 87 87 PHE CA C 87 57.433 57.433 56.741 0.692 18734 3058 1 7 . 1 1 87 87 PHE CB C 87 37.442 37.442 39.980 -2.538 18734 3059 1 7 . 1 1 87 87 PHE H H 87 7.931 7.931 8.884 -0.953 18734 3060 1 7 . 1 1 88 88 TRP N N 88 121.396 121.396 119.407 1.989 18734 3061 1 7 . 1 1 88 88 TRP HA H 88 3.798 3.798 4.302 -0.504 18734 3062 1 7 . 1 1 88 88 TRP CA C 88 59.544 59.544 60.570 -1.026 18734 3063 1 7 . 1 1 88 88 TRP CB C 88 26.293 26.293 28.777 -2.484 18734 3064 1 7 . 1 1 88 88 TRP H H 88 9.757 9.757 9.142 0.615 18734 3065 1 7 . 1 1 89 89 GLN N N 89 117.760 117.760 119.787 -2.027 18734 3066 1 7 . 1 1 89 89 GLN HA H 89 4.393 4.393 3.978 0.415 18734 3067 1 7 . 1 1 89 89 GLN CA C 89 55.882 55.882 58.796 -2.914 18734 3068 1 7 . 1 1 89 89 GLN CB C 89 30.198 30.198 27.381 2.817 18734 3069 1 7 . 1 1 89 89 GLN H H 89 8.490 8.490 8.510 -0.020 18734 3070 1 7 . 1 1 90 90 THR N N 90 118.285 118.285 114.131 4.154 18734 3071 1 7 . 1 1 90 90 THR HA H 90 3.686 3.686 4.179 -0.493 18734 3072 1 7 . 1 1 90 90 THR CA C 90 62.770 62.770 64.033 -1.263 18734 3073 1 7 . 1 1 90 90 THR CB C 90 66.664 66.664 68.859 -2.196 18734 3074 1 7 . 1 1 90 90 THR H H 90 7.932 7.932 7.864 0.068 18734 3075 1 7 . 1 1 91 91 TYR N N 91 118.448 118.448 118.389 0.059 18734 3076 1 7 . 1 1 91 91 TYR HA H 91 4.975 4.975 5.075 -0.100 18734 3077 1 7 . 1 1 91 91 TYR CA C 91 55.511 55.511 58.108 -2.597 18734 3078 1 7 . 1 1 91 91 TYR CB C 91 37.126 37.126 38.962 -1.837 18734 3079 1 7 . 1 1 91 91 TYR H H 91 8.009 8.009 7.851 0.158 18734 3080 1 7 . 1 1 92 92 ALA N N 92 122.351 122.351 122.886 -0.535 18734 3081 1 7 . 1 1 92 92 ALA HA H 92 3.843 3.843 4.227 -0.384 18734 3082 1 7 . 1 1 92 92 ALA CA C 92 54.108 54.108 54.209 -0.101 18734 3083 1 7 . 1 1 92 92 ALA CB C 92 16.505 16.505 18.032 -1.527 18734 3084 1 7 . 1 1 92 92 ALA H H 92 7.665 7.665 8.197 -0.532 18734 3085 1 7 . 1 1 93 93 ALA N N 93 117.548 117.548 120.249 -2.701 18734 3086 1 7 . 1 1 93 93 ALA HA H 93 3.702 3.702 3.955 -0.253 18734 3087 1 7 . 1 1 93 93 ALA CA C 93 51.371 51.371 53.000 -1.629 18734 3088 1 7 . 1 1 93 93 ALA CB C 93 14.292 14.292 17.993 -3.701 18734 3089 1 7 . 1 1 93 93 ALA H H 93 8.275 8.275 8.242 0.033 18734 3090 1 7 . 1 1 94 94 TRP N N 94 115.303 115.303 117.125 -1.822 18734 3091 1 7 . 1 1 94 94 TRP HA H 94 4.669 4.669 4.963 -0.294 18734 3092 1 7 . 1 1 94 94 TRP CB C 94 26.912 26.912 29.888 -2.976 18734 3093 1 7 . 1 1 94 94 TRP H H 94 8.203 8.203 7.853 0.350 18734 3094 1 7 . 1 1 95 95 ILE N N 95 120.680 120.680 121.109 -0.429 18734 3095 1 7 . 1 1 95 95 ILE HA H 95 5.325 5.325 4.955 0.370 18734 3096 1 7 . 1 1 95 95 ILE CA C 95 57.930 57.930 60.158 -2.228 18734 3097 1 7 . 1 1 95 95 ILE CB C 95 36.508 36.508 40.510 -4.002 18734 3098 1 7 . 1 1 95 95 ILE H H 95 7.153 7.153 7.577 -0.424 18734 3099 1 7 . 1 1 96 96 GLN N N 96 128.223 128.223 123.876 4.347 18734 3100 1 7 . 1 1 96 96 GLN HA H 96 4.691 4.691 4.948 -0.257 18734 3101 1 7 . 1 1 96 96 GLN CB C 96 28.885 28.885 29.224 -0.339 18734 3102 1 7 . 1 1 96 96 GLN H H 96 9.189 9.189 8.352 0.837 18734 3103 1 7 . 1 1 97 97 PRO HA H 97 4.833 4.833 4.737 0.096 18734 3104 1 7 . 1 1 97 97 PRO CA C 97 59.122 59.122 62.885 -3.763 18734 3105 1 7 . 1 1 97 97 PRO CB C 97 29.515 29.515 32.380 -2.865 18734 3106 1 7 . 1 1 98 98 MET N N 98 120.815 120.815 120.759 0.056 18734 3107 1 7 . 1 1 98 98 MET HA H 98 4.116 4.116 4.472 -0.356 18734 3108 1 7 . 1 1 98 98 MET CA C 98 52.944 52.944 56.585 -3.641 18734 3109 1 7 . 1 1 98 98 MET CB C 98 30.981 30.981 33.504 -2.523 18734 3110 1 7 . 1 1 98 98 MET H H 98 8.551 8.551 8.392 0.159 18734 3111 1 7 . 1 1 99 99 GLU N N 99 124.677 124.677 120.920 3.757 18734 3112 1 7 . 1 1 99 99 GLU HA H 99 4.220 4.220 4.590 -0.370 18734 3113 1 7 . 1 1 99 99 GLU CA C 99 53.952 53.952 55.522 -1.570 18734 3114 1 7 . 1 1 99 99 GLU CB C 99 27.803 27.803 31.703 -3.900 18734 3115 1 7 . 1 1 99 99 GLU H H 99 8.532 8.532 8.394 0.138 18734 3116 1 8 . 1 1 2 2 SER HA H 2 4.373 4.373 4.714 -0.341 18734 3117 1 8 . 1 1 2 2 SER CA C 2 55.756 55.756 57.906 -2.150 18734 3118 1 8 . 1 1 2 2 SER CB C 2 61.143 61.143 64.137 -2.994 18734 3119 1 8 . 1 1 3 3 HIS HA H 3 4.613 4.613 4.897 -0.284 18734 3120 1 8 . 1 1 3 3 HIS CA C 3 52.991 52.991 55.530 -2.539 18734 3121 1 8 . 1 1 3 3 HIS CB C 3 26.607 26.607 29.382 -2.775 18734 3122 1 8 . 1 1 4 4 GLU N N 4 122.124 122.124 118.845 3.279 18734 3123 1 8 . 1 1 4 4 GLU HA H 4 4.171 4.171 4.629 -0.458 18734 3124 1 8 . 1 1 4 4 GLU CA C 4 54.441 54.441 55.599 -1.159 18734 3125 1 8 . 1 1 4 4 GLU CB C 4 27.585 27.585 31.309 -3.724 18734 3126 1 8 . 1 1 4 4 GLU H H 4 8.415 8.415 7.592 0.823 18734 3127 1 8 . 1 1 5 5 GLY N N 5 110.434 110.434 107.877 2.557 18734 3128 1 8 . 1 1 5 5 GLY CA C 5 42.610 42.610 45.881 -3.271 18734 3129 1 8 . 1 1 5 5 GLY H H 5 8.488 8.488 8.605 -0.117 18734 3130 1 8 . 1 1 6 6 GLU N N 6 121.376 121.376 120.690 0.686 18734 3131 1 8 . 1 1 6 6 GLU HA H 6 4.560 4.560 4.692 -0.132 18734 3132 1 8 . 1 1 6 6 GLU CA C 6 51.629 51.629 52.790 -1.161 18734 3133 1 8 . 1 1 6 6 GLU CB C 6 26.998 26.998 31.481 -4.483 18734 3134 1 8 . 1 1 6 6 GLU H H 6 7.954 7.954 8.016 -0.062 18734 3135 1 8 . 1 1 7 7 PRO HA H 7 4.464 4.464 3.979 0.485 18734 3136 1 8 . 1 1 7 7 PRO CA C 7 60.517 60.517 62.517 -2.000 18734 3137 1 8 . 1 1 7 7 PRO CB C 7 29.486 29.486 30.762 -1.276 18734 3138 1 8 . 1 1 8 8 VAL N N 8 120.493 120.493 120.008 0.485 18734 3139 1 8 . 1 1 8 8 VAL HA H 8 4.387 4.387 4.286 0.101 18734 3140 1 8 . 1 1 8 8 VAL CA C 8 58.483 58.483 59.379 -0.896 18734 3141 1 8 . 1 1 8 8 VAL CB C 8 31.177 31.177 35.493 -4.316 18734 3142 1 8 . 1 1 8 8 VAL H H 8 8.177 8.177 7.310 0.867 18734 3143 1 8 . 1 1 9 9 VAL N N 9 124.516 124.516 126.184 -1.668 18734 3144 1 8 . 1 1 9 9 VAL HA H 9 4.024 4.024 4.446 -0.422 18734 3145 1 8 . 1 1 9 9 VAL CA C 9 60.336 60.336 62.586 -2.249 18734 3146 1 8 . 1 1 9 9 VAL CB C 9 29.995 29.995 29.947 0.048 18734 3147 1 8 . 1 1 9 9 VAL H H 9 8.246 8.246 8.978 -0.732 18734 3148 1 8 . 1 1 10 10 GLY N N 10 114.968 114.968 115.784 -0.816 18734 3149 1 8 . 1 1 10 10 GLY CA C 10 42.318 42.318 46.006 -3.688 18734 3150 1 8 . 1 1 10 10 GLY H H 10 8.595 8.595 8.344 0.251 18734 3151 1 8 . 1 1 11 11 MET N N 11 120.532 120.532 118.108 2.424 18734 3152 1 8 . 1 1 11 11 MET CA C 11 53.802 53.802 55.875 -2.073 18734 3153 1 8 . 1 1 11 11 MET CB C 11 30.698 30.698 34.136 -3.438 18734 3154 1 8 . 1 1 11 11 MET H H 11 8.320 8.320 8.201 0.119 18734 3155 1 8 . 1 1 12 12 ASP N N 12 120.515 120.515 119.588 0.927 18734 3156 1 8 . 1 1 12 12 ASP HA H 12 4.637 4.637 4.794 -0.157 18734 3157 1 8 . 1 1 12 12 ASP CB C 12 38.090 38.090 43.084 -4.994 18734 3158 1 8 . 1 1 12 12 ASP H H 12 8.261 8.261 8.338 -0.077 18734 3159 1 8 . 1 1 13 13 LYS N N 13 123.685 123.685 118.915 4.770 18734 3160 1 8 . 1 1 13 13 LYS HA H 13 4.623 4.623 4.831 -0.208 18734 3161 1 8 . 1 1 13 13 LYS CA C 13 50.898 50.898 56.380 -5.482 18734 3162 1 8 . 1 1 13 13 LYS CB C 13 30.003 30.003 33.519 -3.516 18734 3163 1 8 . 1 1 13 13 LYS H H 13 8.579 8.579 8.738 -0.159 18734 3164 1 8 . 1 1 14 14 SER N N 14 115.048 115.048 115.315 -0.267 18734 3165 1 8 . 1 1 14 14 SER HA H 14 4.447 4.447 4.584 -0.137 18734 3166 1 8 . 1 1 14 14 SER CA C 14 56.917 56.917 60.052 -3.135 18734 3167 1 8 . 1 1 14 14 SER CB C 14 61.536 61.536 63.938 -2.402 18734 3168 1 8 . 1 1 14 14 SER H H 14 8.507 8.507 8.032 0.475 18734 3169 1 8 . 1 1 15 15 LEU N N 15 119.294 119.294 122.480 -3.186 18734 3170 1 8 . 1 1 15 15 LEU HA H 15 3.989 3.989 4.415 -0.426 18734 3171 1 8 . 1 1 15 15 LEU CA C 15 53.219 53.219 54.129 -0.909 18734 3172 1 8 . 1 1 15 15 LEU CB C 15 39.813 39.813 38.797 1.016 18734 3173 1 8 . 1 1 15 15 LEU H H 15 6.908 6.908 8.376 -1.468 18734 3174 1 8 . 1 1 16 16 PHE N N 16 117.103 117.103 120.984 -3.881 18734 3175 1 8 . 1 1 16 16 PHE HA H 16 4.397 4.397 4.470 -0.073 18734 3176 1 8 . 1 1 16 16 PHE CA C 16 56.719 56.719 59.639 -2.920 18734 3177 1 8 . 1 1 16 16 PHE CB C 16 37.917 37.917 39.181 -1.264 18734 3178 1 8 . 1 1 16 16 PHE H H 16 7.658 7.658 7.937 -0.279 18734 3179 1 8 . 1 1 17 17 ALA N N 17 120.694 120.694 121.933 -1.239 18734 3180 1 8 . 1 1 17 17 ALA HA H 17 3.964 3.964 4.395 -0.431 18734 3181 1 8 . 1 1 17 17 ALA CA C 17 51.840 51.840 53.147 -1.306 18734 3182 1 8 . 1 1 17 17 ALA CB C 17 15.004 15.004 17.048 -2.044 18734 3183 1 8 . 1 1 17 17 ALA H H 17 7.514 7.514 7.974 -0.460 18734 3184 1 8 . 1 1 18 18 GLY N N 18 110.007 110.007 111.643 -1.636 18734 3185 1 8 . 1 1 18 18 GLY CA C 18 43.150 43.150 45.238 -2.088 18734 3186 1 8 . 1 1 18 18 GLY H H 18 8.204 8.204 8.172 0.032 18734 3187 1 8 . 1 1 19 19 ASN N N 19 119.323 119.323 121.468 -2.145 18734 3188 1 8 . 1 1 19 19 ASN HA H 19 4.733 4.733 5.032 -0.298 18734 3189 1 8 . 1 1 19 19 ASN CB C 19 36.020 36.020 39.181 -3.161 18734 3190 1 8 . 1 1 19 19 ASN H H 19 8.124 8.124 7.841 0.283 18734 3191 1 8 . 1 1 20 20 THR N N 20 116.844 116.844 119.381 -2.537 18734 3192 1 8 . 1 1 20 20 THR HA H 20 4.243 4.243 4.293 -0.050 18734 3193 1 8 . 1 1 20 20 THR CA C 20 60.224 60.224 63.427 -3.203 18734 3194 1 8 . 1 1 20 20 THR CB C 20 66.167 66.167 67.303 -1.136 18734 3195 1 8 . 1 1 20 20 THR H H 20 8.400 8.400 8.921 -0.521 18734 3196 1 8 . 1 1 21 21 VAL N N 21 117.661 117.661 116.980 0.681 18734 3197 1 8 . 1 1 21 21 VAL HA H 21 4.161 4.161 4.231 -0.070 18734 3198 1 8 . 1 1 21 21 VAL CA C 21 59.739 59.739 61.880 -2.142 18734 3199 1 8 . 1 1 21 21 VAL CB C 21 31.224 31.224 34.085 -2.861 18734 3200 1 8 . 1 1 21 21 VAL H H 21 8.412 8.412 7.787 0.625 18734 3201 1 8 . 1 1 22 22 ILE N N 22 120.465 120.465 123.463 -2.998 18734 3202 1 8 . 1 1 22 22 ILE HA H 22 3.873 3.873 4.068 -0.195 18734 3203 1 8 . 1 1 22 22 ILE CA C 22 59.860 59.860 61.505 -1.645 18734 3204 1 8 . 1 1 22 22 ILE CB C 22 37.052 37.052 37.586 -0.534 18734 3205 1 8 . 1 1 22 22 ILE H H 22 7.300 7.300 7.396 -0.096 18734 3206 1 8 . 1 1 23 23 ARG N N 23 122.168 122.168 126.649 -4.481 18734 3207 1 8 . 1 1 23 23 ARG HA H 23 4.940 4.940 4.462 0.478 18734 3208 1 8 . 1 1 23 23 ARG CA C 23 54.175 54.175 57.756 -3.581 18734 3209 1 8 . 1 1 23 23 ARG CB C 23 30.921 30.921 30.894 0.027 18734 3210 1 8 . 1 1 23 23 ARG H H 23 8.328 8.328 8.252 0.076 18734 3211 1 8 . 1 1 24 24 GLU N N 24 117.968 117.968 116.242 1.726 18734 3212 1 8 . 1 1 24 24 GLU HA H 24 5.100 5.100 4.783 0.317 18734 3213 1 8 . 1 1 24 24 GLU CA C 24 51.948 51.948 55.276 -3.328 18734 3214 1 8 . 1 1 24 24 GLU CB C 24 30.737 30.737 33.349 -2.612 18734 3215 1 8 . 1 1 24 24 GLU H H 24 7.474 7.474 7.663 -0.189 18734 3216 1 8 . 1 1 25 25 ILE N N 25 121.135 121.135 124.954 -3.819 18734 3217 1 8 . 1 1 25 25 ILE HA H 25 4.205 4.205 4.479 -0.274 18734 3218 1 8 . 1 1 25 25 ILE CA C 25 57.149 57.149 60.295 -3.146 18734 3219 1 8 . 1 1 25 25 ILE CB C 25 39.882 39.882 41.269 -1.387 18734 3220 1 8 . 1 1 25 25 ILE H H 25 7.591 7.591 8.459 -0.868 18734 3221 1 8 . 1 1 26 26 THR N N 26 122.935 122.935 124.239 -1.304 18734 3222 1 8 . 1 1 26 26 THR HA H 26 4.999 4.999 4.706 0.293 18734 3223 1 8 . 1 1 26 26 THR CA C 26 59.185 59.185 62.512 -3.327 18734 3224 1 8 . 1 1 26 26 THR CB C 26 67.259 67.259 69.736 -2.477 18734 3225 1 8 . 1 1 26 26 THR H H 26 8.243 8.243 8.624 -0.381 18734 3226 1 8 . 1 1 27 27 VAL N N 27 124.220 124.220 125.782 -1.562 18734 3227 1 8 . 1 1 27 27 VAL HA H 27 4.421 4.421 4.543 -0.122 18734 3228 1 8 . 1 1 27 27 VAL CA C 27 58.144 58.144 61.223 -3.079 18734 3229 1 8 . 1 1 27 27 VAL CB C 27 30.727 30.727 34.288 -3.561 18734 3230 1 8 . 1 1 27 27 VAL H H 27 9.216 9.216 8.969 0.247 18734 3231 1 8 . 1 1 28 28 GLN N N 28 129.280 129.280 127.199 2.081 18734 3232 1 8 . 1 1 28 28 GLN HA H 28 4.702 4.702 5.041 -0.339 18734 3233 1 8 . 1 1 28 28 GLN CB C 28 25.480 25.480 28.809 -3.329 18734 3234 1 8 . 1 1 28 28 GLN H H 28 8.782 8.782 8.760 0.022 18734 3235 1 8 . 1 1 29 29 PRO HA H 29 3.457 3.457 3.027 0.430 18734 3236 1 8 . 1 1 29 29 PRO CA C 29 60.712 60.712 62.366 -1.654 18734 3237 1 8 . 1 1 29 29 PRO CB C 29 30.122 30.122 32.001 -1.879 18734 3238 1 8 . 1 1 30 30 ASN N N 30 113.396 113.396 115.790 -2.394 18734 3239 1 8 . 1 1 30 30 ASN HA H 30 4.329 4.329 4.228 0.101 18734 3240 1 8 . 1 1 30 30 ASN CA C 30 51.999 51.999 54.732 -2.733 18734 3241 1 8 . 1 1 30 30 ASN CB C 30 34.627 34.627 37.241 -2.614 18734 3242 1 8 . 1 1 30 30 ASN H H 30 8.199 8.199 8.516 -0.317 18734 3243 1 8 . 1 1 31 31 ILE N N 31 115.907 115.907 118.883 -2.976 18734 3244 1 8 . 1 1 31 31 ILE HA H 31 4.395 4.395 4.337 0.058 18734 3245 1 8 . 1 1 31 31 ILE CA C 31 57.434 57.434 59.769 -2.335 18734 3246 1 8 . 1 1 31 31 ILE CB C 31 36.859 36.859 38.353 -1.494 18734 3247 1 8 . 1 1 31 31 ILE H H 31 8.201 8.201 8.144 0.057 18734 3248 1 8 . 1 1 32 32 GLY N N 32 111.217 111.217 107.516 3.701 18734 3249 1 8 . 1 1 32 32 GLY CA C 32 41.729 41.729 44.240 -2.511 18734 3250 1 8 . 1 1 32 32 GLY H H 32 7.998 7.998 7.725 0.273 18734 3251 1 8 . 1 1 33 33 LEU N N 33 120.007 120.007 122.310 -2.303 18734 3252 1 8 . 1 1 33 33 LEU HA H 33 3.880 3.880 4.373 -0.493 18734 3253 1 8 . 1 1 33 33 LEU CA C 33 53.595 53.595 54.866 -1.271 18734 3254 1 8 . 1 1 33 33 LEU CB C 33 40.528 40.528 42.695 -2.167 18734 3255 1 8 . 1 1 33 33 LEU H H 33 7.820 7.820 8.466 -0.646 18734 3256 1 8 . 1 1 34 34 LEU N N 34 128.106 128.106 130.131 -2.025 18734 3257 1 8 . 1 1 34 34 LEU HA H 34 4.485 4.485 4.311 0.174 18734 3258 1 8 . 1 1 34 34 LEU CA C 34 51.078 51.078 53.887 -2.809 18734 3259 1 8 . 1 1 34 34 LEU CB C 34 37.447 37.447 39.923 -2.476 18734 3260 1 8 . 1 1 34 34 LEU H H 34 8.551 8.551 8.669 -0.119 18734 3261 1 8 . 1 1 35 35 TYR N N 35 121.473 121.473 120.995 0.478 18734 3262 1 8 . 1 1 35 35 TYR HA H 35 4.240 4.240 4.425 -0.185 18734 3263 1 8 . 1 1 35 35 TYR CA C 35 53.814 53.814 55.845 -2.031 18734 3264 1 8 . 1 1 35 35 TYR CB C 35 36.868 36.868 38.541 -1.673 18734 3265 1 8 . 1 1 35 35 TYR H H 35 6.363 6.363 7.888 -1.525 18734 3266 1 8 . 1 1 36 36 ASP N N 36 119.590 119.590 119.312 0.278 18734 3267 1 8 . 1 1 36 36 ASP HA H 36 3.980 3.980 4.594 -0.614 18734 3268 1 8 . 1 1 36 36 ASP CA C 36 52.760 52.760 53.965 -1.205 18734 3269 1 8 . 1 1 36 36 ASP CB C 36 37.119 37.119 40.697 -3.578 18734 3270 1 8 . 1 1 36 36 ASP H H 36 8.573 8.573 8.479 0.094 18734 3271 1 8 . 1 1 37 37 GLY N N 37 108.636 108.636 112.285 -3.649 18734 3272 1 8 . 1 1 37 37 GLY CA C 37 44.335 44.335 45.373 -1.038 18734 3273 1 8 . 1 1 37 37 GLY H H 37 7.903 7.903 8.853 -0.950 18734 3274 1 8 . 1 1 38 38 MET N N 38 120.339 120.339 120.072 0.267 18734 3275 1 8 . 1 1 38 38 MET HA H 38 3.631 3.631 3.585 0.046 18734 3276 1 8 . 1 1 38 38 MET CA C 38 56.101 56.101 58.218 -2.117 18734 3277 1 8 . 1 1 38 38 MET CB C 38 29.166 29.166 31.836 -2.670 18734 3278 1 8 . 1 1 38 38 MET H H 38 7.873 7.873 7.137 0.736 18734 3279 1 8 . 1 1 39 39 PHE N N 39 115.430 115.430 113.329 2.101 18734 3280 1 8 . 1 1 39 39 PHE HA H 39 4.908 4.908 4.864 0.044 18734 3281 1 8 . 1 1 39 39 PHE CA C 39 52.898 52.898 55.491 -2.593 18734 3282 1 8 . 1 1 39 39 PHE CB C 39 36.647 36.647 38.610 -1.963 18734 3283 1 8 . 1 1 39 39 PHE H H 39 8.504 8.504 7.524 0.980 18734 3284 1 8 . 1 1 40 40 SER N N 40 113.647 113.647 118.163 -4.516 18734 3285 1 8 . 1 1 40 40 SER HA H 40 4.238 4.238 4.144 0.094 18734 3286 1 8 . 1 1 40 40 SER CA C 40 56.954 56.954 61.169 -4.215 18734 3287 1 8 . 1 1 40 40 SER CB C 40 60.458 60.458 62.810 -2.352 18734 3288 1 8 . 1 1 40 40 SER H H 40 7.264 7.264 7.709 -0.445 18734 3289 1 8 . 1 1 41 41 GLY N N 41 115.225 115.225 112.500 2.725 18734 3290 1 8 . 1 1 41 41 GLY CA C 41 42.941 42.941 45.803 -2.862 18734 3291 1 8 . 1 1 41 41 GLY H H 41 9.110 9.110 8.730 0.380 18734 3292 1 8 . 1 1 42 42 CYS N N 42 120.385 120.385 122.699 -2.314 18734 3293 1 8 . 1 1 42 42 CYS HA H 42 4.761 4.761 4.548 0.213 18734 3294 1 8 . 1 1 42 42 CYS CB C 42 23.867 23.867 24.944 -1.077 18734 3295 1 8 . 1 1 42 42 CYS H H 42 7.929 7.929 8.263 -0.334 18734 3296 1 8 . 1 1 43 43 THR N N 43 113.920 113.920 118.400 -4.480 18734 3297 1 8 . 1 1 43 43 THR HA H 43 3.863 3.863 4.131 -0.268 18734 3298 1 8 . 1 1 43 43 THR CA C 43 61.663 61.663 65.107 -3.444 18734 3299 1 8 . 1 1 43 43 THR CB C 43 66.027 66.027 68.484 -2.457 18734 3300 1 8 . 1 1 43 43 THR H H 43 7.495 7.495 8.259 -0.764 18734 3301 1 8 . 1 1 44 44 ALA N N 44 123.479 123.479 122.802 0.677 18734 3302 1 8 . 1 1 44 44 ALA HA H 44 4.477 4.477 4.263 0.214 18734 3303 1 8 . 1 1 44 44 ALA CA C 44 48.198 48.198 52.605 -4.407 18734 3304 1 8 . 1 1 44 44 ALA CB C 44 17.096 17.096 18.441 -1.345 18734 3305 1 8 . 1 1 44 44 ALA H H 44 8.551 8.551 8.408 0.143 18734 3306 1 8 . 1 1 45 45 LEU N N 45 121.070 121.070 121.471 -0.401 18734 3307 1 8 . 1 1 45 45 LEU HA H 45 3.981 3.981 4.482 -0.501 18734 3308 1 8 . 1 1 45 45 LEU CA C 45 53.838 53.838 54.892 -1.054 18734 3309 1 8 . 1 1 45 45 LEU CB C 45 40.243 40.243 42.043 -1.800 18734 3310 1 8 . 1 1 45 45 LEU H H 45 6.819 6.819 7.278 -0.459 18734 3311 1 8 . 1 1 46 46 GLU N N 46 128.627 128.627 124.584 4.043 18734 3312 1 8 . 1 1 46 46 GLU HA H 46 4.511 4.511 4.739 -0.228 18734 3313 1 8 . 1 1 46 46 GLU CA C 46 54.357 54.357 55.706 -1.349 18734 3314 1 8 . 1 1 46 46 GLU CB C 46 29.883 29.883 31.221 -1.338 18734 3315 1 8 . 1 1 46 46 GLU H H 46 9.401 9.401 8.277 1.124 18734 3316 1 8 . 1 1 47 47 LYS N N 47 116.297 116.297 119.832 -3.535 18734 3317 1 8 . 1 1 47 47 LYS HA H 47 5.128 5.128 4.866 0.262 18734 3318 1 8 . 1 1 47 47 LYS CA C 47 52.808 52.808 55.024 -2.216 18734 3319 1 8 . 1 1 47 47 LYS CB C 47 35.325 35.325 36.451 -1.126 18734 3320 1 8 . 1 1 47 47 LYS H H 47 7.171 7.171 7.808 -0.637 18734 3321 1 8 . 1 1 48 48 LEU N N 48 125.474 125.474 123.990 1.484 18734 3322 1 8 . 1 1 48 48 LEU HA H 48 4.403 4.403 5.087 -0.684 18734 3323 1 8 . 1 1 48 48 LEU CA C 48 50.489 50.489 53.623 -3.134 18734 3324 1 8 . 1 1 48 48 LEU CB C 48 41.991 41.991 45.873 -3.882 18734 3325 1 8 . 1 1 48 48 LEU H H 48 8.715 8.715 8.143 0.572 18734 3326 1 8 . 1 1 49 49 ILE N N 49 127.246 127.246 124.503 2.743 18734 3327 1 8 . 1 1 49 49 ILE HA H 49 4.145 4.145 4.756 -0.611 18734 3328 1 8 . 1 1 49 49 ILE CA C 49 58.314 58.314 60.283 -1.969 18734 3329 1 8 . 1 1 49 49 ILE CB C 49 36.125 36.125 41.963 -5.838 18734 3330 1 8 . 1 1 49 49 ILE H H 49 9.131 9.131 8.807 0.324 18734 3331 1 8 . 1 1 50 50 LEU N N 50 128.685 128.685 126.102 2.583 18734 3332 1 8 . 1 1 50 50 LEU HA H 50 4.417 4.417 5.243 -0.826 18734 3333 1 8 . 1 1 50 50 LEU CA C 50 50.414 50.414 53.533 -3.119 18734 3334 1 8 . 1 1 50 50 LEU CB C 50 36.390 36.390 43.097 -6.707 18734 3335 1 8 . 1 1 50 50 LEU H H 50 8.553 8.553 8.353 0.200 18734 3336 1 8 . 1 1 51 51 THR N N 51 109.751 109.751 114.490 -4.739 18734 3337 1 8 . 1 1 51 51 THR HA H 51 3.935 3.935 4.436 -0.501 18734 3338 1 8 . 1 1 51 51 THR CA C 51 60.194 60.194 62.270 -2.076 18734 3339 1 8 . 1 1 51 51 THR CB C 51 66.107 66.107 68.999 -2.892 18734 3340 1 8 . 1 1 51 51 THR H H 51 6.964 6.964 8.691 -1.727 18734 3341 1 8 . 1 1 52 52 GLY N N 52 108.656 108.656 110.576 -1.920 18734 3342 1 8 . 1 1 52 52 GLY CA C 52 42.432 42.432 44.179 -1.747 18734 3343 1 8 . 1 1 52 52 GLY H H 52 8.409 8.409 7.865 0.544 18734 3344 1 8 . 1 1 53 53 GLU N N 53 119.733 119.733 117.030 2.703 18734 3345 1 8 . 1 1 53 53 GLU HA H 53 4.061 4.061 4.458 -0.397 18734 3346 1 8 . 1 1 53 53 GLU CA C 53 54.296 54.296 56.109 -1.813 18734 3347 1 8 . 1 1 53 53 GLU CB C 53 27.425 27.425 30.860 -3.435 18734 3348 1 8 . 1 1 53 53 GLU H H 53 8.741 8.741 8.529 0.212 18734 3349 1 8 . 1 1 54 54 ASP N N 54 118.231 118.231 119.821 -1.590 18734 3350 1 8 . 1 1 54 54 ASP HA H 54 5.035 5.035 5.042 -0.007 18734 3351 1 8 . 1 1 54 54 ASP CA C 54 46.882 46.882 50.889 -4.007 18734 3352 1 8 . 1 1 54 54 ASP CB C 54 39.822 39.822 43.890 -4.068 18734 3353 1 8 . 1 1 54 54 ASP H H 54 8.309 8.309 7.948 0.361 18734 3354 1 8 . 1 1 55 55 PRO HA H 55 3.920 3.920 3.270 0.650 18734 3355 1 8 . 1 1 55 55 PRO CA C 55 61.140 61.140 63.795 -2.655 18734 3356 1 8 . 1 1 55 55 PRO CB C 55 30.606 30.606 31.668 -1.062 18734 3357 1 8 . 1 1 56 56 SER N N 56 108.966 108.966 115.282 -6.316 18734 3358 1 8 . 1 1 56 56 SER HA H 56 4.494 4.494 4.410 0.083 18734 3359 1 8 . 1 1 56 56 SER CA C 56 57.752 57.752 60.181 -2.429 18734 3360 1 8 . 1 1 56 56 SER CB C 56 60.574 60.574 63.034 -2.460 18734 3361 1 8 . 1 1 56 56 SER H H 56 7.998 7.998 8.055 -0.057 18734 3362 1 8 . 1 1 57 57 ALA N N 57 123.346 123.346 122.131 1.215 18734 3363 1 8 . 1 1 57 57 ALA HA H 57 4.197 4.197 4.267 -0.070 18734 3364 1 8 . 1 1 57 57 ALA CA C 57 49.452 49.452 53.407 -3.955 18734 3365 1 8 . 1 1 57 57 ALA CB C 57 17.341 17.341 19.426 -2.085 18734 3366 1 8 . 1 1 57 57 ALA H H 57 7.770 7.770 8.276 -0.506 18734 3367 1 8 . 1 1 58 58 TYR N N 58 118.640 118.640 116.149 2.491 18734 3368 1 8 . 1 1 58 58 TYR HA H 58 4.844 4.844 4.745 0.099 18734 3369 1 8 . 1 1 58 58 TYR CA C 58 54.841 54.841 57.797 -2.956 18734 3370 1 8 . 1 1 58 58 TYR CB C 58 39.626 39.626 42.843 -3.217 18734 3371 1 8 . 1 1 58 58 TYR H H 58 7.878 7.878 7.621 0.257 18734 3372 1 8 . 1 1 59 59 SER N N 59 118.841 118.841 114.674 4.167 18734 3373 1 8 . 1 1 59 59 SER HA H 59 4.584 4.584 4.994 -0.410 18734 3374 1 8 . 1 1 59 59 SER CA C 59 54.332 54.332 57.770 -3.438 18734 3375 1 8 . 1 1 59 59 SER CB C 59 62.866 62.866 66.159 -3.293 18734 3376 1 8 . 1 1 59 59 SER H H 59 9.289 9.289 8.949 0.340 18734 3377 1 8 . 1 1 60 60 ALA N N 60 125.034 125.034 126.491 -1.457 18734 3378 1 8 . 1 1 60 60 ALA HA H 60 4.726 4.726 5.547 -0.821 18734 3379 1 8 . 1 1 60 60 ALA CB C 60 20.233 20.233 21.731 -1.498 18734 3380 1 8 . 1 1 60 60 ALA H H 60 7.473 7.473 8.547 -1.074 18734 3381 1 8 . 1 1 61 61 GLY N N 61 109.267 109.267 106.973 2.294 18734 3382 1 8 . 1 1 61 61 GLY CA C 61 41.504 41.504 44.520 -3.016 18734 3383 1 8 . 1 1 61 61 GLY H H 61 9.368 9.368 8.268 1.100 18734 3384 1 8 . 1 1 62 62 ASP N N 62 121.898 121.898 121.245 0.653 18734 3385 1 8 . 1 1 62 62 ASP HA H 62 4.673 4.673 4.636 0.037 18734 3386 1 8 . 1 1 62 62 ASP CB C 62 38.468 38.468 41.008 -2.540 18734 3387 1 8 . 1 1 62 62 ASP H H 62 9.236 9.236 8.547 0.689 18734 3388 1 8 . 1 1 63 63 GLY N N 63 111.438 111.438 107.155 4.283 18734 3389 1 8 . 1 1 63 63 GLY CA C 63 43.099 43.099 44.996 -1.897 18734 3390 1 8 . 1 1 63 63 GLY H H 63 8.774 8.774 7.644 1.130 18734 3391 1 8 . 1 1 64 64 LEU N N 64 125.900 125.900 124.350 1.550 18734 3392 1 8 . 1 1 64 64 LEU HA H 64 4.169 4.169 4.090 0.079 18734 3393 1 8 . 1 1 64 64 LEU CA C 64 56.103 56.103 57.078 -0.975 18734 3394 1 8 . 1 1 64 64 LEU CB C 64 40.431 40.431 42.281 -1.850 18734 3395 1 8 . 1 1 64 64 LEU H H 64 7.483 7.483 7.784 -0.301 18734 3396 1 8 . 1 1 65 65 ARG N N 65 111.696 111.696 113.926 -2.230 18734 3397 1 8 . 1 1 65 65 ARG HA H 65 4.057 4.057 4.423 -0.366 18734 3398 1 8 . 1 1 65 65 ARG CA C 65 51.787 51.787 54.190 -2.403 18734 3399 1 8 . 1 1 65 65 ARG CB C 65 26.474 26.474 29.465 -2.991 18734 3400 1 8 . 1 1 65 65 ARG H H 65 8.071 8.071 7.790 0.281 18734 3401 1 8 . 1 1 66 66 ASP N N 66 120.559 120.559 121.799 -1.240 18734 3402 1 8 . 1 1 66 66 ASP HA H 66 4.121 4.121 4.379 -0.258 18734 3403 1 8 . 1 1 66 66 ASP CA C 66 53.462 53.462 56.075 -2.612 18734 3404 1 8 . 1 1 66 66 ASP CB C 66 37.557 37.557 41.824 -4.267 18734 3405 1 8 . 1 1 66 66 ASP H H 66 7.293 7.293 7.718 -0.425 18734 3406 1 8 . 1 1 67 67 GLY N N 67 110.131 110.131 110.391 -0.260 18734 3407 1 8 . 1 1 67 67 GLY CA C 67 43.985 43.985 45.936 -1.951 18734 3408 1 8 . 1 1 67 67 GLY H H 67 8.695 8.695 8.577 0.118 18734 3409 1 8 . 1 1 68 68 ALA N N 68 123.462 123.462 122.241 1.221 18734 3410 1 8 . 1 1 68 68 ALA HA H 68 4.385 4.385 4.611 -0.226 18734 3411 1 8 . 1 1 68 68 ALA CA C 68 49.065 49.065 51.424 -2.359 18734 3412 1 8 . 1 1 68 68 ALA CB C 68 19.402 19.402 21.806 -2.404 18734 3413 1 8 . 1 1 68 68 ALA H H 68 8.058 8.058 7.328 0.730 18734 3414 1 8 . 1 1 69 69 ASP N N 69 116.343 116.343 118.471 -2.128 18734 3415 1 8 . 1 1 69 69 ASP HA H 69 4.524 4.524 4.678 -0.154 18734 3416 1 8 . 1 1 69 69 ASP CA C 69 51.240 51.240 54.197 -2.957 18734 3417 1 8 . 1 1 69 69 ASP CB C 69 39.076 39.076 42.154 -3.078 18734 3418 1 8 . 1 1 69 69 ASP H H 69 8.721 8.721 8.457 0.264 18734 3419 1 8 . 1 1 70 70 PHE N N 70 113.658 113.658 118.756 -5.098 18734 3420 1 8 . 1 1 70 70 PHE HA H 70 4.648 4.648 5.206 -0.558 18734 3421 1 8 . 1 1 70 70 PHE CA C 70 52.114 52.114 55.006 -2.892 18734 3422 1 8 . 1 1 70 70 PHE CB C 70 38.375 38.375 41.643 -3.268 18734 3423 1 8 . 1 1 70 70 PHE H H 70 5.865 5.865 7.176 -1.311 18734 3424 1 8 . 1 1 71 71 LEU N N 71 119.766 119.766 120.201 -0.435 18734 3425 1 8 . 1 1 71 71 LEU HA H 71 4.915 4.915 4.900 0.015 18734 3426 1 8 . 1 1 71 71 LEU CA C 71 50.797 50.797 54.507 -3.710 18734 3427 1 8 . 1 1 71 71 LEU CB C 71 41.482 41.482 44.336 -2.854 18734 3428 1 8 . 1 1 71 71 LEU H H 71 7.964 7.964 8.751 -0.787 18734 3429 1 8 . 1 1 72 72 ILE N N 72 123.675 123.675 120.233 3.442 18734 3430 1 8 . 1 1 72 72 ILE HA H 72 4.728 4.728 4.665 0.063 18734 3431 1 8 . 1 1 72 72 ILE CB C 72 36.921 36.921 39.453 -2.532 18734 3432 1 8 . 1 1 72 72 ILE H H 72 9.073 9.073 9.082 -0.009 18734 3433 1 8 . 1 1 73 73 CYS N N 73 125.409 125.409 127.816 -2.407 18734 3434 1 8 . 1 1 73 73 CYS HA H 73 5.534 5.534 5.416 0.118 18734 3435 1 8 . 1 1 73 73 CYS CA C 73 54.056 54.056 58.697 -4.641 18734 3436 1 8 . 1 1 73 73 CYS CB C 73 27.753 27.753 28.264 -0.511 18734 3437 1 8 . 1 1 73 73 CYS H H 73 9.060 9.060 9.032 0.028 18734 3438 1 8 . 1 1 74 74 VAL N N 74 114.408 114.408 117.956 -3.548 18734 3439 1 8 . 1 1 74 74 VAL HA H 74 4.951 4.951 4.711 0.240 18734 3440 1 8 . 1 1 74 74 VAL CA C 74 54.229 54.229 57.793 -3.564 18734 3441 1 8 . 1 1 74 74 VAL CB C 74 29.675 29.675 34.548 -4.873 18734 3442 1 8 . 1 1 74 74 VAL H H 74 7.938 7.938 8.738 -0.800 18734 3443 1 8 . 1 1 75 75 PRO HA H 75 4.283 4.283 4.637 -0.354 18734 3444 1 8 . 1 1 75 75 PRO CA C 75 60.889 60.889 62.385 -1.496 18734 3445 1 8 . 1 1 75 75 PRO CB C 75 29.499 29.499 32.610 -3.111 18734 3446 1 8 . 1 1 76 76 GLU N N 76 126.159 126.159 124.183 1.976 18734 3447 1 8 . 1 1 76 76 GLU HA H 76 3.664 3.664 3.808 -0.144 18734 3448 1 8 . 1 1 76 76 GLU CA C 76 58.112 58.112 59.804 -1.692 18734 3449 1 8 . 1 1 76 76 GLU CB C 76 26.894 26.894 28.971 -2.077 18734 3450 1 8 . 1 1 76 76 GLU H H 76 9.130 9.130 8.980 0.150 18734 3451 1 8 . 1 1 77 77 GLU N N 77 117.145 117.145 119.968 -2.823 18734 3452 1 8 . 1 1 77 77 GLU HA H 77 4.100 4.100 4.159 -0.059 18734 3453 1 8 . 1 1 77 77 GLU CA C 77 55.734 55.734 57.815 -2.081 18734 3454 1 8 . 1 1 77 77 GLU CB C 77 26.315 26.315 29.273 -2.958 18734 3455 1 8 . 1 1 77 77 GLU H H 77 9.350 9.350 8.640 0.710 18734 3456 1 8 . 1 1 78 78 ALA N N 78 120.398 120.398 119.571 0.827 18734 3457 1 8 . 1 1 78 78 ALA HA H 78 4.699 4.699 4.596 0.103 18734 3458 1 8 . 1 1 78 78 ALA CB C 78 18.962 18.962 19.663 -0.701 18734 3459 1 8 . 1 1 78 78 ALA H H 78 8.044 8.044 7.894 0.150 18734 3460 1 8 . 1 1 79 79 LEU N N 79 122.497 122.497 121.814 0.683 18734 3461 1 8 . 1 1 79 79 LEU HA H 79 3.710 3.710 3.910 -0.200 18734 3462 1 8 . 1 1 79 79 LEU CA C 79 56.837 56.837 58.102 -1.265 18734 3463 1 8 . 1 1 79 79 LEU CB C 79 40.952 40.952 41.824 -0.872 18734 3464 1 8 . 1 1 79 79 LEU H H 79 7.331 7.331 7.600 -0.269 18734 3465 1 8 . 1 1 80 80 ASP N N 80 116.432 116.432 118.308 -1.876 18734 3466 1 8 . 1 1 80 80 ASP HA H 80 4.357 4.357 4.307 0.050 18734 3467 1 8 . 1 1 80 80 ASP CA C 80 54.751 54.751 57.653 -2.902 18734 3468 1 8 . 1 1 80 80 ASP CB C 80 38.534 38.534 40.487 -1.954 18734 3469 1 8 . 1 1 80 80 ASP H H 80 8.305 8.305 8.551 -0.246 18734 3470 1 8 . 1 1 81 81 ARG N N 81 119.433 119.433 119.264 0.169 18734 3471 1 8 . 1 1 81 81 ARG HA H 81 3.894 3.894 3.995 -0.101 18734 3472 1 8 . 1 1 81 81 ARG CA C 81 56.473 56.473 59.498 -3.025 18734 3473 1 8 . 1 1 81 81 ARG CB C 81 27.481 27.481 30.216 -2.735 18734 3474 1 8 . 1 1 81 81 ARG H H 81 7.638 7.638 8.174 -0.536 18734 3475 1 8 . 1 1 82 82 TYR N N 82 116.397 116.397 114.885 1.512 18734 3476 1 8 . 1 1 82 82 TYR HA H 82 3.830 3.830 4.240 -0.410 18734 3477 1 8 . 1 1 82 82 TYR CA C 82 61.170 61.170 60.597 0.573 18734 3478 1 8 . 1 1 82 82 TYR CB C 82 37.031 37.031 38.151 -1.120 18734 3479 1 8 . 1 1 82 82 TYR H H 82 8.198 8.198 7.942 0.256 18734 3480 1 8 . 1 1 83 83 ARG N N 83 113.114 113.114 119.094 -5.980 18734 3481 1 8 . 1 1 83 83 ARG HA H 83 3.728 3.728 4.125 -0.397 18734 3482 1 8 . 1 1 83 83 ARG CA C 83 58.115 58.115 59.516 -1.401 18734 3483 1 8 . 1 1 83 83 ARG CB C 83 28.107 28.107 29.988 -1.881 18734 3484 1 8 . 1 1 83 83 ARG H H 83 8.151 8.151 8.371 -0.220 18734 3485 1 8 . 1 1 84 84 ARG N N 84 111.791 111.791 116.934 -5.143 18734 3486 1 8 . 1 1 84 84 ARG HA H 84 4.386 4.386 4.319 0.067 18734 3487 1 8 . 1 1 84 84 ARG CA C 84 52.335 52.335 56.732 -4.397 18734 3488 1 8 . 1 1 84 84 ARG CB C 84 27.987 27.987 30.542 -2.555 18734 3489 1 8 . 1 1 84 84 ARG H H 84 7.571 7.571 7.838 -0.267 18734 3490 1 8 . 1 1 85 85 ASP N N 85 123.157 123.157 119.960 3.197 18734 3491 1 8 . 1 1 85 85 ASP HA H 85 4.373 4.373 4.640 -0.267 18734 3492 1 8 . 1 1 85 85 ASP CA C 85 52.852 52.852 54.620 -1.768 18734 3493 1 8 . 1 1 85 85 ASP CB C 85 42.482 42.482 42.200 0.282 18734 3494 1 8 . 1 1 85 85 ASP H H 85 7.200 7.200 7.624 -0.424 18734 3495 1 8 . 1 1 86 86 TYR N N 86 123.389 123.389 127.933 -4.544 18734 3496 1 8 . 1 1 86 86 TYR HA H 86 4.092 4.092 4.501 -0.409 18734 3497 1 8 . 1 1 86 86 TYR CA C 86 58.674 58.674 57.845 0.829 18734 3498 1 8 . 1 1 86 86 TYR CB C 86 35.801 35.801 37.187 -1.386 18734 3499 1 8 . 1 1 86 86 TYR H H 86 8.440 8.440 9.104 -0.664 18734 3500 1 8 . 1 1 87 87 PHE N N 87 117.092 117.092 119.924 -2.832 18734 3501 1 8 . 1 1 87 87 PHE HA H 87 4.378 4.378 4.751 -0.373 18734 3502 1 8 . 1 1 87 87 PHE CA C 87 57.433 57.433 57.786 -0.353 18734 3503 1 8 . 1 1 87 87 PHE CB C 87 37.442 37.442 39.433 -1.991 18734 3504 1 8 . 1 1 87 87 PHE H H 87 7.931 7.931 8.125 -0.194 18734 3505 1 8 . 1 1 88 88 TRP N N 88 121.396 121.396 121.425 -0.029 18734 3506 1 8 . 1 1 88 88 TRP HA H 88 3.798 3.798 4.266 -0.468 18734 3507 1 8 . 1 1 88 88 TRP CA C 88 59.544 59.544 61.357 -1.813 18734 3508 1 8 . 1 1 88 88 TRP CB C 88 26.293 26.293 29.310 -3.017 18734 3509 1 8 . 1 1 88 88 TRP H H 88 9.757 9.757 8.958 0.799 18734 3510 1 8 . 1 1 89 89 GLN N N 89 117.760 117.760 120.330 -2.570 18734 3511 1 8 . 1 1 89 89 GLN HA H 89 4.393 4.393 4.064 0.329 18734 3512 1 8 . 1 1 89 89 GLN CA C 89 55.882 55.882 59.293 -3.411 18734 3513 1 8 . 1 1 89 89 GLN CB C 89 30.198 30.198 28.346 1.852 18734 3514 1 8 . 1 1 89 89 GLN H H 89 8.490 8.490 7.950 0.540 18734 3515 1 8 . 1 1 90 90 THR N N 90 118.285 118.285 113.465 4.820 18734 3516 1 8 . 1 1 90 90 THR HA H 90 3.686 3.686 4.223 -0.537 18734 3517 1 8 . 1 1 90 90 THR CA C 90 62.770 62.770 64.374 -1.604 18734 3518 1 8 . 1 1 90 90 THR CB C 90 66.664 66.664 68.816 -2.152 18734 3519 1 8 . 1 1 90 90 THR H H 90 7.932 7.932 7.894 0.038 18734 3520 1 8 . 1 1 91 91 TYR N N 91 118.448 118.448 118.055 0.393 18734 3521 1 8 . 1 1 91 91 TYR HA H 91 4.975 4.975 5.134 -0.159 18734 3522 1 8 . 1 1 91 91 TYR CA C 91 55.511 55.511 57.454 -1.943 18734 3523 1 8 . 1 1 91 91 TYR CB C 91 37.126 37.126 38.995 -1.869 18734 3524 1 8 . 1 1 91 91 TYR H H 91 8.009 8.009 8.017 -0.008 18734 3525 1 8 . 1 1 92 92 ALA N N 92 122.351 122.351 124.906 -2.555 18734 3526 1 8 . 1 1 92 92 ALA HA H 92 3.843 3.843 4.083 -0.240 18734 3527 1 8 . 1 1 92 92 ALA CA C 92 54.108 54.108 54.878 -0.770 18734 3528 1 8 . 1 1 92 92 ALA CB C 92 16.505 16.505 18.204 -1.699 18734 3529 1 8 . 1 1 92 92 ALA H H 92 7.665 7.665 8.034 -0.369 18734 3530 1 8 . 1 1 93 93 ALA N N 93 117.548 117.548 119.396 -1.848 18734 3531 1 8 . 1 1 93 93 ALA HA H 93 3.702 3.702 3.818 -0.116 18734 3532 1 8 . 1 1 93 93 ALA CA C 93 51.371 51.371 53.449 -2.078 18734 3533 1 8 . 1 1 93 93 ALA CB C 93 14.292 14.292 17.575 -3.283 18734 3534 1 8 . 1 1 93 93 ALA H H 93 8.275 8.275 8.422 -0.147 18734 3535 1 8 . 1 1 94 94 TRP N N 94 115.303 115.303 113.955 1.348 18734 3536 1 8 . 1 1 94 94 TRP HA H 94 4.669 4.669 5.021 -0.352 18734 3537 1 8 . 1 1 94 94 TRP CB C 94 26.912 26.912 31.074 -4.162 18734 3538 1 8 . 1 1 94 94 TRP H H 94 8.203 8.203 7.973 0.230 18734 3539 1 8 . 1 1 95 95 ILE N N 95 120.680 120.680 121.702 -1.022 18734 3540 1 8 . 1 1 95 95 ILE HA H 95 5.325 5.325 4.723 0.602 18734 3541 1 8 . 1 1 95 95 ILE CA C 95 57.930 57.930 61.265 -3.335 18734 3542 1 8 . 1 1 95 95 ILE CB C 95 36.508 36.508 38.289 -1.781 18734 3543 1 8 . 1 1 95 95 ILE H H 95 7.153 7.153 7.471 -0.318 18734 3544 1 8 . 1 1 96 96 GLN N N 96 128.223 128.223 126.679 1.544 18734 3545 1 8 . 1 1 96 96 GLN HA H 96 4.691 4.691 4.856 -0.165 18734 3546 1 8 . 1 1 96 96 GLN CB C 96 28.885 28.885 29.619 -0.734 18734 3547 1 8 . 1 1 96 96 GLN H H 96 9.189 9.189 8.629 0.560 18734 3548 1 8 . 1 1 97 97 PRO HA H 97 4.833 4.833 4.770 0.063 18734 3549 1 8 . 1 1 97 97 PRO CA C 97 59.122 59.122 62.676 -3.554 18734 3550 1 8 . 1 1 97 97 PRO CB C 97 29.515 29.515 32.373 -2.858 18734 3551 1 8 . 1 1 98 98 MET N N 98 120.815 120.815 121.337 -0.522 18734 3552 1 8 . 1 1 98 98 MET HA H 98 4.116 4.116 4.430 -0.314 18734 3553 1 8 . 1 1 98 98 MET CA C 98 52.944 52.944 56.160 -3.216 18734 3554 1 8 . 1 1 98 98 MET CB C 98 30.981 30.981 33.202 -2.221 18734 3555 1 8 . 1 1 98 98 MET H H 98 8.551 8.551 8.291 0.260 18734 3556 1 8 . 1 1 99 99 GLU N N 99 124.677 124.677 121.324 3.353 18734 3557 1 8 . 1 1 99 99 GLU HA H 99 4.220 4.220 4.517 -0.297 18734 3558 1 8 . 1 1 99 99 GLU CA C 99 53.952 53.952 55.694 -1.742 18734 3559 1 8 . 1 1 99 99 GLU CB C 99 27.803 27.803 30.241 -2.438 18734 3560 1 8 . 1 1 99 99 GLU H H 99 8.532 8.532 8.343 0.189 18734 3561 1 9 . 1 1 2 2 SER HA H 2 4.373 4.373 4.340 0.033 18734 3562 1 9 . 1 1 2 2 SER CA C 2 55.756 55.756 58.442 -2.686 18734 3563 1 9 . 1 1 2 2 SER CB C 2 61.143 61.143 63.221 -2.078 18734 3564 1 9 . 1 1 3 3 HIS HA H 3 4.613 4.613 4.320 0.293 18734 3565 1 9 . 1 1 3 3 HIS CA C 3 52.991 52.991 57.227 -4.236 18734 3566 1 9 . 1 1 3 3 HIS CB C 3 26.607 26.607 27.884 -1.277 18734 3567 1 9 . 1 1 4 4 GLU N N 4 122.124 122.124 119.119 3.005 18734 3568 1 9 . 1 1 4 4 GLU HA H 4 4.171 4.171 4.587 -0.416 18734 3569 1 9 . 1 1 4 4 GLU CA C 4 54.441 54.441 55.353 -0.912 18734 3570 1 9 . 1 1 4 4 GLU CB C 4 27.585 27.585 33.232 -5.647 18734 3571 1 9 . 1 1 4 4 GLU H H 4 8.415 8.415 7.957 0.458 18734 3572 1 9 . 1 1 5 5 GLY N N 5 110.434 110.434 107.639 2.795 18734 3573 1 9 . 1 1 5 5 GLY CA C 5 42.610 42.610 44.716 -2.106 18734 3574 1 9 . 1 1 5 5 GLY H H 5 8.488 8.488 8.212 0.276 18734 3575 1 9 . 1 1 6 6 GLU N N 6 121.376 121.376 121.664 -0.288 18734 3576 1 9 . 1 1 6 6 GLU HA H 6 4.560 4.560 4.466 0.094 18734 3577 1 9 . 1 1 6 6 GLU CA C 6 51.629 51.629 53.417 -1.788 18734 3578 1 9 . 1 1 6 6 GLU CB C 6 26.998 26.998 30.427 -3.429 18734 3579 1 9 . 1 1 6 6 GLU H H 6 7.954 7.954 8.497 -0.543 18734 3580 1 9 . 1 1 7 7 PRO HA H 7 4.464 4.464 3.992 0.472 18734 3581 1 9 . 1 1 7 7 PRO CA C 7 60.517 60.517 62.327 -1.810 18734 3582 1 9 . 1 1 7 7 PRO CB C 7 29.486 29.486 30.332 -0.846 18734 3583 1 9 . 1 1 8 8 VAL N N 8 120.493 120.493 118.785 1.708 18734 3584 1 9 . 1 1 8 8 VAL HA H 8 4.387 4.387 4.378 0.009 18734 3585 1 9 . 1 1 8 8 VAL CA C 8 58.483 58.483 59.196 -0.713 18734 3586 1 9 . 1 1 8 8 VAL CB C 8 31.177 31.177 35.333 -4.156 18734 3587 1 9 . 1 1 8 8 VAL H H 8 8.177 8.177 7.609 0.568 18734 3588 1 9 . 1 1 9 9 VAL N N 9 124.516 124.516 125.963 -1.447 18734 3589 1 9 . 1 1 9 9 VAL HA H 9 4.024 4.024 4.654 -0.630 18734 3590 1 9 . 1 1 9 9 VAL CA C 9 60.336 60.336 61.010 -0.674 18734 3591 1 9 . 1 1 9 9 VAL CB C 9 29.995 29.995 31.162 -1.167 18734 3592 1 9 . 1 1 9 9 VAL H H 9 8.246 8.246 8.739 -0.493 18734 3593 1 9 . 1 1 10 10 GLY N N 10 114.968 114.968 114.991 -0.023 18734 3594 1 9 . 1 1 10 10 GLY CA C 10 42.318 42.318 44.618 -2.300 18734 3595 1 9 . 1 1 10 10 GLY H H 10 8.595 8.595 7.967 0.628 18734 3596 1 9 . 1 1 11 11 MET N N 11 120.532 120.532 118.618 1.914 18734 3597 1 9 . 1 1 11 11 MET CA C 11 53.802 53.802 56.523 -2.721 18734 3598 1 9 . 1 1 11 11 MET CB C 11 30.698 30.698 31.820 -1.123 18734 3599 1 9 . 1 1 11 11 MET H H 11 8.320 8.320 8.415 -0.095 18734 3600 1 9 . 1 1 12 12 ASP N N 12 120.515 120.515 118.985 1.530 18734 3601 1 9 . 1 1 12 12 ASP HA H 12 4.637 4.637 4.856 -0.219 18734 3602 1 9 . 1 1 12 12 ASP CB C 12 38.090 38.090 42.871 -4.781 18734 3603 1 9 . 1 1 12 12 ASP H H 12 8.261 8.261 8.180 0.081 18734 3604 1 9 . 1 1 13 13 LYS N N 13 123.685 123.685 124.787 -1.102 18734 3605 1 9 . 1 1 13 13 LYS HA H 13 4.623 4.623 4.801 -0.178 18734 3606 1 9 . 1 1 13 13 LYS CA C 13 50.898 50.898 55.975 -5.077 18734 3607 1 9 . 1 1 13 13 LYS CB C 13 30.003 30.003 30.726 -0.723 18734 3608 1 9 . 1 1 13 13 LYS H H 13 8.579 8.579 8.635 -0.056 18734 3609 1 9 . 1 1 14 14 SER N N 14 115.048 115.048 116.231 -1.183 18734 3610 1 9 . 1 1 14 14 SER HA H 14 4.447 4.447 4.632 -0.185 18734 3611 1 9 . 1 1 14 14 SER CA C 14 56.917 56.917 59.451 -2.534 18734 3612 1 9 . 1 1 14 14 SER CB C 14 61.536 61.536 64.255 -2.719 18734 3613 1 9 . 1 1 14 14 SER H H 14 8.507 8.507 8.977 -0.470 18734 3614 1 9 . 1 1 15 15 LEU N N 15 119.294 119.294 120.264 -0.970 18734 3615 1 9 . 1 1 15 15 LEU HA H 15 3.989 3.989 4.537 -0.548 18734 3616 1 9 . 1 1 15 15 LEU CA C 15 53.219 53.219 55.233 -2.014 18734 3617 1 9 . 1 1 15 15 LEU CB C 15 39.813 39.813 42.418 -2.605 18734 3618 1 9 . 1 1 15 15 LEU H H 15 6.908 6.908 8.355 -1.447 18734 3619 1 9 . 1 1 16 16 PHE N N 16 117.103 117.103 119.548 -2.445 18734 3620 1 9 . 1 1 16 16 PHE HA H 16 4.397 4.397 4.506 -0.109 18734 3621 1 9 . 1 1 16 16 PHE CA C 16 56.719 56.719 59.788 -3.069 18734 3622 1 9 . 1 1 16 16 PHE CB C 16 37.917 37.917 39.039 -1.122 18734 3623 1 9 . 1 1 16 16 PHE H H 16 7.658 7.658 8.092 -0.434 18734 3624 1 9 . 1 1 17 17 ALA N N 17 120.694 120.694 120.582 0.112 18734 3625 1 9 . 1 1 17 17 ALA HA H 17 3.964 3.964 4.360 -0.396 18734 3626 1 9 . 1 1 17 17 ALA CA C 17 51.840 51.840 52.311 -0.471 18734 3627 1 9 . 1 1 17 17 ALA CB C 17 15.004 15.004 16.583 -1.579 18734 3628 1 9 . 1 1 17 17 ALA H H 17 7.514 7.514 8.044 -0.530 18734 3629 1 9 . 1 1 18 18 GLY N N 18 110.007 110.007 106.936 3.071 18734 3630 1 9 . 1 1 18 18 GLY CA C 18 43.150 43.150 45.230 -2.080 18734 3631 1 9 . 1 1 18 18 GLY H H 18 8.204 8.204 8.076 0.128 18734 3632 1 9 . 1 1 19 19 ASN N N 19 119.323 119.323 121.066 -1.743 18734 3633 1 9 . 1 1 19 19 ASN HA H 19 4.733 4.733 4.991 -0.258 18734 3634 1 9 . 1 1 19 19 ASN CB C 19 36.020 36.020 38.961 -2.941 18734 3635 1 9 . 1 1 19 19 ASN H H 19 8.124 8.124 7.751 0.373 18734 3636 1 9 . 1 1 20 20 THR N N 20 116.844 116.844 117.136 -0.292 18734 3637 1 9 . 1 1 20 20 THR HA H 20 4.243 4.243 4.165 0.078 18734 3638 1 9 . 1 1 20 20 THR CA C 20 60.224 60.224 63.084 -2.860 18734 3639 1 9 . 1 1 20 20 THR CB C 20 66.167 66.167 68.097 -1.930 18734 3640 1 9 . 1 1 20 20 THR H H 20 8.400 8.400 8.684 -0.284 18734 3641 1 9 . 1 1 21 21 VAL N N 21 117.661 117.661 117.703 -0.042 18734 3642 1 9 . 1 1 21 21 VAL HA H 21 4.161 4.161 4.280 -0.119 18734 3643 1 9 . 1 1 21 21 VAL CA C 21 59.739 59.739 61.057 -1.318 18734 3644 1 9 . 1 1 21 21 VAL CB C 21 31.224 31.224 33.067 -1.843 18734 3645 1 9 . 1 1 21 21 VAL H H 21 8.412 8.412 7.770 0.642 18734 3646 1 9 . 1 1 22 22 ILE N N 22 120.465 120.465 123.731 -3.266 18734 3647 1 9 . 1 1 22 22 ILE HA H 22 3.873 3.873 4.137 -0.264 18734 3648 1 9 . 1 1 22 22 ILE CA C 22 59.860 59.860 60.824 -0.964 18734 3649 1 9 . 1 1 22 22 ILE CB C 22 37.052 37.052 37.743 -0.691 18734 3650 1 9 . 1 1 22 22 ILE H H 22 7.300 7.300 7.515 -0.215 18734 3651 1 9 . 1 1 23 23 ARG N N 23 122.168 122.168 126.702 -4.534 18734 3652 1 9 . 1 1 23 23 ARG HA H 23 4.940 4.940 4.358 0.582 18734 3653 1 9 . 1 1 23 23 ARG CA C 23 54.175 54.175 58.429 -4.254 18734 3654 1 9 . 1 1 23 23 ARG CB C 23 30.921 30.921 31.036 -0.115 18734 3655 1 9 . 1 1 23 23 ARG H H 23 8.328 8.328 8.231 0.097 18734 3656 1 9 . 1 1 24 24 GLU N N 24 117.968 117.968 116.765 1.203 18734 3657 1 9 . 1 1 24 24 GLU HA H 24 5.100 5.100 5.008 0.092 18734 3658 1 9 . 1 1 24 24 GLU CA C 24 51.948 51.948 55.248 -3.300 18734 3659 1 9 . 1 1 24 24 GLU CB C 24 30.737 30.737 32.468 -1.731 18734 3660 1 9 . 1 1 24 24 GLU H H 24 7.474 7.474 7.857 -0.383 18734 3661 1 9 . 1 1 25 25 ILE N N 25 121.135 121.135 127.211 -6.076 18734 3662 1 9 . 1 1 25 25 ILE HA H 25 4.205 4.205 4.418 -0.213 18734 3663 1 9 . 1 1 25 25 ILE CA C 25 57.149 57.149 59.715 -2.567 18734 3664 1 9 . 1 1 25 25 ILE CB C 25 39.882 39.882 38.628 1.254 18734 3665 1 9 . 1 1 25 25 ILE H H 25 7.591 7.591 8.960 -1.369 18734 3666 1 9 . 1 1 26 26 THR N N 26 122.935 122.935 124.355 -1.420 18734 3667 1 9 . 1 1 26 26 THR HA H 26 4.999 4.999 4.376 0.623 18734 3668 1 9 . 1 1 26 26 THR CA C 26 59.185 59.185 63.385 -4.200 18734 3669 1 9 . 1 1 26 26 THR CB C 26 67.259 67.259 68.876 -1.617 18734 3670 1 9 . 1 1 26 26 THR H H 26 8.243 8.243 8.555 -0.312 18734 3671 1 9 . 1 1 27 27 VAL N N 27 124.220 124.220 124.607 -0.387 18734 3672 1 9 . 1 1 27 27 VAL HA H 27 4.421 4.421 4.583 -0.162 18734 3673 1 9 . 1 1 27 27 VAL CA C 27 58.144 58.144 59.712 -1.569 18734 3674 1 9 . 1 1 27 27 VAL CB C 27 30.727 30.727 35.080 -4.353 18734 3675 1 9 . 1 1 27 27 VAL H H 27 9.216 9.216 8.907 0.309 18734 3676 1 9 . 1 1 28 28 GLN N N 28 129.280 129.280 121.448 7.832 18734 3677 1 9 . 1 1 28 28 GLN HA H 28 4.702 4.702 5.359 -0.657 18734 3678 1 9 . 1 1 28 28 GLN CB C 28 25.480 25.480 30.795 -5.315 18734 3679 1 9 . 1 1 28 28 GLN H H 28 8.782 8.782 8.857 -0.075 18734 3680 1 9 . 1 1 29 29 PRO HA H 29 3.457 3.457 3.357 0.100 18734 3681 1 9 . 1 1 29 29 PRO CA C 29 60.712 60.712 62.670 -1.958 18734 3682 1 9 . 1 1 29 29 PRO CB C 29 30.122 30.122 32.144 -2.022 18734 3683 1 9 . 1 1 30 30 ASN N N 30 113.396 113.396 113.739 -0.343 18734 3684 1 9 . 1 1 30 30 ASN HA H 30 4.329 4.329 4.135 0.194 18734 3685 1 9 . 1 1 30 30 ASN CA C 30 51.999 51.999 54.900 -2.901 18734 3686 1 9 . 1 1 30 30 ASN CB C 30 34.627 34.627 37.558 -2.931 18734 3687 1 9 . 1 1 30 30 ASN H H 30 8.199 8.199 8.492 -0.293 18734 3688 1 9 . 1 1 31 31 ILE N N 31 115.907 115.907 122.066 -6.159 18734 3689 1 9 . 1 1 31 31 ILE HA H 31 4.395 4.395 4.226 0.169 18734 3690 1 9 . 1 1 31 31 ILE CA C 31 57.434 57.434 59.728 -2.294 18734 3691 1 9 . 1 1 31 31 ILE CB C 31 36.859 36.859 36.458 0.401 18734 3692 1 9 . 1 1 31 31 ILE H H 31 8.201 8.201 7.347 0.854 18734 3693 1 9 . 1 1 32 32 GLY N N 32 111.217 111.217 115.878 -4.661 18734 3694 1 9 . 1 1 32 32 GLY CA C 32 41.729 41.729 44.466 -2.737 18734 3695 1 9 . 1 1 32 32 GLY H H 32 7.998 7.998 7.885 0.113 18734 3696 1 9 . 1 1 33 33 LEU N N 33 120.007 120.007 122.822 -2.815 18734 3697 1 9 . 1 1 33 33 LEU HA H 33 3.880 3.880 4.271 -0.391 18734 3698 1 9 . 1 1 33 33 LEU CA C 33 53.595 53.595 55.703 -2.108 18734 3699 1 9 . 1 1 33 33 LEU CB C 33 40.528 40.528 42.881 -2.353 18734 3700 1 9 . 1 1 33 33 LEU H H 33 7.820 7.820 8.300 -0.480 18734 3701 1 9 . 1 1 34 34 LEU N N 34 128.106 128.106 127.242 0.864 18734 3702 1 9 . 1 1 34 34 LEU HA H 34 4.485 4.485 4.281 0.204 18734 3703 1 9 . 1 1 34 34 LEU CA C 34 51.078 51.078 54.728 -3.650 18734 3704 1 9 . 1 1 34 34 LEU CB C 34 37.447 37.447 41.589 -4.141 18734 3705 1 9 . 1 1 34 34 LEU H H 34 8.551 8.551 8.242 0.309 18734 3706 1 9 . 1 1 35 35 TYR N N 35 121.473 121.473 119.923 1.550 18734 3707 1 9 . 1 1 35 35 TYR HA H 35 4.240 4.240 4.718 -0.478 18734 3708 1 9 . 1 1 35 35 TYR CA C 35 53.814 53.814 54.840 -1.026 18734 3709 1 9 . 1 1 35 35 TYR CB C 35 36.868 36.868 40.138 -3.270 18734 3710 1 9 . 1 1 35 35 TYR H H 35 6.363 6.363 7.831 -1.468 18734 3711 1 9 . 1 1 36 36 ASP N N 36 119.590 119.590 118.489 1.101 18734 3712 1 9 . 1 1 36 36 ASP HA H 36 3.980 3.980 4.722 -0.742 18734 3713 1 9 . 1 1 36 36 ASP CA C 36 52.760 52.760 54.404 -1.645 18734 3714 1 9 . 1 1 36 36 ASP CB C 36 37.119 37.119 41.820 -4.701 18734 3715 1 9 . 1 1 36 36 ASP H H 36 8.573 8.573 8.488 0.085 18734 3716 1 9 . 1 1 37 37 GLY N N 37 108.636 108.636 110.695 -2.059 18734 3717 1 9 . 1 1 37 37 GLY CA C 37 44.335 44.335 46.509 -2.174 18734 3718 1 9 . 1 1 37 37 GLY H H 37 7.903 7.903 8.872 -0.969 18734 3719 1 9 . 1 1 38 38 MET N N 38 120.339 120.339 119.762 0.577 18734 3720 1 9 . 1 1 38 38 MET HA H 38 3.631 3.631 3.757 -0.126 18734 3721 1 9 . 1 1 38 38 MET CA C 38 56.101 56.101 57.470 -1.369 18734 3722 1 9 . 1 1 38 38 MET CB C 38 29.166 29.166 31.018 -1.852 18734 3723 1 9 . 1 1 38 38 MET H H 38 7.873 7.873 7.164 0.709 18734 3724 1 9 . 1 1 39 39 PHE N N 39 115.430 115.430 113.977 1.453 18734 3725 1 9 . 1 1 39 39 PHE HA H 39 4.908 4.908 4.693 0.215 18734 3726 1 9 . 1 1 39 39 PHE CA C 39 52.898 52.898 56.558 -3.660 18734 3727 1 9 . 1 1 39 39 PHE CB C 39 36.647 36.647 38.616 -1.969 18734 3728 1 9 . 1 1 39 39 PHE H H 39 8.504 8.504 7.702 0.802 18734 3729 1 9 . 1 1 40 40 SER N N 40 113.647 113.647 115.846 -2.199 18734 3730 1 9 . 1 1 40 40 SER HA H 40 4.238 4.238 4.263 -0.025 18734 3731 1 9 . 1 1 40 40 SER CA C 40 56.954 56.954 60.483 -3.529 18734 3732 1 9 . 1 1 40 40 SER CB C 40 60.458 60.458 63.135 -2.677 18734 3733 1 9 . 1 1 40 40 SER H H 40 7.264 7.264 7.755 -0.491 18734 3734 1 9 . 1 1 41 41 GLY N N 41 115.225 115.225 115.324 -0.099 18734 3735 1 9 . 1 1 41 41 GLY CA C 41 42.941 42.941 44.980 -2.039 18734 3736 1 9 . 1 1 41 41 GLY H H 41 9.110 9.110 8.893 0.217 18734 3737 1 9 . 1 1 42 42 CYS N N 42 120.385 120.385 120.974 -0.589 18734 3738 1 9 . 1 1 42 42 CYS HA H 42 4.761 4.761 4.627 0.134 18734 3739 1 9 . 1 1 42 42 CYS CB C 42 23.867 23.867 25.461 -1.594 18734 3740 1 9 . 1 1 42 42 CYS H H 42 7.929 7.929 7.925 0.004 18734 3741 1 9 . 1 1 43 43 THR N N 43 113.920 113.920 116.737 -2.817 18734 3742 1 9 . 1 1 43 43 THR HA H 43 3.863 3.863 4.058 -0.195 18734 3743 1 9 . 1 1 43 43 THR CA C 43 61.663 61.663 64.238 -2.575 18734 3744 1 9 . 1 1 43 43 THR CB C 43 66.027 66.027 68.465 -2.438 18734 3745 1 9 . 1 1 43 43 THR H H 43 7.495 7.495 8.314 -0.819 18734 3746 1 9 . 1 1 44 44 ALA N N 44 123.479 123.479 121.804 1.675 18734 3747 1 9 . 1 1 44 44 ALA HA H 44 4.477 4.477 4.589 -0.112 18734 3748 1 9 . 1 1 44 44 ALA CA C 44 48.198 48.198 51.172 -2.974 18734 3749 1 9 . 1 1 44 44 ALA CB C 44 17.096 17.096 19.965 -2.869 18734 3750 1 9 . 1 1 44 44 ALA H H 44 8.551 8.551 7.893 0.658 18734 3751 1 9 . 1 1 45 45 LEU N N 45 121.070 121.070 122.545 -1.475 18734 3752 1 9 . 1 1 45 45 LEU HA H 45 3.981 3.981 4.403 -0.422 18734 3753 1 9 . 1 1 45 45 LEU CA C 45 53.838 53.838 55.429 -1.591 18734 3754 1 9 . 1 1 45 45 LEU CB C 45 40.243 40.243 42.227 -1.984 18734 3755 1 9 . 1 1 45 45 LEU H H 45 6.819 6.819 7.615 -0.796 18734 3756 1 9 . 1 1 46 46 GLU N N 46 128.627 128.627 122.264 6.363 18734 3757 1 9 . 1 1 46 46 GLU HA H 46 4.511 4.511 4.675 -0.164 18734 3758 1 9 . 1 1 46 46 GLU CA C 46 54.357 54.357 55.607 -1.250 18734 3759 1 9 . 1 1 46 46 GLU CB C 46 29.883 29.883 31.556 -1.673 18734 3760 1 9 . 1 1 46 46 GLU H H 46 9.401 9.401 8.364 1.037 18734 3761 1 9 . 1 1 47 47 LYS N N 47 116.297 116.297 120.275 -3.978 18734 3762 1 9 . 1 1 47 47 LYS HA H 47 5.128 5.128 4.776 0.352 18734 3763 1 9 . 1 1 47 47 LYS CA C 47 52.808 52.808 55.604 -2.796 18734 3764 1 9 . 1 1 47 47 LYS CB C 47 35.325 35.325 36.517 -1.192 18734 3765 1 9 . 1 1 47 47 LYS H H 47 7.171 7.171 7.778 -0.607 18734 3766 1 9 . 1 1 48 48 LEU N N 48 125.474 125.474 126.596 -1.122 18734 3767 1 9 . 1 1 48 48 LEU HA H 48 4.403 4.403 5.004 -0.601 18734 3768 1 9 . 1 1 48 48 LEU CA C 48 50.489 50.489 53.433 -2.944 18734 3769 1 9 . 1 1 48 48 LEU CB C 48 41.991 41.991 45.857 -3.866 18734 3770 1 9 . 1 1 48 48 LEU H H 48 8.715 8.715 8.219 0.496 18734 3771 1 9 . 1 1 49 49 ILE N N 49 127.246 127.246 123.166 4.080 18734 3772 1 9 . 1 1 49 49 ILE HA H 49 4.145 4.145 4.768 -0.623 18734 3773 1 9 . 1 1 49 49 ILE CA C 49 58.314 58.314 59.718 -1.404 18734 3774 1 9 . 1 1 49 49 ILE CB C 49 36.125 36.125 41.862 -5.737 18734 3775 1 9 . 1 1 49 49 ILE H H 49 9.131 9.131 8.492 0.639 18734 3776 1 9 . 1 1 50 50 LEU N N 50 128.685 128.685 123.863 4.822 18734 3777 1 9 . 1 1 50 50 LEU HA H 50 4.417 4.417 5.133 -0.716 18734 3778 1 9 . 1 1 50 50 LEU CA C 50 50.414 50.414 53.676 -3.262 18734 3779 1 9 . 1 1 50 50 LEU CB C 50 36.390 36.390 44.874 -8.484 18734 3780 1 9 . 1 1 50 50 LEU H H 50 8.553 8.553 8.483 0.070 18734 3781 1 9 . 1 1 51 51 THR N N 51 109.751 109.751 113.115 -3.364 18734 3782 1 9 . 1 1 51 51 THR HA H 51 3.935 3.935 4.650 -0.715 18734 3783 1 9 . 1 1 51 51 THR CA C 51 60.194 60.194 60.874 -0.680 18734 3784 1 9 . 1 1 51 51 THR CB C 51 66.107 66.107 68.619 -2.512 18734 3785 1 9 . 1 1 51 51 THR H H 51 6.964 6.964 8.765 -1.801 18734 3786 1 9 . 1 1 52 52 GLY N N 52 108.656 108.656 110.107 -1.451 18734 3787 1 9 . 1 1 52 52 GLY CA C 52 42.432 42.432 44.178 -1.746 18734 3788 1 9 . 1 1 52 52 GLY H H 52 8.409 8.409 7.885 0.524 18734 3789 1 9 . 1 1 53 53 GLU N N 53 119.733 119.733 119.460 0.273 18734 3790 1 9 . 1 1 53 53 GLU HA H 53 4.061 4.061 4.572 -0.511 18734 3791 1 9 . 1 1 53 53 GLU CA C 53 54.296 54.296 55.926 -1.630 18734 3792 1 9 . 1 1 53 53 GLU CB C 53 27.425 27.425 30.636 -3.211 18734 3793 1 9 . 1 1 53 53 GLU H H 53 8.741 8.741 8.844 -0.103 18734 3794 1 9 . 1 1 54 54 ASP N N 54 118.231 118.231 116.782 1.449 18734 3795 1 9 . 1 1 54 54 ASP HA H 54 5.035 5.035 4.552 0.483 18734 3796 1 9 . 1 1 54 54 ASP CA C 54 46.882 46.882 51.128 -4.246 18734 3797 1 9 . 1 1 54 54 ASP CB C 54 39.822 39.822 43.620 -3.799 18734 3798 1 9 . 1 1 54 54 ASP H H 54 8.309 8.309 7.643 0.666 18734 3799 1 9 . 1 1 55 55 PRO HA H 55 3.920 3.920 3.902 0.018 18734 3800 1 9 . 1 1 55 55 PRO CA C 55 61.140 61.140 64.428 -3.288 18734 3801 1 9 . 1 1 55 55 PRO CB C 55 30.606 30.606 31.989 -1.383 18734 3802 1 9 . 1 1 56 56 SER N N 56 108.966 108.966 115.096 -6.130 18734 3803 1 9 . 1 1 56 56 SER HA H 56 4.494 4.494 4.337 0.157 18734 3804 1 9 . 1 1 56 56 SER CA C 56 57.752 57.752 60.389 -2.637 18734 3805 1 9 . 1 1 56 56 SER CB C 56 60.574 60.574 63.020 -2.446 18734 3806 1 9 . 1 1 56 56 SER H H 56 7.998 7.998 8.583 -0.585 18734 3807 1 9 . 1 1 57 57 ALA N N 57 123.346 123.346 121.721 1.625 18734 3808 1 9 . 1 1 57 57 ALA HA H 57 4.197 4.197 4.433 -0.236 18734 3809 1 9 . 1 1 57 57 ALA CA C 57 49.452 49.452 52.490 -3.038 18734 3810 1 9 . 1 1 57 57 ALA CB C 57 17.341 17.341 19.343 -2.002 18734 3811 1 9 . 1 1 57 57 ALA H H 57 7.770 7.770 7.526 0.244 18734 3812 1 9 . 1 1 58 58 TYR N N 58 118.640 118.640 116.423 2.217 18734 3813 1 9 . 1 1 58 58 TYR HA H 58 4.844 4.844 4.794 0.050 18734 3814 1 9 . 1 1 58 58 TYR CA C 58 54.841 54.841 58.005 -3.164 18734 3815 1 9 . 1 1 58 58 TYR CB C 58 39.626 39.626 42.707 -3.081 18734 3816 1 9 . 1 1 58 58 TYR H H 58 7.878 7.878 7.521 0.357 18734 3817 1 9 . 1 1 59 59 SER N N 59 118.841 118.841 114.728 4.113 18734 3818 1 9 . 1 1 59 59 SER HA H 59 4.584 4.584 4.755 -0.171 18734 3819 1 9 . 1 1 59 59 SER CA C 59 54.332 54.332 57.524 -3.192 18734 3820 1 9 . 1 1 59 59 SER CB C 59 62.866 62.866 65.789 -2.923 18734 3821 1 9 . 1 1 59 59 SER H H 59 9.289 9.289 8.584 0.705 18734 3822 1 9 . 1 1 60 60 ALA N N 60 125.034 125.034 121.058 3.976 18734 3823 1 9 . 1 1 60 60 ALA HA H 60 4.726 4.726 4.515 0.211 18734 3824 1 9 . 1 1 60 60 ALA CB C 60 20.233 20.233 19.538 0.695 18734 3825 1 9 . 1 1 60 60 ALA H H 60 7.473 7.473 8.403 -0.930 18734 3826 1 9 . 1 1 61 61 GLY N N 61 109.267 109.267 109.238 0.029 18734 3827 1 9 . 1 1 61 61 GLY CA C 61 41.504 41.504 47.014 -5.510 18734 3828 1 9 . 1 1 61 61 GLY H H 61 9.368 9.368 8.401 0.967 18734 3829 1 9 . 1 1 62 62 ASP N N 62 121.898 121.898 124.868 -2.970 18734 3830 1 9 . 1 1 62 62 ASP HA H 62 4.673 4.673 4.865 -0.192 18734 3831 1 9 . 1 1 62 62 ASP CB C 62 38.468 38.468 41.478 -3.010 18734 3832 1 9 . 1 1 62 62 ASP H H 62 9.236 9.236 8.295 0.941 18734 3833 1 9 . 1 1 63 63 GLY N N 63 111.438 111.438 107.732 3.706 18734 3834 1 9 . 1 1 63 63 GLY CA C 63 43.099 43.099 45.730 -2.631 18734 3835 1 9 . 1 1 63 63 GLY H H 63 8.774 8.774 8.555 0.219 18734 3836 1 9 . 1 1 64 64 LEU N N 64 125.900 125.900 122.068 3.832 18734 3837 1 9 . 1 1 64 64 LEU HA H 64 4.169 4.169 4.067 0.102 18734 3838 1 9 . 1 1 64 64 LEU CA C 64 56.103 56.103 57.722 -1.619 18734 3839 1 9 . 1 1 64 64 LEU CB C 64 40.431 40.431 42.263 -1.832 18734 3840 1 9 . 1 1 64 64 LEU H H 64 7.483 7.483 7.754 -0.271 18734 3841 1 9 . 1 1 65 65 ARG N N 65 111.696 111.696 114.205 -2.509 18734 3842 1 9 . 1 1 65 65 ARG HA H 65 4.057 4.057 4.625 -0.568 18734 3843 1 9 . 1 1 65 65 ARG CA C 65 51.787 51.787 54.396 -2.609 18734 3844 1 9 . 1 1 65 65 ARG CB C 65 26.474 26.474 29.341 -2.867 18734 3845 1 9 . 1 1 65 65 ARG H H 65 8.071 8.071 7.766 0.305 18734 3846 1 9 . 1 1 66 66 ASP N N 66 120.559 120.559 122.563 -2.004 18734 3847 1 9 . 1 1 66 66 ASP HA H 66 4.121 4.121 4.414 -0.293 18734 3848 1 9 . 1 1 66 66 ASP CA C 66 53.462 53.462 56.554 -3.092 18734 3849 1 9 . 1 1 66 66 ASP CB C 66 37.557 37.557 41.286 -3.729 18734 3850 1 9 . 1 1 66 66 ASP H H 66 7.293 7.293 7.874 -0.581 18734 3851 1 9 . 1 1 67 67 GLY N N 67 110.131 110.131 111.379 -1.248 18734 3852 1 9 . 1 1 67 67 GLY CA C 67 43.985 43.985 45.500 -1.515 18734 3853 1 9 . 1 1 67 67 GLY H H 67 8.695 8.695 8.577 0.118 18734 3854 1 9 . 1 1 68 68 ALA N N 68 123.462 123.462 123.996 -0.534 18734 3855 1 9 . 1 1 68 68 ALA HA H 68 4.385 4.385 4.582 -0.197 18734 3856 1 9 . 1 1 68 68 ALA CA C 68 49.065 49.065 50.954 -1.889 18734 3857 1 9 . 1 1 68 68 ALA CB C 68 19.402 19.402 21.657 -2.255 18734 3858 1 9 . 1 1 68 68 ALA H H 68 8.058 8.058 7.621 0.437 18734 3859 1 9 . 1 1 69 69 ASP N N 69 116.343 116.343 116.818 -0.475 18734 3860 1 9 . 1 1 69 69 ASP HA H 69 4.524 4.524 4.427 0.097 18734 3861 1 9 . 1 1 69 69 ASP CA C 69 51.240 51.240 53.973 -2.733 18734 3862 1 9 . 1 1 69 69 ASP CB C 69 39.076 39.076 42.982 -3.906 18734 3863 1 9 . 1 1 69 69 ASP H H 69 8.721 8.721 8.598 0.123 18734 3864 1 9 . 1 1 70 70 PHE N N 70 113.658 113.658 119.664 -6.006 18734 3865 1 9 . 1 1 70 70 PHE HA H 70 4.648 4.648 4.907 -0.259 18734 3866 1 9 . 1 1 70 70 PHE CA C 70 52.114 52.114 55.763 -3.649 18734 3867 1 9 . 1 1 70 70 PHE CB C 70 38.375 38.375 40.721 -2.346 18734 3868 1 9 . 1 1 70 70 PHE H H 70 5.865 5.865 7.169 -1.304 18734 3869 1 9 . 1 1 71 71 LEU N N 71 119.766 119.766 121.637 -1.871 18734 3870 1 9 . 1 1 71 71 LEU HA H 71 4.915 4.915 4.819 0.096 18734 3871 1 9 . 1 1 71 71 LEU CA C 71 50.797 50.797 54.251 -3.454 18734 3872 1 9 . 1 1 71 71 LEU CB C 71 41.482 41.482 43.431 -1.949 18734 3873 1 9 . 1 1 71 71 LEU H H 71 7.964 7.964 8.600 -0.636 18734 3874 1 9 . 1 1 72 72 ILE N N 72 123.675 123.675 122.394 1.281 18734 3875 1 9 . 1 1 72 72 ILE HA H 72 4.728 4.728 4.215 0.513 18734 3876 1 9 . 1 1 72 72 ILE CB C 72 36.921 36.921 39.104 -2.183 18734 3877 1 9 . 1 1 72 72 ILE H H 72 9.073 9.073 8.914 0.159 18734 3878 1 9 . 1 1 73 73 CYS N N 73 125.409 125.409 125.834 -0.425 18734 3879 1 9 . 1 1 73 73 CYS HA H 73 5.534 5.534 5.410 0.124 18734 3880 1 9 . 1 1 73 73 CYS CA C 73 54.056 54.056 57.415 -3.359 18734 3881 1 9 . 1 1 73 73 CYS CB C 73 27.753 27.753 30.416 -2.663 18734 3882 1 9 . 1 1 73 73 CYS H H 73 9.060 9.060 8.201 0.859 18734 3883 1 9 . 1 1 74 74 VAL N N 74 114.408 114.408 117.582 -3.174 18734 3884 1 9 . 1 1 74 74 VAL HA H 74 4.951 4.951 4.758 0.193 18734 3885 1 9 . 1 1 74 74 VAL CA C 74 54.229 54.229 57.462 -3.233 18734 3886 1 9 . 1 1 74 74 VAL CB C 74 29.675 29.675 33.900 -4.225 18734 3887 1 9 . 1 1 74 74 VAL H H 74 7.938 7.938 8.617 -0.679 18734 3888 1 9 . 1 1 75 75 PRO HA H 75 4.283 4.283 4.650 -0.367 18734 3889 1 9 . 1 1 75 75 PRO CA C 75 60.889 60.889 62.600 -1.711 18734 3890 1 9 . 1 1 75 75 PRO CB C 75 29.499 29.499 32.876 -3.377 18734 3891 1 9 . 1 1 76 76 GLU N N 76 126.159 126.159 121.761 4.398 18734 3892 1 9 . 1 1 76 76 GLU HA H 76 3.664 3.664 3.852 -0.188 18734 3893 1 9 . 1 1 76 76 GLU CA C 76 58.112 58.112 59.751 -1.639 18734 3894 1 9 . 1 1 76 76 GLU CB C 76 26.894 26.894 28.825 -1.931 18734 3895 1 9 . 1 1 76 76 GLU H H 76 9.130 9.130 8.736 0.394 18734 3896 1 9 . 1 1 77 77 GLU N N 77 117.145 117.145 118.399 -1.254 18734 3897 1 9 . 1 1 77 77 GLU HA H 77 4.100 4.100 4.213 -0.113 18734 3898 1 9 . 1 1 77 77 GLU CA C 77 55.734 55.734 58.130 -2.396 18734 3899 1 9 . 1 1 77 77 GLU CB C 77 26.315 26.315 29.574 -3.259 18734 3900 1 9 . 1 1 77 77 GLU H H 77 9.350 9.350 8.512 0.838 18734 3901 1 9 . 1 1 78 78 ALA N N 78 120.398 120.398 121.274 -0.876 18734 3902 1 9 . 1 1 78 78 ALA HA H 78 4.699 4.699 4.362 0.337 18734 3903 1 9 . 1 1 78 78 ALA CB C 78 18.962 18.962 18.939 0.023 18734 3904 1 9 . 1 1 78 78 ALA H H 78 8.044 8.044 7.653 0.391 18734 3905 1 9 . 1 1 79 79 LEU N N 79 122.497 122.497 120.213 2.284 18734 3906 1 9 . 1 1 79 79 LEU HA H 79 3.710 3.710 3.993 -0.283 18734 3907 1 9 . 1 1 79 79 LEU CA C 79 56.837 56.837 57.988 -1.151 18734 3908 1 9 . 1 1 79 79 LEU CB C 79 40.952 40.952 41.849 -0.897 18734 3909 1 9 . 1 1 79 79 LEU H H 79 7.331 7.331 7.371 -0.040 18734 3910 1 9 . 1 1 80 80 ASP N N 80 116.432 116.432 117.688 -1.256 18734 3911 1 9 . 1 1 80 80 ASP HA H 80 4.357 4.357 4.376 -0.019 18734 3912 1 9 . 1 1 80 80 ASP CA C 80 54.751 54.751 57.179 -2.428 18734 3913 1 9 . 1 1 80 80 ASP CB C 80 38.534 38.534 40.547 -2.013 18734 3914 1 9 . 1 1 80 80 ASP H H 80 8.305 8.305 8.400 -0.095 18734 3915 1 9 . 1 1 81 81 ARG N N 81 119.433 119.433 119.735 -0.302 18734 3916 1 9 . 1 1 81 81 ARG HA H 81 3.894 3.894 3.922 -0.028 18734 3917 1 9 . 1 1 81 81 ARG CA C 81 56.473 56.473 59.484 -3.011 18734 3918 1 9 . 1 1 81 81 ARG CB C 81 27.481 27.481 30.087 -2.606 18734 3919 1 9 . 1 1 81 81 ARG H H 81 7.638 7.638 8.361 -0.723 18734 3920 1 9 . 1 1 82 82 TYR N N 82 116.397 116.397 115.492 0.905 18734 3921 1 9 . 1 1 82 82 TYR HA H 82 3.830 3.830 4.128 -0.298 18734 3922 1 9 . 1 1 82 82 TYR CA C 82 61.170 61.170 60.987 0.183 18734 3923 1 9 . 1 1 82 82 TYR CB C 82 37.031 37.031 37.998 -0.967 18734 3924 1 9 . 1 1 82 82 TYR H H 82 8.198 8.198 7.915 0.283 18734 3925 1 9 . 1 1 83 83 ARG N N 83 113.114 113.114 119.419 -6.305 18734 3926 1 9 . 1 1 83 83 ARG HA H 83 3.728 3.728 3.983 -0.255 18734 3927 1 9 . 1 1 83 83 ARG CA C 83 58.115 58.115 59.631 -1.516 18734 3928 1 9 . 1 1 83 83 ARG CB C 83 28.107 28.107 30.367 -2.260 18734 3929 1 9 . 1 1 83 83 ARG H H 83 8.151 8.151 7.560 0.591 18734 3930 1 9 . 1 1 84 84 ARG N N 84 111.791 111.791 115.920 -4.129 18734 3931 1 9 . 1 1 84 84 ARG HA H 84 4.386 4.386 4.199 0.187 18734 3932 1 9 . 1 1 84 84 ARG CA C 84 52.335 52.335 56.886 -4.551 18734 3933 1 9 . 1 1 84 84 ARG CB C 84 27.987 27.987 29.860 -1.873 18734 3934 1 9 . 1 1 84 84 ARG H H 84 7.571 7.571 7.868 -0.297 18734 3935 1 9 . 1 1 85 85 ASP N N 85 123.157 123.157 120.991 2.166 18734 3936 1 9 . 1 1 85 85 ASP HA H 85 4.373 4.373 4.732 -0.359 18734 3937 1 9 . 1 1 85 85 ASP CA C 85 52.852 52.852 54.549 -1.697 18734 3938 1 9 . 1 1 85 85 ASP CB C 85 42.482 42.482 42.638 -0.156 18734 3939 1 9 . 1 1 85 85 ASP H H 85 7.200 7.200 7.602 -0.402 18734 3940 1 9 . 1 1 86 86 TYR N N 86 123.389 123.389 127.202 -3.813 18734 3941 1 9 . 1 1 86 86 TYR HA H 86 4.092 4.092 4.327 -0.235 18734 3942 1 9 . 1 1 86 86 TYR CA C 86 58.674 58.674 61.154 -2.480 18734 3943 1 9 . 1 1 86 86 TYR CB C 86 35.801 35.801 38.866 -3.065 18734 3944 1 9 . 1 1 86 86 TYR H H 86 8.440 8.440 8.864 -0.424 18734 3945 1 9 . 1 1 87 87 PHE N N 87 117.092 117.092 118.098 -1.006 18734 3946 1 9 . 1 1 87 87 PHE HA H 87 4.378 4.378 4.423 -0.045 18734 3947 1 9 . 1 1 87 87 PHE CA C 87 57.433 57.433 60.688 -3.255 18734 3948 1 9 . 1 1 87 87 PHE CB C 87 37.442 37.442 39.397 -1.955 18734 3949 1 9 . 1 1 87 87 PHE H H 87 7.931 7.931 8.691 -0.760 18734 3950 1 9 . 1 1 88 88 TRP N N 88 121.396 121.396 120.104 1.292 18734 3951 1 9 . 1 1 88 88 TRP HA H 88 3.798 3.798 4.697 -0.899 18734 3952 1 9 . 1 1 88 88 TRP CA C 88 59.544 59.544 61.533 -1.990 18734 3953 1 9 . 1 1 88 88 TRP CB C 88 26.293 26.293 29.564 -3.271 18734 3954 1 9 . 1 1 88 88 TRP H H 88 9.757 9.757 8.323 1.434 18734 3955 1 9 . 1 1 89 89 GLN N N 89 117.760 117.760 120.175 -2.415 18734 3956 1 9 . 1 1 89 89 GLN HA H 89 4.393 4.393 3.995 0.398 18734 3957 1 9 . 1 1 89 89 GLN CA C 89 55.882 55.882 59.365 -3.483 18734 3958 1 9 . 1 1 89 89 GLN CB C 89 30.198 30.198 28.172 2.026 18734 3959 1 9 . 1 1 89 89 GLN H H 89 8.490 8.490 8.557 -0.067 18734 3960 1 9 . 1 1 90 90 THR N N 90 118.285 118.285 115.912 2.373 18734 3961 1 9 . 1 1 90 90 THR HA H 90 3.686 3.686 3.988 -0.302 18734 3962 1 9 . 1 1 90 90 THR CA C 90 62.770 62.770 65.848 -3.078 18734 3963 1 9 . 1 1 90 90 THR CB C 90 66.664 66.664 68.753 -2.089 18734 3964 1 9 . 1 1 90 90 THR H H 90 7.932 7.932 7.841 0.091 18734 3965 1 9 . 1 1 91 91 TYR N N 91 118.448 118.448 118.824 -0.376 18734 3966 1 9 . 1 1 91 91 TYR HA H 91 4.975 4.975 5.057 -0.082 18734 3967 1 9 . 1 1 91 91 TYR CA C 91 55.511 55.511 58.079 -2.568 18734 3968 1 9 . 1 1 91 91 TYR CB C 91 37.126 37.126 37.996 -0.870 18734 3969 1 9 . 1 1 91 91 TYR H H 91 8.009 8.009 8.193 -0.184 18734 3970 1 9 . 1 1 92 92 ALA N N 92 122.351 122.351 122.914 -0.563 18734 3971 1 9 . 1 1 92 92 ALA HA H 92 3.843 3.843 4.185 -0.342 18734 3972 1 9 . 1 1 92 92 ALA CA C 92 54.108 54.108 54.710 -0.602 18734 3973 1 9 . 1 1 92 92 ALA CB C 92 16.505 16.505 17.817 -1.312 18734 3974 1 9 . 1 1 92 92 ALA H H 92 7.665 7.665 7.877 -0.212 18734 3975 1 9 . 1 1 93 93 ALA N N 93 117.548 117.548 120.302 -2.754 18734 3976 1 9 . 1 1 93 93 ALA HA H 93 3.702 3.702 3.807 -0.105 18734 3977 1 9 . 1 1 93 93 ALA CA C 93 51.371 51.371 53.409 -2.038 18734 3978 1 9 . 1 1 93 93 ALA CB C 93 14.292 14.292 17.706 -3.414 18734 3979 1 9 . 1 1 93 93 ALA H H 93 8.275 8.275 8.060 0.215 18734 3980 1 9 . 1 1 94 94 TRP N N 94 115.303 115.303 114.720 0.583 18734 3981 1 9 . 1 1 94 94 TRP HA H 94 4.669 4.669 4.956 -0.287 18734 3982 1 9 . 1 1 94 94 TRP CB C 94 26.912 26.912 30.081 -3.168 18734 3983 1 9 . 1 1 94 94 TRP H H 94 8.203 8.203 7.764 0.439 18734 3984 1 9 . 1 1 95 95 ILE N N 95 120.680 120.680 121.007 -0.327 18734 3985 1 9 . 1 1 95 95 ILE HA H 95 5.325 5.325 4.206 1.119 18734 3986 1 9 . 1 1 95 95 ILE CA C 95 57.930 57.930 61.867 -3.937 18734 3987 1 9 . 1 1 95 95 ILE CB C 95 36.508 36.508 38.369 -1.861 18734 3988 1 9 . 1 1 95 95 ILE H H 95 7.153 7.153 7.317 -0.164 18734 3989 1 9 . 1 1 96 96 GLN N N 96 128.223 128.223 125.529 2.694 18734 3990 1 9 . 1 1 96 96 GLN HA H 96 4.691 4.691 4.933 -0.242 18734 3991 1 9 . 1 1 96 96 GLN CB C 96 28.885 28.885 29.523 -0.638 18734 3992 1 9 . 1 1 96 96 GLN H H 96 9.189 9.189 8.677 0.512 18734 3993 1 9 . 1 1 97 97 PRO HA H 97 4.833 4.833 4.848 -0.015 18734 3994 1 9 . 1 1 97 97 PRO CA C 97 59.122 59.122 62.760 -3.638 18734 3995 1 9 . 1 1 97 97 PRO CB C 97 29.515 29.515 32.674 -3.159 18734 3996 1 9 . 1 1 98 98 MET N N 98 120.815 120.815 117.127 3.688 18734 3997 1 9 . 1 1 98 98 MET HA H 98 4.116 4.116 4.728 -0.612 18734 3998 1 9 . 1 1 98 98 MET CA C 98 52.944 52.944 55.122 -2.178 18734 3999 1 9 . 1 1 98 98 MET CB C 98 30.981 30.981 34.174 -3.193 18734 4000 1 9 . 1 1 98 98 MET H H 98 8.551 8.551 7.947 0.604 18734 4001 1 9 . 1 1 99 99 GLU N N 99 124.677 124.677 120.219 4.458 18734 4002 1 9 . 1 1 99 99 GLU HA H 99 4.220 4.220 4.582 -0.362 18734 4003 1 9 . 1 1 99 99 GLU CA C 99 53.952 53.952 55.542 -1.590 18734 4004 1 9 . 1 1 99 99 GLU CB C 99 27.803 27.803 30.132 -2.329 18734 4005 1 9 . 1 1 99 99 GLU H H 99 8.532 8.532 8.355 0.177 18734 4006 1 10 . 1 1 2 2 SER HA H 2 4.373 4.373 4.544 -0.171 18734 4007 1 10 . 1 1 2 2 SER CA C 2 55.756 55.756 58.230 -2.474 18734 4008 1 10 . 1 1 2 2 SER CB C 2 61.143 61.143 63.899 -2.756 18734 4009 1 10 . 1 1 3 3 HIS HA H 3 4.613 4.613 4.894 -0.281 18734 4010 1 10 . 1 1 3 3 HIS CA C 3 52.991 52.991 56.284 -3.293 18734 4011 1 10 . 1 1 3 3 HIS CB C 3 26.607 26.607 29.977 -3.370 18734 4012 1 10 . 1 1 4 4 GLU N N 4 122.124 122.124 120.727 1.397 18734 4013 1 10 . 1 1 4 4 GLU HA H 4 4.171 4.171 4.370 -0.199 18734 4014 1 10 . 1 1 4 4 GLU CA C 4 54.441 54.441 56.716 -2.275 18734 4015 1 10 . 1 1 4 4 GLU CB C 4 27.585 27.585 30.559 -2.974 18734 4016 1 10 . 1 1 4 4 GLU H H 4 8.415 8.415 8.508 -0.093 18734 4017 1 10 . 1 1 5 5 GLY N N 5 110.434 110.434 113.632 -3.198 18734 4018 1 10 . 1 1 5 5 GLY CA C 5 42.610 42.610 45.709 -3.099 18734 4019 1 10 . 1 1 5 5 GLY H H 5 8.488 8.488 8.279 0.209 18734 4020 1 10 . 1 1 6 6 GLU N N 6 121.376 121.376 122.321 -0.945 18734 4021 1 10 . 1 1 6 6 GLU HA H 6 4.560 4.560 4.641 -0.081 18734 4022 1 10 . 1 1 6 6 GLU CA C 6 51.629 51.629 53.302 -1.673 18734 4023 1 10 . 1 1 6 6 GLU CB C 6 26.998 26.998 30.343 -3.345 18734 4024 1 10 . 1 1 6 6 GLU H H 6 7.954 7.954 7.881 0.073 18734 4025 1 10 . 1 1 7 7 PRO HA H 7 4.464 4.464 4.408 0.056 18734 4026 1 10 . 1 1 7 7 PRO CA C 7 60.517 60.517 62.703 -2.186 18734 4027 1 10 . 1 1 7 7 PRO CB C 7 29.486 29.486 29.862 -0.376 18734 4028 1 10 . 1 1 8 8 VAL N N 8 120.493 120.493 118.803 1.690 18734 4029 1 10 . 1 1 8 8 VAL HA H 8 4.387 4.387 4.314 0.073 18734 4030 1 10 . 1 1 8 8 VAL CA C 8 58.483 58.483 59.148 -0.664 18734 4031 1 10 . 1 1 8 8 VAL CB C 8 31.177 31.177 35.297 -4.120 18734 4032 1 10 . 1 1 8 8 VAL H H 8 8.177 8.177 7.628 0.549 18734 4033 1 10 . 1 1 9 9 VAL N N 9 124.516 124.516 123.248 1.268 18734 4034 1 10 . 1 1 9 9 VAL HA H 9 4.024 4.024 4.473 -0.449 18734 4035 1 10 . 1 1 9 9 VAL CA C 9 60.336 60.336 61.845 -1.509 18734 4036 1 10 . 1 1 9 9 VAL CB C 9 29.995 29.995 31.760 -1.765 18734 4037 1 10 . 1 1 9 9 VAL H H 9 8.246 8.246 8.707 -0.461 18734 4038 1 10 . 1 1 10 10 GLY N N 10 114.968 114.968 116.155 -1.187 18734 4039 1 10 . 1 1 10 10 GLY CA C 10 42.318 42.318 46.223 -3.905 18734 4040 1 10 . 1 1 10 10 GLY H H 10 8.595 8.595 8.405 0.190 18734 4041 1 10 . 1 1 11 11 MET N N 11 120.532 120.532 117.678 2.854 18734 4042 1 10 . 1 1 11 11 MET CA C 11 53.802 53.802 55.803 -2.001 18734 4043 1 10 . 1 1 11 11 MET CB C 11 30.698 30.698 34.175 -3.477 18734 4044 1 10 . 1 1 11 11 MET H H 11 8.320 8.320 7.911 0.409 18734 4045 1 10 . 1 1 12 12 ASP N N 12 120.515 120.515 122.870 -2.355 18734 4046 1 10 . 1 1 12 12 ASP HA H 12 4.637 4.637 4.768 -0.131 18734 4047 1 10 . 1 1 12 12 ASP CB C 12 38.090 38.090 41.441 -3.351 18734 4048 1 10 . 1 1 12 12 ASP H H 12 8.261 8.261 8.214 0.047 18734 4049 1 10 . 1 1 13 13 LYS N N 13 123.685 123.685 123.273 0.412 18734 4050 1 10 . 1 1 13 13 LYS HA H 13 4.623 4.623 4.519 0.104 18734 4051 1 10 . 1 1 13 13 LYS CA C 13 50.898 50.898 56.294 -5.396 18734 4052 1 10 . 1 1 13 13 LYS CB C 13 30.003 30.003 32.356 -2.353 18734 4053 1 10 . 1 1 13 13 LYS H H 13 8.579 8.579 8.696 -0.117 18734 4054 1 10 . 1 1 14 14 SER N N 14 115.048 115.048 115.005 0.043 18734 4055 1 10 . 1 1 14 14 SER HA H 14 4.447 4.447 4.826 -0.379 18734 4056 1 10 . 1 1 14 14 SER CA C 14 56.917 56.917 57.850 -0.933 18734 4057 1 10 . 1 1 14 14 SER CB C 14 61.536 61.536 62.933 -1.397 18734 4058 1 10 . 1 1 14 14 SER H H 14 8.507 8.507 8.222 0.285 18734 4059 1 10 . 1 1 15 15 LEU N N 15 119.294 119.294 120.814 -1.520 18734 4060 1 10 . 1 1 15 15 LEU HA H 15 3.989 3.989 4.551 -0.562 18734 4061 1 10 . 1 1 15 15 LEU CA C 15 53.219 53.219 54.436 -1.217 18734 4062 1 10 . 1 1 15 15 LEU CB C 15 39.813 39.813 43.103 -3.290 18734 4063 1 10 . 1 1 15 15 LEU H H 15 6.908 6.908 8.002 -1.094 18734 4064 1 10 . 1 1 16 16 PHE N N 16 117.103 117.103 120.781 -3.678 18734 4065 1 10 . 1 1 16 16 PHE HA H 16 4.397 4.397 4.507 -0.110 18734 4066 1 10 . 1 1 16 16 PHE CA C 16 56.719 56.719 59.892 -3.174 18734 4067 1 10 . 1 1 16 16 PHE CB C 16 37.917 37.917 38.710 -0.793 18734 4068 1 10 . 1 1 16 16 PHE H H 16 7.658 7.658 8.016 -0.358 18734 4069 1 10 . 1 1 17 17 ALA N N 17 120.694 120.694 121.566 -0.872 18734 4070 1 10 . 1 1 17 17 ALA HA H 17 3.964 3.964 4.269 -0.305 18734 4071 1 10 . 1 1 17 17 ALA CA C 17 51.840 51.840 53.304 -1.464 18734 4072 1 10 . 1 1 17 17 ALA CB C 17 15.004 15.004 17.214 -2.210 18734 4073 1 10 . 1 1 17 17 ALA H H 17 7.514 7.514 8.030 -0.516 18734 4074 1 10 . 1 1 18 18 GLY N N 18 110.007 110.007 110.753 -0.746 18734 4075 1 10 . 1 1 18 18 GLY CA C 18 43.150 43.150 45.171 -2.021 18734 4076 1 10 . 1 1 18 18 GLY H H 18 8.204 8.204 8.145 0.059 18734 4077 1 10 . 1 1 19 19 ASN N N 19 119.323 119.323 119.232 0.091 18734 4078 1 10 . 1 1 19 19 ASN HA H 19 4.733 4.733 5.166 -0.433 18734 4079 1 10 . 1 1 19 19 ASN CB C 19 36.020 36.020 40.831 -4.811 18734 4080 1 10 . 1 1 19 19 ASN H H 19 8.124 8.124 7.890 0.234 18734 4081 1 10 . 1 1 20 20 THR N N 20 116.844 116.844 114.146 2.698 18734 4082 1 10 . 1 1 20 20 THR HA H 20 4.243 4.243 4.573 -0.330 18734 4083 1 10 . 1 1 20 20 THR CA C 20 60.224 60.224 62.554 -2.330 18734 4084 1 10 . 1 1 20 20 THR CB C 20 66.167 66.167 69.422 -3.256 18734 4085 1 10 . 1 1 20 20 THR H H 20 8.400 8.400 8.561 -0.161 18734 4086 1 10 . 1 1 21 21 VAL N N 21 117.661 117.661 120.550 -2.889 18734 4087 1 10 . 1 1 21 21 VAL HA H 21 4.161 4.161 4.305 -0.144 18734 4088 1 10 . 1 1 21 21 VAL CA C 21 59.739 59.739 61.555 -1.816 18734 4089 1 10 . 1 1 21 21 VAL CB C 21 31.224 31.224 32.603 -1.379 18734 4090 1 10 . 1 1 21 21 VAL H H 21 8.412 8.412 7.521 0.891 18734 4091 1 10 . 1 1 22 22 ILE N N 22 120.465 120.465 122.658 -2.193 18734 4092 1 10 . 1 1 22 22 ILE HA H 22 3.873 3.873 4.261 -0.388 18734 4093 1 10 . 1 1 22 22 ILE CA C 22 59.860 59.860 60.115 -0.255 18734 4094 1 10 . 1 1 22 22 ILE CB C 22 37.052 37.052 37.140 -0.088 18734 4095 1 10 . 1 1 22 22 ILE H H 22 7.300 7.300 7.927 -0.627 18734 4096 1 10 . 1 1 23 23 ARG N N 23 122.168 122.168 126.338 -4.170 18734 4097 1 10 . 1 1 23 23 ARG HA H 23 4.940 4.940 4.449 0.491 18734 4098 1 10 . 1 1 23 23 ARG CA C 23 54.175 54.175 56.529 -2.354 18734 4099 1 10 . 1 1 23 23 ARG CB C 23 30.921 30.921 30.169 0.752 18734 4100 1 10 . 1 1 23 23 ARG H H 23 8.328 8.328 7.695 0.633 18734 4101 1 10 . 1 1 24 24 GLU N N 24 117.968 117.968 115.830 2.138 18734 4102 1 10 . 1 1 24 24 GLU HA H 24 5.100 5.100 4.965 0.135 18734 4103 1 10 . 1 1 24 24 GLU CA C 24 51.948 51.948 54.656 -2.708 18734 4104 1 10 . 1 1 24 24 GLU CB C 24 30.737 30.737 33.815 -3.078 18734 4105 1 10 . 1 1 24 24 GLU H H 24 7.474 7.474 7.622 -0.148 18734 4106 1 10 . 1 1 25 25 ILE N N 25 121.135 121.135 123.518 -2.383 18734 4107 1 10 . 1 1 25 25 ILE HA H 25 4.205 4.205 4.470 -0.265 18734 4108 1 10 . 1 1 25 25 ILE CA C 25 57.149 57.149 60.139 -2.990 18734 4109 1 10 . 1 1 25 25 ILE CB C 25 39.882 39.882 40.992 -1.110 18734 4110 1 10 . 1 1 25 25 ILE H H 25 7.591 7.591 8.789 -1.198 18734 4111 1 10 . 1 1 26 26 THR N N 26 122.935 122.935 123.037 -0.102 18734 4112 1 10 . 1 1 26 26 THR HA H 26 4.999 4.999 4.526 0.473 18734 4113 1 10 . 1 1 26 26 THR CA C 26 59.185 59.185 63.303 -4.118 18734 4114 1 10 . 1 1 26 26 THR CB C 26 67.259 67.259 69.449 -2.190 18734 4115 1 10 . 1 1 26 26 THR H H 26 8.243 8.243 8.458 -0.215 18734 4116 1 10 . 1 1 27 27 VAL N N 27 124.220 124.220 126.632 -2.412 18734 4117 1 10 . 1 1 27 27 VAL HA H 27 4.421 4.421 4.453 -0.032 18734 4118 1 10 . 1 1 27 27 VAL CA C 27 58.144 58.144 61.267 -3.123 18734 4119 1 10 . 1 1 27 27 VAL CB C 27 30.727 30.727 34.446 -3.719 18734 4120 1 10 . 1 1 27 27 VAL H H 27 9.216 9.216 9.218 -0.002 18734 4121 1 10 . 1 1 28 28 GLN N N 28 129.280 129.280 127.347 1.933 18734 4122 1 10 . 1 1 28 28 GLN HA H 28 4.702 4.702 4.832 -0.130 18734 4123 1 10 . 1 1 28 28 GLN CB C 28 25.480 25.480 28.373 -2.893 18734 4124 1 10 . 1 1 28 28 GLN H H 28 8.782 8.782 8.785 -0.003 18734 4125 1 10 . 1 1 29 29 PRO HA H 29 3.457 3.457 3.286 0.171 18734 4126 1 10 . 1 1 29 29 PRO CA C 29 60.712 60.712 62.254 -1.542 18734 4127 1 10 . 1 1 29 29 PRO CB C 29 30.122 30.122 32.029 -1.907 18734 4128 1 10 . 1 1 30 30 ASN N N 30 113.396 113.396 116.109 -2.713 18734 4129 1 10 . 1 1 30 30 ASN HA H 30 4.329 4.329 4.227 0.102 18734 4130 1 10 . 1 1 30 30 ASN CA C 30 51.999 51.999 54.779 -2.780 18734 4131 1 10 . 1 1 30 30 ASN CB C 30 34.627 34.627 37.333 -2.706 18734 4132 1 10 . 1 1 30 30 ASN H H 30 8.199 8.199 8.526 -0.327 18734 4133 1 10 . 1 1 31 31 ILE N N 31 115.907 115.907 115.737 0.170 18734 4134 1 10 . 1 1 31 31 ILE HA H 31 4.395 4.395 4.299 0.096 18734 4135 1 10 . 1 1 31 31 ILE CA C 31 57.434 57.434 60.617 -3.183 18734 4136 1 10 . 1 1 31 31 ILE CB C 31 36.859 36.859 39.331 -2.472 18734 4137 1 10 . 1 1 31 31 ILE H H 31 8.201 8.201 8.072 0.129 18734 4138 1 10 . 1 1 32 32 GLY N N 32 111.217 111.217 106.660 4.557 18734 4139 1 10 . 1 1 32 32 GLY CA C 32 41.729 41.729 44.676 -2.947 18734 4140 1 10 . 1 1 32 32 GLY H H 32 7.998 7.998 7.475 0.523 18734 4141 1 10 . 1 1 33 33 LEU N N 33 120.007 120.007 122.444 -2.437 18734 4142 1 10 . 1 1 33 33 LEU HA H 33 3.880 3.880 4.344 -0.464 18734 4143 1 10 . 1 1 33 33 LEU CA C 33 53.595 53.595 55.473 -1.878 18734 4144 1 10 . 1 1 33 33 LEU CB C 33 40.528 40.528 43.135 -2.607 18734 4145 1 10 . 1 1 33 33 LEU H H 33 7.820 7.820 8.359 -0.539 18734 4146 1 10 . 1 1 34 34 LEU N N 34 128.106 128.106 128.037 0.069 18734 4147 1 10 . 1 1 34 34 LEU HA H 34 4.485 4.485 4.326 0.159 18734 4148 1 10 . 1 1 34 34 LEU CA C 34 51.078 51.078 53.138 -2.060 18734 4149 1 10 . 1 1 34 34 LEU CB C 34 37.447 37.447 40.739 -3.292 18734 4150 1 10 . 1 1 34 34 LEU H H 34 8.551 8.551 8.341 0.210 18734 4151 1 10 . 1 1 35 35 TYR N N 35 121.473 121.473 120.390 1.083 18734 4152 1 10 . 1 1 35 35 TYR HA H 35 4.240 4.240 4.485 -0.245 18734 4153 1 10 . 1 1 35 35 TYR CA C 35 53.814 53.814 55.392 -1.578 18734 4154 1 10 . 1 1 35 35 TYR CB C 35 36.868 36.868 38.715 -1.847 18734 4155 1 10 . 1 1 35 35 TYR H H 35 6.363 6.363 7.579 -1.216 18734 4156 1 10 . 1 1 36 36 ASP N N 36 119.590 119.590 120.219 -0.629 18734 4157 1 10 . 1 1 36 36 ASP HA H 36 3.980 3.980 4.599 -0.619 18734 4158 1 10 . 1 1 36 36 ASP CA C 36 52.760 52.760 54.540 -1.780 18734 4159 1 10 . 1 1 36 36 ASP CB C 36 37.119 37.119 39.897 -2.778 18734 4160 1 10 . 1 1 36 36 ASP H H 36 8.573 8.573 8.540 0.033 18734 4161 1 10 . 1 1 37 37 GLY N N 37 108.636 108.636 113.171 -4.535 18734 4162 1 10 . 1 1 37 37 GLY CA C 37 44.335 44.335 44.951 -0.616 18734 4163 1 10 . 1 1 37 37 GLY H H 37 7.903 7.903 8.720 -0.817 18734 4164 1 10 . 1 1 38 38 MET N N 38 120.339 120.339 121.288 -0.949 18734 4165 1 10 . 1 1 38 38 MET HA H 38 3.631 3.631 3.483 0.148 18734 4166 1 10 . 1 1 38 38 MET CA C 38 56.101 56.101 59.254 -3.153 18734 4167 1 10 . 1 1 38 38 MET CB C 38 29.166 29.166 31.754 -2.588 18734 4168 1 10 . 1 1 38 38 MET H H 38 7.873 7.873 7.199 0.674 18734 4169 1 10 . 1 1 39 39 PHE N N 39 115.430 115.430 111.211 4.219 18734 4170 1 10 . 1 1 39 39 PHE HA H 39 4.908 4.908 4.733 0.175 18734 4171 1 10 . 1 1 39 39 PHE CA C 39 52.898 52.898 55.692 -2.794 18734 4172 1 10 . 1 1 39 39 PHE CB C 39 36.647 36.647 37.902 -1.255 18734 4173 1 10 . 1 1 39 39 PHE H H 39 8.504 8.504 7.752 0.752 18734 4174 1 10 . 1 1 40 40 SER N N 40 113.647 113.647 116.441 -2.794 18734 4175 1 10 . 1 1 40 40 SER HA H 40 4.238 4.238 4.248 -0.010 18734 4176 1 10 . 1 1 40 40 SER CA C 40 56.954 56.954 60.070 -3.116 18734 4177 1 10 . 1 1 40 40 SER CB C 40 60.458 60.458 62.708 -2.249 18734 4178 1 10 . 1 1 40 40 SER H H 40 7.264 7.264 7.440 -0.176 18734 4179 1 10 . 1 1 41 41 GLY N N 41 115.225 115.225 115.311 -0.086 18734 4180 1 10 . 1 1 41 41 GLY CA C 41 42.941 42.941 44.970 -2.029 18734 4181 1 10 . 1 1 41 41 GLY H H 41 9.110 9.110 8.311 0.799 18734 4182 1 10 . 1 1 42 42 CYS N N 42 120.385 120.385 123.626 -3.241 18734 4183 1 10 . 1 1 42 42 CYS HA H 42 4.761 4.761 4.776 -0.015 18734 4184 1 10 . 1 1 42 42 CYS CB C 42 23.867 23.867 25.274 -1.407 18734 4185 1 10 . 1 1 42 42 CYS H H 42 7.929 7.929 8.329 -0.400 18734 4186 1 10 . 1 1 43 43 THR N N 43 113.920 113.920 113.144 0.776 18734 4187 1 10 . 1 1 43 43 THR HA H 43 3.863 3.863 4.244 -0.381 18734 4188 1 10 . 1 1 43 43 THR CA C 43 61.663 61.663 63.649 -1.986 18734 4189 1 10 . 1 1 43 43 THR CB C 43 66.027 66.027 68.940 -2.913 18734 4190 1 10 . 1 1 43 43 THR H H 43 7.495 7.495 8.130 -0.635 18734 4191 1 10 . 1 1 44 44 ALA N N 44 123.479 123.479 123.942 -0.463 18734 4192 1 10 . 1 1 44 44 ALA HA H 44 4.477 4.477 4.587 -0.110 18734 4193 1 10 . 1 1 44 44 ALA CA C 44 48.198 48.198 51.333 -3.135 18734 4194 1 10 . 1 1 44 44 ALA CB C 44 17.096 17.096 20.040 -2.944 18734 4195 1 10 . 1 1 44 44 ALA H H 44 8.551 8.551 7.775 0.776 18734 4196 1 10 . 1 1 45 45 LEU N N 45 121.070 121.070 121.204 -0.134 18734 4197 1 10 . 1 1 45 45 LEU HA H 45 3.981 3.981 5.066 -1.085 18734 4198 1 10 . 1 1 45 45 LEU CA C 45 53.838 53.838 54.078 -0.240 18734 4199 1 10 . 1 1 45 45 LEU CB C 45 40.243 40.243 44.019 -3.776 18734 4200 1 10 . 1 1 45 45 LEU H H 45 6.819 6.819 7.483 -0.664 18734 4201 1 10 . 1 1 46 46 GLU N N 46 128.627 128.627 123.819 4.808 18734 4202 1 10 . 1 1 46 46 GLU HA H 46 4.511 4.511 4.882 -0.371 18734 4203 1 10 . 1 1 46 46 GLU CA C 46 54.357 54.357 55.769 -1.412 18734 4204 1 10 . 1 1 46 46 GLU CB C 46 29.883 29.883 31.591 -1.708 18734 4205 1 10 . 1 1 46 46 GLU H H 46 9.401 9.401 8.606 0.795 18734 4206 1 10 . 1 1 47 47 LYS N N 47 116.297 116.297 120.144 -3.847 18734 4207 1 10 . 1 1 47 47 LYS HA H 47 5.128 5.128 4.732 0.396 18734 4208 1 10 . 1 1 47 47 LYS CA C 47 52.808 52.808 55.493 -2.685 18734 4209 1 10 . 1 1 47 47 LYS CB C 47 35.325 35.325 35.168 0.157 18734 4210 1 10 . 1 1 47 47 LYS H H 47 7.171 7.171 7.725 -0.554 18734 4211 1 10 . 1 1 48 48 LEU N N 48 125.474 125.474 126.427 -0.953 18734 4212 1 10 . 1 1 48 48 LEU HA H 48 4.403 4.403 5.120 -0.717 18734 4213 1 10 . 1 1 48 48 LEU CA C 48 50.489 50.489 53.272 -2.783 18734 4214 1 10 . 1 1 48 48 LEU CB C 48 41.991 41.991 46.008 -4.017 18734 4215 1 10 . 1 1 48 48 LEU H H 48 8.715 8.715 8.870 -0.155 18734 4216 1 10 . 1 1 49 49 ILE N N 49 127.246 127.246 124.586 2.660 18734 4217 1 10 . 1 1 49 49 ILE HA H 49 4.145 4.145 4.588 -0.443 18734 4218 1 10 . 1 1 49 49 ILE CA C 49 58.314 58.314 60.256 -1.942 18734 4219 1 10 . 1 1 49 49 ILE CB C 49 36.125 36.125 41.584 -5.458 18734 4220 1 10 . 1 1 49 49 ILE H H 49 9.131 9.131 8.598 0.533 18734 4221 1 10 . 1 1 50 50 LEU N N 50 128.685 128.685 126.769 1.916 18734 4222 1 10 . 1 1 50 50 LEU HA H 50 4.417 4.417 5.266 -0.849 18734 4223 1 10 . 1 1 50 50 LEU CA C 50 50.414 50.414 53.546 -3.132 18734 4224 1 10 . 1 1 50 50 LEU CB C 50 36.390 36.390 42.849 -6.459 18734 4225 1 10 . 1 1 50 50 LEU H H 50 8.553 8.553 8.359 0.194 18734 4226 1 10 . 1 1 51 51 THR N N 51 109.751 109.751 114.780 -5.029 18734 4227 1 10 . 1 1 51 51 THR HA H 51 3.935 3.935 4.454 -0.519 18734 4228 1 10 . 1 1 51 51 THR CA C 51 60.194 60.194 62.052 -1.858 18734 4229 1 10 . 1 1 51 51 THR CB C 51 66.107 66.107 68.735 -2.628 18734 4230 1 10 . 1 1 51 51 THR H H 51 6.964 6.964 8.525 -1.561 18734 4231 1 10 . 1 1 52 52 GLY N N 52 108.656 108.656 109.901 -1.245 18734 4232 1 10 . 1 1 52 52 GLY CA C 52 42.432 42.432 44.339 -1.907 18734 4233 1 10 . 1 1 52 52 GLY H H 52 8.409 8.409 7.604 0.805 18734 4234 1 10 . 1 1 53 53 GLU N N 53 119.733 119.733 118.149 1.584 18734 4235 1 10 . 1 1 53 53 GLU HA H 53 4.061 4.061 4.597 -0.536 18734 4236 1 10 . 1 1 53 53 GLU CA C 53 54.296 54.296 55.905 -1.609 18734 4237 1 10 . 1 1 53 53 GLU CB C 53 27.425 27.425 30.720 -3.295 18734 4238 1 10 . 1 1 53 53 GLU H H 53 8.741 8.741 8.667 0.074 18734 4239 1 10 . 1 1 54 54 ASP N N 54 118.231 118.231 117.046 1.185 18734 4240 1 10 . 1 1 54 54 ASP HA H 54 5.035 5.035 4.508 0.527 18734 4241 1 10 . 1 1 54 54 ASP CA C 54 46.882 46.882 51.714 -4.832 18734 4242 1 10 . 1 1 54 54 ASP CB C 54 39.822 39.822 43.848 -4.026 18734 4243 1 10 . 1 1 54 54 ASP H H 54 8.309 8.309 7.466 0.843 18734 4244 1 10 . 1 1 55 55 PRO HA H 55 3.920 3.920 3.983 -0.063 18734 4245 1 10 . 1 1 55 55 PRO CA C 55 61.140 61.140 64.799 -3.659 18734 4246 1 10 . 1 1 55 55 PRO CB C 55 30.606 30.606 32.027 -1.421 18734 4247 1 10 . 1 1 56 56 SER N N 56 108.966 108.966 115.185 -6.219 18734 4248 1 10 . 1 1 56 56 SER HA H 56 4.494 4.494 4.403 0.091 18734 4249 1 10 . 1 1 56 56 SER CA C 56 57.752 57.752 60.353 -2.601 18734 4250 1 10 . 1 1 56 56 SER CB C 56 60.574 60.574 62.863 -2.289 18734 4251 1 10 . 1 1 56 56 SER H H 56 7.998 7.998 8.629 -0.631 18734 4252 1 10 . 1 1 57 57 ALA N N 57 123.346 123.346 122.319 1.027 18734 4253 1 10 . 1 1 57 57 ALA HA H 57 4.197 4.197 4.207 -0.010 18734 4254 1 10 . 1 1 57 57 ALA CA C 57 49.452 49.452 53.370 -3.918 18734 4255 1 10 . 1 1 57 57 ALA CB C 57 17.341 17.341 19.218 -1.877 18734 4256 1 10 . 1 1 57 57 ALA H H 57 7.770 7.770 7.954 -0.184 18734 4257 1 10 . 1 1 58 58 TYR N N 58 118.640 118.640 117.570 1.070 18734 4258 1 10 . 1 1 58 58 TYR HA H 58 4.844 4.844 4.728 0.116 18734 4259 1 10 . 1 1 58 58 TYR CA C 58 54.841 54.841 58.730 -3.889 18734 4260 1 10 . 1 1 58 58 TYR CB C 58 39.626 39.626 41.324 -1.698 18734 4261 1 10 . 1 1 58 58 TYR H H 58 7.878 7.878 7.749 0.129 18734 4262 1 10 . 1 1 59 59 SER N N 59 118.841 118.841 114.537 4.304 18734 4263 1 10 . 1 1 59 59 SER HA H 59 4.584 4.584 4.729 -0.145 18734 4264 1 10 . 1 1 59 59 SER CA C 59 54.332 54.332 57.435 -3.103 18734 4265 1 10 . 1 1 59 59 SER CB C 59 62.866 62.866 66.025 -3.159 18734 4266 1 10 . 1 1 59 59 SER H H 59 9.289 9.289 8.400 0.889 18734 4267 1 10 . 1 1 60 60 ALA N N 60 125.034 125.034 121.888 3.146 18734 4268 1 10 . 1 1 60 60 ALA HA H 60 4.726 4.726 4.602 0.124 18734 4269 1 10 . 1 1 60 60 ALA CB C 60 20.233 20.233 20.674 -0.441 18734 4270 1 10 . 1 1 60 60 ALA H H 60 7.473 7.473 8.058 -0.585 18734 4271 1 10 . 1 1 61 61 GLY N N 61 109.267 109.267 110.073 -0.806 18734 4272 1 10 . 1 1 61 61 GLY CA C 61 41.504 41.504 44.601 -3.097 18734 4273 1 10 . 1 1 61 61 GLY H H 61 9.368 9.368 8.609 0.759 18734 4274 1 10 . 1 1 62 62 ASP N N 62 121.898 121.898 119.212 2.686 18734 4275 1 10 . 1 1 62 62 ASP HA H 62 4.673 4.673 4.673 -0.000 18734 4276 1 10 . 1 1 62 62 ASP CB C 62 38.468 38.468 40.984 -2.516 18734 4277 1 10 . 1 1 62 62 ASP H H 62 9.236 9.236 8.742 0.494 18734 4278 1 10 . 1 1 63 63 GLY N N 63 111.438 111.438 107.143 4.295 18734 4279 1 10 . 1 1 63 63 GLY CA C 63 43.099 43.099 44.256 -1.157 18734 4280 1 10 . 1 1 63 63 GLY H H 63 8.774 8.774 8.600 0.174 18734 4281 1 10 . 1 1 64 64 LEU N N 64 125.900 125.900 123.419 2.481 18734 4282 1 10 . 1 1 64 64 LEU HA H 64 4.169 4.169 4.029 0.140 18734 4283 1 10 . 1 1 64 64 LEU CA C 64 56.103 56.103 57.098 -0.995 18734 4284 1 10 . 1 1 64 64 LEU CB C 64 40.431 40.431 42.080 -1.649 18734 4285 1 10 . 1 1 64 64 LEU H H 64 7.483 7.483 7.687 -0.204 18734 4286 1 10 . 1 1 65 65 ARG N N 65 111.696 111.696 113.929 -2.233 18734 4287 1 10 . 1 1 65 65 ARG HA H 65 4.057 4.057 4.569 -0.512 18734 4288 1 10 . 1 1 65 65 ARG CA C 65 51.787 51.787 54.252 -2.465 18734 4289 1 10 . 1 1 65 65 ARG CB C 65 26.474 26.474 28.659 -2.185 18734 4290 1 10 . 1 1 65 65 ARG H H 65 8.071 8.071 7.620 0.451 18734 4291 1 10 . 1 1 66 66 ASP N N 66 120.559 120.559 122.553 -1.994 18734 4292 1 10 . 1 1 66 66 ASP HA H 66 4.121 4.121 4.463 -0.342 18734 4293 1 10 . 1 1 66 66 ASP CA C 66 53.462 53.462 56.260 -2.798 18734 4294 1 10 . 1 1 66 66 ASP CB C 66 37.557 37.557 41.298 -3.741 18734 4295 1 10 . 1 1 66 66 ASP H H 66 7.293 7.293 7.860 -0.567 18734 4296 1 10 . 1 1 67 67 GLY N N 67 110.131 110.131 111.516 -1.385 18734 4297 1 10 . 1 1 67 67 GLY CA C 67 43.985 43.985 45.401 -1.416 18734 4298 1 10 . 1 1 67 67 GLY H H 67 8.695 8.695 8.528 0.167 18734 4299 1 10 . 1 1 68 68 ALA N N 68 123.462 123.462 122.158 1.304 18734 4300 1 10 . 1 1 68 68 ALA HA H 68 4.385 4.385 4.653 -0.268 18734 4301 1 10 . 1 1 68 68 ALA CA C 68 49.065 49.065 51.560 -2.495 18734 4302 1 10 . 1 1 68 68 ALA CB C 68 19.402 19.402 22.099 -2.697 18734 4303 1 10 . 1 1 68 68 ALA H H 68 8.058 8.058 7.468 0.590 18734 4304 1 10 . 1 1 69 69 ASP N N 69 116.343 116.343 120.101 -3.758 18734 4305 1 10 . 1 1 69 69 ASP HA H 69 4.524 4.524 4.802 -0.278 18734 4306 1 10 . 1 1 69 69 ASP CA C 69 51.240 51.240 53.843 -2.603 18734 4307 1 10 . 1 1 69 69 ASP CB C 69 39.076 39.076 42.273 -3.197 18734 4308 1 10 . 1 1 69 69 ASP H H 69 8.721 8.721 8.551 0.170 18734 4309 1 10 . 1 1 70 70 PHE N N 70 113.658 113.658 118.853 -5.195 18734 4310 1 10 . 1 1 70 70 PHE HA H 70 4.648 4.648 5.226 -0.578 18734 4311 1 10 . 1 1 70 70 PHE CA C 70 52.114 52.114 55.013 -2.899 18734 4312 1 10 . 1 1 70 70 PHE CB C 70 38.375 38.375 41.241 -2.866 18734 4313 1 10 . 1 1 70 70 PHE H H 70 5.865 5.865 7.375 -1.510 18734 4314 1 10 . 1 1 71 71 LEU N N 71 119.766 119.766 119.468 0.298 18734 4315 1 10 . 1 1 71 71 LEU HA H 71 4.915 4.915 5.030 -0.115 18734 4316 1 10 . 1 1 71 71 LEU CA C 71 50.797 50.797 54.002 -3.205 18734 4317 1 10 . 1 1 71 71 LEU CB C 71 41.482 41.482 44.936 -3.454 18734 4318 1 10 . 1 1 71 71 LEU H H 71 7.964 7.964 8.652 -0.688 18734 4319 1 10 . 1 1 72 72 ILE N N 72 123.675 123.675 120.307 3.368 18734 4320 1 10 . 1 1 72 72 ILE HA H 72 4.728 4.728 4.601 0.127 18734 4321 1 10 . 1 1 72 72 ILE CB C 72 36.921 36.921 38.794 -1.873 18734 4322 1 10 . 1 1 72 72 ILE H H 72 9.073 9.073 9.103 -0.030 18734 4323 1 10 . 1 1 73 73 CYS N N 73 125.409 125.409 128.472 -3.063 18734 4324 1 10 . 1 1 73 73 CYS HA H 73 5.534 5.534 4.944 0.590 18734 4325 1 10 . 1 1 73 73 CYS CA C 73 54.056 54.056 59.566 -5.511 18734 4326 1 10 . 1 1 73 73 CYS CB C 73 27.753 27.753 27.205 0.548 18734 4327 1 10 . 1 1 73 73 CYS H H 73 9.060 9.060 9.006 0.054 18734 4328 1 10 . 1 1 74 74 VAL N N 74 114.408 114.408 118.916 -4.508 18734 4329 1 10 . 1 1 74 74 VAL HA H 74 4.951 4.951 4.790 0.161 18734 4330 1 10 . 1 1 74 74 VAL CA C 74 54.229 54.229 57.723 -3.494 18734 4331 1 10 . 1 1 74 74 VAL CB C 74 29.675 29.675 34.375 -4.700 18734 4332 1 10 . 1 1 74 74 VAL H H 74 7.938 7.938 8.868 -0.930 18734 4333 1 10 . 1 1 75 75 PRO HA H 75 4.283 4.283 4.522 -0.239 18734 4334 1 10 . 1 1 75 75 PRO CA C 75 60.889 60.889 62.845 -1.956 18734 4335 1 10 . 1 1 75 75 PRO CB C 75 29.499 29.499 32.380 -2.881 18734 4336 1 10 . 1 1 76 76 GLU N N 76 126.159 126.159 124.981 1.178 18734 4337 1 10 . 1 1 76 76 GLU HA H 76 3.664 3.664 3.902 -0.238 18734 4338 1 10 . 1 1 76 76 GLU CA C 76 58.112 58.112 60.041 -1.929 18734 4339 1 10 . 1 1 76 76 GLU CB C 76 26.894 26.894 29.347 -2.453 18734 4340 1 10 . 1 1 76 76 GLU H H 76 9.130 9.130 8.964 0.166 18734 4341 1 10 . 1 1 77 77 GLU N N 77 117.145 117.145 118.223 -1.078 18734 4342 1 10 . 1 1 77 77 GLU HA H 77 4.100 4.100 4.137 -0.037 18734 4343 1 10 . 1 1 77 77 GLU CA C 77 55.734 55.734 57.776 -2.042 18734 4344 1 10 . 1 1 77 77 GLU CB C 77 26.315 26.315 29.393 -3.078 18734 4345 1 10 . 1 1 77 77 GLU H H 77 9.350 9.350 8.755 0.595 18734 4346 1 10 . 1 1 78 78 ALA N N 78 120.398 120.398 118.182 2.216 18734 4347 1 10 . 1 1 78 78 ALA HA H 78 4.699 4.699 4.506 0.193 18734 4348 1 10 . 1 1 78 78 ALA CB C 78 18.962 18.962 19.843 -0.881 18734 4349 1 10 . 1 1 78 78 ALA H H 78 8.044 8.044 7.947 0.097 18734 4350 1 10 . 1 1 79 79 LEU N N 79 122.497 122.497 122.516 -0.019 18734 4351 1 10 . 1 1 79 79 LEU HA H 79 3.710 3.710 4.082 -0.372 18734 4352 1 10 . 1 1 79 79 LEU CA C 79 56.837 56.837 58.802 -1.965 18734 4353 1 10 . 1 1 79 79 LEU CB C 79 40.952 40.952 41.979 -1.027 18734 4354 1 10 . 1 1 79 79 LEU H H 79 7.331 7.331 7.910 -0.579 18734 4355 1 10 . 1 1 80 80 ASP N N 80 116.432 116.432 117.720 -1.288 18734 4356 1 10 . 1 1 80 80 ASP HA H 80 4.357 4.357 4.478 -0.121 18734 4357 1 10 . 1 1 80 80 ASP CA C 80 54.751 54.751 56.774 -2.023 18734 4358 1 10 . 1 1 80 80 ASP CB C 80 38.534 38.534 40.448 -1.914 18734 4359 1 10 . 1 1 80 80 ASP H H 80 8.305 8.305 8.415 -0.110 18734 4360 1 10 . 1 1 81 81 ARG N N 81 119.433 119.433 120.012 -0.579 18734 4361 1 10 . 1 1 81 81 ARG HA H 81 3.894 3.894 4.062 -0.168 18734 4362 1 10 . 1 1 81 81 ARG CA C 81 56.473 56.473 59.305 -2.832 18734 4363 1 10 . 1 1 81 81 ARG CB C 81 27.481 27.481 30.150 -2.669 18734 4364 1 10 . 1 1 81 81 ARG H H 81 7.638 7.638 7.971 -0.333 18734 4365 1 10 . 1 1 82 82 TYR N N 82 116.397 116.397 117.263 -0.866 18734 4366 1 10 . 1 1 82 82 TYR HA H 82 3.830 3.830 4.152 -0.322 18734 4367 1 10 . 1 1 82 82 TYR CA C 82 61.170 61.170 61.447 -0.277 18734 4368 1 10 . 1 1 82 82 TYR CB C 82 37.031 37.031 38.241 -1.210 18734 4369 1 10 . 1 1 82 82 TYR H H 82 8.198 8.198 8.283 -0.085 18734 4370 1 10 . 1 1 83 83 ARG N N 83 113.114 113.114 118.335 -5.221 18734 4371 1 10 . 1 1 83 83 ARG HA H 83 3.728 3.728 4.123 -0.395 18734 4372 1 10 . 1 1 83 83 ARG CA C 83 58.115 58.115 59.204 -1.089 18734 4373 1 10 . 1 1 83 83 ARG CB C 83 28.107 28.107 30.157 -2.050 18734 4374 1 10 . 1 1 83 83 ARG H H 83 8.151 8.151 8.304 -0.153 18734 4375 1 10 . 1 1 84 84 ARG N N 84 111.791 111.791 116.665 -4.874 18734 4376 1 10 . 1 1 84 84 ARG HA H 84 4.386 4.386 4.329 0.057 18734 4377 1 10 . 1 1 84 84 ARG CA C 84 52.335 52.335 56.396 -4.061 18734 4378 1 10 . 1 1 84 84 ARG CB C 84 27.987 27.987 29.791 -1.804 18734 4379 1 10 . 1 1 84 84 ARG H H 84 7.571 7.571 7.641 -0.070 18734 4380 1 10 . 1 1 85 85 ASP N N 85 123.157 123.157 121.167 1.990 18734 4381 1 10 . 1 1 85 85 ASP HA H 85 4.373 4.373 4.642 -0.269 18734 4382 1 10 . 1 1 85 85 ASP CA C 85 52.852 52.852 54.651 -1.799 18734 4383 1 10 . 1 1 85 85 ASP CB C 85 42.482 42.482 42.402 0.080 18734 4384 1 10 . 1 1 85 85 ASP H H 85 7.200 7.200 7.839 -0.639 18734 4385 1 10 . 1 1 86 86 TYR N N 86 123.389 123.389 122.678 0.711 18734 4386 1 10 . 1 1 86 86 TYR HA H 86 4.092 4.092 4.479 -0.387 18734 4387 1 10 . 1 1 86 86 TYR CA C 86 58.674 58.674 61.322 -2.648 18734 4388 1 10 . 1 1 86 86 TYR CB C 86 35.801 35.801 39.356 -3.555 18734 4389 1 10 . 1 1 86 86 TYR H H 86 8.440 8.440 8.951 -0.511 18734 4390 1 10 . 1 1 87 87 PHE N N 87 117.092 117.092 117.772 -0.680 18734 4391 1 10 . 1 1 87 87 PHE HA H 87 4.378 4.378 4.774 -0.396 18734 4392 1 10 . 1 1 87 87 PHE CA C 87 57.433 57.433 59.078 -1.645 18734 4393 1 10 . 1 1 87 87 PHE CB C 87 37.442 37.442 40.859 -3.417 18734 4394 1 10 . 1 1 87 87 PHE H H 87 7.931 7.931 8.593 -0.662 18734 4395 1 10 . 1 1 88 88 TRP N N 88 121.396 121.396 120.830 0.566 18734 4396 1 10 . 1 1 88 88 TRP HA H 88 3.798 3.798 4.584 -0.786 18734 4397 1 10 . 1 1 88 88 TRP CA C 88 59.544 59.544 62.019 -2.475 18734 4398 1 10 . 1 1 88 88 TRP CB C 88 26.293 26.293 29.214 -2.921 18734 4399 1 10 . 1 1 88 88 TRP H H 88 9.757 9.757 9.070 0.687 18734 4400 1 10 . 1 1 89 89 GLN N N 89 117.760 117.760 118.803 -1.043 18734 4401 1 10 . 1 1 89 89 GLN HA H 89 4.393 4.393 3.996 0.397 18734 4402 1 10 . 1 1 89 89 GLN CA C 89 55.882 55.882 59.426 -3.545 18734 4403 1 10 . 1 1 89 89 GLN CB C 89 30.198 30.198 27.961 2.237 18734 4404 1 10 . 1 1 89 89 GLN H H 89 8.490 8.490 8.538 -0.048 18734 4405 1 10 . 1 1 90 90 THR N N 90 118.285 118.285 114.930 3.355 18734 4406 1 10 . 1 1 90 90 THR HA H 90 3.686 3.686 4.025 -0.339 18734 4407 1 10 . 1 1 90 90 THR CA C 90 62.770 62.770 65.034 -2.264 18734 4408 1 10 . 1 1 90 90 THR CB C 90 66.664 66.664 68.717 -2.053 18734 4409 1 10 . 1 1 90 90 THR H H 90 7.932 7.932 7.820 0.112 18734 4410 1 10 . 1 1 91 91 TYR N N 91 118.448 118.448 118.895 -0.447 18734 4411 1 10 . 1 1 91 91 TYR HA H 91 4.975 4.975 4.895 0.080 18734 4412 1 10 . 1 1 91 91 TYR CA C 91 55.511 55.511 57.982 -2.471 18734 4413 1 10 . 1 1 91 91 TYR CB C 91 37.126 37.126 38.041 -0.915 18734 4414 1 10 . 1 1 91 91 TYR H H 91 8.009 8.009 7.870 0.139 18734 4415 1 10 . 1 1 92 92 ALA N N 92 122.351 122.351 122.482 -0.131 18734 4416 1 10 . 1 1 92 92 ALA HA H 92 3.843 3.843 4.316 -0.473 18734 4417 1 10 . 1 1 92 92 ALA CA C 92 54.108 54.108 54.282 -0.174 18734 4418 1 10 . 1 1 92 92 ALA CB C 92 16.505 16.505 17.750 -1.244 18734 4419 1 10 . 1 1 92 92 ALA H H 92 7.665 7.665 7.725 -0.060 18734 4420 1 10 . 1 1 93 93 ALA N N 93 117.548 117.548 120.504 -2.956 18734 4421 1 10 . 1 1 93 93 ALA HA H 93 3.702 3.702 3.995 -0.293 18734 4422 1 10 . 1 1 93 93 ALA CA C 93 51.371 51.371 53.363 -1.992 18734 4423 1 10 . 1 1 93 93 ALA CB C 93 14.292 14.292 18.383 -4.091 18734 4424 1 10 . 1 1 93 93 ALA H H 93 8.275 8.275 8.260 0.015 18734 4425 1 10 . 1 1 94 94 TRP N N 94 115.303 115.303 115.723 -0.420 18734 4426 1 10 . 1 1 94 94 TRP HA H 94 4.669 4.669 4.863 -0.194 18734 4427 1 10 . 1 1 94 94 TRP CB C 94 26.912 26.912 30.721 -3.809 18734 4428 1 10 . 1 1 94 94 TRP H H 94 8.203 8.203 8.056 0.147 18734 4429 1 10 . 1 1 95 95 ILE N N 95 120.680 120.680 119.999 0.681 18734 4430 1 10 . 1 1 95 95 ILE HA H 95 5.325 5.325 4.391 0.934 18734 4431 1 10 . 1 1 95 95 ILE CA C 95 57.930 57.930 61.512 -3.582 18734 4432 1 10 . 1 1 95 95 ILE CB C 95 36.508 36.508 38.350 -1.842 18734 4433 1 10 . 1 1 95 95 ILE H H 95 7.153 7.153 7.466 -0.313 18734 4434 1 10 . 1 1 96 96 GLN N N 96 128.223 128.223 125.543 2.680 18734 4435 1 10 . 1 1 96 96 GLN HA H 96 4.691 4.691 4.871 -0.180 18734 4436 1 10 . 1 1 96 96 GLN CB C 96 28.885 28.885 29.946 -1.061 18734 4437 1 10 . 1 1 96 96 GLN H H 96 9.189 9.189 8.986 0.203 18734 4438 1 10 . 1 1 97 97 PRO HA H 97 4.833 4.833 4.877 -0.044 18734 4439 1 10 . 1 1 97 97 PRO CA C 97 59.122 59.122 62.706 -3.584 18734 4440 1 10 . 1 1 97 97 PRO CB C 97 29.515 29.515 32.588 -3.073 18734 4441 1 10 . 1 1 98 98 MET N N 98 120.815 120.815 119.205 1.610 18734 4442 1 10 . 1 1 98 98 MET HA H 98 4.116 4.116 4.485 -0.369 18734 4443 1 10 . 1 1 98 98 MET CA C 98 52.944 52.944 55.294 -2.350 18734 4444 1 10 . 1 1 98 98 MET CB C 98 30.981 30.981 33.145 -2.164 18734 4445 1 10 . 1 1 98 98 MET H H 98 8.551 8.551 8.334 0.217 18734 4446 1 10 . 1 1 99 99 GLU N N 99 124.677 124.677 119.709 4.968 18734 4447 1 10 . 1 1 99 99 GLU HA H 99 4.220 4.220 4.750 -0.530 18734 4448 1 10 . 1 1 99 99 GLU CA C 99 53.952 53.952 55.853 -1.901 18734 4449 1 10 . 1 1 99 99 GLU CB C 99 27.803 27.803 32.224 -4.421 18734 4450 1 10 . 1 1 99 99 GLU H H 99 8.532 8.532 8.728 -0.196 18734 4451 1 11 . 1 1 2 2 SER HA H 2 4.373 4.373 4.574 -0.201 18734 4452 1 11 . 1 1 2 2 SER CA C 2 55.756 55.756 57.722 -1.966 18734 4453 1 11 . 1 1 2 2 SER CB C 2 61.143 61.143 64.865 -3.721 18734 4454 1 11 . 1 1 3 3 HIS HA H 3 4.613 4.613 4.249 0.364 18734 4455 1 11 . 1 1 3 3 HIS CA C 3 52.991 52.991 57.111 -4.120 18734 4456 1 11 . 1 1 3 3 HIS CB C 3 26.607 26.607 28.736 -2.129 18734 4457 1 11 . 1 1 4 4 GLU N N 4 122.124 122.124 119.049 3.075 18734 4458 1 11 . 1 1 4 4 GLU HA H 4 4.171 4.171 4.521 -0.350 18734 4459 1 11 . 1 1 4 4 GLU CA C 4 54.441 54.441 55.858 -1.417 18734 4460 1 11 . 1 1 4 4 GLU CB C 4 27.585 27.585 32.356 -4.771 18734 4461 1 11 . 1 1 4 4 GLU H H 4 8.415 8.415 8.248 0.167 18734 4462 1 11 . 1 1 5 5 GLY N N 5 110.434 110.434 110.769 -0.335 18734 4463 1 11 . 1 1 5 5 GLY CA C 5 42.610 42.610 45.610 -3.000 18734 4464 1 11 . 1 1 5 5 GLY H H 5 8.488 8.488 8.574 -0.086 18734 4465 1 11 . 1 1 6 6 GLU N N 6 121.376 121.376 121.841 -0.465 18734 4466 1 11 . 1 1 6 6 GLU HA H 6 4.560 4.560 4.636 -0.076 18734 4467 1 11 . 1 1 6 6 GLU CA C 6 51.629 51.629 53.774 -2.145 18734 4468 1 11 . 1 1 6 6 GLU CB C 6 26.998 26.998 30.788 -3.790 18734 4469 1 11 . 1 1 6 6 GLU H H 6 7.954 7.954 8.265 -0.311 18734 4470 1 11 . 1 1 7 7 PRO HA H 7 4.464 4.464 4.125 0.339 18734 4471 1 11 . 1 1 7 7 PRO CA C 7 60.517 60.517 62.050 -1.533 18734 4472 1 11 . 1 1 7 7 PRO CB C 7 29.486 29.486 30.138 -0.652 18734 4473 1 11 . 1 1 8 8 VAL N N 8 120.493 120.493 119.565 0.928 18734 4474 1 11 . 1 1 8 8 VAL HA H 8 4.387 4.387 4.205 0.182 18734 4475 1 11 . 1 1 8 8 VAL CA C 8 58.483 58.483 60.635 -2.152 18734 4476 1 11 . 1 1 8 8 VAL CB C 8 31.177 31.177 36.170 -4.993 18734 4477 1 11 . 1 1 8 8 VAL H H 8 8.177 8.177 7.620 0.557 18734 4478 1 11 . 1 1 9 9 VAL N N 9 124.516 124.516 125.859 -1.343 18734 4479 1 11 . 1 1 9 9 VAL HA H 9 4.024 4.024 4.356 -0.332 18734 4480 1 11 . 1 1 9 9 VAL CA C 9 60.336 60.336 62.956 -2.620 18734 4481 1 11 . 1 1 9 9 VAL CB C 9 29.995 29.995 30.505 -0.510 18734 4482 1 11 . 1 1 9 9 VAL H H 9 8.246 8.246 9.053 -0.807 18734 4483 1 11 . 1 1 10 10 GLY N N 10 114.968 114.968 113.848 1.120 18734 4484 1 11 . 1 1 10 10 GLY CA C 10 42.318 42.318 44.973 -2.655 18734 4485 1 11 . 1 1 10 10 GLY H H 10 8.595 8.595 8.228 0.367 18734 4486 1 11 . 1 1 11 11 MET N N 11 120.532 120.532 118.492 2.040 18734 4487 1 11 . 1 1 11 11 MET CA C 11 53.802 53.802 56.852 -3.050 18734 4488 1 11 . 1 1 11 11 MET CB C 11 30.698 30.698 31.982 -1.284 18734 4489 1 11 . 1 1 11 11 MET H H 11 8.320 8.320 8.210 0.110 18734 4490 1 11 . 1 1 12 12 ASP N N 12 120.515 120.515 118.743 1.772 18734 4491 1 11 . 1 1 12 12 ASP HA H 12 4.637 4.637 4.944 -0.307 18734 4492 1 11 . 1 1 12 12 ASP CB C 12 38.090 38.090 43.800 -5.710 18734 4493 1 11 . 1 1 12 12 ASP H H 12 8.261 8.261 7.883 0.378 18734 4494 1 11 . 1 1 13 13 LYS N N 13 123.685 123.685 120.832 2.853 18734 4495 1 11 . 1 1 13 13 LYS HA H 13 4.623 4.623 4.750 -0.127 18734 4496 1 11 . 1 1 13 13 LYS CA C 13 50.898 50.898 56.409 -5.511 18734 4497 1 11 . 1 1 13 13 LYS CB C 13 30.003 30.003 32.986 -2.983 18734 4498 1 11 . 1 1 13 13 LYS H H 13 8.579 8.579 8.654 -0.075 18734 4499 1 11 . 1 1 14 14 SER N N 14 115.048 115.048 114.395 0.653 18734 4500 1 11 . 1 1 14 14 SER HA H 14 4.447 4.447 4.849 -0.402 18734 4501 1 11 . 1 1 14 14 SER CA C 14 56.917 56.917 58.400 -1.483 18734 4502 1 11 . 1 1 14 14 SER CB C 14 61.536 61.536 63.303 -1.767 18734 4503 1 11 . 1 1 14 14 SER H H 14 8.507 8.507 8.948 -0.441 18734 4504 1 11 . 1 1 15 15 LEU N N 15 119.294 119.294 120.952 -1.658 18734 4505 1 11 . 1 1 15 15 LEU HA H 15 3.989 3.989 4.474 -0.485 18734 4506 1 11 . 1 1 15 15 LEU CA C 15 53.219 53.219 55.290 -2.071 18734 4507 1 11 . 1 1 15 15 LEU CB C 15 39.813 39.813 42.242 -2.429 18734 4508 1 11 . 1 1 15 15 LEU H H 15 6.908 6.908 8.335 -1.427 18734 4509 1 11 . 1 1 16 16 PHE N N 16 117.103 117.103 119.826 -2.723 18734 4510 1 11 . 1 1 16 16 PHE HA H 16 4.397 4.397 4.484 -0.087 18734 4511 1 11 . 1 1 16 16 PHE CA C 16 56.719 56.719 59.763 -3.044 18734 4512 1 11 . 1 1 16 16 PHE CB C 16 37.917 37.917 38.963 -1.046 18734 4513 1 11 . 1 1 16 16 PHE H H 16 7.658 7.658 8.076 -0.418 18734 4514 1 11 . 1 1 17 17 ALA N N 17 120.694 120.694 120.974 -0.280 18734 4515 1 11 . 1 1 17 17 ALA HA H 17 3.964 3.964 4.410 -0.446 18734 4516 1 11 . 1 1 17 17 ALA CA C 17 51.840 51.840 52.656 -0.816 18734 4517 1 11 . 1 1 17 17 ALA CB C 17 15.004 15.004 17.064 -2.060 18734 4518 1 11 . 1 1 17 17 ALA H H 17 7.514 7.514 8.469 -0.955 18734 4519 1 11 . 1 1 18 18 GLY N N 18 110.007 110.007 111.652 -1.645 18734 4520 1 11 . 1 1 18 18 GLY CA C 18 43.150 43.150 45.639 -2.489 18734 4521 1 11 . 1 1 18 18 GLY H H 18 8.204 8.204 8.167 0.037 18734 4522 1 11 . 1 1 19 19 ASN N N 19 119.323 119.323 122.538 -3.215 18734 4523 1 11 . 1 1 19 19 ASN HA H 19 4.733 4.733 4.890 -0.157 18734 4524 1 11 . 1 1 19 19 ASN CB C 19 36.020 36.020 38.543 -2.523 18734 4525 1 11 . 1 1 19 19 ASN H H 19 8.124 8.124 8.079 0.045 18734 4526 1 11 . 1 1 20 20 THR N N 20 116.844 116.844 117.020 -0.176 18734 4527 1 11 . 1 1 20 20 THR HA H 20 4.243 4.243 4.307 -0.064 18734 4528 1 11 . 1 1 20 20 THR CA C 20 60.224 60.224 63.407 -3.183 18734 4529 1 11 . 1 1 20 20 THR CB C 20 66.167 66.167 67.904 -1.737 18734 4530 1 11 . 1 1 20 20 THR H H 20 8.400 8.400 8.530 -0.130 18734 4531 1 11 . 1 1 21 21 VAL N N 21 117.661 117.661 119.487 -1.826 18734 4532 1 11 . 1 1 21 21 VAL HA H 21 4.161 4.161 4.199 -0.038 18734 4533 1 11 . 1 1 21 21 VAL CA C 21 59.739 59.739 61.719 -1.980 18734 4534 1 11 . 1 1 21 21 VAL CB C 21 31.224 31.224 33.794 -2.570 18734 4535 1 11 . 1 1 21 21 VAL H H 21 8.412 8.412 7.983 0.429 18734 4536 1 11 . 1 1 22 22 ILE N N 22 120.465 120.465 123.799 -3.334 18734 4537 1 11 . 1 1 22 22 ILE HA H 22 3.873 3.873 4.060 -0.187 18734 4538 1 11 . 1 1 22 22 ILE CA C 22 59.860 59.860 61.814 -1.954 18734 4539 1 11 . 1 1 22 22 ILE CB C 22 37.052 37.052 36.841 0.211 18734 4540 1 11 . 1 1 22 22 ILE H H 22 7.300 7.300 7.583 -0.283 18734 4541 1 11 . 1 1 23 23 ARG N N 23 122.168 122.168 125.239 -3.071 18734 4542 1 11 . 1 1 23 23 ARG HA H 23 4.940 4.940 4.339 0.601 18734 4543 1 11 . 1 1 23 23 ARG CA C 23 54.175 54.175 57.380 -3.205 18734 4544 1 11 . 1 1 23 23 ARG CB C 23 30.921 30.921 30.624 0.297 18734 4545 1 11 . 1 1 23 23 ARG H H 23 8.328 8.328 7.865 0.463 18734 4546 1 11 . 1 1 24 24 GLU N N 24 117.968 117.968 116.373 1.595 18734 4547 1 11 . 1 1 24 24 GLU HA H 24 5.100 5.100 4.442 0.658 18734 4548 1 11 . 1 1 24 24 GLU CA C 24 51.948 51.948 55.564 -3.616 18734 4549 1 11 . 1 1 24 24 GLU CB C 24 30.737 30.737 34.020 -3.283 18734 4550 1 11 . 1 1 24 24 GLU H H 24 7.474 7.474 7.794 -0.320 18734 4551 1 11 . 1 1 25 25 ILE N N 25 121.135 121.135 122.547 -1.412 18734 4552 1 11 . 1 1 25 25 ILE HA H 25 4.205 4.205 4.517 -0.312 18734 4553 1 11 . 1 1 25 25 ILE CA C 25 57.149 57.149 60.016 -2.867 18734 4554 1 11 . 1 1 25 25 ILE CB C 25 39.882 39.882 42.127 -2.245 18734 4555 1 11 . 1 1 25 25 ILE H H 25 7.591 7.591 7.933 -0.342 18734 4556 1 11 . 1 1 26 26 THR N N 26 122.935 122.935 124.267 -1.332 18734 4557 1 11 . 1 1 26 26 THR HA H 26 4.999 4.999 4.844 0.155 18734 4558 1 11 . 1 1 26 26 THR CA C 26 59.185 59.185 61.646 -2.461 18734 4559 1 11 . 1 1 26 26 THR CB C 26 67.259 67.259 69.423 -2.164 18734 4560 1 11 . 1 1 26 26 THR H H 26 8.243 8.243 8.508 -0.265 18734 4561 1 11 . 1 1 27 27 VAL N N 27 124.220 124.220 129.076 -4.856 18734 4562 1 11 . 1 1 27 27 VAL HA H 27 4.421 4.421 4.447 -0.026 18734 4563 1 11 . 1 1 27 27 VAL CA C 27 58.144 58.144 60.353 -2.209 18734 4564 1 11 . 1 1 27 27 VAL CB C 27 30.727 30.727 32.258 -1.532 18734 4565 1 11 . 1 1 27 27 VAL H H 27 9.216 9.216 9.243 -0.027 18734 4566 1 11 . 1 1 28 28 GLN N N 28 129.280 129.280 127.927 1.353 18734 4567 1 11 . 1 1 28 28 GLN HA H 28 4.702 4.702 4.781 -0.079 18734 4568 1 11 . 1 1 28 28 GLN CB C 28 25.480 25.480 28.305 -2.825 18734 4569 1 11 . 1 1 28 28 GLN H H 28 8.782 8.782 8.743 0.039 18734 4570 1 11 . 1 1 29 29 PRO HA H 29 3.457 3.457 3.002 0.455 18734 4571 1 11 . 1 1 29 29 PRO CA C 29 60.712 60.712 62.566 -1.854 18734 4572 1 11 . 1 1 29 29 PRO CB C 29 30.122 30.122 32.179 -2.057 18734 4573 1 11 . 1 1 30 30 ASN N N 30 113.396 113.396 116.447 -3.051 18734 4574 1 11 . 1 1 30 30 ASN HA H 30 4.329 4.329 4.115 0.214 18734 4575 1 11 . 1 1 30 30 ASN CA C 30 51.999 51.999 54.693 -2.694 18734 4576 1 11 . 1 1 30 30 ASN CB C 30 34.627 34.627 37.214 -2.587 18734 4577 1 11 . 1 1 30 30 ASN H H 30 8.199 8.199 8.314 -0.115 18734 4578 1 11 . 1 1 31 31 ILE N N 31 115.907 115.907 119.172 -3.265 18734 4579 1 11 . 1 1 31 31 ILE HA H 31 4.395 4.395 4.281 0.114 18734 4580 1 11 . 1 1 31 31 ILE CA C 31 57.434 57.434 60.350 -2.916 18734 4581 1 11 . 1 1 31 31 ILE CB C 31 36.859 36.859 38.574 -1.715 18734 4582 1 11 . 1 1 31 31 ILE H H 31 8.201 8.201 7.889 0.312 18734 4583 1 11 . 1 1 32 32 GLY N N 32 111.217 111.217 114.506 -3.289 18734 4584 1 11 . 1 1 32 32 GLY CA C 32 41.729 41.729 44.513 -2.784 18734 4585 1 11 . 1 1 32 32 GLY H H 32 7.998 7.998 8.299 -0.301 18734 4586 1 11 . 1 1 33 33 LEU N N 33 120.007 120.007 122.190 -2.183 18734 4587 1 11 . 1 1 33 33 LEU HA H 33 3.880 3.880 4.189 -0.309 18734 4588 1 11 . 1 1 33 33 LEU CA C 33 53.595 53.595 54.985 -1.390 18734 4589 1 11 . 1 1 33 33 LEU CB C 33 40.528 40.528 43.184 -2.656 18734 4590 1 11 . 1 1 33 33 LEU H H 33 7.820 7.820 8.396 -0.576 18734 4591 1 11 . 1 1 34 34 LEU N N 34 128.106 128.106 122.705 5.401 18734 4592 1 11 . 1 1 34 34 LEU HA H 34 4.485 4.485 4.302 0.183 18734 4593 1 11 . 1 1 34 34 LEU CA C 34 51.078 51.078 53.850 -2.772 18734 4594 1 11 . 1 1 34 34 LEU CB C 34 37.447 37.447 42.342 -4.895 18734 4595 1 11 . 1 1 34 34 LEU H H 34 8.551 8.551 8.262 0.289 18734 4596 1 11 . 1 1 35 35 TYR N N 35 121.473 121.473 119.200 2.273 18734 4597 1 11 . 1 1 35 35 TYR HA H 35 4.240 4.240 4.728 -0.488 18734 4598 1 11 . 1 1 35 35 TYR CA C 35 53.814 53.814 54.179 -0.365 18734 4599 1 11 . 1 1 35 35 TYR CB C 35 36.868 36.868 40.091 -3.223 18734 4600 1 11 . 1 1 35 35 TYR H H 35 6.363 6.363 7.622 -1.259 18734 4601 1 11 . 1 1 36 36 ASP N N 36 119.590 119.590 118.497 1.093 18734 4602 1 11 . 1 1 36 36 ASP HA H 36 3.980 3.980 4.458 -0.478 18734 4603 1 11 . 1 1 36 36 ASP CA C 36 52.760 52.760 54.589 -1.829 18734 4604 1 11 . 1 1 36 36 ASP CB C 36 37.119 37.119 40.457 -3.338 18734 4605 1 11 . 1 1 36 36 ASP H H 36 8.573 8.573 8.390 0.183 18734 4606 1 11 . 1 1 37 37 GLY N N 37 108.636 108.636 113.810 -5.174 18734 4607 1 11 . 1 1 37 37 GLY CA C 37 44.335 44.335 45.684 -1.349 18734 4608 1 11 . 1 1 37 37 GLY H H 37 7.903 7.903 8.502 -0.599 18734 4609 1 11 . 1 1 38 38 MET N N 38 120.339 120.339 117.526 2.813 18734 4610 1 11 . 1 1 38 38 MET HA H 38 3.631 3.631 3.699 -0.068 18734 4611 1 11 . 1 1 38 38 MET CA C 38 56.101 56.101 57.734 -1.633 18734 4612 1 11 . 1 1 38 38 MET CB C 38 29.166 29.166 32.019 -2.853 18734 4613 1 11 . 1 1 38 38 MET H H 38 7.873 7.873 7.392 0.481 18734 4614 1 11 . 1 1 39 39 PHE N N 39 115.430 115.430 112.936 2.494 18734 4615 1 11 . 1 1 39 39 PHE HA H 39 4.908 4.908 4.855 0.053 18734 4616 1 11 . 1 1 39 39 PHE CA C 39 52.898 52.898 55.438 -2.540 18734 4617 1 11 . 1 1 39 39 PHE CB C 39 36.647 36.647 37.822 -1.175 18734 4618 1 11 . 1 1 39 39 PHE H H 39 8.504 8.504 7.687 0.817 18734 4619 1 11 . 1 1 40 40 SER N N 40 113.647 113.647 117.065 -3.418 18734 4620 1 11 . 1 1 40 40 SER HA H 40 4.238 4.238 4.289 -0.051 18734 4621 1 11 . 1 1 40 40 SER CA C 40 56.954 56.954 59.974 -3.020 18734 4622 1 11 . 1 1 40 40 SER CB C 40 60.458 60.458 62.657 -2.200 18734 4623 1 11 . 1 1 40 40 SER H H 40 7.264 7.264 8.122 -0.858 18734 4624 1 11 . 1 1 41 41 GLY N N 41 115.225 115.225 114.664 0.561 18734 4625 1 11 . 1 1 41 41 GLY CA C 41 42.941 42.941 44.983 -2.042 18734 4626 1 11 . 1 1 41 41 GLY H H 41 9.110 9.110 9.035 0.075 18734 4627 1 11 . 1 1 42 42 CYS N N 42 120.385 120.385 122.810 -2.425 18734 4628 1 11 . 1 1 42 42 CYS HA H 42 4.761 4.761 4.506 0.255 18734 4629 1 11 . 1 1 42 42 CYS CB C 42 23.867 23.867 26.233 -2.366 18734 4630 1 11 . 1 1 42 42 CYS H H 42 7.929 7.929 8.410 -0.481 18734 4631 1 11 . 1 1 43 43 THR N N 43 113.920 113.920 116.559 -2.639 18734 4632 1 11 . 1 1 43 43 THR HA H 43 3.863 3.863 4.207 -0.344 18734 4633 1 11 . 1 1 43 43 THR CA C 43 61.663 61.663 63.874 -2.211 18734 4634 1 11 . 1 1 43 43 THR CB C 43 66.027 66.027 68.611 -2.584 18734 4635 1 11 . 1 1 43 43 THR H H 43 7.495 7.495 8.259 -0.764 18734 4636 1 11 . 1 1 44 44 ALA N N 44 123.479 123.479 124.079 -0.600 18734 4637 1 11 . 1 1 44 44 ALA HA H 44 4.477 4.477 4.556 -0.079 18734 4638 1 11 . 1 1 44 44 ALA CA C 44 48.198 48.198 51.194 -2.996 18734 4639 1 11 . 1 1 44 44 ALA CB C 44 17.096 17.096 20.030 -2.934 18734 4640 1 11 . 1 1 44 44 ALA H H 44 8.551 8.551 7.709 0.842 18734 4641 1 11 . 1 1 45 45 LEU N N 45 121.070 121.070 119.256 1.814 18734 4642 1 11 . 1 1 45 45 LEU HA H 45 3.981 3.981 4.966 -0.985 18734 4643 1 11 . 1 1 45 45 LEU CA C 45 53.838 53.838 55.162 -1.324 18734 4644 1 11 . 1 1 45 45 LEU CB C 45 40.243 40.243 43.859 -3.616 18734 4645 1 11 . 1 1 45 45 LEU H H 45 6.819 6.819 7.452 -0.633 18734 4646 1 11 . 1 1 46 46 GLU N N 46 128.627 128.627 122.639 5.988 18734 4647 1 11 . 1 1 46 46 GLU HA H 46 4.511 4.511 4.608 -0.097 18734 4648 1 11 . 1 1 46 46 GLU CA C 46 54.357 54.357 55.999 -1.642 18734 4649 1 11 . 1 1 46 46 GLU CB C 46 29.883 29.883 31.236 -1.353 18734 4650 1 11 . 1 1 46 46 GLU H H 46 9.401 9.401 8.613 0.788 18734 4651 1 11 . 1 1 47 47 LYS N N 47 116.297 116.297 119.458 -3.161 18734 4652 1 11 . 1 1 47 47 LYS HA H 47 5.128 5.128 5.166 -0.038 18734 4653 1 11 . 1 1 47 47 LYS CA C 47 52.808 52.808 55.006 -2.198 18734 4654 1 11 . 1 1 47 47 LYS CB C 47 35.325 35.325 36.699 -1.374 18734 4655 1 11 . 1 1 47 47 LYS H H 47 7.171 7.171 7.780 -0.609 18734 4656 1 11 . 1 1 48 48 LEU N N 48 125.474 125.474 124.363 1.111 18734 4657 1 11 . 1 1 48 48 LEU HA H 48 4.403 4.403 4.718 -0.315 18734 4658 1 11 . 1 1 48 48 LEU CA C 48 50.489 50.489 54.537 -4.048 18734 4659 1 11 . 1 1 48 48 LEU CB C 48 41.991 41.991 44.381 -2.390 18734 4660 1 11 . 1 1 48 48 LEU H H 48 8.715 8.715 8.239 0.476 18734 4661 1 11 . 1 1 49 49 ILE N N 49 127.246 127.246 126.297 0.949 18734 4662 1 11 . 1 1 49 49 ILE HA H 49 4.145 4.145 4.608 -0.463 18734 4663 1 11 . 1 1 49 49 ILE CA C 49 58.314 58.314 61.086 -2.772 18734 4664 1 11 . 1 1 49 49 ILE CB C 49 36.125 36.125 39.118 -2.993 18734 4665 1 11 . 1 1 49 49 ILE H H 49 9.131 9.131 9.170 -0.039 18734 4666 1 11 . 1 1 50 50 LEU N N 50 128.685 128.685 125.716 2.969 18734 4667 1 11 . 1 1 50 50 LEU HA H 50 4.417 4.417 5.335 -0.918 18734 4668 1 11 . 1 1 50 50 LEU CA C 50 50.414 50.414 53.512 -3.098 18734 4669 1 11 . 1 1 50 50 LEU CB C 50 36.390 36.390 43.661 -7.271 18734 4670 1 11 . 1 1 50 50 LEU H H 50 8.553 8.553 8.585 -0.032 18734 4671 1 11 . 1 1 51 51 THR N N 51 109.751 109.751 114.681 -4.930 18734 4672 1 11 . 1 1 51 51 THR HA H 51 3.935 3.935 4.489 -0.554 18734 4673 1 11 . 1 1 51 51 THR CA C 51 60.194 60.194 62.204 -2.010 18734 4674 1 11 . 1 1 51 51 THR CB C 51 66.107 66.107 69.377 -3.270 18734 4675 1 11 . 1 1 51 51 THR H H 51 6.964 6.964 8.428 -1.464 18734 4676 1 11 . 1 1 52 52 GLY N N 52 108.656 108.656 110.297 -1.641 18734 4677 1 11 . 1 1 52 52 GLY CA C 52 42.432 42.432 43.819 -1.387 18734 4678 1 11 . 1 1 52 52 GLY H H 52 8.409 8.409 7.829 0.580 18734 4679 1 11 . 1 1 53 53 GLU N N 53 119.733 119.733 119.297 0.436 18734 4680 1 11 . 1 1 53 53 GLU HA H 53 4.061 4.061 4.303 -0.242 18734 4681 1 11 . 1 1 53 53 GLU CA C 53 54.296 54.296 57.212 -2.916 18734 4682 1 11 . 1 1 53 53 GLU CB C 53 27.425 27.425 30.018 -2.593 18734 4683 1 11 . 1 1 53 53 GLU H H 53 8.741 8.741 8.910 -0.169 18734 4684 1 11 . 1 1 54 54 ASP N N 54 118.231 118.231 114.750 3.481 18734 4685 1 11 . 1 1 54 54 ASP HA H 54 5.035 5.035 4.922 0.113 18734 4686 1 11 . 1 1 54 54 ASP CA C 54 46.882 46.882 51.182 -4.301 18734 4687 1 11 . 1 1 54 54 ASP CB C 54 39.822 39.822 42.495 -2.674 18734 4688 1 11 . 1 1 54 54 ASP H H 54 8.309 8.309 7.672 0.637 18734 4689 1 11 . 1 1 55 55 PRO HA H 55 3.920 3.920 3.458 0.462 18734 4690 1 11 . 1 1 55 55 PRO CA C 55 61.140 61.140 63.778 -2.638 18734 4691 1 11 . 1 1 55 55 PRO CB C 55 30.606 30.606 32.145 -1.539 18734 4692 1 11 . 1 1 56 56 SER N N 56 108.966 108.966 115.915 -6.949 18734 4693 1 11 . 1 1 56 56 SER HA H 56 4.494 4.494 4.332 0.162 18734 4694 1 11 . 1 1 56 56 SER CA C 56 57.752 57.752 60.458 -2.706 18734 4695 1 11 . 1 1 56 56 SER CB C 56 60.574 60.574 62.881 -2.307 18734 4696 1 11 . 1 1 56 56 SER H H 56 7.998 7.998 8.209 -0.211 18734 4697 1 11 . 1 1 57 57 ALA N N 57 123.346 123.346 122.160 1.186 18734 4698 1 11 . 1 1 57 57 ALA HA H 57 4.197 4.197 4.293 -0.096 18734 4699 1 11 . 1 1 57 57 ALA CA C 57 49.452 49.452 53.316 -3.864 18734 4700 1 11 . 1 1 57 57 ALA CB C 57 17.341 17.341 19.034 -1.693 18734 4701 1 11 . 1 1 57 57 ALA H H 57 7.770 7.770 8.057 -0.287 18734 4702 1 11 . 1 1 58 58 TYR N N 58 118.640 118.640 116.240 2.400 18734 4703 1 11 . 1 1 58 58 TYR HA H 58 4.844 4.844 4.795 0.049 18734 4704 1 11 . 1 1 58 58 TYR CA C 58 54.841 54.841 57.597 -2.756 18734 4705 1 11 . 1 1 58 58 TYR CB C 58 39.626 39.626 42.522 -2.896 18734 4706 1 11 . 1 1 58 58 TYR H H 58 7.878 7.878 7.533 0.345 18734 4707 1 11 . 1 1 59 59 SER N N 59 118.841 118.841 115.810 3.031 18734 4708 1 11 . 1 1 59 59 SER HA H 59 4.584 4.584 4.953 -0.369 18734 4709 1 11 . 1 1 59 59 SER CA C 59 54.332 54.332 57.152 -2.820 18734 4710 1 11 . 1 1 59 59 SER CB C 59 62.866 62.866 66.439 -3.574 18734 4711 1 11 . 1 1 59 59 SER H H 59 9.289 9.289 8.762 0.527 18734 4712 1 11 . 1 1 60 60 ALA N N 60 125.034 125.034 119.059 5.975 18734 4713 1 11 . 1 1 60 60 ALA HA H 60 4.726 4.726 4.275 0.451 18734 4714 1 11 . 1 1 60 60 ALA CB C 60 20.233 20.233 18.895 1.338 18734 4715 1 11 . 1 1 60 60 ALA H H 60 7.473 7.473 8.319 -0.846 18734 4716 1 11 . 1 1 61 61 GLY N N 61 109.267 109.267 108.549 0.718 18734 4717 1 11 . 1 1 61 61 GLY CA C 61 41.504 41.504 47.076 -5.572 18734 4718 1 11 . 1 1 61 61 GLY H H 61 9.368 9.368 8.189 1.179 18734 4719 1 11 . 1 1 62 62 ASP N N 62 121.898 121.898 124.888 -2.990 18734 4720 1 11 . 1 1 62 62 ASP HA H 62 4.673 4.673 4.920 -0.247 18734 4721 1 11 . 1 1 62 62 ASP CB C 62 38.468 38.468 43.126 -4.658 18734 4722 1 11 . 1 1 62 62 ASP H H 62 9.236 9.236 8.333 0.903 18734 4723 1 11 . 1 1 63 63 GLY N N 63 111.438 111.438 108.504 2.934 18734 4724 1 11 . 1 1 63 63 GLY CA C 63 43.099 43.099 45.246 -2.147 18734 4725 1 11 . 1 1 63 63 GLY H H 63 8.774 8.774 7.714 1.060 18734 4726 1 11 . 1 1 64 64 LEU N N 64 125.900 125.900 122.894 3.006 18734 4727 1 11 . 1 1 64 64 LEU HA H 64 4.169 4.169 4.061 0.108 18734 4728 1 11 . 1 1 64 64 LEU CA C 64 56.103 56.103 58.077 -1.974 18734 4729 1 11 . 1 1 64 64 LEU CB C 64 40.431 40.431 42.458 -2.027 18734 4730 1 11 . 1 1 64 64 LEU H H 64 7.483 7.483 7.498 -0.015 18734 4731 1 11 . 1 1 65 65 ARG N N 65 111.696 111.696 112.422 -0.726 18734 4732 1 11 . 1 1 65 65 ARG HA H 65 4.057 4.057 4.395 -0.338 18734 4733 1 11 . 1 1 65 65 ARG CA C 65 51.787 51.787 54.377 -2.591 18734 4734 1 11 . 1 1 65 65 ARG CB C 65 26.474 26.474 28.712 -2.237 18734 4735 1 11 . 1 1 65 65 ARG H H 65 8.071 8.071 7.865 0.206 18734 4736 1 11 . 1 1 66 66 ASP N N 66 120.559 120.559 121.341 -0.782 18734 4737 1 11 . 1 1 66 66 ASP HA H 66 4.121 4.121 4.414 -0.293 18734 4738 1 11 . 1 1 66 66 ASP CA C 66 53.462 53.462 55.584 -2.122 18734 4739 1 11 . 1 1 66 66 ASP CB C 66 37.557 37.557 41.776 -4.219 18734 4740 1 11 . 1 1 66 66 ASP H H 66 7.293 7.293 7.858 -0.565 18734 4741 1 11 . 1 1 67 67 GLY N N 67 110.131 110.131 109.240 0.891 18734 4742 1 11 . 1 1 67 67 GLY CA C 67 43.985 43.985 46.189 -2.204 18734 4743 1 11 . 1 1 67 67 GLY H H 67 8.695 8.695 8.743 -0.048 18734 4744 1 11 . 1 1 68 68 ALA N N 68 123.462 123.462 121.729 1.733 18734 4745 1 11 . 1 1 68 68 ALA HA H 68 4.385 4.385 5.071 -0.686 18734 4746 1 11 . 1 1 68 68 ALA CA C 68 49.065 49.065 52.053 -2.987 18734 4747 1 11 . 1 1 68 68 ALA CB C 68 19.402 19.402 21.781 -2.379 18734 4748 1 11 . 1 1 68 68 ALA H H 68 8.058 8.058 7.276 0.782 18734 4749 1 11 . 1 1 69 69 ASP N N 69 116.343 116.343 118.449 -2.106 18734 4750 1 11 . 1 1 69 69 ASP HA H 69 4.524 4.524 4.800 -0.276 18734 4751 1 11 . 1 1 69 69 ASP CA C 69 51.240 51.240 54.332 -3.092 18734 4752 1 11 . 1 1 69 69 ASP CB C 69 39.076 39.076 43.139 -4.063 18734 4753 1 11 . 1 1 69 69 ASP H H 69 8.721 8.721 8.744 -0.023 18734 4754 1 11 . 1 1 70 70 PHE N N 70 113.658 113.658 119.726 -6.068 18734 4755 1 11 . 1 1 70 70 PHE HA H 70 4.648 4.648 4.882 -0.234 18734 4756 1 11 . 1 1 70 70 PHE CA C 70 52.114 52.114 55.551 -3.437 18734 4757 1 11 . 1 1 70 70 PHE CB C 70 38.375 38.375 41.192 -2.817 18734 4758 1 11 . 1 1 70 70 PHE H H 70 5.865 5.865 7.467 -1.602 18734 4759 1 11 . 1 1 71 71 LEU N N 71 119.766 119.766 120.718 -0.952 18734 4760 1 11 . 1 1 71 71 LEU HA H 71 4.915 4.915 4.857 0.058 18734 4761 1 11 . 1 1 71 71 LEU CA C 71 50.797 50.797 53.574 -2.777 18734 4762 1 11 . 1 1 71 71 LEU CB C 71 41.482 41.482 45.949 -4.467 18734 4763 1 11 . 1 1 71 71 LEU H H 71 7.964 7.964 8.135 -0.171 18734 4764 1 11 . 1 1 72 72 ILE N N 72 123.675 123.675 120.798 2.877 18734 4765 1 11 . 1 1 72 72 ILE HA H 72 4.728 4.728 4.847 -0.119 18734 4766 1 11 . 1 1 72 72 ILE CB C 72 36.921 36.921 41.169 -4.248 18734 4767 1 11 . 1 1 72 72 ILE H H 72 9.073 9.073 8.870 0.203 18734 4768 1 11 . 1 1 73 73 CYS N N 73 125.409 125.409 124.907 0.502 18734 4769 1 11 . 1 1 73 73 CYS HA H 73 5.534 5.534 5.381 0.153 18734 4770 1 11 . 1 1 73 73 CYS CA C 73 54.056 54.056 57.062 -3.006 18734 4771 1 11 . 1 1 73 73 CYS CB C 73 27.753 27.753 29.903 -2.150 18734 4772 1 11 . 1 1 73 73 CYS H H 73 9.060 9.060 8.935 0.125 18734 4773 1 11 . 1 1 74 74 VAL N N 74 114.408 114.408 117.211 -2.803 18734 4774 1 11 . 1 1 74 74 VAL HA H 74 4.951 4.951 5.073 -0.122 18734 4775 1 11 . 1 1 74 74 VAL CA C 74 54.229 54.229 57.505 -3.276 18734 4776 1 11 . 1 1 74 74 VAL CB C 74 29.675 29.675 34.102 -4.427 18734 4777 1 11 . 1 1 74 74 VAL H H 74 7.938 7.938 8.711 -0.773 18734 4778 1 11 . 1 1 75 75 PRO HA H 75 4.283 4.283 4.387 -0.104 18734 4779 1 11 . 1 1 75 75 PRO CA C 75 60.889 60.889 62.645 -1.756 18734 4780 1 11 . 1 1 75 75 PRO CB C 75 29.499 29.499 32.005 -2.506 18734 4781 1 11 . 1 1 76 76 GLU N N 76 126.159 126.159 123.453 2.706 18734 4782 1 11 . 1 1 76 76 GLU HA H 76 3.664 3.664 3.732 -0.068 18734 4783 1 11 . 1 1 76 76 GLU CA C 76 58.112 58.112 59.770 -1.658 18734 4784 1 11 . 1 1 76 76 GLU CB C 76 26.894 26.894 28.834 -1.940 18734 4785 1 11 . 1 1 76 76 GLU H H 76 9.130 9.130 8.913 0.217 18734 4786 1 11 . 1 1 77 77 GLU N N 77 117.145 117.145 119.009 -1.864 18734 4787 1 11 . 1 1 77 77 GLU HA H 77 4.100 4.100 4.115 -0.015 18734 4788 1 11 . 1 1 77 77 GLU CA C 77 55.734 55.734 58.263 -2.529 18734 4789 1 11 . 1 1 77 77 GLU CB C 77 26.315 26.315 29.420 -3.105 18734 4790 1 11 . 1 1 77 77 GLU H H 77 9.350 9.350 8.435 0.915 18734 4791 1 11 . 1 1 78 78 ALA N N 78 120.398 120.398 119.023 1.375 18734 4792 1 11 . 1 1 78 78 ALA HA H 78 4.699 4.699 4.550 0.149 18734 4793 1 11 . 1 1 78 78 ALA CB C 78 18.962 18.962 19.424 -0.462 18734 4794 1 11 . 1 1 78 78 ALA H H 78 8.044 8.044 7.652 0.392 18734 4795 1 11 . 1 1 79 79 LEU N N 79 122.497 122.497 121.170 1.327 18734 4796 1 11 . 1 1 79 79 LEU HA H 79 3.710 3.710 3.744 -0.034 18734 4797 1 11 . 1 1 79 79 LEU CA C 79 56.837 56.837 58.127 -1.290 18734 4798 1 11 . 1 1 79 79 LEU CB C 79 40.952 40.952 41.799 -0.847 18734 4799 1 11 . 1 1 79 79 LEU H H 79 7.331 7.331 7.188 0.143 18734 4800 1 11 . 1 1 80 80 ASP N N 80 116.432 116.432 117.647 -1.215 18734 4801 1 11 . 1 1 80 80 ASP HA H 80 4.357 4.357 4.436 -0.079 18734 4802 1 11 . 1 1 80 80 ASP CA C 80 54.751 54.751 56.799 -2.048 18734 4803 1 11 . 1 1 80 80 ASP CB C 80 38.534 38.534 40.490 -1.956 18734 4804 1 11 . 1 1 80 80 ASP H H 80 8.305 8.305 8.552 -0.247 18734 4805 1 11 . 1 1 81 81 ARG N N 81 119.433 119.433 119.757 -0.324 18734 4806 1 11 . 1 1 81 81 ARG HA H 81 3.894 3.894 4.058 -0.164 18734 4807 1 11 . 1 1 81 81 ARG CA C 81 56.473 56.473 59.729 -3.256 18734 4808 1 11 . 1 1 81 81 ARG CB C 81 27.481 27.481 30.206 -2.725 18734 4809 1 11 . 1 1 81 81 ARG H H 81 7.638 7.638 8.261 -0.623 18734 4810 1 11 . 1 1 82 82 TYR N N 82 116.397 116.397 117.608 -1.211 18734 4811 1 11 . 1 1 82 82 TYR HA H 82 3.830 3.830 4.308 -0.478 18734 4812 1 11 . 1 1 82 82 TYR CA C 82 61.170 61.170 60.351 0.819 18734 4813 1 11 . 1 1 82 82 TYR CB C 82 37.031 37.031 37.957 -0.926 18734 4814 1 11 . 1 1 82 82 TYR H H 82 8.198 8.198 8.471 -0.273 18734 4815 1 11 . 1 1 83 83 ARG N N 83 113.114 113.114 116.955 -3.841 18734 4816 1 11 . 1 1 83 83 ARG HA H 83 3.728 3.728 4.210 -0.482 18734 4817 1 11 . 1 1 83 83 ARG CA C 83 58.115 58.115 58.684 -0.569 18734 4818 1 11 . 1 1 83 83 ARG CB C 83 28.107 28.107 30.149 -2.042 18734 4819 1 11 . 1 1 83 83 ARG H H 83 8.151 8.151 7.754 0.397 18734 4820 1 11 . 1 1 84 84 ARG N N 84 111.791 111.791 116.892 -5.101 18734 4821 1 11 . 1 1 84 84 ARG HA H 84 4.386 4.386 4.572 -0.186 18734 4822 1 11 . 1 1 84 84 ARG CA C 84 52.335 52.335 55.502 -3.167 18734 4823 1 11 . 1 1 84 84 ARG CB C 84 27.987 27.987 30.680 -2.693 18734 4824 1 11 . 1 1 84 84 ARG H H 84 7.571 7.571 7.551 0.020 18734 4825 1 11 . 1 1 85 85 ASP N N 85 123.157 123.157 120.391 2.766 18734 4826 1 11 . 1 1 85 85 ASP HA H 85 4.373 4.373 4.791 -0.418 18734 4827 1 11 . 1 1 85 85 ASP CA C 85 52.852 52.852 53.494 -0.642 18734 4828 1 11 . 1 1 85 85 ASP CB C 85 42.482 42.482 42.581 -0.100 18734 4829 1 11 . 1 1 85 85 ASP H H 85 7.200 7.200 7.770 -0.570 18734 4830 1 11 . 1 1 86 86 TYR N N 86 123.389 123.389 123.034 0.355 18734 4831 1 11 . 1 1 86 86 TYR HA H 86 4.092 4.092 4.459 -0.367 18734 4832 1 11 . 1 1 86 86 TYR CA C 86 58.674 58.674 60.283 -1.609 18734 4833 1 11 . 1 1 86 86 TYR CB C 86 35.801 35.801 39.288 -3.487 18734 4834 1 11 . 1 1 86 86 TYR H H 86 8.440 8.440 8.772 -0.332 18734 4835 1 11 . 1 1 87 87 PHE N N 87 117.092 117.092 118.851 -1.759 18734 4836 1 11 . 1 1 87 87 PHE HA H 87 4.378 4.378 4.547 -0.169 18734 4837 1 11 . 1 1 87 87 PHE CA C 87 57.433 57.433 59.977 -2.544 18734 4838 1 11 . 1 1 87 87 PHE CB C 87 37.442 37.442 40.426 -2.984 18734 4839 1 11 . 1 1 87 87 PHE H H 87 7.931 7.931 8.687 -0.756 18734 4840 1 11 . 1 1 88 88 TRP N N 88 121.396 121.396 118.899 2.497 18734 4841 1 11 . 1 1 88 88 TRP HA H 88 3.798 3.798 4.670 -0.872 18734 4842 1 11 . 1 1 88 88 TRP CA C 88 59.544 59.544 60.203 -0.659 18734 4843 1 11 . 1 1 88 88 TRP CB C 88 26.293 26.293 29.395 -3.102 18734 4844 1 11 . 1 1 88 88 TRP H H 88 9.757 9.757 9.363 0.394 18734 4845 1 11 . 1 1 89 89 GLN N N 89 117.760 117.760 119.201 -1.441 18734 4846 1 11 . 1 1 89 89 GLN HA H 89 4.393 4.393 3.980 0.413 18734 4847 1 11 . 1 1 89 89 GLN CA C 89 55.882 55.882 59.158 -3.276 18734 4848 1 11 . 1 1 89 89 GLN CB C 89 30.198 30.198 28.075 2.123 18734 4849 1 11 . 1 1 89 89 GLN H H 89 8.490 8.490 8.147 0.343 18734 4850 1 11 . 1 1 90 90 THR N N 90 118.285 118.285 115.628 2.657 18734 4851 1 11 . 1 1 90 90 THR HA H 90 3.686 3.686 3.999 -0.313 18734 4852 1 11 . 1 1 90 90 THR CA C 90 62.770 62.770 65.286 -2.516 18734 4853 1 11 . 1 1 90 90 THR CB C 90 66.664 66.664 68.560 -1.896 18734 4854 1 11 . 1 1 90 90 THR H H 90 7.932 7.932 7.621 0.311 18734 4855 1 11 . 1 1 91 91 TYR N N 91 118.448 118.448 119.899 -1.451 18734 4856 1 11 . 1 1 91 91 TYR HA H 91 4.975 4.975 4.910 0.065 18734 4857 1 11 . 1 1 91 91 TYR CA C 91 55.511 55.511 58.899 -3.388 18734 4858 1 11 . 1 1 91 91 TYR CB C 91 37.126 37.126 37.717 -0.591 18734 4859 1 11 . 1 1 91 91 TYR H H 91 8.009 8.009 7.889 0.120 18734 4860 1 11 . 1 1 92 92 ALA N N 92 122.351 122.351 122.663 -0.312 18734 4861 1 11 . 1 1 92 92 ALA HA H 92 3.843 3.843 4.128 -0.285 18734 4862 1 11 . 1 1 92 92 ALA CA C 92 54.108 54.108 54.396 -0.288 18734 4863 1 11 . 1 1 92 92 ALA CB C 92 16.505 16.505 17.626 -1.121 18734 4864 1 11 . 1 1 92 92 ALA H H 92 7.665 7.665 7.578 0.087 18734 4865 1 11 . 1 1 93 93 ALA N N 93 117.548 117.548 119.817 -2.269 18734 4866 1 11 . 1 1 93 93 ALA HA H 93 3.702 3.702 3.793 -0.091 18734 4867 1 11 . 1 1 93 93 ALA CA C 93 51.371 51.371 53.047 -1.676 18734 4868 1 11 . 1 1 93 93 ALA CB C 93 14.292 14.292 17.707 -3.415 18734 4869 1 11 . 1 1 93 93 ALA H H 93 8.275 8.275 7.541 0.734 18734 4870 1 11 . 1 1 94 94 TRP N N 94 115.303 115.303 114.417 0.886 18734 4871 1 11 . 1 1 94 94 TRP HA H 94 4.669 4.669 4.979 -0.310 18734 4872 1 11 . 1 1 94 94 TRP CB C 94 26.912 26.912 30.092 -3.180 18734 4873 1 11 . 1 1 94 94 TRP H H 94 8.203 8.203 7.802 0.401 18734 4874 1 11 . 1 1 95 95 ILE N N 95 120.680 120.680 121.582 -0.902 18734 4875 1 11 . 1 1 95 95 ILE HA H 95 5.325 5.325 4.134 1.191 18734 4876 1 11 . 1 1 95 95 ILE CA C 95 57.930 57.930 61.740 -3.811 18734 4877 1 11 . 1 1 95 95 ILE CB C 95 36.508 36.508 38.307 -1.799 18734 4878 1 11 . 1 1 95 95 ILE H H 95 7.153 7.153 7.371 -0.218 18734 4879 1 11 . 1 1 96 96 GLN N N 96 128.223 128.223 125.416 2.807 18734 4880 1 11 . 1 1 96 96 GLN HA H 96 4.691 4.691 4.961 -0.270 18734 4881 1 11 . 1 1 96 96 GLN CB C 96 28.885 28.885 29.567 -0.682 18734 4882 1 11 . 1 1 96 96 GLN H H 96 9.189 9.189 8.558 0.631 18734 4883 1 11 . 1 1 97 97 PRO HA H 97 4.833 4.833 4.797 0.036 18734 4884 1 11 . 1 1 97 97 PRO CA C 97 59.122 59.122 62.714 -3.592 18734 4885 1 11 . 1 1 97 97 PRO CB C 97 29.515 29.515 32.618 -3.103 18734 4886 1 11 . 1 1 98 98 MET N N 98 120.815 120.815 116.816 3.999 18734 4887 1 11 . 1 1 98 98 MET HA H 98 4.116 4.116 4.744 -0.628 18734 4888 1 11 . 1 1 98 98 MET CA C 98 52.944 52.944 55.562 -2.618 18734 4889 1 11 . 1 1 98 98 MET CB C 98 30.981 30.981 34.691 -3.710 18734 4890 1 11 . 1 1 98 98 MET H H 98 8.551 8.551 7.944 0.607 18734 4891 1 11 . 1 1 99 99 GLU N N 99 124.677 124.677 121.367 3.310 18734 4892 1 11 . 1 1 99 99 GLU HA H 99 4.220 4.220 4.627 -0.407 18734 4893 1 11 . 1 1 99 99 GLU CA C 99 53.952 53.952 55.536 -1.584 18734 4894 1 11 . 1 1 99 99 GLU CB C 99 27.803 27.803 31.742 -3.939 18734 4895 1 11 . 1 1 99 99 GLU H H 99 8.532 8.532 8.432 0.100 18734 4896 1 12 . 1 1 2 2 SER HA H 2 4.373 4.373 4.740 -0.367 18734 4897 1 12 . 1 1 2 2 SER CA C 2 55.756 55.756 57.548 -1.792 18734 4898 1 12 . 1 1 2 2 SER CB C 2 61.143 61.143 65.070 -3.927 18734 4899 1 12 . 1 1 3 3 HIS HA H 3 4.613 4.613 4.891 -0.278 18734 4900 1 12 . 1 1 3 3 HIS CA C 3 52.991 52.991 55.506 -2.515 18734 4901 1 12 . 1 1 3 3 HIS CB C 3 26.607 26.607 30.781 -4.174 18734 4902 1 12 . 1 1 4 4 GLU N N 4 122.124 122.124 121.927 0.197 18734 4903 1 12 . 1 1 4 4 GLU HA H 4 4.171 4.171 4.305 -0.134 18734 4904 1 12 . 1 1 4 4 GLU CA C 4 54.441 54.441 56.349 -1.908 18734 4905 1 12 . 1 1 4 4 GLU CB C 4 27.585 27.585 30.370 -2.785 18734 4906 1 12 . 1 1 4 4 GLU H H 4 8.415 8.415 8.785 -0.370 18734 4907 1 12 . 1 1 5 5 GLY N N 5 110.434 110.434 106.357 4.077 18734 4908 1 12 . 1 1 5 5 GLY CA C 5 42.610 42.610 44.861 -2.251 18734 4909 1 12 . 1 1 5 5 GLY H H 5 8.488 8.488 8.525 -0.037 18734 4910 1 12 . 1 1 6 6 GLU N N 6 121.376 121.376 119.600 1.776 18734 4911 1 12 . 1 1 6 6 GLU HA H 6 4.560 4.560 4.613 -0.053 18734 4912 1 12 . 1 1 6 6 GLU CA C 6 51.629 51.629 52.173 -0.544 18734 4913 1 12 . 1 1 6 6 GLU CB C 6 26.998 26.998 29.463 -2.465 18734 4914 1 12 . 1 1 6 6 GLU H H 6 7.954 7.954 7.966 -0.012 18734 4915 1 12 . 1 1 7 7 PRO HA H 7 4.464 4.464 4.477 -0.013 18734 4916 1 12 . 1 1 7 7 PRO CA C 7 60.517 60.517 62.447 -1.930 18734 4917 1 12 . 1 1 7 7 PRO CB C 7 29.486 29.486 30.453 -0.967 18734 4918 1 12 . 1 1 8 8 VAL N N 8 120.493 120.493 117.163 3.330 18734 4919 1 12 . 1 1 8 8 VAL HA H 8 4.387 4.387 4.322 0.065 18734 4920 1 12 . 1 1 8 8 VAL CA C 8 58.483 58.483 59.500 -1.017 18734 4921 1 12 . 1 1 8 8 VAL CB C 8 31.177 31.177 35.995 -4.819 18734 4922 1 12 . 1 1 8 8 VAL H H 8 8.177 8.177 7.620 0.557 18734 4923 1 12 . 1 1 9 9 VAL N N 9 124.516 124.516 122.865 1.651 18734 4924 1 12 . 1 1 9 9 VAL HA H 9 4.024 4.024 4.556 -0.532 18734 4925 1 12 . 1 1 9 9 VAL CA C 9 60.336 60.336 62.231 -1.895 18734 4926 1 12 . 1 1 9 9 VAL CB C 9 29.995 29.995 30.924 -0.929 18734 4927 1 12 . 1 1 9 9 VAL H H 9 8.246 8.246 8.971 -0.725 18734 4928 1 12 . 1 1 10 10 GLY N N 10 114.968 114.968 113.276 1.692 18734 4929 1 12 . 1 1 10 10 GLY CA C 10 42.318 42.318 44.460 -2.142 18734 4930 1 12 . 1 1 10 10 GLY H H 10 8.595 8.595 8.147 0.448 18734 4931 1 12 . 1 1 11 11 MET N N 11 120.532 120.532 117.398 3.134 18734 4932 1 12 . 1 1 11 11 MET CA C 11 53.802 53.802 56.887 -3.085 18734 4933 1 12 . 1 1 11 11 MET CB C 11 30.698 30.698 31.449 -0.751 18734 4934 1 12 . 1 1 11 11 MET H H 11 8.320 8.320 8.012 0.308 18734 4935 1 12 . 1 1 12 12 ASP N N 12 120.515 120.515 117.581 2.934 18734 4936 1 12 . 1 1 12 12 ASP HA H 12 4.637 4.637 4.922 -0.285 18734 4937 1 12 . 1 1 12 12 ASP CB C 12 38.090 38.090 44.158 -6.068 18734 4938 1 12 . 1 1 12 12 ASP H H 12 8.261 8.261 7.923 0.338 18734 4939 1 12 . 1 1 13 13 LYS N N 13 123.685 123.685 119.250 4.435 18734 4940 1 12 . 1 1 13 13 LYS HA H 13 4.623 4.623 4.839 -0.216 18734 4941 1 12 . 1 1 13 13 LYS CA C 13 50.898 50.898 55.741 -4.843 18734 4942 1 12 . 1 1 13 13 LYS CB C 13 30.003 30.003 33.381 -3.378 18734 4943 1 12 . 1 1 13 13 LYS H H 13 8.579 8.579 8.666 -0.087 18734 4944 1 12 . 1 1 14 14 SER N N 14 115.048 115.048 114.373 0.675 18734 4945 1 12 . 1 1 14 14 SER HA H 14 4.447 4.447 4.574 -0.127 18734 4946 1 12 . 1 1 14 14 SER CA C 14 56.917 56.917 60.290 -3.373 18734 4947 1 12 . 1 1 14 14 SER CB C 14 61.536 61.536 64.158 -2.622 18734 4948 1 12 . 1 1 14 14 SER H H 14 8.507 8.507 8.369 0.138 18734 4949 1 12 . 1 1 15 15 LEU N N 15 119.294 119.294 123.537 -4.243 18734 4950 1 12 . 1 1 15 15 LEU HA H 15 3.989 3.989 4.296 -0.307 18734 4951 1 12 . 1 1 15 15 LEU CA C 15 53.219 53.219 54.147 -0.928 18734 4952 1 12 . 1 1 15 15 LEU CB C 15 39.813 39.813 38.277 1.536 18734 4953 1 12 . 1 1 15 15 LEU H H 15 6.908 6.908 8.310 -1.402 18734 4954 1 12 . 1 1 16 16 PHE N N 16 117.103 117.103 120.843 -3.740 18734 4955 1 12 . 1 1 16 16 PHE HA H 16 4.397 4.397 4.616 -0.219 18734 4956 1 12 . 1 1 16 16 PHE CA C 16 56.719 56.719 58.982 -2.263 18734 4957 1 12 . 1 1 16 16 PHE CB C 16 37.917 37.917 40.405 -2.488 18734 4958 1 12 . 1 1 16 16 PHE H H 16 7.658 7.658 8.345 -0.687 18734 4959 1 12 . 1 1 17 17 ALA N N 17 120.694 120.694 122.562 -1.868 18734 4960 1 12 . 1 1 17 17 ALA HA H 17 3.964 3.964 4.494 -0.530 18734 4961 1 12 . 1 1 17 17 ALA CA C 17 51.840 51.840 52.256 -0.416 18734 4962 1 12 . 1 1 17 17 ALA CB C 17 15.004 15.004 17.086 -2.082 18734 4963 1 12 . 1 1 17 17 ALA H H 17 7.514 7.514 8.310 -0.796 18734 4964 1 12 . 1 1 18 18 GLY N N 18 110.007 110.007 109.382 0.625 18734 4965 1 12 . 1 1 18 18 GLY CA C 18 43.150 43.150 45.489 -2.339 18734 4966 1 12 . 1 1 18 18 GLY H H 18 8.204 8.204 8.173 0.031 18734 4967 1 12 . 1 1 19 19 ASN N N 19 119.323 119.323 122.346 -3.023 18734 4968 1 12 . 1 1 19 19 ASN HA H 19 4.733 4.733 5.090 -0.357 18734 4969 1 12 . 1 1 19 19 ASN CB C 19 36.020 36.020 38.234 -2.214 18734 4970 1 12 . 1 1 19 19 ASN H H 19 8.124 8.124 7.821 0.303 18734 4971 1 12 . 1 1 20 20 THR N N 20 116.844 116.844 116.624 0.220 18734 4972 1 12 . 1 1 20 20 THR HA H 20 4.243 4.243 4.198 0.045 18734 4973 1 12 . 1 1 20 20 THR CA C 20 60.224 60.224 63.350 -3.126 18734 4974 1 12 . 1 1 20 20 THR CB C 20 66.167 66.167 67.880 -1.713 18734 4975 1 12 . 1 1 20 20 THR H H 20 8.400 8.400 8.289 0.111 18734 4976 1 12 . 1 1 21 21 VAL N N 21 117.661 117.661 117.623 0.038 18734 4977 1 12 . 1 1 21 21 VAL HA H 21 4.161 4.161 4.284 -0.123 18734 4978 1 12 . 1 1 21 21 VAL CA C 21 59.739 59.739 61.362 -1.623 18734 4979 1 12 . 1 1 21 21 VAL CB C 21 31.224 31.224 34.085 -2.861 18734 4980 1 12 . 1 1 21 21 VAL H H 21 8.412 8.412 7.843 0.569 18734 4981 1 12 . 1 1 22 22 ILE N N 22 120.465 120.465 124.027 -3.562 18734 4982 1 12 . 1 1 22 22 ILE HA H 22 3.873 3.873 3.940 -0.067 18734 4983 1 12 . 1 1 22 22 ILE CA C 22 59.860 59.860 62.464 -2.603 18734 4984 1 12 . 1 1 22 22 ILE CB C 22 37.052 37.052 37.394 -0.342 18734 4985 1 12 . 1 1 22 22 ILE H H 22 7.300 7.300 8.284 -0.984 18734 4986 1 12 . 1 1 23 23 ARG N N 23 122.168 122.168 125.499 -3.331 18734 4987 1 12 . 1 1 23 23 ARG HA H 23 4.940 4.940 4.471 0.469 18734 4988 1 12 . 1 1 23 23 ARG CA C 23 54.175 54.175 57.379 -3.204 18734 4989 1 12 . 1 1 23 23 ARG CB C 23 30.921 30.921 30.753 0.168 18734 4990 1 12 . 1 1 23 23 ARG H H 23 8.328 8.328 7.871 0.457 18734 4991 1 12 . 1 1 24 24 GLU N N 24 117.968 117.968 117.011 0.957 18734 4992 1 12 . 1 1 24 24 GLU HA H 24 5.100 5.100 5.101 -0.001 18734 4993 1 12 . 1 1 24 24 GLU CA C 24 51.948 51.948 55.362 -3.414 18734 4994 1 12 . 1 1 24 24 GLU CB C 24 30.737 30.737 33.486 -2.749 18734 4995 1 12 . 1 1 24 24 GLU H H 24 7.474 7.474 7.578 -0.104 18734 4996 1 12 . 1 1 25 25 ILE N N 25 121.135 121.135 124.538 -3.403 18734 4997 1 12 . 1 1 25 25 ILE HA H 25 4.205 4.205 4.523 -0.318 18734 4998 1 12 . 1 1 25 25 ILE CA C 25 57.149 57.149 60.221 -3.072 18734 4999 1 12 . 1 1 25 25 ILE CB C 25 39.882 39.882 40.233 -0.350 18734 5000 1 12 . 1 1 25 25 ILE H H 25 7.591 7.591 8.310 -0.719 18734 5001 1 12 . 1 1 26 26 THR N N 26 122.935 122.935 123.558 -0.623 18734 5002 1 12 . 1 1 26 26 THR HA H 26 4.999 4.999 4.703 0.296 18734 5003 1 12 . 1 1 26 26 THR CA C 26 59.185 59.185 62.475 -3.290 18734 5004 1 12 . 1 1 26 26 THR CB C 26 67.259 67.259 69.709 -2.450 18734 5005 1 12 . 1 1 26 26 THR H H 26 8.243 8.243 8.514 -0.271 18734 5006 1 12 . 1 1 27 27 VAL N N 27 124.220 124.220 126.059 -1.839 18734 5007 1 12 . 1 1 27 27 VAL HA H 27 4.421 4.421 4.415 0.006 18734 5008 1 12 . 1 1 27 27 VAL CA C 27 58.144 58.144 61.310 -3.166 18734 5009 1 12 . 1 1 27 27 VAL CB C 27 30.727 30.727 34.361 -3.634 18734 5010 1 12 . 1 1 27 27 VAL H H 27 9.216 9.216 8.931 0.285 18734 5011 1 12 . 1 1 28 28 GLN N N 28 129.280 129.280 127.659 1.621 18734 5012 1 12 . 1 1 28 28 GLN HA H 28 4.702 4.702 4.737 -0.035 18734 5013 1 12 . 1 1 28 28 GLN CB C 28 25.480 25.480 28.074 -2.594 18734 5014 1 12 . 1 1 28 28 GLN H H 28 8.782 8.782 8.743 0.039 18734 5015 1 12 . 1 1 29 29 PRO HA H 29 3.457 3.457 3.171 0.286 18734 5016 1 12 . 1 1 29 29 PRO CA C 29 60.712 60.712 62.652 -1.940 18734 5017 1 12 . 1 1 29 29 PRO CB C 29 30.122 30.122 32.132 -2.010 18734 5018 1 12 . 1 1 30 30 ASN N N 30 113.396 113.396 116.149 -2.753 18734 5019 1 12 . 1 1 30 30 ASN HA H 30 4.329 4.329 4.153 0.176 18734 5020 1 12 . 1 1 30 30 ASN CA C 30 51.999 51.999 54.622 -2.623 18734 5021 1 12 . 1 1 30 30 ASN CB C 30 34.627 34.627 37.286 -2.659 18734 5022 1 12 . 1 1 30 30 ASN H H 30 8.199 8.199 8.394 -0.195 18734 5023 1 12 . 1 1 31 31 ILE N N 31 115.907 115.907 118.611 -2.704 18734 5024 1 12 . 1 1 31 31 ILE HA H 31 4.395 4.395 4.311 0.084 18734 5025 1 12 . 1 1 31 31 ILE CA C 31 57.434 57.434 60.688 -3.254 18734 5026 1 12 . 1 1 31 31 ILE CB C 31 36.859 36.859 38.400 -1.541 18734 5027 1 12 . 1 1 31 31 ILE H H 31 8.201 8.201 7.885 0.316 18734 5028 1 12 . 1 1 32 32 GLY N N 32 111.217 111.217 109.991 1.226 18734 5029 1 12 . 1 1 32 32 GLY CA C 32 41.729 41.729 44.531 -2.802 18734 5030 1 12 . 1 1 32 32 GLY H H 32 7.998 7.998 7.939 0.059 18734 5031 1 12 . 1 1 33 33 LEU N N 33 120.007 120.007 120.324 -0.317 18734 5032 1 12 . 1 1 33 33 LEU HA H 33 3.880 3.880 4.623 -0.743 18734 5033 1 12 . 1 1 33 33 LEU CA C 33 53.595 53.595 54.688 -1.093 18734 5034 1 12 . 1 1 33 33 LEU CB C 33 40.528 40.528 43.305 -2.777 18734 5035 1 12 . 1 1 33 33 LEU H H 33 7.820 7.820 8.470 -0.650 18734 5036 1 12 . 1 1 34 34 LEU N N 34 128.106 128.106 127.094 1.012 18734 5037 1 12 . 1 1 34 34 LEU HA H 34 4.485 4.485 4.314 0.171 18734 5038 1 12 . 1 1 34 34 LEU CA C 34 51.078 51.078 54.701 -3.623 18734 5039 1 12 . 1 1 34 34 LEU CB C 34 37.447 37.447 41.666 -4.218 18734 5040 1 12 . 1 1 34 34 LEU H H 34 8.551 8.551 8.534 0.017 18734 5041 1 12 . 1 1 35 35 TYR N N 35 121.473 121.473 120.556 0.917 18734 5042 1 12 . 1 1 35 35 TYR HA H 35 4.240 4.240 4.834 -0.594 18734 5043 1 12 . 1 1 35 35 TYR CA C 35 53.814 53.814 54.546 -0.732 18734 5044 1 12 . 1 1 35 35 TYR CB C 35 36.868 36.868 39.846 -2.978 18734 5045 1 12 . 1 1 35 35 TYR H H 35 6.363 6.363 7.887 -1.524 18734 5046 1 12 . 1 1 36 36 ASP N N 36 119.590 119.590 118.534 1.056 18734 5047 1 12 . 1 1 36 36 ASP HA H 36 3.980 3.980 4.658 -0.678 18734 5048 1 12 . 1 1 36 36 ASP CA C 36 52.760 52.760 54.520 -1.760 18734 5049 1 12 . 1 1 36 36 ASP CB C 36 37.119 37.119 41.415 -4.296 18734 5050 1 12 . 1 1 36 36 ASP H H 36 8.573 8.573 8.405 0.168 18734 5051 1 12 . 1 1 37 37 GLY N N 37 108.636 108.636 109.565 -0.929 18734 5052 1 12 . 1 1 37 37 GLY CA C 37 44.335 44.335 46.393 -2.058 18734 5053 1 12 . 1 1 37 37 GLY H H 37 7.903 7.903 8.801 -0.898 18734 5054 1 12 . 1 1 38 38 MET N N 38 120.339 120.339 119.356 0.983 18734 5055 1 12 . 1 1 38 38 MET HA H 38 3.631 3.631 3.708 -0.077 18734 5056 1 12 . 1 1 38 38 MET CA C 38 56.101 56.101 57.325 -1.224 18734 5057 1 12 . 1 1 38 38 MET CB C 38 29.166 29.166 31.134 -1.968 18734 5058 1 12 . 1 1 38 38 MET H H 38 7.873 7.873 7.050 0.823 18734 5059 1 12 . 1 1 39 39 PHE N N 39 115.430 115.430 112.604 2.826 18734 5060 1 12 . 1 1 39 39 PHE HA H 39 4.908 4.908 4.843 0.065 18734 5061 1 12 . 1 1 39 39 PHE CA C 39 52.898 52.898 55.142 -2.244 18734 5062 1 12 . 1 1 39 39 PHE CB C 39 36.647 36.647 37.865 -1.218 18734 5063 1 12 . 1 1 39 39 PHE H H 39 8.504 8.504 7.031 1.473 18734 5064 1 12 . 1 1 40 40 SER N N 40 113.647 113.647 116.966 -3.319 18734 5065 1 12 . 1 1 40 40 SER HA H 40 4.238 4.238 4.123 0.115 18734 5066 1 12 . 1 1 40 40 SER CA C 40 56.954 56.954 60.356 -3.402 18734 5067 1 12 . 1 1 40 40 SER CB C 40 60.458 60.458 62.686 -2.228 18734 5068 1 12 . 1 1 40 40 SER H H 40 7.264 7.264 7.747 -0.483 18734 5069 1 12 . 1 1 41 41 GLY N N 41 115.225 115.225 113.923 1.302 18734 5070 1 12 . 1 1 41 41 GLY CA C 41 42.941 42.941 44.979 -2.038 18734 5071 1 12 . 1 1 41 41 GLY H H 41 9.110 9.110 8.611 0.499 18734 5072 1 12 . 1 1 42 42 CYS N N 42 120.385 120.385 121.855 -1.470 18734 5073 1 12 . 1 1 42 42 CYS HA H 42 4.761 4.761 4.401 0.360 18734 5074 1 12 . 1 1 42 42 CYS CB C 42 23.867 23.867 25.948 -2.081 18734 5075 1 12 . 1 1 42 42 CYS H H 42 7.929 7.929 8.376 -0.447 18734 5076 1 12 . 1 1 43 43 THR N N 43 113.920 113.920 115.584 -1.664 18734 5077 1 12 . 1 1 43 43 THR HA H 43 3.863 3.863 4.256 -0.393 18734 5078 1 12 . 1 1 43 43 THR CA C 43 61.663 61.663 63.170 -1.507 18734 5079 1 12 . 1 1 43 43 THR CB C 43 66.027 66.027 68.265 -2.238 18734 5080 1 12 . 1 1 43 43 THR H H 43 7.495 7.495 8.237 -0.742 18734 5081 1 12 . 1 1 44 44 ALA N N 44 123.479 123.479 122.210 1.269 18734 5082 1 12 . 1 1 44 44 ALA HA H 44 4.477 4.477 4.565 -0.088 18734 5083 1 12 . 1 1 44 44 ALA CA C 44 48.198 48.198 51.327 -3.129 18734 5084 1 12 . 1 1 44 44 ALA CB C 44 17.096 17.096 19.966 -2.870 18734 5085 1 12 . 1 1 44 44 ALA H H 44 8.551 8.551 7.998 0.553 18734 5086 1 12 . 1 1 45 45 LEU N N 45 121.070 121.070 121.799 -0.729 18734 5087 1 12 . 1 1 45 45 LEU HA H 45 3.981 3.981 4.517 -0.536 18734 5088 1 12 . 1 1 45 45 LEU CA C 45 53.838 53.838 55.431 -1.593 18734 5089 1 12 . 1 1 45 45 LEU CB C 45 40.243 40.243 42.482 -2.239 18734 5090 1 12 . 1 1 45 45 LEU H H 45 6.819 6.819 7.520 -0.701 18734 5091 1 12 . 1 1 46 46 GLU N N 46 128.627 128.627 123.597 5.030 18734 5092 1 12 . 1 1 46 46 GLU HA H 46 4.511 4.511 4.634 -0.123 18734 5093 1 12 . 1 1 46 46 GLU CA C 46 54.357 54.357 56.044 -1.687 18734 5094 1 12 . 1 1 46 46 GLU CB C 46 29.883 29.883 31.371 -1.488 18734 5095 1 12 . 1 1 46 46 GLU H H 46 9.401 9.401 8.589 0.812 18734 5096 1 12 . 1 1 47 47 LYS N N 47 116.297 116.297 120.485 -4.188 18734 5097 1 12 . 1 1 47 47 LYS HA H 47 5.128 5.128 5.058 0.070 18734 5098 1 12 . 1 1 47 47 LYS CA C 47 52.808 52.808 55.118 -2.310 18734 5099 1 12 . 1 1 47 47 LYS CB C 47 35.325 35.325 36.657 -1.331 18734 5100 1 12 . 1 1 47 47 LYS H H 47 7.171 7.171 7.971 -0.800 18734 5101 1 12 . 1 1 48 48 LEU N N 48 125.474 125.474 124.776 0.698 18734 5102 1 12 . 1 1 48 48 LEU HA H 48 4.403 4.403 5.037 -0.634 18734 5103 1 12 . 1 1 48 48 LEU CA C 48 50.489 50.489 53.309 -2.820 18734 5104 1 12 . 1 1 48 48 LEU CB C 48 41.991 41.991 45.867 -3.876 18734 5105 1 12 . 1 1 48 48 LEU H H 48 8.715 8.715 8.727 -0.012 18734 5106 1 12 . 1 1 49 49 ILE N N 49 127.246 127.246 124.501 2.745 18734 5107 1 12 . 1 1 49 49 ILE HA H 49 4.145 4.145 4.786 -0.641 18734 5108 1 12 . 1 1 49 49 ILE CA C 49 58.314 58.314 59.836 -1.522 18734 5109 1 12 . 1 1 49 49 ILE CB C 49 36.125 36.125 41.302 -5.177 18734 5110 1 12 . 1 1 49 49 ILE H H 49 9.131 9.131 8.870 0.261 18734 5111 1 12 . 1 1 50 50 LEU N N 50 128.685 128.685 123.323 5.362 18734 5112 1 12 . 1 1 50 50 LEU HA H 50 4.417 4.417 5.374 -0.957 18734 5113 1 12 . 1 1 50 50 LEU CA C 50 50.414 50.414 53.404 -2.990 18734 5114 1 12 . 1 1 50 50 LEU CB C 50 36.390 36.390 44.309 -7.918 18734 5115 1 12 . 1 1 50 50 LEU H H 50 8.553 8.553 8.320 0.233 18734 5116 1 12 . 1 1 51 51 THR N N 51 109.751 109.751 111.375 -1.624 18734 5117 1 12 . 1 1 51 51 THR HA H 51 3.935 3.935 4.625 -0.690 18734 5118 1 12 . 1 1 51 51 THR CA C 51 60.194 60.194 60.969 -0.775 18734 5119 1 12 . 1 1 51 51 THR CB C 51 66.107 66.107 69.514 -3.407 18734 5120 1 12 . 1 1 51 51 THR H H 51 6.964 6.964 8.842 -1.878 18734 5121 1 12 . 1 1 52 52 GLY N N 52 108.656 108.656 110.748 -2.092 18734 5122 1 12 . 1 1 52 52 GLY CA C 52 42.432 42.432 43.945 -1.513 18734 5123 1 12 . 1 1 52 52 GLY H H 52 8.409 8.409 7.617 0.792 18734 5124 1 12 . 1 1 53 53 GLU N N 53 119.733 119.733 119.221 0.512 18734 5125 1 12 . 1 1 53 53 GLU HA H 53 4.061 4.061 4.547 -0.486 18734 5126 1 12 . 1 1 53 53 GLU CA C 53 54.296 54.296 55.667 -1.371 18734 5127 1 12 . 1 1 53 53 GLU CB C 53 27.425 27.425 30.065 -2.640 18734 5128 1 12 . 1 1 53 53 GLU H H 53 8.741 8.741 8.484 0.257 18734 5129 1 12 . 1 1 54 54 ASP N N 54 118.231 118.231 117.674 0.557 18734 5130 1 12 . 1 1 54 54 ASP HA H 54 5.035 5.035 5.155 -0.120 18734 5131 1 12 . 1 1 54 54 ASP CA C 54 46.882 46.882 51.670 -4.788 18734 5132 1 12 . 1 1 54 54 ASP CB C 54 39.822 39.822 44.433 -4.611 18734 5133 1 12 . 1 1 54 54 ASP H H 54 8.309 8.309 7.753 0.556 18734 5134 1 12 . 1 1 55 55 PRO HA H 55 3.920 3.920 3.815 0.105 18734 5135 1 12 . 1 1 55 55 PRO CA C 55 61.140 61.140 63.632 -2.492 18734 5136 1 12 . 1 1 55 55 PRO CB C 55 30.606 30.606 31.716 -1.110 18734 5137 1 12 . 1 1 56 56 SER N N 56 108.966 108.966 113.416 -4.450 18734 5138 1 12 . 1 1 56 56 SER HA H 56 4.494 4.494 4.568 -0.074 18734 5139 1 12 . 1 1 56 56 SER CA C 56 57.752 57.752 58.933 -1.181 18734 5140 1 12 . 1 1 56 56 SER CB C 56 60.574 60.574 62.525 -1.951 18734 5141 1 12 . 1 1 56 56 SER H H 56 7.998 7.998 8.129 -0.131 18734 5142 1 12 . 1 1 57 57 ALA N N 57 123.346 123.346 122.028 1.318 18734 5143 1 12 . 1 1 57 57 ALA HA H 57 4.197 4.197 4.376 -0.179 18734 5144 1 12 . 1 1 57 57 ALA CA C 57 49.452 49.452 52.340 -2.888 18734 5145 1 12 . 1 1 57 57 ALA CB C 57 17.341 17.341 19.868 -2.527 18734 5146 1 12 . 1 1 57 57 ALA H H 57 7.770 7.770 7.640 0.130 18734 5147 1 12 . 1 1 58 58 TYR N N 58 118.640 118.640 116.492 2.148 18734 5148 1 12 . 1 1 58 58 TYR HA H 58 4.844 4.844 4.869 -0.025 18734 5149 1 12 . 1 1 58 58 TYR CA C 58 54.841 54.841 57.458 -2.617 18734 5150 1 12 . 1 1 58 58 TYR CB C 58 39.626 39.626 41.990 -2.364 18734 5151 1 12 . 1 1 58 58 TYR H H 58 7.878 7.878 7.698 0.180 18734 5152 1 12 . 1 1 59 59 SER N N 59 118.841 118.841 116.500 2.341 18734 5153 1 12 . 1 1 59 59 SER HA H 59 4.584 4.584 4.954 -0.370 18734 5154 1 12 . 1 1 59 59 SER CA C 59 54.332 54.332 57.403 -3.071 18734 5155 1 12 . 1 1 59 59 SER CB C 59 62.866 62.866 65.158 -2.292 18734 5156 1 12 . 1 1 59 59 SER H H 59 9.289 9.289 8.704 0.585 18734 5157 1 12 . 1 1 60 60 ALA N N 60 125.034 125.034 122.308 2.726 18734 5158 1 12 . 1 1 60 60 ALA HA H 60 4.726 4.726 4.638 0.088 18734 5159 1 12 . 1 1 60 60 ALA CB C 60 20.233 20.233 20.653 -0.420 18734 5160 1 12 . 1 1 60 60 ALA H H 60 7.473 7.473 8.355 -0.882 18734 5161 1 12 . 1 1 61 61 GLY N N 61 109.267 109.267 110.838 -1.571 18734 5162 1 12 . 1 1 61 61 GLY CA C 61 41.504 41.504 44.810 -3.306 18734 5163 1 12 . 1 1 61 61 GLY H H 61 9.368 9.368 8.407 0.961 18734 5164 1 12 . 1 1 62 62 ASP N N 62 121.898 121.898 119.017 2.881 18734 5165 1 12 . 1 1 62 62 ASP HA H 62 4.673 4.673 4.436 0.237 18734 5166 1 12 . 1 1 62 62 ASP CB C 62 38.468 38.468 40.936 -2.468 18734 5167 1 12 . 1 1 62 62 ASP H H 62 9.236 9.236 8.618 0.618 18734 5168 1 12 . 1 1 63 63 GLY N N 63 111.438 111.438 108.328 3.110 18734 5169 1 12 . 1 1 63 63 GLY CA C 63 43.099 43.099 43.962 -0.863 18734 5170 1 12 . 1 1 63 63 GLY H H 63 8.774 8.774 8.089 0.685 18734 5171 1 12 . 1 1 64 64 LEU N N 64 125.900 125.900 125.954 -0.054 18734 5172 1 12 . 1 1 64 64 LEU HA H 64 4.169 4.169 4.054 0.115 18734 5173 1 12 . 1 1 64 64 LEU CA C 64 56.103 56.103 57.522 -1.419 18734 5174 1 12 . 1 1 64 64 LEU CB C 64 40.431 40.431 42.036 -1.605 18734 5175 1 12 . 1 1 64 64 LEU H H 64 7.483 7.483 7.884 -0.401 18734 5176 1 12 . 1 1 65 65 ARG N N 65 111.696 111.696 114.702 -3.006 18734 5177 1 12 . 1 1 65 65 ARG HA H 65 4.057 4.057 4.308 -0.251 18734 5178 1 12 . 1 1 65 65 ARG CA C 65 51.787 51.787 55.687 -3.900 18734 5179 1 12 . 1 1 65 65 ARG CB C 65 26.474 26.474 30.258 -3.784 18734 5180 1 12 . 1 1 65 65 ARG H H 65 8.071 8.071 7.769 0.302 18734 5181 1 12 . 1 1 66 66 ASP N N 66 120.559 120.559 120.680 -0.121 18734 5182 1 12 . 1 1 66 66 ASP HA H 66 4.121 4.121 4.380 -0.259 18734 5183 1 12 . 1 1 66 66 ASP CA C 66 53.462 53.462 56.724 -3.262 18734 5184 1 12 . 1 1 66 66 ASP CB C 66 37.557 37.557 41.002 -3.445 18734 5185 1 12 . 1 1 66 66 ASP H H 66 7.293 7.293 7.347 -0.054 18734 5186 1 12 . 1 1 67 67 GLY N N 67 110.131 110.131 110.947 -0.816 18734 5187 1 12 . 1 1 67 67 GLY CA C 67 43.985 43.985 45.190 -1.205 18734 5188 1 12 . 1 1 67 67 GLY H H 67 8.695 8.695 8.363 0.332 18734 5189 1 12 . 1 1 68 68 ALA N N 68 123.462 123.462 122.823 0.639 18734 5190 1 12 . 1 1 68 68 ALA HA H 68 4.385 4.385 4.727 -0.342 18734 5191 1 12 . 1 1 68 68 ALA CA C 68 49.065 49.065 51.921 -2.856 18734 5192 1 12 . 1 1 68 68 ALA CB C 68 19.402 19.402 21.672 -2.270 18734 5193 1 12 . 1 1 68 68 ALA H H 68 8.058 8.058 7.840 0.218 18734 5194 1 12 . 1 1 69 69 ASP N N 69 116.343 116.343 118.260 -1.917 18734 5195 1 12 . 1 1 69 69 ASP HA H 69 4.524 4.524 4.704 -0.180 18734 5196 1 12 . 1 1 69 69 ASP CA C 69 51.240 51.240 54.185 -2.945 18734 5197 1 12 . 1 1 69 69 ASP CB C 69 39.076 39.076 42.742 -3.666 18734 5198 1 12 . 1 1 69 69 ASP H H 69 8.721 8.721 8.485 0.236 18734 5199 1 12 . 1 1 70 70 PHE N N 70 113.658 113.658 120.448 -6.790 18734 5200 1 12 . 1 1 70 70 PHE HA H 70 4.648 4.648 4.959 -0.311 18734 5201 1 12 . 1 1 70 70 PHE CA C 70 52.114 52.114 55.045 -2.931 18734 5202 1 12 . 1 1 70 70 PHE CB C 70 38.375 38.375 41.066 -2.691 18734 5203 1 12 . 1 1 70 70 PHE H H 70 5.865 5.865 7.318 -1.453 18734 5204 1 12 . 1 1 71 71 LEU N N 71 119.766 119.766 120.387 -0.621 18734 5205 1 12 . 1 1 71 71 LEU HA H 71 4.915 4.915 4.619 0.296 18734 5206 1 12 . 1 1 71 71 LEU CA C 71 50.797 50.797 54.199 -3.401 18734 5207 1 12 . 1 1 71 71 LEU CB C 71 41.482 41.482 44.181 -2.699 18734 5208 1 12 . 1 1 71 71 LEU H H 71 7.964 7.964 8.821 -0.857 18734 5209 1 12 . 1 1 72 72 ILE N N 72 123.675 123.675 121.318 2.357 18734 5210 1 12 . 1 1 72 72 ILE HA H 72 4.728 4.728 4.526 0.202 18734 5211 1 12 . 1 1 72 72 ILE CB C 72 36.921 36.921 39.487 -2.566 18734 5212 1 12 . 1 1 72 72 ILE H H 72 9.073 9.073 8.988 0.085 18734 5213 1 12 . 1 1 73 73 CYS N N 73 125.409 125.409 127.080 -1.671 18734 5214 1 12 . 1 1 73 73 CYS HA H 73 5.534 5.534 5.596 -0.062 18734 5215 1 12 . 1 1 73 73 CYS CA C 73 54.056 54.056 57.438 -3.382 18734 5216 1 12 . 1 1 73 73 CYS CB C 73 27.753 27.753 29.561 -1.808 18734 5217 1 12 . 1 1 73 73 CYS H H 73 9.060 9.060 8.876 0.184 18734 5218 1 12 . 1 1 74 74 VAL N N 74 114.408 114.408 117.426 -3.018 18734 5219 1 12 . 1 1 74 74 VAL HA H 74 4.951 4.951 4.654 0.297 18734 5220 1 12 . 1 1 74 74 VAL CA C 74 54.229 54.229 57.513 -3.284 18734 5221 1 12 . 1 1 74 74 VAL CB C 74 29.675 29.675 33.784 -4.109 18734 5222 1 12 . 1 1 74 74 VAL H H 74 7.938 7.938 8.790 -0.852 18734 5223 1 12 . 1 1 75 75 PRO HA H 75 4.283 4.283 4.575 -0.292 18734 5224 1 12 . 1 1 75 75 PRO CA C 75 60.889 60.889 62.336 -1.447 18734 5225 1 12 . 1 1 75 75 PRO CB C 75 29.499 29.499 32.605 -3.106 18734 5226 1 12 . 1 1 76 76 GLU N N 76 126.159 126.159 123.545 2.614 18734 5227 1 12 . 1 1 76 76 GLU HA H 76 3.664 3.664 3.830 -0.166 18734 5228 1 12 . 1 1 76 76 GLU CA C 76 58.112 58.112 59.724 -1.612 18734 5229 1 12 . 1 1 76 76 GLU CB C 76 26.894 26.894 28.879 -1.985 18734 5230 1 12 . 1 1 76 76 GLU H H 76 9.130 9.130 8.951 0.179 18734 5231 1 12 . 1 1 77 77 GLU N N 77 117.145 117.145 119.150 -2.005 18734 5232 1 12 . 1 1 77 77 GLU HA H 77 4.100 4.100 4.145 -0.045 18734 5233 1 12 . 1 1 77 77 GLU CA C 77 55.734 55.734 57.994 -2.260 18734 5234 1 12 . 1 1 77 77 GLU CB C 77 26.315 26.315 29.325 -3.010 18734 5235 1 12 . 1 1 77 77 GLU H H 77 9.350 9.350 8.582 0.768 18734 5236 1 12 . 1 1 78 78 ALA N N 78 120.398 120.398 119.443 0.955 18734 5237 1 12 . 1 1 78 78 ALA HA H 78 4.699 4.699 4.409 0.290 18734 5238 1 12 . 1 1 78 78 ALA CB C 78 18.962 18.962 18.818 0.144 18734 5239 1 12 . 1 1 78 78 ALA H H 78 8.044 8.044 7.832 0.212 18734 5240 1 12 . 1 1 79 79 LEU N N 79 122.497 122.497 121.058 1.439 18734 5241 1 12 . 1 1 79 79 LEU HA H 79 3.710 3.710 3.888 -0.178 18734 5242 1 12 . 1 1 79 79 LEU CA C 79 56.837 56.837 58.406 -1.569 18734 5243 1 12 . 1 1 79 79 LEU CB C 79 40.952 40.952 41.740 -0.789 18734 5244 1 12 . 1 1 79 79 LEU H H 79 7.331 7.331 7.355 -0.024 18734 5245 1 12 . 1 1 80 80 ASP N N 80 116.432 116.432 116.956 -0.524 18734 5246 1 12 . 1 1 80 80 ASP HA H 80 4.357 4.357 4.455 -0.098 18734 5247 1 12 . 1 1 80 80 ASP CA C 80 54.751 54.751 56.857 -2.106 18734 5248 1 12 . 1 1 80 80 ASP CB C 80 38.534 38.534 40.462 -1.927 18734 5249 1 12 . 1 1 80 80 ASP H H 80 8.305 8.305 8.614 -0.309 18734 5250 1 12 . 1 1 81 81 ARG N N 81 119.433 119.433 119.907 -0.474 18734 5251 1 12 . 1 1 81 81 ARG HA H 81 3.894 3.894 4.089 -0.195 18734 5252 1 12 . 1 1 81 81 ARG CA C 81 56.473 56.473 59.728 -3.256 18734 5253 1 12 . 1 1 81 81 ARG CB C 81 27.481 27.481 30.294 -2.813 18734 5254 1 12 . 1 1 81 81 ARG H H 81 7.638 7.638 8.276 -0.638 18734 5255 1 12 . 1 1 82 82 TYR N N 82 116.397 116.397 116.977 -0.580 18734 5256 1 12 . 1 1 82 82 TYR HA H 82 3.830 3.830 4.392 -0.562 18734 5257 1 12 . 1 1 82 82 TYR CA C 82 61.170 61.170 60.080 1.090 18734 5258 1 12 . 1 1 82 82 TYR CB C 82 37.031 37.031 37.971 -0.940 18734 5259 1 12 . 1 1 82 82 TYR H H 82 8.198 8.198 8.447 -0.249 18734 5260 1 12 . 1 1 83 83 ARG N N 83 113.114 113.114 118.413 -5.299 18734 5261 1 12 . 1 1 83 83 ARG HA H 83 3.728 3.728 4.213 -0.485 18734 5262 1 12 . 1 1 83 83 ARG CA C 83 58.115 58.115 58.839 -0.724 18734 5263 1 12 . 1 1 83 83 ARG CB C 83 28.107 28.107 30.124 -2.017 18734 5264 1 12 . 1 1 83 83 ARG H H 83 8.151 8.151 7.694 0.457 18734 5265 1 12 . 1 1 84 84 ARG N N 84 111.791 111.791 117.073 -5.282 18734 5266 1 12 . 1 1 84 84 ARG HA H 84 4.386 4.386 4.428 -0.042 18734 5267 1 12 . 1 1 84 84 ARG CA C 84 52.335 52.335 56.335 -4.000 18734 5268 1 12 . 1 1 84 84 ARG CB C 84 27.987 27.987 30.156 -2.169 18734 5269 1 12 . 1 1 84 84 ARG H H 84 7.571 7.571 7.691 -0.120 18734 5270 1 12 . 1 1 85 85 ASP N N 85 123.157 123.157 120.047 3.110 18734 5271 1 12 . 1 1 85 85 ASP HA H 85 4.373 4.373 4.648 -0.275 18734 5272 1 12 . 1 1 85 85 ASP CA C 85 52.852 52.852 53.368 -0.516 18734 5273 1 12 . 1 1 85 85 ASP CB C 85 42.482 42.482 42.704 -0.222 18734 5274 1 12 . 1 1 85 85 ASP H H 85 7.200 7.200 7.491 -0.291 18734 5275 1 12 . 1 1 86 86 TYR N N 86 123.389 123.389 123.674 -0.285 18734 5276 1 12 . 1 1 86 86 TYR HA H 86 4.092 4.092 4.397 -0.305 18734 5277 1 12 . 1 1 86 86 TYR CA C 86 58.674 58.674 61.106 -2.432 18734 5278 1 12 . 1 1 86 86 TYR CB C 86 35.801 35.801 39.120 -3.319 18734 5279 1 12 . 1 1 86 86 TYR H H 86 8.440 8.440 8.727 -0.287 18734 5280 1 12 . 1 1 87 87 PHE N N 87 117.092 117.092 118.421 -1.329 18734 5281 1 12 . 1 1 87 87 PHE HA H 87 4.378 4.378 4.496 -0.118 18734 5282 1 12 . 1 1 87 87 PHE CA C 87 57.433 57.433 57.035 0.398 18734 5283 1 12 . 1 1 87 87 PHE CB C 87 37.442 37.442 39.747 -2.305 18734 5284 1 12 . 1 1 87 87 PHE H H 87 7.931 7.931 8.491 -0.560 18734 5285 1 12 . 1 1 88 88 TRP N N 88 121.396 121.396 118.975 2.421 18734 5286 1 12 . 1 1 88 88 TRP HA H 88 3.798 3.798 4.068 -0.270 18734 5287 1 12 . 1 1 88 88 TRP CA C 88 59.544 59.544 60.061 -0.517 18734 5288 1 12 . 1 1 88 88 TRP CB C 88 26.293 26.293 28.993 -2.700 18734 5289 1 12 . 1 1 88 88 TRP H H 88 9.757 9.757 8.389 1.368 18734 5290 1 12 . 1 1 89 89 GLN N N 89 117.760 117.760 117.222 0.538 18734 5291 1 12 . 1 1 89 89 GLN HA H 89 4.393 4.393 3.922 0.471 18734 5292 1 12 . 1 1 89 89 GLN CA C 89 55.882 55.882 58.882 -3.000 18734 5293 1 12 . 1 1 89 89 GLN CB C 89 30.198 30.198 28.377 1.821 18734 5294 1 12 . 1 1 89 89 GLN H H 89 8.490 8.490 8.047 0.443 18734 5295 1 12 . 1 1 90 90 THR N N 90 118.285 118.285 115.464 2.821 18734 5296 1 12 . 1 1 90 90 THR HA H 90 3.686 3.686 3.962 -0.276 18734 5297 1 12 . 1 1 90 90 THR CA C 90 62.770 62.770 65.991 -3.221 18734 5298 1 12 . 1 1 90 90 THR CB C 90 66.664 66.664 68.772 -2.108 18734 5299 1 12 . 1 1 90 90 THR H H 90 7.932 7.932 7.776 0.156 18734 5300 1 12 . 1 1 91 91 TYR N N 91 118.448 118.448 118.784 -0.336 18734 5301 1 12 . 1 1 91 91 TYR HA H 91 4.975 4.975 4.936 0.039 18734 5302 1 12 . 1 1 91 91 TYR CA C 91 55.511 55.511 57.999 -2.488 18734 5303 1 12 . 1 1 91 91 TYR CB C 91 37.126 37.126 37.414 -0.288 18734 5304 1 12 . 1 1 91 91 TYR H H 91 8.009 8.009 7.650 0.359 18734 5305 1 12 . 1 1 92 92 ALA N N 92 122.351 122.351 123.911 -1.560 18734 5306 1 12 . 1 1 92 92 ALA HA H 92 3.843 3.843 4.058 -0.215 18734 5307 1 12 . 1 1 92 92 ALA CA C 92 54.108 54.108 55.020 -0.912 18734 5308 1 12 . 1 1 92 92 ALA CB C 92 16.505 16.505 18.164 -1.659 18734 5309 1 12 . 1 1 92 92 ALA H H 92 7.665 7.665 8.209 -0.544 18734 5310 1 12 . 1 1 93 93 ALA N N 93 117.548 117.548 118.820 -1.272 18734 5311 1 12 . 1 1 93 93 ALA HA H 93 3.702 3.702 3.797 -0.095 18734 5312 1 12 . 1 1 93 93 ALA CA C 93 51.371 51.371 53.065 -1.694 18734 5313 1 12 . 1 1 93 93 ALA CB C 93 14.292 14.292 17.586 -3.294 18734 5314 1 12 . 1 1 93 93 ALA H H 93 8.275 8.275 7.998 0.277 18734 5315 1 12 . 1 1 94 94 TRP N N 94 115.303 115.303 114.114 1.189 18734 5316 1 12 . 1 1 94 94 TRP HA H 94 4.669 4.669 4.935 -0.266 18734 5317 1 12 . 1 1 94 94 TRP CB C 94 26.912 26.912 30.105 -3.193 18734 5318 1 12 . 1 1 94 94 TRP H H 94 8.203 8.203 7.541 0.662 18734 5319 1 12 . 1 1 95 95 ILE N N 95 120.680 120.680 121.627 -0.947 18734 5320 1 12 . 1 1 95 95 ILE HA H 95 5.325 5.325 4.837 0.488 18734 5321 1 12 . 1 1 95 95 ILE CA C 95 57.930 57.930 61.016 -3.086 18734 5322 1 12 . 1 1 95 95 ILE CB C 95 36.508 36.508 38.846 -2.338 18734 5323 1 12 . 1 1 95 95 ILE H H 95 7.153 7.153 7.876 -0.723 18734 5324 1 12 . 1 1 96 96 GLN N N 96 128.223 128.223 125.192 3.031 18734 5325 1 12 . 1 1 96 96 GLN HA H 96 4.691 4.691 4.990 -0.299 18734 5326 1 12 . 1 1 96 96 GLN CB C 96 28.885 28.885 29.699 -0.814 18734 5327 1 12 . 1 1 96 96 GLN H H 96 9.189 9.189 8.883 0.306 18734 5328 1 12 . 1 1 97 97 PRO HA H 97 4.833 4.833 4.725 0.108 18734 5329 1 12 . 1 1 97 97 PRO CA C 97 59.122 59.122 62.714 -3.592 18734 5330 1 12 . 1 1 97 97 PRO CB C 97 29.515 29.515 32.400 -2.885 18734 5331 1 12 . 1 1 98 98 MET N N 98 120.815 120.815 120.567 0.248 18734 5332 1 12 . 1 1 98 98 MET HA H 98 4.116 4.116 4.629 -0.513 18734 5333 1 12 . 1 1 98 98 MET CA C 98 52.944 52.944 55.743 -2.799 18734 5334 1 12 . 1 1 98 98 MET CB C 98 30.981 30.981 33.345 -2.364 18734 5335 1 12 . 1 1 98 98 MET H H 98 8.551 8.551 8.127 0.424 18734 5336 1 12 . 1 1 99 99 GLU N N 99 124.677 124.677 121.364 3.313 18734 5337 1 12 . 1 1 99 99 GLU HA H 99 4.220 4.220 4.422 -0.202 18734 5338 1 12 . 1 1 99 99 GLU CA C 99 53.952 53.952 55.711 -1.759 18734 5339 1 12 . 1 1 99 99 GLU CB C 99 27.803 27.803 30.003 -2.200 18734 5340 1 12 . 1 1 99 99 GLU H H 99 8.532 8.532 8.374 0.158 18734 5341 1 13 . 1 1 2 2 SER HA H 2 4.373 4.373 4.629 -0.256 18734 5342 1 13 . 1 1 2 2 SER CA C 2 55.756 55.756 58.010 -2.254 18734 5343 1 13 . 1 1 2 2 SER CB C 2 61.143 61.143 65.082 -3.939 18734 5344 1 13 . 1 1 3 3 HIS HA H 3 4.613 4.613 4.604 0.009 18734 5345 1 13 . 1 1 3 3 HIS CA C 3 52.991 52.991 56.529 -3.538 18734 5346 1 13 . 1 1 3 3 HIS CB C 3 26.607 26.607 31.888 -5.281 18734 5347 1 13 . 1 1 4 4 GLU N N 4 122.124 122.124 125.187 -3.063 18734 5348 1 13 . 1 1 4 4 GLU HA H 4 4.171 4.171 4.273 -0.102 18734 5349 1 13 . 1 1 4 4 GLU CA C 4 54.441 54.441 55.442 -1.001 18734 5350 1 13 . 1 1 4 4 GLU CB C 4 27.585 27.585 28.630 -1.044 18734 5351 1 13 . 1 1 4 4 GLU H H 4 8.415 8.415 8.557 -0.142 18734 5352 1 13 . 1 1 5 5 GLY N N 5 110.434 110.434 109.225 1.209 18734 5353 1 13 . 1 1 5 5 GLY CA C 5 42.610 42.610 46.029 -3.419 18734 5354 1 13 . 1 1 5 5 GLY H H 5 8.488 8.488 8.152 0.336 18734 5355 1 13 . 1 1 6 6 GLU N N 6 121.376 121.376 120.260 1.116 18734 5356 1 13 . 1 1 6 6 GLU HA H 6 4.560 4.560 4.803 -0.243 18734 5357 1 13 . 1 1 6 6 GLU CA C 6 51.629 51.629 53.278 -1.649 18734 5358 1 13 . 1 1 6 6 GLU CB C 6 26.998 26.998 30.895 -3.897 18734 5359 1 13 . 1 1 6 6 GLU H H 6 7.954 7.954 7.960 -0.006 18734 5360 1 13 . 1 1 7 7 PRO HA H 7 4.464 4.464 4.451 0.013 18734 5361 1 13 . 1 1 7 7 PRO CA C 7 60.517 60.517 63.014 -2.497 18734 5362 1 13 . 1 1 7 7 PRO CB C 7 29.486 29.486 31.280 -1.794 18734 5363 1 13 . 1 1 8 8 VAL N N 8 120.493 120.493 120.620 -0.127 18734 5364 1 13 . 1 1 8 8 VAL HA H 8 4.387 4.387 4.396 -0.009 18734 5365 1 13 . 1 1 8 8 VAL CA C 8 58.483 58.483 59.644 -1.161 18734 5366 1 13 . 1 1 8 8 VAL CB C 8 31.177 31.177 34.685 -3.508 18734 5367 1 13 . 1 1 8 8 VAL H H 8 8.177 8.177 7.357 0.820 18734 5368 1 13 . 1 1 9 9 VAL N N 9 124.516 124.516 121.323 3.193 18734 5369 1 13 . 1 1 9 9 VAL HA H 9 4.024 4.024 4.644 -0.620 18734 5370 1 13 . 1 1 9 9 VAL CA C 9 60.336 60.336 60.761 -0.425 18734 5371 1 13 . 1 1 9 9 VAL CB C 9 29.995 29.995 33.472 -3.477 18734 5372 1 13 . 1 1 9 9 VAL H H 9 8.246 8.246 8.475 -0.229 18734 5373 1 13 . 1 1 10 10 GLY N N 10 114.968 114.968 116.996 -2.028 18734 5374 1 13 . 1 1 10 10 GLY CA C 10 42.318 42.318 45.463 -3.145 18734 5375 1 13 . 1 1 10 10 GLY H H 10 8.595 8.595 8.214 0.381 18734 5376 1 13 . 1 1 11 11 MET N N 11 120.532 120.532 120.267 0.265 18734 5377 1 13 . 1 1 11 11 MET CA C 11 53.802 53.802 58.224 -4.422 18734 5378 1 13 . 1 1 11 11 MET CB C 11 30.698 30.698 31.542 -0.844 18734 5379 1 13 . 1 1 11 11 MET H H 11 8.320 8.320 8.522 -0.202 18734 5380 1 13 . 1 1 12 12 ASP N N 12 120.515 120.515 120.263 0.252 18734 5381 1 13 . 1 1 12 12 ASP HA H 12 4.637 4.637 4.436 0.201 18734 5382 1 13 . 1 1 12 12 ASP CB C 12 38.090 38.090 38.440 -0.350 18734 5383 1 13 . 1 1 12 12 ASP H H 12 8.261 8.261 8.426 -0.165 18734 5384 1 13 . 1 1 13 13 LYS N N 13 123.685 123.685 121.066 2.619 18734 5385 1 13 . 1 1 13 13 LYS HA H 13 4.623 4.623 4.427 0.196 18734 5386 1 13 . 1 1 13 13 LYS CA C 13 50.898 50.898 56.316 -5.418 18734 5387 1 13 . 1 1 13 13 LYS CB C 13 30.003 30.003 30.018 -0.015 18734 5388 1 13 . 1 1 13 13 LYS H H 13 8.579 8.579 8.295 0.284 18734 5389 1 13 . 1 1 14 14 SER N N 14 115.048 115.048 114.688 0.360 18734 5390 1 13 . 1 1 14 14 SER HA H 14 4.447 4.447 4.820 -0.373 18734 5391 1 13 . 1 1 14 14 SER CA C 14 56.917 56.917 58.813 -1.896 18734 5392 1 13 . 1 1 14 14 SER CB C 14 61.536 61.536 65.040 -3.504 18734 5393 1 13 . 1 1 14 14 SER H H 14 8.507 8.507 9.178 -0.670 18734 5394 1 13 . 1 1 15 15 LEU N N 15 119.294 119.294 120.920 -1.626 18734 5395 1 13 . 1 1 15 15 LEU HA H 15 3.989 3.989 4.607 -0.618 18734 5396 1 13 . 1 1 15 15 LEU CA C 15 53.219 53.219 55.293 -2.074 18734 5397 1 13 . 1 1 15 15 LEU CB C 15 39.813 39.813 42.547 -2.734 18734 5398 1 13 . 1 1 15 15 LEU H H 15 6.908 6.908 7.657 -0.749 18734 5399 1 13 . 1 1 16 16 PHE N N 16 117.103 117.103 119.567 -2.464 18734 5400 1 13 . 1 1 16 16 PHE HA H 16 4.397 4.397 4.307 0.090 18734 5401 1 13 . 1 1 16 16 PHE CA C 16 56.719 56.719 60.735 -4.016 18734 5402 1 13 . 1 1 16 16 PHE CB C 16 37.917 37.917 38.444 -0.527 18734 5403 1 13 . 1 1 16 16 PHE H H 16 7.658 7.658 8.109 -0.451 18734 5404 1 13 . 1 1 17 17 ALA N N 17 120.694 120.694 119.293 1.401 18734 5405 1 13 . 1 1 17 17 ALA HA H 17 3.964 3.964 4.333 -0.369 18734 5406 1 13 . 1 1 17 17 ALA CA C 17 51.840 51.840 52.406 -0.566 18734 5407 1 13 . 1 1 17 17 ALA CB C 17 15.004 15.004 16.878 -1.874 18734 5408 1 13 . 1 1 17 17 ALA H H 17 7.514 7.514 7.848 -0.334 18734 5409 1 13 . 1 1 18 18 GLY N N 18 110.007 110.007 107.391 2.616 18734 5410 1 13 . 1 1 18 18 GLY CA C 18 43.150 43.150 44.873 -1.723 18734 5411 1 13 . 1 1 18 18 GLY H H 18 8.204 8.204 8.169 0.035 18734 5412 1 13 . 1 1 19 19 ASN N N 19 119.323 119.323 119.283 0.040 18734 5413 1 13 . 1 1 19 19 ASN HA H 19 4.733 4.733 4.862 -0.129 18734 5414 1 13 . 1 1 19 19 ASN CB C 19 36.020 36.020 41.010 -4.990 18734 5415 1 13 . 1 1 19 19 ASN H H 19 8.124 8.124 7.701 0.423 18734 5416 1 13 . 1 1 20 20 THR N N 20 116.844 116.844 113.047 3.797 18734 5417 1 13 . 1 1 20 20 THR HA H 20 4.243 4.243 4.560 -0.317 18734 5418 1 13 . 1 1 20 20 THR CA C 20 60.224 60.224 61.947 -1.723 18734 5419 1 13 . 1 1 20 20 THR CB C 20 66.167 66.167 69.082 -2.915 18734 5420 1 13 . 1 1 20 20 THR H H 20 8.400 8.400 8.588 -0.188 18734 5421 1 13 . 1 1 21 21 VAL N N 21 117.661 117.661 119.631 -1.970 18734 5422 1 13 . 1 1 21 21 VAL HA H 21 4.161 4.161 4.213 -0.052 18734 5423 1 13 . 1 1 21 21 VAL CA C 21 59.739 59.739 62.032 -2.293 18734 5424 1 13 . 1 1 21 21 VAL CB C 21 31.224 31.224 32.501 -1.277 18734 5425 1 13 . 1 1 21 21 VAL H H 21 8.412 8.412 7.796 0.616 18734 5426 1 13 . 1 1 22 22 ILE N N 22 120.465 120.465 122.762 -2.297 18734 5427 1 13 . 1 1 22 22 ILE HA H 22 3.873 3.873 4.157 -0.284 18734 5428 1 13 . 1 1 22 22 ILE CA C 22 59.860 59.860 61.266 -1.406 18734 5429 1 13 . 1 1 22 22 ILE CB C 22 37.052 37.052 37.923 -0.871 18734 5430 1 13 . 1 1 22 22 ILE H H 22 7.300 7.300 7.892 -0.592 18734 5431 1 13 . 1 1 23 23 ARG N N 23 122.168 122.168 126.926 -4.758 18734 5432 1 13 . 1 1 23 23 ARG HA H 23 4.940 4.940 4.710 0.230 18734 5433 1 13 . 1 1 23 23 ARG CA C 23 54.175 54.175 55.977 -1.802 18734 5434 1 13 . 1 1 23 23 ARG CB C 23 30.921 30.921 31.214 -0.293 18734 5435 1 13 . 1 1 23 23 ARG H H 23 8.328 8.328 8.706 -0.378 18734 5436 1 13 . 1 1 24 24 GLU N N 24 117.968 117.968 118.508 -0.540 18734 5437 1 13 . 1 1 24 24 GLU HA H 24 5.100 5.100 4.812 0.288 18734 5438 1 13 . 1 1 24 24 GLU CA C 24 51.948 51.948 55.190 -3.242 18734 5439 1 13 . 1 1 24 24 GLU CB C 24 30.737 30.737 34.010 -3.273 18734 5440 1 13 . 1 1 24 24 GLU H H 24 7.474 7.474 7.637 -0.163 18734 5441 1 13 . 1 1 25 25 ILE N N 25 121.135 121.135 121.753 -0.618 18734 5442 1 13 . 1 1 25 25 ILE HA H 25 4.205 4.205 4.521 -0.316 18734 5443 1 13 . 1 1 25 25 ILE CA C 25 57.149 57.149 60.175 -3.026 18734 5444 1 13 . 1 1 25 25 ILE CB C 25 39.882 39.882 40.693 -0.811 18734 5445 1 13 . 1 1 25 25 ILE H H 25 7.591 7.591 8.063 -0.472 18734 5446 1 13 . 1 1 26 26 THR N N 26 122.935 122.935 124.827 -1.892 18734 5447 1 13 . 1 1 26 26 THR HA H 26 4.999 4.999 4.603 0.396 18734 5448 1 13 . 1 1 26 26 THR CA C 26 59.185 59.185 63.278 -4.093 18734 5449 1 13 . 1 1 26 26 THR CB C 26 67.259 67.259 69.207 -1.948 18734 5450 1 13 . 1 1 26 26 THR H H 26 8.243 8.243 8.621 -0.378 18734 5451 1 13 . 1 1 27 27 VAL N N 27 124.220 124.220 125.610 -1.390 18734 5452 1 13 . 1 1 27 27 VAL HA H 27 4.421 4.421 4.651 -0.230 18734 5453 1 13 . 1 1 27 27 VAL CA C 27 58.144 58.144 59.780 -1.636 18734 5454 1 13 . 1 1 27 27 VAL CB C 27 30.727 30.727 34.725 -3.998 18734 5455 1 13 . 1 1 27 27 VAL H H 27 9.216 9.216 8.970 0.246 18734 5456 1 13 . 1 1 28 28 GLN N N 28 129.280 129.280 118.696 10.584 18734 5457 1 13 . 1 1 28 28 GLN HA H 28 4.702 4.702 5.326 -0.624 18734 5458 1 13 . 1 1 28 28 GLN CB C 28 25.480 25.480 30.595 -5.115 18734 5459 1 13 . 1 1 28 28 GLN H H 28 8.782 8.782 8.447 0.335 18734 5460 1 13 . 1 1 29 29 PRO HA H 29 3.457 3.457 3.195 0.262 18734 5461 1 13 . 1 1 29 29 PRO CA C 29 60.712 60.712 62.459 -1.747 18734 5462 1 13 . 1 1 29 29 PRO CB C 29 30.122 30.122 32.173 -2.051 18734 5463 1 13 . 1 1 30 30 ASN N N 30 113.396 113.396 114.821 -1.425 18734 5464 1 13 . 1 1 30 30 ASN HA H 30 4.329 4.329 4.189 0.140 18734 5465 1 13 . 1 1 30 30 ASN CA C 30 51.999 51.999 54.327 -2.328 18734 5466 1 13 . 1 1 30 30 ASN CB C 30 34.627 34.627 37.604 -2.977 18734 5467 1 13 . 1 1 30 30 ASN H H 30 8.199 8.199 8.404 -0.205 18734 5468 1 13 . 1 1 31 31 ILE N N 31 115.907 115.907 118.404 -2.497 18734 5469 1 13 . 1 1 31 31 ILE HA H 31 4.395 4.395 4.290 0.105 18734 5470 1 13 . 1 1 31 31 ILE CA C 31 57.434 57.434 60.290 -2.856 18734 5471 1 13 . 1 1 31 31 ILE CB C 31 36.859 36.859 38.672 -1.813 18734 5472 1 13 . 1 1 31 31 ILE H H 31 8.201 8.201 7.593 0.608 18734 5473 1 13 . 1 1 32 32 GLY N N 32 111.217 111.217 107.032 4.185 18734 5474 1 13 . 1 1 32 32 GLY CA C 32 41.729 41.729 44.178 -2.449 18734 5475 1 13 . 1 1 32 32 GLY H H 32 7.998 7.998 7.667 0.331 18734 5476 1 13 . 1 1 33 33 LEU N N 33 120.007 120.007 122.440 -2.433 18734 5477 1 13 . 1 1 33 33 LEU HA H 33 3.880 3.880 4.447 -0.567 18734 5478 1 13 . 1 1 33 33 LEU CA C 33 53.595 53.595 54.957 -1.362 18734 5479 1 13 . 1 1 33 33 LEU CB C 33 40.528 40.528 42.352 -1.824 18734 5480 1 13 . 1 1 33 33 LEU H H 33 7.820 7.820 8.500 -0.680 18734 5481 1 13 . 1 1 34 34 LEU N N 34 128.106 128.106 129.449 -1.343 18734 5482 1 13 . 1 1 34 34 LEU HA H 34 4.485 4.485 4.212 0.273 18734 5483 1 13 . 1 1 34 34 LEU CA C 34 51.078 51.078 54.146 -3.068 18734 5484 1 13 . 1 1 34 34 LEU CB C 34 37.447 37.447 39.795 -2.348 18734 5485 1 13 . 1 1 34 34 LEU H H 34 8.551 8.551 8.430 0.121 18734 5486 1 13 . 1 1 35 35 TYR N N 35 121.473 121.473 122.180 -0.707 18734 5487 1 13 . 1 1 35 35 TYR HA H 35 4.240 4.240 4.431 -0.191 18734 5488 1 13 . 1 1 35 35 TYR CA C 35 53.814 53.814 55.969 -2.155 18734 5489 1 13 . 1 1 35 35 TYR CB C 35 36.868 36.868 39.191 -2.323 18734 5490 1 13 . 1 1 35 35 TYR H H 35 6.363 6.363 7.900 -1.537 18734 5491 1 13 . 1 1 36 36 ASP N N 36 119.590 119.590 121.759 -2.169 18734 5492 1 13 . 1 1 36 36 ASP HA H 36 3.980 3.980 4.644 -0.664 18734 5493 1 13 . 1 1 36 36 ASP CA C 36 52.760 52.760 54.341 -1.581 18734 5494 1 13 . 1 1 36 36 ASP CB C 36 37.119 37.119 39.628 -2.509 18734 5495 1 13 . 1 1 36 36 ASP H H 36 8.573 8.573 8.611 -0.038 18734 5496 1 13 . 1 1 37 37 GLY N N 37 108.636 108.636 114.289 -5.653 18734 5497 1 13 . 1 1 37 37 GLY CA C 37 44.335 44.335 44.784 -0.449 18734 5498 1 13 . 1 1 37 37 GLY H H 37 7.903 7.903 8.095 -0.192 18734 5499 1 13 . 1 1 38 38 MET N N 38 120.339 120.339 120.768 -0.429 18734 5500 1 13 . 1 1 38 38 MET HA H 38 3.631 3.631 3.809 -0.178 18734 5501 1 13 . 1 1 38 38 MET CA C 38 56.101 56.101 58.006 -1.905 18734 5502 1 13 . 1 1 38 38 MET CB C 38 29.166 29.166 31.858 -2.692 18734 5503 1 13 . 1 1 38 38 MET H H 38 7.873 7.873 6.891 0.982 18734 5504 1 13 . 1 1 39 39 PHE N N 39 115.430 115.430 111.741 3.689 18734 5505 1 13 . 1 1 39 39 PHE HA H 39 4.908 4.908 4.789 0.119 18734 5506 1 13 . 1 1 39 39 PHE CA C 39 52.898 52.898 55.493 -2.595 18734 5507 1 13 . 1 1 39 39 PHE CB C 39 36.647 36.647 38.294 -1.647 18734 5508 1 13 . 1 1 39 39 PHE H H 39 8.504 8.504 7.783 0.721 18734 5509 1 13 . 1 1 40 40 SER N N 40 113.647 113.647 117.498 -3.851 18734 5510 1 13 . 1 1 40 40 SER HA H 40 4.238 4.238 4.527 -0.289 18734 5511 1 13 . 1 1 40 40 SER CA C 40 56.954 56.954 60.073 -3.119 18734 5512 1 13 . 1 1 40 40 SER CB C 40 60.458 60.458 61.624 -1.166 18734 5513 1 13 . 1 1 40 40 SER H H 40 7.264 7.264 7.530 -0.266 18734 5514 1 13 . 1 1 41 41 GLY N N 41 115.225 115.225 115.616 -0.391 18734 5515 1 13 . 1 1 41 41 GLY CA C 41 42.941 42.941 45.157 -2.216 18734 5516 1 13 . 1 1 41 41 GLY H H 41 9.110 9.110 8.616 0.494 18734 5517 1 13 . 1 1 42 42 CYS N N 42 120.385 120.385 124.345 -3.960 18734 5518 1 13 . 1 1 42 42 CYS HA H 42 4.761 4.761 4.942 -0.181 18734 5519 1 13 . 1 1 42 42 CYS CB C 42 23.867 23.867 25.143 -1.276 18734 5520 1 13 . 1 1 42 42 CYS H H 42 7.929 7.929 8.472 -0.543 18734 5521 1 13 . 1 1 43 43 THR N N 43 113.920 113.920 115.371 -1.451 18734 5522 1 13 . 1 1 43 43 THR HA H 43 3.863 3.863 4.172 -0.309 18734 5523 1 13 . 1 1 43 43 THR CA C 43 61.663 61.663 64.753 -3.090 18734 5524 1 13 . 1 1 43 43 THR CB C 43 66.027 66.027 68.773 -2.746 18734 5525 1 13 . 1 1 43 43 THR H H 43 7.495 7.495 8.375 -0.880 18734 5526 1 13 . 1 1 44 44 ALA N N 44 123.479 123.479 123.386 0.093 18734 5527 1 13 . 1 1 44 44 ALA HA H 44 4.477 4.477 4.556 -0.079 18734 5528 1 13 . 1 1 44 44 ALA CA C 44 48.198 48.198 50.892 -2.694 18734 5529 1 13 . 1 1 44 44 ALA CB C 44 17.096 17.096 19.354 -2.258 18734 5530 1 13 . 1 1 44 44 ALA H H 44 8.551 8.551 7.937 0.614 18734 5531 1 13 . 1 1 45 45 LEU N N 45 121.070 121.070 119.693 1.377 18734 5532 1 13 . 1 1 45 45 LEU HA H 45 3.981 3.981 4.577 -0.596 18734 5533 1 13 . 1 1 45 45 LEU CA C 45 53.838 53.838 55.026 -1.188 18734 5534 1 13 . 1 1 45 45 LEU CB C 45 40.243 40.243 42.557 -2.314 18734 5535 1 13 . 1 1 45 45 LEU H H 45 6.819 6.819 7.442 -0.623 18734 5536 1 13 . 1 1 46 46 GLU N N 46 128.627 128.627 123.031 5.596 18734 5537 1 13 . 1 1 46 46 GLU HA H 46 4.511 4.511 4.555 -0.044 18734 5538 1 13 . 1 1 46 46 GLU CA C 46 54.357 54.357 56.360 -2.003 18734 5539 1 13 . 1 1 46 46 GLU CB C 46 29.883 29.883 31.834 -1.951 18734 5540 1 13 . 1 1 46 46 GLU H H 46 9.401 9.401 8.702 0.699 18734 5541 1 13 . 1 1 47 47 LYS N N 47 116.297 116.297 118.543 -2.246 18734 5542 1 13 . 1 1 47 47 LYS HA H 47 5.128 5.128 4.780 0.348 18734 5543 1 13 . 1 1 47 47 LYS CA C 47 52.808 52.808 55.688 -2.880 18734 5544 1 13 . 1 1 47 47 LYS CB C 47 35.325 35.325 36.512 -1.187 18734 5545 1 13 . 1 1 47 47 LYS H H 47 7.171 7.171 7.555 -0.384 18734 5546 1 13 . 1 1 48 48 LEU N N 48 125.474 125.474 122.555 2.919 18734 5547 1 13 . 1 1 48 48 LEU HA H 48 4.403 4.403 5.106 -0.703 18734 5548 1 13 . 1 1 48 48 LEU CA C 48 50.489 50.489 54.565 -4.076 18734 5549 1 13 . 1 1 48 48 LEU CB C 48 41.991 41.991 46.703 -4.712 18734 5550 1 13 . 1 1 48 48 LEU H H 48 8.715 8.715 8.663 0.052 18734 5551 1 13 . 1 1 49 49 ILE N N 49 127.246 127.246 122.700 4.546 18734 5552 1 13 . 1 1 49 49 ILE HA H 49 4.145 4.145 4.894 -0.749 18734 5553 1 13 . 1 1 49 49 ILE CA C 49 58.314 58.314 59.943 -1.629 18734 5554 1 13 . 1 1 49 49 ILE CB C 49 36.125 36.125 42.130 -6.005 18734 5555 1 13 . 1 1 49 49 ILE H H 49 9.131 9.131 9.071 0.060 18734 5556 1 13 . 1 1 50 50 LEU N N 50 128.685 128.685 125.203 3.482 18734 5557 1 13 . 1 1 50 50 LEU HA H 50 4.417 4.417 5.216 -0.799 18734 5558 1 13 . 1 1 50 50 LEU CA C 50 50.414 50.414 53.793 -3.379 18734 5559 1 13 . 1 1 50 50 LEU CB C 50 36.390 36.390 44.044 -7.654 18734 5560 1 13 . 1 1 50 50 LEU H H 50 8.553 8.553 8.190 0.363 18734 5561 1 13 . 1 1 51 51 THR N N 51 109.751 109.751 113.781 -4.030 18734 5562 1 13 . 1 1 51 51 THR HA H 51 3.935 3.935 4.436 -0.501 18734 5563 1 13 . 1 1 51 51 THR CA C 51 60.194 60.194 62.177 -1.983 18734 5564 1 13 . 1 1 51 51 THR CB C 51 66.107 66.107 68.743 -2.636 18734 5565 1 13 . 1 1 51 51 THR H H 51 6.964 6.964 8.681 -1.717 18734 5566 1 13 . 1 1 52 52 GLY N N 52 108.656 108.656 109.812 -1.156 18734 5567 1 13 . 1 1 52 52 GLY CA C 52 42.432 42.432 44.019 -1.587 18734 5568 1 13 . 1 1 52 52 GLY H H 52 8.409 8.409 7.687 0.722 18734 5569 1 13 . 1 1 53 53 GLU N N 53 119.733 119.733 118.703 1.030 18734 5570 1 13 . 1 1 53 53 GLU HA H 53 4.061 4.061 4.574 -0.513 18734 5571 1 13 . 1 1 53 53 GLU CA C 53 54.296 54.296 55.956 -1.660 18734 5572 1 13 . 1 1 53 53 GLU CB C 53 27.425 27.425 30.720 -3.295 18734 5573 1 13 . 1 1 53 53 GLU H H 53 8.741 8.741 8.768 -0.027 18734 5574 1 13 . 1 1 54 54 ASP N N 54 118.231 118.231 117.725 0.506 18734 5575 1 13 . 1 1 54 54 ASP HA H 54 5.035 5.035 5.088 -0.053 18734 5576 1 13 . 1 1 54 54 ASP CA C 54 46.882 46.882 52.055 -5.173 18734 5577 1 13 . 1 1 54 54 ASP CB C 54 39.822 39.822 43.978 -4.156 18734 5578 1 13 . 1 1 54 54 ASP H H 54 8.309 8.309 8.240 0.069 18734 5579 1 13 . 1 1 55 55 PRO HA H 55 3.920 3.920 3.831 0.089 18734 5580 1 13 . 1 1 55 55 PRO CA C 55 61.140 61.140 64.227 -3.087 18734 5581 1 13 . 1 1 55 55 PRO CB C 55 30.606 30.606 31.953 -1.347 18734 5582 1 13 . 1 1 56 56 SER N N 56 108.966 108.966 115.745 -6.779 18734 5583 1 13 . 1 1 56 56 SER HA H 56 4.494 4.494 4.334 0.160 18734 5584 1 13 . 1 1 56 56 SER CA C 56 57.752 57.752 60.519 -2.767 18734 5585 1 13 . 1 1 56 56 SER CB C 56 60.574 60.574 62.508 -1.934 18734 5586 1 13 . 1 1 56 56 SER H H 56 7.998 7.998 8.834 -0.836 18734 5587 1 13 . 1 1 57 57 ALA N N 57 123.346 123.346 122.150 1.196 18734 5588 1 13 . 1 1 57 57 ALA HA H 57 4.197 4.197 4.259 -0.062 18734 5589 1 13 . 1 1 57 57 ALA CA C 57 49.452 49.452 53.233 -3.781 18734 5590 1 13 . 1 1 57 57 ALA CB C 57 17.341 17.341 19.606 -2.265 18734 5591 1 13 . 1 1 57 57 ALA H H 57 7.770 7.770 7.599 0.171 18734 5592 1 13 . 1 1 58 58 TYR N N 58 118.640 118.640 117.040 1.600 18734 5593 1 13 . 1 1 58 58 TYR HA H 58 4.844 4.844 4.741 0.103 18734 5594 1 13 . 1 1 58 58 TYR CA C 58 54.841 54.841 57.838 -2.997 18734 5595 1 13 . 1 1 58 58 TYR CB C 58 39.626 39.626 42.612 -2.986 18734 5596 1 13 . 1 1 58 58 TYR H H 58 7.878 7.878 7.638 0.240 18734 5597 1 13 . 1 1 59 59 SER N N 59 118.841 118.841 114.881 3.960 18734 5598 1 13 . 1 1 59 59 SER HA H 59 4.584 4.584 4.810 -0.226 18734 5599 1 13 . 1 1 59 59 SER CA C 59 54.332 54.332 57.815 -3.483 18734 5600 1 13 . 1 1 59 59 SER CB C 59 62.866 62.866 66.666 -3.800 18734 5601 1 13 . 1 1 59 59 SER H H 59 9.289 9.289 8.825 0.464 18734 5602 1 13 . 1 1 60 60 ALA N N 60 125.034 125.034 124.021 1.013 18734 5603 1 13 . 1 1 60 60 ALA HA H 60 4.726 4.726 5.001 -0.275 18734 5604 1 13 . 1 1 60 60 ALA CB C 60 20.233 20.233 21.639 -1.406 18734 5605 1 13 . 1 1 60 60 ALA H H 60 7.473 7.473 8.036 -0.563 18734 5606 1 13 . 1 1 61 61 GLY N N 61 109.267 109.267 107.790 1.477 18734 5607 1 13 . 1 1 61 61 GLY CA C 61 41.504 41.504 44.342 -2.838 18734 5608 1 13 . 1 1 61 61 GLY H H 61 9.368 9.368 8.597 0.771 18734 5609 1 13 . 1 1 62 62 ASP N N 62 121.898 121.898 118.451 3.447 18734 5610 1 13 . 1 1 62 62 ASP HA H 62 4.673 4.673 4.583 0.090 18734 5611 1 13 . 1 1 62 62 ASP CB C 62 38.468 38.468 41.153 -2.685 18734 5612 1 13 . 1 1 62 62 ASP H H 62 9.236 9.236 8.615 0.621 18734 5613 1 13 . 1 1 63 63 GLY N N 63 111.438 111.438 105.049 6.389 18734 5614 1 13 . 1 1 63 63 GLY CA C 63 43.099 43.099 43.991 -0.892 18734 5615 1 13 . 1 1 63 63 GLY H H 63 8.774 8.774 7.655 1.119 18734 5616 1 13 . 1 1 64 64 LEU N N 64 125.900 125.900 123.966 1.934 18734 5617 1 13 . 1 1 64 64 LEU HA H 64 4.169 4.169 4.258 -0.089 18734 5618 1 13 . 1 1 64 64 LEU CA C 64 56.103 56.103 57.102 -0.999 18734 5619 1 13 . 1 1 64 64 LEU CB C 64 40.431 40.431 42.434 -2.002 18734 5620 1 13 . 1 1 64 64 LEU H H 64 7.483 7.483 8.020 -0.537 18734 5621 1 13 . 1 1 65 65 ARG N N 65 111.696 111.696 112.110 -0.414 18734 5622 1 13 . 1 1 65 65 ARG HA H 65 4.057 4.057 4.681 -0.624 18734 5623 1 13 . 1 1 65 65 ARG CA C 65 51.787 51.787 54.227 -2.440 18734 5624 1 13 . 1 1 65 65 ARG CB C 65 26.474 26.474 29.420 -2.946 18734 5625 1 13 . 1 1 65 65 ARG H H 65 8.071 8.071 7.842 0.229 18734 5626 1 13 . 1 1 66 66 ASP N N 66 120.559 120.559 123.506 -2.947 18734 5627 1 13 . 1 1 66 66 ASP HA H 66 4.121 4.121 4.372 -0.251 18734 5628 1 13 . 1 1 66 66 ASP CA C 66 53.462 53.462 57.015 -3.553 18734 5629 1 13 . 1 1 66 66 ASP CB C 66 37.557 37.557 41.628 -4.071 18734 5630 1 13 . 1 1 66 66 ASP H H 66 7.293 7.293 7.705 -0.412 18734 5631 1 13 . 1 1 67 67 GLY N N 67 110.131 110.131 112.121 -1.990 18734 5632 1 13 . 1 1 67 67 GLY CA C 67 43.985 43.985 45.640 -1.655 18734 5633 1 13 . 1 1 67 67 GLY H H 67 8.695 8.695 8.691 0.004 18734 5634 1 13 . 1 1 68 68 ALA N N 68 123.462 123.462 121.381 2.081 18734 5635 1 13 . 1 1 68 68 ALA HA H 68 4.385 4.385 4.740 -0.355 18734 5636 1 13 . 1 1 68 68 ALA CA C 68 49.065 49.065 51.049 -1.984 18734 5637 1 13 . 1 1 68 68 ALA CB C 68 19.402 19.402 22.421 -3.019 18734 5638 1 13 . 1 1 68 68 ALA H H 68 8.058 8.058 7.854 0.204 18734 5639 1 13 . 1 1 69 69 ASP N N 69 116.343 116.343 117.202 -0.859 18734 5640 1 13 . 1 1 69 69 ASP HA H 69 4.524 4.524 4.648 -0.124 18734 5641 1 13 . 1 1 69 69 ASP CA C 69 51.240 51.240 53.993 -2.753 18734 5642 1 13 . 1 1 69 69 ASP CB C 69 39.076 39.076 42.080 -3.004 18734 5643 1 13 . 1 1 69 69 ASP H H 69 8.721 8.721 8.698 0.023 18734 5644 1 13 . 1 1 70 70 PHE N N 70 113.658 113.658 119.315 -5.657 18734 5645 1 13 . 1 1 70 70 PHE HA H 70 4.648 4.648 4.973 -0.325 18734 5646 1 13 . 1 1 70 70 PHE CA C 70 52.114 52.114 55.657 -3.543 18734 5647 1 13 . 1 1 70 70 PHE CB C 70 38.375 38.375 40.796 -2.421 18734 5648 1 13 . 1 1 70 70 PHE H H 70 5.865 5.865 7.228 -1.363 18734 5649 1 13 . 1 1 71 71 LEU N N 71 119.766 119.766 120.482 -0.716 18734 5650 1 13 . 1 1 71 71 LEU HA H 71 4.915 4.915 4.799 0.116 18734 5651 1 13 . 1 1 71 71 LEU CA C 71 50.797 50.797 53.580 -2.783 18734 5652 1 13 . 1 1 71 71 LEU CB C 71 41.482 41.482 46.291 -4.809 18734 5653 1 13 . 1 1 71 71 LEU H H 71 7.964 7.964 8.389 -0.425 18734 5654 1 13 . 1 1 72 72 ILE N N 72 123.675 123.675 121.213 2.462 18734 5655 1 13 . 1 1 72 72 ILE HA H 72 4.728 4.728 4.768 -0.040 18734 5656 1 13 . 1 1 72 72 ILE CB C 72 36.921 36.921 40.145 -3.224 18734 5657 1 13 . 1 1 72 72 ILE H H 72 9.073 9.073 9.131 -0.058 18734 5658 1 13 . 1 1 73 73 CYS N N 73 125.409 125.409 127.894 -2.485 18734 5659 1 13 . 1 1 73 73 CYS HA H 73 5.534 5.534 5.056 0.478 18734 5660 1 13 . 1 1 73 73 CYS CA C 73 54.056 54.056 58.017 -3.961 18734 5661 1 13 . 1 1 73 73 CYS CB C 73 27.753 27.753 26.405 1.348 18734 5662 1 13 . 1 1 73 73 CYS H H 73 9.060 9.060 9.156 -0.096 18734 5663 1 13 . 1 1 74 74 VAL N N 74 114.408 114.408 122.087 -7.679 18734 5664 1 13 . 1 1 74 74 VAL HA H 74 4.951 4.951 4.673 0.278 18734 5665 1 13 . 1 1 74 74 VAL CA C 74 54.229 54.229 57.728 -3.499 18734 5666 1 13 . 1 1 74 74 VAL CB C 74 29.675 29.675 33.382 -3.707 18734 5667 1 13 . 1 1 74 74 VAL H H 74 7.938 7.938 8.839 -0.901 18734 5668 1 13 . 1 1 75 75 PRO HA H 75 4.283 4.283 4.564 -0.281 18734 5669 1 13 . 1 1 75 75 PRO CA C 75 60.889 60.889 62.345 -1.456 18734 5670 1 13 . 1 1 75 75 PRO CB C 75 29.499 29.499 32.714 -3.215 18734 5671 1 13 . 1 1 76 76 GLU N N 76 126.159 126.159 122.279 3.880 18734 5672 1 13 . 1 1 76 76 GLU HA H 76 3.664 3.664 3.812 -0.148 18734 5673 1 13 . 1 1 76 76 GLU CA C 76 58.112 58.112 59.824 -1.712 18734 5674 1 13 . 1 1 76 76 GLU CB C 76 26.894 26.894 28.682 -1.788 18734 5675 1 13 . 1 1 76 76 GLU H H 76 9.130 9.130 8.862 0.268 18734 5676 1 13 . 1 1 77 77 GLU N N 77 117.145 117.145 118.751 -1.606 18734 5677 1 13 . 1 1 77 77 GLU HA H 77 4.100 4.100 4.123 -0.023 18734 5678 1 13 . 1 1 77 77 GLU CA C 77 55.734 55.734 58.400 -2.666 18734 5679 1 13 . 1 1 77 77 GLU CB C 77 26.315 26.315 29.384 -3.069 18734 5680 1 13 . 1 1 77 77 GLU H H 77 9.350 9.350 8.512 0.838 18734 5681 1 13 . 1 1 78 78 ALA N N 78 120.398 120.398 118.667 1.731 18734 5682 1 13 . 1 1 78 78 ALA HA H 78 4.699 4.699 4.470 0.229 18734 5683 1 13 . 1 1 78 78 ALA CB C 78 18.962 18.962 19.252 -0.290 18734 5684 1 13 . 1 1 78 78 ALA H H 78 8.044 8.044 7.839 0.205 18734 5685 1 13 . 1 1 79 79 LEU N N 79 122.497 122.497 121.365 1.132 18734 5686 1 13 . 1 1 79 79 LEU HA H 79 3.710 3.710 3.830 -0.120 18734 5687 1 13 . 1 1 79 79 LEU CA C 79 56.837 56.837 58.421 -1.584 18734 5688 1 13 . 1 1 79 79 LEU CB C 79 40.952 40.952 41.960 -1.008 18734 5689 1 13 . 1 1 79 79 LEU H H 79 7.331 7.331 7.392 -0.061 18734 5690 1 13 . 1 1 80 80 ASP N N 80 116.432 116.432 117.515 -1.083 18734 5691 1 13 . 1 1 80 80 ASP HA H 80 4.357 4.357 4.449 -0.092 18734 5692 1 13 . 1 1 80 80 ASP CA C 80 54.751 54.751 56.970 -2.219 18734 5693 1 13 . 1 1 80 80 ASP CB C 80 38.534 38.534 40.754 -2.220 18734 5694 1 13 . 1 1 80 80 ASP H H 80 8.305 8.305 8.465 -0.160 18734 5695 1 13 . 1 1 81 81 ARG N N 81 119.433 119.433 120.397 -0.964 18734 5696 1 13 . 1 1 81 81 ARG HA H 81 3.894 3.894 4.023 -0.129 18734 5697 1 13 . 1 1 81 81 ARG CA C 81 56.473 56.473 59.800 -3.327 18734 5698 1 13 . 1 1 81 81 ARG CB C 81 27.481 27.481 30.199 -2.718 18734 5699 1 13 . 1 1 81 81 ARG H H 81 7.638 7.638 8.347 -0.709 18734 5700 1 13 . 1 1 82 82 TYR N N 82 116.397 116.397 117.947 -1.550 18734 5701 1 13 . 1 1 82 82 TYR HA H 82 3.830 3.830 4.297 -0.467 18734 5702 1 13 . 1 1 82 82 TYR CA C 82 61.170 61.170 60.553 0.617 18734 5703 1 13 . 1 1 82 82 TYR CB C 82 37.031 37.031 37.910 -0.879 18734 5704 1 13 . 1 1 82 82 TYR H H 82 8.198 8.198 8.869 -0.671 18734 5705 1 13 . 1 1 83 83 ARG N N 83 113.114 113.114 118.150 -5.036 18734 5706 1 13 . 1 1 83 83 ARG HA H 83 3.728 3.728 4.155 -0.427 18734 5707 1 13 . 1 1 83 83 ARG CA C 83 58.115 58.115 59.113 -0.998 18734 5708 1 13 . 1 1 83 83 ARG CB C 83 28.107 28.107 30.328 -2.221 18734 5709 1 13 . 1 1 83 83 ARG H H 83 8.151 8.151 7.724 0.427 18734 5710 1 13 . 1 1 84 84 ARG N N 84 111.791 111.791 116.520 -4.729 18734 5711 1 13 . 1 1 84 84 ARG HA H 84 4.386 4.386 4.412 -0.026 18734 5712 1 13 . 1 1 84 84 ARG CA C 84 52.335 52.335 55.782 -3.447 18734 5713 1 13 . 1 1 84 84 ARG CB C 84 27.987 27.987 29.856 -1.869 18734 5714 1 13 . 1 1 84 84 ARG H H 84 7.571 7.571 7.566 0.005 18734 5715 1 13 . 1 1 85 85 ASP N N 85 123.157 123.157 121.436 1.721 18734 5716 1 13 . 1 1 85 85 ASP HA H 85 4.373 4.373 4.649 -0.276 18734 5717 1 13 . 1 1 85 85 ASP CA C 85 52.852 52.852 54.511 -1.659 18734 5718 1 13 . 1 1 85 85 ASP CB C 85 42.482 42.482 42.788 -0.305 18734 5719 1 13 . 1 1 85 85 ASP H H 85 7.200 7.200 7.434 -0.234 18734 5720 1 13 . 1 1 86 86 TYR N N 86 123.389 123.389 125.992 -2.603 18734 5721 1 13 . 1 1 86 86 TYR HA H 86 4.092 4.092 4.333 -0.241 18734 5722 1 13 . 1 1 86 86 TYR CA C 86 58.674 58.674 61.336 -2.662 18734 5723 1 13 . 1 1 86 86 TYR CB C 86 35.801 35.801 38.979 -3.178 18734 5724 1 13 . 1 1 86 86 TYR H H 86 8.440 8.440 8.976 -0.536 18734 5725 1 13 . 1 1 87 87 PHE N N 87 117.092 117.092 117.389 -0.297 18734 5726 1 13 . 1 1 87 87 PHE HA H 87 4.378 4.378 4.651 -0.273 18734 5727 1 13 . 1 1 87 87 PHE CA C 87 57.433 57.433 59.078 -1.645 18734 5728 1 13 . 1 1 87 87 PHE CB C 87 37.442 37.442 40.691 -3.249 18734 5729 1 13 . 1 1 87 87 PHE H H 87 7.931 7.931 8.579 -0.648 18734 5730 1 13 . 1 1 88 88 TRP N N 88 121.396 121.396 119.514 1.882 18734 5731 1 13 . 1 1 88 88 TRP HA H 88 3.798 3.798 4.590 -0.792 18734 5732 1 13 . 1 1 88 88 TRP CA C 88 59.544 59.544 60.003 -0.459 18734 5733 1 13 . 1 1 88 88 TRP CB C 88 26.293 26.293 29.140 -2.847 18734 5734 1 13 . 1 1 88 88 TRP H H 88 9.757 9.757 9.052 0.705 18734 5735 1 13 . 1 1 89 89 GLN N N 89 117.760 117.760 117.569 0.191 18734 5736 1 13 . 1 1 89 89 GLN HA H 89 4.393 4.393 4.031 0.362 18734 5737 1 13 . 1 1 89 89 GLN CA C 89 55.882 55.882 58.598 -2.716 18734 5738 1 13 . 1 1 89 89 GLN CB C 89 30.198 30.198 28.704 1.494 18734 5739 1 13 . 1 1 89 89 GLN H H 89 8.490 8.490 7.744 0.746 18734 5740 1 13 . 1 1 90 90 THR N N 90 118.285 118.285 115.215 3.070 18734 5741 1 13 . 1 1 90 90 THR HA H 90 3.686 3.686 3.981 -0.295 18734 5742 1 13 . 1 1 90 90 THR CA C 90 62.770 62.770 65.513 -2.743 18734 5743 1 13 . 1 1 90 90 THR CB C 90 66.664 66.664 68.578 -1.914 18734 5744 1 13 . 1 1 90 90 THR H H 90 7.932 7.932 7.738 0.194 18734 5745 1 13 . 1 1 91 91 TYR N N 91 118.448 118.448 119.154 -0.706 18734 5746 1 13 . 1 1 91 91 TYR HA H 91 4.975 4.975 4.954 0.021 18734 5747 1 13 . 1 1 91 91 TYR CA C 91 55.511 55.511 58.581 -3.070 18734 5748 1 13 . 1 1 91 91 TYR CB C 91 37.126 37.126 37.574 -0.448 18734 5749 1 13 . 1 1 91 91 TYR H H 91 8.009 8.009 8.328 -0.319 18734 5750 1 13 . 1 1 92 92 ALA N N 92 122.351 122.351 124.135 -1.784 18734 5751 1 13 . 1 1 92 92 ALA HA H 92 3.843 3.843 4.051 -0.208 18734 5752 1 13 . 1 1 92 92 ALA CA C 92 54.108 54.108 54.770 -0.662 18734 5753 1 13 . 1 1 92 92 ALA CB C 92 16.505 16.505 18.086 -1.581 18734 5754 1 13 . 1 1 92 92 ALA H H 92 7.665 7.665 7.635 0.030 18734 5755 1 13 . 1 1 93 93 ALA N N 93 117.548 117.548 120.149 -2.601 18734 5756 1 13 . 1 1 93 93 ALA HA H 93 3.702 3.702 3.803 -0.101 18734 5757 1 13 . 1 1 93 93 ALA CA C 93 51.371 51.371 53.506 -2.135 18734 5758 1 13 . 1 1 93 93 ALA CB C 93 14.292 14.292 17.772 -3.480 18734 5759 1 13 . 1 1 93 93 ALA H H 93 8.275 8.275 7.669 0.606 18734 5760 1 13 . 1 1 94 94 TRP N N 94 115.303 115.303 114.264 1.039 18734 5761 1 13 . 1 1 94 94 TRP HA H 94 4.669 4.669 4.950 -0.281 18734 5762 1 13 . 1 1 94 94 TRP CB C 94 26.912 26.912 30.427 -3.514 18734 5763 1 13 . 1 1 94 94 TRP H H 94 8.203 8.203 7.645 0.558 18734 5764 1 13 . 1 1 95 95 ILE N N 95 120.680 120.680 121.827 -1.147 18734 5765 1 13 . 1 1 95 95 ILE HA H 95 5.325 5.325 4.615 0.710 18734 5766 1 13 . 1 1 95 95 ILE CA C 95 57.930 57.930 61.019 -3.089 18734 5767 1 13 . 1 1 95 95 ILE CB C 95 36.508 36.508 37.147 -0.639 18734 5768 1 13 . 1 1 95 95 ILE H H 95 7.153 7.153 7.623 -0.470 18734 5769 1 13 . 1 1 96 96 GLN N N 96 128.223 128.223 127.797 0.426 18734 5770 1 13 . 1 1 96 96 GLN HA H 96 4.691 4.691 4.749 -0.058 18734 5771 1 13 . 1 1 96 96 GLN CB C 96 28.885 28.885 28.966 -0.081 18734 5772 1 13 . 1 1 96 96 GLN H H 96 9.189 9.189 8.872 0.317 18734 5773 1 13 . 1 1 97 97 PRO HA H 97 4.833 4.833 4.824 0.009 18734 5774 1 13 . 1 1 97 97 PRO CA C 97 59.122 59.122 62.469 -3.347 18734 5775 1 13 . 1 1 97 97 PRO CB C 97 29.515 29.515 32.819 -3.304 18734 5776 1 13 . 1 1 98 98 MET N N 98 120.815 120.815 118.775 2.040 18734 5777 1 13 . 1 1 98 98 MET HA H 98 4.116 4.116 4.490 -0.374 18734 5778 1 13 . 1 1 98 98 MET CA C 98 52.944 52.944 55.592 -2.647 18734 5779 1 13 . 1 1 98 98 MET CB C 98 30.981 30.981 33.453 -2.472 18734 5780 1 13 . 1 1 98 98 MET H H 98 8.551 8.551 8.108 0.443 18734 5781 1 13 . 1 1 99 99 GLU N N 99 124.677 124.677 120.300 4.377 18734 5782 1 13 . 1 1 99 99 GLU HA H 99 4.220 4.220 4.587 -0.367 18734 5783 1 13 . 1 1 99 99 GLU CA C 99 53.952 53.952 55.695 -1.743 18734 5784 1 13 . 1 1 99 99 GLU CB C 99 27.803 27.803 30.880 -3.077 18734 5785 1 13 . 1 1 99 99 GLU H H 99 8.532 8.532 8.333 0.199 18734 5786 1 14 . 1 1 2 2 SER HA H 2 4.373 4.373 4.617 -0.244 18734 5787 1 14 . 1 1 2 2 SER CA C 2 55.756 55.756 57.752 -1.996 18734 5788 1 14 . 1 1 2 2 SER CB C 2 61.143 61.143 64.470 -3.327 18734 5789 1 14 . 1 1 3 3 HIS HA H 3 4.613 4.613 4.386 0.227 18734 5790 1 14 . 1 1 3 3 HIS CA C 3 52.991 52.991 56.788 -3.797 18734 5791 1 14 . 1 1 3 3 HIS CB C 3 26.607 26.607 28.896 -2.289 18734 5792 1 14 . 1 1 4 4 GLU N N 4 122.124 122.124 119.563 2.561 18734 5793 1 14 . 1 1 4 4 GLU HA H 4 4.171 4.171 4.556 -0.385 18734 5794 1 14 . 1 1 4 4 GLU CA C 4 54.441 54.441 55.929 -1.488 18734 5795 1 14 . 1 1 4 4 GLU CB C 4 27.585 27.585 32.238 -4.653 18734 5796 1 14 . 1 1 4 4 GLU H H 4 8.415 8.415 8.298 0.117 18734 5797 1 14 . 1 1 5 5 GLY N N 5 110.434 110.434 111.061 -0.627 18734 5798 1 14 . 1 1 5 5 GLY CA C 5 42.610 42.610 44.880 -2.270 18734 5799 1 14 . 1 1 5 5 GLY H H 5 8.488 8.488 8.437 0.051 18734 5800 1 14 . 1 1 6 6 GLU N N 6 121.376 121.376 122.260 -0.884 18734 5801 1 14 . 1 1 6 6 GLU HA H 6 4.560 4.560 4.507 0.053 18734 5802 1 14 . 1 1 6 6 GLU CA C 6 51.629 51.629 52.397 -0.768 18734 5803 1 14 . 1 1 6 6 GLU CB C 6 26.998 26.998 30.803 -3.805 18734 5804 1 14 . 1 1 6 6 GLU H H 6 7.954 7.954 8.133 -0.179 18734 5805 1 14 . 1 1 7 7 PRO HA H 7 4.464 4.464 4.392 0.072 18734 5806 1 14 . 1 1 7 7 PRO CA C 7 60.517 60.517 62.110 -1.593 18734 5807 1 14 . 1 1 7 7 PRO CB C 7 29.486 29.486 30.575 -1.089 18734 5808 1 14 . 1 1 8 8 VAL N N 8 120.493 120.493 119.969 0.524 18734 5809 1 14 . 1 1 8 8 VAL HA H 8 4.387 4.387 4.292 0.095 18734 5810 1 14 . 1 1 8 8 VAL CA C 8 58.483 58.483 60.506 -2.023 18734 5811 1 14 . 1 1 8 8 VAL CB C 8 31.177 31.177 36.108 -4.931 18734 5812 1 14 . 1 1 8 8 VAL H H 8 8.177 8.177 7.820 0.357 18734 5813 1 14 . 1 1 9 9 VAL N N 9 124.516 124.516 125.841 -1.325 18734 5814 1 14 . 1 1 9 9 VAL HA H 9 4.024 4.024 4.371 -0.347 18734 5815 1 14 . 1 1 9 9 VAL CA C 9 60.336 60.336 63.519 -3.183 18734 5816 1 14 . 1 1 9 9 VAL CB C 9 29.995 29.995 30.937 -0.942 18734 5817 1 14 . 1 1 9 9 VAL H H 9 8.246 8.246 9.092 -0.846 18734 5818 1 14 . 1 1 10 10 GLY N N 10 114.968 114.968 115.659 -0.691 18734 5819 1 14 . 1 1 10 10 GLY CA C 10 42.318 42.318 44.750 -2.432 18734 5820 1 14 . 1 1 10 10 GLY H H 10 8.595 8.595 7.989 0.606 18734 5821 1 14 . 1 1 11 11 MET N N 11 120.532 120.532 121.520 -0.988 18734 5822 1 14 . 1 1 11 11 MET CA C 11 53.802 53.802 57.129 -3.327 18734 5823 1 14 . 1 1 11 11 MET CB C 11 30.698 30.698 32.391 -1.693 18734 5824 1 14 . 1 1 11 11 MET H H 11 8.320 8.320 9.003 -0.683 18734 5825 1 14 . 1 1 12 12 ASP N N 12 120.515 120.515 120.407 0.108 18734 5826 1 14 . 1 1 12 12 ASP HA H 12 4.637 4.637 4.906 -0.269 18734 5827 1 14 . 1 1 12 12 ASP CB C 12 38.090 38.090 41.182 -3.092 18734 5828 1 14 . 1 1 12 12 ASP H H 12 8.261 8.261 7.875 0.386 18734 5829 1 14 . 1 1 13 13 LYS N N 13 123.685 123.685 125.619 -1.934 18734 5830 1 14 . 1 1 13 13 LYS HA H 13 4.623 4.623 4.647 -0.024 18734 5831 1 14 . 1 1 13 13 LYS CA C 13 50.898 50.898 56.042 -5.144 18734 5832 1 14 . 1 1 13 13 LYS CB C 13 30.003 30.003 29.977 0.026 18734 5833 1 14 . 1 1 13 13 LYS H H 13 8.579 8.579 8.782 -0.203 18734 5834 1 14 . 1 1 14 14 SER N N 14 115.048 115.048 113.590 1.458 18734 5835 1 14 . 1 1 14 14 SER HA H 14 4.447 4.447 4.901 -0.454 18734 5836 1 14 . 1 1 14 14 SER CA C 14 56.917 56.917 58.546 -1.629 18734 5837 1 14 . 1 1 14 14 SER CB C 14 61.536 61.536 65.850 -4.314 18734 5838 1 14 . 1 1 14 14 SER H H 14 8.507 8.507 8.531 -0.024 18734 5839 1 14 . 1 1 15 15 LEU N N 15 119.294 119.294 121.082 -1.788 18734 5840 1 14 . 1 1 15 15 LEU HA H 15 3.989 3.989 4.855 -0.866 18734 5841 1 14 . 1 1 15 15 LEU CA C 15 53.219 53.219 54.809 -1.590 18734 5842 1 14 . 1 1 15 15 LEU CB C 15 39.813 39.813 40.359 -0.547 18734 5843 1 14 . 1 1 15 15 LEU H H 15 6.908 6.908 7.433 -0.525 18734 5844 1 14 . 1 1 16 16 PHE N N 16 117.103 117.103 122.548 -5.445 18734 5845 1 14 . 1 1 16 16 PHE HA H 16 4.397 4.397 4.703 -0.306 18734 5846 1 14 . 1 1 16 16 PHE CA C 16 56.719 56.719 58.928 -2.209 18734 5847 1 14 . 1 1 16 16 PHE CB C 16 37.917 37.917 41.063 -3.146 18734 5848 1 14 . 1 1 16 16 PHE H H 16 7.658 7.658 8.243 -0.585 18734 5849 1 14 . 1 1 17 17 ALA N N 17 120.694 120.694 123.193 -2.499 18734 5850 1 14 . 1 1 17 17 ALA HA H 17 3.964 3.964 4.489 -0.525 18734 5851 1 14 . 1 1 17 17 ALA CA C 17 51.840 51.840 52.868 -1.028 18734 5852 1 14 . 1 1 17 17 ALA CB C 17 15.004 15.004 17.417 -2.413 18734 5853 1 14 . 1 1 17 17 ALA H H 17 7.514 7.514 8.467 -0.953 18734 5854 1 14 . 1 1 18 18 GLY N N 18 110.007 110.007 112.068 -2.061 18734 5855 1 14 . 1 1 18 18 GLY CA C 18 43.150 43.150 45.311 -2.161 18734 5856 1 14 . 1 1 18 18 GLY H H 18 8.204 8.204 8.207 -0.003 18734 5857 1 14 . 1 1 19 19 ASN N N 19 119.323 119.323 120.714 -1.391 18734 5858 1 14 . 1 1 19 19 ASN HA H 19 4.733 4.733 5.044 -0.311 18734 5859 1 14 . 1 1 19 19 ASN CB C 19 36.020 36.020 40.628 -4.608 18734 5860 1 14 . 1 1 19 19 ASN H H 19 8.124 8.124 7.933 0.191 18734 5861 1 14 . 1 1 20 20 THR N N 20 116.844 116.844 115.291 1.553 18734 5862 1 14 . 1 1 20 20 THR HA H 20 4.243 4.243 4.466 -0.223 18734 5863 1 14 . 1 1 20 20 THR CA C 20 60.224 60.224 63.028 -2.804 18734 5864 1 14 . 1 1 20 20 THR CB C 20 66.167 66.167 69.243 -3.076 18734 5865 1 14 . 1 1 20 20 THR H H 20 8.400 8.400 8.421 -0.021 18734 5866 1 14 . 1 1 21 21 VAL N N 21 117.661 117.661 120.410 -2.749 18734 5867 1 14 . 1 1 21 21 VAL HA H 21 4.161 4.161 4.344 -0.183 18734 5868 1 14 . 1 1 21 21 VAL CA C 21 59.739 59.739 61.554 -1.815 18734 5869 1 14 . 1 1 21 21 VAL CB C 21 31.224 31.224 32.614 -1.390 18734 5870 1 14 . 1 1 21 21 VAL H H 21 8.412 8.412 7.538 0.874 18734 5871 1 14 . 1 1 22 22 ILE N N 22 120.465 120.465 122.584 -2.119 18734 5872 1 14 . 1 1 22 22 ILE HA H 22 3.873 3.873 4.301 -0.428 18734 5873 1 14 . 1 1 22 22 ILE CA C 22 59.860 59.860 60.397 -0.537 18734 5874 1 14 . 1 1 22 22 ILE CB C 22 37.052 37.052 37.127 -0.075 18734 5875 1 14 . 1 1 22 22 ILE H H 22 7.300 7.300 8.028 -0.728 18734 5876 1 14 . 1 1 23 23 ARG N N 23 122.168 122.168 126.214 -4.046 18734 5877 1 14 . 1 1 23 23 ARG HA H 23 4.940 4.940 4.296 0.644 18734 5878 1 14 . 1 1 23 23 ARG CA C 23 54.175 54.175 58.306 -4.131 18734 5879 1 14 . 1 1 23 23 ARG CB C 23 30.921 30.921 30.910 0.011 18734 5880 1 14 . 1 1 23 23 ARG H H 23 8.328 8.328 8.050 0.278 18734 5881 1 14 . 1 1 24 24 GLU N N 24 117.968 117.968 117.022 0.946 18734 5882 1 14 . 1 1 24 24 GLU HA H 24 5.100 5.100 4.661 0.439 18734 5883 1 14 . 1 1 24 24 GLU CA C 24 51.948 51.948 55.365 -3.417 18734 5884 1 14 . 1 1 24 24 GLU CB C 24 30.737 30.737 32.286 -1.549 18734 5885 1 14 . 1 1 24 24 GLU H H 24 7.474 7.474 7.744 -0.270 18734 5886 1 14 . 1 1 25 25 ILE N N 25 121.135 121.135 125.907 -4.772 18734 5887 1 14 . 1 1 25 25 ILE HA H 25 4.205 4.205 4.390 -0.185 18734 5888 1 14 . 1 1 25 25 ILE CA C 25 57.149 57.149 59.232 -2.083 18734 5889 1 14 . 1 1 25 25 ILE CB C 25 39.882 39.882 40.728 -0.846 18734 5890 1 14 . 1 1 25 25 ILE H H 25 7.591 7.591 8.372 -0.781 18734 5891 1 14 . 1 1 26 26 THR N N 26 122.935 122.935 122.599 0.336 18734 5892 1 14 . 1 1 26 26 THR HA H 26 4.999 4.999 4.806 0.193 18734 5893 1 14 . 1 1 26 26 THR CA C 26 59.185 59.185 61.271 -2.086 18734 5894 1 14 . 1 1 26 26 THR CB C 26 67.259 67.259 70.293 -3.034 18734 5895 1 14 . 1 1 26 26 THR H H 26 8.243 8.243 8.574 -0.331 18734 5896 1 14 . 1 1 27 27 VAL N N 27 124.220 124.220 125.342 -1.122 18734 5897 1 14 . 1 1 27 27 VAL HA H 27 4.421 4.421 4.481 -0.060 18734 5898 1 14 . 1 1 27 27 VAL CA C 27 58.144 58.144 61.114 -2.970 18734 5899 1 14 . 1 1 27 27 VAL CB C 27 30.727 30.727 34.226 -3.499 18734 5900 1 14 . 1 1 27 27 VAL H H 27 9.216 9.216 8.515 0.701 18734 5901 1 14 . 1 1 28 28 GLN N N 28 129.280 129.280 126.824 2.456 18734 5902 1 14 . 1 1 28 28 GLN HA H 28 4.702 4.702 4.691 0.011 18734 5903 1 14 . 1 1 28 28 GLN CB C 28 25.480 25.480 27.967 -2.487 18734 5904 1 14 . 1 1 28 28 GLN H H 28 8.782 8.782 8.686 0.096 18734 5905 1 14 . 1 1 29 29 PRO HA H 29 3.457 3.457 3.303 0.154 18734 5906 1 14 . 1 1 29 29 PRO CA C 29 60.712 60.712 62.107 -1.395 18734 5907 1 14 . 1 1 29 29 PRO CB C 29 30.122 30.122 32.190 -2.068 18734 5908 1 14 . 1 1 30 30 ASN N N 30 113.396 113.396 115.026 -1.630 18734 5909 1 14 . 1 1 30 30 ASN HA H 30 4.329 4.329 4.235 0.094 18734 5910 1 14 . 1 1 30 30 ASN CA C 30 51.999 51.999 54.743 -2.744 18734 5911 1 14 . 1 1 30 30 ASN CB C 30 34.627 34.627 37.115 -2.488 18734 5912 1 14 . 1 1 30 30 ASN H H 30 8.199 8.199 8.476 -0.277 18734 5913 1 14 . 1 1 31 31 ILE N N 31 115.907 115.907 117.810 -1.903 18734 5914 1 14 . 1 1 31 31 ILE HA H 31 4.395 4.395 4.390 0.005 18734 5915 1 14 . 1 1 31 31 ILE CA C 31 57.434 57.434 59.956 -2.522 18734 5916 1 14 . 1 1 31 31 ILE CB C 31 36.859 36.859 38.462 -1.603 18734 5917 1 14 . 1 1 31 31 ILE H H 31 8.201 8.201 8.037 0.164 18734 5918 1 14 . 1 1 32 32 GLY N N 32 111.217 111.217 105.978 5.239 18734 5919 1 14 . 1 1 32 32 GLY CA C 32 41.729 41.729 44.281 -2.552 18734 5920 1 14 . 1 1 32 32 GLY H H 32 7.998 7.998 7.539 0.459 18734 5921 1 14 . 1 1 33 33 LEU N N 33 120.007 120.007 121.052 -1.045 18734 5922 1 14 . 1 1 33 33 LEU HA H 33 3.880 3.880 4.523 -0.643 18734 5923 1 14 . 1 1 33 33 LEU CA C 33 53.595 53.595 54.481 -0.886 18734 5924 1 14 . 1 1 33 33 LEU CB C 33 40.528 40.528 42.787 -2.259 18734 5925 1 14 . 1 1 33 33 LEU H H 33 7.820 7.820 8.463 -0.643 18734 5926 1 14 . 1 1 34 34 LEU N N 34 128.106 128.106 130.101 -1.995 18734 5927 1 14 . 1 1 34 34 LEU HA H 34 4.485 4.485 4.141 0.344 18734 5928 1 14 . 1 1 34 34 LEU CA C 34 51.078 51.078 53.924 -2.846 18734 5929 1 14 . 1 1 34 34 LEU CB C 34 37.447 37.447 40.122 -2.675 18734 5930 1 14 . 1 1 34 34 LEU H H 34 8.551 8.551 8.729 -0.178 18734 5931 1 14 . 1 1 35 35 TYR N N 35 121.473 121.473 120.963 0.510 18734 5932 1 14 . 1 1 35 35 TYR HA H 35 4.240 4.240 4.426 -0.186 18734 5933 1 14 . 1 1 35 35 TYR CA C 35 53.814 53.814 55.538 -1.724 18734 5934 1 14 . 1 1 35 35 TYR CB C 35 36.868 36.868 38.699 -1.831 18734 5935 1 14 . 1 1 35 35 TYR H H 35 6.363 6.363 7.611 -1.248 18734 5936 1 14 . 1 1 36 36 ASP N N 36 119.590 119.590 119.725 -0.135 18734 5937 1 14 . 1 1 36 36 ASP HA H 36 3.980 3.980 4.595 -0.615 18734 5938 1 14 . 1 1 36 36 ASP CA C 36 52.760 52.760 54.295 -1.535 18734 5939 1 14 . 1 1 36 36 ASP CB C 36 37.119 37.119 40.493 -3.374 18734 5940 1 14 . 1 1 36 36 ASP H H 36 8.573 8.573 8.443 0.130 18734 5941 1 14 . 1 1 37 37 GLY N N 37 108.636 108.636 113.237 -4.601 18734 5942 1 14 . 1 1 37 37 GLY CA C 37 44.335 44.335 45.282 -0.947 18734 5943 1 14 . 1 1 37 37 GLY H H 37 7.903 7.903 8.922 -1.019 18734 5944 1 14 . 1 1 38 38 MET N N 38 120.339 120.339 119.145 1.194 18734 5945 1 14 . 1 1 38 38 MET HA H 38 3.631 3.631 3.571 0.060 18734 5946 1 14 . 1 1 38 38 MET CA C 38 56.101 56.101 58.367 -2.266 18734 5947 1 14 . 1 1 38 38 MET CB C 38 29.166 29.166 31.774 -2.608 18734 5948 1 14 . 1 1 38 38 MET H H 38 7.873 7.873 7.248 0.625 18734 5949 1 14 . 1 1 39 39 PHE N N 39 115.430 115.430 111.767 3.663 18734 5950 1 14 . 1 1 39 39 PHE HA H 39 4.908 4.908 4.895 0.013 18734 5951 1 14 . 1 1 39 39 PHE CA C 39 52.898 52.898 55.206 -2.308 18734 5952 1 14 . 1 1 39 39 PHE CB C 39 36.647 36.647 38.155 -1.508 18734 5953 1 14 . 1 1 39 39 PHE H H 39 8.504 8.504 7.312 1.192 18734 5954 1 14 . 1 1 40 40 SER N N 40 113.647 113.647 116.780 -3.133 18734 5955 1 14 . 1 1 40 40 SER HA H 40 4.238 4.238 4.323 -0.085 18734 5956 1 14 . 1 1 40 40 SER CA C 40 56.954 56.954 60.702 -3.748 18734 5957 1 14 . 1 1 40 40 SER CB C 40 60.458 60.458 63.408 -2.950 18734 5958 1 14 . 1 1 40 40 SER H H 40 7.264 7.264 7.426 -0.162 18734 5959 1 14 . 1 1 41 41 GLY N N 41 115.225 115.225 114.467 0.758 18734 5960 1 14 . 1 1 41 41 GLY CA C 41 42.941 42.941 45.354 -2.413 18734 5961 1 14 . 1 1 41 41 GLY H H 41 9.110 9.110 8.410 0.700 18734 5962 1 14 . 1 1 42 42 CYS N N 42 120.385 120.385 121.909 -1.524 18734 5963 1 14 . 1 1 42 42 CYS HA H 42 4.761 4.761 4.496 0.265 18734 5964 1 14 . 1 1 42 42 CYS CB C 42 23.867 23.867 25.282 -1.415 18734 5965 1 14 . 1 1 42 42 CYS H H 42 7.929 7.929 7.938 -0.009 18734 5966 1 14 . 1 1 43 43 THR N N 43 113.920 113.920 116.259 -2.339 18734 5967 1 14 . 1 1 43 43 THR HA H 43 3.863 3.863 4.257 -0.394 18734 5968 1 14 . 1 1 43 43 THR CA C 43 61.663 61.663 63.294 -1.631 18734 5969 1 14 . 1 1 43 43 THR CB C 43 66.027 66.027 68.994 -2.967 18734 5970 1 14 . 1 1 43 43 THR H H 43 7.495 7.495 8.168 -0.673 18734 5971 1 14 . 1 1 44 44 ALA N N 44 123.479 123.479 124.321 -0.842 18734 5972 1 14 . 1 1 44 44 ALA HA H 44 4.477 4.477 4.532 -0.055 18734 5973 1 14 . 1 1 44 44 ALA CA C 44 48.198 48.198 51.083 -2.885 18734 5974 1 14 . 1 1 44 44 ALA CB C 44 17.096 17.096 19.318 -2.222 18734 5975 1 14 . 1 1 44 44 ALA H H 44 8.551 8.551 7.746 0.805 18734 5976 1 14 . 1 1 45 45 LEU N N 45 121.070 121.070 122.458 -1.388 18734 5977 1 14 . 1 1 45 45 LEU HA H 45 3.981 3.981 4.919 -0.938 18734 5978 1 14 . 1 1 45 45 LEU CA C 45 53.838 53.838 54.857 -1.019 18734 5979 1 14 . 1 1 45 45 LEU CB C 45 40.243 40.243 44.226 -3.983 18734 5980 1 14 . 1 1 45 45 LEU H H 45 6.819 6.819 7.788 -0.969 18734 5981 1 14 . 1 1 46 46 GLU N N 46 128.627 128.627 124.865 3.762 18734 5982 1 14 . 1 1 46 46 GLU HA H 46 4.511 4.511 4.750 -0.239 18734 5983 1 14 . 1 1 46 46 GLU CA C 46 54.357 54.357 55.737 -1.381 18734 5984 1 14 . 1 1 46 46 GLU CB C 46 29.883 29.883 31.075 -1.192 18734 5985 1 14 . 1 1 46 46 GLU H H 46 9.401 9.401 8.179 1.222 18734 5986 1 14 . 1 1 47 47 LYS N N 47 116.297 116.297 118.644 -2.347 18734 5987 1 14 . 1 1 47 47 LYS HA H 47 5.128 5.128 4.672 0.456 18734 5988 1 14 . 1 1 47 47 LYS CA C 47 52.808 52.808 55.218 -2.410 18734 5989 1 14 . 1 1 47 47 LYS CB C 47 35.325 35.325 36.834 -1.509 18734 5990 1 14 . 1 1 47 47 LYS H H 47 7.171 7.171 7.421 -0.250 18734 5991 1 14 . 1 1 48 48 LEU N N 48 125.474 125.474 122.527 2.947 18734 5992 1 14 . 1 1 48 48 LEU HA H 48 4.403 4.403 5.084 -0.681 18734 5993 1 14 . 1 1 48 48 LEU CA C 48 50.489 50.489 52.941 -2.452 18734 5994 1 14 . 1 1 48 48 LEU CB C 48 41.991 41.991 46.348 -4.357 18734 5995 1 14 . 1 1 48 48 LEU H H 48 8.715 8.715 8.456 0.259 18734 5996 1 14 . 1 1 49 49 ILE N N 49 127.246 127.246 121.503 5.743 18734 5997 1 14 . 1 1 49 49 ILE HA H 49 4.145 4.145 4.799 -0.654 18734 5998 1 14 . 1 1 49 49 ILE CA C 49 58.314 58.314 60.193 -1.879 18734 5999 1 14 . 1 1 49 49 ILE CB C 49 36.125 36.125 42.285 -6.160 18734 6000 1 14 . 1 1 49 49 ILE H H 49 9.131 9.131 8.503 0.628 18734 6001 1 14 . 1 1 50 50 LEU N N 50 128.685 128.685 124.385 4.300 18734 6002 1 14 . 1 1 50 50 LEU HA H 50 4.417 4.417 5.120 -0.703 18734 6003 1 14 . 1 1 50 50 LEU CA C 50 50.414 50.414 53.675 -3.261 18734 6004 1 14 . 1 1 50 50 LEU CB C 50 36.390 36.390 43.826 -7.436 18734 6005 1 14 . 1 1 50 50 LEU H H 50 8.553 8.553 8.624 -0.071 18734 6006 1 14 . 1 1 51 51 THR N N 51 109.751 109.751 120.483 -10.732 18734 6007 1 14 . 1 1 51 51 THR HA H 51 3.935 3.935 4.524 -0.589 18734 6008 1 14 . 1 1 51 51 THR CA C 51 60.194 60.194 60.723 -0.529 18734 6009 1 14 . 1 1 51 51 THR CB C 51 66.107 66.107 67.592 -1.485 18734 6010 1 14 . 1 1 51 51 THR H H 51 6.964 6.964 8.342 -1.378 18734 6011 1 14 . 1 1 52 52 GLY N N 52 108.656 108.656 109.396 -0.740 18734 6012 1 14 . 1 1 52 52 GLY CA C 52 42.432 42.432 44.641 -2.209 18734 6013 1 14 . 1 1 52 52 GLY H H 52 8.409 8.409 7.497 0.912 18734 6014 1 14 . 1 1 53 53 GLU N N 53 119.733 119.733 117.906 1.827 18734 6015 1 14 . 1 1 53 53 GLU HA H 53 4.061 4.061 4.519 -0.458 18734 6016 1 14 . 1 1 53 53 GLU CA C 53 54.296 54.296 56.199 -1.903 18734 6017 1 14 . 1 1 53 53 GLU CB C 53 27.425 27.425 31.540 -4.114 18734 6018 1 14 . 1 1 53 53 GLU H H 53 8.741 8.741 8.471 0.270 18734 6019 1 14 . 1 1 54 54 ASP N N 54 118.231 118.231 118.733 -0.502 18734 6020 1 14 . 1 1 54 54 ASP HA H 54 5.035 5.035 4.938 0.097 18734 6021 1 14 . 1 1 54 54 ASP CA C 54 46.882 46.882 51.181 -4.300 18734 6022 1 14 . 1 1 54 54 ASP CB C 54 39.822 39.822 43.103 -3.281 18734 6023 1 14 . 1 1 54 54 ASP H H 54 8.309 8.309 7.707 0.602 18734 6024 1 14 . 1 1 55 55 PRO HA H 55 3.920 3.920 4.288 -0.368 18734 6025 1 14 . 1 1 55 55 PRO CA C 55 61.140 61.140 64.424 -3.284 18734 6026 1 14 . 1 1 55 55 PRO CB C 55 30.606 30.606 32.470 -1.864 18734 6027 1 14 . 1 1 56 56 SER N N 56 108.966 108.966 114.892 -5.926 18734 6028 1 14 . 1 1 56 56 SER HA H 56 4.494 4.494 4.490 0.004 18734 6029 1 14 . 1 1 56 56 SER CA C 56 57.752 57.752 60.780 -3.028 18734 6030 1 14 . 1 1 56 56 SER CB C 56 60.574 60.574 63.068 -2.494 18734 6031 1 14 . 1 1 56 56 SER H H 56 7.998 7.998 8.555 -0.557 18734 6032 1 14 . 1 1 57 57 ALA N N 57 123.346 123.346 122.035 1.311 18734 6033 1 14 . 1 1 57 57 ALA HA H 57 4.197 4.197 4.355 -0.158 18734 6034 1 14 . 1 1 57 57 ALA CA C 57 49.452 49.452 52.789 -3.337 18734 6035 1 14 . 1 1 57 57 ALA CB C 57 17.341 17.341 19.046 -1.705 18734 6036 1 14 . 1 1 57 57 ALA H H 57 7.770 7.770 7.410 0.360 18734 6037 1 14 . 1 1 58 58 TYR N N 58 118.640 118.640 115.918 2.722 18734 6038 1 14 . 1 1 58 58 TYR HA H 58 4.844 4.844 4.750 0.094 18734 6039 1 14 . 1 1 58 58 TYR CA C 58 54.841 54.841 57.939 -3.098 18734 6040 1 14 . 1 1 58 58 TYR CB C 58 39.626 39.626 42.748 -3.122 18734 6041 1 14 . 1 1 58 58 TYR H H 58 7.878 7.878 7.420 0.458 18734 6042 1 14 . 1 1 59 59 SER N N 59 118.841 118.841 114.528 4.313 18734 6043 1 14 . 1 1 59 59 SER HA H 59 4.584 4.584 5.055 -0.471 18734 6044 1 14 . 1 1 59 59 SER CA C 59 54.332 54.332 57.348 -3.016 18734 6045 1 14 . 1 1 59 59 SER CB C 59 62.866 62.866 66.604 -3.738 18734 6046 1 14 . 1 1 59 59 SER H H 59 9.289 9.289 8.843 0.446 18734 6047 1 14 . 1 1 60 60 ALA N N 60 125.034 125.034 122.292 2.742 18734 6048 1 14 . 1 1 60 60 ALA HA H 60 4.726 4.726 5.009 -0.283 18734 6049 1 14 . 1 1 60 60 ALA CB C 60 20.233 20.233 21.633 -1.400 18734 6050 1 14 . 1 1 60 60 ALA H H 60 7.473 7.473 8.420 -0.947 18734 6051 1 14 . 1 1 61 61 GLY N N 61 109.267 109.267 107.480 1.787 18734 6052 1 14 . 1 1 61 61 GLY CA C 61 41.504 41.504 44.298 -2.794 18734 6053 1 14 . 1 1 61 61 GLY H H 61 9.368 9.368 8.210 1.158 18734 6054 1 14 . 1 1 62 62 ASP N N 62 121.898 121.898 120.879 1.019 18734 6055 1 14 . 1 1 62 62 ASP HA H 62 4.673 4.673 4.525 0.148 18734 6056 1 14 . 1 1 62 62 ASP CB C 62 38.468 38.468 41.158 -2.691 18734 6057 1 14 . 1 1 62 62 ASP H H 62 9.236 9.236 8.629 0.607 18734 6058 1 14 . 1 1 63 63 GLY N N 63 111.438 111.438 104.823 6.615 18734 6059 1 14 . 1 1 63 63 GLY CA C 63 43.099 43.099 44.443 -1.344 18734 6060 1 14 . 1 1 63 63 GLY H H 63 8.774 8.774 7.652 1.122 18734 6061 1 14 . 1 1 64 64 LEU N N 64 125.900 125.900 125.108 0.792 18734 6062 1 14 . 1 1 64 64 LEU HA H 64 4.169 4.169 3.975 0.194 18734 6063 1 14 . 1 1 64 64 LEU CA C 64 56.103 56.103 57.091 -0.988 18734 6064 1 14 . 1 1 64 64 LEU CB C 64 40.431 40.431 42.260 -1.829 18734 6065 1 14 . 1 1 64 64 LEU H H 64 7.483 7.483 8.015 -0.532 18734 6066 1 14 . 1 1 65 65 ARG N N 65 111.696 111.696 113.270 -1.574 18734 6067 1 14 . 1 1 65 65 ARG HA H 65 4.057 4.057 4.459 -0.402 18734 6068 1 14 . 1 1 65 65 ARG CA C 65 51.787 51.787 54.416 -2.629 18734 6069 1 14 . 1 1 65 65 ARG CB C 65 26.474 26.474 28.555 -2.081 18734 6070 1 14 . 1 1 65 65 ARG H H 65 8.071 8.071 7.848 0.223 18734 6071 1 14 . 1 1 66 66 ASP N N 66 120.559 120.559 121.371 -0.812 18734 6072 1 14 . 1 1 66 66 ASP HA H 66 4.121 4.121 4.346 -0.225 18734 6073 1 14 . 1 1 66 66 ASP CA C 66 53.462 53.462 55.956 -2.494 18734 6074 1 14 . 1 1 66 66 ASP CB C 66 37.557 37.557 41.568 -4.011 18734 6075 1 14 . 1 1 66 66 ASP H H 66 7.293 7.293 7.732 -0.439 18734 6076 1 14 . 1 1 67 67 GLY N N 67 110.131 110.131 112.201 -2.070 18734 6077 1 14 . 1 1 67 67 GLY CA C 67 43.985 43.985 45.806 -1.821 18734 6078 1 14 . 1 1 67 67 GLY H H 67 8.695 8.695 8.624 0.071 18734 6079 1 14 . 1 1 68 68 ALA N N 68 123.462 123.462 122.538 0.924 18734 6080 1 14 . 1 1 68 68 ALA HA H 68 4.385 4.385 4.694 -0.309 18734 6081 1 14 . 1 1 68 68 ALA CA C 68 49.065 49.065 51.275 -2.210 18734 6082 1 14 . 1 1 68 68 ALA CB C 68 19.402 19.402 22.168 -2.766 18734 6083 1 14 . 1 1 68 68 ALA H H 68 8.058 8.058 7.702 0.356 18734 6084 1 14 . 1 1 69 69 ASP N N 69 116.343 116.343 117.158 -0.815 18734 6085 1 14 . 1 1 69 69 ASP HA H 69 4.524 4.524 4.532 -0.008 18734 6086 1 14 . 1 1 69 69 ASP CA C 69 51.240 51.240 54.162 -2.922 18734 6087 1 14 . 1 1 69 69 ASP CB C 69 39.076 39.076 42.956 -3.880 18734 6088 1 14 . 1 1 69 69 ASP H H 69 8.721 8.721 8.683 0.038 18734 6089 1 14 . 1 1 70 70 PHE N N 70 113.658 113.658 119.998 -6.340 18734 6090 1 14 . 1 1 70 70 PHE HA H 70 4.648 4.648 4.950 -0.302 18734 6091 1 14 . 1 1 70 70 PHE CA C 70 52.114 52.114 55.594 -3.480 18734 6092 1 14 . 1 1 70 70 PHE CB C 70 38.375 38.375 40.617 -2.243 18734 6093 1 14 . 1 1 70 70 PHE H H 70 5.865 5.865 7.175 -1.310 18734 6094 1 14 . 1 1 71 71 LEU N N 71 119.766 119.766 120.871 -1.105 18734 6095 1 14 . 1 1 71 71 LEU HA H 71 4.915 4.915 4.812 0.103 18734 6096 1 14 . 1 1 71 71 LEU CA C 71 50.797 50.797 53.937 -3.140 18734 6097 1 14 . 1 1 71 71 LEU CB C 71 41.482 41.482 44.350 -2.868 18734 6098 1 14 . 1 1 71 71 LEU H H 71 7.964 7.964 8.507 -0.542 18734 6099 1 14 . 1 1 72 72 ILE N N 72 123.675 123.675 120.590 3.085 18734 6100 1 14 . 1 1 72 72 ILE HA H 72 4.728 4.728 4.321 0.407 18734 6101 1 14 . 1 1 72 72 ILE CB C 72 36.921 36.921 38.080 -1.159 18734 6102 1 14 . 1 1 72 72 ILE H H 72 9.073 9.073 8.730 0.343 18734 6103 1 14 . 1 1 73 73 CYS N N 73 125.409 125.409 127.777 -2.368 18734 6104 1 14 . 1 1 73 73 CYS HA H 73 5.534 5.534 4.983 0.551 18734 6105 1 14 . 1 1 73 73 CYS CA C 73 54.056 54.056 58.983 -4.928 18734 6106 1 14 . 1 1 73 73 CYS CB C 73 27.753 27.753 27.392 0.361 18734 6107 1 14 . 1 1 73 73 CYS H H 73 9.060 9.060 8.850 0.210 18734 6108 1 14 . 1 1 74 74 VAL N N 74 114.408 114.408 117.393 -2.985 18734 6109 1 14 . 1 1 74 74 VAL HA H 74 4.951 4.951 4.895 0.056 18734 6110 1 14 . 1 1 74 74 VAL CA C 74 54.229 54.229 57.693 -3.464 18734 6111 1 14 . 1 1 74 74 VAL CB C 74 29.675 29.675 34.928 -5.253 18734 6112 1 14 . 1 1 74 74 VAL H H 74 7.938 7.938 8.955 -1.017 18734 6113 1 14 . 1 1 75 75 PRO HA H 75 4.283 4.283 4.575 -0.292 18734 6114 1 14 . 1 1 75 75 PRO CA C 75 60.889 60.889 62.244 -1.355 18734 6115 1 14 . 1 1 75 75 PRO CB C 75 29.499 29.499 32.547 -3.047 18734 6116 1 14 . 1 1 76 76 GLU N N 76 126.159 126.159 120.335 5.824 18734 6117 1 14 . 1 1 76 76 GLU HA H 76 3.664 3.664 3.956 -0.292 18734 6118 1 14 . 1 1 76 76 GLU CA C 76 58.112 58.112 59.371 -1.259 18734 6119 1 14 . 1 1 76 76 GLU CB C 76 26.894 26.894 28.993 -2.099 18734 6120 1 14 . 1 1 76 76 GLU H H 76 9.130 9.130 8.837 0.293 18734 6121 1 14 . 1 1 77 77 GLU N N 77 117.145 117.145 119.002 -1.857 18734 6122 1 14 . 1 1 77 77 GLU HA H 77 4.100 4.100 4.155 -0.055 18734 6123 1 14 . 1 1 77 77 GLU CA C 77 55.734 55.734 58.474 -2.740 18734 6124 1 14 . 1 1 77 77 GLU CB C 77 26.315 26.315 29.342 -3.027 18734 6125 1 14 . 1 1 77 77 GLU H H 77 9.350 9.350 8.573 0.777 18734 6126 1 14 . 1 1 78 78 ALA N N 78 120.398 120.398 120.796 -0.398 18734 6127 1 14 . 1 1 78 78 ALA HA H 78 4.699 4.699 4.279 0.420 18734 6128 1 14 . 1 1 78 78 ALA CB C 78 18.962 18.962 18.900 0.062 18734 6129 1 14 . 1 1 78 78 ALA H H 78 8.044 8.044 7.629 0.415 18734 6130 1 14 . 1 1 79 79 LEU N N 79 122.497 122.497 120.777 1.720 18734 6131 1 14 . 1 1 79 79 LEU HA H 79 3.710 3.710 4.208 -0.498 18734 6132 1 14 . 1 1 79 79 LEU CA C 79 56.837 56.837 58.946 -2.109 18734 6133 1 14 . 1 1 79 79 LEU CB C 79 40.952 40.952 42.074 -1.122 18734 6134 1 14 . 1 1 79 79 LEU H H 79 7.331 7.331 7.644 -0.313 18734 6135 1 14 . 1 1 80 80 ASP N N 80 116.432 116.432 116.965 -0.533 18734 6136 1 14 . 1 1 80 80 ASP HA H 80 4.357 4.357 4.254 0.103 18734 6137 1 14 . 1 1 80 80 ASP CA C 80 54.751 54.751 56.907 -2.156 18734 6138 1 14 . 1 1 80 80 ASP CB C 80 38.534 38.534 40.681 -2.147 18734 6139 1 14 . 1 1 80 80 ASP H H 80 8.305 8.305 8.263 0.042 18734 6140 1 14 . 1 1 81 81 ARG N N 81 119.433 119.433 119.987 -0.554 18734 6141 1 14 . 1 1 81 81 ARG HA H 81 3.894 3.894 4.008 -0.114 18734 6142 1 14 . 1 1 81 81 ARG CA C 81 56.473 56.473 59.532 -3.059 18734 6143 1 14 . 1 1 81 81 ARG CB C 81 27.481 27.481 30.345 -2.864 18734 6144 1 14 . 1 1 81 81 ARG H H 81 7.638 7.638 7.772 -0.134 18734 6145 1 14 . 1 1 82 82 TYR N N 82 116.397 116.397 116.513 -0.116 18734 6146 1 14 . 1 1 82 82 TYR HA H 82 3.830 3.830 4.300 -0.470 18734 6147 1 14 . 1 1 82 82 TYR CA C 82 61.170 61.170 59.855 1.315 18734 6148 1 14 . 1 1 82 82 TYR CB C 82 37.031 37.031 37.598 -0.567 18734 6149 1 14 . 1 1 82 82 TYR H H 82 8.198 8.198 8.287 -0.089 18734 6150 1 14 . 1 1 83 83 ARG N N 83 113.114 113.114 119.663 -6.549 18734 6151 1 14 . 1 1 83 83 ARG HA H 83 3.728 3.728 3.724 0.004 18734 6152 1 14 . 1 1 83 83 ARG CA C 83 58.115 58.115 59.327 -1.212 18734 6153 1 14 . 1 1 83 83 ARG CB C 83 28.107 28.107 29.680 -1.573 18734 6154 1 14 . 1 1 83 83 ARG H H 83 8.151 8.151 6.582 1.569 18734 6155 1 14 . 1 1 84 84 ARG N N 84 111.791 111.791 116.673 -4.882 18734 6156 1 14 . 1 1 84 84 ARG HA H 84 4.386 4.386 4.176 0.210 18734 6157 1 14 . 1 1 84 84 ARG CA C 84 52.335 52.335 56.545 -4.210 18734 6158 1 14 . 1 1 84 84 ARG CB C 84 27.987 27.987 30.049 -2.062 18734 6159 1 14 . 1 1 84 84 ARG H H 84 7.571 7.571 7.412 0.159 18734 6160 1 14 . 1 1 85 85 ASP N N 85 123.157 123.157 117.810 5.347 18734 6161 1 14 . 1 1 85 85 ASP HA H 85 4.373 4.373 4.665 -0.292 18734 6162 1 14 . 1 1 85 85 ASP CA C 85 52.852 52.852 54.040 -1.188 18734 6163 1 14 . 1 1 85 85 ASP CB C 85 42.482 42.482 42.285 0.196 18734 6164 1 14 . 1 1 85 85 ASP H H 85 7.200 7.200 7.662 -0.462 18734 6165 1 14 . 1 1 86 86 TYR N N 86 123.389 123.389 121.283 2.106 18734 6166 1 14 . 1 1 86 86 TYR HA H 86 4.092 4.092 4.573 -0.481 18734 6167 1 14 . 1 1 86 86 TYR CA C 86 58.674 58.674 60.550 -1.876 18734 6168 1 14 . 1 1 86 86 TYR CB C 86 35.801 35.801 39.818 -4.016 18734 6169 1 14 . 1 1 86 86 TYR H H 86 8.440 8.440 8.854 -0.414 18734 6170 1 14 . 1 1 87 87 PHE N N 87 117.092 117.092 119.401 -2.309 18734 6171 1 14 . 1 1 87 87 PHE HA H 87 4.378 4.378 4.707 -0.329 18734 6172 1 14 . 1 1 87 87 PHE CA C 87 57.433 57.433 56.142 1.291 18734 6173 1 14 . 1 1 87 87 PHE CB C 87 37.442 37.442 40.235 -2.793 18734 6174 1 14 . 1 1 87 87 PHE H H 87 7.931 7.931 8.675 -0.744 18734 6175 1 14 . 1 1 88 88 TRP N N 88 121.396 121.396 120.183 1.213 18734 6176 1 14 . 1 1 88 88 TRP HA H 88 3.798 3.798 4.198 -0.400 18734 6177 1 14 . 1 1 88 88 TRP CA C 88 59.544 59.544 60.454 -0.910 18734 6178 1 14 . 1 1 88 88 TRP CB C 88 26.293 26.293 28.889 -2.596 18734 6179 1 14 . 1 1 88 88 TRP H H 88 9.757 9.757 8.952 0.805 18734 6180 1 14 . 1 1 89 89 GLN N N 89 117.760 117.760 117.614 0.146 18734 6181 1 14 . 1 1 89 89 GLN HA H 89 4.393 4.393 4.003 0.390 18734 6182 1 14 . 1 1 89 89 GLN CA C 89 55.882 55.882 58.390 -2.508 18734 6183 1 14 . 1 1 89 89 GLN CB C 89 30.198 30.198 27.573 2.625 18734 6184 1 14 . 1 1 89 89 GLN H H 89 8.490 8.490 8.143 0.347 18734 6185 1 14 . 1 1 90 90 THR N N 90 118.285 118.285 116.468 1.817 18734 6186 1 14 . 1 1 90 90 THR HA H 90 3.686 3.686 4.065 -0.379 18734 6187 1 14 . 1 1 90 90 THR CA C 90 62.770 62.770 65.087 -2.317 18734 6188 1 14 . 1 1 90 90 THR CB C 90 66.664 66.664 68.779 -2.115 18734 6189 1 14 . 1 1 90 90 THR H H 90 7.932 7.932 7.805 0.127 18734 6190 1 14 . 1 1 91 91 TYR N N 91 118.448 118.448 119.839 -1.391 18734 6191 1 14 . 1 1 91 91 TYR HA H 91 4.975 4.975 4.787 0.188 18734 6192 1 14 . 1 1 91 91 TYR CA C 91 55.511 55.511 59.809 -4.298 18734 6193 1 14 . 1 1 91 91 TYR CB C 91 37.126 37.126 37.543 -0.417 18734 6194 1 14 . 1 1 91 91 TYR H H 91 8.009 8.009 8.135 -0.126 18734 6195 1 14 . 1 1 92 92 ALA N N 92 122.351 122.351 122.518 -0.167 18734 6196 1 14 . 1 1 92 92 ALA HA H 92 3.843 3.843 4.301 -0.458 18734 6197 1 14 . 1 1 92 92 ALA CA C 92 54.108 54.108 54.742 -0.634 18734 6198 1 14 . 1 1 92 92 ALA CB C 92 16.505 16.505 17.789 -1.284 18734 6199 1 14 . 1 1 92 92 ALA H H 92 7.665 7.665 7.924 -0.259 18734 6200 1 14 . 1 1 93 93 ALA N N 93 117.548 117.548 120.423 -2.875 18734 6201 1 14 . 1 1 93 93 ALA HA H 93 3.702 3.702 3.862 -0.160 18734 6202 1 14 . 1 1 93 93 ALA CA C 93 51.371 51.371 53.688 -2.317 18734 6203 1 14 . 1 1 93 93 ALA CB C 93 14.292 14.292 17.994 -3.703 18734 6204 1 14 . 1 1 93 93 ALA H H 93 8.275 8.275 7.547 0.728 18734 6205 1 14 . 1 1 94 94 TRP N N 94 115.303 115.303 113.428 1.875 18734 6206 1 14 . 1 1 94 94 TRP HA H 94 4.669 4.669 4.921 -0.252 18734 6207 1 14 . 1 1 94 94 TRP CB C 94 26.912 26.912 30.643 -3.731 18734 6208 1 14 . 1 1 94 94 TRP H H 94 8.203 8.203 7.891 0.312 18734 6209 1 14 . 1 1 95 95 ILE N N 95 120.680 120.680 121.446 -0.766 18734 6210 1 14 . 1 1 95 95 ILE HA H 95 5.325 5.325 4.399 0.926 18734 6211 1 14 . 1 1 95 95 ILE CA C 95 57.930 57.930 61.632 -3.702 18734 6212 1 14 . 1 1 95 95 ILE CB C 95 36.508 36.508 38.035 -1.527 18734 6213 1 14 . 1 1 95 95 ILE H H 95 7.153 7.153 7.361 -0.208 18734 6214 1 14 . 1 1 96 96 GLN N N 96 128.223 128.223 124.907 3.316 18734 6215 1 14 . 1 1 96 96 GLN HA H 96 4.691 4.691 4.968 -0.277 18734 6216 1 14 . 1 1 96 96 GLN CB C 96 28.885 28.885 29.604 -0.719 18734 6217 1 14 . 1 1 96 96 GLN H H 96 9.189 9.189 8.950 0.239 18734 6218 1 14 . 1 1 97 97 PRO HA H 97 4.833 4.833 4.887 -0.054 18734 6219 1 14 . 1 1 97 97 PRO CA C 97 59.122 59.122 62.584 -3.462 18734 6220 1 14 . 1 1 97 97 PRO CB C 97 29.515 29.515 32.653 -3.138 18734 6221 1 14 . 1 1 98 98 MET N N 98 120.815 120.815 118.641 2.174 18734 6222 1 14 . 1 1 98 98 MET HA H 98 4.116 4.116 4.510 -0.394 18734 6223 1 14 . 1 1 98 98 MET CA C 98 52.944 52.944 55.115 -2.171 18734 6224 1 14 . 1 1 98 98 MET CB C 98 30.981 30.981 33.360 -2.379 18734 6225 1 14 . 1 1 98 98 MET H H 98 8.551 8.551 8.332 0.219 18734 6226 1 14 . 1 1 99 99 GLU N N 99 124.677 124.677 120.096 4.581 18734 6227 1 14 . 1 1 99 99 GLU HA H 99 4.220 4.220 4.640 -0.420 18734 6228 1 14 . 1 1 99 99 GLU CA C 99 53.952 53.952 55.783 -1.831 18734 6229 1 14 . 1 1 99 99 GLU CB C 99 27.803 27.803 31.860 -4.056 18734 6230 1 14 . 1 1 99 99 GLU H H 99 8.532 8.532 8.754 -0.222 18734 6231 1 15 . 1 1 2 2 SER HA H 2 4.373 4.373 4.628 -0.255 18734 6232 1 15 . 1 1 2 2 SER CA C 2 55.756 55.756 57.792 -2.036 18734 6233 1 15 . 1 1 2 2 SER CB C 2 61.143 61.143 64.085 -2.942 18734 6234 1 15 . 1 1 3 3 HIS HA H 3 4.613 4.613 4.867 -0.254 18734 6235 1 15 . 1 1 3 3 HIS CA C 3 52.991 52.991 55.385 -2.394 18734 6236 1 15 . 1 1 3 3 HIS CB C 3 26.607 26.607 30.801 -4.194 18734 6237 1 15 . 1 1 4 4 GLU N N 4 122.124 122.124 120.582 1.542 18734 6238 1 15 . 1 1 4 4 GLU HA H 4 4.171 4.171 4.407 -0.236 18734 6239 1 15 . 1 1 4 4 GLU CA C 4 54.441 54.441 56.479 -2.038 18734 6240 1 15 . 1 1 4 4 GLU CB C 4 27.585 27.585 29.656 -2.071 18734 6241 1 15 . 1 1 4 4 GLU H H 4 8.415 8.415 8.693 -0.278 18734 6242 1 15 . 1 1 5 5 GLY N N 5 110.434 110.434 113.094 -2.660 18734 6243 1 15 . 1 1 5 5 GLY CA C 5 42.610 42.610 44.693 -2.083 18734 6244 1 15 . 1 1 5 5 GLY H H 5 8.488 8.488 8.326 0.162 18734 6245 1 15 . 1 1 6 6 GLU N N 6 121.376 121.376 120.433 0.943 18734 6246 1 15 . 1 1 6 6 GLU HA H 6 4.560 4.560 4.407 0.153 18734 6247 1 15 . 1 1 6 6 GLU CA C 6 51.629 51.629 54.432 -2.804 18734 6248 1 15 . 1 1 6 6 GLU CB C 6 26.998 26.998 28.886 -1.887 18734 6249 1 15 . 1 1 6 6 GLU H H 6 7.954 7.954 8.084 -0.130 18734 6250 1 15 . 1 1 7 7 PRO HA H 7 4.464 4.464 4.664 -0.200 18734 6251 1 15 . 1 1 7 7 PRO CA C 7 60.517 60.517 62.493 -1.976 18734 6252 1 15 . 1 1 7 7 PRO CB C 7 29.486 29.486 30.629 -1.143 18734 6253 1 15 . 1 1 8 8 VAL N N 8 120.493 120.493 120.124 0.369 18734 6254 1 15 . 1 1 8 8 VAL HA H 8 4.387 4.387 4.152 0.235 18734 6255 1 15 . 1 1 8 8 VAL CA C 8 58.483 58.483 60.822 -2.339 18734 6256 1 15 . 1 1 8 8 VAL CB C 8 31.177 31.177 34.848 -3.671 18734 6257 1 15 . 1 1 8 8 VAL H H 8 8.177 8.177 7.568 0.609 18734 6258 1 15 . 1 1 9 9 VAL N N 9 124.516 124.516 123.965 0.551 18734 6259 1 15 . 1 1 9 9 VAL HA H 9 4.024 4.024 4.221 -0.197 18734 6260 1 15 . 1 1 9 9 VAL CA C 9 60.336 60.336 62.879 -2.543 18734 6261 1 15 . 1 1 9 9 VAL CB C 9 29.995 29.995 32.718 -2.723 18734 6262 1 15 . 1 1 9 9 VAL H H 9 8.246 8.246 8.461 -0.215 18734 6263 1 15 . 1 1 10 10 GLY N N 10 114.968 114.968 113.388 1.580 18734 6264 1 15 . 1 1 10 10 GLY CA C 10 42.318 42.318 46.240 -3.922 18734 6265 1 15 . 1 1 10 10 GLY H H 10 8.595 8.595 8.759 -0.164 18734 6266 1 15 . 1 1 11 11 MET N N 11 120.532 120.532 121.019 -0.487 18734 6267 1 15 . 1 1 11 11 MET CA C 11 53.802 53.802 55.346 -1.544 18734 6268 1 15 . 1 1 11 11 MET CB C 11 30.698 30.698 33.988 -3.290 18734 6269 1 15 . 1 1 11 11 MET H H 11 8.320 8.320 8.282 0.038 18734 6270 1 15 . 1 1 12 12 ASP N N 12 120.515 120.515 120.635 -0.120 18734 6271 1 15 . 1 1 12 12 ASP HA H 12 4.637 4.637 4.925 -0.288 18734 6272 1 15 . 1 1 12 12 ASP CB C 12 38.090 38.090 44.053 -5.963 18734 6273 1 15 . 1 1 12 12 ASP H H 12 8.261 8.261 7.937 0.324 18734 6274 1 15 . 1 1 13 13 LYS N N 13 123.685 123.685 119.474 4.211 18734 6275 1 15 . 1 1 13 13 LYS HA H 13 4.623 4.623 4.872 -0.249 18734 6276 1 15 . 1 1 13 13 LYS CA C 13 50.898 50.898 55.964 -5.066 18734 6277 1 15 . 1 1 13 13 LYS CB C 13 30.003 30.003 33.289 -3.286 18734 6278 1 15 . 1 1 13 13 LYS H H 13 8.579 8.579 8.681 -0.102 18734 6279 1 15 . 1 1 14 14 SER N N 14 115.048 115.048 114.156 0.892 18734 6280 1 15 . 1 1 14 14 SER HA H 14 4.447 4.447 4.609 -0.162 18734 6281 1 15 . 1 1 14 14 SER CA C 14 56.917 56.917 58.700 -1.783 18734 6282 1 15 . 1 1 14 14 SER CB C 14 61.536 61.536 63.500 -1.964 18734 6283 1 15 . 1 1 14 14 SER H H 14 8.507 8.507 8.203 0.304 18734 6284 1 15 . 1 1 15 15 LEU N N 15 119.294 119.294 122.947 -3.653 18734 6285 1 15 . 1 1 15 15 LEU HA H 15 3.989 3.989 4.218 -0.229 18734 6286 1 15 . 1 1 15 15 LEU CA C 15 53.219 53.219 55.000 -1.781 18734 6287 1 15 . 1 1 15 15 LEU CB C 15 39.813 39.813 38.779 1.034 18734 6288 1 15 . 1 1 15 15 LEU H H 15 6.908 6.908 8.451 -1.543 18734 6289 1 15 . 1 1 16 16 PHE N N 16 117.103 117.103 119.420 -2.317 18734 6290 1 15 . 1 1 16 16 PHE HA H 16 4.397 4.397 4.621 -0.224 18734 6291 1 15 . 1 1 16 16 PHE CA C 16 56.719 56.719 58.713 -1.994 18734 6292 1 15 . 1 1 16 16 PHE CB C 16 37.917 37.917 39.873 -1.956 18734 6293 1 15 . 1 1 16 16 PHE H H 16 7.658 7.658 8.099 -0.441 18734 6294 1 15 . 1 1 17 17 ALA N N 17 120.694 120.694 121.322 -0.628 18734 6295 1 15 . 1 1 17 17 ALA HA H 17 3.964 3.964 4.417 -0.453 18734 6296 1 15 . 1 1 17 17 ALA CA C 17 51.840 51.840 52.282 -0.442 18734 6297 1 15 . 1 1 17 17 ALA CB C 17 15.004 15.004 16.806 -1.802 18734 6298 1 15 . 1 1 17 17 ALA H H 17 7.514 7.514 7.750 -0.236 18734 6299 1 15 . 1 1 18 18 GLY N N 18 110.007 110.007 108.527 1.480 18734 6300 1 15 . 1 1 18 18 GLY CA C 18 43.150 43.150 45.489 -2.339 18734 6301 1 15 . 1 1 18 18 GLY H H 18 8.204 8.204 8.195 0.009 18734 6302 1 15 . 1 1 19 19 ASN N N 19 119.323 119.323 119.127 0.196 18734 6303 1 15 . 1 1 19 19 ASN HA H 19 4.733 4.733 5.017 -0.284 18734 6304 1 15 . 1 1 19 19 ASN CB C 19 36.020 36.020 40.855 -4.835 18734 6305 1 15 . 1 1 19 19 ASN H H 19 8.124 8.124 7.668 0.456 18734 6306 1 15 . 1 1 20 20 THR N N 20 116.844 116.844 114.293 2.551 18734 6307 1 15 . 1 1 20 20 THR HA H 20 4.243 4.243 4.584 -0.341 18734 6308 1 15 . 1 1 20 20 THR CA C 20 60.224 60.224 62.360 -2.136 18734 6309 1 15 . 1 1 20 20 THR CB C 20 66.167 66.167 69.715 -3.548 18734 6310 1 15 . 1 1 20 20 THR H H 20 8.400 8.400 8.515 -0.115 18734 6311 1 15 . 1 1 21 21 VAL N N 21 117.661 117.661 120.026 -2.365 18734 6312 1 15 . 1 1 21 21 VAL HA H 21 4.161 4.161 4.332 -0.171 18734 6313 1 15 . 1 1 21 21 VAL CA C 21 59.739 59.739 61.603 -1.864 18734 6314 1 15 . 1 1 21 21 VAL CB C 21 31.224 31.224 32.801 -1.577 18734 6315 1 15 . 1 1 21 21 VAL H H 21 8.412 8.412 7.461 0.951 18734 6316 1 15 . 1 1 22 22 ILE N N 22 120.465 120.465 120.693 -0.228 18734 6317 1 15 . 1 1 22 22 ILE HA H 22 3.873 3.873 4.452 -0.579 18734 6318 1 15 . 1 1 22 22 ILE CA C 22 59.860 59.860 60.009 -0.149 18734 6319 1 15 . 1 1 22 22 ILE CB C 22 37.052 37.052 38.152 -1.100 18734 6320 1 15 . 1 1 22 22 ILE H H 22 7.300 7.300 8.082 -0.782 18734 6321 1 15 . 1 1 23 23 ARG N N 23 122.168 122.168 126.791 -4.623 18734 6322 1 15 . 1 1 23 23 ARG HA H 23 4.940 4.940 4.691 0.249 18734 6323 1 15 . 1 1 23 23 ARG CA C 23 54.175 54.175 56.841 -2.666 18734 6324 1 15 . 1 1 23 23 ARG CB C 23 30.921 30.921 31.100 -0.179 18734 6325 1 15 . 1 1 23 23 ARG H H 23 8.328 8.328 8.814 -0.486 18734 6326 1 15 . 1 1 24 24 GLU N N 24 117.968 117.968 117.827 0.141 18734 6327 1 15 . 1 1 24 24 GLU HA H 24 5.100 5.100 4.982 0.118 18734 6328 1 15 . 1 1 24 24 GLU CA C 24 51.948 51.948 55.085 -3.137 18734 6329 1 15 . 1 1 24 24 GLU CB C 24 30.737 30.737 33.425 -2.688 18734 6330 1 15 . 1 1 24 24 GLU H H 24 7.474 7.474 7.752 -0.278 18734 6331 1 15 . 1 1 25 25 ILE N N 25 121.135 121.135 123.762 -2.627 18734 6332 1 15 . 1 1 25 25 ILE HA H 25 4.205 4.205 4.488 -0.283 18734 6333 1 15 . 1 1 25 25 ILE CA C 25 57.149 57.149 60.508 -3.359 18734 6334 1 15 . 1 1 25 25 ILE CB C 25 39.882 39.882 40.486 -0.604 18734 6335 1 15 . 1 1 25 25 ILE H H 25 7.591 7.591 8.176 -0.585 18734 6336 1 15 . 1 1 26 26 THR N N 26 122.935 122.935 124.661 -1.726 18734 6337 1 15 . 1 1 26 26 THR HA H 26 4.999 4.999 4.632 0.367 18734 6338 1 15 . 1 1 26 26 THR CA C 26 59.185 59.185 62.354 -3.169 18734 6339 1 15 . 1 1 26 26 THR CB C 26 67.259 67.259 68.573 -1.314 18734 6340 1 15 . 1 1 26 26 THR H H 26 8.243 8.243 8.599 -0.356 18734 6341 1 15 . 1 1 27 27 VAL N N 27 124.220 124.220 127.727 -3.507 18734 6342 1 15 . 1 1 27 27 VAL HA H 27 4.421 4.421 4.314 0.107 18734 6343 1 15 . 1 1 27 27 VAL CA C 27 58.144 58.144 61.301 -3.157 18734 6344 1 15 . 1 1 27 27 VAL CB C 27 30.727 30.727 32.633 -1.906 18734 6345 1 15 . 1 1 27 27 VAL H H 27 9.216 9.216 9.150 0.066 18734 6346 1 15 . 1 1 28 28 GLN N N 28 129.280 129.280 127.468 1.812 18734 6347 1 15 . 1 1 28 28 GLN HA H 28 4.702 4.702 4.794 -0.092 18734 6348 1 15 . 1 1 28 28 GLN CB C 28 25.480 25.480 28.254 -2.774 18734 6349 1 15 . 1 1 28 28 GLN H H 28 8.782 8.782 8.721 0.061 18734 6350 1 15 . 1 1 29 29 PRO HA H 29 3.457 3.457 3.259 0.198 18734 6351 1 15 . 1 1 29 29 PRO CA C 29 60.712 60.712 62.106 -1.394 18734 6352 1 15 . 1 1 29 29 PRO CB C 29 30.122 30.122 32.485 -2.363 18734 6353 1 15 . 1 1 30 30 ASN N N 30 113.396 113.396 116.405 -3.009 18734 6354 1 15 . 1 1 30 30 ASN HA H 30 4.329 4.329 4.197 0.132 18734 6355 1 15 . 1 1 30 30 ASN CA C 30 51.999 51.999 54.578 -2.579 18734 6356 1 15 . 1 1 30 30 ASN CB C 30 34.627 34.627 36.972 -2.345 18734 6357 1 15 . 1 1 30 30 ASN H H 30 8.199 8.199 8.408 -0.209 18734 6358 1 15 . 1 1 31 31 ILE N N 31 115.907 115.907 116.371 -0.464 18734 6359 1 15 . 1 1 31 31 ILE HA H 31 4.395 4.395 4.257 0.138 18734 6360 1 15 . 1 1 31 31 ILE CA C 31 57.434 57.434 60.767 -3.333 18734 6361 1 15 . 1 1 31 31 ILE CB C 31 36.859 36.859 39.134 -2.275 18734 6362 1 15 . 1 1 31 31 ILE H H 31 8.201 8.201 8.115 0.086 18734 6363 1 15 . 1 1 32 32 GLY N N 32 111.217 111.217 106.184 5.033 18734 6364 1 15 . 1 1 32 32 GLY CA C 32 41.729 41.729 44.418 -2.689 18734 6365 1 15 . 1 1 32 32 GLY H H 32 7.998 7.998 7.557 0.441 18734 6366 1 15 . 1 1 33 33 LEU N N 33 120.007 120.007 120.093 -0.086 18734 6367 1 15 . 1 1 33 33 LEU HA H 33 3.880 3.880 4.315 -0.435 18734 6368 1 15 . 1 1 33 33 LEU CA C 33 53.595 53.595 55.633 -2.038 18734 6369 1 15 . 1 1 33 33 LEU CB C 33 40.528 40.528 42.855 -2.327 18734 6370 1 15 . 1 1 33 33 LEU H H 33 7.820 7.820 8.236 -0.416 18734 6371 1 15 . 1 1 34 34 LEU N N 34 128.106 128.106 123.994 4.112 18734 6372 1 15 . 1 1 34 34 LEU HA H 34 4.485 4.485 4.471 0.014 18734 6373 1 15 . 1 1 34 34 LEU CA C 34 51.078 51.078 53.106 -2.028 18734 6374 1 15 . 1 1 34 34 LEU CB C 34 37.447 37.447 41.362 -3.915 18734 6375 1 15 . 1 1 34 34 LEU H H 34 8.551 8.551 8.357 0.194 18734 6376 1 15 . 1 1 35 35 TYR N N 35 121.473 121.473 119.237 2.236 18734 6377 1 15 . 1 1 35 35 TYR HA H 35 4.240 4.240 4.412 -0.172 18734 6378 1 15 . 1 1 35 35 TYR CA C 35 53.814 53.814 56.080 -2.266 18734 6379 1 15 . 1 1 35 35 TYR CB C 35 36.868 36.868 38.574 -1.706 18734 6380 1 15 . 1 1 35 35 TYR H H 35 6.363 6.363 7.732 -1.369 18734 6381 1 15 . 1 1 36 36 ASP N N 36 119.590 119.590 118.851 0.739 18734 6382 1 15 . 1 1 36 36 ASP HA H 36 3.980 3.980 4.406 -0.426 18734 6383 1 15 . 1 1 36 36 ASP CA C 36 52.760 52.760 54.739 -1.979 18734 6384 1 15 . 1 1 36 36 ASP CB C 36 37.119 37.119 40.500 -3.381 18734 6385 1 15 . 1 1 36 36 ASP H H 36 8.573 8.573 8.636 -0.063 18734 6386 1 15 . 1 1 37 37 GLY N N 37 108.636 108.636 112.046 -3.410 18734 6387 1 15 . 1 1 37 37 GLY CA C 37 44.335 44.335 45.330 -0.995 18734 6388 1 15 . 1 1 37 37 GLY H H 37 7.903 7.903 8.946 -1.043 18734 6389 1 15 . 1 1 38 38 MET N N 38 120.339 120.339 119.084 1.255 18734 6390 1 15 . 1 1 38 38 MET HA H 38 3.631 3.631 3.762 -0.131 18734 6391 1 15 . 1 1 38 38 MET CA C 38 56.101 56.101 57.461 -1.360 18734 6392 1 15 . 1 1 38 38 MET CB C 38 29.166 29.166 31.645 -2.479 18734 6393 1 15 . 1 1 38 38 MET H H 38 7.873 7.873 7.337 0.536 18734 6394 1 15 . 1 1 39 39 PHE N N 39 115.430 115.430 111.906 3.524 18734 6395 1 15 . 1 1 39 39 PHE HA H 39 4.908 4.908 4.880 0.028 18734 6396 1 15 . 1 1 39 39 PHE CA C 39 52.898 52.898 55.712 -2.814 18734 6397 1 15 . 1 1 39 39 PHE CB C 39 36.647 36.647 39.671 -3.024 18734 6398 1 15 . 1 1 39 39 PHE H H 39 8.504 8.504 7.394 1.110 18734 6399 1 15 . 1 1 40 40 SER N N 40 113.647 113.647 117.068 -3.421 18734 6400 1 15 . 1 1 40 40 SER HA H 40 4.238 4.238 4.433 -0.195 18734 6401 1 15 . 1 1 40 40 SER CA C 40 56.954 56.954 59.398 -2.444 18734 6402 1 15 . 1 1 40 40 SER CB C 40 60.458 60.458 62.042 -1.584 18734 6403 1 15 . 1 1 40 40 SER H H 40 7.264 7.264 7.890 -0.626 18734 6404 1 15 . 1 1 41 41 GLY N N 41 115.225 115.225 113.145 2.080 18734 6405 1 15 . 1 1 41 41 GLY CA C 41 42.941 42.941 44.919 -1.978 18734 6406 1 15 . 1 1 41 41 GLY H H 41 9.110 9.110 8.108 1.002 18734 6407 1 15 . 1 1 42 42 CYS N N 42 120.385 120.385 124.114 -3.729 18734 6408 1 15 . 1 1 42 42 CYS HA H 42 4.761 4.761 4.969 -0.208 18734 6409 1 15 . 1 1 42 42 CYS CB C 42 23.867 23.867 25.110 -1.243 18734 6410 1 15 . 1 1 42 42 CYS H H 42 7.929 7.929 8.326 -0.397 18734 6411 1 15 . 1 1 43 43 THR N N 43 113.920 113.920 112.465 1.455 18734 6412 1 15 . 1 1 43 43 THR HA H 43 3.863 3.863 4.202 -0.339 18734 6413 1 15 . 1 1 43 43 THR CA C 43 61.663 61.663 62.671 -1.008 18734 6414 1 15 . 1 1 43 43 THR CB C 43 66.027 66.027 68.021 -1.994 18734 6415 1 15 . 1 1 43 43 THR H H 43 7.495 7.495 8.300 -0.805 18734 6416 1 15 . 1 1 44 44 ALA N N 44 123.479 123.479 122.427 1.052 18734 6417 1 15 . 1 1 44 44 ALA HA H 44 4.477 4.477 4.594 -0.117 18734 6418 1 15 . 1 1 44 44 ALA CA C 44 48.198 48.198 51.396 -3.198 18734 6419 1 15 . 1 1 44 44 ALA CB C 44 17.096 17.096 20.881 -3.785 18734 6420 1 15 . 1 1 44 44 ALA H H 44 8.551 8.551 7.924 0.627 18734 6421 1 15 . 1 1 45 45 LEU N N 45 121.070 121.070 120.755 0.315 18734 6422 1 15 . 1 1 45 45 LEU HA H 45 3.981 3.981 4.474 -0.493 18734 6423 1 15 . 1 1 45 45 LEU CA C 45 53.838 53.838 55.534 -1.696 18734 6424 1 15 . 1 1 45 45 LEU CB C 45 40.243 40.243 42.372 -2.129 18734 6425 1 15 . 1 1 45 45 LEU H H 45 6.819 6.819 8.135 -1.316 18734 6426 1 15 . 1 1 46 46 GLU N N 46 128.627 128.627 124.037 4.590 18734 6427 1 15 . 1 1 46 46 GLU HA H 46 4.511 4.511 4.664 -0.153 18734 6428 1 15 . 1 1 46 46 GLU CA C 46 54.357 54.357 56.338 -1.981 18734 6429 1 15 . 1 1 46 46 GLU CB C 46 29.883 29.883 32.351 -2.468 18734 6430 1 15 . 1 1 46 46 GLU H H 46 9.401 9.401 8.382 1.019 18734 6431 1 15 . 1 1 47 47 LYS N N 47 116.297 116.297 119.361 -3.064 18734 6432 1 15 . 1 1 47 47 LYS HA H 47 5.128 5.128 4.993 0.135 18734 6433 1 15 . 1 1 47 47 LYS CA C 47 52.808 52.808 55.435 -2.627 18734 6434 1 15 . 1 1 47 47 LYS CB C 47 35.325 35.325 37.341 -2.016 18734 6435 1 15 . 1 1 47 47 LYS H H 47 7.171 7.171 8.285 -1.114 18734 6436 1 15 . 1 1 48 48 LEU N N 48 125.474 125.474 124.394 1.080 18734 6437 1 15 . 1 1 48 48 LEU HA H 48 4.403 4.403 4.813 -0.410 18734 6438 1 15 . 1 1 48 48 LEU CA C 48 50.489 50.489 54.636 -4.147 18734 6439 1 15 . 1 1 48 48 LEU CB C 48 41.991 41.991 44.981 -2.990 18734 6440 1 15 . 1 1 48 48 LEU H H 48 8.715 8.715 8.809 -0.094 18734 6441 1 15 . 1 1 49 49 ILE N N 49 127.246 127.246 126.681 0.565 18734 6442 1 15 . 1 1 49 49 ILE HA H 49 4.145 4.145 4.774 -0.629 18734 6443 1 15 . 1 1 49 49 ILE CA C 49 58.314 58.314 60.577 -2.263 18734 6444 1 15 . 1 1 49 49 ILE CB C 49 36.125 36.125 39.403 -3.278 18734 6445 1 15 . 1 1 49 49 ILE H H 49 9.131 9.131 8.753 0.378 18734 6446 1 15 . 1 1 50 50 LEU N N 50 128.685 128.685 124.044 4.641 18734 6447 1 15 . 1 1 50 50 LEU HA H 50 4.417 4.417 5.430 -1.013 18734 6448 1 15 . 1 1 50 50 LEU CA C 50 50.414 50.414 53.484 -3.070 18734 6449 1 15 . 1 1 50 50 LEU CB C 50 36.390 36.390 44.770 -8.380 18734 6450 1 15 . 1 1 50 50 LEU H H 50 8.553 8.553 8.132 0.421 18734 6451 1 15 . 1 1 51 51 THR N N 51 109.751 109.751 112.012 -2.261 18734 6452 1 15 . 1 1 51 51 THR HA H 51 3.935 3.935 4.639 -0.704 18734 6453 1 15 . 1 1 51 51 THR CA C 51 60.194 60.194 60.945 -0.751 18734 6454 1 15 . 1 1 51 51 THR CB C 51 66.107 66.107 69.054 -2.947 18734 6455 1 15 . 1 1 51 51 THR H H 51 6.964 6.964 8.531 -1.567 18734 6456 1 15 . 1 1 52 52 GLY N N 52 108.656 108.656 109.845 -1.189 18734 6457 1 15 . 1 1 52 52 GLY CA C 52 42.432 42.432 44.071 -1.639 18734 6458 1 15 . 1 1 52 52 GLY H H 52 8.409 8.409 7.896 0.513 18734 6459 1 15 . 1 1 53 53 GLU N N 53 119.733 119.733 120.615 -0.882 18734 6460 1 15 . 1 1 53 53 GLU HA H 53 4.061 4.061 4.570 -0.509 18734 6461 1 15 . 1 1 53 53 GLU CA C 53 54.296 54.296 55.957 -1.661 18734 6462 1 15 . 1 1 53 53 GLU CB C 53 27.425 27.425 30.400 -2.975 18734 6463 1 15 . 1 1 53 53 GLU H H 53 8.741 8.741 8.896 -0.155 18734 6464 1 15 . 1 1 54 54 ASP N N 54 118.231 118.231 117.784 0.447 18734 6465 1 15 . 1 1 54 54 ASP HA H 54 5.035 5.035 4.988 0.047 18734 6466 1 15 . 1 1 54 54 ASP CA C 54 46.882 46.882 51.356 -4.474 18734 6467 1 15 . 1 1 54 54 ASP CB C 54 39.822 39.822 43.772 -3.950 18734 6468 1 15 . 1 1 54 54 ASP H H 54 8.309 8.309 8.050 0.259 18734 6469 1 15 . 1 1 55 55 PRO HA H 55 3.920 3.920 3.749 0.171 18734 6470 1 15 . 1 1 55 55 PRO CA C 55 61.140 61.140 63.782 -2.642 18734 6471 1 15 . 1 1 55 55 PRO CB C 55 30.606 30.606 31.645 -1.039 18734 6472 1 15 . 1 1 56 56 SER N N 56 108.966 108.966 116.101 -7.135 18734 6473 1 15 . 1 1 56 56 SER HA H 56 4.494 4.494 4.184 0.310 18734 6474 1 15 . 1 1 56 56 SER CA C 56 57.752 57.752 60.433 -2.681 18734 6475 1 15 . 1 1 56 56 SER CB C 56 60.574 60.574 63.072 -2.498 18734 6476 1 15 . 1 1 56 56 SER H H 56 7.998 7.998 8.398 -0.400 18734 6477 1 15 . 1 1 57 57 ALA N N 57 123.346 123.346 122.673 0.673 18734 6478 1 15 . 1 1 57 57 ALA HA H 57 4.197 4.197 4.399 -0.202 18734 6479 1 15 . 1 1 57 57 ALA CA C 57 49.452 49.452 52.518 -3.066 18734 6480 1 15 . 1 1 57 57 ALA CB C 57 17.341 17.341 19.027 -1.686 18734 6481 1 15 . 1 1 57 57 ALA H H 57 7.770 7.770 7.487 0.283 18734 6482 1 15 . 1 1 58 58 TYR N N 58 118.640 118.640 116.536 2.104 18734 6483 1 15 . 1 1 58 58 TYR HA H 58 4.844 4.844 4.788 0.056 18734 6484 1 15 . 1 1 58 58 TYR CA C 58 54.841 54.841 57.873 -3.032 18734 6485 1 15 . 1 1 58 58 TYR CB C 58 39.626 39.626 41.811 -2.185 18734 6486 1 15 . 1 1 58 58 TYR H H 58 7.878 7.878 7.417 0.461 18734 6487 1 15 . 1 1 59 59 SER N N 59 118.841 118.841 114.952 3.889 18734 6488 1 15 . 1 1 59 59 SER HA H 59 4.584 4.584 4.613 -0.029 18734 6489 1 15 . 1 1 59 59 SER CA C 59 54.332 54.332 57.007 -2.675 18734 6490 1 15 . 1 1 59 59 SER CB C 59 62.866 62.866 64.797 -1.931 18734 6491 1 15 . 1 1 59 59 SER H H 59 9.289 9.289 8.430 0.859 18734 6492 1 15 . 1 1 60 60 ALA N N 60 125.034 125.034 122.308 2.726 18734 6493 1 15 . 1 1 60 60 ALA HA H 60 4.726 4.726 5.016 -0.290 18734 6494 1 15 . 1 1 60 60 ALA CB C 60 20.233 20.233 21.183 -0.950 18734 6495 1 15 . 1 1 60 60 ALA H H 60 7.473 7.473 7.935 -0.462 18734 6496 1 15 . 1 1 61 61 GLY N N 61 109.267 109.267 107.793 1.474 18734 6497 1 15 . 1 1 61 61 GLY CA C 61 41.504 41.504 45.278 -3.774 18734 6498 1 15 . 1 1 61 61 GLY H H 61 9.368 9.368 8.396 0.972 18734 6499 1 15 . 1 1 62 62 ASP N N 62 121.898 121.898 121.606 0.292 18734 6500 1 15 . 1 1 62 62 ASP HA H 62 4.673 4.673 4.853 -0.180 18734 6501 1 15 . 1 1 62 62 ASP CB C 62 38.468 38.468 41.924 -3.456 18734 6502 1 15 . 1 1 62 62 ASP H H 62 9.236 9.236 8.384 0.852 18734 6503 1 15 . 1 1 63 63 GLY N N 63 111.438 111.438 106.415 5.023 18734 6504 1 15 . 1 1 63 63 GLY CA C 63 43.099 43.099 44.631 -1.532 18734 6505 1 15 . 1 1 63 63 GLY H H 63 8.774 8.774 7.709 1.065 18734 6506 1 15 . 1 1 64 64 LEU N N 64 125.900 125.900 118.587 7.313 18734 6507 1 15 . 1 1 64 64 LEU HA H 64 4.169 4.169 4.852 -0.683 18734 6508 1 15 . 1 1 64 64 LEU CA C 64 56.103 56.103 56.284 -0.181 18734 6509 1 15 . 1 1 64 64 LEU CB C 64 40.431 40.431 43.955 -3.524 18734 6510 1 15 . 1 1 64 64 LEU H H 64 7.483 7.483 8.071 -0.588 18734 6511 1 15 . 1 1 65 65 ARG N N 65 111.696 111.696 119.042 -7.346 18734 6512 1 15 . 1 1 65 65 ARG HA H 65 4.057 4.057 4.746 -0.689 18734 6513 1 15 . 1 1 65 65 ARG CA C 65 51.787 51.787 55.149 -3.362 18734 6514 1 15 . 1 1 65 65 ARG CB C 65 26.474 26.474 30.259 -3.785 18734 6515 1 15 . 1 1 65 65 ARG H H 65 8.071 8.071 8.023 0.048 18734 6516 1 15 . 1 1 66 66 ASP N N 66 120.559 120.559 120.824 -0.265 18734 6517 1 15 . 1 1 66 66 ASP HA H 66 4.121 4.121 4.405 -0.284 18734 6518 1 15 . 1 1 66 66 ASP CA C 66 53.462 53.462 56.808 -3.346 18734 6519 1 15 . 1 1 66 66 ASP CB C 66 37.557 37.557 41.437 -3.880 18734 6520 1 15 . 1 1 66 66 ASP H H 66 7.293 7.293 7.965 -0.672 18734 6521 1 15 . 1 1 67 67 GLY N N 67 110.131 110.131 111.282 -1.151 18734 6522 1 15 . 1 1 67 67 GLY CA C 67 43.985 43.985 45.900 -1.915 18734 6523 1 15 . 1 1 67 67 GLY H H 67 8.695 8.695 8.615 0.080 18734 6524 1 15 . 1 1 68 68 ALA N N 68 123.462 123.462 123.900 -0.438 18734 6525 1 15 . 1 1 68 68 ALA HA H 68 4.385 4.385 4.591 -0.206 18734 6526 1 15 . 1 1 68 68 ALA CA C 68 49.065 49.065 51.363 -2.298 18734 6527 1 15 . 1 1 68 68 ALA CB C 68 19.402 19.402 21.458 -2.056 18734 6528 1 15 . 1 1 68 68 ALA H H 68 8.058 8.058 7.645 0.413 18734 6529 1 15 . 1 1 69 69 ASP N N 69 116.343 116.343 116.834 -0.491 18734 6530 1 15 . 1 1 69 69 ASP HA H 69 4.524 4.524 4.451 0.073 18734 6531 1 15 . 1 1 69 69 ASP CA C 69 51.240 51.240 54.287 -3.047 18734 6532 1 15 . 1 1 69 69 ASP CB C 69 39.076 39.076 42.443 -3.366 18734 6533 1 15 . 1 1 69 69 ASP H H 69 8.721 8.721 8.536 0.185 18734 6534 1 15 . 1 1 70 70 PHE N N 70 113.658 113.658 118.999 -5.341 18734 6535 1 15 . 1 1 70 70 PHE HA H 70 4.648 4.648 5.043 -0.395 18734 6536 1 15 . 1 1 70 70 PHE CA C 70 52.114 52.114 55.681 -3.567 18734 6537 1 15 . 1 1 70 70 PHE CB C 70 38.375 38.375 41.478 -3.103 18734 6538 1 15 . 1 1 70 70 PHE H H 70 5.865 5.865 7.187 -1.322 18734 6539 1 15 . 1 1 71 71 LEU N N 71 119.766 119.766 120.418 -0.652 18734 6540 1 15 . 1 1 71 71 LEU HA H 71 4.915 4.915 4.694 0.221 18734 6541 1 15 . 1 1 71 71 LEU CA C 71 50.797 50.797 53.903 -3.106 18734 6542 1 15 . 1 1 71 71 LEU CB C 71 41.482 41.482 45.085 -3.603 18734 6543 1 15 . 1 1 71 71 LEU H H 71 7.964 7.964 8.199 -0.235 18734 6544 1 15 . 1 1 72 72 ILE N N 72 123.675 123.675 120.192 3.483 18734 6545 1 15 . 1 1 72 72 ILE HA H 72 4.728 4.728 4.894 -0.166 18734 6546 1 15 . 1 1 72 72 ILE CB C 72 36.921 36.921 39.459 -2.538 18734 6547 1 15 . 1 1 72 72 ILE H H 72 9.073 9.073 9.212 -0.139 18734 6548 1 15 . 1 1 73 73 CYS N N 73 125.409 125.409 127.878 -2.469 18734 6549 1 15 . 1 1 73 73 CYS HA H 73 5.534 5.534 5.198 0.336 18734 6550 1 15 . 1 1 73 73 CYS CA C 73 54.056 54.056 57.555 -3.499 18734 6551 1 15 . 1 1 73 73 CYS CB C 73 27.753 27.753 26.595 1.158 18734 6552 1 15 . 1 1 73 73 CYS H H 73 9.060 9.060 8.866 0.194 18734 6553 1 15 . 1 1 74 74 VAL N N 74 114.408 114.408 121.615 -7.207 18734 6554 1 15 . 1 1 74 74 VAL HA H 74 4.951 4.951 4.572 0.379 18734 6555 1 15 . 1 1 74 74 VAL CA C 74 54.229 54.229 57.668 -3.439 18734 6556 1 15 . 1 1 74 74 VAL CB C 74 29.675 29.675 33.084 -3.409 18734 6557 1 15 . 1 1 74 74 VAL H H 74 7.938 7.938 8.931 -0.993 18734 6558 1 15 . 1 1 75 75 PRO HA H 75 4.283 4.283 4.461 -0.178 18734 6559 1 15 . 1 1 75 75 PRO CA C 75 60.889 60.889 62.665 -1.776 18734 6560 1 15 . 1 1 75 75 PRO CB C 75 29.499 29.499 32.291 -2.792 18734 6561 1 15 . 1 1 76 76 GLU N N 76 126.159 126.159 122.851 3.308 18734 6562 1 15 . 1 1 76 76 GLU HA H 76 3.664 3.664 3.797 -0.133 18734 6563 1 15 . 1 1 76 76 GLU CA C 76 58.112 58.112 59.772 -1.660 18734 6564 1 15 . 1 1 76 76 GLU CB C 76 26.894 26.894 28.948 -2.054 18734 6565 1 15 . 1 1 76 76 GLU H H 76 9.130 9.130 8.892 0.238 18734 6566 1 15 . 1 1 77 77 GLU N N 77 117.145 117.145 119.824 -2.679 18734 6567 1 15 . 1 1 77 77 GLU HA H 77 4.100 4.100 4.125 -0.025 18734 6568 1 15 . 1 1 77 77 GLU CA C 77 55.734 55.734 58.412 -2.678 18734 6569 1 15 . 1 1 77 77 GLU CB C 77 26.315 26.315 29.261 -2.946 18734 6570 1 15 . 1 1 77 77 GLU H H 77 9.350 9.350 8.360 0.990 18734 6571 1 15 . 1 1 78 78 ALA N N 78 120.398 120.398 120.870 -0.472 18734 6572 1 15 . 1 1 78 78 ALA HA H 78 4.699 4.699 4.305 0.394 18734 6573 1 15 . 1 1 78 78 ALA CB C 78 18.962 18.962 18.847 0.115 18734 6574 1 15 . 1 1 78 78 ALA H H 78 8.044 8.044 7.458 0.586 18734 6575 1 15 . 1 1 79 79 LEU N N 79 122.497 122.497 120.705 1.792 18734 6576 1 15 . 1 1 79 79 LEU HA H 79 3.710 3.710 3.810 -0.100 18734 6577 1 15 . 1 1 79 79 LEU CA C 79 56.837 56.837 58.715 -1.878 18734 6578 1 15 . 1 1 79 79 LEU CB C 79 40.952 40.952 41.687 -0.735 18734 6579 1 15 . 1 1 79 79 LEU H H 79 7.331 7.331 7.610 -0.279 18734 6580 1 15 . 1 1 80 80 ASP N N 80 116.432 116.432 116.331 0.101 18734 6581 1 15 . 1 1 80 80 ASP HA H 80 4.357 4.357 4.472 -0.115 18734 6582 1 15 . 1 1 80 80 ASP CA C 80 54.751 54.751 57.050 -2.299 18734 6583 1 15 . 1 1 80 80 ASP CB C 80 38.534 38.534 40.688 -2.154 18734 6584 1 15 . 1 1 80 80 ASP H H 80 8.305 8.305 8.675 -0.370 18734 6585 1 15 . 1 1 81 81 ARG N N 81 119.433 119.433 120.218 -0.785 18734 6586 1 15 . 1 1 81 81 ARG HA H 81 3.894 3.894 4.109 -0.214 18734 6587 1 15 . 1 1 81 81 ARG CA C 81 56.473 56.473 59.276 -2.804 18734 6588 1 15 . 1 1 81 81 ARG CB C 81 27.481 27.481 30.430 -2.949 18734 6589 1 15 . 1 1 81 81 ARG H H 81 7.638 7.638 7.648 -0.010 18734 6590 1 15 . 1 1 82 82 TYR N N 82 116.397 116.397 117.589 -1.192 18734 6591 1 15 . 1 1 82 82 TYR HA H 82 3.830 3.830 4.252 -0.422 18734 6592 1 15 . 1 1 82 82 TYR CA C 82 61.170 61.170 61.111 0.059 18734 6593 1 15 . 1 1 82 82 TYR CB C 82 37.031 37.031 38.149 -1.118 18734 6594 1 15 . 1 1 82 82 TYR H H 82 8.198 8.198 8.518 -0.320 18734 6595 1 15 . 1 1 83 83 ARG N N 83 113.114 113.114 118.025 -4.911 18734 6596 1 15 . 1 1 83 83 ARG HA H 83 3.728 3.728 4.114 -0.386 18734 6597 1 15 . 1 1 83 83 ARG CA C 83 58.115 58.115 59.201 -1.086 18734 6598 1 15 . 1 1 83 83 ARG CB C 83 28.107 28.107 30.336 -2.229 18734 6599 1 15 . 1 1 83 83 ARG H H 83 8.151 8.151 7.902 0.249 18734 6600 1 15 . 1 1 84 84 ARG N N 84 111.791 111.791 116.650 -4.859 18734 6601 1 15 . 1 1 84 84 ARG HA H 84 4.386 4.386 4.363 0.023 18734 6602 1 15 . 1 1 84 84 ARG CA C 84 52.335 52.335 55.750 -3.415 18734 6603 1 15 . 1 1 84 84 ARG CB C 84 27.987 27.987 29.507 -1.520 18734 6604 1 15 . 1 1 84 84 ARG H H 84 7.571 7.571 7.500 0.071 18734 6605 1 15 . 1 1 85 85 ASP N N 85 123.157 123.157 119.912 3.245 18734 6606 1 15 . 1 1 85 85 ASP HA H 85 4.373 4.373 4.636 -0.263 18734 6607 1 15 . 1 1 85 85 ASP CA C 85 52.852 52.852 54.446 -1.593 18734 6608 1 15 . 1 1 85 85 ASP CB C 85 42.482 42.482 42.155 0.327 18734 6609 1 15 . 1 1 85 85 ASP H H 85 7.200 7.200 7.513 -0.313 18734 6610 1 15 . 1 1 86 86 TYR N N 86 123.389 123.389 121.702 1.687 18734 6611 1 15 . 1 1 86 86 TYR HA H 86 4.092 4.092 4.446 -0.354 18734 6612 1 15 . 1 1 86 86 TYR CA C 86 58.674 58.674 60.230 -1.556 18734 6613 1 15 . 1 1 86 86 TYR CB C 86 35.801 35.801 39.671 -3.870 18734 6614 1 15 . 1 1 86 86 TYR H H 86 8.440 8.440 8.498 -0.058 18734 6615 1 15 . 1 1 87 87 PHE N N 87 117.092 117.092 119.803 -2.711 18734 6616 1 15 . 1 1 87 87 PHE HA H 87 4.378 4.378 4.365 0.013 18734 6617 1 15 . 1 1 87 87 PHE CA C 87 57.433 57.433 60.429 -2.996 18734 6618 1 15 . 1 1 87 87 PHE CB C 87 37.442 37.442 40.135 -2.693 18734 6619 1 15 . 1 1 87 87 PHE H H 87 7.931 7.931 8.592 -0.661 18734 6620 1 15 . 1 1 88 88 TRP N N 88 121.396 121.396 118.939 2.457 18734 6621 1 15 . 1 1 88 88 TRP HA H 88 3.798 3.798 4.656 -0.858 18734 6622 1 15 . 1 1 88 88 TRP CA C 88 59.544 59.544 59.724 -0.180 18734 6623 1 15 . 1 1 88 88 TRP CB C 88 26.293 26.293 29.016 -2.723 18734 6624 1 15 . 1 1 88 88 TRP H H 88 9.757 9.757 9.046 0.711 18734 6625 1 15 . 1 1 89 89 GLN N N 89 117.760 117.760 119.990 -2.230 18734 6626 1 15 . 1 1 89 89 GLN HA H 89 4.393 4.393 3.926 0.467 18734 6627 1 15 . 1 1 89 89 GLN CA C 89 55.882 55.882 58.485 -2.603 18734 6628 1 15 . 1 1 89 89 GLN CB C 89 30.198 30.198 27.163 3.035 18734 6629 1 15 . 1 1 89 89 GLN H H 89 8.490 8.490 8.139 0.351 18734 6630 1 15 . 1 1 90 90 THR N N 90 118.285 118.285 115.543 2.742 18734 6631 1 15 . 1 1 90 90 THR HA H 90 3.686 3.686 3.907 -0.221 18734 6632 1 15 . 1 1 90 90 THR CA C 90 62.770 62.770 65.221 -2.451 18734 6633 1 15 . 1 1 90 90 THR CB C 90 66.664 66.664 68.479 -1.815 18734 6634 1 15 . 1 1 90 90 THR H H 90 7.932 7.932 7.738 0.194 18734 6635 1 15 . 1 1 91 91 TYR N N 91 118.448 118.448 119.916 -1.468 18734 6636 1 15 . 1 1 91 91 TYR HA H 91 4.975 4.975 4.909 0.066 18734 6637 1 15 . 1 1 91 91 TYR CA C 91 55.511 55.511 58.887 -3.376 18734 6638 1 15 . 1 1 91 91 TYR CB C 91 37.126 37.126 37.439 -0.313 18734 6639 1 15 . 1 1 91 91 TYR H H 91 8.009 8.009 7.743 0.266 18734 6640 1 15 . 1 1 92 92 ALA N N 92 122.351 122.351 123.226 -0.875 18734 6641 1 15 . 1 1 92 92 ALA HA H 92 3.843 3.843 4.064 -0.221 18734 6642 1 15 . 1 1 92 92 ALA CA C 92 54.108 54.108 54.830 -0.722 18734 6643 1 15 . 1 1 92 92 ALA CB C 92 16.505 16.505 17.596 -1.091 18734 6644 1 15 . 1 1 92 92 ALA H H 92 7.665 7.665 7.920 -0.255 18734 6645 1 15 . 1 1 93 93 ALA N N 93 117.548 117.548 119.827 -2.279 18734 6646 1 15 . 1 1 93 93 ALA HA H 93 3.702 3.702 3.814 -0.112 18734 6647 1 15 . 1 1 93 93 ALA CA C 93 51.371 51.371 53.296 -1.925 18734 6648 1 15 . 1 1 93 93 ALA CB C 93 14.292 14.292 17.887 -3.595 18734 6649 1 15 . 1 1 93 93 ALA H H 93 8.275 8.275 7.665 0.610 18734 6650 1 15 . 1 1 94 94 TRP N N 94 115.303 115.303 114.710 0.593 18734 6651 1 15 . 1 1 94 94 TRP HA H 94 4.669 4.669 4.963 -0.294 18734 6652 1 15 . 1 1 94 94 TRP CB C 94 26.912 26.912 30.064 -3.152 18734 6653 1 15 . 1 1 94 94 TRP H H 94 8.203 8.203 7.969 0.234 18734 6654 1 15 . 1 1 95 95 ILE N N 95 120.680 120.680 121.706 -1.026 18734 6655 1 15 . 1 1 95 95 ILE HA H 95 5.325 5.325 4.834 0.491 18734 6656 1 15 . 1 1 95 95 ILE CA C 95 57.930 57.930 60.987 -3.057 18734 6657 1 15 . 1 1 95 95 ILE CB C 95 36.508 36.508 38.414 -1.906 18734 6658 1 15 . 1 1 95 95 ILE H H 95 7.153 7.153 7.543 -0.390 18734 6659 1 15 . 1 1 96 96 GLN N N 96 128.223 128.223 126.576 1.647 18734 6660 1 15 . 1 1 96 96 GLN HA H 96 4.691 4.691 4.958 -0.267 18734 6661 1 15 . 1 1 96 96 GLN CB C 96 28.885 28.885 29.611 -0.726 18734 6662 1 15 . 1 1 96 96 GLN H H 96 9.189 9.189 8.734 0.455 18734 6663 1 15 . 1 1 97 97 PRO HA H 97 4.833 4.833 4.859 -0.026 18734 6664 1 15 . 1 1 97 97 PRO CA C 97 59.122 59.122 62.720 -3.598 18734 6665 1 15 . 1 1 97 97 PRO CB C 97 29.515 29.515 32.817 -3.302 18734 6666 1 15 . 1 1 98 98 MET N N 98 120.815 120.815 117.810 3.005 18734 6667 1 15 . 1 1 98 98 MET HA H 98 4.116 4.116 4.757 -0.641 18734 6668 1 15 . 1 1 98 98 MET CA C 98 52.944 52.944 55.246 -2.302 18734 6669 1 15 . 1 1 98 98 MET CB C 98 30.981 30.981 34.538 -3.557 18734 6670 1 15 . 1 1 98 98 MET H H 98 8.551 8.551 7.927 0.624 18734 6671 1 15 . 1 1 99 99 GLU N N 99 124.677 124.677 120.442 4.235 18734 6672 1 15 . 1 1 99 99 GLU HA H 99 4.220 4.220 4.636 -0.416 18734 6673 1 15 . 1 1 99 99 GLU CA C 99 53.952 53.952 56.066 -2.114 18734 6674 1 15 . 1 1 99 99 GLU CB C 99 27.803 27.803 31.503 -3.700 18734 6675 1 15 . 1 1 99 99 GLU H H 99 8.532 8.532 8.472 0.060 18734 6676 1 16 . 1 1 2 2 SER HA H 2 4.373 4.373 5.181 -0.808 18734 6677 1 16 . 1 1 2 2 SER CA C 2 55.756 55.756 57.617 -1.861 18734 6678 1 16 . 1 1 2 2 SER CB C 2 61.143 61.143 65.830 -4.687 18734 6679 1 16 . 1 1 3 3 HIS HA H 3 4.613 4.613 4.753 -0.141 18734 6680 1 16 . 1 1 3 3 HIS CA C 3 52.991 52.991 55.301 -2.310 18734 6681 1 16 . 1 1 3 3 HIS CB C 3 26.607 26.607 30.637 -4.030 18734 6682 1 16 . 1 1 4 4 GLU N N 4 122.124 122.124 121.763 0.361 18734 6683 1 16 . 1 1 4 4 GLU HA H 4 4.171 4.171 4.372 -0.201 18734 6684 1 16 . 1 1 4 4 GLU CA C 4 54.441 54.441 55.805 -1.364 18734 6685 1 16 . 1 1 4 4 GLU CB C 4 27.585 27.585 29.006 -1.421 18734 6686 1 16 . 1 1 4 4 GLU H H 4 8.415 8.415 8.655 -0.240 18734 6687 1 16 . 1 1 5 5 GLY N N 5 110.434 110.434 109.944 0.490 18734 6688 1 16 . 1 1 5 5 GLY CA C 5 42.610 42.610 44.956 -2.346 18734 6689 1 16 . 1 1 5 5 GLY H H 5 8.488 8.488 7.489 0.999 18734 6690 1 16 . 1 1 6 6 GLU N N 6 121.376 121.376 126.166 -4.790 18734 6691 1 16 . 1 1 6 6 GLU HA H 6 4.560 4.560 4.688 -0.128 18734 6692 1 16 . 1 1 6 6 GLU CA C 6 51.629 51.629 52.836 -1.207 18734 6693 1 16 . 1 1 6 6 GLU CB C 6 26.998 26.998 30.636 -3.638 18734 6694 1 16 . 1 1 6 6 GLU H H 6 7.954 7.954 8.278 -0.324 18734 6695 1 16 . 1 1 7 7 PRO HA H 7 4.464 4.464 4.259 0.205 18734 6696 1 16 . 1 1 7 7 PRO CA C 7 60.517 60.517 62.569 -2.052 18734 6697 1 16 . 1 1 7 7 PRO CB C 7 29.486 29.486 30.034 -0.548 18734 6698 1 16 . 1 1 8 8 VAL N N 8 120.493 120.493 118.468 2.025 18734 6699 1 16 . 1 1 8 8 VAL HA H 8 4.387 4.387 4.189 0.198 18734 6700 1 16 . 1 1 8 8 VAL CA C 8 58.483 58.483 59.742 -1.259 18734 6701 1 16 . 1 1 8 8 VAL CB C 8 31.177 31.177 36.032 -4.855 18734 6702 1 16 . 1 1 8 8 VAL H H 8 8.177 8.177 7.730 0.447 18734 6703 1 16 . 1 1 9 9 VAL N N 9 124.516 124.516 124.354 0.162 18734 6704 1 16 . 1 1 9 9 VAL HA H 9 4.024 4.024 4.388 -0.364 18734 6705 1 16 . 1 1 9 9 VAL CA C 9 60.336 60.336 62.305 -1.969 18734 6706 1 16 . 1 1 9 9 VAL CB C 9 29.995 29.995 29.771 0.224 18734 6707 1 16 . 1 1 9 9 VAL H H 9 8.246 8.246 9.163 -0.917 18734 6708 1 16 . 1 1 10 10 GLY N N 10 114.968 114.968 112.207 2.761 18734 6709 1 16 . 1 1 10 10 GLY CA C 10 42.318 42.318 44.539 -2.221 18734 6710 1 16 . 1 1 10 10 GLY H H 10 8.595 8.595 8.294 0.301 18734 6711 1 16 . 1 1 11 11 MET N N 11 120.532 120.532 119.709 0.823 18734 6712 1 16 . 1 1 11 11 MET CA C 11 53.802 53.802 58.560 -4.758 18734 6713 1 16 . 1 1 11 11 MET CB C 11 30.698 30.698 31.839 -1.141 18734 6714 1 16 . 1 1 11 11 MET H H 11 8.320 8.320 7.868 0.452 18734 6715 1 16 . 1 1 12 12 ASP N N 12 120.515 120.515 122.780 -2.265 18734 6716 1 16 . 1 1 12 12 ASP HA H 12 4.637 4.637 4.582 0.055 18734 6717 1 16 . 1 1 12 12 ASP CB C 12 38.090 38.090 40.758 -2.668 18734 6718 1 16 . 1 1 12 12 ASP H H 12 8.261 8.261 8.042 0.219 18734 6719 1 16 . 1 1 13 13 LYS N N 13 123.685 123.685 126.398 -2.713 18734 6720 1 16 . 1 1 13 13 LYS HA H 13 4.623 4.623 4.674 -0.051 18734 6721 1 16 . 1 1 13 13 LYS CA C 13 50.898 50.898 55.437 -4.539 18734 6722 1 16 . 1 1 13 13 LYS CB C 13 30.003 30.003 30.723 -0.720 18734 6723 1 16 . 1 1 13 13 LYS H H 13 8.579 8.579 8.581 -0.002 18734 6724 1 16 . 1 1 14 14 SER N N 14 115.048 115.048 113.185 1.863 18734 6725 1 16 . 1 1 14 14 SER HA H 14 4.447 4.447 4.801 -0.354 18734 6726 1 16 . 1 1 14 14 SER CA C 14 56.917 56.917 58.743 -1.826 18734 6727 1 16 . 1 1 14 14 SER CB C 14 61.536 61.536 64.592 -3.056 18734 6728 1 16 . 1 1 14 14 SER H H 14 8.507 8.507 8.347 0.160 18734 6729 1 16 . 1 1 15 15 LEU N N 15 119.294 119.294 121.346 -2.052 18734 6730 1 16 . 1 1 15 15 LEU HA H 15 3.989 3.989 4.660 -0.671 18734 6731 1 16 . 1 1 15 15 LEU CA C 15 53.219 53.219 54.500 -1.281 18734 6732 1 16 . 1 1 15 15 LEU CB C 15 39.813 39.813 42.771 -2.958 18734 6733 1 16 . 1 1 15 15 LEU H H 15 6.908 6.908 8.101 -1.193 18734 6734 1 16 . 1 1 16 16 PHE N N 16 117.103 117.103 121.527 -4.424 18734 6735 1 16 . 1 1 16 16 PHE HA H 16 4.397 4.397 4.290 0.107 18734 6736 1 16 . 1 1 16 16 PHE CA C 16 56.719 56.719 59.860 -3.141 18734 6737 1 16 . 1 1 16 16 PHE CB C 16 37.917 37.917 38.406 -0.489 18734 6738 1 16 . 1 1 16 16 PHE H H 16 7.658 7.658 8.134 -0.476 18734 6739 1 16 . 1 1 17 17 ALA N N 17 120.694 120.694 121.348 -0.654 18734 6740 1 16 . 1 1 17 17 ALA HA H 17 3.964 3.964 4.327 -0.363 18734 6741 1 16 . 1 1 17 17 ALA CA C 17 51.840 51.840 53.573 -1.733 18734 6742 1 16 . 1 1 17 17 ALA CB C 17 15.004 15.004 17.446 -2.442 18734 6743 1 16 . 1 1 17 17 ALA H H 17 7.514 7.514 8.090 -0.576 18734 6744 1 16 . 1 1 18 18 GLY N N 18 110.007 110.007 111.788 -1.781 18734 6745 1 16 . 1 1 18 18 GLY CA C 18 43.150 43.150 45.221 -2.071 18734 6746 1 16 . 1 1 18 18 GLY H H 18 8.204 8.204 8.134 0.070 18734 6747 1 16 . 1 1 19 19 ASN N N 19 119.323 119.323 122.633 -3.310 18734 6748 1 16 . 1 1 19 19 ASN HA H 19 4.733 4.733 4.851 -0.118 18734 6749 1 16 . 1 1 19 19 ASN CB C 19 36.020 36.020 39.116 -3.096 18734 6750 1 16 . 1 1 19 19 ASN H H 19 8.124 8.124 7.916 0.208 18734 6751 1 16 . 1 1 20 20 THR N N 20 116.844 116.844 116.225 0.619 18734 6752 1 16 . 1 1 20 20 THR HA H 20 4.243 4.243 4.596 -0.353 18734 6753 1 16 . 1 1 20 20 THR CA C 20 60.224 60.224 62.089 -1.865 18734 6754 1 16 . 1 1 20 20 THR CB C 20 66.167 66.167 68.530 -2.363 18734 6755 1 16 . 1 1 20 20 THR H H 20 8.400 8.400 8.529 -0.129 18734 6756 1 16 . 1 1 21 21 VAL N N 21 117.661 117.661 119.492 -1.831 18734 6757 1 16 . 1 1 21 21 VAL HA H 21 4.161 4.161 4.273 -0.112 18734 6758 1 16 . 1 1 21 21 VAL CA C 21 59.739 59.739 61.860 -2.121 18734 6759 1 16 . 1 1 21 21 VAL CB C 21 31.224 31.224 32.462 -1.238 18734 6760 1 16 . 1 1 21 21 VAL H H 21 8.412 8.412 8.141 0.271 18734 6761 1 16 . 1 1 22 22 ILE N N 22 120.465 120.465 122.361 -1.896 18734 6762 1 16 . 1 1 22 22 ILE HA H 22 3.873 3.873 4.457 -0.584 18734 6763 1 16 . 1 1 22 22 ILE CA C 22 59.860 59.860 59.318 0.542 18734 6764 1 16 . 1 1 22 22 ILE CB C 22 37.052 37.052 38.748 -1.696 18734 6765 1 16 . 1 1 22 22 ILE H H 22 7.300 7.300 7.550 -0.250 18734 6766 1 16 . 1 1 23 23 ARG N N 23 122.168 122.168 125.680 -3.512 18734 6767 1 16 . 1 1 23 23 ARG HA H 23 4.940 4.940 4.295 0.645 18734 6768 1 16 . 1 1 23 23 ARG CA C 23 54.175 54.175 58.484 -4.309 18734 6769 1 16 . 1 1 23 23 ARG CB C 23 30.921 30.921 30.910 0.011 18734 6770 1 16 . 1 1 23 23 ARG H H 23 8.328 8.328 8.578 -0.250 18734 6771 1 16 . 1 1 24 24 GLU N N 24 117.968 117.968 116.290 1.678 18734 6772 1 16 . 1 1 24 24 GLU HA H 24 5.100 5.100 4.994 0.106 18734 6773 1 16 . 1 1 24 24 GLU CA C 24 51.948 51.948 55.205 -3.257 18734 6774 1 16 . 1 1 24 24 GLU CB C 24 30.737 30.737 33.258 -2.521 18734 6775 1 16 . 1 1 24 24 GLU H H 24 7.474 7.474 7.767 -0.293 18734 6776 1 16 . 1 1 25 25 ILE N N 25 121.135 121.135 127.075 -5.940 18734 6777 1 16 . 1 1 25 25 ILE HA H 25 4.205 4.205 4.496 -0.291 18734 6778 1 16 . 1 1 25 25 ILE CA C 25 57.149 57.149 59.987 -2.838 18734 6779 1 16 . 1 1 25 25 ILE CB C 25 39.882 39.882 39.682 0.200 18734 6780 1 16 . 1 1 25 25 ILE H H 25 7.591 7.591 8.666 -1.075 18734 6781 1 16 . 1 1 26 26 THR N N 26 122.935 122.935 123.556 -0.621 18734 6782 1 16 . 1 1 26 26 THR HA H 26 4.999 4.999 4.459 0.540 18734 6783 1 16 . 1 1 26 26 THR CA C 26 59.185 59.185 64.386 -5.201 18734 6784 1 16 . 1 1 26 26 THR CB C 26 67.259 67.259 69.406 -2.147 18734 6785 1 16 . 1 1 26 26 THR H H 26 8.243 8.243 8.578 -0.335 18734 6786 1 16 . 1 1 27 27 VAL N N 27 124.220 124.220 124.065 0.155 18734 6787 1 16 . 1 1 27 27 VAL HA H 27 4.421 4.421 4.509 -0.088 18734 6788 1 16 . 1 1 27 27 VAL CA C 27 58.144 58.144 60.608 -2.464 18734 6789 1 16 . 1 1 27 27 VAL CB C 27 30.727 30.727 35.493 -4.766 18734 6790 1 16 . 1 1 27 27 VAL H H 27 9.216 9.216 8.854 0.362 18734 6791 1 16 . 1 1 28 28 GLN N N 28 129.280 129.280 120.120 9.160 18734 6792 1 16 . 1 1 28 28 GLN HA H 28 4.702 4.702 5.297 -0.595 18734 6793 1 16 . 1 1 28 28 GLN CB C 28 25.480 25.480 29.993 -4.513 18734 6794 1 16 . 1 1 28 28 GLN H H 28 8.782 8.782 8.463 0.319 18734 6795 1 16 . 1 1 29 29 PRO HA H 29 3.457 3.457 3.176 0.281 18734 6796 1 16 . 1 1 29 29 PRO CA C 29 60.712 60.712 62.320 -1.608 18734 6797 1 16 . 1 1 29 29 PRO CB C 29 30.122 30.122 32.049 -1.927 18734 6798 1 16 . 1 1 30 30 ASN N N 30 113.396 113.396 114.174 -0.778 18734 6799 1 16 . 1 1 30 30 ASN HA H 30 4.329 4.329 4.205 0.124 18734 6800 1 16 . 1 1 30 30 ASN CA C 30 51.999 51.999 54.857 -2.858 18734 6801 1 16 . 1 1 30 30 ASN CB C 30 34.627 34.627 37.072 -2.445 18734 6802 1 16 . 1 1 30 30 ASN H H 30 8.199 8.199 8.453 -0.254 18734 6803 1 16 . 1 1 31 31 ILE N N 31 115.907 115.907 116.733 -0.826 18734 6804 1 16 . 1 1 31 31 ILE HA H 31 4.395 4.395 4.261 0.134 18734 6805 1 16 . 1 1 31 31 ILE CA C 31 57.434 57.434 60.430 -2.996 18734 6806 1 16 . 1 1 31 31 ILE CB C 31 36.859 36.859 38.885 -2.026 18734 6807 1 16 . 1 1 31 31 ILE H H 31 8.201 8.201 8.009 0.192 18734 6808 1 16 . 1 1 32 32 GLY N N 32 111.217 111.217 106.144 5.073 18734 6809 1 16 . 1 1 32 32 GLY CA C 32 41.729 41.729 44.224 -2.495 18734 6810 1 16 . 1 1 32 32 GLY H H 32 7.998 7.998 7.511 0.487 18734 6811 1 16 . 1 1 33 33 LEU N N 33 120.007 120.007 121.117 -1.110 18734 6812 1 16 . 1 1 33 33 LEU HA H 33 3.880 3.880 4.554 -0.674 18734 6813 1 16 . 1 1 33 33 LEU CA C 33 53.595 53.595 54.374 -0.779 18734 6814 1 16 . 1 1 33 33 LEU CB C 33 40.528 40.528 43.179 -2.651 18734 6815 1 16 . 1 1 33 33 LEU H H 33 7.820 7.820 8.309 -0.489 18734 6816 1 16 . 1 1 34 34 LEU N N 34 128.106 128.106 129.432 -1.326 18734 6817 1 16 . 1 1 34 34 LEU HA H 34 4.485 4.485 4.177 0.308 18734 6818 1 16 . 1 1 34 34 LEU CA C 34 51.078 51.078 54.534 -3.456 18734 6819 1 16 . 1 1 34 34 LEU CB C 34 37.447 37.447 40.892 -3.445 18734 6820 1 16 . 1 1 34 34 LEU H H 34 8.551 8.551 8.607 -0.056 18734 6821 1 16 . 1 1 35 35 TYR N N 35 121.473 121.473 121.164 0.309 18734 6822 1 16 . 1 1 35 35 TYR HA H 35 4.240 4.240 4.716 -0.476 18734 6823 1 16 . 1 1 35 35 TYR CA C 35 53.814 53.814 54.078 -0.264 18734 6824 1 16 . 1 1 35 35 TYR CB C 35 36.868 36.868 39.585 -2.717 18734 6825 1 16 . 1 1 35 35 TYR H H 35 6.363 6.363 7.393 -1.030 18734 6826 1 16 . 1 1 36 36 ASP N N 36 119.590 119.590 119.661 -0.071 18734 6827 1 16 . 1 1 36 36 ASP HA H 36 3.980 3.980 4.577 -0.597 18734 6828 1 16 . 1 1 36 36 ASP CA C 36 52.760 52.760 54.859 -2.099 18734 6829 1 16 . 1 1 36 36 ASP CB C 36 37.119 37.119 39.749 -2.630 18734 6830 1 16 . 1 1 36 36 ASP H H 36 8.573 8.573 8.566 0.007 18734 6831 1 16 . 1 1 37 37 GLY N N 37 108.636 108.636 113.546 -4.910 18734 6832 1 16 . 1 1 37 37 GLY CA C 37 44.335 44.335 45.200 -0.865 18734 6833 1 16 . 1 1 37 37 GLY H H 37 7.903 7.903 8.596 -0.693 18734 6834 1 16 . 1 1 38 38 MET N N 38 120.339 120.339 119.389 0.950 18734 6835 1 16 . 1 1 38 38 MET HA H 38 3.631 3.631 3.903 -0.272 18734 6836 1 16 . 1 1 38 38 MET CA C 38 56.101 56.101 59.123 -3.022 18734 6837 1 16 . 1 1 38 38 MET CB C 38 29.166 29.166 32.115 -2.949 18734 6838 1 16 . 1 1 38 38 MET H H 38 7.873 7.873 7.286 0.587 18734 6839 1 16 . 1 1 39 39 PHE N N 39 115.430 115.430 112.748 2.682 18734 6840 1 16 . 1 1 39 39 PHE HA H 39 4.908 4.908 4.720 0.188 18734 6841 1 16 . 1 1 39 39 PHE CA C 39 52.898 52.898 55.675 -2.777 18734 6842 1 16 . 1 1 39 39 PHE CB C 39 36.647 36.647 37.613 -0.966 18734 6843 1 16 . 1 1 39 39 PHE H H 39 8.504 8.504 7.696 0.808 18734 6844 1 16 . 1 1 40 40 SER N N 40 113.647 113.647 116.946 -3.299 18734 6845 1 16 . 1 1 40 40 SER HA H 40 4.238 4.238 4.234 0.004 18734 6846 1 16 . 1 1 40 40 SER CA C 40 56.954 56.954 60.324 -3.370 18734 6847 1 16 . 1 1 40 40 SER CB C 40 60.458 60.458 63.348 -2.890 18734 6848 1 16 . 1 1 40 40 SER H H 40 7.264 7.264 7.774 -0.510 18734 6849 1 16 . 1 1 41 41 GLY N N 41 115.225 115.225 114.033 1.192 18734 6850 1 16 . 1 1 41 41 GLY CA C 41 42.941 42.941 45.882 -2.941 18734 6851 1 16 . 1 1 41 41 GLY H H 41 9.110 9.110 8.480 0.630 18734 6852 1 16 . 1 1 42 42 CYS N N 42 120.385 120.385 121.666 -1.281 18734 6853 1 16 . 1 1 42 42 CYS HA H 42 4.761 4.761 4.597 0.164 18734 6854 1 16 . 1 1 42 42 CYS CB C 42 23.867 23.867 25.494 -1.627 18734 6855 1 16 . 1 1 42 42 CYS H H 42 7.929 7.929 8.149 -0.220 18734 6856 1 16 . 1 1 43 43 THR N N 43 113.920 113.920 115.872 -1.952 18734 6857 1 16 . 1 1 43 43 THR HA H 43 3.863 3.863 4.174 -0.311 18734 6858 1 16 . 1 1 43 43 THR CA C 43 61.663 61.663 64.463 -2.800 18734 6859 1 16 . 1 1 43 43 THR CB C 43 66.027 66.027 68.930 -2.903 18734 6860 1 16 . 1 1 43 43 THR H H 43 7.495 7.495 8.266 -0.771 18734 6861 1 16 . 1 1 44 44 ALA N N 44 123.479 123.479 123.925 -0.446 18734 6862 1 16 . 1 1 44 44 ALA HA H 44 4.477 4.477 4.619 -0.142 18734 6863 1 16 . 1 1 44 44 ALA CA C 44 48.198 48.198 50.866 -2.668 18734 6864 1 16 . 1 1 44 44 ALA CB C 44 17.096 17.096 19.656 -2.560 18734 6865 1 16 . 1 1 44 44 ALA H H 44 8.551 8.551 7.934 0.617 18734 6866 1 16 . 1 1 45 45 LEU N N 45 121.070 121.070 122.194 -1.124 18734 6867 1 16 . 1 1 45 45 LEU HA H 45 3.981 3.981 4.918 -0.937 18734 6868 1 16 . 1 1 45 45 LEU CA C 45 53.838 53.838 53.735 0.103 18734 6869 1 16 . 1 1 45 45 LEU CB C 45 40.243 40.243 43.888 -3.644 18734 6870 1 16 . 1 1 45 45 LEU H H 45 6.819 6.819 7.744 -0.925 18734 6871 1 16 . 1 1 46 46 GLU N N 46 128.627 128.627 122.926 5.701 18734 6872 1 16 . 1 1 46 46 GLU HA H 46 4.511 4.511 4.679 -0.168 18734 6873 1 16 . 1 1 46 46 GLU CA C 46 54.357 54.357 55.750 -1.393 18734 6874 1 16 . 1 1 46 46 GLU CB C 46 29.883 29.883 32.019 -2.136 18734 6875 1 16 . 1 1 46 46 GLU H H 46 9.401 9.401 8.625 0.776 18734 6876 1 16 . 1 1 47 47 LYS N N 47 116.297 116.297 120.018 -3.721 18734 6877 1 16 . 1 1 47 47 LYS HA H 47 5.128 5.128 5.012 0.116 18734 6878 1 16 . 1 1 47 47 LYS CA C 47 52.808 52.808 55.460 -2.652 18734 6879 1 16 . 1 1 47 47 LYS CB C 47 35.325 35.325 37.401 -2.076 18734 6880 1 16 . 1 1 47 47 LYS H H 47 7.171 7.171 8.386 -1.215 18734 6881 1 16 . 1 1 48 48 LEU N N 48 125.474 125.474 125.543 -0.069 18734 6882 1 16 . 1 1 48 48 LEU HA H 48 4.403 4.403 4.919 -0.516 18734 6883 1 16 . 1 1 48 48 LEU CA C 48 50.489 50.489 54.219 -3.730 18734 6884 1 16 . 1 1 48 48 LEU CB C 48 41.991 41.991 44.425 -2.434 18734 6885 1 16 . 1 1 48 48 LEU H H 48 8.715 8.715 8.760 -0.045 18734 6886 1 16 . 1 1 49 49 ILE N N 49 127.246 127.246 125.522 1.724 18734 6887 1 16 . 1 1 49 49 ILE HA H 49 4.145 4.145 4.664 -0.519 18734 6888 1 16 . 1 1 49 49 ILE CA C 49 58.314 58.314 60.763 -2.449 18734 6889 1 16 . 1 1 49 49 ILE CB C 49 36.125 36.125 39.757 -3.632 18734 6890 1 16 . 1 1 49 49 ILE H H 49 9.131 9.131 8.139 0.992 18734 6891 1 16 . 1 1 50 50 LEU N N 50 128.685 128.685 124.899 3.786 18734 6892 1 16 . 1 1 50 50 LEU HA H 50 4.417 4.417 5.067 -0.650 18734 6893 1 16 . 1 1 50 50 LEU CA C 50 50.414 50.414 54.055 -3.641 18734 6894 1 16 . 1 1 50 50 LEU CB C 50 36.390 36.390 42.905 -6.515 18734 6895 1 16 . 1 1 50 50 LEU H H 50 8.553 8.553 8.755 -0.202 18734 6896 1 16 . 1 1 51 51 THR N N 51 109.751 109.751 113.148 -3.397 18734 6897 1 16 . 1 1 51 51 THR HA H 51 3.935 3.935 4.303 -0.368 18734 6898 1 16 . 1 1 51 51 THR CA C 51 60.194 60.194 63.226 -3.032 18734 6899 1 16 . 1 1 51 51 THR CB C 51 66.107 66.107 69.176 -3.069 18734 6900 1 16 . 1 1 51 51 THR H H 51 6.964 6.964 8.418 -1.454 18734 6901 1 16 . 1 1 52 52 GLY N N 52 108.656 108.656 109.539 -0.883 18734 6902 1 16 . 1 1 52 52 GLY CA C 52 42.432 42.432 44.233 -1.800 18734 6903 1 16 . 1 1 52 52 GLY H H 52 8.409 8.409 7.698 0.711 18734 6904 1 16 . 1 1 53 53 GLU N N 53 119.733 119.733 122.429 -2.696 18734 6905 1 16 . 1 1 53 53 GLU HA H 53 4.061 4.061 4.224 -0.163 18734 6906 1 16 . 1 1 53 53 GLU CA C 53 54.296 54.296 58.213 -3.917 18734 6907 1 16 . 1 1 53 53 GLU CB C 53 27.425 27.425 30.207 -2.782 18734 6908 1 16 . 1 1 53 53 GLU H H 53 8.741 8.741 8.852 -0.111 18734 6909 1 16 . 1 1 54 54 ASP N N 54 118.231 118.231 114.877 3.354 18734 6910 1 16 . 1 1 54 54 ASP HA H 54 5.035 5.035 4.972 0.063 18734 6911 1 16 . 1 1 54 54 ASP CA C 54 46.882 46.882 50.964 -4.082 18734 6912 1 16 . 1 1 54 54 ASP CB C 54 39.822 39.822 43.312 -3.490 18734 6913 1 16 . 1 1 54 54 ASP H H 54 8.309 8.309 7.977 0.332 18734 6914 1 16 . 1 1 55 55 PRO HA H 55 3.920 3.920 3.283 0.637 18734 6915 1 16 . 1 1 55 55 PRO CA C 55 61.140 61.140 64.292 -3.152 18734 6916 1 16 . 1 1 55 55 PRO CB C 55 30.606 30.606 31.848 -1.242 18734 6917 1 16 . 1 1 56 56 SER N N 56 108.966 108.966 114.623 -5.657 18734 6918 1 16 . 1 1 56 56 SER HA H 56 4.494 4.494 4.273 0.221 18734 6919 1 16 . 1 1 56 56 SER CA C 56 57.752 57.752 60.698 -2.946 18734 6920 1 16 . 1 1 56 56 SER CB C 56 60.574 60.574 62.378 -1.804 18734 6921 1 16 . 1 1 56 56 SER H H 56 7.998 7.998 8.749 -0.751 18734 6922 1 16 . 1 1 57 57 ALA N N 57 123.346 123.346 122.614 0.732 18734 6923 1 16 . 1 1 57 57 ALA HA H 57 4.197 4.197 4.214 -0.017 18734 6924 1 16 . 1 1 57 57 ALA CA C 57 49.452 49.452 53.083 -3.631 18734 6925 1 16 . 1 1 57 57 ALA CB C 57 17.341 17.341 19.506 -2.165 18734 6926 1 16 . 1 1 57 57 ALA H H 57 7.770 7.770 7.346 0.424 18734 6927 1 16 . 1 1 58 58 TYR N N 58 118.640 118.640 118.339 0.301 18734 6928 1 16 . 1 1 58 58 TYR HA H 58 4.844 4.844 4.721 0.123 18734 6929 1 16 . 1 1 58 58 TYR CA C 58 54.841 54.841 58.385 -3.544 18734 6930 1 16 . 1 1 58 58 TYR CB C 58 39.626 39.626 42.023 -2.397 18734 6931 1 16 . 1 1 58 58 TYR H H 58 7.878 7.878 7.910 -0.032 18734 6932 1 16 . 1 1 59 59 SER N N 59 118.841 118.841 114.030 4.811 18734 6933 1 16 . 1 1 59 59 SER HA H 59 4.584 4.584 4.667 -0.083 18734 6934 1 16 . 1 1 59 59 SER CA C 59 54.332 54.332 58.467 -4.135 18734 6935 1 16 . 1 1 59 59 SER CB C 59 62.866 62.866 65.951 -3.085 18734 6936 1 16 . 1 1 59 59 SER H H 59 9.289 9.289 8.858 0.431 18734 6937 1 16 . 1 1 60 60 ALA N N 60 125.034 125.034 125.410 -0.376 18734 6938 1 16 . 1 1 60 60 ALA HA H 60 4.726 4.726 4.905 -0.179 18734 6939 1 16 . 1 1 60 60 ALA CB C 60 20.233 20.233 20.129 0.104 18734 6940 1 16 . 1 1 60 60 ALA H H 60 7.473 7.473 8.607 -1.134 18734 6941 1 16 . 1 1 61 61 GLY N N 61 109.267 109.267 109.655 -0.388 18734 6942 1 16 . 1 1 61 61 GLY CA C 61 41.504 41.504 47.204 -5.700 18734 6943 1 16 . 1 1 61 61 GLY H H 61 9.368 9.368 8.110 1.258 18734 6944 1 16 . 1 1 62 62 ASP N N 62 121.898 121.898 122.350 -0.452 18734 6945 1 16 . 1 1 62 62 ASP HA H 62 4.673 4.673 4.897 -0.224 18734 6946 1 16 . 1 1 62 62 ASP CB C 62 38.468 38.468 42.931 -4.463 18734 6947 1 16 . 1 1 62 62 ASP H H 62 9.236 9.236 8.520 0.716 18734 6948 1 16 . 1 1 63 63 GLY N N 63 111.438 111.438 108.305 3.133 18734 6949 1 16 . 1 1 63 63 GLY CA C 63 43.099 43.099 44.838 -1.739 18734 6950 1 16 . 1 1 63 63 GLY H H 63 8.774 8.774 7.710 1.064 18734 6951 1 16 . 1 1 64 64 LEU N N 64 125.900 125.900 122.822 3.078 18734 6952 1 16 . 1 1 64 64 LEU HA H 64 4.169 4.169 4.177 -0.008 18734 6953 1 16 . 1 1 64 64 LEU CA C 64 56.103 56.103 57.531 -1.428 18734 6954 1 16 . 1 1 64 64 LEU CB C 64 40.431 40.431 42.543 -2.112 18734 6955 1 16 . 1 1 64 64 LEU H H 64 7.483 7.483 7.619 -0.136 18734 6956 1 16 . 1 1 65 65 ARG N N 65 111.696 111.696 115.676 -3.980 18734 6957 1 16 . 1 1 65 65 ARG HA H 65 4.057 4.057 4.583 -0.526 18734 6958 1 16 . 1 1 65 65 ARG CA C 65 51.787 51.787 55.405 -3.618 18734 6959 1 16 . 1 1 65 65 ARG CB C 65 26.474 26.474 28.763 -2.289 18734 6960 1 16 . 1 1 65 65 ARG H H 65 8.071 8.071 7.881 0.190 18734 6961 1 16 . 1 1 66 66 ASP N N 66 120.559 120.559 121.332 -0.773 18734 6962 1 16 . 1 1 66 66 ASP HA H 66 4.121 4.121 4.797 -0.676 18734 6963 1 16 . 1 1 66 66 ASP CA C 66 53.462 53.462 53.726 -0.264 18734 6964 1 16 . 1 1 66 66 ASP CB C 66 37.557 37.557 43.503 -5.946 18734 6965 1 16 . 1 1 66 66 ASP H H 66 7.293 7.293 7.845 -0.552 18734 6966 1 16 . 1 1 67 67 GLY N N 67 110.131 110.131 111.457 -1.326 18734 6967 1 16 . 1 1 67 67 GLY CA C 67 43.985 43.985 45.829 -1.844 18734 6968 1 16 . 1 1 67 67 GLY H H 67 8.695 8.695 8.604 0.091 18734 6969 1 16 . 1 1 68 68 ALA N N 68 123.462 123.462 120.328 3.134 18734 6970 1 16 . 1 1 68 68 ALA HA H 68 4.385 4.385 4.803 -0.418 18734 6971 1 16 . 1 1 68 68 ALA CA C 68 49.065 49.065 51.553 -2.488 18734 6972 1 16 . 1 1 68 68 ALA CB C 68 19.402 19.402 22.002 -2.600 18734 6973 1 16 . 1 1 68 68 ALA H H 68 8.058 8.058 7.406 0.652 18734 6974 1 16 . 1 1 69 69 ASP N N 69 116.343 116.343 118.741 -2.398 18734 6975 1 16 . 1 1 69 69 ASP HA H 69 4.524 4.524 4.567 -0.043 18734 6976 1 16 . 1 1 69 69 ASP CA C 69 51.240 51.240 53.410 -2.170 18734 6977 1 16 . 1 1 69 69 ASP CB C 69 39.076 39.076 42.825 -3.749 18734 6978 1 16 . 1 1 69 69 ASP H H 69 8.721 8.721 8.593 0.128 18734 6979 1 16 . 1 1 70 70 PHE N N 70 113.658 113.658 120.191 -6.533 18734 6980 1 16 . 1 1 70 70 PHE HA H 70 4.648 4.648 4.765 -0.117 18734 6981 1 16 . 1 1 70 70 PHE CA C 70 52.114 52.114 55.352 -3.238 18734 6982 1 16 . 1 1 70 70 PHE CB C 70 38.375 38.375 40.281 -1.906 18734 6983 1 16 . 1 1 70 70 PHE H H 70 5.865 5.865 7.212 -1.347 18734 6984 1 16 . 1 1 71 71 LEU N N 71 119.766 119.766 120.257 -0.491 18734 6985 1 16 . 1 1 71 71 LEU HA H 71 4.915 4.915 4.752 0.163 18734 6986 1 16 . 1 1 71 71 LEU CA C 71 50.797 50.797 53.471 -2.674 18734 6987 1 16 . 1 1 71 71 LEU CB C 71 41.482 41.482 46.690 -5.207 18734 6988 1 16 . 1 1 71 71 LEU H H 71 7.964 7.964 8.182 -0.218 18734 6989 1 16 . 1 1 72 72 ILE N N 72 123.675 123.675 121.533 2.142 18734 6990 1 16 . 1 1 72 72 ILE HA H 72 4.728 4.728 5.002 -0.274 18734 6991 1 16 . 1 1 72 72 ILE CB C 72 36.921 36.921 40.879 -3.958 18734 6992 1 16 . 1 1 72 72 ILE H H 72 9.073 9.073 8.931 0.142 18734 6993 1 16 . 1 1 73 73 CYS N N 73 125.409 125.409 126.140 -0.731 18734 6994 1 16 . 1 1 73 73 CYS HA H 73 5.534 5.534 5.530 0.004 18734 6995 1 16 . 1 1 73 73 CYS CA C 73 54.056 54.056 56.860 -2.804 18734 6996 1 16 . 1 1 73 73 CYS CB C 73 27.753 27.753 29.512 -1.759 18734 6997 1 16 . 1 1 73 73 CYS H H 73 9.060 9.060 8.962 0.098 18734 6998 1 16 . 1 1 74 74 VAL N N 74 114.408 114.408 119.475 -5.067 18734 6999 1 16 . 1 1 74 74 VAL HA H 74 4.951 4.951 4.725 0.226 18734 7000 1 16 . 1 1 74 74 VAL CA C 74 54.229 54.229 57.535 -3.305 18734 7001 1 16 . 1 1 74 74 VAL CB C 74 29.675 29.675 33.691 -4.016 18734 7002 1 16 . 1 1 74 74 VAL H H 74 7.938 7.938 8.768 -0.830 18734 7003 1 16 . 1 1 75 75 PRO HA H 75 4.283 4.283 4.456 -0.173 18734 7004 1 16 . 1 1 75 75 PRO CA C 75 60.889 60.889 62.588 -1.699 18734 7005 1 16 . 1 1 75 75 PRO CB C 75 29.499 29.499 32.166 -2.667 18734 7006 1 16 . 1 1 76 76 GLU N N 76 126.159 126.159 122.514 3.645 18734 7007 1 16 . 1 1 76 76 GLU HA H 76 3.664 3.664 3.875 -0.211 18734 7008 1 16 . 1 1 76 76 GLU CA C 76 58.112 58.112 59.688 -1.576 18734 7009 1 16 . 1 1 76 76 GLU CB C 76 26.894 26.894 28.906 -2.012 18734 7010 1 16 . 1 1 76 76 GLU H H 76 9.130 9.130 8.887 0.243 18734 7011 1 16 . 1 1 77 77 GLU N N 77 117.145 117.145 120.338 -3.193 18734 7012 1 16 . 1 1 77 77 GLU HA H 77 4.100 4.100 4.119 -0.019 18734 7013 1 16 . 1 1 77 77 GLU CA C 77 55.734 55.734 58.731 -2.998 18734 7014 1 16 . 1 1 77 77 GLU CB C 77 26.315 26.315 29.344 -3.029 18734 7015 1 16 . 1 1 77 77 GLU H H 77 9.350 9.350 8.835 0.515 18734 7016 1 16 . 1 1 78 78 ALA N N 78 120.398 120.398 120.627 -0.229 18734 7017 1 16 . 1 1 78 78 ALA HA H 78 4.699 4.699 4.472 0.227 18734 7018 1 16 . 1 1 78 78 ALA CB C 78 18.962 18.962 18.840 0.122 18734 7019 1 16 . 1 1 78 78 ALA H H 78 8.044 8.044 7.743 0.301 18734 7020 1 16 . 1 1 79 79 LEU N N 79 122.497 122.497 121.595 0.902 18734 7021 1 16 . 1 1 79 79 LEU HA H 79 3.710 3.710 3.887 -0.177 18734 7022 1 16 . 1 1 79 79 LEU CA C 79 56.837 56.837 58.507 -1.669 18734 7023 1 16 . 1 1 79 79 LEU CB C 79 40.952 40.952 41.821 -0.869 18734 7024 1 16 . 1 1 79 79 LEU H H 79 7.331 7.331 7.365 -0.034 18734 7025 1 16 . 1 1 80 80 ASP N N 80 116.432 116.432 118.017 -1.585 18734 7026 1 16 . 1 1 80 80 ASP HA H 80 4.357 4.357 4.339 0.018 18734 7027 1 16 . 1 1 80 80 ASP CA C 80 54.751 54.751 57.263 -2.512 18734 7028 1 16 . 1 1 80 80 ASP CB C 80 38.534 38.534 40.604 -2.070 18734 7029 1 16 . 1 1 80 80 ASP H H 80 8.305 8.305 8.537 -0.232 18734 7030 1 16 . 1 1 81 81 ARG N N 81 119.433 119.433 119.452 -0.019 18734 7031 1 16 . 1 1 81 81 ARG HA H 81 3.894 3.894 4.078 -0.184 18734 7032 1 16 . 1 1 81 81 ARG CA C 81 56.473 56.473 59.644 -3.171 18734 7033 1 16 . 1 1 81 81 ARG CB C 81 27.481 27.481 30.302 -2.821 18734 7034 1 16 . 1 1 81 81 ARG H H 81 7.638 7.638 8.025 -0.387 18734 7035 1 16 . 1 1 82 82 TYR N N 82 116.397 116.397 118.008 -1.611 18734 7036 1 16 . 1 1 82 82 TYR HA H 82 3.830 3.830 4.294 -0.464 18734 7037 1 16 . 1 1 82 82 TYR CA C 82 61.170 61.170 61.399 -0.229 18734 7038 1 16 . 1 1 82 82 TYR CB C 82 37.031 37.031 38.259 -1.228 18734 7039 1 16 . 1 1 82 82 TYR H H 82 8.198 8.198 8.612 -0.414 18734 7040 1 16 . 1 1 83 83 ARG N N 83 113.114 113.114 119.090 -5.976 18734 7041 1 16 . 1 1 83 83 ARG HA H 83 3.728 3.728 4.066 -0.338 18734 7042 1 16 . 1 1 83 83 ARG CA C 83 58.115 58.115 59.837 -1.722 18734 7043 1 16 . 1 1 83 83 ARG CB C 83 28.107 28.107 30.147 -2.040 18734 7044 1 16 . 1 1 83 83 ARG H H 83 8.151 8.151 8.080 0.071 18734 7045 1 16 . 1 1 84 84 ARG N N 84 111.791 111.791 115.526 -3.735 18734 7046 1 16 . 1 1 84 84 ARG HA H 84 4.386 4.386 4.277 0.109 18734 7047 1 16 . 1 1 84 84 ARG CA C 84 52.335 52.335 56.613 -4.278 18734 7048 1 16 . 1 1 84 84 ARG CB C 84 27.987 27.987 30.029 -2.042 18734 7049 1 16 . 1 1 84 84 ARG H H 84 7.571 7.571 7.929 -0.358 18734 7050 1 16 . 1 1 85 85 ASP N N 85 123.157 123.157 119.630 3.527 18734 7051 1 16 . 1 1 85 85 ASP HA H 85 4.373 4.373 4.633 -0.260 18734 7052 1 16 . 1 1 85 85 ASP CA C 85 52.852 52.852 54.376 -1.524 18734 7053 1 16 . 1 1 85 85 ASP CB C 85 42.482 42.482 42.234 0.248 18734 7054 1 16 . 1 1 85 85 ASP H H 85 7.200 7.200 7.727 -0.527 18734 7055 1 16 . 1 1 86 86 TYR N N 86 123.389 123.389 120.612 2.777 18734 7056 1 16 . 1 1 86 86 TYR HA H 86 4.092 4.092 4.340 -0.248 18734 7057 1 16 . 1 1 86 86 TYR CA C 86 58.674 58.674 61.294 -2.620 18734 7058 1 16 . 1 1 86 86 TYR CB C 86 35.801 35.801 39.181 -3.380 18734 7059 1 16 . 1 1 86 86 TYR H H 86 8.440 8.440 8.428 0.012 18734 7060 1 16 . 1 1 87 87 PHE N N 87 117.092 117.092 118.353 -1.261 18734 7061 1 16 . 1 1 87 87 PHE HA H 87 4.378 4.378 4.266 0.112 18734 7062 1 16 . 1 1 87 87 PHE CA C 87 57.433 57.433 60.217 -2.784 18734 7063 1 16 . 1 1 87 87 PHE CB C 87 37.442 37.442 39.858 -2.416 18734 7064 1 16 . 1 1 87 87 PHE H H 87 7.931 7.931 8.312 -0.381 18734 7065 1 16 . 1 1 88 88 TRP N N 88 121.396 121.396 118.902 2.494 18734 7066 1 16 . 1 1 88 88 TRP HA H 88 3.798 3.798 4.460 -0.662 18734 7067 1 16 . 1 1 88 88 TRP CA C 88 59.544 59.544 60.724 -1.180 18734 7068 1 16 . 1 1 88 88 TRP CB C 88 26.293 26.293 29.006 -2.713 18734 7069 1 16 . 1 1 88 88 TRP H H 88 9.757 9.757 8.889 0.868 18734 7070 1 16 . 1 1 89 89 GLN N N 89 117.760 117.760 118.979 -1.219 18734 7071 1 16 . 1 1 89 89 GLN HA H 89 4.393 4.393 3.936 0.457 18734 7072 1 16 . 1 1 89 89 GLN CA C 89 55.882 55.882 59.132 -3.250 18734 7073 1 16 . 1 1 89 89 GLN CB C 89 30.198 30.198 27.915 2.283 18734 7074 1 16 . 1 1 89 89 GLN H H 89 8.490 8.490 8.302 0.188 18734 7075 1 16 . 1 1 90 90 THR N N 90 118.285 118.285 114.825 3.460 18734 7076 1 16 . 1 1 90 90 THR HA H 90 3.686 3.686 3.955 -0.269 18734 7077 1 16 . 1 1 90 90 THR CA C 90 62.770 62.770 65.308 -2.538 18734 7078 1 16 . 1 1 90 90 THR CB C 90 66.664 66.664 68.654 -1.990 18734 7079 1 16 . 1 1 90 90 THR H H 90 7.932 7.932 8.082 -0.150 18734 7080 1 16 . 1 1 91 91 TYR N N 91 118.448 118.448 119.306 -0.858 18734 7081 1 16 . 1 1 91 91 TYR HA H 91 4.975 4.975 4.868 0.107 18734 7082 1 16 . 1 1 91 91 TYR CA C 91 55.511 55.511 58.332 -2.821 18734 7083 1 16 . 1 1 91 91 TYR CB C 91 37.126 37.126 37.889 -0.763 18734 7084 1 16 . 1 1 91 91 TYR H H 91 8.009 8.009 7.591 0.418 18734 7085 1 16 . 1 1 92 92 ALA N N 92 122.351 122.351 121.704 0.647 18734 7086 1 16 . 1 1 92 92 ALA HA H 92 3.843 3.843 4.331 -0.488 18734 7087 1 16 . 1 1 92 92 ALA CA C 92 54.108 54.108 53.293 0.815 18734 7088 1 16 . 1 1 92 92 ALA CB C 92 16.505 16.505 17.414 -0.909 18734 7089 1 16 . 1 1 92 92 ALA H H 92 7.665 7.665 7.619 0.046 18734 7090 1 16 . 1 1 93 93 ALA N N 93 117.548 117.548 121.063 -3.515 18734 7091 1 16 . 1 1 93 93 ALA HA H 93 3.702 3.702 3.920 -0.218 18734 7092 1 16 . 1 1 93 93 ALA CA C 93 51.371 51.371 52.936 -1.565 18734 7093 1 16 . 1 1 93 93 ALA CB C 93 14.292 14.292 18.239 -3.947 18734 7094 1 16 . 1 1 93 93 ALA H H 93 8.275 8.275 7.894 0.381 18734 7095 1 16 . 1 1 94 94 TRP N N 94 115.303 115.303 115.238 0.065 18734 7096 1 16 . 1 1 94 94 TRP HA H 94 4.669 4.669 4.934 -0.265 18734 7097 1 16 . 1 1 94 94 TRP CB C 94 26.912 26.912 30.164 -3.252 18734 7098 1 16 . 1 1 94 94 TRP H H 94 8.203 8.203 7.893 0.310 18734 7099 1 16 . 1 1 95 95 ILE N N 95 120.680 120.680 120.992 -0.312 18734 7100 1 16 . 1 1 95 95 ILE HA H 95 5.325 5.325 4.543 0.782 18734 7101 1 16 . 1 1 95 95 ILE CA C 95 57.930 57.930 61.218 -3.288 18734 7102 1 16 . 1 1 95 95 ILE CB C 95 36.508 36.508 38.940 -2.432 18734 7103 1 16 . 1 1 95 95 ILE H H 95 7.153 7.153 7.613 -0.460 18734 7104 1 16 . 1 1 96 96 GLN N N 96 128.223 128.223 125.307 2.916 18734 7105 1 16 . 1 1 96 96 GLN HA H 96 4.691 4.691 4.927 -0.236 18734 7106 1 16 . 1 1 96 96 GLN CB C 96 28.885 28.885 29.614 -0.729 18734 7107 1 16 . 1 1 96 96 GLN H H 96 9.189 9.189 8.781 0.408 18734 7108 1 16 . 1 1 97 97 PRO HA H 97 4.833 4.833 4.868 -0.035 18734 7109 1 16 . 1 1 97 97 PRO CA C 97 59.122 59.122 62.657 -3.535 18734 7110 1 16 . 1 1 97 97 PRO CB C 97 29.515 29.515 32.700 -3.185 18734 7111 1 16 . 1 1 98 98 MET N N 98 120.815 120.815 119.376 1.439 18734 7112 1 16 . 1 1 98 98 MET HA H 98 4.116 4.116 4.681 -0.565 18734 7113 1 16 . 1 1 98 98 MET CA C 98 52.944 52.944 56.117 -3.173 18734 7114 1 16 . 1 1 98 98 MET CB C 98 30.981 30.981 34.341 -3.360 18734 7115 1 16 . 1 1 98 98 MET H H 98 8.551 8.551 7.959 0.592 18734 7116 1 16 . 1 1 99 99 GLU N N 99 124.677 124.677 119.025 5.652 18734 7117 1 16 . 1 1 99 99 GLU HA H 99 4.220 4.220 4.540 -0.320 18734 7118 1 16 . 1 1 99 99 GLU CA C 99 53.952 53.952 55.718 -1.766 18734 7119 1 16 . 1 1 99 99 GLU CB C 99 27.803 27.803 32.028 -4.225 18734 7120 1 16 . 1 1 99 99 GLU H H 99 8.532 8.532 8.400 0.132 18734 7121 1 17 . 1 1 2 2 SER HA H 2 4.373 4.373 4.574 -0.201 18734 7122 1 17 . 1 1 2 2 SER CA C 2 55.756 55.756 58.007 -2.251 18734 7123 1 17 . 1 1 2 2 SER CB C 2 61.143 61.143 64.811 -3.668 18734 7124 1 17 . 1 1 3 3 HIS HA H 3 4.613 4.613 4.984 -0.371 18734 7125 1 17 . 1 1 3 3 HIS CA C 3 52.991 52.991 55.749 -2.758 18734 7126 1 17 . 1 1 3 3 HIS CB C 3 26.607 26.607 29.672 -3.065 18734 7127 1 17 . 1 1 4 4 GLU N N 4 122.124 122.124 120.067 2.057 18734 7128 1 17 . 1 1 4 4 GLU HA H 4 4.171 4.171 4.388 -0.217 18734 7129 1 17 . 1 1 4 4 GLU CA C 4 54.441 54.441 56.369 -1.928 18734 7130 1 17 . 1 1 4 4 GLU CB C 4 27.585 27.585 31.914 -4.329 18734 7131 1 17 . 1 1 4 4 GLU H H 4 8.415 8.415 7.681 0.734 18734 7132 1 17 . 1 1 5 5 GLY N N 5 110.434 110.434 110.555 -0.121 18734 7133 1 17 . 1 1 5 5 GLY CA C 5 42.610 42.610 44.911 -2.301 18734 7134 1 17 . 1 1 5 5 GLY H H 5 8.488 8.488 8.427 0.061 18734 7135 1 17 . 1 1 6 6 GLU N N 6 121.376 121.376 122.500 -1.124 18734 7136 1 17 . 1 1 6 6 GLU HA H 6 4.560 4.560 4.540 0.020 18734 7137 1 17 . 1 1 6 6 GLU CA C 6 51.629 51.629 53.539 -1.910 18734 7138 1 17 . 1 1 6 6 GLU CB C 6 26.998 26.998 29.417 -2.419 18734 7139 1 17 . 1 1 6 6 GLU H H 6 7.954 7.954 8.496 -0.542 18734 7140 1 17 . 1 1 7 7 PRO HA H 7 4.464 4.464 4.129 0.335 18734 7141 1 17 . 1 1 7 7 PRO CA C 7 60.517 60.517 62.903 -2.386 18734 7142 1 17 . 1 1 7 7 PRO CB C 7 29.486 29.486 31.221 -1.735 18734 7143 1 17 . 1 1 8 8 VAL N N 8 120.493 120.493 121.000 -0.507 18734 7144 1 17 . 1 1 8 8 VAL HA H 8 4.387 4.387 4.139 0.248 18734 7145 1 17 . 1 1 8 8 VAL CA C 8 58.483 58.483 59.850 -1.367 18734 7146 1 17 . 1 1 8 8 VAL CB C 8 31.177 31.177 35.475 -4.298 18734 7147 1 17 . 1 1 8 8 VAL H H 8 8.177 8.177 7.442 0.735 18734 7148 1 17 . 1 1 9 9 VAL N N 9 124.516 124.516 124.795 -0.279 18734 7149 1 17 . 1 1 9 9 VAL HA H 9 4.024 4.024 4.351 -0.327 18734 7150 1 17 . 1 1 9 9 VAL CA C 9 60.336 60.336 62.473 -2.137 18734 7151 1 17 . 1 1 9 9 VAL CB C 9 29.995 29.995 29.447 0.548 18734 7152 1 17 . 1 1 9 9 VAL H H 9 8.246 8.246 8.846 -0.600 18734 7153 1 17 . 1 1 10 10 GLY N N 10 114.968 114.968 114.204 0.764 18734 7154 1 17 . 1 1 10 10 GLY CA C 10 42.318 42.318 43.769 -1.451 18734 7155 1 17 . 1 1 10 10 GLY H H 10 8.595 8.595 7.798 0.797 18734 7156 1 17 . 1 1 11 11 MET N N 11 120.532 120.532 118.108 2.424 18734 7157 1 17 . 1 1 11 11 MET CA C 11 53.802 53.802 58.123 -4.321 18734 7158 1 17 . 1 1 11 11 MET CB C 11 30.698 30.698 32.419 -1.721 18734 7159 1 17 . 1 1 11 11 MET H H 11 8.320 8.320 8.482 -0.162 18734 7160 1 17 . 1 1 12 12 ASP N N 12 120.515 120.515 119.205 1.310 18734 7161 1 17 . 1 1 12 12 ASP HA H 12 4.637 4.637 4.686 -0.049 18734 7162 1 17 . 1 1 12 12 ASP CB C 12 38.090 38.090 41.510 -3.420 18734 7163 1 17 . 1 1 12 12 ASP H H 12 8.261 8.261 8.169 0.092 18734 7164 1 17 . 1 1 13 13 LYS N N 13 123.685 123.685 127.538 -3.853 18734 7165 1 17 . 1 1 13 13 LYS HA H 13 4.623 4.623 4.687 -0.064 18734 7166 1 17 . 1 1 13 13 LYS CA C 13 50.898 50.898 56.350 -5.452 18734 7167 1 17 . 1 1 13 13 LYS CB C 13 30.003 30.003 30.384 -0.381 18734 7168 1 17 . 1 1 13 13 LYS H H 13 8.579 8.579 8.696 -0.117 18734 7169 1 17 . 1 1 14 14 SER N N 14 115.048 115.048 116.739 -1.691 18734 7170 1 17 . 1 1 14 14 SER HA H 14 4.447 4.447 4.888 -0.441 18734 7171 1 17 . 1 1 14 14 SER CA C 14 56.917 56.917 58.882 -1.965 18734 7172 1 17 . 1 1 14 14 SER CB C 14 61.536 61.536 65.044 -3.508 18734 7173 1 17 . 1 1 14 14 SER H H 14 8.507 8.507 8.473 0.034 18734 7174 1 17 . 1 1 15 15 LEU N N 15 119.294 119.294 122.139 -2.845 18734 7175 1 17 . 1 1 15 15 LEU HA H 15 3.989 3.989 4.581 -0.592 18734 7176 1 17 . 1 1 15 15 LEU CA C 15 53.219 53.219 54.792 -1.573 18734 7177 1 17 . 1 1 15 15 LEU CB C 15 39.813 39.813 41.737 -1.924 18734 7178 1 17 . 1 1 15 15 LEU H H 15 6.908 6.908 8.419 -1.511 18734 7179 1 17 . 1 1 16 16 PHE N N 16 117.103 117.103 120.838 -3.735 18734 7180 1 17 . 1 1 16 16 PHE HA H 16 4.397 4.397 4.603 -0.206 18734 7181 1 17 . 1 1 16 16 PHE CA C 16 56.719 56.719 59.131 -2.412 18734 7182 1 17 . 1 1 16 16 PHE CB C 16 37.917 37.917 39.462 -1.545 18734 7183 1 17 . 1 1 16 16 PHE H H 16 7.658 7.658 8.110 -0.452 18734 7184 1 17 . 1 1 17 17 ALA N N 17 120.694 120.694 120.399 0.295 18734 7185 1 17 . 1 1 17 17 ALA HA H 17 3.964 3.964 4.482 -0.518 18734 7186 1 17 . 1 1 17 17 ALA CA C 17 51.840 51.840 52.180 -0.340 18734 7187 1 17 . 1 1 17 17 ALA CB C 17 15.004 15.004 17.268 -2.264 18734 7188 1 17 . 1 1 17 17 ALA H H 17 7.514 7.514 7.937 -0.423 18734 7189 1 17 . 1 1 18 18 GLY N N 18 110.007 110.007 106.313 3.694 18734 7190 1 17 . 1 1 18 18 GLY CA C 18 43.150 43.150 44.850 -1.700 18734 7191 1 17 . 1 1 18 18 GLY H H 18 8.204 8.204 7.866 0.338 18734 7192 1 17 . 1 1 19 19 ASN N N 19 119.323 119.323 119.497 -0.174 18734 7193 1 17 . 1 1 19 19 ASN HA H 19 4.733 4.733 4.991 -0.258 18734 7194 1 17 . 1 1 19 19 ASN CB C 19 36.020 36.020 40.344 -4.324 18734 7195 1 17 . 1 1 19 19 ASN H H 19 8.124 8.124 7.609 0.515 18734 7196 1 17 . 1 1 20 20 THR N N 20 116.844 116.844 116.160 0.684 18734 7197 1 17 . 1 1 20 20 THR HA H 20 4.243 4.243 4.253 -0.010 18734 7198 1 17 . 1 1 20 20 THR CA C 20 60.224 60.224 62.368 -2.144 18734 7199 1 17 . 1 1 20 20 THR CB C 20 66.167 66.167 68.454 -2.287 18734 7200 1 17 . 1 1 20 20 THR H H 20 8.400 8.400 8.708 -0.308 18734 7201 1 17 . 1 1 21 21 VAL N N 21 117.661 117.661 118.292 -0.631 18734 7202 1 17 . 1 1 21 21 VAL HA H 21 4.161 4.161 4.205 -0.044 18734 7203 1 17 . 1 1 21 21 VAL CA C 21 59.739 59.739 61.130 -1.391 18734 7204 1 17 . 1 1 21 21 VAL CB C 21 31.224 31.224 32.925 -1.701 18734 7205 1 17 . 1 1 21 21 VAL H H 21 8.412 8.412 7.476 0.936 18734 7206 1 17 . 1 1 22 22 ILE N N 22 120.465 120.465 123.635 -3.170 18734 7207 1 17 . 1 1 22 22 ILE HA H 22 3.873 3.873 4.213 -0.340 18734 7208 1 17 . 1 1 22 22 ILE CA C 22 59.860 59.860 60.459 -0.599 18734 7209 1 17 . 1 1 22 22 ILE CB C 22 37.052 37.052 37.421 -0.369 18734 7210 1 17 . 1 1 22 22 ILE H H 22 7.300 7.300 7.499 -0.199 18734 7211 1 17 . 1 1 23 23 ARG N N 23 122.168 122.168 126.992 -4.824 18734 7212 1 17 . 1 1 23 23 ARG HA H 23 4.940 4.940 4.402 0.538 18734 7213 1 17 . 1 1 23 23 ARG CA C 23 54.175 54.175 57.679 -3.505 18734 7214 1 17 . 1 1 23 23 ARG CB C 23 30.921 30.921 30.916 0.005 18734 7215 1 17 . 1 1 23 23 ARG H H 23 8.328 8.328 8.413 -0.085 18734 7216 1 17 . 1 1 24 24 GLU N N 24 117.968 117.968 117.012 0.956 18734 7217 1 17 . 1 1 24 24 GLU HA H 24 5.100 5.100 4.930 0.170 18734 7218 1 17 . 1 1 24 24 GLU CA C 24 51.948 51.948 54.937 -2.989 18734 7219 1 17 . 1 1 24 24 GLU CB C 24 30.737 30.737 33.288 -2.551 18734 7220 1 17 . 1 1 24 24 GLU H H 24 7.474 7.474 7.709 -0.235 18734 7221 1 17 . 1 1 25 25 ILE N N 25 121.135 121.135 124.861 -3.726 18734 7222 1 17 . 1 1 25 25 ILE HA H 25 4.205 4.205 4.443 -0.238 18734 7223 1 17 . 1 1 25 25 ILE CA C 25 57.149 57.149 60.025 -2.876 18734 7224 1 17 . 1 1 25 25 ILE CB C 25 39.882 39.882 39.577 0.305 18734 7225 1 17 . 1 1 25 25 ILE H H 25 7.591 7.591 8.285 -0.694 18734 7226 1 17 . 1 1 26 26 THR N N 26 122.935 122.935 123.728 -0.793 18734 7227 1 17 . 1 1 26 26 THR HA H 26 4.999 4.999 4.321 0.678 18734 7228 1 17 . 1 1 26 26 THR CA C 26 59.185 59.185 64.696 -5.511 18734 7229 1 17 . 1 1 26 26 THR CB C 26 67.259 67.259 69.308 -2.049 18734 7230 1 17 . 1 1 26 26 THR H H 26 8.243 8.243 8.558 -0.315 18734 7231 1 17 . 1 1 27 27 VAL N N 27 124.220 124.220 122.826 1.394 18734 7232 1 17 . 1 1 27 27 VAL HA H 27 4.421 4.421 4.523 -0.102 18734 7233 1 17 . 1 1 27 27 VAL CA C 27 58.144 58.144 60.015 -1.871 18734 7234 1 17 . 1 1 27 27 VAL CB C 27 30.727 30.727 35.544 -4.817 18734 7235 1 17 . 1 1 27 27 VAL H H 27 9.216 9.216 8.212 1.004 18734 7236 1 17 . 1 1 28 28 GLN N N 28 129.280 129.280 120.485 8.795 18734 7237 1 17 . 1 1 28 28 GLN HA H 28 4.702 4.702 5.297 -0.595 18734 7238 1 17 . 1 1 28 28 GLN CB C 28 25.480 25.480 30.738 -5.258 18734 7239 1 17 . 1 1 28 28 GLN H H 28 8.782 8.782 8.647 0.135 18734 7240 1 17 . 1 1 29 29 PRO HA H 29 3.457 3.457 3.188 0.269 18734 7241 1 17 . 1 1 29 29 PRO CA C 29 60.712 60.712 62.755 -2.043 18734 7242 1 17 . 1 1 29 29 PRO CB C 29 30.122 30.122 32.125 -2.003 18734 7243 1 17 . 1 1 30 30 ASN N N 30 113.396 113.396 117.617 -4.221 18734 7244 1 17 . 1 1 30 30 ASN HA H 30 4.329 4.329 4.150 0.179 18734 7245 1 17 . 1 1 30 30 ASN CA C 30 51.999 51.999 54.550 -2.551 18734 7246 1 17 . 1 1 30 30 ASN CB C 30 34.627 34.627 37.482 -2.855 18734 7247 1 17 . 1 1 30 30 ASN H H 30 8.199 8.199 8.333 -0.134 18734 7248 1 17 . 1 1 31 31 ILE N N 31 115.907 115.907 120.152 -4.245 18734 7249 1 17 . 1 1 31 31 ILE HA H 31 4.395 4.395 4.373 0.022 18734 7250 1 17 . 1 1 31 31 ILE CA C 31 57.434 57.434 59.820 -2.386 18734 7251 1 17 . 1 1 31 31 ILE CB C 31 36.859 36.859 37.597 -0.738 18734 7252 1 17 . 1 1 31 31 ILE H H 31 8.201 8.201 8.102 0.099 18734 7253 1 17 . 1 1 32 32 GLY N N 32 111.217 111.217 110.054 1.163 18734 7254 1 17 . 1 1 32 32 GLY CA C 32 41.729 41.729 44.702 -2.973 18734 7255 1 17 . 1 1 32 32 GLY H H 32 7.998 7.998 7.995 0.003 18734 7256 1 17 . 1 1 33 33 LEU N N 33 120.007 120.007 120.223 -0.216 18734 7257 1 17 . 1 1 33 33 LEU HA H 33 3.880 3.880 4.719 -0.839 18734 7258 1 17 . 1 1 33 33 LEU CA C 33 53.595 53.595 53.967 -0.372 18734 7259 1 17 . 1 1 33 33 LEU CB C 33 40.528 40.528 43.966 -3.438 18734 7260 1 17 . 1 1 33 33 LEU H H 33 7.820 7.820 8.399 -0.579 18734 7261 1 17 . 1 1 34 34 LEU N N 34 128.106 128.106 129.358 -1.252 18734 7262 1 17 . 1 1 34 34 LEU HA H 34 4.485 4.485 4.128 0.357 18734 7263 1 17 . 1 1 34 34 LEU CA C 34 51.078 51.078 53.988 -2.910 18734 7264 1 17 . 1 1 34 34 LEU CB C 34 37.447 37.447 39.359 -1.912 18734 7265 1 17 . 1 1 34 34 LEU H H 34 8.551 8.551 8.750 -0.199 18734 7266 1 17 . 1 1 35 35 TYR N N 35 121.473 121.473 119.665 1.808 18734 7267 1 17 . 1 1 35 35 TYR HA H 35 4.240 4.240 4.352 -0.112 18734 7268 1 17 . 1 1 35 35 TYR CA C 35 53.814 53.814 56.004 -2.190 18734 7269 1 17 . 1 1 35 35 TYR CB C 35 36.868 36.868 38.936 -2.068 18734 7270 1 17 . 1 1 35 35 TYR H H 35 6.363 6.363 7.759 -1.396 18734 7271 1 17 . 1 1 36 36 ASP N N 36 119.590 119.590 119.978 -0.388 18734 7272 1 17 . 1 1 36 36 ASP HA H 36 3.980 3.980 4.659 -0.679 18734 7273 1 17 . 1 1 36 36 ASP CA C 36 52.760 52.760 54.166 -1.406 18734 7274 1 17 . 1 1 36 36 ASP CB C 36 37.119 37.119 39.599 -2.480 18734 7275 1 17 . 1 1 36 36 ASP H H 36 8.573 8.573 8.568 0.005 18734 7276 1 17 . 1 1 37 37 GLY N N 37 108.636 108.636 112.322 -3.686 18734 7277 1 17 . 1 1 37 37 GLY CA C 37 44.335 44.335 45.030 -0.695 18734 7278 1 17 . 1 1 37 37 GLY H H 37 7.903 7.903 8.333 -0.430 18734 7279 1 17 . 1 1 38 38 MET N N 38 120.339 120.339 121.092 -0.753 18734 7280 1 17 . 1 1 38 38 MET HA H 38 3.631 3.631 3.710 -0.079 18734 7281 1 17 . 1 1 38 38 MET CA C 38 56.101 56.101 58.160 -2.059 18734 7282 1 17 . 1 1 38 38 MET CB C 38 29.166 29.166 31.540 -2.374 18734 7283 1 17 . 1 1 38 38 MET H H 38 7.873 7.873 7.010 0.863 18734 7284 1 17 . 1 1 39 39 PHE N N 39 115.430 115.430 110.246 5.184 18734 7285 1 17 . 1 1 39 39 PHE HA H 39 4.908 4.908 4.883 0.025 18734 7286 1 17 . 1 1 39 39 PHE CA C 39 52.898 52.898 54.063 -1.165 18734 7287 1 17 . 1 1 39 39 PHE CB C 39 36.647 36.647 38.072 -1.425 18734 7288 1 17 . 1 1 39 39 PHE H H 39 8.504 8.504 7.433 1.071 18734 7289 1 17 . 1 1 40 40 SER N N 40 113.647 113.647 117.383 -3.736 18734 7290 1 17 . 1 1 40 40 SER HA H 40 4.238 4.238 4.373 -0.135 18734 7291 1 17 . 1 1 40 40 SER CA C 40 56.954 56.954 59.820 -2.866 18734 7292 1 17 . 1 1 40 40 SER CB C 40 60.458 60.458 62.176 -1.718 18734 7293 1 17 . 1 1 40 40 SER H H 40 7.264 7.264 7.874 -0.610 18734 7294 1 17 . 1 1 41 41 GLY N N 41 115.225 115.225 116.150 -0.925 18734 7295 1 17 . 1 1 41 41 GLY CA C 41 42.941 42.941 44.990 -2.050 18734 7296 1 17 . 1 1 41 41 GLY H H 41 9.110 9.110 8.707 0.403 18734 7297 1 17 . 1 1 42 42 CYS N N 42 120.385 120.385 123.665 -3.280 18734 7298 1 17 . 1 1 42 42 CYS HA H 42 4.761 4.761 4.582 0.179 18734 7299 1 17 . 1 1 42 42 CYS CB C 42 23.867 23.867 25.065 -1.198 18734 7300 1 17 . 1 1 42 42 CYS H H 42 7.929 7.929 8.497 -0.568 18734 7301 1 17 . 1 1 43 43 THR N N 43 113.920 113.920 116.676 -2.756 18734 7302 1 17 . 1 1 43 43 THR HA H 43 3.863 3.863 4.114 -0.251 18734 7303 1 17 . 1 1 43 43 THR CA C 43 61.663 61.663 64.353 -2.690 18734 7304 1 17 . 1 1 43 43 THR CB C 43 66.027 66.027 69.041 -3.014 18734 7305 1 17 . 1 1 43 43 THR H H 43 7.495 7.495 8.053 -0.558 18734 7306 1 17 . 1 1 44 44 ALA N N 44 123.479 123.479 123.368 0.111 18734 7307 1 17 . 1 1 44 44 ALA HA H 44 4.477 4.477 4.605 -0.128 18734 7308 1 17 . 1 1 44 44 ALA CA C 44 48.198 48.198 51.198 -3.000 18734 7309 1 17 . 1 1 44 44 ALA CB C 44 17.096 17.096 19.376 -2.280 18734 7310 1 17 . 1 1 44 44 ALA H H 44 8.551 8.551 8.131 0.420 18734 7311 1 17 . 1 1 45 45 LEU N N 45 121.070 121.070 121.341 -0.271 18734 7312 1 17 . 1 1 45 45 LEU HA H 45 3.981 3.981 4.869 -0.888 18734 7313 1 17 . 1 1 45 45 LEU CA C 45 53.838 53.838 53.751 0.087 18734 7314 1 17 . 1 1 45 45 LEU CB C 45 40.243 40.243 42.939 -2.696 18734 7315 1 17 . 1 1 45 45 LEU H H 45 6.819 6.819 7.639 -0.820 18734 7316 1 17 . 1 1 46 46 GLU N N 46 128.627 128.627 124.468 4.159 18734 7317 1 17 . 1 1 46 46 GLU HA H 46 4.511 4.511 4.577 -0.066 18734 7318 1 17 . 1 1 46 46 GLU CA C 46 54.357 54.357 56.093 -1.736 18734 7319 1 17 . 1 1 46 46 GLU CB C 46 29.883 29.883 31.312 -1.429 18734 7320 1 17 . 1 1 46 46 GLU H H 46 9.401 9.401 8.773 0.628 18734 7321 1 17 . 1 1 47 47 LYS N N 47 116.297 116.297 119.597 -3.300 18734 7322 1 17 . 1 1 47 47 LYS HA H 47 5.128 5.128 5.068 0.060 18734 7323 1 17 . 1 1 47 47 LYS CA C 47 52.808 52.808 55.303 -2.495 18734 7324 1 17 . 1 1 47 47 LYS CB C 47 35.325 35.325 37.154 -1.829 18734 7325 1 17 . 1 1 47 47 LYS H H 47 7.171 7.171 8.130 -0.959 18734 7326 1 17 . 1 1 48 48 LEU N N 48 125.474 125.474 122.853 2.621 18734 7327 1 17 . 1 1 48 48 LEU HA H 48 4.403 4.403 4.890 -0.487 18734 7328 1 17 . 1 1 48 48 LEU CA C 48 50.489 50.489 54.574 -4.085 18734 7329 1 17 . 1 1 48 48 LEU CB C 48 41.991 41.991 46.189 -4.198 18734 7330 1 17 . 1 1 48 48 LEU H H 48 8.715 8.715 8.734 -0.019 18734 7331 1 17 . 1 1 49 49 ILE N N 49 127.246 127.246 122.494 4.752 18734 7332 1 17 . 1 1 49 49 ILE HA H 49 4.145 4.145 4.920 -0.775 18734 7333 1 17 . 1 1 49 49 ILE CA C 49 58.314 58.314 59.409 -1.095 18734 7334 1 17 . 1 1 49 49 ILE CB C 49 36.125 36.125 42.061 -5.936 18734 7335 1 17 . 1 1 49 49 ILE H H 49 9.131 9.131 8.527 0.604 18734 7336 1 17 . 1 1 50 50 LEU N N 50 128.685 128.685 122.106 6.579 18734 7337 1 17 . 1 1 50 50 LEU HA H 50 4.417 4.417 5.028 -0.611 18734 7338 1 17 . 1 1 50 50 LEU CA C 50 50.414 50.414 53.934 -3.520 18734 7339 1 17 . 1 1 50 50 LEU CB C 50 36.390 36.390 44.905 -8.515 18734 7340 1 17 . 1 1 50 50 LEU H H 50 8.553 8.553 8.363 0.190 18734 7341 1 17 . 1 1 51 51 THR N N 51 109.751 109.751 113.731 -3.980 18734 7342 1 17 . 1 1 51 51 THR HA H 51 3.935 3.935 4.472 -0.537 18734 7343 1 17 . 1 1 51 51 THR CA C 51 60.194 60.194 61.657 -1.463 18734 7344 1 17 . 1 1 51 51 THR CB C 51 66.107 66.107 68.189 -2.082 18734 7345 1 17 . 1 1 51 51 THR H H 51 6.964 6.964 8.742 -1.778 18734 7346 1 17 . 1 1 52 52 GLY N N 52 108.656 108.656 109.854 -1.198 18734 7347 1 17 . 1 1 52 52 GLY CA C 52 42.432 42.432 44.324 -1.891 18734 7348 1 17 . 1 1 52 52 GLY H H 52 8.409 8.409 7.448 0.961 18734 7349 1 17 . 1 1 53 53 GLU N N 53 119.733 119.733 119.055 0.678 18734 7350 1 17 . 1 1 53 53 GLU HA H 53 4.061 4.061 4.573 -0.512 18734 7351 1 17 . 1 1 53 53 GLU CA C 53 54.296 54.296 55.919 -1.623 18734 7352 1 17 . 1 1 53 53 GLU CB C 53 27.425 27.425 31.089 -3.664 18734 7353 1 17 . 1 1 53 53 GLU H H 53 8.741 8.741 8.913 -0.172 18734 7354 1 17 . 1 1 54 54 ASP N N 54 118.231 118.231 116.541 1.690 18734 7355 1 17 . 1 1 54 54 ASP HA H 54 5.035 5.035 4.440 0.595 18734 7356 1 17 . 1 1 54 54 ASP CA C 54 46.882 46.882 51.187 -4.305 18734 7357 1 17 . 1 1 54 54 ASP CB C 54 39.822 39.822 43.483 -3.662 18734 7358 1 17 . 1 1 54 54 ASP H H 54 8.309 8.309 7.438 0.871 18734 7359 1 17 . 1 1 55 55 PRO HA H 55 3.920 3.920 4.186 -0.266 18734 7360 1 17 . 1 1 55 55 PRO CA C 55 61.140 61.140 64.709 -3.569 18734 7361 1 17 . 1 1 55 55 PRO CB C 55 30.606 30.606 32.287 -1.681 18734 7362 1 17 . 1 1 56 56 SER N N 56 108.966 108.966 114.957 -5.991 18734 7363 1 17 . 1 1 56 56 SER HA H 56 4.494 4.494 4.508 -0.014 18734 7364 1 17 . 1 1 56 56 SER CA C 56 57.752 57.752 59.682 -1.930 18734 7365 1 17 . 1 1 56 56 SER CB C 56 60.574 60.574 62.950 -2.376 18734 7366 1 17 . 1 1 56 56 SER H H 56 7.998 7.998 8.370 -0.372 18734 7367 1 17 . 1 1 57 57 ALA N N 57 123.346 123.346 122.318 1.028 18734 7368 1 17 . 1 1 57 57 ALA HA H 57 4.197 4.197 4.272 -0.075 18734 7369 1 17 . 1 1 57 57 ALA CA C 57 49.452 49.452 52.496 -3.044 18734 7370 1 17 . 1 1 57 57 ALA CB C 57 17.341 17.341 19.515 -2.174 18734 7371 1 17 . 1 1 57 57 ALA H H 57 7.770 7.770 7.603 0.167 18734 7372 1 17 . 1 1 58 58 TYR N N 58 118.640 118.640 116.826 1.814 18734 7373 1 17 . 1 1 58 58 TYR HA H 58 4.844 4.844 4.827 0.017 18734 7374 1 17 . 1 1 58 58 TYR CA C 58 54.841 54.841 58.292 -3.451 18734 7375 1 17 . 1 1 58 58 TYR CB C 58 39.626 39.626 42.993 -3.368 18734 7376 1 17 . 1 1 58 58 TYR H H 58 7.878 7.878 7.729 0.149 18734 7377 1 17 . 1 1 59 59 SER N N 59 118.841 118.841 115.741 3.100 18734 7378 1 17 . 1 1 59 59 SER HA H 59 4.584 4.584 4.981 -0.397 18734 7379 1 17 . 1 1 59 59 SER CA C 59 54.332 54.332 57.740 -3.408 18734 7380 1 17 . 1 1 59 59 SER CB C 59 62.866 62.866 65.672 -2.806 18734 7381 1 17 . 1 1 59 59 SER H H 59 9.289 9.289 8.703 0.586 18734 7382 1 17 . 1 1 60 60 ALA N N 60 125.034 125.034 121.743 3.291 18734 7383 1 17 . 1 1 60 60 ALA HA H 60 4.726 4.726 4.842 -0.116 18734 7384 1 17 . 1 1 60 60 ALA CB C 60 20.233 20.233 20.916 -0.683 18734 7385 1 17 . 1 1 60 60 ALA H H 60 7.473 7.473 8.375 -0.902 18734 7386 1 17 . 1 1 61 61 GLY N N 61 109.267 109.267 106.726 2.541 18734 7387 1 17 . 1 1 61 61 GLY CA C 61 41.504 41.504 45.129 -3.625 18734 7388 1 17 . 1 1 61 61 GLY H H 61 9.368 9.368 8.285 1.083 18734 7389 1 17 . 1 1 62 62 ASP N N 62 121.898 121.898 122.131 -0.233 18734 7390 1 17 . 1 1 62 62 ASP HA H 62 4.673 4.673 4.627 0.046 18734 7391 1 17 . 1 1 62 62 ASP CB C 62 38.468 38.468 40.984 -2.516 18734 7392 1 17 . 1 1 62 62 ASP H H 62 9.236 9.236 8.520 0.716 18734 7393 1 17 . 1 1 63 63 GLY N N 63 111.438 111.438 106.175 5.263 18734 7394 1 17 . 1 1 63 63 GLY CA C 63 43.099 43.099 44.705 -1.606 18734 7395 1 17 . 1 1 63 63 GLY H H 63 8.774 8.774 7.584 1.190 18734 7396 1 17 . 1 1 64 64 LEU N N 64 125.900 125.900 123.577 2.323 18734 7397 1 17 . 1 1 64 64 LEU HA H 64 4.169 4.169 3.934 0.235 18734 7398 1 17 . 1 1 64 64 LEU CA C 64 56.103 56.103 57.228 -1.125 18734 7399 1 17 . 1 1 64 64 LEU CB C 64 40.431 40.431 42.170 -1.739 18734 7400 1 17 . 1 1 64 64 LEU H H 64 7.483 7.483 7.608 -0.125 18734 7401 1 17 . 1 1 65 65 ARG N N 65 111.696 111.696 111.859 -0.163 18734 7402 1 17 . 1 1 65 65 ARG HA H 65 4.057 4.057 4.711 -0.654 18734 7403 1 17 . 1 1 65 65 ARG CA C 65 51.787 51.787 53.983 -2.196 18734 7404 1 17 . 1 1 65 65 ARG CB C 65 26.474 26.474 29.240 -2.766 18734 7405 1 17 . 1 1 65 65 ARG H H 65 8.071 8.071 7.746 0.325 18734 7406 1 17 . 1 1 66 66 ASP N N 66 120.559 120.559 123.701 -3.142 18734 7407 1 17 . 1 1 66 66 ASP HA H 66 4.121 4.121 4.441 -0.320 18734 7408 1 17 . 1 1 66 66 ASP CA C 66 53.462 53.462 56.833 -3.371 18734 7409 1 17 . 1 1 66 66 ASP CB C 66 37.557 37.557 41.526 -3.969 18734 7410 1 17 . 1 1 66 66 ASP H H 66 7.293 7.293 7.767 -0.474 18734 7411 1 17 . 1 1 67 67 GLY N N 67 110.131 110.131 111.383 -1.252 18734 7412 1 17 . 1 1 67 67 GLY CA C 67 43.985 43.985 45.491 -1.506 18734 7413 1 17 . 1 1 67 67 GLY H H 67 8.695 8.695 8.537 0.158 18734 7414 1 17 . 1 1 68 68 ALA N N 68 123.462 123.462 121.685 1.777 18734 7415 1 17 . 1 1 68 68 ALA HA H 68 4.385 4.385 4.813 -0.428 18734 7416 1 17 . 1 1 68 68 ALA CA C 68 49.065 49.065 51.317 -2.252 18734 7417 1 17 . 1 1 68 68 ALA CB C 68 19.402 19.402 22.229 -2.827 18734 7418 1 17 . 1 1 68 68 ALA H H 68 8.058 8.058 7.870 0.188 18734 7419 1 17 . 1 1 69 69 ASP N N 69 116.343 116.343 119.034 -2.691 18734 7420 1 17 . 1 1 69 69 ASP HA H 69 4.524 4.524 4.697 -0.173 18734 7421 1 17 . 1 1 69 69 ASP CA C 69 51.240 51.240 54.232 -2.992 18734 7422 1 17 . 1 1 69 69 ASP CB C 69 39.076 39.076 43.437 -4.361 18734 7423 1 17 . 1 1 69 69 ASP H H 69 8.721 8.721 8.726 -0.005 18734 7424 1 17 . 1 1 70 70 PHE N N 70 113.658 113.658 119.772 -6.114 18734 7425 1 17 . 1 1 70 70 PHE HA H 70 4.648 4.648 5.153 -0.505 18734 7426 1 17 . 1 1 70 70 PHE CA C 70 52.114 52.114 55.497 -3.383 18734 7427 1 17 . 1 1 70 70 PHE CB C 70 38.375 38.375 41.123 -2.748 18734 7428 1 17 . 1 1 70 70 PHE H H 70 5.865 5.865 7.438 -1.573 18734 7429 1 17 . 1 1 71 71 LEU N N 71 119.766 119.766 120.540 -0.774 18734 7430 1 17 . 1 1 71 71 LEU HA H 71 4.915 4.915 4.783 0.132 18734 7431 1 17 . 1 1 71 71 LEU CA C 71 50.797 50.797 53.832 -3.035 18734 7432 1 17 . 1 1 71 71 LEU CB C 71 41.482 41.482 45.493 -4.011 18734 7433 1 17 . 1 1 71 71 LEU H H 71 7.964 7.964 8.193 -0.229 18734 7434 1 17 . 1 1 72 72 ILE N N 72 123.675 123.675 122.950 0.725 18734 7435 1 17 . 1 1 72 72 ILE HA H 72 4.728 4.728 4.701 0.027 18734 7436 1 17 . 1 1 72 72 ILE CB C 72 36.921 36.921 40.691 -3.770 18734 7437 1 17 . 1 1 72 72 ILE H H 72 9.073 9.073 8.986 0.087 18734 7438 1 17 . 1 1 73 73 CYS N N 73 125.409 125.409 127.194 -1.785 18734 7439 1 17 . 1 1 73 73 CYS HA H 73 5.534 5.534 5.347 0.187 18734 7440 1 17 . 1 1 73 73 CYS CA C 73 54.056 54.056 57.546 -3.490 18734 7441 1 17 . 1 1 73 73 CYS CB C 73 27.753 27.753 28.383 -0.630 18734 7442 1 17 . 1 1 73 73 CYS H H 73 9.060 9.060 8.752 0.308 18734 7443 1 17 . 1 1 74 74 VAL N N 74 114.408 114.408 121.390 -6.982 18734 7444 1 17 . 1 1 74 74 VAL HA H 74 4.951 4.951 4.733 0.218 18734 7445 1 17 . 1 1 74 74 VAL CA C 74 54.229 54.229 57.783 -3.554 18734 7446 1 17 . 1 1 74 74 VAL CB C 74 29.675 29.675 33.054 -3.380 18734 7447 1 17 . 1 1 74 74 VAL H H 74 7.938 7.938 8.825 -0.887 18734 7448 1 17 . 1 1 75 75 PRO HA H 75 4.283 4.283 4.575 -0.292 18734 7449 1 17 . 1 1 75 75 PRO CA C 75 60.889 60.889 62.949 -2.060 18734 7450 1 17 . 1 1 75 75 PRO CB C 75 29.499 29.499 32.576 -3.077 18734 7451 1 17 . 1 1 76 76 GLU N N 76 126.159 126.159 124.244 1.915 18734 7452 1 17 . 1 1 76 76 GLU HA H 76 3.664 3.664 3.908 -0.244 18734 7453 1 17 . 1 1 76 76 GLU CA C 76 58.112 58.112 59.676 -1.564 18734 7454 1 17 . 1 1 76 76 GLU CB C 76 26.894 26.894 28.869 -1.975 18734 7455 1 17 . 1 1 76 76 GLU H H 76 9.130 9.130 8.933 0.197 18734 7456 1 17 . 1 1 77 77 GLU N N 77 117.145 117.145 120.950 -3.805 18734 7457 1 17 . 1 1 77 77 GLU HA H 77 4.100 4.100 4.115 -0.015 18734 7458 1 17 . 1 1 77 77 GLU CA C 77 55.734 55.734 58.167 -2.433 18734 7459 1 17 . 1 1 77 77 GLU CB C 77 26.315 26.315 29.021 -2.706 18734 7460 1 17 . 1 1 77 77 GLU H H 77 9.350 9.350 8.238 1.112 18734 7461 1 17 . 1 1 78 78 ALA N N 78 120.398 120.398 119.155 1.243 18734 7462 1 17 . 1 1 78 78 ALA HA H 78 4.699 4.699 4.291 0.408 18734 7463 1 17 . 1 1 78 78 ALA CB C 78 18.962 18.962 19.230 -0.268 18734 7464 1 17 . 1 1 78 78 ALA H H 78 8.044 8.044 7.699 0.345 18734 7465 1 17 . 1 1 79 79 LEU N N 79 122.497 122.497 121.637 0.860 18734 7466 1 17 . 1 1 79 79 LEU HA H 79 3.710 3.710 4.075 -0.365 18734 7467 1 17 . 1 1 79 79 LEU CA C 79 56.837 56.837 58.391 -1.554 18734 7468 1 17 . 1 1 79 79 LEU CB C 79 40.952 40.952 41.817 -0.865 18734 7469 1 17 . 1 1 79 79 LEU H H 79 7.331 7.331 7.710 -0.379 18734 7470 1 17 . 1 1 80 80 ASP N N 80 116.432 116.432 118.036 -1.604 18734 7471 1 17 . 1 1 80 80 ASP HA H 80 4.357 4.357 4.361 -0.004 18734 7472 1 17 . 1 1 80 80 ASP CA C 80 54.751 54.751 57.199 -2.448 18734 7473 1 17 . 1 1 80 80 ASP CB C 80 38.534 38.534 40.512 -1.978 18734 7474 1 17 . 1 1 80 80 ASP H H 80 8.305 8.305 8.590 -0.285 18734 7475 1 17 . 1 1 81 81 ARG N N 81 119.433 119.433 119.693 -0.260 18734 7476 1 17 . 1 1 81 81 ARG HA H 81 3.894 3.894 3.955 -0.061 18734 7477 1 17 . 1 1 81 81 ARG CA C 81 56.473 56.473 59.370 -2.897 18734 7478 1 17 . 1 1 81 81 ARG CB C 81 27.481 27.481 30.108 -2.627 18734 7479 1 17 . 1 1 81 81 ARG H H 81 7.638 7.638 7.890 -0.252 18734 7480 1 17 . 1 1 82 82 TYR N N 82 116.397 116.397 115.088 1.309 18734 7481 1 17 . 1 1 82 82 TYR HA H 82 3.830 3.830 4.160 -0.330 18734 7482 1 17 . 1 1 82 82 TYR CA C 82 61.170 61.170 61.203 -0.033 18734 7483 1 17 . 1 1 82 82 TYR CB C 82 37.031 37.031 38.125 -1.094 18734 7484 1 17 . 1 1 82 82 TYR H H 82 8.198 8.198 8.194 0.004 18734 7485 1 17 . 1 1 83 83 ARG N N 83 113.114 113.114 118.960 -5.846 18734 7486 1 17 . 1 1 83 83 ARG HA H 83 3.728 3.728 4.056 -0.328 18734 7487 1 17 . 1 1 83 83 ARG CA C 83 58.115 58.115 59.882 -1.767 18734 7488 1 17 . 1 1 83 83 ARG CB C 83 28.107 28.107 30.084 -1.977 18734 7489 1 17 . 1 1 83 83 ARG H H 83 8.151 8.151 8.088 0.063 18734 7490 1 17 . 1 1 84 84 ARG N N 84 111.791 111.791 116.277 -4.486 18734 7491 1 17 . 1 1 84 84 ARG HA H 84 4.386 4.386 4.208 0.178 18734 7492 1 17 . 1 1 84 84 ARG CA C 84 52.335 52.335 56.965 -4.630 18734 7493 1 17 . 1 1 84 84 ARG CB C 84 27.987 27.987 29.990 -2.003 18734 7494 1 17 . 1 1 84 84 ARG H H 84 7.571 7.571 7.827 -0.256 18734 7495 1 17 . 1 1 85 85 ASP N N 85 123.157 123.157 119.917 3.240 18734 7496 1 17 . 1 1 85 85 ASP HA H 85 4.373 4.373 4.628 -0.255 18734 7497 1 17 . 1 1 85 85 ASP CA C 85 52.852 52.852 54.752 -1.900 18734 7498 1 17 . 1 1 85 85 ASP CB C 85 42.482 42.482 41.935 0.547 18734 7499 1 17 . 1 1 85 85 ASP H H 85 7.200 7.200 7.664 -0.464 18734 7500 1 17 . 1 1 86 86 TYR N N 86 123.389 123.389 122.282 1.107 18734 7501 1 17 . 1 1 86 86 TYR HA H 86 4.092 4.092 4.711 -0.619 18734 7502 1 17 . 1 1 86 86 TYR CA C 86 58.674 58.674 59.325 -0.651 18734 7503 1 17 . 1 1 86 86 TYR CB C 86 35.801 35.801 38.920 -3.119 18734 7504 1 17 . 1 1 86 86 TYR H H 86 8.440 8.440 8.985 -0.545 18734 7505 1 17 . 1 1 87 87 PHE N N 87 117.092 117.092 119.080 -1.988 18734 7506 1 17 . 1 1 87 87 PHE HA H 87 4.378 4.378 4.812 -0.434 18734 7507 1 17 . 1 1 87 87 PHE CA C 87 57.433 57.433 57.580 -0.147 18734 7508 1 17 . 1 1 87 87 PHE CB C 87 37.442 37.442 39.610 -2.168 18734 7509 1 17 . 1 1 87 87 PHE H H 87 7.931 7.931 8.153 -0.222 18734 7510 1 17 . 1 1 88 88 TRP N N 88 121.396 121.396 121.646 -0.250 18734 7511 1 17 . 1 1 88 88 TRP HA H 88 3.798 3.798 4.251 -0.453 18734 7512 1 17 . 1 1 88 88 TRP CA C 88 59.544 59.544 60.952 -1.408 18734 7513 1 17 . 1 1 88 88 TRP CB C 88 26.293 26.293 29.140 -2.847 18734 7514 1 17 . 1 1 88 88 TRP H H 88 9.757 9.757 9.355 0.402 18734 7515 1 17 . 1 1 89 89 GLN N N 89 117.760 117.760 117.966 -0.206 18734 7516 1 17 . 1 1 89 89 GLN HA H 89 4.393 4.393 3.996 0.397 18734 7517 1 17 . 1 1 89 89 GLN CA C 89 55.882 55.882 58.337 -2.455 18734 7518 1 17 . 1 1 89 89 GLN CB C 89 30.198 30.198 27.692 2.506 18734 7519 1 17 . 1 1 89 89 GLN H H 89 8.490 8.490 8.093 0.397 18734 7520 1 17 . 1 1 90 90 THR N N 90 118.285 118.285 116.135 2.150 18734 7521 1 17 . 1 1 90 90 THR HA H 90 3.686 3.686 3.976 -0.290 18734 7522 1 17 . 1 1 90 90 THR CA C 90 62.770 62.770 65.397 -2.627 18734 7523 1 17 . 1 1 90 90 THR CB C 90 66.664 66.664 68.659 -1.995 18734 7524 1 17 . 1 1 90 90 THR H H 90 7.932 7.932 7.840 0.092 18734 7525 1 17 . 1 1 91 91 TYR N N 91 118.448 118.448 119.375 -0.927 18734 7526 1 17 . 1 1 91 91 TYR HA H 91 4.975 4.975 4.653 0.322 18734 7527 1 17 . 1 1 91 91 TYR CA C 91 55.511 55.511 58.950 -3.439 18734 7528 1 17 . 1 1 91 91 TYR CB C 91 37.126 37.126 37.490 -0.364 18734 7529 1 17 . 1 1 91 91 TYR H H 91 8.009 8.009 8.358 -0.349 18734 7530 1 17 . 1 1 92 92 ALA N N 92 122.351 122.351 123.360 -1.009 18734 7531 1 17 . 1 1 92 92 ALA HA H 92 3.843 3.843 4.074 -0.231 18734 7532 1 17 . 1 1 92 92 ALA CA C 92 54.108 54.108 54.526 -0.418 18734 7533 1 17 . 1 1 92 92 ALA CB C 92 16.505 16.505 18.118 -1.613 18734 7534 1 17 . 1 1 92 92 ALA H H 92 7.665 7.665 8.069 -0.404 18734 7535 1 17 . 1 1 93 93 ALA N N 93 117.548 117.548 120.810 -3.262 18734 7536 1 17 . 1 1 93 93 ALA HA H 93 3.702 3.702 3.937 -0.235 18734 7537 1 17 . 1 1 93 93 ALA CA C 93 51.371 51.371 53.823 -2.452 18734 7538 1 17 . 1 1 93 93 ALA CB C 93 14.292 14.292 18.209 -3.917 18734 7539 1 17 . 1 1 93 93 ALA H H 93 8.275 8.275 7.730 0.545 18734 7540 1 17 . 1 1 94 94 TRP N N 94 115.303 115.303 114.468 0.835 18734 7541 1 17 . 1 1 94 94 TRP HA H 94 4.669 4.669 4.902 -0.233 18734 7542 1 17 . 1 1 94 94 TRP CB C 94 26.912 26.912 30.235 -3.323 18734 7543 1 17 . 1 1 94 94 TRP H H 94 8.203 8.203 7.804 0.399 18734 7544 1 17 . 1 1 95 95 ILE N N 95 120.680 120.680 121.651 -0.971 18734 7545 1 17 . 1 1 95 95 ILE HA H 95 5.325 5.325 4.527 0.798 18734 7546 1 17 . 1 1 95 95 ILE CA C 95 57.930 57.930 61.063 -3.133 18734 7547 1 17 . 1 1 95 95 ILE CB C 95 36.508 36.508 37.904 -1.396 18734 7548 1 17 . 1 1 95 95 ILE H H 95 7.153 7.153 7.494 -0.341 18734 7549 1 17 . 1 1 96 96 GLN N N 96 128.223 128.223 127.684 0.539 18734 7550 1 17 . 1 1 96 96 GLN HA H 96 4.691 4.691 4.865 -0.174 18734 7551 1 17 . 1 1 96 96 GLN CB C 96 28.885 28.885 29.495 -0.610 18734 7552 1 17 . 1 1 96 96 GLN H H 96 9.189 9.189 8.984 0.205 18734 7553 1 17 . 1 1 97 97 PRO HA H 97 4.833 4.833 4.804 0.029 18734 7554 1 17 . 1 1 97 97 PRO CA C 97 59.122 59.122 62.419 -3.297 18734 7555 1 17 . 1 1 97 97 PRO CB C 97 29.515 29.515 32.810 -3.295 18734 7556 1 17 . 1 1 98 98 MET N N 98 120.815 120.815 118.876 1.939 18734 7557 1 17 . 1 1 98 98 MET HA H 98 4.116 4.116 4.377 -0.261 18734 7558 1 17 . 1 1 98 98 MET CA C 98 52.944 52.944 55.530 -2.586 18734 7559 1 17 . 1 1 98 98 MET CB C 98 30.981 30.981 33.377 -2.396 18734 7560 1 17 . 1 1 98 98 MET H H 98 8.551 8.551 8.170 0.381 18734 7561 1 17 . 1 1 99 99 GLU N N 99 124.677 124.677 119.508 5.169 18734 7562 1 17 . 1 1 99 99 GLU HA H 99 4.220 4.220 4.580 -0.360 18734 7563 1 17 . 1 1 99 99 GLU CA C 99 53.952 53.952 55.556 -1.604 18734 7564 1 17 . 1 1 99 99 GLU CB C 99 27.803 27.803 30.348 -2.545 18734 7565 1 17 . 1 1 99 99 GLU H H 99 8.532 8.532 8.368 0.164 18734 7566 1 18 . 1 1 2 2 SER HA H 2 4.373 4.373 4.588 -0.215 18734 7567 1 18 . 1 1 2 2 SER CA C 2 55.756 55.756 58.070 -2.314 18734 7568 1 18 . 1 1 2 2 SER CB C 2 61.143 61.143 65.107 -3.964 18734 7569 1 18 . 1 1 3 3 HIS HA H 3 4.613 4.613 4.705 -0.092 18734 7570 1 18 . 1 1 3 3 HIS CA C 3 52.991 52.991 55.897 -2.906 18734 7571 1 18 . 1 1 3 3 HIS CB C 3 26.607 26.607 30.203 -3.596 18734 7572 1 18 . 1 1 4 4 GLU N N 4 122.124 122.124 119.836 2.288 18734 7573 1 18 . 1 1 4 4 GLU HA H 4 4.171 4.171 4.350 -0.179 18734 7574 1 18 . 1 1 4 4 GLU CA C 4 54.441 54.441 55.572 -1.131 18734 7575 1 18 . 1 1 4 4 GLU CB C 4 27.585 27.585 31.357 -3.772 18734 7576 1 18 . 1 1 4 4 GLU H H 4 8.415 8.415 7.945 0.470 18734 7577 1 18 . 1 1 5 5 GLY N N 5 110.434 110.434 109.286 1.148 18734 7578 1 18 . 1 1 5 5 GLY CA C 5 42.610 42.610 44.979 -2.369 18734 7579 1 18 . 1 1 5 5 GLY H H 5 8.488 8.488 8.405 0.082 18734 7580 1 18 . 1 1 6 6 GLU N N 6 121.376 121.376 121.578 -0.202 18734 7581 1 18 . 1 1 6 6 GLU HA H 6 4.560 4.560 4.384 0.176 18734 7582 1 18 . 1 1 6 6 GLU CA C 6 51.629 51.629 54.456 -2.827 18734 7583 1 18 . 1 1 6 6 GLU CB C 6 26.998 26.998 30.204 -3.206 18734 7584 1 18 . 1 1 6 6 GLU H H 6 7.954 7.954 7.962 -0.008 18734 7585 1 18 . 1 1 7 7 PRO HA H 7 4.464 4.464 4.468 -0.004 18734 7586 1 18 . 1 1 7 7 PRO CA C 7 60.517 60.517 62.479 -1.962 18734 7587 1 18 . 1 1 7 7 PRO CB C 7 29.486 29.486 30.665 -1.179 18734 7588 1 18 . 1 1 8 8 VAL N N 8 120.493 120.493 119.371 1.122 18734 7589 1 18 . 1 1 8 8 VAL HA H 8 4.387 4.387 4.406 -0.019 18734 7590 1 18 . 1 1 8 8 VAL CA C 8 58.483 58.483 59.158 -0.675 18734 7591 1 18 . 1 1 8 8 VAL CB C 8 31.177 31.177 34.411 -3.234 18734 7592 1 18 . 1 1 8 8 VAL H H 8 8.177 8.177 7.690 0.487 18734 7593 1 18 . 1 1 9 9 VAL N N 9 124.516 124.516 126.108 -1.592 18734 7594 1 18 . 1 1 9 9 VAL HA H 9 4.024 4.024 3.990 0.034 18734 7595 1 18 . 1 1 9 9 VAL CA C 9 60.336 60.336 63.186 -2.850 18734 7596 1 18 . 1 1 9 9 VAL CB C 9 29.995 29.995 32.265 -2.270 18734 7597 1 18 . 1 1 9 9 VAL H H 9 8.246 8.246 8.538 -0.292 18734 7598 1 18 . 1 1 10 10 GLY N N 10 114.968 114.968 117.177 -2.209 18734 7599 1 18 . 1 1 10 10 GLY CA C 10 42.318 42.318 45.266 -2.948 18734 7600 1 18 . 1 1 10 10 GLY H H 10 8.595 8.595 8.323 0.272 18734 7601 1 18 . 1 1 11 11 MET N N 11 120.532 120.532 119.276 1.256 18734 7602 1 18 . 1 1 11 11 MET CA C 11 53.802 53.802 57.278 -3.476 18734 7603 1 18 . 1 1 11 11 MET CB C 11 30.698 30.698 31.321 -0.623 18734 7604 1 18 . 1 1 11 11 MET H H 11 8.320 8.320 8.479 -0.159 18734 7605 1 18 . 1 1 12 12 ASP N N 12 120.515 120.515 122.345 -1.830 18734 7606 1 18 . 1 1 12 12 ASP HA H 12 4.637 4.637 4.490 0.147 18734 7607 1 18 . 1 1 12 12 ASP CB C 12 38.090 38.090 41.109 -3.019 18734 7608 1 18 . 1 1 12 12 ASP H H 12 8.261 8.261 8.160 0.101 18734 7609 1 18 . 1 1 13 13 LYS N N 13 123.685 123.685 126.275 -2.590 18734 7610 1 18 . 1 1 13 13 LYS HA H 13 4.623 4.623 4.927 -0.304 18734 7611 1 18 . 1 1 13 13 LYS CA C 13 50.898 50.898 55.328 -4.430 18734 7612 1 18 . 1 1 13 13 LYS CB C 13 30.003 30.003 31.938 -1.935 18734 7613 1 18 . 1 1 13 13 LYS H H 13 8.579 8.579 8.384 0.195 18734 7614 1 18 . 1 1 14 14 SER N N 14 115.048 115.048 116.349 -1.301 18734 7615 1 18 . 1 1 14 14 SER HA H 14 4.447 4.447 4.772 -0.325 18734 7616 1 18 . 1 1 14 14 SER CA C 14 56.917 56.917 58.595 -1.678 18734 7617 1 18 . 1 1 14 14 SER CB C 14 61.536 61.536 64.874 -3.338 18734 7618 1 18 . 1 1 14 14 SER H H 14 8.507 8.507 8.521 -0.014 18734 7619 1 18 . 1 1 15 15 LEU N N 15 119.294 119.294 122.333 -3.039 18734 7620 1 18 . 1 1 15 15 LEU HA H 15 3.989 3.989 4.026 -0.037 18734 7621 1 18 . 1 1 15 15 LEU CA C 15 53.219 53.219 55.958 -2.739 18734 7622 1 18 . 1 1 15 15 LEU CB C 15 39.813 39.813 40.105 -0.292 18734 7623 1 18 . 1 1 15 15 LEU H H 15 6.908 6.908 8.183 -1.275 18734 7624 1 18 . 1 1 16 16 PHE N N 16 117.103 117.103 119.419 -2.316 18734 7625 1 18 . 1 1 16 16 PHE HA H 16 4.397 4.397 4.280 0.117 18734 7626 1 18 . 1 1 16 16 PHE CA C 16 56.719 56.719 61.099 -4.380 18734 7627 1 18 . 1 1 16 16 PHE CB C 16 37.917 37.917 37.569 0.348 18734 7628 1 18 . 1 1 16 16 PHE H H 16 7.658 7.658 7.585 0.073 18734 7629 1 18 . 1 1 17 17 ALA N N 17 120.694 120.694 119.143 1.551 18734 7630 1 18 . 1 1 17 17 ALA HA H 17 3.964 3.964 4.504 -0.540 18734 7631 1 18 . 1 1 17 17 ALA CA C 17 51.840 51.840 52.481 -0.641 18734 7632 1 18 . 1 1 17 17 ALA CB C 17 15.004 15.004 17.831 -2.827 18734 7633 1 18 . 1 1 17 17 ALA H H 17 7.514 7.514 7.868 -0.354 18734 7634 1 18 . 1 1 18 18 GLY N N 18 110.007 110.007 105.473 4.534 18734 7635 1 18 . 1 1 18 18 GLY CA C 18 43.150 43.150 44.686 -1.536 18734 7636 1 18 . 1 1 18 18 GLY H H 18 8.204 8.204 7.717 0.487 18734 7637 1 18 . 1 1 19 19 ASN N N 19 119.323 119.323 118.585 0.738 18734 7638 1 18 . 1 1 19 19 ASN HA H 19 4.733 4.733 5.165 -0.432 18734 7639 1 18 . 1 1 19 19 ASN CB C 19 36.020 36.020 41.091 -5.071 18734 7640 1 18 . 1 1 19 19 ASN H H 19 8.124 8.124 7.962 0.162 18734 7641 1 18 . 1 1 20 20 THR N N 20 116.844 116.844 111.814 5.030 18734 7642 1 18 . 1 1 20 20 THR HA H 20 4.243 4.243 4.871 -0.628 18734 7643 1 18 . 1 1 20 20 THR CA C 20 60.224 60.224 63.207 -2.983 18734 7644 1 18 . 1 1 20 20 THR CB C 20 66.167 66.167 70.043 -3.876 18734 7645 1 18 . 1 1 20 20 THR H H 20 8.400 8.400 8.518 -0.118 18734 7646 1 18 . 1 1 21 21 VAL N N 21 117.661 117.661 120.712 -3.051 18734 7647 1 18 . 1 1 21 21 VAL HA H 21 4.161 4.161 4.280 -0.119 18734 7648 1 18 . 1 1 21 21 VAL CA C 21 59.739 59.739 62.347 -2.608 18734 7649 1 18 . 1 1 21 21 VAL CB C 21 31.224 31.224 32.551 -1.327 18734 7650 1 18 . 1 1 21 21 VAL H H 21 8.412 8.412 7.912 0.500 18734 7651 1 18 . 1 1 22 22 ILE N N 22 120.465 120.465 121.654 -1.189 18734 7652 1 18 . 1 1 22 22 ILE HA H 22 3.873 3.873 4.019 -0.146 18734 7653 1 18 . 1 1 22 22 ILE CA C 22 59.860 59.860 61.795 -1.935 18734 7654 1 18 . 1 1 22 22 ILE CB C 22 37.052 37.052 37.710 -0.658 18734 7655 1 18 . 1 1 22 22 ILE H H 22 7.300 7.300 7.995 -0.695 18734 7656 1 18 . 1 1 23 23 ARG N N 23 122.168 122.168 126.638 -4.470 18734 7657 1 18 . 1 1 23 23 ARG HA H 23 4.940 4.940 4.347 0.593 18734 7658 1 18 . 1 1 23 23 ARG CA C 23 54.175 54.175 57.153 -2.978 18734 7659 1 18 . 1 1 23 23 ARG CB C 23 30.921 30.921 30.544 0.377 18734 7660 1 18 . 1 1 23 23 ARG H H 23 8.328 8.328 8.560 -0.232 18734 7661 1 18 . 1 1 24 24 GLU N N 24 117.968 117.968 116.927 1.041 18734 7662 1 18 . 1 1 24 24 GLU HA H 24 5.100 5.100 4.561 0.539 18734 7663 1 18 . 1 1 24 24 GLU CA C 24 51.948 51.948 55.607 -3.659 18734 7664 1 18 . 1 1 24 24 GLU CB C 24 30.737 30.737 32.971 -2.234 18734 7665 1 18 . 1 1 24 24 GLU H H 24 7.474 7.474 7.660 -0.186 18734 7666 1 18 . 1 1 25 25 ILE N N 25 121.135 121.135 123.155 -2.020 18734 7667 1 18 . 1 1 25 25 ILE HA H 25 4.205 4.205 4.466 -0.261 18734 7668 1 18 . 1 1 25 25 ILE CA C 25 57.149 57.149 60.558 -3.409 18734 7669 1 18 . 1 1 25 25 ILE CB C 25 39.882 39.882 40.849 -0.967 18734 7670 1 18 . 1 1 25 25 ILE H H 25 7.591 7.591 7.858 -0.267 18734 7671 1 18 . 1 1 26 26 THR N N 26 122.935 122.935 123.854 -0.919 18734 7672 1 18 . 1 1 26 26 THR HA H 26 4.999 4.999 4.547 0.452 18734 7673 1 18 . 1 1 26 26 THR CA C 26 59.185 59.185 62.588 -3.403 18734 7674 1 18 . 1 1 26 26 THR CB C 26 67.259 67.259 68.226 -0.967 18734 7675 1 18 . 1 1 26 26 THR H H 26 8.243 8.243 8.514 -0.271 18734 7676 1 18 . 1 1 27 27 VAL N N 27 124.220 124.220 127.554 -3.334 18734 7677 1 18 . 1 1 27 27 VAL HA H 27 4.421 4.421 4.223 0.198 18734 7678 1 18 . 1 1 27 27 VAL CA C 27 58.144 58.144 62.180 -4.036 18734 7679 1 18 . 1 1 27 27 VAL CB C 27 30.727 30.727 32.709 -1.982 18734 7680 1 18 . 1 1 27 27 VAL H H 27 9.216 9.216 8.902 0.314 18734 7681 1 18 . 1 1 28 28 GLN N N 28 129.280 129.280 123.480 5.800 18734 7682 1 18 . 1 1 28 28 GLN HA H 28 4.702 4.702 5.014 -0.312 18734 7683 1 18 . 1 1 28 28 GLN CB C 28 25.480 25.480 29.232 -3.752 18734 7684 1 18 . 1 1 28 28 GLN H H 28 8.782 8.782 8.607 0.175 18734 7685 1 18 . 1 1 29 29 PRO HA H 29 3.457 3.457 2.979 0.478 18734 7686 1 18 . 1 1 29 29 PRO CA C 29 60.712 60.712 62.756 -2.044 18734 7687 1 18 . 1 1 29 29 PRO CB C 29 30.122 30.122 31.891 -1.769 18734 7688 1 18 . 1 1 30 30 ASN N N 30 113.396 113.396 114.019 -0.623 18734 7689 1 18 . 1 1 30 30 ASN HA H 30 4.329 4.329 4.209 0.120 18734 7690 1 18 . 1 1 30 30 ASN CA C 30 51.999 51.999 55.469 -3.470 18734 7691 1 18 . 1 1 30 30 ASN CB C 30 34.627 34.627 37.345 -2.718 18734 7692 1 18 . 1 1 30 30 ASN H H 30 8.199 8.199 8.728 -0.529 18734 7693 1 18 . 1 1 31 31 ILE N N 31 115.907 115.907 121.888 -5.981 18734 7694 1 18 . 1 1 31 31 ILE HA H 31 4.395 4.395 4.194 0.201 18734 7695 1 18 . 1 1 31 31 ILE CA C 31 57.434 57.434 60.349 -2.915 18734 7696 1 18 . 1 1 31 31 ILE CB C 31 36.859 36.859 37.051 -0.192 18734 7697 1 18 . 1 1 31 31 ILE H H 31 8.201 8.201 7.503 0.698 18734 7698 1 18 . 1 1 32 32 GLY N N 32 111.217 111.217 111.269 -0.052 18734 7699 1 18 . 1 1 32 32 GLY CA C 32 41.729 41.729 44.417 -2.688 18734 7700 1 18 . 1 1 32 32 GLY H H 32 7.998 7.998 7.374 0.624 18734 7701 1 18 . 1 1 33 33 LEU N N 33 120.007 120.007 119.911 0.096 18734 7702 1 18 . 1 1 33 33 LEU HA H 33 3.880 3.880 4.419 -0.539 18734 7703 1 18 . 1 1 33 33 LEU CA C 33 53.595 53.595 55.086 -1.490 18734 7704 1 18 . 1 1 33 33 LEU CB C 33 40.528 40.528 43.544 -3.017 18734 7705 1 18 . 1 1 33 33 LEU H H 33 7.820 7.820 8.398 -0.578 18734 7706 1 18 . 1 1 34 34 LEU N N 34 128.106 128.106 123.323 4.783 18734 7707 1 18 . 1 1 34 34 LEU HA H 34 4.485 4.485 4.731 -0.246 18734 7708 1 18 . 1 1 34 34 LEU CA C 34 51.078 51.078 53.564 -2.486 18734 7709 1 18 . 1 1 34 34 LEU CB C 34 37.447 37.447 41.239 -3.792 18734 7710 1 18 . 1 1 34 34 LEU H H 34 8.551 8.551 8.174 0.377 18734 7711 1 18 . 1 1 35 35 TYR N N 35 121.473 121.473 120.536 0.937 18734 7712 1 18 . 1 1 35 35 TYR HA H 35 4.240 4.240 4.679 -0.439 18734 7713 1 18 . 1 1 35 35 TYR CA C 35 53.814 53.814 55.329 -1.515 18734 7714 1 18 . 1 1 35 35 TYR CB C 35 36.868 36.868 39.277 -2.409 18734 7715 1 18 . 1 1 35 35 TYR H H 35 6.363 6.363 8.266 -1.903 18734 7716 1 18 . 1 1 36 36 ASP N N 36 119.590 119.590 118.743 0.847 18734 7717 1 18 . 1 1 36 36 ASP HA H 36 3.980 3.980 4.572 -0.592 18734 7718 1 18 . 1 1 36 36 ASP CA C 36 52.760 52.760 54.071 -1.311 18734 7719 1 18 . 1 1 36 36 ASP CB C 36 37.119 37.119 41.847 -4.728 18734 7720 1 18 . 1 1 36 36 ASP H H 36 8.573 8.573 8.207 0.366 18734 7721 1 18 . 1 1 37 37 GLY N N 37 108.636 108.636 109.989 -1.353 18734 7722 1 18 . 1 1 37 37 GLY CA C 37 44.335 44.335 46.218 -1.883 18734 7723 1 18 . 1 1 37 37 GLY H H 37 7.903 7.903 8.753 -0.850 18734 7724 1 18 . 1 1 38 38 MET N N 38 120.339 120.339 117.269 3.070 18734 7725 1 18 . 1 1 38 38 MET HA H 38 3.631 3.631 3.877 -0.246 18734 7726 1 18 . 1 1 38 38 MET CA C 38 56.101 56.101 57.659 -1.558 18734 7727 1 18 . 1 1 38 38 MET CB C 38 29.166 29.166 31.659 -2.493 18734 7728 1 18 . 1 1 38 38 MET H H 38 7.873 7.873 6.822 1.051 18734 7729 1 18 . 1 1 39 39 PHE N N 39 115.430 115.430 115.227 0.203 18734 7730 1 18 . 1 1 39 39 PHE HA H 39 4.908 4.908 5.056 -0.148 18734 7731 1 18 . 1 1 39 39 PHE CA C 39 52.898 52.898 55.458 -2.560 18734 7732 1 18 . 1 1 39 39 PHE CB C 39 36.647 36.647 38.976 -2.329 18734 7733 1 18 . 1 1 39 39 PHE H H 39 8.504 8.504 7.427 1.077 18734 7734 1 18 . 1 1 40 40 SER N N 40 113.647 113.647 118.192 -4.545 18734 7735 1 18 . 1 1 40 40 SER HA H 40 4.238 4.238 4.560 -0.322 18734 7736 1 18 . 1 1 40 40 SER CA C 40 56.954 56.954 59.918 -2.964 18734 7737 1 18 . 1 1 40 40 SER CB C 40 60.458 60.458 62.310 -1.852 18734 7738 1 18 . 1 1 40 40 SER H H 40 7.264 7.264 7.894 -0.630 18734 7739 1 18 . 1 1 41 41 GLY N N 41 115.225 115.225 112.356 2.869 18734 7740 1 18 . 1 1 41 41 GLY CA C 41 42.941 42.941 44.923 -1.982 18734 7741 1 18 . 1 1 41 41 GLY H H 41 9.110 9.110 8.203 0.907 18734 7742 1 18 . 1 1 42 42 CYS N N 42 120.385 120.385 124.114 -3.729 18734 7743 1 18 . 1 1 42 42 CYS HA H 42 4.761 4.761 4.863 -0.102 18734 7744 1 18 . 1 1 42 42 CYS CB C 42 23.867 23.867 25.043 -1.175 18734 7745 1 18 . 1 1 42 42 CYS H H 42 7.929 7.929 8.427 -0.498 18734 7746 1 18 . 1 1 43 43 THR N N 43 113.920 113.920 117.625 -3.705 18734 7747 1 18 . 1 1 43 43 THR HA H 43 3.863 3.863 4.088 -0.225 18734 7748 1 18 . 1 1 43 43 THR CA C 43 61.663 61.663 64.881 -3.218 18734 7749 1 18 . 1 1 43 43 THR CB C 43 66.027 66.027 68.771 -2.744 18734 7750 1 18 . 1 1 43 43 THR H H 43 7.495 7.495 8.356 -0.861 18734 7751 1 18 . 1 1 44 44 ALA N N 44 123.479 123.479 125.393 -1.914 18734 7752 1 18 . 1 1 44 44 ALA HA H 44 4.477 4.477 4.544 -0.067 18734 7753 1 18 . 1 1 44 44 ALA CA C 44 48.198 48.198 50.864 -2.666 18734 7754 1 18 . 1 1 44 44 ALA CB C 44 17.096 17.096 17.822 -0.726 18734 7755 1 18 . 1 1 44 44 ALA H H 44 8.551 8.551 7.710 0.841 18734 7756 1 18 . 1 1 45 45 LEU N N 45 121.070 121.070 121.130 -0.060 18734 7757 1 18 . 1 1 45 45 LEU HA H 45 3.981 3.981 4.924 -0.943 18734 7758 1 18 . 1 1 45 45 LEU CA C 45 53.838 53.838 54.623 -0.785 18734 7759 1 18 . 1 1 45 45 LEU CB C 45 40.243 40.243 44.446 -4.203 18734 7760 1 18 . 1 1 45 45 LEU H H 45 6.819 6.819 7.513 -0.694 18734 7761 1 18 . 1 1 46 46 GLU N N 46 128.627 128.627 123.944 4.683 18734 7762 1 18 . 1 1 46 46 GLU HA H 46 4.511 4.511 4.992 -0.481 18734 7763 1 18 . 1 1 46 46 GLU CA C 46 54.357 54.357 55.873 -1.516 18734 7764 1 18 . 1 1 46 46 GLU CB C 46 29.883 29.883 32.425 -2.542 18734 7765 1 18 . 1 1 46 46 GLU H H 46 9.401 9.401 8.212 1.189 18734 7766 1 18 . 1 1 47 47 LYS N N 47 116.297 116.297 119.356 -3.059 18734 7767 1 18 . 1 1 47 47 LYS HA H 47 5.128 5.128 4.722 0.406 18734 7768 1 18 . 1 1 47 47 LYS CA C 47 52.808 52.808 54.962 -2.154 18734 7769 1 18 . 1 1 47 47 LYS CB C 47 35.325 35.325 36.459 -1.134 18734 7770 1 18 . 1 1 47 47 LYS H H 47 7.171 7.171 7.556 -0.385 18734 7771 1 18 . 1 1 48 48 LEU N N 48 125.474 125.474 122.815 2.659 18734 7772 1 18 . 1 1 48 48 LEU HA H 48 4.403 4.403 4.700 -0.297 18734 7773 1 18 . 1 1 48 48 LEU CA C 48 50.489 50.489 54.827 -4.338 18734 7774 1 18 . 1 1 48 48 LEU CB C 48 41.991 41.991 46.145 -4.154 18734 7775 1 18 . 1 1 48 48 LEU H H 48 8.715 8.715 8.066 0.649 18734 7776 1 18 . 1 1 49 49 ILE N N 49 127.246 127.246 124.438 2.808 18734 7777 1 18 . 1 1 49 49 ILE HA H 49 4.145 4.145 4.751 -0.606 18734 7778 1 18 . 1 1 49 49 ILE CA C 49 58.314 58.314 59.714 -1.399 18734 7779 1 18 . 1 1 49 49 ILE CB C 49 36.125 36.125 41.729 -5.604 18734 7780 1 18 . 1 1 49 49 ILE H H 49 9.131 9.131 8.858 0.273 18734 7781 1 18 . 1 1 50 50 LEU N N 50 128.685 128.685 125.496 3.189 18734 7782 1 18 . 1 1 50 50 LEU HA H 50 4.417 4.417 5.181 -0.764 18734 7783 1 18 . 1 1 50 50 LEU CA C 50 50.414 50.414 53.528 -3.114 18734 7784 1 18 . 1 1 50 50 LEU CB C 50 36.390 36.390 42.455 -6.065 18734 7785 1 18 . 1 1 50 50 LEU H H 50 8.553 8.553 8.708 -0.155 18734 7786 1 18 . 1 1 51 51 THR N N 51 109.751 109.751 119.970 -10.219 18734 7787 1 18 . 1 1 51 51 THR HA H 51 3.935 3.935 4.407 -0.472 18734 7788 1 18 . 1 1 51 51 THR CA C 51 60.194 60.194 61.349 -1.155 18734 7789 1 18 . 1 1 51 51 THR CB C 51 66.107 66.107 67.722 -1.614 18734 7790 1 18 . 1 1 51 51 THR H H 51 6.964 6.964 8.504 -1.540 18734 7791 1 18 . 1 1 52 52 GLY N N 52 108.656 108.656 110.864 -2.208 18734 7792 1 18 . 1 1 52 52 GLY CA C 52 42.432 42.432 44.354 -1.922 18734 7793 1 18 . 1 1 52 52 GLY H H 52 8.409 8.409 7.779 0.630 18734 7794 1 18 . 1 1 53 53 GLU N N 53 119.733 119.733 119.156 0.577 18734 7795 1 18 . 1 1 53 53 GLU HA H 53 4.061 4.061 4.296 -0.235 18734 7796 1 18 . 1 1 53 53 GLU CA C 53 54.296 54.296 57.337 -3.041 18734 7797 1 18 . 1 1 53 53 GLU CB C 53 27.425 27.425 30.461 -3.036 18734 7798 1 18 . 1 1 53 53 GLU H H 53 8.741 8.741 8.728 0.013 18734 7799 1 18 . 1 1 54 54 ASP N N 54 118.231 118.231 115.294 2.937 18734 7800 1 18 . 1 1 54 54 ASP HA H 54 5.035 5.035 4.939 0.096 18734 7801 1 18 . 1 1 54 54 ASP CA C 54 46.882 46.882 51.237 -4.355 18734 7802 1 18 . 1 1 54 54 ASP CB C 54 39.822 39.822 42.840 -3.018 18734 7803 1 18 . 1 1 54 54 ASP H H 54 8.309 8.309 7.896 0.413 18734 7804 1 18 . 1 1 55 55 PRO HA H 55 3.920 3.920 3.045 0.875 18734 7805 1 18 . 1 1 55 55 PRO CA C 55 61.140 61.140 64.051 -2.911 18734 7806 1 18 . 1 1 55 55 PRO CB C 55 30.606 30.606 31.713 -1.107 18734 7807 1 18 . 1 1 56 56 SER N N 56 108.966 108.966 114.120 -5.154 18734 7808 1 18 . 1 1 56 56 SER HA H 56 4.494 4.494 4.334 0.160 18734 7809 1 18 . 1 1 56 56 SER CA C 56 57.752 57.752 60.846 -3.094 18734 7810 1 18 . 1 1 56 56 SER CB C 56 60.574 60.574 62.524 -1.950 18734 7811 1 18 . 1 1 56 56 SER H H 56 7.998 7.998 8.423 -0.425 18734 7812 1 18 . 1 1 57 57 ALA N N 57 123.346 123.346 122.504 0.842 18734 7813 1 18 . 1 1 57 57 ALA HA H 57 4.197 4.197 4.207 -0.010 18734 7814 1 18 . 1 1 57 57 ALA CA C 57 49.452 49.452 52.892 -3.440 18734 7815 1 18 . 1 1 57 57 ALA CB C 57 17.341 17.341 18.952 -1.611 18734 7816 1 18 . 1 1 57 57 ALA H H 57 7.770 7.770 8.052 -0.282 18734 7817 1 18 . 1 1 58 58 TYR N N 58 118.640 118.640 117.993 0.647 18734 7818 1 18 . 1 1 58 58 TYR HA H 58 4.844 4.844 4.784 0.060 18734 7819 1 18 . 1 1 58 58 TYR CA C 58 54.841 54.841 58.616 -3.775 18734 7820 1 18 . 1 1 58 58 TYR CB C 58 39.626 39.626 41.506 -1.880 18734 7821 1 18 . 1 1 58 58 TYR H H 58 7.878 7.878 7.727 0.151 18734 7822 1 18 . 1 1 59 59 SER N N 59 118.841 118.841 117.102 1.739 18734 7823 1 18 . 1 1 59 59 SER HA H 59 4.584 4.584 4.971 -0.387 18734 7824 1 18 . 1 1 59 59 SER CA C 59 54.332 54.332 57.753 -3.421 18734 7825 1 18 . 1 1 59 59 SER CB C 59 62.866 62.866 65.932 -3.066 18734 7826 1 18 . 1 1 59 59 SER H H 59 9.289 9.289 8.876 0.413 18734 7827 1 18 . 1 1 60 60 ALA N N 60 125.034 125.034 125.145 -0.111 18734 7828 1 18 . 1 1 60 60 ALA HA H 60 4.726 4.726 5.296 -0.570 18734 7829 1 18 . 1 1 60 60 ALA CB C 60 20.233 20.233 22.107 -1.874 18734 7830 1 18 . 1 1 60 60 ALA H H 60 7.473 7.473 8.293 -0.820 18734 7831 1 18 . 1 1 61 61 GLY N N 61 109.267 109.267 108.271 0.996 18734 7832 1 18 . 1 1 61 61 GLY CA C 61 41.504 41.504 44.426 -2.922 18734 7833 1 18 . 1 1 61 61 GLY H H 61 9.368 9.368 8.285 1.083 18734 7834 1 18 . 1 1 62 62 ASP N N 62 121.898 121.898 118.807 3.091 18734 7835 1 18 . 1 1 62 62 ASP HA H 62 4.673 4.673 4.643 0.030 18734 7836 1 18 . 1 1 62 62 ASP CB C 62 38.468 38.468 40.670 -2.202 18734 7837 1 18 . 1 1 62 62 ASP H H 62 9.236 9.236 8.593 0.643 18734 7838 1 18 . 1 1 63 63 GLY N N 63 111.438 111.438 106.260 5.178 18734 7839 1 18 . 1 1 63 63 GLY CA C 63 43.099 43.099 45.012 -1.913 18734 7840 1 18 . 1 1 63 63 GLY H H 63 8.774 8.774 7.563 1.211 18734 7841 1 18 . 1 1 64 64 LEU N N 64 125.900 125.900 123.403 2.497 18734 7842 1 18 . 1 1 64 64 LEU HA H 64 4.169 4.169 4.322 -0.153 18734 7843 1 18 . 1 1 64 64 LEU CA C 64 56.103 56.103 57.194 -1.091 18734 7844 1 18 . 1 1 64 64 LEU CB C 64 40.431 40.431 42.541 -2.110 18734 7845 1 18 . 1 1 64 64 LEU H H 64 7.483 7.483 8.039 -0.556 18734 7846 1 18 . 1 1 65 65 ARG N N 65 111.696 111.696 112.598 -0.902 18734 7847 1 18 . 1 1 65 65 ARG HA H 65 4.057 4.057 4.470 -0.413 18734 7848 1 18 . 1 1 65 65 ARG CA C 65 51.787 51.787 54.069 -2.282 18734 7849 1 18 . 1 1 65 65 ARG CB C 65 26.474 26.474 28.545 -2.071 18734 7850 1 18 . 1 1 65 65 ARG H H 65 8.071 8.071 7.806 0.265 18734 7851 1 18 . 1 1 66 66 ASP N N 66 120.559 120.559 122.366 -1.807 18734 7852 1 18 . 1 1 66 66 ASP HA H 66 4.121 4.121 4.490 -0.369 18734 7853 1 18 . 1 1 66 66 ASP CA C 66 53.462 53.462 56.297 -2.835 18734 7854 1 18 . 1 1 66 66 ASP CB C 66 37.557 37.557 41.518 -3.961 18734 7855 1 18 . 1 1 66 66 ASP H H 66 7.293 7.293 7.502 -0.209 18734 7856 1 18 . 1 1 67 67 GLY N N 67 110.131 110.131 111.806 -1.675 18734 7857 1 18 . 1 1 67 67 GLY CA C 67 43.985 43.985 45.141 -1.156 18734 7858 1 18 . 1 1 67 67 GLY H H 67 8.695 8.695 8.370 0.325 18734 7859 1 18 . 1 1 68 68 ALA N N 68 123.462 123.462 122.250 1.212 18734 7860 1 18 . 1 1 68 68 ALA HA H 68 4.385 4.385 4.657 -0.272 18734 7861 1 18 . 1 1 68 68 ALA CA C 68 49.065 49.065 50.976 -1.911 18734 7862 1 18 . 1 1 68 68 ALA CB C 68 19.402 19.402 22.099 -2.697 18734 7863 1 18 . 1 1 68 68 ALA H H 68 8.058 8.058 7.153 0.905 18734 7864 1 18 . 1 1 69 69 ASP N N 69 116.343 116.343 119.137 -2.794 18734 7865 1 18 . 1 1 69 69 ASP HA H 69 4.524 4.524 4.745 -0.221 18734 7866 1 18 . 1 1 69 69 ASP CA C 69 51.240 51.240 53.782 -2.542 18734 7867 1 18 . 1 1 69 69 ASP CB C 69 39.076 39.076 42.162 -3.086 18734 7868 1 18 . 1 1 69 69 ASP H H 69 8.721 8.721 8.261 0.460 18734 7869 1 18 . 1 1 70 70 PHE N N 70 113.658 113.658 118.990 -5.332 18734 7870 1 18 . 1 1 70 70 PHE HA H 70 4.648 4.648 5.130 -0.482 18734 7871 1 18 . 1 1 70 70 PHE CA C 70 52.114 52.114 54.983 -2.869 18734 7872 1 18 . 1 1 70 70 PHE CB C 70 38.375 38.375 40.982 -2.607 18734 7873 1 18 . 1 1 70 70 PHE H H 70 5.865 5.865 7.143 -1.278 18734 7874 1 18 . 1 1 71 71 LEU N N 71 119.766 119.766 119.916 -0.150 18734 7875 1 18 . 1 1 71 71 LEU HA H 71 4.915 4.915 4.688 0.227 18734 7876 1 18 . 1 1 71 71 LEU CA C 71 50.797 50.797 54.225 -3.428 18734 7877 1 18 . 1 1 71 71 LEU CB C 71 41.482 41.482 44.102 -2.620 18734 7878 1 18 . 1 1 71 71 LEU H H 71 7.964 7.964 8.147 -0.183 18734 7879 1 18 . 1 1 72 72 ILE N N 72 123.675 123.675 121.536 2.139 18734 7880 1 18 . 1 1 72 72 ILE HA H 72 4.728 4.728 4.537 0.191 18734 7881 1 18 . 1 1 72 72 ILE CB C 72 36.921 36.921 38.430 -1.509 18734 7882 1 18 . 1 1 72 72 ILE H H 72 9.073 9.073 8.924 0.149 18734 7883 1 18 . 1 1 73 73 CYS N N 73 125.409 125.409 125.903 -0.494 18734 7884 1 18 . 1 1 73 73 CYS HA H 73 5.534 5.534 5.310 0.224 18734 7885 1 18 . 1 1 73 73 CYS CA C 73 54.056 54.056 58.798 -4.742 18734 7886 1 18 . 1 1 73 73 CYS CB C 73 27.753 27.753 28.550 -0.797 18734 7887 1 18 . 1 1 73 73 CYS H H 73 9.060 9.060 9.029 0.031 18734 7888 1 18 . 1 1 74 74 VAL N N 74 114.408 114.408 114.650 -0.242 18734 7889 1 18 . 1 1 74 74 VAL HA H 74 4.951 4.951 4.797 0.154 18734 7890 1 18 . 1 1 74 74 VAL CA C 74 54.229 54.229 58.028 -3.799 18734 7891 1 18 . 1 1 74 74 VAL CB C 74 29.675 29.675 33.889 -4.213 18734 7892 1 18 . 1 1 74 74 VAL H H 74 7.938 7.938 8.512 -0.574 18734 7893 1 18 . 1 1 75 75 PRO HA H 75 4.283 4.283 4.601 -0.318 18734 7894 1 18 . 1 1 75 75 PRO CA C 75 60.889 60.889 62.529 -1.640 18734 7895 1 18 . 1 1 75 75 PRO CB C 75 29.499 29.499 32.492 -2.993 18734 7896 1 18 . 1 1 76 76 GLU N N 76 126.159 126.159 123.494 2.665 18734 7897 1 18 . 1 1 76 76 GLU HA H 76 3.664 3.664 3.842 -0.178 18734 7898 1 18 . 1 1 76 76 GLU CA C 76 58.112 58.112 59.583 -1.471 18734 7899 1 18 . 1 1 76 76 GLU CB C 76 26.894 26.894 28.848 -1.954 18734 7900 1 18 . 1 1 76 76 GLU H H 76 9.130 9.130 8.759 0.371 18734 7901 1 18 . 1 1 77 77 GLU N N 77 117.145 117.145 120.410 -3.265 18734 7902 1 18 . 1 1 77 77 GLU HA H 77 4.100 4.100 4.150 -0.050 18734 7903 1 18 . 1 1 77 77 GLU CA C 77 55.734 55.734 58.643 -2.909 18734 7904 1 18 . 1 1 77 77 GLU CB C 77 26.315 26.315 29.340 -3.025 18734 7905 1 18 . 1 1 77 77 GLU H H 77 9.350 9.350 8.648 0.702 18734 7906 1 18 . 1 1 78 78 ALA N N 78 120.398 120.398 120.480 -0.082 18734 7907 1 18 . 1 1 78 78 ALA HA H 78 4.699 4.699 4.349 0.350 18734 7908 1 18 . 1 1 78 78 ALA CB C 78 18.962 18.962 18.686 0.275 18734 7909 1 18 . 1 1 78 78 ALA H H 78 8.044 8.044 7.572 0.472 18734 7910 1 18 . 1 1 79 79 LEU N N 79 122.497 122.497 120.471 2.026 18734 7911 1 18 . 1 1 79 79 LEU HA H 79 3.710 3.710 3.885 -0.175 18734 7912 1 18 . 1 1 79 79 LEU CA C 79 56.837 56.837 58.002 -1.165 18734 7913 1 18 . 1 1 79 79 LEU CB C 79 40.952 40.952 41.853 -0.901 18734 7914 1 18 . 1 1 79 79 LEU H H 79 7.331 7.331 7.269 0.062 18734 7915 1 18 . 1 1 80 80 ASP N N 80 116.432 116.432 117.784 -1.352 18734 7916 1 18 . 1 1 80 80 ASP HA H 80 4.357 4.357 4.384 -0.027 18734 7917 1 18 . 1 1 80 80 ASP CA C 80 54.751 54.751 57.004 -2.253 18734 7918 1 18 . 1 1 80 80 ASP CB C 80 38.534 38.534 40.595 -2.061 18734 7919 1 18 . 1 1 80 80 ASP H H 80 8.305 8.305 8.633 -0.328 18734 7920 1 18 . 1 1 81 81 ARG N N 81 119.433 119.433 119.520 -0.087 18734 7921 1 18 . 1 1 81 81 ARG HA H 81 3.894 3.894 4.057 -0.163 18734 7922 1 18 . 1 1 81 81 ARG CA C 81 56.473 56.473 59.388 -2.914 18734 7923 1 18 . 1 1 81 81 ARG CB C 81 27.481 27.481 30.013 -2.532 18734 7924 1 18 . 1 1 81 81 ARG H H 81 7.638 7.638 8.403 -0.765 18734 7925 1 18 . 1 1 82 82 TYR N N 82 116.397 116.397 118.190 -1.793 18734 7926 1 18 . 1 1 82 82 TYR HA H 82 3.830 3.830 4.276 -0.446 18734 7927 1 18 . 1 1 82 82 TYR CA C 82 61.170 61.170 61.041 0.129 18734 7928 1 18 . 1 1 82 82 TYR CB C 82 37.031 37.031 37.486 -0.456 18734 7929 1 18 . 1 1 82 82 TYR H H 82 8.198 8.198 7.981 0.217 18734 7930 1 18 . 1 1 83 83 ARG N N 83 113.114 113.114 116.897 -3.783 18734 7931 1 18 . 1 1 83 83 ARG HA H 83 3.728 3.728 4.140 -0.412 18734 7932 1 18 . 1 1 83 83 ARG CA C 83 58.115 58.115 58.772 -0.657 18734 7933 1 18 . 1 1 83 83 ARG CB C 83 28.107 28.107 29.696 -1.589 18734 7934 1 18 . 1 1 83 83 ARG H H 83 8.151 8.151 7.754 0.397 18734 7935 1 18 . 1 1 84 84 ARG N N 84 111.791 111.791 115.950 -4.159 18734 7936 1 18 . 1 1 84 84 ARG HA H 84 4.386 4.386 4.344 0.042 18734 7937 1 18 . 1 1 84 84 ARG CA C 84 52.335 52.335 56.601 -4.266 18734 7938 1 18 . 1 1 84 84 ARG CB C 84 27.987 27.987 30.767 -2.780 18734 7939 1 18 . 1 1 84 84 ARG H H 84 7.571 7.571 7.509 0.062 18734 7940 1 18 . 1 1 85 85 ASP N N 85 123.157 123.157 120.995 2.162 18734 7941 1 18 . 1 1 85 85 ASP HA H 85 4.373 4.373 4.715 -0.342 18734 7942 1 18 . 1 1 85 85 ASP CA C 85 52.852 52.852 53.267 -0.415 18734 7943 1 18 . 1 1 85 85 ASP CB C 85 42.482 42.482 42.228 0.254 18734 7944 1 18 . 1 1 85 85 ASP H H 85 7.200 7.200 7.655 -0.455 18734 7945 1 18 . 1 1 86 86 TYR N N 86 123.389 123.389 128.588 -5.199 18734 7946 1 18 . 1 1 86 86 TYR HA H 86 4.092 4.092 4.179 -0.087 18734 7947 1 18 . 1 1 86 86 TYR CA C 86 58.674 58.674 61.743 -3.069 18734 7948 1 18 . 1 1 86 86 TYR CB C 86 35.801 35.801 38.702 -2.901 18734 7949 1 18 . 1 1 86 86 TYR H H 86 8.440 8.440 9.106 -0.666 18734 7950 1 18 . 1 1 87 87 PHE N N 87 117.092 117.092 119.284 -2.192 18734 7951 1 18 . 1 1 87 87 PHE HA H 87 4.378 4.378 4.361 0.017 18734 7952 1 18 . 1 1 87 87 PHE CA C 87 57.433 57.433 60.644 -3.211 18734 7953 1 18 . 1 1 87 87 PHE CB C 87 37.442 37.442 38.299 -0.857 18734 7954 1 18 . 1 1 87 87 PHE H H 87 7.931 7.931 8.706 -0.775 18734 7955 1 18 . 1 1 88 88 TRP N N 88 121.396 121.396 119.324 2.072 18734 7956 1 18 . 1 1 88 88 TRP HA H 88 3.798 3.798 4.078 -0.280 18734 7957 1 18 . 1 1 88 88 TRP CA C 88 59.544 59.544 60.028 -0.484 18734 7958 1 18 . 1 1 88 88 TRP CB C 88 26.293 26.293 29.011 -2.718 18734 7959 1 18 . 1 1 88 88 TRP H H 88 9.757 9.757 8.114 1.643 18734 7960 1 18 . 1 1 89 89 GLN N N 89 117.760 117.760 118.393 -0.633 18734 7961 1 18 . 1 1 89 89 GLN HA H 89 4.393 4.393 3.961 0.432 18734 7962 1 18 . 1 1 89 89 GLN CA C 89 55.882 55.882 59.128 -3.246 18734 7963 1 18 . 1 1 89 89 GLN CB C 89 30.198 30.198 28.373 1.825 18734 7964 1 18 . 1 1 89 89 GLN H H 89 8.490 8.490 8.624 -0.134 18734 7965 1 18 . 1 1 90 90 THR N N 90 118.285 118.285 115.738 2.547 18734 7966 1 18 . 1 1 90 90 THR HA H 90 3.686 3.686 4.059 -0.373 18734 7967 1 18 . 1 1 90 90 THR CA C 90 62.770 62.770 65.841 -3.071 18734 7968 1 18 . 1 1 90 90 THR CB C 90 66.664 66.664 68.755 -2.091 18734 7969 1 18 . 1 1 90 90 THR H H 90 7.932 7.932 8.038 -0.106 18734 7970 1 18 . 1 1 91 91 TYR N N 91 118.448 118.448 119.062 -0.614 18734 7971 1 18 . 1 1 91 91 TYR HA H 91 4.975 4.975 4.890 0.085 18734 7972 1 18 . 1 1 91 91 TYR CA C 91 55.511 55.511 58.310 -2.799 18734 7973 1 18 . 1 1 91 91 TYR CB C 91 37.126 37.126 37.311 -0.185 18734 7974 1 18 . 1 1 91 91 TYR H H 91 8.009 8.009 7.736 0.273 18734 7975 1 18 . 1 1 92 92 ALA N N 92 122.351 122.351 123.273 -0.922 18734 7976 1 18 . 1 1 92 92 ALA HA H 92 3.843 3.843 4.096 -0.253 18734 7977 1 18 . 1 1 92 92 ALA CA C 92 54.108 54.108 54.380 -0.272 18734 7978 1 18 . 1 1 92 92 ALA CB C 92 16.505 16.505 17.949 -1.444 18734 7979 1 18 . 1 1 92 92 ALA H H 92 7.665 7.665 7.995 -0.330 18734 7980 1 18 . 1 1 93 93 ALA N N 93 117.548 117.548 120.562 -3.014 18734 7981 1 18 . 1 1 93 93 ALA HA H 93 3.702 3.702 3.764 -0.062 18734 7982 1 18 . 1 1 93 93 ALA CA C 93 51.371 51.371 53.499 -2.128 18734 7983 1 18 . 1 1 93 93 ALA CB C 93 14.292 14.292 17.727 -3.435 18734 7984 1 18 . 1 1 93 93 ALA H H 93 8.275 8.275 7.674 0.601 18734 7985 1 18 . 1 1 94 94 TRP N N 94 115.303 115.303 114.198 1.105 18734 7986 1 18 . 1 1 94 94 TRP HA H 94 4.669 4.669 4.964 -0.295 18734 7987 1 18 . 1 1 94 94 TRP CB C 94 26.912 26.912 29.959 -3.047 18734 7988 1 18 . 1 1 94 94 TRP H H 94 8.203 8.203 7.723 0.480 18734 7989 1 18 . 1 1 95 95 ILE N N 95 120.680 120.680 120.642 0.038 18734 7990 1 18 . 1 1 95 95 ILE HA H 95 5.325 5.325 4.593 0.732 18734 7991 1 18 . 1 1 95 95 ILE CA C 95 57.930 57.930 61.493 -3.563 18734 7992 1 18 . 1 1 95 95 ILE CB C 95 36.508 36.508 38.890 -2.382 18734 7993 1 18 . 1 1 95 95 ILE H H 95 7.153 7.153 7.403 -0.250 18734 7994 1 18 . 1 1 96 96 GLN N N 96 128.223 128.223 122.726 5.497 18734 7995 1 18 . 1 1 96 96 GLN HA H 96 4.691 4.691 4.779 -0.088 18734 7996 1 18 . 1 1 96 96 GLN CB C 96 28.885 28.885 29.253 -0.368 18734 7997 1 18 . 1 1 96 96 GLN H H 96 9.189 9.189 8.022 1.167 18734 7998 1 18 . 1 1 97 97 PRO HA H 97 4.833 4.833 4.797 0.036 18734 7999 1 18 . 1 1 97 97 PRO CA C 97 59.122 59.122 62.510 -3.388 18734 8000 1 18 . 1 1 97 97 PRO CB C 97 29.515 29.515 32.573 -3.058 18734 8001 1 18 . 1 1 98 98 MET N N 98 120.815 120.815 118.871 1.944 18734 8002 1 18 . 1 1 98 98 MET HA H 98 4.116 4.116 4.478 -0.362 18734 8003 1 18 . 1 1 98 98 MET CA C 98 52.944 52.944 55.689 -2.745 18734 8004 1 18 . 1 1 98 98 MET CB C 98 30.981 30.981 33.078 -2.097 18734 8005 1 18 . 1 1 98 98 MET H H 98 8.551 8.551 8.281 0.270 18734 8006 1 18 . 1 1 99 99 GLU N N 99 124.677 124.677 118.869 5.808 18734 8007 1 18 . 1 1 99 99 GLU HA H 99 4.220 4.220 4.584 -0.364 18734 8008 1 18 . 1 1 99 99 GLU CA C 99 53.952 53.952 55.329 -1.377 18734 8009 1 18 . 1 1 99 99 GLU CB C 99 27.803 27.803 30.625 -2.822 18734 8010 1 18 . 1 1 99 99 GLU H H 99 8.532 8.532 8.325 0.207 18734 8011 1 19 . 1 1 2 2 SER HA H 2 4.373 4.373 4.729 -0.356 18734 8012 1 19 . 1 1 2 2 SER CA C 2 55.756 55.756 58.349 -2.593 18734 8013 1 19 . 1 1 2 2 SER CB C 2 61.143 61.143 63.828 -2.684 18734 8014 1 19 . 1 1 3 3 HIS HA H 3 4.613 4.613 4.880 -0.267 18734 8015 1 19 . 1 1 3 3 HIS CA C 3 52.991 52.991 56.009 -3.018 18734 8016 1 19 . 1 1 3 3 HIS CB C 3 26.607 26.607 30.231 -3.624 18734 8017 1 19 . 1 1 4 4 GLU N N 4 122.124 122.124 122.335 -0.211 18734 8018 1 19 . 1 1 4 4 GLU HA H 4 4.171 4.171 4.292 -0.121 18734 8019 1 19 . 1 1 4 4 GLU CA C 4 54.441 54.441 56.092 -1.651 18734 8020 1 19 . 1 1 4 4 GLU CB C 4 27.585 27.585 31.572 -3.987 18734 8021 1 19 . 1 1 4 4 GLU H H 4 8.415 8.415 8.438 -0.023 18734 8022 1 19 . 1 1 5 5 GLY N N 5 110.434 110.434 111.202 -0.768 18734 8023 1 19 . 1 1 5 5 GLY CA C 5 42.610 42.610 45.053 -2.443 18734 8024 1 19 . 1 1 5 5 GLY H H 5 8.488 8.488 8.434 0.054 18734 8025 1 19 . 1 1 6 6 GLU N N 6 121.376 121.376 122.924 -1.548 18734 8026 1 19 . 1 1 6 6 GLU HA H 6 4.560 4.560 4.428 0.132 18734 8027 1 19 . 1 1 6 6 GLU CA C 6 51.629 51.629 53.172 -1.543 18734 8028 1 19 . 1 1 6 6 GLU CB C 6 26.998 26.998 29.345 -2.347 18734 8029 1 19 . 1 1 6 6 GLU H H 6 7.954 7.954 8.252 -0.298 18734 8030 1 19 . 1 1 7 7 PRO HA H 7 4.464 4.464 4.304 0.160 18734 8031 1 19 . 1 1 7 7 PRO CA C 7 60.517 60.517 62.738 -2.221 18734 8032 1 19 . 1 1 7 7 PRO CB C 7 29.486 29.486 30.463 -0.977 18734 8033 1 19 . 1 1 8 8 VAL N N 8 120.493 120.493 119.821 0.672 18734 8034 1 19 . 1 1 8 8 VAL HA H 8 4.387 4.387 4.150 0.237 18734 8035 1 19 . 1 1 8 8 VAL CA C 8 58.483 58.483 60.391 -1.908 18734 8036 1 19 . 1 1 8 8 VAL CB C 8 31.177 31.177 35.359 -4.182 18734 8037 1 19 . 1 1 8 8 VAL H H 8 8.177 8.177 7.624 0.553 18734 8038 1 19 . 1 1 9 9 VAL N N 9 124.516 124.516 124.175 0.341 18734 8039 1 19 . 1 1 9 9 VAL HA H 9 4.024 4.024 4.179 -0.155 18734 8040 1 19 . 1 1 9 9 VAL CA C 9 60.336 60.336 62.911 -2.575 18734 8041 1 19 . 1 1 9 9 VAL CB C 9 29.995 29.995 32.672 -2.677 18734 8042 1 19 . 1 1 9 9 VAL H H 9 8.246 8.246 8.652 -0.406 18734 8043 1 19 . 1 1 10 10 GLY N N 10 114.968 114.968 117.060 -2.092 18734 8044 1 19 . 1 1 10 10 GLY CA C 10 42.318 42.318 45.022 -2.704 18734 8045 1 19 . 1 1 10 10 GLY H H 10 8.595 8.595 8.331 0.264 18734 8046 1 19 . 1 1 11 11 MET N N 11 120.532 120.532 118.726 1.806 18734 8047 1 19 . 1 1 11 11 MET CA C 11 53.802 53.802 56.460 -2.658 18734 8048 1 19 . 1 1 11 11 MET CB C 11 30.698 30.698 31.577 -0.879 18734 8049 1 19 . 1 1 11 11 MET H H 11 8.320 8.320 8.321 -0.001 18734 8050 1 19 . 1 1 12 12 ASP N N 12 120.515 120.515 118.768 1.747 18734 8051 1 19 . 1 1 12 12 ASP HA H 12 4.637 4.637 4.848 -0.211 18734 8052 1 19 . 1 1 12 12 ASP CB C 12 38.090 38.090 43.618 -5.528 18734 8053 1 19 . 1 1 12 12 ASP H H 12 8.261 8.261 8.032 0.229 18734 8054 1 19 . 1 1 13 13 LYS N N 13 123.685 123.685 126.073 -2.388 18734 8055 1 19 . 1 1 13 13 LYS HA H 13 4.623 4.623 4.953 -0.330 18734 8056 1 19 . 1 1 13 13 LYS CA C 13 50.898 50.898 55.827 -4.929 18734 8057 1 19 . 1 1 13 13 LYS CB C 13 30.003 30.003 31.321 -1.318 18734 8058 1 19 . 1 1 13 13 LYS H H 13 8.579 8.579 8.808 -0.229 18734 8059 1 19 . 1 1 14 14 SER N N 14 115.048 115.048 116.378 -1.330 18734 8060 1 19 . 1 1 14 14 SER HA H 14 4.447 4.447 4.660 -0.213 18734 8061 1 19 . 1 1 14 14 SER CA C 14 56.917 56.917 59.288 -2.371 18734 8062 1 19 . 1 1 14 14 SER CB C 14 61.536 61.536 64.020 -2.484 18734 8063 1 19 . 1 1 14 14 SER H H 14 8.507 8.507 8.953 -0.446 18734 8064 1 19 . 1 1 15 15 LEU N N 15 119.294 119.294 117.179 2.115 18734 8065 1 19 . 1 1 15 15 LEU HA H 15 3.989 3.989 4.576 -0.587 18734 8066 1 19 . 1 1 15 15 LEU CA C 15 53.219 53.219 54.979 -1.760 18734 8067 1 19 . 1 1 15 15 LEU CB C 15 39.813 39.813 41.916 -2.103 18734 8068 1 19 . 1 1 15 15 LEU H H 15 6.908 6.908 7.593 -0.685 18734 8069 1 19 . 1 1 16 16 PHE N N 16 117.103 117.103 118.750 -1.647 18734 8070 1 19 . 1 1 16 16 PHE HA H 16 4.397 4.397 4.784 -0.387 18734 8071 1 19 . 1 1 16 16 PHE CA C 16 56.719 56.719 57.952 -1.232 18734 8072 1 19 . 1 1 16 16 PHE CB C 16 37.917 37.917 39.934 -2.017 18734 8073 1 19 . 1 1 16 16 PHE H H 16 7.658 7.658 8.353 -0.695 18734 8074 1 19 . 1 1 17 17 ALA N N 17 120.694 120.694 122.647 -1.953 18734 8075 1 19 . 1 1 17 17 ALA HA H 17 3.964 3.964 4.796 -0.832 18734 8076 1 19 . 1 1 17 17 ALA CA C 17 51.840 51.840 51.883 -0.043 18734 8077 1 19 . 1 1 17 17 ALA CB C 17 15.004 15.004 19.242 -4.238 18734 8078 1 19 . 1 1 17 17 ALA H H 17 7.514 7.514 8.075 -0.561 18734 8079 1 19 . 1 1 18 18 GLY N N 18 110.007 110.007 105.581 4.426 18734 8080 1 19 . 1 1 18 18 GLY CA C 18 43.150 43.150 44.730 -1.580 18734 8081 1 19 . 1 1 18 18 GLY H H 18 8.204 8.204 8.302 -0.098 18734 8082 1 19 . 1 1 19 19 ASN N N 19 119.323 119.323 118.749 0.574 18734 8083 1 19 . 1 1 19 19 ASN HA H 19 4.733 4.733 4.918 -0.185 18734 8084 1 19 . 1 1 19 19 ASN CB C 19 36.020 36.020 39.432 -3.412 18734 8085 1 19 . 1 1 19 19 ASN H H 19 8.124 8.124 7.862 0.262 18734 8086 1 19 . 1 1 20 20 THR N N 20 116.844 116.844 116.779 0.065 18734 8087 1 19 . 1 1 20 20 THR HA H 20 4.243 4.243 4.253 -0.010 18734 8088 1 19 . 1 1 20 20 THR CA C 20 60.224 60.224 62.974 -2.750 18734 8089 1 19 . 1 1 20 20 THR CB C 20 66.167 66.167 68.752 -2.585 18734 8090 1 19 . 1 1 20 20 THR H H 20 8.400 8.400 8.629 -0.229 18734 8091 1 19 . 1 1 21 21 VAL N N 21 117.661 117.661 120.268 -2.607 18734 8092 1 19 . 1 1 21 21 VAL HA H 21 4.161 4.161 4.277 -0.116 18734 8093 1 19 . 1 1 21 21 VAL CA C 21 59.739 59.739 61.686 -1.947 18734 8094 1 19 . 1 1 21 21 VAL CB C 21 31.224 31.224 31.756 -0.532 18734 8095 1 19 . 1 1 21 21 VAL H H 21 8.412 8.412 7.275 1.137 18734 8096 1 19 . 1 1 22 22 ILE N N 22 120.465 120.465 121.284 -0.819 18734 8097 1 19 . 1 1 22 22 ILE HA H 22 3.873 3.873 4.420 -0.547 18734 8098 1 19 . 1 1 22 22 ILE CA C 22 59.860 59.860 59.532 0.328 18734 8099 1 19 . 1 1 22 22 ILE CB C 22 37.052 37.052 39.135 -2.083 18734 8100 1 19 . 1 1 22 22 ILE H H 22 7.300 7.300 7.508 -0.208 18734 8101 1 19 . 1 1 23 23 ARG N N 23 122.168 122.168 126.049 -3.881 18734 8102 1 19 . 1 1 23 23 ARG HA H 23 4.940 4.940 4.441 0.499 18734 8103 1 19 . 1 1 23 23 ARG CA C 23 54.175 54.175 57.710 -3.535 18734 8104 1 19 . 1 1 23 23 ARG CB C 23 30.921 30.921 30.955 -0.034 18734 8105 1 19 . 1 1 23 23 ARG H H 23 8.328 8.328 8.675 -0.347 18734 8106 1 19 . 1 1 24 24 GLU N N 24 117.968 117.968 116.671 1.297 18734 8107 1 19 . 1 1 24 24 GLU HA H 24 5.100 5.100 4.934 0.166 18734 8108 1 19 . 1 1 24 24 GLU CA C 24 51.948 51.948 55.209 -3.261 18734 8109 1 19 . 1 1 24 24 GLU CB C 24 30.737 30.737 32.948 -2.211 18734 8110 1 19 . 1 1 24 24 GLU H H 24 7.474 7.474 7.688 -0.214 18734 8111 1 19 . 1 1 25 25 ILE N N 25 121.135 121.135 127.064 -5.929 18734 8112 1 19 . 1 1 25 25 ILE HA H 25 4.205 4.205 4.453 -0.248 18734 8113 1 19 . 1 1 25 25 ILE CA C 25 57.149 57.149 60.144 -2.995 18734 8114 1 19 . 1 1 25 25 ILE CB C 25 39.882 39.882 39.305 0.577 18734 8115 1 19 . 1 1 25 25 ILE H H 25 7.591 7.591 8.584 -0.993 18734 8116 1 19 . 1 1 26 26 THR N N 26 122.935 122.935 124.069 -1.134 18734 8117 1 19 . 1 1 26 26 THR HA H 26 4.999 4.999 4.502 0.497 18734 8118 1 19 . 1 1 26 26 THR CA C 26 59.185 59.185 63.709 -4.524 18734 8119 1 19 . 1 1 26 26 THR CB C 26 67.259 67.259 69.424 -2.165 18734 8120 1 19 . 1 1 26 26 THR H H 26 8.243 8.243 8.630 -0.387 18734 8121 1 19 . 1 1 27 27 VAL N N 27 124.220 124.220 121.535 2.685 18734 8122 1 19 . 1 1 27 27 VAL HA H 27 4.421 4.421 4.583 -0.162 18734 8123 1 19 . 1 1 27 27 VAL CA C 27 58.144 58.144 60.133 -1.989 18734 8124 1 19 . 1 1 27 27 VAL CB C 27 30.727 30.727 36.049 -5.322 18734 8125 1 19 . 1 1 27 27 VAL H H 27 9.216 9.216 8.804 0.412 18734 8126 1 19 . 1 1 28 28 GLN N N 28 129.280 129.280 119.026 10.254 18734 8127 1 19 . 1 1 28 28 GLN HA H 28 4.702 4.702 5.109 -0.407 18734 8128 1 19 . 1 1 28 28 GLN CB C 28 25.480 25.480 30.103 -4.623 18734 8129 1 19 . 1 1 28 28 GLN H H 28 8.782 8.782 8.436 0.346 18734 8130 1 19 . 1 1 29 29 PRO HA H 29 3.457 3.457 3.127 0.330 18734 8131 1 19 . 1 1 29 29 PRO CA C 29 60.712 60.712 62.436 -1.724 18734 8132 1 19 . 1 1 29 29 PRO CB C 29 30.122 30.122 32.183 -2.061 18734 8133 1 19 . 1 1 30 30 ASN N N 30 113.396 113.396 117.644 -4.248 18734 8134 1 19 . 1 1 30 30 ASN HA H 30 4.329 4.329 4.129 0.200 18734 8135 1 19 . 1 1 30 30 ASN CA C 30 51.999 51.999 54.408 -2.409 18734 8136 1 19 . 1 1 30 30 ASN CB C 30 34.627 34.627 36.846 -2.220 18734 8137 1 19 . 1 1 30 30 ASN H H 30 8.199 8.199 8.537 -0.339 18734 8138 1 19 . 1 1 31 31 ILE N N 31 115.907 115.907 120.469 -4.562 18734 8139 1 19 . 1 1 31 31 ILE HA H 31 4.395 4.395 4.336 0.059 18734 8140 1 19 . 1 1 31 31 ILE CA C 31 57.434 57.434 59.715 -2.281 18734 8141 1 19 . 1 1 31 31 ILE CB C 31 36.859 36.859 38.355 -1.496 18734 8142 1 19 . 1 1 31 31 ILE H H 31 8.201 8.201 7.936 0.265 18734 8143 1 19 . 1 1 32 32 GLY N N 32 111.217 111.217 109.019 2.198 18734 8144 1 19 . 1 1 32 32 GLY CA C 32 41.729 41.729 44.398 -2.669 18734 8145 1 19 . 1 1 32 32 GLY H H 32 7.998 7.998 7.813 0.185 18734 8146 1 19 . 1 1 33 33 LEU N N 33 120.007 120.007 122.444 -2.437 18734 8147 1 19 . 1 1 33 33 LEU HA H 33 3.880 3.880 4.231 -0.351 18734 8148 1 19 . 1 1 33 33 LEU CA C 33 53.595 53.595 55.120 -1.525 18734 8149 1 19 . 1 1 33 33 LEU CB C 33 40.528 40.528 42.600 -2.072 18734 8150 1 19 . 1 1 33 33 LEU H H 33 7.820 7.820 8.379 -0.559 18734 8151 1 19 . 1 1 34 34 LEU N N 34 128.106 128.106 130.186 -2.080 18734 8152 1 19 . 1 1 34 34 LEU HA H 34 4.485 4.485 4.300 0.185 18734 8153 1 19 . 1 1 34 34 LEU CA C 34 51.078 51.078 53.521 -2.443 18734 8154 1 19 . 1 1 34 34 LEU CB C 34 37.447 37.447 39.744 -2.297 18734 8155 1 19 . 1 1 34 34 LEU H H 34 8.551 8.551 8.626 -0.075 18734 8156 1 19 . 1 1 35 35 TYR N N 35 121.473 121.473 120.195 1.278 18734 8157 1 19 . 1 1 35 35 TYR HA H 35 4.240 4.240 4.400 -0.160 18734 8158 1 19 . 1 1 35 35 TYR CA C 35 53.814 53.814 56.008 -2.194 18734 8159 1 19 . 1 1 35 35 TYR CB C 35 36.868 36.868 38.708 -1.839 18734 8160 1 19 . 1 1 35 35 TYR H H 35 6.363 6.363 7.761 -1.398 18734 8161 1 19 . 1 1 36 36 ASP N N 36 119.590 119.590 119.458 0.132 18734 8162 1 19 . 1 1 36 36 ASP HA H 36 3.980 3.980 4.644 -0.664 18734 8163 1 19 . 1 1 36 36 ASP CA C 36 52.760 52.760 53.792 -1.032 18734 8164 1 19 . 1 1 36 36 ASP CB C 36 37.119 37.119 41.078 -3.959 18734 8165 1 19 . 1 1 36 36 ASP H H 36 8.573 8.573 8.428 0.145 18734 8166 1 19 . 1 1 37 37 GLY N N 37 108.636 108.636 111.147 -2.511 18734 8167 1 19 . 1 1 37 37 GLY CA C 37 44.335 44.335 45.429 -1.094 18734 8168 1 19 . 1 1 37 37 GLY H H 37 7.903 7.903 8.794 -0.891 18734 8169 1 19 . 1 1 38 38 MET N N 38 120.339 120.339 118.917 1.422 18734 8170 1 19 . 1 1 38 38 MET HA H 38 3.631 3.631 3.697 -0.066 18734 8171 1 19 . 1 1 38 38 MET CA C 38 56.101 56.101 57.922 -1.821 18734 8172 1 19 . 1 1 38 38 MET CB C 38 29.166 29.166 31.773 -2.607 18734 8173 1 19 . 1 1 38 38 MET H H 38 7.873 7.873 7.301 0.572 18734 8174 1 19 . 1 1 39 39 PHE N N 39 115.430 115.430 110.598 4.832 18734 8175 1 19 . 1 1 39 39 PHE HA H 39 4.908 4.908 4.904 0.004 18734 8176 1 19 . 1 1 39 39 PHE CA C 39 52.898 52.898 56.030 -3.132 18734 8177 1 19 . 1 1 39 39 PHE CB C 39 36.647 36.647 39.302 -2.655 18734 8178 1 19 . 1 1 39 39 PHE H H 39 8.504 8.504 7.329 1.175 18734 8179 1 19 . 1 1 40 40 SER N N 40 113.647 113.647 117.007 -3.360 18734 8180 1 19 . 1 1 40 40 SER HA H 40 4.238 4.238 4.242 -0.004 18734 8181 1 19 . 1 1 40 40 SER CA C 40 56.954 56.954 59.779 -2.825 18734 8182 1 19 . 1 1 40 40 SER CB C 40 60.458 60.458 62.762 -2.304 18734 8183 1 19 . 1 1 40 40 SER H H 40 7.264 7.264 7.670 -0.406 18734 8184 1 19 . 1 1 41 41 GLY N N 41 115.225 115.225 115.640 -0.415 18734 8185 1 19 . 1 1 41 41 GLY CA C 41 42.941 42.941 44.862 -1.921 18734 8186 1 19 . 1 1 41 41 GLY H H 41 9.110 9.110 8.635 0.475 18734 8187 1 19 . 1 1 42 42 CYS N N 42 120.385 120.385 122.814 -2.429 18734 8188 1 19 . 1 1 42 42 CYS HA H 42 4.761 4.761 4.370 0.391 18734 8189 1 19 . 1 1 42 42 CYS CB C 42 23.867 23.867 26.525 -2.658 18734 8190 1 19 . 1 1 42 42 CYS H H 42 7.929 7.929 7.993 -0.064 18734 8191 1 19 . 1 1 43 43 THR N N 43 113.920 113.920 117.500 -3.580 18734 8192 1 19 . 1 1 43 43 THR HA H 43 3.863 3.863 4.165 -0.302 18734 8193 1 19 . 1 1 43 43 THR CA C 43 61.663 61.663 64.469 -2.805 18734 8194 1 19 . 1 1 43 43 THR CB C 43 66.027 66.027 68.656 -2.629 18734 8195 1 19 . 1 1 43 43 THR H H 43 7.495 7.495 8.643 -1.148 18734 8196 1 19 . 1 1 44 44 ALA N N 44 123.479 123.479 125.410 -1.931 18734 8197 1 19 . 1 1 44 44 ALA HA H 44 4.477 4.477 4.627 -0.150 18734 8198 1 19 . 1 1 44 44 ALA CA C 44 48.198 48.198 51.107 -2.909 18734 8199 1 19 . 1 1 44 44 ALA CB C 44 17.096 17.096 19.464 -2.368 18734 8200 1 19 . 1 1 44 44 ALA H H 44 8.551 8.551 8.126 0.425 18734 8201 1 19 . 1 1 45 45 LEU N N 45 121.070 121.070 121.834 -0.764 18734 8202 1 19 . 1 1 45 45 LEU HA H 45 3.981 3.981 4.955 -0.974 18734 8203 1 19 . 1 1 45 45 LEU CA C 45 53.838 53.838 54.525 -0.687 18734 8204 1 19 . 1 1 45 45 LEU CB C 45 40.243 40.243 43.519 -3.276 18734 8205 1 19 . 1 1 45 45 LEU H H 45 6.819 6.819 7.594 -0.775 18734 8206 1 19 . 1 1 46 46 GLU N N 46 128.627 128.627 122.013 6.614 18734 8207 1 19 . 1 1 46 46 GLU HA H 46 4.511 4.511 4.717 -0.206 18734 8208 1 19 . 1 1 46 46 GLU CA C 46 54.357 54.357 55.700 -1.343 18734 8209 1 19 . 1 1 46 46 GLU CB C 46 29.883 29.883 31.966 -2.083 18734 8210 1 19 . 1 1 46 46 GLU H H 46 9.401 9.401 8.484 0.917 18734 8211 1 19 . 1 1 47 47 LYS N N 47 116.297 116.297 119.161 -2.864 18734 8212 1 19 . 1 1 47 47 LYS HA H 47 5.128 5.128 5.184 -0.056 18734 8213 1 19 . 1 1 47 47 LYS CA C 47 52.808 52.808 55.157 -2.349 18734 8214 1 19 . 1 1 47 47 LYS CB C 47 35.325 35.325 37.490 -2.165 18734 8215 1 19 . 1 1 47 47 LYS H H 47 7.171 7.171 7.970 -0.799 18734 8216 1 19 . 1 1 48 48 LEU N N 48 125.474 125.474 121.919 3.555 18734 8217 1 19 . 1 1 48 48 LEU HA H 48 4.403 4.403 5.163 -0.760 18734 8218 1 19 . 1 1 48 48 LEU CA C 48 50.489 50.489 53.302 -2.813 18734 8219 1 19 . 1 1 48 48 LEU CB C 48 41.991 41.991 46.019 -4.028 18734 8220 1 19 . 1 1 48 48 LEU H H 48 8.715 8.715 8.735 -0.020 18734 8221 1 19 . 1 1 49 49 ILE N N 49 127.246 127.246 123.873 3.373 18734 8222 1 19 . 1 1 49 49 ILE HA H 49 4.145 4.145 4.759 -0.614 18734 8223 1 19 . 1 1 49 49 ILE CA C 49 58.314 58.314 60.262 -1.948 18734 8224 1 19 . 1 1 49 49 ILE CB C 49 36.125 36.125 42.086 -5.961 18734 8225 1 19 . 1 1 49 49 ILE H H 49 9.131 9.131 8.837 0.294 18734 8226 1 19 . 1 1 50 50 LEU N N 50 128.685 128.685 124.667 4.018 18734 8227 1 19 . 1 1 50 50 LEU HA H 50 4.417 4.417 5.140 -0.723 18734 8228 1 19 . 1 1 50 50 LEU CA C 50 50.414 50.414 54.114 -3.700 18734 8229 1 19 . 1 1 50 50 LEU CB C 50 36.390 36.390 43.568 -7.178 18734 8230 1 19 . 1 1 50 50 LEU H H 50 8.553 8.553 8.686 -0.133 18734 8231 1 19 . 1 1 51 51 THR N N 51 109.751 109.751 115.055 -5.304 18734 8232 1 19 . 1 1 51 51 THR HA H 51 3.935 3.935 4.405 -0.470 18734 8233 1 19 . 1 1 51 51 THR CA C 51 60.194 60.194 62.026 -1.832 18734 8234 1 19 . 1 1 51 51 THR CB C 51 66.107 66.107 67.856 -1.749 18734 8235 1 19 . 1 1 51 51 THR H H 51 6.964 6.964 8.925 -1.961 18734 8236 1 19 . 1 1 52 52 GLY N N 52 108.656 108.656 109.603 -0.947 18734 8237 1 19 . 1 1 52 52 GLY CA C 52 42.432 42.432 44.624 -2.192 18734 8238 1 19 . 1 1 52 52 GLY H H 52 8.409 8.409 7.654 0.755 18734 8239 1 19 . 1 1 53 53 GLU N N 53 119.733 119.733 118.099 1.634 18734 8240 1 19 . 1 1 53 53 GLU HA H 53 4.061 4.061 4.414 -0.353 18734 8241 1 19 . 1 1 53 53 GLU CA C 53 54.296 54.296 56.202 -1.906 18734 8242 1 19 . 1 1 53 53 GLU CB C 53 27.425 27.425 30.114 -2.689 18734 8243 1 19 . 1 1 53 53 GLU H H 53 8.741 8.741 8.687 0.054 18734 8244 1 19 . 1 1 54 54 ASP N N 54 118.231 118.231 115.314 2.917 18734 8245 1 19 . 1 1 54 54 ASP HA H 54 5.035 5.035 4.836 0.199 18734 8246 1 19 . 1 1 54 54 ASP CA C 54 46.882 46.882 51.346 -4.464 18734 8247 1 19 . 1 1 54 54 ASP CB C 54 39.822 39.822 41.639 -1.817 18734 8248 1 19 . 1 1 54 54 ASP H H 54 8.309 8.309 7.639 0.670 18734 8249 1 19 . 1 1 55 55 PRO HA H 55 3.920 3.920 3.741 0.179 18734 8250 1 19 . 1 1 55 55 PRO CA C 55 61.140 61.140 64.639 -3.499 18734 8251 1 19 . 1 1 55 55 PRO CB C 55 30.606 30.606 32.193 -1.587 18734 8252 1 19 . 1 1 56 56 SER N N 56 108.966 108.966 114.382 -5.416 18734 8253 1 19 . 1 1 56 56 SER HA H 56 4.494 4.494 4.374 0.120 18734 8254 1 19 . 1 1 56 56 SER CA C 56 57.752 57.752 60.088 -2.336 18734 8255 1 19 . 1 1 56 56 SER CB C 56 60.574 60.574 62.887 -2.313 18734 8256 1 19 . 1 1 56 56 SER H H 56 7.998 7.998 8.447 -0.449 18734 8257 1 19 . 1 1 57 57 ALA N N 57 123.346 123.346 122.468 0.878 18734 8258 1 19 . 1 1 57 57 ALA HA H 57 4.197 4.197 4.270 -0.073 18734 8259 1 19 . 1 1 57 57 ALA CA C 57 49.452 49.452 52.619 -3.167 18734 8260 1 19 . 1 1 57 57 ALA CB C 57 17.341 17.341 19.146 -1.805 18734 8261 1 19 . 1 1 57 57 ALA H H 57 7.770 7.770 7.994 -0.224 18734 8262 1 19 . 1 1 58 58 TYR N N 58 118.640 118.640 117.608 1.032 18734 8263 1 19 . 1 1 58 58 TYR HA H 58 4.844 4.844 4.691 0.153 18734 8264 1 19 . 1 1 58 58 TYR CA C 58 54.841 54.841 57.615 -2.774 18734 8265 1 19 . 1 1 58 58 TYR CB C 58 39.626 39.626 42.372 -2.746 18734 8266 1 19 . 1 1 58 58 TYR H H 58 7.878 7.878 7.777 0.101 18734 8267 1 19 . 1 1 59 59 SER N N 59 118.841 118.841 114.719 4.122 18734 8268 1 19 . 1 1 59 59 SER HA H 59 4.584 4.584 4.708 -0.124 18734 8269 1 19 . 1 1 59 59 SER CA C 59 54.332 54.332 57.139 -2.807 18734 8270 1 19 . 1 1 59 59 SER CB C 59 62.866 62.866 65.614 -2.748 18734 8271 1 19 . 1 1 59 59 SER H H 59 9.289 9.289 8.704 0.585 18734 8272 1 19 . 1 1 60 60 ALA N N 60 125.034 125.034 126.227 -1.193 18734 8273 1 19 . 1 1 60 60 ALA HA H 60 4.726 4.726 5.310 -0.584 18734 8274 1 19 . 1 1 60 60 ALA CB C 60 20.233 20.233 21.760 -1.527 18734 8275 1 19 . 1 1 60 60 ALA H H 60 7.473 7.473 8.282 -0.809 18734 8276 1 19 . 1 1 61 61 GLY N N 61 109.267 109.267 108.178 1.089 18734 8277 1 19 . 1 1 61 61 GLY CA C 61 41.504 41.504 44.897 -3.393 18734 8278 1 19 . 1 1 61 61 GLY H H 61 9.368 9.368 8.160 1.208 18734 8279 1 19 . 1 1 62 62 ASP N N 62 121.898 121.898 121.591 0.307 18734 8280 1 19 . 1 1 62 62 ASP HA H 62 4.673 4.673 4.996 -0.323 18734 8281 1 19 . 1 1 62 62 ASP CB C 62 38.468 38.468 41.883 -3.415 18734 8282 1 19 . 1 1 62 62 ASP H H 62 9.236 9.236 8.520 0.716 18734 8283 1 19 . 1 1 63 63 GLY N N 63 111.438 111.438 106.704 4.734 18734 8284 1 19 . 1 1 63 63 GLY CA C 63 43.099 43.099 45.133 -2.034 18734 8285 1 19 . 1 1 63 63 GLY H H 63 8.774 8.774 7.755 1.019 18734 8286 1 19 . 1 1 64 64 LEU N N 64 125.900 125.900 125.338 0.562 18734 8287 1 19 . 1 1 64 64 LEU HA H 64 4.169 4.169 4.104 0.065 18734 8288 1 19 . 1 1 64 64 LEU CA C 64 56.103 56.103 57.234 -1.131 18734 8289 1 19 . 1 1 64 64 LEU CB C 64 40.431 40.431 42.337 -1.907 18734 8290 1 19 . 1 1 64 64 LEU H H 64 7.483 7.483 8.143 -0.660 18734 8291 1 19 . 1 1 65 65 ARG N N 65 111.696 111.696 114.666 -2.970 18734 8292 1 19 . 1 1 65 65 ARG HA H 65 4.057 4.057 4.395 -0.338 18734 8293 1 19 . 1 1 65 65 ARG CA C 65 51.787 51.787 54.147 -2.360 18734 8294 1 19 . 1 1 65 65 ARG CB C 65 26.474 26.474 28.540 -2.066 18734 8295 1 19 . 1 1 65 65 ARG H H 65 8.071 8.071 7.382 0.689 18734 8296 1 19 . 1 1 66 66 ASP N N 66 120.559 120.559 121.263 -0.704 18734 8297 1 19 . 1 1 66 66 ASP HA H 66 4.121 4.121 4.481 -0.360 18734 8298 1 19 . 1 1 66 66 ASP CA C 66 53.462 53.462 55.869 -2.407 18734 8299 1 19 . 1 1 66 66 ASP CB C 66 37.557 37.557 42.277 -4.720 18734 8300 1 19 . 1 1 66 66 ASP H H 66 7.293 7.293 7.662 -0.369 18734 8301 1 19 . 1 1 67 67 GLY N N 67 110.131 110.131 111.232 -1.101 18734 8302 1 19 . 1 1 67 67 GLY CA C 67 43.985 43.985 45.275 -1.290 18734 8303 1 19 . 1 1 67 67 GLY H H 67 8.695 8.695 8.680 0.015 18734 8304 1 19 . 1 1 68 68 ALA N N 68 123.462 123.462 122.057 1.405 18734 8305 1 19 . 1 1 68 68 ALA HA H 68 4.385 4.385 4.632 -0.247 18734 8306 1 19 . 1 1 68 68 ALA CA C 68 49.065 49.065 52.105 -3.039 18734 8307 1 19 . 1 1 68 68 ALA CB C 68 19.402 19.402 21.387 -1.985 18734 8308 1 19 . 1 1 68 68 ALA H H 68 8.058 8.058 7.147 0.911 18734 8309 1 19 . 1 1 69 69 ASP N N 69 116.343 116.343 118.849 -2.506 18734 8310 1 19 . 1 1 69 69 ASP HA H 69 4.524 4.524 4.805 -0.281 18734 8311 1 19 . 1 1 69 69 ASP CA C 69 51.240 51.240 53.411 -2.171 18734 8312 1 19 . 1 1 69 69 ASP CB C 69 39.076 39.076 41.472 -2.397 18734 8313 1 19 . 1 1 69 69 ASP H H 69 8.721 8.721 8.681 0.040 18734 8314 1 19 . 1 1 70 70 PHE N N 70 113.658 113.658 119.069 -5.411 18734 8315 1 19 . 1 1 70 70 PHE HA H 70 4.648 4.648 4.747 -0.099 18734 8316 1 19 . 1 1 70 70 PHE CA C 70 52.114 52.114 55.947 -3.833 18734 8317 1 19 . 1 1 70 70 PHE CB C 70 38.375 38.375 39.871 -1.496 18734 8318 1 19 . 1 1 70 70 PHE H H 70 5.865 5.865 7.339 -1.474 18734 8319 1 19 . 1 1 71 71 LEU N N 71 119.766 119.766 121.117 -1.351 18734 8320 1 19 . 1 1 71 71 LEU HA H 71 4.915 4.915 4.786 0.129 18734 8321 1 19 . 1 1 71 71 LEU CA C 71 50.797 50.797 53.765 -2.968 18734 8322 1 19 . 1 1 71 71 LEU CB C 71 41.482 41.482 46.100 -4.618 18734 8323 1 19 . 1 1 71 71 LEU H H 71 7.964 7.964 8.087 -0.123 18734 8324 1 19 . 1 1 72 72 ILE N N 72 123.675 123.675 121.787 1.888 18734 8325 1 19 . 1 1 72 72 ILE HA H 72 4.728 4.728 4.829 -0.101 18734 8326 1 19 . 1 1 72 72 ILE CB C 72 36.921 36.921 41.047 -4.126 18734 8327 1 19 . 1 1 72 72 ILE H H 72 9.073 9.073 8.946 0.127 18734 8328 1 19 . 1 1 73 73 CYS N N 73 125.409 125.409 124.173 1.236 18734 8329 1 19 . 1 1 73 73 CYS HA H 73 5.534 5.534 5.473 0.061 18734 8330 1 19 . 1 1 73 73 CYS CA C 73 54.056 54.056 57.486 -3.429 18734 8331 1 19 . 1 1 73 73 CYS CB C 73 27.753 27.753 29.794 -2.042 18734 8332 1 19 . 1 1 73 73 CYS H H 73 9.060 9.060 8.339 0.721 18734 8333 1 19 . 1 1 74 74 VAL N N 74 114.408 114.408 118.225 -3.817 18734 8334 1 19 . 1 1 74 74 VAL HA H 74 4.951 4.951 4.907 0.044 18734 8335 1 19 . 1 1 74 74 VAL CA C 74 54.229 54.229 57.565 -3.336 18734 8336 1 19 . 1 1 74 74 VAL CB C 74 29.675 29.675 34.345 -4.670 18734 8337 1 19 . 1 1 74 74 VAL H H 74 7.938 7.938 8.799 -0.861 18734 8338 1 19 . 1 1 75 75 PRO HA H 75 4.283 4.283 4.640 -0.357 18734 8339 1 19 . 1 1 75 75 PRO CA C 75 60.889 60.889 62.790 -1.901 18734 8340 1 19 . 1 1 75 75 PRO CB C 75 29.499 29.499 32.525 -3.026 18734 8341 1 19 . 1 1 76 76 GLU N N 76 126.159 126.159 123.383 2.776 18734 8342 1 19 . 1 1 76 76 GLU HA H 76 3.664 3.664 3.968 -0.304 18734 8343 1 19 . 1 1 76 76 GLU CA C 76 58.112 58.112 59.677 -1.565 18734 8344 1 19 . 1 1 76 76 GLU CB C 76 26.894 26.894 28.951 -2.057 18734 8345 1 19 . 1 1 76 76 GLU H H 76 9.130 9.130 8.932 0.198 18734 8346 1 19 . 1 1 77 77 GLU N N 77 117.145 117.145 119.391 -2.246 18734 8347 1 19 . 1 1 77 77 GLU HA H 77 4.100 4.100 4.225 -0.125 18734 8348 1 19 . 1 1 77 77 GLU CA C 77 55.734 55.734 57.403 -1.669 18734 8349 1 19 . 1 1 77 77 GLU CB C 77 26.315 26.315 29.034 -2.719 18734 8350 1 19 . 1 1 77 77 GLU H H 77 9.350 9.350 8.457 0.893 18734 8351 1 19 . 1 1 78 78 ALA N N 78 120.398 120.398 120.626 -0.228 18734 8352 1 19 . 1 1 78 78 ALA HA H 78 4.699 4.699 4.424 0.275 18734 8353 1 19 . 1 1 78 78 ALA CB C 78 18.962 18.962 19.038 -0.076 18734 8354 1 19 . 1 1 78 78 ALA H H 78 8.044 8.044 8.097 -0.053 18734 8355 1 19 . 1 1 79 79 LEU N N 79 122.497 122.497 120.747 1.750 18734 8356 1 19 . 1 1 79 79 LEU HA H 79 3.710 3.710 4.298 -0.588 18734 8357 1 19 . 1 1 79 79 LEU CA C 79 56.837 56.837 58.331 -1.494 18734 8358 1 19 . 1 1 79 79 LEU CB C 79 40.952 40.952 42.260 -1.308 18734 8359 1 19 . 1 1 79 79 LEU H H 79 7.331 7.331 7.642 -0.311 18734 8360 1 19 . 1 1 80 80 ASP N N 80 116.432 116.432 117.435 -1.003 18734 8361 1 19 . 1 1 80 80 ASP HA H 80 4.357 4.357 4.281 0.076 18734 8362 1 19 . 1 1 80 80 ASP CA C 80 54.751 54.751 57.241 -2.490 18734 8363 1 19 . 1 1 80 80 ASP CB C 80 38.534 38.534 40.635 -2.101 18734 8364 1 19 . 1 1 80 80 ASP H H 80 8.305 8.305 8.509 -0.204 18734 8365 1 19 . 1 1 81 81 ARG N N 81 119.433 119.433 120.357 -0.924 18734 8366 1 19 . 1 1 81 81 ARG HA H 81 3.894 3.894 3.998 -0.104 18734 8367 1 19 . 1 1 81 81 ARG CA C 81 56.473 56.473 59.436 -2.963 18734 8368 1 19 . 1 1 81 81 ARG CB C 81 27.481 27.481 30.113 -2.631 18734 8369 1 19 . 1 1 81 81 ARG H H 81 7.638 7.638 7.795 -0.157 18734 8370 1 19 . 1 1 82 82 TYR N N 82 116.397 116.397 117.475 -1.078 18734 8371 1 19 . 1 1 82 82 TYR HA H 82 3.830 3.830 4.229 -0.399 18734 8372 1 19 . 1 1 82 82 TYR CA C 82 61.170 61.170 59.804 1.366 18734 8373 1 19 . 1 1 82 82 TYR CB C 82 37.031 37.031 37.471 -0.440 18734 8374 1 19 . 1 1 82 82 TYR H H 82 8.198 8.198 8.402 -0.204 18734 8375 1 19 . 1 1 83 83 ARG N N 83 113.114 113.114 117.160 -4.046 18734 8376 1 19 . 1 1 83 83 ARG HA H 83 3.728 3.728 3.949 -0.221 18734 8377 1 19 . 1 1 83 83 ARG CA C 83 58.115 58.115 58.418 -0.303 18734 8378 1 19 . 1 1 83 83 ARG CB C 83 28.107 28.107 29.772 -1.665 18734 8379 1 19 . 1 1 83 83 ARG H H 83 8.151 8.151 6.852 1.299 18734 8380 1 19 . 1 1 84 84 ARG N N 84 111.791 111.791 116.609 -4.818 18734 8381 1 19 . 1 1 84 84 ARG HA H 84 4.386 4.386 4.442 -0.056 18734 8382 1 19 . 1 1 84 84 ARG CA C 84 52.335 52.335 55.585 -3.250 18734 8383 1 19 . 1 1 84 84 ARG CB C 84 27.987 27.987 30.430 -2.443 18734 8384 1 19 . 1 1 84 84 ARG H H 84 7.571 7.571 7.289 0.282 18734 8385 1 19 . 1 1 85 85 ASP N N 85 123.157 123.157 120.478 2.679 18734 8386 1 19 . 1 1 85 85 ASP HA H 85 4.373 4.373 4.666 -0.293 18734 8387 1 19 . 1 1 85 85 ASP CA C 85 52.852 52.852 54.231 -1.379 18734 8388 1 19 . 1 1 85 85 ASP CB C 85 42.482 42.482 42.374 0.108 18734 8389 1 19 . 1 1 85 85 ASP H H 85 7.200 7.200 7.675 -0.475 18734 8390 1 19 . 1 1 86 86 TYR N N 86 123.389 123.389 123.337 0.052 18734 8391 1 19 . 1 1 86 86 TYR HA H 86 4.092 4.092 4.458 -0.366 18734 8392 1 19 . 1 1 86 86 TYR CA C 86 58.674 58.674 61.441 -2.767 18734 8393 1 19 . 1 1 86 86 TYR CB C 86 35.801 35.801 39.233 -3.432 18734 8394 1 19 . 1 1 86 86 TYR H H 86 8.440 8.440 8.975 -0.535 18734 8395 1 19 . 1 1 87 87 PHE N N 87 117.092 117.092 118.134 -1.042 18734 8396 1 19 . 1 1 87 87 PHE HA H 87 4.378 4.378 4.619 -0.241 18734 8397 1 19 . 1 1 87 87 PHE CA C 87 57.433 57.433 59.564 -2.131 18734 8398 1 19 . 1 1 87 87 PHE CB C 87 37.442 37.442 40.404 -2.962 18734 8399 1 19 . 1 1 87 87 PHE H H 87 7.931 7.931 8.608 -0.677 18734 8400 1 19 . 1 1 88 88 TRP N N 88 121.396 121.396 119.775 1.621 18734 8401 1 19 . 1 1 88 88 TRP HA H 88 3.798 3.798 4.532 -0.734 18734 8402 1 19 . 1 1 88 88 TRP CA C 88 59.544 59.544 61.616 -2.072 18734 8403 1 19 . 1 1 88 88 TRP CB C 88 26.293 26.293 29.197 -2.904 18734 8404 1 19 . 1 1 88 88 TRP H H 88 9.757 9.757 9.697 0.060 18734 8405 1 19 . 1 1 89 89 GLN N N 89 117.760 117.760 119.306 -1.546 18734 8406 1 19 . 1 1 89 89 GLN HA H 89 4.393 4.393 4.006 0.387 18734 8407 1 19 . 1 1 89 89 GLN CA C 89 55.882 55.882 59.243 -3.361 18734 8408 1 19 . 1 1 89 89 GLN CB C 89 30.198 30.198 28.061 2.137 18734 8409 1 19 . 1 1 89 89 GLN H H 89 8.490 8.490 8.330 0.160 18734 8410 1 19 . 1 1 90 90 THR N N 90 118.285 118.285 115.223 3.062 18734 8411 1 19 . 1 1 90 90 THR HA H 90 3.686 3.686 3.969 -0.283 18734 8412 1 19 . 1 1 90 90 THR CA C 90 62.770 62.770 65.492 -2.722 18734 8413 1 19 . 1 1 90 90 THR CB C 90 66.664 66.664 68.605 -1.941 18734 8414 1 19 . 1 1 90 90 THR H H 90 7.932 7.932 7.906 0.026 18734 8415 1 19 . 1 1 91 91 TYR N N 91 118.448 118.448 118.757 -0.309 18734 8416 1 19 . 1 1 91 91 TYR HA H 91 4.975 4.975 4.726 0.249 18734 8417 1 19 . 1 1 91 91 TYR CA C 91 55.511 55.511 57.734 -2.224 18734 8418 1 19 . 1 1 91 91 TYR CB C 91 37.126 37.126 37.468 -0.342 18734 8419 1 19 . 1 1 91 91 TYR H H 91 8.009 8.009 7.589 0.420 18734 8420 1 19 . 1 1 92 92 ALA N N 92 122.351 122.351 122.192 0.159 18734 8421 1 19 . 1 1 92 92 ALA HA H 92 3.843 3.843 4.560 -0.717 18734 8422 1 19 . 1 1 92 92 ALA CA C 92 54.108 54.108 53.850 0.258 18734 8423 1 19 . 1 1 92 92 ALA CB C 92 16.505 16.505 17.888 -1.383 18734 8424 1 19 . 1 1 92 92 ALA H H 92 7.665 7.665 7.720 -0.055 18734 8425 1 19 . 1 1 93 93 ALA N N 93 117.548 117.548 120.190 -2.642 18734 8426 1 19 . 1 1 93 93 ALA HA H 93 3.702 3.702 4.105 -0.403 18734 8427 1 19 . 1 1 93 93 ALA CA C 93 51.371 51.371 53.219 -1.848 18734 8428 1 19 . 1 1 93 93 ALA CB C 93 14.292 14.292 18.649 -4.357 18734 8429 1 19 . 1 1 93 93 ALA H H 93 8.275 8.275 8.340 -0.065 18734 8430 1 19 . 1 1 94 94 TRP N N 94 115.303 115.303 116.126 -0.823 18734 8431 1 19 . 1 1 94 94 TRP HA H 94 4.669 4.669 4.841 -0.172 18734 8432 1 19 . 1 1 94 94 TRP CB C 94 26.912 26.912 30.885 -3.973 18734 8433 1 19 . 1 1 94 94 TRP H H 94 8.203 8.203 8.210 -0.007 18734 8434 1 19 . 1 1 95 95 ILE N N 95 120.680 120.680 121.183 -0.503 18734 8435 1 19 . 1 1 95 95 ILE HA H 95 5.325 5.325 4.237 1.088 18734 8436 1 19 . 1 1 95 95 ILE CA C 95 57.930 57.930 60.460 -2.530 18734 8437 1 19 . 1 1 95 95 ILE CB C 95 36.508 36.508 36.033 0.475 18734 8438 1 19 . 1 1 95 95 ILE H H 95 7.153 7.153 8.025 -0.872 18734 8439 1 19 . 1 1 96 96 GLN N N 96 128.223 128.223 126.662 1.561 18734 8440 1 19 . 1 1 96 96 GLN HA H 96 4.691 4.691 4.887 -0.196 18734 8441 1 19 . 1 1 96 96 GLN CB C 96 28.885 28.885 28.991 -0.106 18734 8442 1 19 . 1 1 96 96 GLN H H 96 9.189 9.189 8.463 0.726 18734 8443 1 19 . 1 1 97 97 PRO HA H 97 4.833 4.833 4.855 -0.022 18734 8444 1 19 . 1 1 97 97 PRO CA C 97 59.122 59.122 62.646 -3.524 18734 8445 1 19 . 1 1 97 97 PRO CB C 97 29.515 29.515 32.712 -3.196 18734 8446 1 19 . 1 1 98 98 MET N N 98 120.815 120.815 120.365 0.450 18734 8447 1 19 . 1 1 98 98 MET HA H 98 4.116 4.116 4.366 -0.250 18734 8448 1 19 . 1 1 98 98 MET CA C 98 52.944 52.944 55.814 -2.870 18734 8449 1 19 . 1 1 98 98 MET CB C 98 30.981 30.981 32.995 -2.014 18734 8450 1 19 . 1 1 98 98 MET H H 98 8.551 8.551 8.387 0.164 18734 8451 1 19 . 1 1 99 99 GLU N N 99 124.677 124.677 119.773 4.904 18734 8452 1 19 . 1 1 99 99 GLU HA H 99 4.220 4.220 4.506 -0.286 18734 8453 1 19 . 1 1 99 99 GLU CA C 99 53.952 53.952 55.744 -1.792 18734 8454 1 19 . 1 1 99 99 GLU CB C 99 27.803 27.803 30.951 -3.148 18734 8455 1 19 . 1 1 99 99 GLU H H 99 8.532 8.532 8.391 0.141 18734 8456 1 20 . 1 1 2 2 SER HA H 2 4.373 4.373 5.028 -0.655 18734 8457 1 20 . 1 1 2 2 SER CA C 2 55.756 55.756 57.383 -1.627 18734 8458 1 20 . 1 1 2 2 SER CB C 2 61.143 61.143 65.594 -4.451 18734 8459 1 20 . 1 1 3 3 HIS HA H 3 4.613 4.613 4.845 -0.232 18734 8460 1 20 . 1 1 3 3 HIS CA C 3 52.991 52.991 56.386 -3.395 18734 8461 1 20 . 1 1 3 3 HIS CB C 3 26.607 26.607 30.225 -3.618 18734 8462 1 20 . 1 1 4 4 GLU N N 4 122.124 122.124 120.110 2.014 18734 8463 1 20 . 1 1 4 4 GLU HA H 4 4.171 4.171 4.490 -0.319 18734 8464 1 20 . 1 1 4 4 GLU CA C 4 54.441 54.441 55.914 -1.473 18734 8465 1 20 . 1 1 4 4 GLU CB C 4 27.585 27.585 31.922 -4.337 18734 8466 1 20 . 1 1 4 4 GLU H H 4 8.415 8.415 8.231 0.184 18734 8467 1 20 . 1 1 5 5 GLY N N 5 110.434 110.434 110.789 -0.355 18734 8468 1 20 . 1 1 5 5 GLY CA C 5 42.610 42.610 45.224 -2.614 18734 8469 1 20 . 1 1 5 5 GLY H H 5 8.488 8.488 8.561 -0.073 18734 8470 1 20 . 1 1 6 6 GLU N N 6 121.376 121.376 122.433 -1.057 18734 8471 1 20 . 1 1 6 6 GLU HA H 6 4.560 4.560 4.564 -0.004 18734 8472 1 20 . 1 1 6 6 GLU CA C 6 51.629 51.629 53.061 -1.432 18734 8473 1 20 . 1 1 6 6 GLU CB C 6 26.998 26.998 30.028 -3.030 18734 8474 1 20 . 1 1 6 6 GLU H H 6 7.954 7.954 8.646 -0.692 18734 8475 1 20 . 1 1 7 7 PRO HA H 7 4.464 4.464 4.104 0.360 18734 8476 1 20 . 1 1 7 7 PRO CA C 7 60.517 60.517 62.730 -2.213 18734 8477 1 20 . 1 1 7 7 PRO CB C 7 29.486 29.486 30.568 -1.082 18734 8478 1 20 . 1 1 8 8 VAL N N 8 120.493 120.493 118.842 1.651 18734 8479 1 20 . 1 1 8 8 VAL HA H 8 4.387 4.387 4.302 0.085 18734 8480 1 20 . 1 1 8 8 VAL CA C 8 58.483 58.483 59.688 -1.205 18734 8481 1 20 . 1 1 8 8 VAL CB C 8 31.177 31.177 36.058 -4.881 18734 8482 1 20 . 1 1 8 8 VAL H H 8 8.177 8.177 7.726 0.451 18734 8483 1 20 . 1 1 9 9 VAL N N 9 124.516 124.516 122.751 1.765 18734 8484 1 20 . 1 1 9 9 VAL HA H 9 4.024 4.024 4.558 -0.534 18734 8485 1 20 . 1 1 9 9 VAL CA C 9 60.336 60.336 62.311 -1.975 18734 8486 1 20 . 1 1 9 9 VAL CB C 9 29.995 29.995 30.640 -0.645 18734 8487 1 20 . 1 1 9 9 VAL H H 9 8.246 8.246 8.902 -0.656 18734 8488 1 20 . 1 1 10 10 GLY N N 10 114.968 114.968 112.463 2.505 18734 8489 1 20 . 1 1 10 10 GLY CA C 10 42.318 42.318 44.237 -1.919 18734 8490 1 20 . 1 1 10 10 GLY H H 10 8.595 8.595 7.914 0.681 18734 8491 1 20 . 1 1 11 11 MET N N 11 120.532 120.532 120.914 -0.382 18734 8492 1 20 . 1 1 11 11 MET CA C 11 53.802 53.802 57.460 -3.658 18734 8493 1 20 . 1 1 11 11 MET CB C 11 30.698 30.698 30.753 -0.055 18734 8494 1 20 . 1 1 11 11 MET H H 11 8.320 8.320 8.373 -0.053 18734 8495 1 20 . 1 1 12 12 ASP N N 12 120.515 120.515 123.339 -2.824 18734 8496 1 20 . 1 1 12 12 ASP HA H 12 4.637 4.637 4.625 0.012 18734 8497 1 20 . 1 1 12 12 ASP CB C 12 38.090 38.090 40.570 -2.480 18734 8498 1 20 . 1 1 12 12 ASP H H 12 8.261 8.261 8.282 -0.021 18734 8499 1 20 . 1 1 13 13 LYS N N 13 123.685 123.685 127.376 -3.691 18734 8500 1 20 . 1 1 13 13 LYS HA H 13 4.623 4.623 4.796 -0.173 18734 8501 1 20 . 1 1 13 13 LYS CA C 13 50.898 50.898 55.885 -4.987 18734 8502 1 20 . 1 1 13 13 LYS CB C 13 30.003 30.003 30.667 -0.664 18734 8503 1 20 . 1 1 13 13 LYS H H 13 8.579 8.579 8.377 0.202 18734 8504 1 20 . 1 1 14 14 SER N N 14 115.048 115.048 115.511 -0.463 18734 8505 1 20 . 1 1 14 14 SER HA H 14 4.447 4.447 4.842 -0.395 18734 8506 1 20 . 1 1 14 14 SER CA C 14 56.917 56.917 59.030 -2.113 18734 8507 1 20 . 1 1 14 14 SER CB C 14 61.536 61.536 65.355 -3.819 18734 8508 1 20 . 1 1 14 14 SER H H 14 8.507 8.507 8.407 0.100 18734 8509 1 20 . 1 1 15 15 LEU N N 15 119.294 119.294 118.480 0.814 18734 8510 1 20 . 1 1 15 15 LEU HA H 15 3.989 3.989 4.895 -0.906 18734 8511 1 20 . 1 1 15 15 LEU CA C 15 53.219 53.219 54.784 -1.565 18734 8512 1 20 . 1 1 15 15 LEU CB C 15 39.813 39.813 41.818 -2.005 18734 8513 1 20 . 1 1 15 15 LEU H H 15 6.908 6.908 7.991 -1.083 18734 8514 1 20 . 1 1 16 16 PHE N N 16 117.103 117.103 120.988 -3.885 18734 8515 1 20 . 1 1 16 16 PHE HA H 16 4.397 4.397 4.370 0.027 18734 8516 1 20 . 1 1 16 16 PHE CA C 16 56.719 56.719 60.625 -3.906 18734 8517 1 20 . 1 1 16 16 PHE CB C 16 37.917 37.917 38.265 -0.348 18734 8518 1 20 . 1 1 16 16 PHE H H 16 7.658 7.658 8.329 -0.671 18734 8519 1 20 . 1 1 17 17 ALA N N 17 120.694 120.694 119.663 1.031 18734 8520 1 20 . 1 1 17 17 ALA HA H 17 3.964 3.964 4.470 -0.506 18734 8521 1 20 . 1 1 17 17 ALA CA C 17 51.840 51.840 52.142 -0.302 18734 8522 1 20 . 1 1 17 17 ALA CB C 17 15.004 15.004 16.824 -1.820 18734 8523 1 20 . 1 1 17 17 ALA H H 17 7.514 7.514 8.289 -0.775 18734 8524 1 20 . 1 1 18 18 GLY N N 18 110.007 110.007 107.541 2.466 18734 8525 1 20 . 1 1 18 18 GLY CA C 18 43.150 43.150 45.083 -1.933 18734 8526 1 20 . 1 1 18 18 GLY H H 18 8.204 8.204 8.199 0.005 18734 8527 1 20 . 1 1 19 19 ASN N N 19 119.323 119.323 121.415 -2.092 18734 8528 1 20 . 1 1 19 19 ASN HA H 19 4.733 4.733 4.841 -0.108 18734 8529 1 20 . 1 1 19 19 ASN CB C 19 36.020 36.020 38.859 -2.839 18734 8530 1 20 . 1 1 19 19 ASN H H 19 8.124 8.124 7.709 0.415 18734 8531 1 20 . 1 1 20 20 THR N N 20 116.844 116.844 115.341 1.503 18734 8532 1 20 . 1 1 20 20 THR HA H 20 4.243 4.243 4.272 -0.029 18734 8533 1 20 . 1 1 20 20 THR CA C 20 60.224 60.224 63.709 -3.485 18734 8534 1 20 . 1 1 20 20 THR CB C 20 66.167 66.167 69.027 -2.860 18734 8535 1 20 . 1 1 20 20 THR H H 20 8.400 8.400 8.101 0.299 18734 8536 1 20 . 1 1 21 21 VAL N N 21 117.661 117.661 120.492 -2.831 18734 8537 1 20 . 1 1 21 21 VAL HA H 21 4.161 4.161 4.229 -0.068 18734 8538 1 20 . 1 1 21 21 VAL CA C 21 59.739 59.739 61.675 -1.936 18734 8539 1 20 . 1 1 21 21 VAL CB C 21 31.224 31.224 32.905 -1.681 18734 8540 1 20 . 1 1 21 21 VAL H H 21 8.412 8.412 7.458 0.954 18734 8541 1 20 . 1 1 22 22 ILE N N 22 120.465 120.465 122.475 -2.010 18734 8542 1 20 . 1 1 22 22 ILE HA H 22 3.873 3.873 4.475 -0.602 18734 8543 1 20 . 1 1 22 22 ILE CA C 22 59.860 59.860 59.554 0.306 18734 8544 1 20 . 1 1 22 22 ILE CB C 22 37.052 37.052 39.404 -2.352 18734 8545 1 20 . 1 1 22 22 ILE H H 22 7.300 7.300 7.641 -0.341 18734 8546 1 20 . 1 1 23 23 ARG N N 23 122.168 122.168 125.890 -3.722 18734 8547 1 20 . 1 1 23 23 ARG HA H 23 4.940 4.940 4.286 0.654 18734 8548 1 20 . 1 1 23 23 ARG CA C 23 54.175 54.175 57.187 -3.012 18734 8549 1 20 . 1 1 23 23 ARG CB C 23 30.921 30.921 31.030 -0.109 18734 8550 1 20 . 1 1 23 23 ARG H H 23 8.328 8.328 8.686 -0.358 18734 8551 1 20 . 1 1 24 24 GLU N N 24 117.968 117.968 115.871 2.097 18734 8552 1 20 . 1 1 24 24 GLU HA H 24 5.100 5.100 5.009 0.091 18734 8553 1 20 . 1 1 24 24 GLU CA C 24 51.948 51.948 54.919 -2.971 18734 8554 1 20 . 1 1 24 24 GLU CB C 24 30.737 30.737 33.385 -2.648 18734 8555 1 20 . 1 1 24 24 GLU H H 24 7.474 7.474 7.842 -0.368 18734 8556 1 20 . 1 1 25 25 ILE N N 25 121.135 121.135 124.695 -3.560 18734 8557 1 20 . 1 1 25 25 ILE HA H 25 4.205 4.205 4.487 -0.282 18734 8558 1 20 . 1 1 25 25 ILE CA C 25 57.149 57.149 60.445 -3.296 18734 8559 1 20 . 1 1 25 25 ILE CB C 25 39.882 39.882 41.444 -1.562 18734 8560 1 20 . 1 1 25 25 ILE H H 25 7.591 7.591 8.277 -0.686 18734 8561 1 20 . 1 1 26 26 THR N N 26 122.935 122.935 125.159 -2.224 18734 8562 1 20 . 1 1 26 26 THR HA H 26 4.999 4.999 4.743 0.256 18734 8563 1 20 . 1 1 26 26 THR CA C 26 59.185 59.185 62.218 -3.033 18734 8564 1 20 . 1 1 26 26 THR CB C 26 67.259 67.259 69.246 -1.987 18734 8565 1 20 . 1 1 26 26 THR H H 26 8.243 8.243 8.717 -0.474 18734 8566 1 20 . 1 1 27 27 VAL N N 27 124.220 124.220 129.616 -5.396 18734 8567 1 20 . 1 1 27 27 VAL HA H 27 4.421 4.421 4.467 -0.046 18734 8568 1 20 . 1 1 27 27 VAL CA C 27 58.144 58.144 60.387 -2.243 18734 8569 1 20 . 1 1 27 27 VAL CB C 27 30.727 30.727 31.358 -0.631 18734 8570 1 20 . 1 1 27 27 VAL H H 27 9.216 9.216 9.368 -0.152 18734 8571 1 20 . 1 1 28 28 GLN N N 28 129.280 129.280 128.834 0.446 18734 8572 1 20 . 1 1 28 28 GLN HA H 28 4.702 4.702 4.714 -0.012 18734 8573 1 20 . 1 1 28 28 GLN CB C 28 25.480 25.480 27.785 -2.304 18734 8574 1 20 . 1 1 28 28 GLN H H 28 8.782 8.782 8.520 0.262 18734 8575 1 20 . 1 1 29 29 PRO HA H 29 3.457 3.457 3.054 0.403 18734 8576 1 20 . 1 1 29 29 PRO CA C 29 60.712 60.712 61.978 -1.266 18734 8577 1 20 . 1 1 29 29 PRO CB C 29 30.122 30.122 32.382 -2.260 18734 8578 1 20 . 1 1 30 30 ASN N N 30 113.396 113.396 113.900 -0.504 18734 8579 1 20 . 1 1 30 30 ASN HA H 30 4.329 4.329 4.163 0.166 18734 8580 1 20 . 1 1 30 30 ASN CA C 30 51.999 51.999 54.350 -2.351 18734 8581 1 20 . 1 1 30 30 ASN CB C 30 34.627 34.627 36.984 -2.357 18734 8582 1 20 . 1 1 30 30 ASN H H 30 8.199 8.199 8.425 -0.226 18734 8583 1 20 . 1 1 31 31 ILE N N 31 115.907 115.907 116.841 -0.934 18734 8584 1 20 . 1 1 31 31 ILE HA H 31 4.395 4.395 4.435 -0.040 18734 8585 1 20 . 1 1 31 31 ILE CA C 31 57.434 57.434 60.157 -2.723 18734 8586 1 20 . 1 1 31 31 ILE CB C 31 36.859 36.859 39.013 -2.154 18734 8587 1 20 . 1 1 31 31 ILE H H 31 8.201 8.201 7.971 0.230 18734 8588 1 20 . 1 1 32 32 GLY N N 32 111.217 111.217 106.274 4.943 18734 8589 1 20 . 1 1 32 32 GLY CA C 32 41.729 41.729 44.040 -2.311 18734 8590 1 20 . 1 1 32 32 GLY H H 32 7.998 7.998 7.575 0.423 18734 8591 1 20 . 1 1 33 33 LEU N N 33 120.007 120.007 121.490 -1.483 18734 8592 1 20 . 1 1 33 33 LEU HA H 33 3.880 3.880 4.462 -0.582 18734 8593 1 20 . 1 1 33 33 LEU CA C 33 53.595 53.595 54.957 -1.362 18734 8594 1 20 . 1 1 33 33 LEU CB C 33 40.528 40.528 42.465 -1.937 18734 8595 1 20 . 1 1 33 33 LEU H H 33 7.820 7.820 8.343 -0.523 18734 8596 1 20 . 1 1 34 34 LEU N N 34 128.106 128.106 129.421 -1.315 18734 8597 1 20 . 1 1 34 34 LEU HA H 34 4.485 4.485 4.109 0.376 18734 8598 1 20 . 1 1 34 34 LEU CA C 34 51.078 51.078 54.383 -3.305 18734 8599 1 20 . 1 1 34 34 LEU CB C 34 37.447 37.447 39.786 -2.339 18734 8600 1 20 . 1 1 34 34 LEU H H 34 8.551 8.551 8.737 -0.186 18734 8601 1 20 . 1 1 35 35 TYR N N 35 121.473 121.473 122.954 -1.481 18734 8602 1 20 . 1 1 35 35 TYR HA H 35 4.240 4.240 4.422 -0.182 18734 8603 1 20 . 1 1 35 35 TYR CA C 35 53.814 53.814 55.662 -1.848 18734 8604 1 20 . 1 1 35 35 TYR CB C 35 36.868 36.868 38.974 -2.106 18734 8605 1 20 . 1 1 35 35 TYR H H 35 6.363 6.363 7.706 -1.343 18734 8606 1 20 . 1 1 36 36 ASP N N 36 119.590 119.590 119.413 0.177 18734 8607 1 20 . 1 1 36 36 ASP HA H 36 3.980 3.980 4.311 -0.331 18734 8608 1 20 . 1 1 36 36 ASP CA C 36 52.760 52.760 55.191 -2.430 18734 8609 1 20 . 1 1 36 36 ASP CB C 36 37.119 37.119 40.904 -3.785 18734 8610 1 20 . 1 1 36 36 ASP H H 36 8.573 8.573 8.447 0.126 18734 8611 1 20 . 1 1 37 37 GLY N N 37 108.636 108.636 116.194 -7.558 18734 8612 1 20 . 1 1 37 37 GLY CA C 37 44.335 44.335 45.862 -1.527 18734 8613 1 20 . 1 1 37 37 GLY H H 37 7.903 7.903 8.594 -0.691 18734 8614 1 20 . 1 1 38 38 MET N N 38 120.339 120.339 118.621 1.718 18734 8615 1 20 . 1 1 38 38 MET HA H 38 3.631 3.631 2.985 0.646 18734 8616 1 20 . 1 1 38 38 MET CA C 38 56.101 56.101 58.031 -1.930 18734 8617 1 20 . 1 1 38 38 MET CB C 38 29.166 29.166 31.413 -2.247 18734 8618 1 20 . 1 1 38 38 MET H H 38 7.873 7.873 7.222 0.651 18734 8619 1 20 . 1 1 39 39 PHE N N 39 115.430 115.430 111.710 3.720 18734 8620 1 20 . 1 1 39 39 PHE HA H 39 4.908 4.908 4.798 0.110 18734 8621 1 20 . 1 1 39 39 PHE CA C 39 52.898 52.898 56.111 -3.213 18734 8622 1 20 . 1 1 39 39 PHE CB C 39 36.647 36.647 38.445 -1.798 18734 8623 1 20 . 1 1 39 39 PHE H H 39 8.504 8.504 7.499 1.005 18734 8624 1 20 . 1 1 40 40 SER N N 40 113.647 113.647 117.400 -3.753 18734 8625 1 20 . 1 1 40 40 SER HA H 40 4.238 4.238 4.119 0.119 18734 8626 1 20 . 1 1 40 40 SER CA C 40 56.954 56.954 60.165 -3.211 18734 8627 1 20 . 1 1 40 40 SER CB C 40 60.458 60.458 62.987 -2.529 18734 8628 1 20 . 1 1 40 40 SER H H 40 7.264 7.264 7.988 -0.724 18734 8629 1 20 . 1 1 41 41 GLY N N 41 115.225 115.225 114.745 0.480 18734 8630 1 20 . 1 1 41 41 GLY CA C 41 42.941 42.941 45.573 -2.632 18734 8631 1 20 . 1 1 41 41 GLY H H 41 9.110 9.110 8.793 0.317 18734 8632 1 20 . 1 1 42 42 CYS N N 42 120.385 120.385 121.253 -0.868 18734 8633 1 20 . 1 1 42 42 CYS HA H 42 4.761 4.761 4.449 0.312 18734 8634 1 20 . 1 1 42 42 CYS CB C 42 23.867 23.867 25.749 -1.882 18734 8635 1 20 . 1 1 42 42 CYS H H 42 7.929 7.929 8.247 -0.318 18734 8636 1 20 . 1 1 43 43 THR N N 43 113.920 113.920 116.183 -2.263 18734 8637 1 20 . 1 1 43 43 THR HA H 43 3.863 3.863 4.182 -0.319 18734 8638 1 20 . 1 1 43 43 THR CA C 43 61.663 61.663 63.081 -1.418 18734 8639 1 20 . 1 1 43 43 THR CB C 43 66.027 66.027 68.904 -2.877 18734 8640 1 20 . 1 1 43 43 THR H H 43 7.495 7.495 7.972 -0.477 18734 8641 1 20 . 1 1 44 44 ALA N N 44 123.479 123.479 123.789 -0.310 18734 8642 1 20 . 1 1 44 44 ALA HA H 44 4.477 4.477 4.629 -0.152 18734 8643 1 20 . 1 1 44 44 ALA CA C 44 48.198 48.198 51.335 -3.137 18734 8644 1 20 . 1 1 44 44 ALA CB C 44 17.096 17.096 19.809 -2.713 18734 8645 1 20 . 1 1 44 44 ALA H H 44 8.551 8.551 7.744 0.807 18734 8646 1 20 . 1 1 45 45 LEU N N 45 121.070 121.070 121.549 -0.479 18734 8647 1 20 . 1 1 45 45 LEU HA H 45 3.981 3.981 4.976 -0.995 18734 8648 1 20 . 1 1 45 45 LEU CA C 45 53.838 53.838 54.791 -0.953 18734 8649 1 20 . 1 1 45 45 LEU CB C 45 40.243 40.243 44.981 -4.739 18734 8650 1 20 . 1 1 45 45 LEU H H 45 6.819 6.819 7.744 -0.925 18734 8651 1 20 . 1 1 46 46 GLU N N 46 128.627 128.627 123.294 5.333 18734 8652 1 20 . 1 1 46 46 GLU HA H 46 4.511 4.511 4.670 -0.159 18734 8653 1 20 . 1 1 46 46 GLU CA C 46 54.357 54.357 56.369 -2.012 18734 8654 1 20 . 1 1 46 46 GLU CB C 46 29.883 29.883 33.133 -3.250 18734 8655 1 20 . 1 1 46 46 GLU H H 46 9.401 9.401 8.335 1.066 18734 8656 1 20 . 1 1 47 47 LYS N N 47 116.297 116.297 120.770 -4.473 18734 8657 1 20 . 1 1 47 47 LYS HA H 47 5.128 5.128 4.691 0.437 18734 8658 1 20 . 1 1 47 47 LYS CA C 47 52.808 52.808 55.701 -2.893 18734 8659 1 20 . 1 1 47 47 LYS CB C 47 35.325 35.325 35.353 -0.028 18734 8660 1 20 . 1 1 47 47 LYS H H 47 7.171 7.171 8.348 -1.177 18734 8661 1 20 . 1 1 48 48 LEU N N 48 125.474 125.474 123.335 2.139 18734 8662 1 20 . 1 1 48 48 LEU HA H 48 4.403 4.403 5.016 -0.613 18734 8663 1 20 . 1 1 48 48 LEU CA C 48 50.489 50.489 53.597 -3.108 18734 8664 1 20 . 1 1 48 48 LEU CB C 48 41.991 41.991 46.591 -4.600 18734 8665 1 20 . 1 1 48 48 LEU H H 48 8.715 8.715 8.134 0.581 18734 8666 1 20 . 1 1 49 49 ILE N N 49 127.246 127.246 122.356 4.890 18734 8667 1 20 . 1 1 49 49 ILE HA H 49 4.145 4.145 4.385 -0.240 18734 8668 1 20 . 1 1 49 49 ILE CA C 49 58.314 58.314 60.347 -2.033 18734 8669 1 20 . 1 1 49 49 ILE CB C 49 36.125 36.125 41.508 -5.383 18734 8670 1 20 . 1 1 49 49 ILE H H 49 9.131 9.131 8.988 0.143 18734 8671 1 20 . 1 1 50 50 LEU N N 50 128.685 128.685 123.716 4.969 18734 8672 1 20 . 1 1 50 50 LEU HA H 50 4.417 4.417 5.533 -1.116 18734 8673 1 20 . 1 1 50 50 LEU CA C 50 50.414 50.414 53.743 -3.329 18734 8674 1 20 . 1 1 50 50 LEU CB C 50 36.390 36.390 44.624 -8.234 18734 8675 1 20 . 1 1 50 50 LEU H H 50 8.553 8.553 8.287 0.266 18734 8676 1 20 . 1 1 51 51 THR N N 51 109.751 109.751 110.768 -1.017 18734 8677 1 20 . 1 1 51 51 THR HA H 51 3.935 3.935 4.660 -0.725 18734 8678 1 20 . 1 1 51 51 THR CA C 51 60.194 60.194 61.114 -0.920 18734 8679 1 20 . 1 1 51 51 THR CB C 51 66.107 66.107 70.077 -3.970 18734 8680 1 20 . 1 1 51 51 THR H H 51 6.964 6.964 8.508 -1.544 18734 8681 1 20 . 1 1 52 52 GLY N N 52 108.656 108.656 111.465 -2.809 18734 8682 1 20 . 1 1 52 52 GLY CA C 52 42.432 42.432 44.574 -2.142 18734 8683 1 20 . 1 1 52 52 GLY H H 52 8.409 8.409 7.754 0.655 18734 8684 1 20 . 1 1 53 53 GLU N N 53 119.733 119.733 118.033 1.700 18734 8685 1 20 . 1 1 53 53 GLU HA H 53 4.061 4.061 4.531 -0.470 18734 8686 1 20 . 1 1 53 53 GLU CA C 53 54.296 54.296 56.096 -1.800 18734 8687 1 20 . 1 1 53 53 GLU CB C 53 27.425 27.425 30.988 -3.563 18734 8688 1 20 . 1 1 53 53 GLU H H 53 8.741 8.741 8.695 0.046 18734 8689 1 20 . 1 1 54 54 ASP N N 54 118.231 118.231 117.568 0.663 18734 8690 1 20 . 1 1 54 54 ASP HA H 54 5.035 5.035 4.992 0.043 18734 8691 1 20 . 1 1 54 54 ASP CA C 54 46.882 46.882 51.459 -4.577 18734 8692 1 20 . 1 1 54 54 ASP CB C 54 39.822 39.822 43.594 -3.772 18734 8693 1 20 . 1 1 54 54 ASP H H 54 8.309 8.309 8.100 0.209 18734 8694 1 20 . 1 1 55 55 PRO HA H 55 3.920 3.920 3.611 0.309 18734 8695 1 20 . 1 1 55 55 PRO CA C 55 61.140 61.140 63.875 -2.735 18734 8696 1 20 . 1 1 55 55 PRO CB C 55 30.606 30.606 31.641 -1.035 18734 8697 1 20 . 1 1 56 56 SER N N 56 108.966 108.966 114.960 -5.994 18734 8698 1 20 . 1 1 56 56 SER HA H 56 4.494 4.494 4.372 0.122 18734 8699 1 20 . 1 1 56 56 SER CA C 56 57.752 57.752 60.289 -2.537 18734 8700 1 20 . 1 1 56 56 SER CB C 56 60.574 60.574 62.694 -2.120 18734 8701 1 20 . 1 1 56 56 SER H H 56 7.998 7.998 8.698 -0.700 18734 8702 1 20 . 1 1 57 57 ALA N N 57 123.346 123.346 121.696 1.650 18734 8703 1 20 . 1 1 57 57 ALA HA H 57 4.197 4.197 4.306 -0.109 18734 8704 1 20 . 1 1 57 57 ALA CA C 57 49.452 49.452 53.124 -3.672 18734 8705 1 20 . 1 1 57 57 ALA CB C 57 17.341 17.341 19.474 -2.132 18734 8706 1 20 . 1 1 57 57 ALA H H 57 7.770 7.770 7.418 0.352 18734 8707 1 20 . 1 1 58 58 TYR N N 58 118.640 118.640 116.701 1.939 18734 8708 1 20 . 1 1 58 58 TYR HA H 58 4.844 4.844 4.781 0.063 18734 8709 1 20 . 1 1 58 58 TYR CA C 58 54.841 54.841 57.604 -2.763 18734 8710 1 20 . 1 1 58 58 TYR CB C 58 39.626 39.626 42.389 -2.763 18734 8711 1 20 . 1 1 58 58 TYR H H 58 7.878 7.878 7.683 0.195 18734 8712 1 20 . 1 1 59 59 SER N N 59 118.841 118.841 116.906 1.935 18734 8713 1 20 . 1 1 59 59 SER HA H 59 4.584 4.584 4.966 -0.382 18734 8714 1 20 . 1 1 59 59 SER CA C 59 54.332 54.332 58.225 -3.893 18734 8715 1 20 . 1 1 59 59 SER CB C 59 62.866 62.866 66.208 -3.342 18734 8716 1 20 . 1 1 59 59 SER H H 59 9.289 9.289 9.293 -0.005 18734 8717 1 20 . 1 1 60 60 ALA N N 60 125.034 125.034 127.358 -2.324 18734 8718 1 20 . 1 1 60 60 ALA HA H 60 4.726 4.726 4.900 -0.174 18734 8719 1 20 . 1 1 60 60 ALA CB C 60 20.233 20.233 19.932 0.301 18734 8720 1 20 . 1 1 60 60 ALA H H 60 7.473 7.473 8.944 -1.471 18734 8721 1 20 . 1 1 61 61 GLY N N 61 109.267 109.267 108.623 0.644 18734 8722 1 20 . 1 1 61 61 GLY CA C 61 41.504 41.504 47.073 -5.569 18734 8723 1 20 . 1 1 61 61 GLY H H 61 9.368 9.368 8.397 0.971 18734 8724 1 20 . 1 1 62 62 ASP N N 62 121.898 121.898 124.177 -2.279 18734 8725 1 20 . 1 1 62 62 ASP HA H 62 4.673 4.673 4.856 -0.183 18734 8726 1 20 . 1 1 62 62 ASP CB C 62 38.468 38.468 42.796 -4.328 18734 8727 1 20 . 1 1 62 62 ASP H H 62 9.236 9.236 8.196 1.040 18734 8728 1 20 . 1 1 63 63 GLY N N 63 111.438 111.438 107.946 3.492 18734 8729 1 20 . 1 1 63 63 GLY CA C 63 43.099 43.099 44.370 -1.271 18734 8730 1 20 . 1 1 63 63 GLY H H 63 8.774 8.774 7.631 1.143 18734 8731 1 20 . 1 1 64 64 LEU N N 64 125.900 125.900 121.429 4.471 18734 8732 1 20 . 1 1 64 64 LEU HA H 64 4.169 4.169 3.943 0.226 18734 8733 1 20 . 1 1 64 64 LEU CA C 64 56.103 56.103 57.181 -1.078 18734 8734 1 20 . 1 1 64 64 LEU CB C 64 40.431 40.431 42.130 -1.699 18734 8735 1 20 . 1 1 64 64 LEU H H 64 7.483 7.483 7.182 0.301 18734 8736 1 20 . 1 1 65 65 ARG N N 65 111.696 111.696 117.462 -5.766 18734 8737 1 20 . 1 1 65 65 ARG HA H 65 4.057 4.057 4.610 -0.553 18734 8738 1 20 . 1 1 65 65 ARG CA C 65 51.787 51.787 55.092 -3.305 18734 8739 1 20 . 1 1 65 65 ARG CB C 65 26.474 26.474 29.956 -3.482 18734 8740 1 20 . 1 1 65 65 ARG H H 65 8.071 8.071 7.979 0.092 18734 8741 1 20 . 1 1 66 66 ASP N N 66 120.559 120.559 121.529 -0.970 18734 8742 1 20 . 1 1 66 66 ASP HA H 66 4.121 4.121 4.804 -0.683 18734 8743 1 20 . 1 1 66 66 ASP CA C 66 53.462 53.462 53.408 0.054 18734 8744 1 20 . 1 1 66 66 ASP CB C 66 37.557 37.557 43.572 -6.015 18734 8745 1 20 . 1 1 66 66 ASP H H 66 7.293 7.293 7.724 -0.431 18734 8746 1 20 . 1 1 67 67 GLY N N 67 110.131 110.131 108.599 1.532 18734 8747 1 20 . 1 1 67 67 GLY CA C 67 43.985 43.985 45.990 -2.005 18734 8748 1 20 . 1 1 67 67 GLY H H 67 8.695 8.695 8.531 0.164 18734 8749 1 20 . 1 1 68 68 ALA N N 68 123.462 123.462 121.110 2.352 18734 8750 1 20 . 1 1 68 68 ALA HA H 68 4.385 4.385 4.975 -0.590 18734 8751 1 20 . 1 1 68 68 ALA CA C 68 49.065 49.065 51.676 -2.611 18734 8752 1 20 . 1 1 68 68 ALA CB C 68 19.402 19.402 21.955 -2.553 18734 8753 1 20 . 1 1 68 68 ALA H H 68 8.058 8.058 7.439 0.619 18734 8754 1 20 . 1 1 69 69 ASP N N 69 116.343 116.343 120.596 -4.253 18734 8755 1 20 . 1 1 69 69 ASP HA H 69 4.524 4.524 4.847 -0.323 18734 8756 1 20 . 1 1 69 69 ASP CA C 69 51.240 51.240 53.304 -2.064 18734 8757 1 20 . 1 1 69 69 ASP CB C 69 39.076 39.076 40.961 -1.885 18734 8758 1 20 . 1 1 69 69 ASP H H 69 8.721 8.721 8.764 -0.043 18734 8759 1 20 . 1 1 70 70 PHE N N 70 113.658 113.658 120.379 -6.721 18734 8760 1 20 . 1 1 70 70 PHE HA H 70 4.648 4.648 5.228 -0.580 18734 8761 1 20 . 1 1 70 70 PHE CA C 70 52.114 52.114 55.365 -3.251 18734 8762 1 20 . 1 1 70 70 PHE CB C 70 38.375 38.375 40.871 -2.496 18734 8763 1 20 . 1 1 70 70 PHE H H 70 5.865 5.865 7.369 -1.504 18734 8764 1 20 . 1 1 71 71 LEU N N 71 119.766 119.766 119.382 0.384 18734 8765 1 20 . 1 1 71 71 LEU HA H 71 4.915 4.915 4.941 -0.026 18734 8766 1 20 . 1 1 71 71 LEU CA C 71 50.797 50.797 53.884 -3.087 18734 8767 1 20 . 1 1 71 71 LEU CB C 71 41.482 41.482 47.112 -5.630 18734 8768 1 20 . 1 1 71 71 LEU H H 71 7.964 7.964 8.982 -1.018 18734 8769 1 20 . 1 1 72 72 ILE N N 72 123.675 123.675 121.898 1.777 18734 8770 1 20 . 1 1 72 72 ILE HA H 72 4.728 4.728 4.456 0.272 18734 8771 1 20 . 1 1 72 72 ILE CB C 72 36.921 36.921 39.322 -2.401 18734 8772 1 20 . 1 1 72 72 ILE H H 72 9.073 9.073 9.234 -0.161 18734 8773 1 20 . 1 1 73 73 CYS N N 73 125.409 125.409 128.363 -2.954 18734 8774 1 20 . 1 1 73 73 CYS HA H 73 5.534 5.534 5.207 0.327 18734 8775 1 20 . 1 1 73 73 CYS CA C 73 54.056 54.056 59.974 -5.918 18734 8776 1 20 . 1 1 73 73 CYS CB C 73 27.753 27.753 28.994 -1.241 18734 8777 1 20 . 1 1 73 73 CYS H H 73 9.060 9.060 8.259 0.801 18734 8778 1 20 . 1 1 74 74 VAL N N 74 114.408 114.408 117.331 -2.923 18734 8779 1 20 . 1 1 74 74 VAL HA H 74 4.951 4.951 4.463 0.488 18734 8780 1 20 . 1 1 74 74 VAL CA C 74 54.229 54.229 57.806 -3.577 18734 8781 1 20 . 1 1 74 74 VAL CB C 74 29.675 29.675 33.152 -3.477 18734 8782 1 20 . 1 1 74 74 VAL H H 74 7.938 7.938 8.616 -0.678 18734 8783 1 20 . 1 1 75 75 PRO HA H 75 4.283 4.283 4.628 -0.345 18734 8784 1 20 . 1 1 75 75 PRO CA C 75 60.889 60.889 62.547 -1.658 18734 8785 1 20 . 1 1 75 75 PRO CB C 75 29.499 29.499 32.548 -3.049 18734 8786 1 20 . 1 1 76 76 GLU N N 76 126.159 126.159 122.706 3.453 18734 8787 1 20 . 1 1 76 76 GLU HA H 76 3.664 3.664 3.813 -0.149 18734 8788 1 20 . 1 1 76 76 GLU CA C 76 58.112 58.112 59.622 -1.510 18734 8789 1 20 . 1 1 76 76 GLU CB C 76 26.894 26.894 28.814 -1.919 18734 8790 1 20 . 1 1 76 76 GLU H H 76 9.130 9.130 8.814 0.316 18734 8791 1 20 . 1 1 77 77 GLU N N 77 117.145 117.145 120.236 -3.091 18734 8792 1 20 . 1 1 77 77 GLU HA H 77 4.100 4.100 4.097 0.003 18734 8793 1 20 . 1 1 77 77 GLU CA C 77 55.734 55.734 58.592 -2.858 18734 8794 1 20 . 1 1 77 77 GLU CB C 77 26.315 26.315 29.301 -2.986 18734 8795 1 20 . 1 1 77 77 GLU H H 77 9.350 9.350 8.625 0.725 18734 8796 1 20 . 1 1 78 78 ALA N N 78 120.398 120.398 119.099 1.299 18734 8797 1 20 . 1 1 78 78 ALA HA H 78 4.699 4.699 4.420 0.279 18734 8798 1 20 . 1 1 78 78 ALA CB C 78 18.962 18.962 19.040 -0.077 18734 8799 1 20 . 1 1 78 78 ALA H H 78 8.044 8.044 7.613 0.431 18734 8800 1 20 . 1 1 79 79 LEU N N 79 122.497 122.497 121.409 1.088 18734 8801 1 20 . 1 1 79 79 LEU HA H 79 3.710 3.710 3.884 -0.174 18734 8802 1 20 . 1 1 79 79 LEU CA C 79 56.837 56.837 58.450 -1.613 18734 8803 1 20 . 1 1 79 79 LEU CB C 79 40.952 40.952 41.765 -0.813 18734 8804 1 20 . 1 1 79 79 LEU H H 79 7.331 7.331 7.393 -0.062 18734 8805 1 20 . 1 1 80 80 ASP N N 80 116.432 116.432 117.529 -1.097 18734 8806 1 20 . 1 1 80 80 ASP HA H 80 4.357 4.357 4.432 -0.075 18734 8807 1 20 . 1 1 80 80 ASP CA C 80 54.751 54.751 56.873 -2.122 18734 8808 1 20 . 1 1 80 80 ASP CB C 80 38.534 38.534 40.685 -2.151 18734 8809 1 20 . 1 1 80 80 ASP H H 80 8.305 8.305 8.511 -0.206 18734 8810 1 20 . 1 1 81 81 ARG N N 81 119.433 119.433 119.966 -0.533 18734 8811 1 20 . 1 1 81 81 ARG HA H 81 3.894 3.894 3.985 -0.091 18734 8812 1 20 . 1 1 81 81 ARG CA C 81 56.473 56.473 59.739 -3.266 18734 8813 1 20 . 1 1 81 81 ARG CB C 81 27.481 27.481 30.170 -2.689 18734 8814 1 20 . 1 1 81 81 ARG H H 81 7.638 7.638 8.308 -0.670 18734 8815 1 20 . 1 1 82 82 TYR N N 82 116.397 116.397 117.425 -1.028 18734 8816 1 20 . 1 1 82 82 TYR HA H 82 3.830 3.830 4.187 -0.357 18734 8817 1 20 . 1 1 82 82 TYR CA C 82 61.170 61.170 61.131 0.039 18734 8818 1 20 . 1 1 82 82 TYR CB C 82 37.031 37.031 38.216 -1.185 18734 8819 1 20 . 1 1 82 82 TYR H H 82 8.198 8.198 8.585 -0.387 18734 8820 1 20 . 1 1 83 83 ARG N N 83 113.114 113.114 116.880 -3.766 18734 8821 1 20 . 1 1 83 83 ARG HA H 83 3.728 3.728 4.155 -0.427 18734 8822 1 20 . 1 1 83 83 ARG CA C 83 58.115 58.115 58.712 -0.597 18734 8823 1 20 . 1 1 83 83 ARG CB C 83 28.107 28.107 30.396 -2.289 18734 8824 1 20 . 1 1 83 83 ARG H H 83 8.151 8.151 7.774 0.377 18734 8825 1 20 . 1 1 84 84 ARG N N 84 111.791 111.791 116.781 -4.990 18734 8826 1 20 . 1 1 84 84 ARG HA H 84 4.386 4.386 4.555 -0.169 18734 8827 1 20 . 1 1 84 84 ARG CA C 84 52.335 52.335 55.267 -2.932 18734 8828 1 20 . 1 1 84 84 ARG CB C 84 27.987 27.987 29.758 -1.771 18734 8829 1 20 . 1 1 84 84 ARG H H 84 7.571 7.571 7.709 -0.138 18734 8830 1 20 . 1 1 85 85 ASP N N 85 123.157 123.157 120.091 3.066 18734 8831 1 20 . 1 1 85 85 ASP HA H 85 4.373 4.373 4.693 -0.320 18734 8832 1 20 . 1 1 85 85 ASP CA C 85 52.852 52.852 53.335 -0.483 18734 8833 1 20 . 1 1 85 85 ASP CB C 85 42.482 42.482 42.596 -0.114 18734 8834 1 20 . 1 1 85 85 ASP H H 85 7.200 7.200 7.585 -0.385 18734 8835 1 20 . 1 1 86 86 TYR N N 86 123.389 123.389 122.084 1.305 18734 8836 1 20 . 1 1 86 86 TYR HA H 86 4.092 4.092 4.575 -0.483 18734 8837 1 20 . 1 1 86 86 TYR CA C 86 58.674 58.674 59.891 -1.217 18734 8838 1 20 . 1 1 86 86 TYR CB C 86 35.801 35.801 39.628 -3.827 18734 8839 1 20 . 1 1 86 86 TYR H H 86 8.440 8.440 8.542 -0.102 18734 8840 1 20 . 1 1 87 87 PHE N N 87 117.092 117.092 119.975 -2.883 18734 8841 1 20 . 1 1 87 87 PHE HA H 87 4.378 4.378 4.505 -0.127 18734 8842 1 20 . 1 1 87 87 PHE CA C 87 57.433 57.433 57.301 0.132 18734 8843 1 20 . 1 1 87 87 PHE CB C 87 37.442 37.442 39.742 -2.300 18734 8844 1 20 . 1 1 87 87 PHE H H 87 7.931 7.931 8.722 -0.791 18734 8845 1 20 . 1 1 88 88 TRP N N 88 121.396 121.396 119.593 1.803 18734 8846 1 20 . 1 1 88 88 TRP HA H 88 3.798 3.798 4.278 -0.480 18734 8847 1 20 . 1 1 88 88 TRP CA C 88 59.544 59.544 60.181 -0.637 18734 8848 1 20 . 1 1 88 88 TRP CB C 88 26.293 26.293 29.088 -2.795 18734 8849 1 20 . 1 1 88 88 TRP H H 88 9.757 9.757 8.535 1.222 18734 8850 1 20 . 1 1 89 89 GLN N N 89 117.760 117.760 118.665 -0.905 18734 8851 1 20 . 1 1 89 89 GLN HA H 89 4.393 4.393 3.964 0.429 18734 8852 1 20 . 1 1 89 89 GLN CA C 89 55.882 55.882 58.623 -2.741 18734 8853 1 20 . 1 1 89 89 GLN CB C 89 30.198 30.198 27.295 2.903 18734 8854 1 20 . 1 1 89 89 GLN H H 89 8.490 8.490 8.330 0.160 18734 8855 1 20 . 1 1 90 90 THR N N 90 118.285 118.285 115.949 2.336 18734 8856 1 20 . 1 1 90 90 THR HA H 90 3.686 3.686 4.032 -0.346 18734 8857 1 20 . 1 1 90 90 THR CA C 90 62.770 62.770 65.209 -2.439 18734 8858 1 20 . 1 1 90 90 THR CB C 90 66.664 66.664 68.621 -1.957 18734 8859 1 20 . 1 1 90 90 THR H H 90 7.932 7.932 7.847 0.085 18734 8860 1 20 . 1 1 91 91 TYR N N 91 118.448 118.448 119.642 -1.194 18734 8861 1 20 . 1 1 91 91 TYR HA H 91 4.975 4.975 4.641 0.334 18734 8862 1 20 . 1 1 91 91 TYR CA C 91 55.511 55.511 58.987 -3.476 18734 8863 1 20 . 1 1 91 91 TYR CB C 91 37.126 37.126 37.295 -0.169 18734 8864 1 20 . 1 1 91 91 TYR H H 91 8.009 8.009 7.741 0.268 18734 8865 1 20 . 1 1 92 92 ALA N N 92 122.351 122.351 123.820 -1.469 18734 8866 1 20 . 1 1 92 92 ALA HA H 92 3.843 3.843 4.103 -0.260 18734 8867 1 20 . 1 1 92 92 ALA CA C 92 54.108 54.108 54.694 -0.586 18734 8868 1 20 . 1 1 92 92 ALA CB C 92 16.505 16.505 18.236 -1.731 18734 8869 1 20 . 1 1 92 92 ALA H H 92 7.665 7.665 7.898 -0.233 18734 8870 1 20 . 1 1 93 93 ALA N N 93 117.548 117.548 118.813 -1.265 18734 8871 1 20 . 1 1 93 93 ALA HA H 93 3.702 3.702 3.936 -0.234 18734 8872 1 20 . 1 1 93 93 ALA CA C 93 51.371 51.371 52.889 -1.518 18734 8873 1 20 . 1 1 93 93 ALA CB C 93 14.292 14.292 17.720 -3.428 18734 8874 1 20 . 1 1 93 93 ALA H H 93 8.275 8.275 7.966 0.309 18734 8875 1 20 . 1 1 94 94 TRP N N 94 115.303 115.303 115.555 -0.252 18734 8876 1 20 . 1 1 94 94 TRP HA H 94 4.669 4.669 4.910 -0.241 18734 8877 1 20 . 1 1 94 94 TRP CB C 94 26.912 26.912 30.570 -3.658 18734 8878 1 20 . 1 1 94 94 TRP H H 94 8.203 8.203 7.840 0.363 18734 8879 1 20 . 1 1 95 95 ILE N N 95 120.680 120.680 121.756 -1.076 18734 8880 1 20 . 1 1 95 95 ILE HA H 95 5.325 5.325 4.750 0.575 18734 8881 1 20 . 1 1 95 95 ILE CA C 95 57.930 57.930 60.769 -2.839 18734 8882 1 20 . 1 1 95 95 ILE CB C 95 36.508 36.508 38.123 -1.615 18734 8883 1 20 . 1 1 95 95 ILE H H 95 7.153 7.153 7.692 -0.539 18734 8884 1 20 . 1 1 96 96 GLN N N 96 128.223 128.223 126.609 1.614 18734 8885 1 20 . 1 1 96 96 GLN HA H 96 4.691 4.691 5.020 -0.329 18734 8886 1 20 . 1 1 96 96 GLN CB C 96 28.885 28.885 29.893 -1.008 18734 8887 1 20 . 1 1 96 96 GLN H H 96 9.189 9.189 8.848 0.341 18734 8888 1 20 . 1 1 97 97 PRO HA H 97 4.833 4.833 4.734 0.099 18734 8889 1 20 . 1 1 97 97 PRO CA C 97 59.122 59.122 62.538 -3.416 18734 8890 1 20 . 1 1 97 97 PRO CB C 97 29.515 29.515 32.731 -3.216 18734 8891 1 20 . 1 1 98 98 MET N N 98 120.815 120.815 121.992 -1.177 18734 8892 1 20 . 1 1 98 98 MET HA H 98 4.116 4.116 4.343 -0.227 18734 8893 1 20 . 1 1 98 98 MET CA C 98 52.944 52.944 56.418 -3.474 18734 8894 1 20 . 1 1 98 98 MET CB C 98 30.981 30.981 33.392 -2.411 18734 8895 1 20 . 1 1 98 98 MET H H 98 8.551 8.551 8.343 0.208 18734 8896 1 20 . 1 1 99 99 GLU N N 99 124.677 124.677 121.228 3.449 18734 8897 1 20 . 1 1 99 99 GLU HA H 99 4.220 4.220 4.255 -0.035 18734 8898 1 20 . 1 1 99 99 GLU CA C 99 53.952 53.952 56.551 -2.599 18734 8899 1 20 . 1 1 99 99 GLU CB C 99 27.803 27.803 30.164 -2.361 18734 8900 1 20 . 1 1 99 99 GLU H H 99 8.532 8.532 8.577 -0.045 18734 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 91 2.704 0.142 2.715 18734 2 1 1 "Average Difference" HA 87 0.374 0.141 0.348 18734 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18734 4 1 1 "Average Difference" CA 88 2.721 2.398 1.294 18734 5 1 1 "Average Difference" CB 88 2.871 2.421 1.551 18734 6 1 1 "Average Difference" HN 91 0.596 0.032 0.598 18734 7 1 2 "Average Difference" N 91 2.634 0.296 2.632 18734 8 1 2 "Average Difference" HA 87 0.347 0.130 0.323 18734 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18734 10 1 2 "Average Difference" CA 88 2.576 2.343 1.077 18734 11 1 2 "Average Difference" CB 88 2.627 2.292 1.290 18734 12 1 2 "Average Difference" HN 91 0.593 -0.013 0.596 18734 13 1 3 "Average Difference" N 91 2.660 0.327 2.655 18734 14 1 3 "Average Difference" HA 87 0.362 0.136 0.337 18734 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18734 16 1 3 "Average Difference" CA 88 2.591 2.350 1.097 18734 17 1 3 "Average Difference" CB 88 2.896 2.506 1.459 18734 18 1 3 "Average Difference" HN 91 0.549 0.034 0.551 18734 19 1 4 "Average Difference" N 91 2.886 0.430 2.870 18734 20 1 4 "Average Difference" HA 87 0.338 0.113 0.321 18734 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18734 22 1 4 "Average Difference" CA 88 2.668 2.486 0.972 18734 23 1 4 "Average Difference" CB 88 2.708 2.320 1.405 18734 24 1 4 "Average Difference" HN 91 0.568 0.018 0.571 18734 25 1 5 "Average Difference" N 91 2.832 0.285 2.833 18734 26 1 5 "Average Difference" HA 87 0.331 0.123 0.309 18734 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18734 28 1 5 "Average Difference" CA 88 2.693 2.434 1.158 18734 29 1 5 "Average Difference" CB 88 2.776 2.367 1.459 18734 30 1 5 "Average Difference" HN 91 0.586 0.015 0.589 18734 31 1 6 "Average Difference" N 91 2.572 0.135 2.583 18734 32 1 6 "Average Difference" HA 87 0.332 0.119 0.311 18734 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18734 34 1 6 "Average Difference" CA 88 2.618 2.433 0.972 18734 35 1 6 "Average Difference" CB 88 2.775 2.426 1.355 18734 36 1 6 "Average Difference" HN 91 0.574 0.019 0.577 18734 37 1 7 "Average Difference" N 91 2.921 0.132 2.934 18734 38 1 7 "Average Difference" HA 87 0.315 0.131 0.288 18734 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18734 40 1 7 "Average Difference" CA 88 2.525 2.302 1.044 18734 41 1 7 "Average Difference" CB 88 2.807 2.427 1.418 18734 42 1 7 "Average Difference" HN 91 0.613 0.024 0.616 18734 43 1 8 "Average Difference" N 91 2.728 0.447 2.706 18734 44 1 8 "Average Difference" HA 87 0.334 0.139 0.306 18734 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18734 46 1 8 "Average Difference" CA 88 2.636 2.398 1.100 18734 47 1 8 "Average Difference" CB 88 2.731 2.366 1.371 18734 48 1 8 "Average Difference" HN 91 0.581 0.040 0.583 18734 49 1 9 "Average Difference" N 91 2.853 0.199 2.862 18734 50 1 9 "Average Difference" HA 87 0.364 0.113 0.348 18734 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18734 52 1 9 "Average Difference" CA 88 2.676 2.452 1.077 18734 53 1 9 "Average Difference" CB 88 2.816 2.354 1.556 18734 54 1 9 "Average Difference" HN 91 0.617 0.008 0.620 18734 55 1 10 "Average Difference" N 91 2.571 0.275 2.570 18734 56 1 10 "Average Difference" HA 87 0.365 0.151 0.334 18734 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18734 58 1 10 "Average Difference" CA 88 2.628 2.408 1.058 18734 59 1 10 "Average Difference" CB 88 2.763 2.397 1.382 18734 60 1 10 "Average Difference" HN 91 0.541 0.046 0.542 18734 61 1 11 "Average Difference" N 91 2.702 0.130 2.714 18734 62 1 11 "Average Difference" HA 87 0.364 0.122 0.345 18734 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18734 64 1 11 "Average Difference" CA 88 2.633 2.423 1.035 18734 65 1 11 "Average Difference" CB 88 2.859 2.465 1.458 18734 66 1 11 "Average Difference" HN 91 0.567 0.023 0.570 18734 67 1 12 "Average Difference" N 91 2.479 -0.008 2.493 18734 68 1 12 "Average Difference" HA 87 0.326 0.146 0.293 18734 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18734 70 1 12 "Average Difference" CA 88 2.497 2.250 1.088 18734 71 1 12 "Average Difference" CB 88 2.779 2.371 1.457 18734 72 1 12 "Average Difference" HN 91 0.613 0.024 0.615 18734 73 1 13 "Average Difference" N 91 2.986 0.090 3.001 18734 74 1 13 "Average Difference" HA 87 0.339 0.149 0.306 18734 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18734 76 1 13 "Average Difference" CA 88 2.618 2.386 1.083 18734 77 1 13 "Average Difference" CB 88 2.840 2.409 1.513 18734 78 1 13 "Average Difference" HN 91 0.550 0.028 0.553 18734 79 1 14 "Average Difference" N 91 2.992 0.224 3.000 18734 80 1 14 "Average Difference" HA 87 0.370 0.140 0.345 18734 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18734 82 1 14 "Average Difference" CA 88 2.547 2.283 1.136 18734 83 1 14 "Average Difference" CB 88 2.839 2.399 1.527 18734 84 1 14 "Average Difference" HN 91 0.609 -0.019 0.612 18734 85 1 15 "Average Difference" N 91 2.877 0.036 2.893 18734 86 1 15 "Average Difference" HA 87 0.334 0.160 0.295 18734 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18734 88 1 15 "Average Difference" CA 88 2.536 2.344 0.974 18734 89 1 15 "Average Difference" CB 88 2.809 2.378 1.504 18734 90 1 15 "Average Difference" HN 91 0.602 0.019 0.605 18734 91 1 16 "Average Difference" N 91 2.905 0.282 2.907 18734 92 1 16 "Average Difference" HA 87 0.361 0.141 0.334 18734 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18734 94 1 16 "Average Difference" CA 88 2.737 2.464 1.198 18734 95 1 16 "Average Difference" CB 88 2.833 2.433 1.461 18734 96 1 16 "Average Difference" HN 91 0.575 0.026 0.577 18734 97 1 17 "Average Difference" N 91 2.949 0.243 2.955 18734 98 1 17 "Average Difference" HA 87 0.364 0.140 0.338 18734 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18734 100 1 17 "Average Difference" CA 88 2.568 2.314 1.119 18734 101 1 17 "Average Difference" CB 88 2.824 2.377 1.533 18734 102 1 17 "Average Difference" HN 91 0.604 0.013 0.607 18734 103 1 18 "Average Difference" N 91 2.946 0.164 2.957 18734 104 1 18 "Average Difference" HA 87 0.350 0.119 0.331 18734 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18734 106 1 18 "Average Difference" CA 88 2.691 2.471 1.071 18734 107 1 18 "Average Difference" CB 88 2.638 2.243 1.397 18734 108 1 18 "Average Difference" HN 91 0.633 -0.048 0.634 18734 109 1 19 "Average Difference" N 91 2.849 0.167 2.860 18734 110 1 19 "Average Difference" HA 87 0.368 0.158 0.334 18734 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18734 112 1 19 "Average Difference" CA 88 2.504 2.286 1.030 18734 113 1 19 "Average Difference" CB 88 2.858 2.446 1.488 18734 114 1 19 "Average Difference" HN 91 0.613 0.036 0.615 18734 115 1 20 "Average Difference" N 91 2.810 0.396 2.798 18734 116 1 20 "Average Difference" HA 87 0.387 0.134 0.365 18734 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18734 118 1 20 "Average Difference" CA 88 2.621 2.335 1.196 18734 119 1 20 "Average Difference" CB 88 2.887 2.428 1.571 18734 120 1 20 "Average Difference" HN 91 0.619 0.039 0.621 18734 stop_ save_ save_delta_chem_shifts_average _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average _Entity_delta_chem_shifts.Model_type average _Entity_delta_chem_shifts.Entry_ID 18734 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 SER HA H 2 4.373 4.373 4.660 -0.287 18734 2 1 . 1 1 2 2 SER CA C 2 55.756 55.756 58.063 -2.307 18734 3 1 . 1 1 2 2 SER CB C 2 61.143 61.143 64.412 -3.269 18734 4 1 . 1 1 3 3 HIS HA H 3 4.613 4.613 4.699 -0.086 18734 5 1 . 1 1 3 3 HIS CA C 3 52.991 52.991 56.067 -3.076 18734 6 1 . 1 1 3 3 HIS CB C 3 26.607 26.607 30.101 -3.494 18734 7 1 . 1 1 4 4 GLU N N 4 122.124 122.124 120.738 1.386 18734 8 1 . 1 1 4 4 GLU HA H 4 4.171 4.171 4.450 -0.279 18734 9 1 . 1 1 4 4 GLU CA C 4 54.441 54.441 55.960 -1.519 18734 10 1 . 1 1 4 4 GLU CB C 4 27.585 27.585 31.181 -3.596 18734 11 1 . 1 1 4 4 GLU H H 4 8.415 8.415 8.318 0.097 18734 12 1 . 1 1 5 5 GLY N N 5 110.434 110.434 109.975 0.459 18734 13 1 . 1 1 5 5 GLY CA C 5 42.610 42.610 45.073 -2.463 18734 14 1 . 1 1 5 5 GLY H H 5 8.488 8.488 8.368 0.120 18734 15 1 . 1 1 6 6 GLU N N 6 121.376 121.376 121.552 -0.176 18734 16 1 . 1 1 6 6 GLU HA H 6 4.560 4.560 4.536 0.024 18734 17 1 . 1 1 6 6 GLU CA C 6 51.629 51.629 53.494 -1.865 18734 18 1 . 1 1 6 6 GLU CB C 6 26.998 26.998 30.244 -3.246 18734 19 1 . 1 1 6 6 GLU H H 6 7.954 7.954 8.200 -0.246 18734 20 1 . 1 1 7 7 PRO HA H 7 4.464 4.464 4.296 0.168 18734 21 1 . 1 1 7 7 PRO CA C 7 60.517 60.517 62.536 -2.019 18734 22 1 . 1 1 7 7 PRO CB C 7 29.486 29.486 30.555 -1.069 18734 23 1 . 1 1 8 8 VAL N N 8 120.493 120.493 119.629 0.864 18734 24 1 . 1 1 8 8 VAL HA H 8 4.387 4.387 4.291 0.096 18734 25 1 . 1 1 8 8 VAL CA C 8 58.483 58.483 59.785 -1.302 18734 26 1 . 1 1 8 8 VAL CB C 8 31.177 31.177 35.515 -4.338 18734 27 1 . 1 1 8 8 VAL H H 8 8.177 8.177 7.610 0.567 18734 28 1 . 1 1 9 9 VAL N N 9 124.516 124.516 124.673 -0.157 18734 29 1 . 1 1 9 9 VAL HA H 9 4.024 4.024 4.404 -0.380 18734 30 1 . 1 1 9 9 VAL CA C 9 60.336 60.336 62.343 -2.007 18734 31 1 . 1 1 9 9 VAL CB C 9 29.995 29.995 31.465 -1.470 18734 32 1 . 1 1 9 9 VAL H H 9 8.246 8.246 8.765 -0.519 18734 33 1 . 1 1 10 10 GLY N N 10 114.968 114.968 114.902 0.066 18734 34 1 . 1 1 10 10 GLY CA C 10 42.318 42.318 45.245 -2.927 18734 35 1 . 1 1 10 10 GLY H H 10 8.595 8.595 8.239 0.356 18734 36 1 . 1 1 11 11 MET N N 11 120.532 120.532 119.284 1.249 18734 37 1 . 1 1 11 11 MET CA C 11 53.802 53.802 56.919 -3.117 18734 38 1 . 1 1 11 11 MET CB C 11 30.698 30.698 32.468 -1.770 18734 39 1 . 1 1 11 11 MET H H 11 8.320 8.320 8.327 -0.007 18734 40 1 . 1 1 12 12 ASP N N 12 120.515 120.515 120.475 0.040 18734 41 1 . 1 1 12 12 ASP HA H 12 4.637 4.637 4.779 -0.142 18734 42 1 . 1 1 12 12 ASP CB C 12 38.090 38.090 42.230 -4.140 18734 43 1 . 1 1 12 12 ASP H H 12 8.261 8.261 8.091 0.170 18734 44 1 . 1 1 13 13 LYS N N 13 123.685 123.685 123.656 0.029 18734 45 1 . 1 1 13 13 LYS HA H 13 4.623 4.623 4.727 -0.104 18734 46 1 . 1 1 13 13 LYS CA C 13 50.898 50.898 56.170 -5.272 18734 47 1 . 1 1 13 13 LYS CB C 13 30.003 30.003 31.944 -1.941 18734 48 1 . 1 1 13 13 LYS H H 13 8.579 8.579 8.605 -0.026 18734 49 1 . 1 1 14 14 SER N N 14 115.048 115.048 115.050 -0.002 18734 50 1 . 1 1 14 14 SER HA H 14 4.447 4.447 4.775 -0.328 18734 51 1 . 1 1 14 14 SER CA C 14 56.917 56.917 59.034 -2.117 18734 52 1 . 1 1 14 14 SER CB C 14 61.536 61.536 64.305 -2.769 18734 53 1 . 1 1 14 14 SER H H 14 8.507 8.507 8.586 -0.079 18734 54 1 . 1 1 15 15 LEU N N 15 119.294 119.294 121.157 -1.863 18734 55 1 . 1 1 15 15 LEU HA H 15 3.989 3.989 4.507 -0.518 18734 56 1 . 1 1 15 15 LEU CA C 15 53.219 53.219 54.971 -1.752 18734 57 1 . 1 1 15 15 LEU CB C 15 39.813 39.813 40.872 -1.059 18734 58 1 . 1 1 15 15 LEU H H 15 6.908 6.908 8.099 -1.191 18734 59 1 . 1 1 16 16 PHE N N 16 117.103 117.103 120.508 -3.405 18734 60 1 . 1 1 16 16 PHE HA H 16 4.397 4.397 4.539 -0.142 18734 61 1 . 1 1 16 16 PHE CA C 16 56.719 56.719 59.521 -2.802 18734 62 1 . 1 1 16 16 PHE CB C 16 37.917 37.917 39.222 -1.305 18734 63 1 . 1 1 16 16 PHE H H 16 7.658 7.658 8.091 -0.433 18734 64 1 . 1 1 17 17 ALA N N 17 120.694 120.694 121.491 -0.797 18734 65 1 . 1 1 17 17 ALA HA H 17 3.964 3.964 4.474 -0.510 18734 66 1 . 1 1 17 17 ALA CA C 17 51.840 51.840 52.478 -0.638 18734 67 1 . 1 1 17 17 ALA CB C 17 15.004 15.004 17.265 -2.261 18734 68 1 . 1 1 17 17 ALA H H 17 7.514 7.514 8.105 -0.591 18734 69 1 . 1 1 18 18 GLY N N 18 110.007 110.007 108.971 1.036 18734 70 1 . 1 1 18 18 GLY CA C 18 43.150 43.150 45.238 -2.088 18734 71 1 . 1 1 18 18 GLY H H 18 8.204 8.204 8.134 0.070 18734 72 1 . 1 1 19 19 ASN N N 19 119.323 119.323 120.700 -1.377 18734 73 1 . 1 1 19 19 ASN HA H 19 4.733 4.733 4.984 -0.251 18734 74 1 . 1 1 19 19 ASN CB C 19 36.020 36.020 39.504 -3.484 18734 75 1 . 1 1 19 19 ASN H H 19 8.124 8.124 7.848 0.276 18734 76 1 . 1 1 20 20 THR N N 20 116.844 116.844 116.143 0.701 18734 77 1 . 1 1 20 20 THR HA H 20 4.243 4.243 4.357 -0.114 18734 78 1 . 1 1 20 20 THR CA C 20 60.224 60.224 63.117 -2.893 18734 79 1 . 1 1 20 20 THR CB C 20 66.167 66.167 68.626 -2.459 18734 80 1 . 1 1 20 20 THR H H 20 8.400 8.400 8.593 -0.193 18734 81 1 . 1 1 21 21 VAL N N 21 117.661 117.661 119.118 -1.457 18734 82 1 . 1 1 21 21 VAL HA H 21 4.161 4.161 4.253 -0.092 18734 83 1 . 1 1 21 21 VAL CA C 21 59.739 59.739 61.632 -1.893 18734 84 1 . 1 1 21 21 VAL CB C 21 31.224 31.224 32.931 -1.707 18734 85 1 . 1 1 21 21 VAL H H 21 8.412 8.412 7.697 0.715 18734 86 1 . 1 1 22 22 ILE N N 22 120.465 120.465 122.786 -2.321 18734 87 1 . 1 1 22 22 ILE HA H 22 3.873 3.873 4.192 -0.319 18734 88 1 . 1 1 22 22 ILE CA C 22 59.860 59.860 60.900 -1.040 18734 89 1 . 1 1 22 22 ILE CB C 22 37.052 37.052 37.879 -0.827 18734 90 1 . 1 1 22 22 ILE H H 22 7.300 7.300 7.687 -0.387 18734 91 1 . 1 1 23 23 ARG N N 23 122.168 122.168 126.311 -4.143 18734 92 1 . 1 1 23 23 ARG HA H 23 4.940 4.940 4.457 0.483 18734 93 1 . 1 1 23 23 ARG CA C 23 54.175 54.175 57.416 -3.241 18734 94 1 . 1 1 23 23 ARG CB C 23 30.921 30.921 30.910 0.011 18734 95 1 . 1 1 23 23 ARG H H 23 8.328 8.328 8.352 -0.024 18734 96 1 . 1 1 24 24 GLU N N 24 117.968 117.968 116.791 1.177 18734 97 1 . 1 1 24 24 GLU HA H 24 5.100 5.100 4.833 0.267 18734 98 1 . 1 1 24 24 GLU CA C 24 51.948 51.948 55.267 -3.319 18734 99 1 . 1 1 24 24 GLU CB C 24 30.737 30.737 33.281 -2.544 18734 100 1 . 1 1 24 24 GLU H H 24 7.474 7.474 7.717 -0.243 18734 101 1 . 1 1 25 25 ILE N N 25 121.135 121.135 124.700 -3.565 18734 102 1 . 1 1 25 25 ILE HA H 25 4.205 4.205 4.465 -0.260 18734 103 1 . 1 1 25 25 ILE CA C 25 57.149 57.149 60.128 -2.979 18734 104 1 . 1 1 25 25 ILE CB C 25 39.882 39.882 40.500 -0.618 18734 105 1 . 1 1 25 25 ILE H H 25 7.591 7.591 8.278 -0.687 18734 106 1 . 1 1 26 26 THR N N 26 122.935 122.935 123.934 -0.999 18734 107 1 . 1 1 26 26 THR HA H 26 4.999 4.999 4.603 0.396 18734 108 1 . 1 1 26 26 THR CA C 26 59.185 59.185 62.911 -3.726 18734 109 1 . 1 1 26 26 THR CB C 26 67.259 67.259 69.216 -1.957 18734 110 1 . 1 1 26 26 THR H H 26 8.243 8.243 8.571 -0.328 18734 111 1 . 1 1 27 27 VAL N N 27 124.220 124.220 125.339 -1.119 18734 112 1 . 1 1 27 27 VAL HA H 27 4.421 4.421 4.479 -0.058 18734 113 1 . 1 1 27 27 VAL CA C 27 58.144 58.144 60.645 -2.501 18734 114 1 . 1 1 27 27 VAL CB C 27 30.727 30.727 34.295 -3.568 18734 115 1 . 1 1 27 27 VAL H H 27 9.216 9.216 8.921 0.295 18734 116 1 . 1 1 28 28 GLN N N 28 129.280 129.280 123.856 5.424 18734 117 1 . 1 1 28 28 GLN HA H 28 4.702 4.702 5.064 -0.362 18734 118 1 . 1 1 28 28 GLN CB C 28 25.480 25.480 29.212 -3.732 18734 119 1 . 1 1 28 28 GLN H H 28 8.782 8.782 8.631 0.151 18734 120 1 . 1 1 29 29 PRO HA H 29 3.457 3.457 3.219 0.238 18734 121 1 . 1 1 29 29 PRO CA C 29 60.712 60.712 62.440 -1.728 18734 122 1 . 1 1 29 29 PRO CB C 29 30.122 30.122 32.178 -2.056 18734 123 1 . 1 1 30 30 ASN N N 30 113.396 113.396 115.588 -2.192 18734 124 1 . 1 1 30 30 ASN HA H 30 4.329 4.329 4.186 0.143 18734 125 1 . 1 1 30 30 ASN CA C 30 51.999 51.999 54.667 -2.668 18734 126 1 . 1 1 30 30 ASN CB C 30 34.627 34.627 37.251 -2.624 18734 127 1 . 1 1 30 30 ASN H H 30 8.199 8.199 8.470 -0.271 18734 128 1 . 1 1 31 31 ILE N N 31 115.907 115.907 119.043 -3.136 18734 129 1 . 1 1 31 31 ILE HA H 31 4.395 4.395 4.290 0.105 18734 130 1 . 1 1 31 31 ILE CA C 31 57.434 57.434 60.104 -2.670 18734 131 1 . 1 1 31 31 ILE CB C 31 36.859 36.859 38.297 -1.438 18734 132 1 . 1 1 31 31 ILE H H 31 8.201 8.201 7.885 0.316 18734 133 1 . 1 1 32 32 GLY N N 32 111.217 111.217 109.141 2.076 18734 134 1 . 1 1 32 32 GLY CA C 32 41.729 41.729 44.357 -2.628 18734 135 1 . 1 1 32 32 GLY H H 32 7.998 7.998 7.700 0.298 18734 136 1 . 1 1 33 33 LEU N N 33 120.007 120.007 121.454 -1.447 18734 137 1 . 1 1 33 33 LEU HA H 33 3.880 3.880 4.447 -0.567 18734 138 1 . 1 1 33 33 LEU CA C 33 53.595 53.595 54.879 -1.284 18734 139 1 . 1 1 33 33 LEU CB C 33 40.528 40.528 42.984 -2.456 18734 140 1 . 1 1 33 33 LEU H H 33 7.820 7.820 8.371 -0.551 18734 141 1 . 1 1 34 34 LEU N N 34 128.106 128.106 127.570 0.536 18734 142 1 . 1 1 34 34 LEU HA H 34 4.485 4.485 4.292 0.193 18734 143 1 . 1 1 34 34 LEU CA C 34 51.078 51.078 53.965 -2.887 18734 144 1 . 1 1 34 34 LEU CB C 34 37.447 37.447 40.559 -3.111 18734 145 1 . 1 1 34 34 LEU H H 34 8.551 8.551 8.502 0.049 18734 146 1 . 1 1 35 35 TYR N N 35 121.473 121.473 120.823 0.650 18734 147 1 . 1 1 35 35 TYR HA H 35 4.240 4.240 4.524 -0.284 18734 148 1 . 1 1 35 35 TYR CA C 35 53.814 53.814 55.482 -1.668 18734 149 1 . 1 1 35 35 TYR CB C 35 36.868 36.868 38.991 -2.123 18734 150 1 . 1 1 35 35 TYR H H 35 6.363 6.363 7.740 -1.377 18734 151 1 . 1 1 36 36 ASP N N 36 119.590 119.590 119.421 0.169 18734 152 1 . 1 1 36 36 ASP HA H 36 3.980 3.980 4.537 -0.557 18734 153 1 . 1 1 36 36 ASP CA C 36 52.760 52.760 54.412 -1.652 18734 154 1 . 1 1 36 36 ASP CB C 36 37.119 37.119 40.704 -3.585 18734 155 1 . 1 1 36 36 ASP H H 36 8.573 8.573 8.449 0.124 18734 156 1 . 1 1 37 37 GLY N N 37 108.636 108.636 112.148 -3.512 18734 157 1 . 1 1 37 37 GLY CA C 37 44.335 44.335 45.484 -1.149 18734 158 1 . 1 1 37 37 GLY H H 37 7.903 7.903 8.686 -0.783 18734 159 1 . 1 1 38 38 MET N N 38 120.339 120.339 119.672 0.667 18734 160 1 . 1 1 38 38 MET HA H 38 3.631 3.631 3.637 -0.006 18734 161 1 . 1 1 38 38 MET CA C 38 56.101 56.101 58.058 -1.957 18734 162 1 . 1 1 38 38 MET CB C 38 29.166 29.166 31.644 -2.478 18734 163 1 . 1 1 38 38 MET H H 38 7.873 7.873 7.239 0.634 18734 164 1 . 1 1 39 39 PHE N N 39 115.430 115.430 112.365 3.065 18734 165 1 . 1 1 39 39 PHE HA H 39 4.908 4.908 4.834 0.074 18734 166 1 . 1 1 39 39 PHE CA C 39 52.898 52.898 55.583 -2.685 18734 167 1 . 1 1 39 39 PHE CB C 39 36.647 36.647 38.357 -1.710 18734 168 1 . 1 1 39 39 PHE H H 39 8.504 8.504 7.521 0.983 18734 169 1 . 1 1 40 40 SER N N 40 113.647 113.647 117.154 -3.507 18734 170 1 . 1 1 40 40 SER HA H 40 4.238 4.238 4.281 -0.043 18734 171 1 . 1 1 40 40 SER CA C 40 56.954 56.954 60.181 -3.227 18734 172 1 . 1 1 40 40 SER CB C 40 60.458 60.458 62.712 -2.254 18734 173 1 . 1 1 40 40 SER H H 40 7.264 7.264 7.716 -0.452 18734 174 1 . 1 1 41 41 GLY N N 41 115.225 115.225 114.458 0.767 18734 175 1 . 1 1 41 41 GLY CA C 41 42.941 42.941 45.183 -2.242 18734 176 1 . 1 1 41 41 GLY H H 41 9.110 9.110 8.551 0.559 18734 177 1 . 1 1 42 42 CYS N N 42 120.385 120.385 122.572 -2.187 18734 178 1 . 1 1 42 42 CYS HA H 42 4.761 4.761 4.626 0.135 18734 179 1 . 1 1 42 42 CYS CB C 42 23.867 23.867 25.421 -1.554 18734 180 1 . 1 1 42 42 CYS H H 42 7.929 7.929 8.261 -0.332 18734 181 1 . 1 1 43 43 THR N N 43 113.920 113.920 115.788 -1.868 18734 182 1 . 1 1 43 43 THR HA H 43 3.863 3.863 4.177 -0.314 18734 183 1 . 1 1 43 43 THR CA C 43 61.663 61.663 64.030 -2.367 18734 184 1 . 1 1 43 43 THR CB C 43 66.027 66.027 68.663 -2.636 18734 185 1 . 1 1 43 43 THR H H 43 7.495 7.495 8.259 -0.764 18734 186 1 . 1 1 44 44 ALA N N 44 123.479 123.479 123.281 0.198 18734 187 1 . 1 1 44 44 ALA HA H 44 4.477 4.477 4.555 -0.078 18734 188 1 . 1 1 44 44 ALA CA C 44 48.198 48.198 51.257 -3.059 18734 189 1 . 1 1 44 44 ALA CB C 44 17.096 17.096 19.560 -2.464 18734 190 1 . 1 1 44 44 ALA H H 44 8.551 8.551 7.894 0.657 18734 191 1 . 1 1 45 45 LEU N N 45 121.070 121.070 121.268 -0.198 18734 192 1 . 1 1 45 45 LEU HA H 45 3.981 3.981 4.694 -0.712 18734 193 1 . 1 1 45 45 LEU CA C 45 53.838 53.838 54.925 -1.087 18734 194 1 . 1 1 45 45 LEU CB C 45 40.243 40.243 43.133 -2.890 18734 195 1 . 1 1 45 45 LEU H H 45 6.819 6.819 7.635 -0.816 18734 196 1 . 1 1 46 46 GLU N N 46 128.627 128.627 123.942 4.685 18734 197 1 . 1 1 46 46 GLU HA H 46 4.511 4.511 4.704 -0.193 18734 198 1 . 1 1 46 46 GLU CA C 46 54.357 54.357 55.999 -1.642 18734 199 1 . 1 1 46 46 GLU CB C 46 29.883 29.883 31.878 -1.995 18734 200 1 . 1 1 46 46 GLU H H 46 9.401 9.401 8.399 1.002 18734 201 1 . 1 1 47 47 LYS N N 47 116.297 116.297 119.507 -3.210 18734 202 1 . 1 1 47 47 LYS HA H 47 5.128 5.128 4.879 0.249 18734 203 1 . 1 1 47 47 LYS CA C 47 52.808 52.808 55.222 -2.413 18734 204 1 . 1 1 47 47 LYS CB C 47 35.325 35.325 36.650 -1.325 18734 205 1 . 1 1 47 47 LYS H H 47 7.171 7.171 7.888 -0.717 18734 206 1 . 1 1 48 48 LEU N N 48 125.474 125.474 123.692 1.782 18734 207 1 . 1 1 48 48 LEU HA H 48 4.403 4.403 4.941 -0.538 18734 208 1 . 1 1 48 48 LEU CA C 48 50.489 50.489 54.094 -3.605 18734 209 1 . 1 1 48 48 LEU CB C 48 41.991 41.991 45.841 -3.850 18734 210 1 . 1 1 48 48 LEU H H 48 8.715 8.715 8.446 0.269 18734 211 1 . 1 1 49 49 ILE N N 49 127.246 127.246 124.000 3.246 18734 212 1 . 1 1 49 49 ILE HA H 49 4.145 4.145 4.721 -0.576 18734 213 1 . 1 1 49 49 ILE CA C 49 58.314 58.314 60.146 -1.832 18734 214 1 . 1 1 49 49 ILE CB C 49 36.125 36.125 41.387 -5.262 18734 215 1 . 1 1 49 49 ILE H H 49 9.131 9.131 8.773 0.358 18734 216 1 . 1 1 50 50 LEU N N 50 128.685 128.685 125.133 3.552 18734 217 1 . 1 1 50 50 LEU HA H 50 4.417 4.417 5.218 -0.801 18734 218 1 . 1 1 50 50 LEU CA C 50 50.414 50.414 53.672 -3.258 18734 219 1 . 1 1 50 50 LEU CB C 50 36.390 36.390 43.564 -7.174 18734 220 1 . 1 1 50 50 LEU H H 50 8.553 8.553 8.484 0.069 18734 221 1 . 1 1 51 51 THR N N 51 109.751 109.751 114.456 -4.705 18734 222 1 . 1 1 51 51 THR HA H 51 3.935 3.935 4.482 -0.547 18734 223 1 . 1 1 51 51 THR CA C 51 60.194 60.194 61.765 -1.571 18734 224 1 . 1 1 51 51 THR CB C 51 66.107 66.107 68.659 -2.552 18734 225 1 . 1 1 51 51 THR H H 51 6.964 6.964 8.662 -1.698 18734 226 1 . 1 1 52 52 GLY N N 52 108.656 108.656 110.103 -1.447 18734 227 1 . 1 1 52 52 GLY CA C 52 42.432 42.432 44.287 -1.854 18734 228 1 . 1 1 52 52 GLY H H 52 8.409 8.409 7.695 0.714 18734 229 1 . 1 1 53 53 GLU N N 53 119.733 119.733 119.124 0.609 18734 230 1 . 1 1 53 53 GLU HA H 53 4.061 4.061 4.462 -0.401 18734 231 1 . 1 1 53 53 GLU CA C 53 54.296 54.296 56.396 -2.100 18734 232 1 . 1 1 53 53 GLU CB C 53 27.425 27.425 30.515 -3.090 18734 233 1 . 1 1 53 53 GLU H H 53 8.741 8.741 8.752 -0.011 18734 234 1 . 1 1 54 54 ASP N N 54 118.231 118.231 116.872 1.359 18734 235 1 . 1 1 54 54 ASP HA H 54 5.035 5.035 4.846 0.189 18734 236 1 . 1 1 54 54 ASP CA C 54 46.882 46.882 51.263 -4.382 18734 237 1 . 1 1 54 54 ASP CB C 54 39.822 39.822 43.489 -3.667 18734 238 1 . 1 1 54 54 ASP H H 54 8.309 8.309 7.840 0.469 18734 239 1 . 1 1 55 55 PRO HA H 55 3.920 3.920 3.662 0.258 18734 240 1 . 1 1 55 55 PRO CA C 55 61.140 61.140 64.149 -3.009 18734 241 1 . 1 1 55 55 PRO CB C 55 30.606 30.606 31.944 -1.338 18734 242 1 . 1 1 56 56 SER N N 56 108.966 108.966 115.071 -6.105 18734 243 1 . 1 1 56 56 SER HA H 56 4.494 4.494 4.359 0.135 18734 244 1 . 1 1 56 56 SER CA C 56 57.752 57.752 60.438 -2.686 18734 245 1 . 1 1 56 56 SER CB C 56 60.574 60.574 62.808 -2.234 18734 246 1 . 1 1 56 56 SER H H 56 7.998 7.998 8.437 -0.439 18734 247 1 . 1 1 57 57 ALA N N 57 123.346 123.346 122.092 1.254 18734 248 1 . 1 1 57 57 ALA HA H 57 4.197 4.197 4.319 -0.122 18734 249 1 . 1 1 57 57 ALA CA C 57 49.452 49.452 52.779 -3.327 18734 250 1 . 1 1 57 57 ALA CB C 57 17.341 17.341 19.416 -2.075 18734 251 1 . 1 1 57 57 ALA H H 57 7.770 7.770 7.670 0.100 18734 252 1 . 1 1 58 58 TYR N N 58 118.640 118.640 117.140 1.500 18734 253 1 . 1 1 58 58 TYR HA H 58 4.844 4.844 4.799 0.045 18734 254 1 . 1 1 58 58 TYR CA C 58 54.841 54.841 57.878 -3.037 18734 255 1 . 1 1 58 58 TYR CB C 58 39.626 39.626 42.062 -2.436 18734 256 1 . 1 1 58 58 TYR H H 58 7.878 7.878 7.714 0.164 18734 257 1 . 1 1 59 59 SER N N 59 118.841 118.841 116.254 2.587 18734 258 1 . 1 1 59 59 SER HA H 59 4.584 4.584 4.818 -0.234 18734 259 1 . 1 1 59 59 SER CA C 59 54.332 54.332 57.691 -3.359 18734 260 1 . 1 1 59 59 SER CB C 59 62.866 62.866 65.533 -2.667 18734 261 1 . 1 1 59 59 SER H H 59 9.289 9.289 8.788 0.501 18734 262 1 . 1 1 60 60 ALA N N 60 125.034 125.034 122.982 2.052 18734 263 1 . 1 1 60 60 ALA HA H 60 4.726 4.726 4.822 -0.096 18734 264 1 . 1 1 60 60 ALA CB C 60 20.233 20.233 20.675 -0.442 18734 265 1 . 1 1 60 60 ALA H H 60 7.473 7.473 8.304 -0.831 18734 266 1 . 1 1 61 61 GLY N N 61 109.267 109.267 108.304 0.963 18734 267 1 . 1 1 61 61 GLY CA C 61 41.504 41.504 45.406 -3.902 18734 268 1 . 1 1 61 61 GLY H H 61 9.368 9.368 8.355 1.013 18734 269 1 . 1 1 62 62 ASP N N 62 121.898 121.898 121.156 0.742 18734 270 1 . 1 1 62 62 ASP HA H 62 4.673 4.673 4.695 -0.022 18734 271 1 . 1 1 62 62 ASP CB C 62 38.468 38.468 41.513 -3.046 18734 272 1 . 1 1 62 62 ASP H H 62 9.236 9.236 8.475 0.761 18734 273 1 . 1 1 63 63 GLY N N 63 111.438 111.438 107.235 4.203 18734 274 1 . 1 1 63 63 GLY CA C 63 43.099 43.099 44.635 -1.536 18734 275 1 . 1 1 63 63 GLY H H 63 8.774 8.774 7.951 0.823 18734 276 1 . 1 1 64 64 LEU N N 64 125.900 125.900 123.287 2.613 18734 277 1 . 1 1 64 64 LEU HA H 64 4.169 4.169 4.128 0.041 18734 278 1 . 1 1 64 64 LEU CA C 64 56.103 56.103 57.268 -1.165 18734 279 1 . 1 1 64 64 LEU CB C 64 40.431 40.431 42.359 -1.928 18734 280 1 . 1 1 64 64 LEU H H 64 7.483 7.483 7.771 -0.288 18734 281 1 . 1 1 65 65 ARG N N 65 111.696 111.696 114.089 -2.393 18734 282 1 . 1 1 65 65 ARG HA H 65 4.057 4.057 4.529 -0.472 18734 283 1 . 1 1 65 65 ARG CA C 65 51.787 51.787 54.571 -2.784 18734 284 1 . 1 1 65 65 ARG CB C 65 26.474 26.474 29.267 -2.793 18734 285 1 . 1 1 65 65 ARG H H 65 8.071 8.071 7.754 0.317 18734 286 1 . 1 1 66 66 ASP N N 66 120.559 120.559 121.889 -1.330 18734 287 1 . 1 1 66 66 ASP HA H 66 4.121 4.121 4.450 -0.329 18734 288 1 . 1 1 66 66 ASP CA C 66 53.462 53.462 56.106 -2.644 18734 289 1 . 1 1 66 66 ASP CB C 66 37.557 37.557 41.776 -4.219 18734 290 1 . 1 1 66 66 ASP H H 66 7.293 7.293 7.735 -0.442 18734 291 1 . 1 1 67 67 GLY N N 67 110.131 110.131 111.355 -1.224 18734 292 1 . 1 1 67 67 GLY CA C 67 43.985 43.985 45.573 -1.588 18734 293 1 . 1 1 67 67 GLY H H 67 8.695 8.695 8.594 0.101 18734 294 1 . 1 1 68 68 ALA N N 68 123.462 123.462 122.201 1.261 18734 295 1 . 1 1 68 68 ALA HA H 68 4.385 4.385 4.792 -0.407 18734 296 1 . 1 1 68 68 ALA CA C 68 49.065 49.065 51.400 -2.335 18734 297 1 . 1 1 68 68 ALA CB C 68 19.402 19.402 21.942 -2.540 18734 298 1 . 1 1 68 68 ALA H H 68 8.058 8.058 7.568 0.489 18734 299 1 . 1 1 69 69 ASP N N 69 116.343 116.343 118.276 -1.933 18734 300 1 . 1 1 69 69 ASP HA H 69 4.524 4.524 4.642 -0.118 18734 301 1 . 1 1 69 69 ASP CA C 69 51.240 51.240 53.974 -2.734 18734 302 1 . 1 1 69 69 ASP CB C 69 39.076 39.076 42.522 -3.446 18734 303 1 . 1 1 69 69 ASP H H 69 8.721 8.721 8.558 0.163 18734 304 1 . 1 1 70 70 PHE N N 70 113.658 113.658 119.567 -5.909 18734 305 1 . 1 1 70 70 PHE HA H 70 4.648 4.648 4.994 -0.346 18734 306 1 . 1 1 70 70 PHE CA C 70 52.114 52.114 55.483 -3.369 18734 307 1 . 1 1 70 70 PHE CB C 70 38.375 38.375 40.933 -2.558 18734 308 1 . 1 1 70 70 PHE H H 70 5.865 5.865 7.256 -1.391 18734 309 1 . 1 1 71 71 LEU N N 71 119.766 119.766 120.604 -0.838 18734 310 1 . 1 1 71 71 LEU HA H 71 4.915 4.915 4.799 0.116 18734 311 1 . 1 1 71 71 LEU CA C 71 50.797 50.797 53.971 -3.174 18734 312 1 . 1 1 71 71 LEU CB C 71 41.482 41.482 45.199 -3.717 18734 313 1 . 1 1 71 71 LEU H H 71 7.964 7.964 8.371 -0.407 18734 314 1 . 1 1 72 72 ILE N N 72 123.675 123.675 121.556 2.119 18734 315 1 . 1 1 72 72 ILE HA H 72 4.728 4.728 4.641 0.087 18734 316 1 . 1 1 72 72 ILE CB C 72 36.921 36.921 39.755 -2.834 18734 317 1 . 1 1 72 72 ILE H H 72 9.073 9.073 8.904 0.169 18734 318 1 . 1 1 73 73 CYS N N 73 125.409 125.409 126.577 -1.168 18734 319 1 . 1 1 73 73 CYS HA H 73 5.534 5.534 5.311 0.223 18734 320 1 . 1 1 73 73 CYS CA C 73 54.056 54.056 58.069 -4.013 18734 321 1 . 1 1 73 73 CYS CB C 73 27.753 27.753 28.727 -0.974 18734 322 1 . 1 1 73 73 CYS H H 73 9.060 9.060 8.737 0.323 18734 323 1 . 1 1 74 74 VAL N N 74 114.408 114.408 118.566 -4.158 18734 324 1 . 1 1 74 74 VAL HA H 74 4.951 4.951 4.747 0.204 18734 325 1 . 1 1 74 74 VAL CA C 74 54.229 54.229 57.647 -3.418 18734 326 1 . 1 1 74 74 VAL CB C 74 29.675 29.675 33.898 -4.223 18734 327 1 . 1 1 74 74 VAL H H 74 7.938 7.938 8.765 -0.827 18734 328 1 . 1 1 75 75 PRO HA H 75 4.283 4.283 4.567 -0.284 18734 329 1 . 1 1 75 75 PRO CA C 75 60.889 60.889 62.503 -1.614 18734 330 1 . 1 1 75 75 PRO CB C 75 29.499 29.499 32.501 -3.002 18734 331 1 . 1 1 76 76 GLU N N 76 126.159 126.159 122.891 3.268 18734 332 1 . 1 1 76 76 GLU HA H 76 3.664 3.664 3.864 -0.200 18734 333 1 . 1 1 76 76 GLU CA C 76 58.112 58.112 59.707 -1.595 18734 334 1 . 1 1 76 76 GLU CB C 76 26.894 26.894 28.905 -2.011 18734 335 1 . 1 1 76 76 GLU H H 76 9.130 9.130 8.880 0.250 18734 336 1 . 1 1 77 77 GLU N N 77 117.145 117.145 119.383 -2.238 18734 337 1 . 1 1 77 77 GLU HA H 77 4.100 4.100 4.151 -0.051 18734 338 1 . 1 1 77 77 GLU CA C 77 55.734 55.734 58.148 -2.414 18734 339 1 . 1 1 77 77 GLU CB C 77 26.315 26.315 29.333 -3.018 18734 340 1 . 1 1 77 77 GLU H H 77 9.350 9.350 8.585 0.765 18734 341 1 . 1 1 78 78 ALA N N 78 120.398 120.398 119.853 0.544 18734 342 1 . 1 1 78 78 ALA HA H 78 4.699 4.699 4.448 0.251 18734 343 1 . 1 1 78 78 ALA CB C 78 18.962 18.962 19.216 -0.254 18734 344 1 . 1 1 78 78 ALA H H 78 8.044 8.044 7.757 0.287 18734 345 1 . 1 1 79 79 LEU N N 79 122.497 122.497 121.310 1.187 18734 346 1 . 1 1 79 79 LEU HA H 79 3.710 3.710 3.954 -0.244 18734 347 1 . 1 1 79 79 LEU CA C 79 56.837 56.837 58.400 -1.563 18734 348 1 . 1 1 79 79 LEU CB C 79 40.952 40.952 41.855 -0.903 18734 349 1 . 1 1 79 79 LEU H H 79 7.331 7.331 7.564 -0.233 18734 350 1 . 1 1 80 80 ASP N N 80 116.432 116.432 117.564 -1.132 18734 351 1 . 1 1 80 80 ASP HA H 80 4.357 4.357 4.391 -0.034 18734 352 1 . 1 1 80 80 ASP CA C 80 54.751 54.751 57.116 -2.365 18734 353 1 . 1 1 80 80 ASP CB C 80 38.534 38.534 40.610 -2.076 18734 354 1 . 1 1 80 80 ASP H H 80 8.305 8.305 8.512 -0.207 18734 355 1 . 1 1 81 81 ARG N N 81 119.433 119.433 119.883 -0.450 18734 356 1 . 1 1 81 81 ARG HA H 81 3.894 3.894 4.029 -0.135 18734 357 1 . 1 1 81 81 ARG CA C 81 56.473 56.473 59.483 -3.010 18734 358 1 . 1 1 81 81 ARG CB C 81 27.481 27.481 30.169 -2.688 18734 359 1 . 1 1 81 81 ARG H H 81 7.638 7.638 8.065 -0.427 18734 360 1 . 1 1 82 82 TYR N N 82 116.397 116.397 117.120 -0.723 18734 361 1 . 1 1 82 82 TYR HA H 82 3.830 3.830 4.256 -0.426 18734 362 1 . 1 1 82 82 TYR CA C 82 61.170 61.170 60.986 0.184 18734 363 1 . 1 1 82 82 TYR CB C 82 37.031 37.031 38.031 -1.000 18734 364 1 . 1 1 82 82 TYR H H 82 8.198 8.198 8.349 -0.151 18734 365 1 . 1 1 83 83 ARG N N 83 113.114 113.114 117.916 -4.802 18734 366 1 . 1 1 83 83 ARG HA H 83 3.728 3.728 4.122 -0.394 18734 367 1 . 1 1 83 83 ARG CA C 83 58.115 58.115 59.045 -0.930 18734 368 1 . 1 1 83 83 ARG CB C 83 28.107 28.107 30.135 -2.028 18734 369 1 . 1 1 83 83 ARG H H 83 8.151 8.151 7.719 0.432 18734 370 1 . 1 1 84 84 ARG N N 84 111.791 111.791 116.553 -4.761 18734 371 1 . 1 1 84 84 ARG HA H 84 4.386 4.386 4.380 0.006 18734 372 1 . 1 1 84 84 ARG CA C 84 52.335 52.335 56.207 -3.872 18734 373 1 . 1 1 84 84 ARG CB C 84 27.987 27.987 30.181 -2.194 18734 374 1 . 1 1 84 84 ARG H H 84 7.571 7.571 7.658 -0.087 18734 375 1 . 1 1 85 85 ASP N N 85 123.157 123.157 120.341 2.816 18734 376 1 . 1 1 85 85 ASP HA H 85 4.373 4.373 4.669 -0.296 18734 377 1 . 1 1 85 85 ASP CA C 85 52.852 52.852 54.188 -1.336 18734 378 1 . 1 1 85 85 ASP CB C 85 42.482 42.482 42.391 0.091 18734 379 1 . 1 1 85 85 ASP H H 85 7.200 7.200 7.631 -0.431 18734 380 1 . 1 1 86 86 TYR N N 86 123.389 123.389 123.987 -0.598 18734 381 1 . 1 1 86 86 TYR HA H 86 4.092 4.092 4.446 -0.354 18734 382 1 . 1 1 86 86 TYR CA C 86 58.674 58.674 60.434 -1.760 18734 383 1 . 1 1 86 86 TYR CB C 86 35.801 35.801 39.030 -3.229 18734 384 1 . 1 1 86 86 TYR H H 86 8.440 8.440 8.859 -0.419 18734 385 1 . 1 1 87 87 PHE N N 87 117.092 117.092 118.950 -1.858 18734 386 1 . 1 1 87 87 PHE HA H 87 4.378 4.378 4.549 -0.171 18734 387 1 . 1 1 87 87 PHE CA C 87 57.433 57.433 58.794 -1.361 18734 388 1 . 1 1 87 87 PHE CB C 87 37.442 37.442 39.839 -2.397 18734 389 1 . 1 1 87 87 PHE H H 87 7.931 7.931 8.511 -0.580 18734 390 1 . 1 1 88 88 TRP N N 88 121.396 121.396 119.840 1.556 18734 391 1 . 1 1 88 88 TRP HA H 88 3.798 3.798 4.360 -0.562 18734 392 1 . 1 1 88 88 TRP CA C 88 59.544 59.544 60.759 -1.215 18734 393 1 . 1 1 88 88 TRP CB C 88 26.293 26.293 29.166 -2.873 18734 394 1 . 1 1 88 88 TRP H H 88 9.757 9.757 8.918 0.839 18734 395 1 . 1 1 89 89 GLN N N 89 117.760 117.760 119.053 -1.293 18734 396 1 . 1 1 89 89 GLN HA H 89 4.393 4.393 3.975 0.418 18734 397 1 . 1 1 89 89 GLN CA C 89 55.882 55.882 59.007 -3.125 18734 398 1 . 1 1 89 89 GLN CB C 89 30.198 30.198 28.016 2.182 18734 399 1 . 1 1 89 89 GLN H H 89 8.490 8.490 8.208 0.282 18734 400 1 . 1 1 90 90 THR N N 90 118.285 118.285 114.994 3.291 18734 401 1 . 1 1 90 90 THR HA H 90 3.686 3.686 4.025 -0.339 18734 402 1 . 1 1 90 90 THR CA C 90 62.770 62.770 65.233 -2.463 18734 403 1 . 1 1 90 90 THR CB C 90 66.664 66.664 68.686 -2.023 18734 404 1 . 1 1 90 90 THR H H 90 7.932 7.932 7.909 0.023 18734 405 1 . 1 1 91 91 TYR N N 91 118.448 118.448 119.071 -0.623 18734 406 1 . 1 1 91 91 TYR HA H 91 4.975 4.975 4.914 0.061 18734 407 1 . 1 1 91 91 TYR CA C 91 55.511 55.511 58.242 -2.731 18734 408 1 . 1 1 91 91 TYR CB C 91 37.126 37.126 37.914 -0.789 18734 409 1 . 1 1 91 91 TYR H H 91 8.009 8.009 7.875 0.134 18734 410 1 . 1 1 92 92 ALA N N 92 122.351 122.351 123.284 -0.933 18734 411 1 . 1 1 92 92 ALA HA H 92 3.843 3.843 4.173 -0.330 18734 412 1 . 1 1 92 92 ALA CA C 92 54.108 54.108 54.406 -0.298 18734 413 1 . 1 1 92 92 ALA CB C 92 16.505 16.505 18.011 -1.506 18734 414 1 . 1 1 92 92 ALA H H 92 7.665 7.665 7.926 -0.261 18734 415 1 . 1 1 93 93 ALA N N 93 117.548 117.548 120.060 -2.512 18734 416 1 . 1 1 93 93 ALA HA H 93 3.702 3.702 3.883 -0.181 18734 417 1 . 1 1 93 93 ALA CA C 93 51.371 51.371 53.270 -1.899 18734 418 1 . 1 1 93 93 ALA CB C 93 14.292 14.292 17.962 -3.670 18734 419 1 . 1 1 93 93 ALA H H 93 8.275 8.275 7.997 0.278 18734 420 1 . 1 1 94 94 TRP N N 94 115.303 115.303 114.875 0.428 18734 421 1 . 1 1 94 94 TRP HA H 94 4.669 4.669 4.934 -0.265 18734 422 1 . 1 1 94 94 TRP CB C 94 26.912 26.912 30.487 -3.575 18734 423 1 . 1 1 94 94 TRP H H 94 8.203 8.203 7.881 0.322 18734 424 1 . 1 1 95 95 ILE N N 95 120.680 120.680 121.392 -0.712 18734 425 1 . 1 1 95 95 ILE HA H 95 5.325 5.325 4.499 0.826 18734 426 1 . 1 1 95 95 ILE CA C 95 57.930 57.930 61.247 -3.317 18734 427 1 . 1 1 95 95 ILE CB C 95 36.508 36.508 38.163 -1.655 18734 428 1 . 1 1 95 95 ILE H H 95 7.153 7.153 7.549 -0.396 18734 429 1 . 1 1 96 96 GLN N N 96 128.223 128.223 125.872 2.351 18734 430 1 . 1 1 96 96 GLN HA H 96 4.691 4.691 4.914 -0.223 18734 431 1 . 1 1 96 96 GLN CB C 96 28.885 28.885 29.506 -0.621 18734 432 1 . 1 1 96 96 GLN H H 96 9.189 9.189 8.649 0.540 18734 433 1 . 1 1 97 97 PRO HA H 97 4.833 4.833 4.821 0.012 18734 434 1 . 1 1 97 97 PRO CA C 97 59.122 59.122 62.615 -3.493 18734 435 1 . 1 1 97 97 PRO CB C 97 29.515 29.515 32.643 -3.128 18734 436 1 . 1 1 98 98 MET N N 98 120.815 120.815 119.355 1.460 18734 437 1 . 1 1 98 98 MET HA H 98 4.116 4.116 4.506 -0.390 18734 438 1 . 1 1 98 98 MET CA C 98 52.944 52.944 55.693 -2.749 18734 439 1 . 1 1 98 98 MET CB C 98 30.981 30.981 33.532 -2.551 18734 440 1 . 1 1 98 98 MET H H 98 8.551 8.551 8.163 0.388 18734 441 1 . 1 1 99 99 GLU N N 99 124.677 124.677 120.159 4.518 18734 442 1 . 1 1 99 99 GLU HA H 99 4.220 4.220 4.552 -0.332 18734 443 1 . 1 1 99 99 GLU CA C 99 53.952 53.952 55.738 -1.786 18734 444 1 . 1 1 99 99 GLU CB C 99 27.803 27.803 30.934 -3.131 18734 445 1 . 1 1 99 99 GLU H H 99 8.532 8.532 8.430 0.102 18734 stop_ save_