data_25663 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25663 _Entry.PDB_ID 2N40 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 25663 _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 VAL N N 2 122.742 122.742 119.647 3.095 25663 2 1 1 . 1 1 2 2 VAL HA H 2 5.257 5.257 4.256 1.001 25663 3 1 1 . 1 1 2 2 VAL C C 2 174.533 174.533 176.217 -1.684 25663 4 1 1 . 1 1 2 2 VAL CA C 2 60.536 60.536 61.807 -1.271 25663 5 1 1 . 1 1 2 2 VAL CB C 2 33.278 33.278 32.450 0.828 25663 6 1 1 . 1 1 2 2 VAL H H 2 8.486 8.486 8.114 0.372 25663 7 1 1 . 1 1 3 3 TYR N N 3 120.172 120.172 120.969 -0.797 25663 8 1 1 . 1 1 3 3 TYR HA H 3 4.964 4.964 5.183 -0.219 25663 9 1 1 . 1 1 3 3 TYR C C 3 173.399 173.399 173.676 -0.277 25663 10 1 1 . 1 1 3 3 TYR CA C 3 56.073 56.073 56.935 -0.862 25663 11 1 1 . 1 1 3 3 TYR CB C 3 40.278 40.278 40.444 -0.166 25663 12 1 1 . 1 1 3 3 TYR H H 3 8.715 8.715 8.401 0.314 25663 13 1 1 . 1 1 4 4 HIS N N 4 121.237 121.237 119.915 1.322 25663 14 1 1 . 1 1 4 4 HIS HA H 4 4.929 4.929 5.083 -0.154 25663 15 1 1 . 1 1 4 4 HIS C C 4 172.844 172.844 174.567 -1.723 25663 16 1 1 . 1 1 4 4 HIS CA C 4 54.154 54.154 55.260 -1.106 25663 17 1 1 . 1 1 4 4 HIS CB C 4 30.961 30.961 31.551 -0.590 25663 18 1 1 . 1 1 4 4 HIS H H 4 9.414 9.414 8.585 0.829 25663 19 1 1 . 1 1 5 5 ARG N N 5 128.770 128.770 121.682 7.088 25663 20 1 1 . 1 1 5 5 ARG HA H 5 4.619 4.619 4.707 -0.088 25663 21 1 1 . 1 1 5 5 ARG C C 5 172.967 172.967 174.184 -1.217 25663 22 1 1 . 1 1 5 5 ARG CA C 5 53.177 53.177 55.144 -1.967 25663 23 1 1 . 1 1 5 5 ARG CB C 5 33.832 33.832 33.201 0.631 25663 24 1 1 . 1 1 5 5 ARG H H 5 8.805 8.805 8.293 0.512 25663 25 1 1 . 1 1 6 6 GLU N N 6 121.037 121.037 121.343 -0.306 25663 26 1 1 . 1 1 6 6 GLU HA H 6 4.490 4.490 4.890 -0.400 25663 27 1 1 . 1 1 6 6 GLU C C 6 176.264 176.264 175.288 0.976 25663 28 1 1 . 1 1 6 6 GLU CA C 6 53.336 53.336 54.765 -1.429 25663 29 1 1 . 1 1 6 6 GLU CB C 6 33.133 33.133 32.882 0.251 25663 30 1 1 . 1 1 6 6 GLU H H 6 8.232 8.232 8.422 -0.190 25663 31 1 1 . 1 1 7 7 ALA N N 7 123.438 123.438 125.045 -1.607 25663 32 1 1 . 1 1 7 7 ALA HA H 7 4.215 4.215 4.169 0.046 25663 33 1 1 . 1 1 7 7 ALA C C 7 178.419 178.419 177.809 0.610 25663 34 1 1 . 1 1 7 7 ALA CA C 7 52.182 52.182 53.316 -1.134 25663 35 1 1 . 1 1 7 7 ALA CB C 7 20.128 20.128 19.557 0.571 25663 36 1 1 . 1 1 7 7 ALA H H 7 8.756 8.756 8.201 0.555 25663 37 1 1 . 1 1 8 8 ARG N N 8 122.559 122.559 122.109 0.450 25663 38 1 1 . 1 1 8 8 ARG HA H 8 3.998 3.998 4.194 -0.196 25663 39 1 1 . 1 1 8 8 ARG C C 8 177.448 177.448 177.355 0.093 25663 40 1 1 . 1 1 8 8 ARG CA C 8 58.660 58.660 57.781 0.879 25663 41 1 1 . 1 1 8 8 ARG CB C 8 29.406 29.406 30.374 -0.968 25663 42 1 1 . 1 1 8 8 ARG H H 8 8.945 8.945 8.654 0.291 25663 43 1 1 . 1 1 9 9 SER N N 9 107.309 107.309 114.247 -6.938 25663 44 1 1 . 1 1 9 9 SER HA H 9 4.261 4.261 4.557 -0.296 25663 45 1 1 . 1 1 9 9 SER C C 9 174.411 174.411 173.622 0.789 25663 46 1 1 . 1 1 9 9 SER CA C 9 58.081 58.081 57.328 0.753 25663 47 1 1 . 1 1 9 9 SER CB C 9 62.972 62.972 63.153 -0.181 25663 48 1 1 . 1 1 9 9 SER H H 9 7.445 7.445 8.091 -0.646 25663 49 1 1 . 1 1 10 10 GLY N N 10 109.574 109.574 108.315 1.259 25663 50 1 1 . 1 1 10 10 GLY C C 10 171.580 171.580 172.886 -1.306 25663 51 1 1 . 1 1 10 10 GLY CA C 10 44.036 44.036 45.080 -1.044 25663 52 1 1 . 1 1 10 10 GLY H H 10 7.379 7.379 7.295 0.084 25663 53 1 1 . 1 1 11 11 LYS N N 11 121.683 121.683 118.447 3.236 25663 54 1 1 . 1 1 11 11 LYS HA H 11 3.993 3.993 4.327 -0.334 25663 55 1 1 . 1 1 11 11 LYS C C 11 175.995 175.995 174.588 1.407 25663 56 1 1 . 1 1 11 11 LYS CA C 11 57.374 57.374 56.090 1.284 25663 57 1 1 . 1 1 11 11 LYS CB C 11 34.009 34.009 33.978 0.031 25663 58 1 1 . 1 1 11 11 LYS H H 11 8.040 8.040 7.869 0.171 25663 59 1 1 . 1 1 12 12 TYR N N 12 122.956 122.956 120.394 2.562 25663 60 1 1 . 1 1 12 12 TYR HA H 12 3.990 3.990 4.674 -0.684 25663 61 1 1 . 1 1 12 12 TYR C C 12 173.905 173.905 175.009 -1.104 25663 62 1 1 . 1 1 12 12 TYR CA C 12 54.397 54.397 57.983 -3.586 25663 63 1 1 . 1 1 12 12 TYR CB C 12 32.105 32.105 37.358 -5.253 25663 64 1 1 . 1 1 12 12 TYR H H 12 9.830 9.830 8.512 1.318 25663 65 1 1 . 1 1 13 13 LYS N N 13 114.683 114.683 122.048 -7.365 25663 66 1 1 . 1 1 13 13 LYS HA H 13 4.577 4.577 4.667 -0.090 25663 67 1 1 . 1 1 13 13 LYS C C 13 176.999 176.999 175.582 1.417 25663 68 1 1 . 1 1 13 13 LYS CA C 13 55.014 55.014 55.653 -0.639 25663 69 1 1 . 1 1 13 13 LYS CB C 13 35.021 35.021 33.157 1.864 25663 70 1 1 . 1 1 13 13 LYS H H 13 8.445 8.445 8.201 0.244 25663 71 1 1 . 1 1 14 14 LEU N N 14 123.176 123.176 122.961 0.215 25663 72 1 1 . 1 1 14 14 LEU HA H 14 5.122 5.122 4.790 0.332 25663 73 1 1 . 1 1 14 14 LEU C C 14 178.304 178.304 176.060 2.244 25663 74 1 1 . 1 1 14 14 LEU CA C 14 54.800 54.800 53.902 0.898 25663 75 1 1 . 1 1 14 14 LEU CB C 14 43.528 43.528 43.336 0.192 25663 76 1 1 . 1 1 14 14 LEU H H 14 9.479 9.479 7.571 1.908 25663 77 1 1 . 1 1 15 15 THR N N 15 116.144 116.144 114.483 1.661 25663 78 1 1 . 1 1 15 15 THR HA H 15 5.485 5.485 4.797 0.688 25663 79 1 1 . 1 1 15 15 THR C C 15 174.697 174.697 174.873 -0.176 25663 80 1 1 . 1 1 15 15 THR CA C 15 61.722 61.722 59.776 1.946 25663 81 1 1 . 1 1 15 15 THR CB C 15 70.914 70.914 71.576 -0.662 25663 82 1 1 . 1 1 15 15 THR H H 15 8.792 8.792 8.376 0.416 25663 83 1 1 . 1 1 16 16 TYR N N 16 120.594 120.594 123.601 -3.007 25663 84 1 1 . 1 1 16 16 TYR HA H 16 2.375 2.375 4.053 -1.678 25663 85 1 1 . 1 1 16 16 TYR C C 16 176.133 176.133 176.854 -0.721 25663 86 1 1 . 1 1 16 16 TYR CA C 16 61.408 61.408 63.194 -1.786 25663 87 1 1 . 1 1 16 16 TYR CB C 16 36.889 36.889 38.154 -1.265 25663 88 1 1 . 1 1 16 16 TYR H H 16 7.402 7.402 8.543 -1.141 25663 89 1 1 . 1 1 17 17 ALA N N 17 118.108 118.108 119.655 -1.547 25663 90 1 1 . 1 1 17 17 ALA HA H 17 3.509 3.509 3.663 -0.154 25663 91 1 1 . 1 1 17 17 ALA C C 17 181.575 181.575 179.449 2.126 25663 92 1 1 . 1 1 17 17 ALA CA C 17 54.732 54.732 54.890 -0.158 25663 93 1 1 . 1 1 17 17 ALA CB C 17 18.124 18.124 17.926 0.198 25663 94 1 1 . 1 1 17 17 ALA H H 17 8.545 8.545 8.270 0.275 25663 95 1 1 . 1 1 18 18 GLU N N 18 117.696 117.696 119.225 -1.529 25663 96 1 1 . 1 1 18 18 GLU HA H 18 3.879 3.879 4.028 -0.149 25663 97 1 1 . 1 1 18 18 GLU C C 18 178.624 178.624 178.486 0.138 25663 98 1 1 . 1 1 18 18 GLU CA C 18 58.432 58.432 58.478 -0.046 25663 99 1 1 . 1 1 18 18 GLU CB C 18 30.814 30.814 29.282 1.532 25663 100 1 1 . 1 1 18 18 GLU H H 18 7.327 7.327 7.536 -0.209 25663 101 1 1 . 1 1 19 19 ALA N N 19 124.629 124.629 121.639 2.990 25663 102 1 1 . 1 1 19 19 ALA HA H 19 3.871 3.871 3.971 -0.100 25663 103 1 1 . 1 1 19 19 ALA C C 19 177.371 177.371 179.698 -2.327 25663 104 1 1 . 1 1 19 19 ALA CA C 19 54.955 54.955 55.389 -0.434 25663 105 1 1 . 1 1 19 19 ALA CB C 19 19.893 19.893 18.413 1.480 25663 106 1 1 . 1 1 19 19 ALA H H 19 8.744 8.744 8.494 0.250 25663 107 1 1 . 1 1 20 20 LYS N N 20 117.842 117.842 117.122 0.720 25663 108 1 1 . 1 1 20 20 LYS HA H 20 3.435 3.435 3.956 -0.521 25663 109 1 1 . 1 1 20 20 LYS C C 20 178.017 178.017 177.394 0.623 25663 110 1 1 . 1 1 20 20 LYS CA C 20 60.086 60.086 58.329 1.757 25663 111 1 1 . 1 1 20 20 LYS CB C 20 33.186 33.186 32.031 1.155 25663 112 1 1 . 1 1 20 20 LYS H H 20 8.188 8.188 7.650 0.538 25663 113 1 1 . 1 1 21 21 ALA N N 21 117.564 117.564 120.618 -3.054 25663 114 1 1 . 1 1 21 21 ALA HA H 21 4.040 4.040 4.147 -0.107 25663 115 1 1 . 1 1 21 21 ALA C C 21 180.598 180.598 178.938 1.660 25663 116 1 1 . 1 1 21 21 ALA CA C 21 54.991 54.991 54.561 0.430 25663 117 1 1 . 1 1 21 21 ALA CB C 21 18.071 18.071 18.620 -0.549 25663 118 1 1 . 1 1 21 21 ALA H H 21 7.382 7.382 7.343 0.039 25663 119 1 1 . 1 1 22 22 VAL N N 22 120.351 120.351 116.603 3.748 25663 120 1 1 . 1 1 22 22 VAL HA H 22 3.883 3.883 3.754 0.129 25663 121 1 1 . 1 1 22 22 VAL C C 22 177.921 177.921 176.059 1.862 25663 122 1 1 . 1 1 22 22 VAL CA C 22 66.242 66.242 64.364 1.878 25663 123 1 1 . 1 1 22 22 VAL CB C 22 31.136 31.136 32.130 -0.994 25663 124 1 1 . 1 1 22 22 VAL H H 22 8.203 8.203 7.603 0.600 25663 125 1 1 . 1 1 23 23 CYS N N 23 116.368 116.368 116.263 0.105 25663 126 1 1 . 1 1 23 23 CYS HA H 23 4.352 4.352 4.578 -0.226 25663 127 1 1 . 1 1 23 23 CYS C C 23 178.687 178.687 173.412 5.275 25663 128 1 1 . 1 1 23 23 CYS CA C 23 55.224 55.224 58.681 -3.457 25663 129 1 1 . 1 1 23 23 CYS CB C 23 33.542 33.542 29.766 3.776 25663 130 1 1 . 1 1 23 23 CYS H H 23 7.788 7.788 7.648 0.140 25663 131 1 1 . 1 1 24 24 GLU N N 24 120.341 120.341 118.508 1.833 25663 132 1 1 . 1 1 24 24 GLU HA H 24 4.259 4.259 3.893 0.366 25663 133 1 1 . 1 1 24 24 GLU C C 24 180.516 180.516 177.932 2.584 25663 134 1 1 . 1 1 24 24 GLU CA C 24 58.412 58.412 58.481 -0.069 25663 135 1 1 . 1 1 24 24 GLU CB C 24 28.855 28.855 29.391 -0.536 25663 136 1 1 . 1 1 24 24 GLU H H 24 8.196 8.196 8.755 -0.559 25663 137 1 1 . 1 1 25 25 PHE N N 25 124.937 124.937 120.606 4.331 25663 138 1 1 . 1 1 25 25 PHE HA H 25 4.267 4.267 4.210 0.057 25663 139 1 1 . 1 1 25 25 PHE C C 25 177.593 177.593 176.146 1.447 25663 140 1 1 . 1 1 25 25 PHE CA C 25 60.845 60.845 60.468 0.377 25663 141 1 1 . 1 1 25 25 PHE CB C 25 39.035 39.035 39.217 -0.182 25663 142 1 1 . 1 1 25 25 PHE H H 25 8.946 8.946 8.386 0.560 25663 143 1 1 . 1 1 26 26 GLU N N 26 114.486 114.486 118.519 -4.033 25663 144 1 1 . 1 1 26 26 GLU HA H 26 4.090 4.090 4.193 -0.103 25663 145 1 1 . 1 1 26 26 GLU C C 26 175.712 175.712 177.184 -1.472 25663 146 1 1 . 1 1 26 26 GLU CA C 26 56.249 56.249 56.069 0.180 25663 147 1 1 . 1 1 26 26 GLU CB C 26 29.418 29.418 28.794 0.624 25663 148 1 1 . 1 1 26 26 GLU H H 26 7.359 7.359 8.333 -0.974 25663 149 1 1 . 1 1 27 27 GLY N N 27 106.503 106.503 108.204 -1.701 25663 150 1 1 . 1 1 27 27 GLY C C 27 174.107 174.107 174.663 -0.556 25663 151 1 1 . 1 1 27 27 GLY CA C 27 45.426 45.426 44.639 0.787 25663 152 1 1 . 1 1 27 27 GLY H H 27 7.695 7.695 7.697 -0.002 25663 153 1 1 . 1 1 28 28 GLY N N 28 109.515 109.515 105.322 4.193 25663 154 1 1 . 1 1 28 28 GLY C C 28 172.079 172.079 173.000 -0.921 25663 155 1 1 . 1 1 28 28 GLY CA C 28 43.788 43.788 44.340 -0.553 25663 156 1 1 . 1 1 28 28 GLY H H 28 7.745 7.745 7.772 -0.027 25663 157 1 1 . 1 1 29 29 HIS N N 29 116.220 116.220 116.592 -0.372 25663 158 1 1 . 1 1 29 29 HIS HA H 29 4.865 4.865 4.814 0.051 25663 159 1 1 . 1 1 29 29 HIS C C 29 174.118 174.118 174.390 -0.272 25663 160 1 1 . 1 1 29 29 HIS CA C 29 54.169 54.169 55.667 -1.498 25663 161 1 1 . 1 1 29 29 HIS CB C 29 33.436 33.436 33.291 0.145 25663 162 1 1 . 1 1 29 29 HIS H H 29 8.412 8.412 8.494 -0.082 25663 163 1 1 . 1 1 30 30 LEU N N 30 124.046 124.046 124.636 -0.590 25663 164 1 1 . 1 1 30 30 LEU HA H 30 4.912 4.912 4.391 0.521 25663 165 1 1 . 1 1 30 30 LEU C C 30 178.158 178.158 177.401 0.757 25663 166 1 1 . 1 1 30 30 LEU CA C 30 56.817 56.817 54.892 1.925 25663 167 1 1 . 1 1 30 30 LEU CB C 30 42.534 42.534 41.866 0.668 25663 168 1 1 . 1 1 30 30 LEU H H 30 9.399 9.399 8.694 0.705 25663 169 1 1 . 1 1 31 31 ALA N N 31 126.730 126.730 124.982 1.748 25663 170 1 1 . 1 1 31 31 ALA HA H 31 4.403 4.403 4.478 -0.075 25663 171 1 1 . 1 1 31 31 ALA C C 31 176.879 176.879 177.757 -0.878 25663 172 1 1 . 1 1 31 31 ALA CA C 31 52.006 52.006 52.141 -0.135 25663 173 1 1 . 1 1 31 31 ALA CB C 31 19.593 19.593 19.670 -0.077 25663 174 1 1 . 1 1 31 31 ALA H H 31 9.331 9.331 8.156 1.175 25663 175 1 1 . 1 1 32 32 THR N N 32 111.206 111.206 114.018 -2.812 25663 176 1 1 . 1 1 32 32 THR HA H 32 4.528 4.528 4.717 -0.189 25663 177 1 1 . 1 1 32 32 THR C C 32 174.899 174.899 174.649 0.250 25663 178 1 1 . 1 1 32 32 THR CA C 32 59.818 59.818 59.443 0.375 25663 179 1 1 . 1 1 32 32 THR CB C 32 70.949 70.949 71.796 -0.847 25663 180 1 1 . 1 1 32 32 THR H H 32 8.511 8.511 7.550 0.961 25663 181 1 1 . 1 1 33 33 TYR N N 33 121.971 121.971 122.941 -0.970 25663 182 1 1 . 1 1 33 33 TYR HA H 33 3.745 3.745 4.011 -0.266 25663 183 1 1 . 1 1 33 33 TYR C C 33 176.176 176.176 176.987 -0.811 25663 184 1 1 . 1 1 33 33 TYR CA C 33 62.320 62.320 63.144 -0.824 25663 185 1 1 . 1 1 33 33 TYR CB C 33 38.737 38.737 38.629 0.108 25663 186 1 1 . 1 1 33 33 TYR H H 33 8.623 8.623 8.923 -0.300 25663 187 1 1 . 1 1 34 34 LYS N N 34 116.509 116.509 118.272 -1.763 25663 188 1 1 . 1 1 34 34 LYS HA H 34 3.905 3.905 3.819 0.086 25663 189 1 1 . 1 1 34 34 LYS C C 34 180.207 180.207 179.206 1.001 25663 190 1 1 . 1 1 34 34 LYS CA C 34 59.854 59.854 59.833 0.021 25663 191 1 1 . 1 1 34 34 LYS CB C 34 32.743 32.743 31.970 0.773 25663 192 1 1 . 1 1 34 34 LYS H H 34 8.284 8.284 8.300 -0.016 25663 193 1 1 . 1 1 35 35 GLN N N 35 119.270 119.270 118.330 0.940 25663 194 1 1 . 1 1 35 35 GLN HA H 35 3.822 3.822 3.945 -0.123 25663 195 1 1 . 1 1 35 35 GLN C C 35 179.050 179.050 178.691 0.359 25663 196 1 1 . 1 1 35 35 GLN CA C 35 58.402 58.402 58.391 0.011 25663 197 1 1 . 1 1 35 35 GLN CB C 35 26.715 26.715 28.668 -1.952 25663 198 1 1 . 1 1 35 35 GLN H H 35 7.747 7.747 7.485 0.262 25663 199 1 1 . 1 1 36 36 LEU N N 36 122.992 122.992 120.516 2.476 25663 200 1 1 . 1 1 36 36 LEU HA H 36 3.891 3.891 3.732 0.159 25663 201 1 1 . 1 1 36 36 LEU C C 36 177.812 177.812 178.544 -0.732 25663 202 1 1 . 1 1 36 36 LEU CA C 36 58.166 58.166 57.667 0.499 25663 203 1 1 . 1 1 36 36 LEU CB C 36 41.981 41.981 41.695 0.286 25663 204 1 1 . 1 1 36 36 LEU H H 36 8.473 8.473 8.458 0.015 25663 205 1 1 . 1 1 37 37 GLU N N 37 120.512 120.512 119.334 1.178 25663 206 1 1 . 1 1 37 37 GLU HA H 37 4.244 4.244 3.582 0.662 25663 207 1 1 . 1 1 37 37 GLU C C 37 177.984 177.984 178.429 -0.445 25663 208 1 1 . 1 1 37 37 GLU CA C 37 58.018 58.018 59.464 -1.446 25663 209 1 1 . 1 1 37 37 GLU CB C 37 28.236 28.236 29.362 -1.126 25663 210 1 1 . 1 1 37 37 GLU H H 37 8.526 8.526 8.350 0.176 25663 211 1 1 . 1 1 38 38 ALA N N 38 121.256 121.256 119.871 1.385 25663 212 1 1 . 1 1 38 38 ALA HA H 38 3.995 3.995 4.023 -0.028 25663 213 1 1 . 1 1 38 38 ALA C C 38 180.513 180.513 179.068 1.445 25663 214 1 1 . 1 1 38 38 ALA CA C 38 54.968 54.968 54.596 0.372 25663 215 1 1 . 1 1 38 38 ALA CB C 38 17.792 17.792 18.197 -0.405 25663 216 1 1 . 1 1 38 38 ALA H H 38 7.806 7.806 7.450 0.356 25663 217 1 1 . 1 1 39 39 ALA N N 39 120.185 120.185 119.404 0.781 25663 218 1 1 . 1 1 39 39 ALA HA H 39 4.164 4.164 4.168 -0.004 25663 219 1 1 . 1 1 39 39 ALA C C 39 180.063 180.063 180.042 0.021 25663 220 1 1 . 1 1 39 39 ALA CA C 39 54.064 54.064 54.168 -0.104 25663 221 1 1 . 1 1 39 39 ALA CB C 39 17.883 17.883 18.289 -0.406 25663 222 1 1 . 1 1 39 39 ALA H H 39 7.495 7.495 7.465 0.030 25663 223 1 1 . 1 1 40 40 ARG N N 40 124.604 124.604 119.181 5.423 25663 224 1 1 . 1 1 40 40 ARG HA H 40 4.658 4.658 4.368 0.290 25663 225 1 1 . 1 1 40 40 ARG C C 40 180.610 180.610 179.075 1.535 25663 226 1 1 . 1 1 40 40 ARG CA C 40 58.559 58.559 58.289 0.270 25663 227 1 1 . 1 1 40 40 ARG CB C 40 30.707 30.707 29.507 1.200 25663 228 1 1 . 1 1 40 40 ARG H H 40 8.789 8.789 7.715 1.074 25663 229 1 1 . 1 1 41 41 LYS N N 41 117.810 117.810 119.242 -1.432 25663 230 1 1 . 1 1 41 41 LYS HA H 41 3.925 3.925 4.203 -0.278 25663 231 1 1 . 1 1 41 41 LYS C C 41 178.134 178.134 177.602 0.532 25663 232 1 1 . 1 1 41 41 LYS CA C 41 59.409 59.409 58.486 0.923 25663 233 1 1 . 1 1 41 41 LYS CB C 41 32.786 32.786 32.109 0.677 25663 234 1 1 . 1 1 41 41 LYS H H 41 8.267 8.267 7.567 0.700 25663 235 1 1 . 1 1 42 42 ILE N N 42 110.889 110.889 117.508 -6.619 25663 236 1 1 . 1 1 42 42 ILE HA H 42 4.581 4.581 4.248 0.333 25663 237 1 1 . 1 1 42 42 ILE C C 42 176.527 176.527 176.263 0.264 25663 238 1 1 . 1 1 42 42 ILE CA C 42 60.751 60.751 60.836 -0.085 25663 239 1 1 . 1 1 42 42 ILE CB C 42 37.739 37.739 38.235 -0.496 25663 240 1 1 . 1 1 42 42 ILE H H 42 7.263 7.263 7.851 -0.588 25663 241 1 1 . 1 1 43 43 GLY N N 43 108.366 108.366 108.383 -0.017 25663 242 1 1 . 1 1 43 43 GLY C C 43 173.880 173.880 174.446 -0.566 25663 243 1 1 . 1 1 43 43 GLY CA C 43 45.585 45.585 45.122 0.463 25663 244 1 1 . 1 1 43 43 GLY H H 43 7.816 7.816 7.698 0.118 25663 245 1 1 . 1 1 44 44 PHE N N 44 125.650 125.650 122.379 3.271 25663 246 1 1 . 1 1 44 44 PHE HA H 44 4.510 4.510 4.444 0.066 25663 247 1 1 . 1 1 44 44 PHE C C 44 171.183 171.183 174.056 -2.873 25663 248 1 1 . 1 1 44 44 PHE CA C 44 59.012 59.012 58.884 0.128 25663 249 1 1 . 1 1 44 44 PHE CB C 44 39.986 39.986 40.057 -0.071 25663 250 1 1 . 1 1 44 44 PHE H H 44 8.003 8.003 7.521 0.482 25663 251 1 1 . 1 1 45 45 HIS N N 45 126.999 126.999 126.995 0.004 25663 252 1 1 . 1 1 45 45 HIS HA H 45 4.728 4.728 4.697 0.031 25663 253 1 1 . 1 1 45 45 HIS C C 45 175.134 175.134 173.464 1.670 25663 254 1 1 . 1 1 45 45 HIS CA C 45 55.539 55.539 55.249 0.290 25663 255 1 1 . 1 1 45 45 HIS CB C 45 34.586 34.586 32.008 2.578 25663 256 1 1 . 1 1 45 45 HIS H H 45 7.326 7.326 8.163 -0.837 25663 257 1 1 . 1 1 46 46 VAL N N 46 126.425 126.425 123.311 3.114 25663 258 1 1 . 1 1 46 46 VAL HA H 46 3.665 3.665 4.073 -0.408 25663 259 1 1 . 1 1 46 46 VAL CA C 46 61.647 61.647 60.931 0.716 25663 260 1 1 . 1 1 46 46 VAL CB C 46 35.141 35.141 33.536 1.605 25663 261 1 1 . 1 1 46 46 VAL H H 46 8.147 8.147 7.654 0.493 25663 262 1 1 . 1 1 47 47 CYS N N 47 127.308 127.308 128.601 -1.293 25663 263 1 1 . 1 1 47 47 CYS HA H 47 4.470 4.470 4.600 -0.130 25663 264 1 1 . 1 1 47 47 CYS C C 47 172.533 172.533 174.307 -1.774 25663 265 1 1 . 1 1 47 47 CYS CA C 47 55.259 55.259 58.866 -3.607 25663 266 1 1 . 1 1 47 47 CYS CB C 47 44.867 44.867 24.753 20.114 25663 267 1 1 . 1 1 47 47 CYS H H 47 8.675 8.675 8.551 0.124 25663 268 1 1 . 1 1 48 48 ALA N N 48 120.376 120.376 128.328 -7.952 25663 269 1 1 . 1 1 48 48 ALA HA H 48 4.278 4.278 4.492 -0.214 25663 270 1 1 . 1 1 48 48 ALA C C 48 173.936 173.936 174.774 -0.838 25663 271 1 1 . 1 1 48 48 ALA CA C 48 51.286 51.286 52.236 -0.950 25663 272 1 1 . 1 1 48 48 ALA CB C 48 19.831 19.831 21.867 -2.036 25663 273 1 1 . 1 1 48 48 ALA H H 48 6.500 6.500 7.932 -1.432 25663 274 1 1 . 1 1 49 49 ALA N N 49 130.715 130.715 124.634 6.081 25663 275 1 1 . 1 1 49 49 ALA HA H 49 3.834 3.834 5.506 -1.672 25663 276 1 1 . 1 1 49 49 ALA C C 49 176.061 176.061 176.958 -0.897 25663 277 1 1 . 1 1 49 49 ALA CA C 49 53.466 53.466 50.647 2.819 25663 278 1 1 . 1 1 49 49 ALA CB C 49 18.332 18.332 20.533 -2.201 25663 279 1 1 . 1 1 49 49 ALA H H 49 8.424 8.424 8.583 -0.159 25663 280 1 1 . 1 1 50 50 GLY N N 50 107.085 107.085 110.527 -3.442 25663 281 1 1 . 1 1 50 50 GLY C C 50 170.793 170.793 172.692 -1.899 25663 282 1 1 . 1 1 50 50 GLY CA C 50 43.792 43.792 44.681 -0.888 25663 283 1 1 . 1 1 50 50 GLY H H 50 8.746 8.746 7.961 0.785 25663 284 1 1 . 1 1 51 51 TRP N N 51 121.565 121.565 123.077 -1.512 25663 285 1 1 . 1 1 51 51 TRP HA H 51 4.960 4.960 4.743 0.217 25663 286 1 1 . 1 1 51 51 TRP C C 51 174.095 174.095 175.863 -1.768 25663 287 1 1 . 1 1 51 51 TRP CA C 51 58.852 58.852 58.763 0.089 25663 288 1 1 . 1 1 51 51 TRP CB C 51 32.034 32.034 30.869 1.165 25663 289 1 1 . 1 1 51 51 TRP H H 51 8.596 8.596 8.103 0.493 25663 290 1 1 . 1 1 52 52 MET N N 52 118.713 118.713 116.801 1.912 25663 291 1 1 . 1 1 52 52 MET HA H 52 4.945 4.945 5.024 -0.079 25663 292 1 1 . 1 1 52 52 MET C C 52 174.575 174.575 175.245 -0.670 25663 293 1 1 . 1 1 52 52 MET CA C 52 54.277 54.277 54.179 0.098 25663 294 1 1 . 1 1 52 52 MET CB C 52 39.146 39.146 37.947 1.199 25663 295 1 1 . 1 1 52 52 MET H H 52 9.116 9.116 8.933 0.183 25663 296 1 1 . 1 1 53 53 ALA N N 53 120.116 120.116 121.052 -0.936 25663 297 1 1 . 1 1 53 53 ALA HA H 53 4.186 4.186 4.310 -0.124 25663 298 1 1 . 1 1 53 53 ALA C C 53 178.250 178.250 178.338 -0.088 25663 299 1 1 . 1 1 53 53 ALA CA C 53 53.791 53.791 53.764 0.027 25663 300 1 1 . 1 1 53 53 ALA CB C 53 19.462 19.462 19.081 0.381 25663 301 1 1 . 1 1 53 53 ALA H H 53 8.517 8.517 8.802 -0.285 25663 302 1 1 . 1 1 54 54 LYS N N 54 112.641 112.641 120.496 -7.855 25663 303 1 1 . 1 1 54 54 LYS HA H 54 3.857 3.857 3.879 -0.022 25663 304 1 1 . 1 1 54 54 LYS C C 54 175.913 175.913 176.566 -0.653 25663 305 1 1 . 1 1 54 54 LYS CA C 54 57.608 57.608 57.213 0.395 25663 306 1 1 . 1 1 54 54 LYS CB C 54 29.796 29.796 30.136 -0.340 25663 307 1 1 . 1 1 54 54 LYS H H 54 8.866 8.866 9.049 -0.183 25663 308 1 1 . 1 1 55 55 GLY N N 55 104.227 104.227 104.345 -0.118 25663 309 1 1 . 1 1 55 55 GLY C C 55 173.820 173.820 174.058 -0.238 25663 310 1 1 . 1 1 55 55 GLY CA C 55 45.933 45.933 45.421 0.512 25663 311 1 1 . 1 1 55 55 GLY H H 55 8.239 8.239 7.885 0.354 25663 312 1 1 . 1 1 56 56 ARG N N 56 122.045 122.045 119.708 2.337 25663 313 1 1 . 1 1 56 56 ARG HA H 56 4.771 4.771 4.275 0.496 25663 314 1 1 . 1 1 56 56 ARG C C 56 173.828 173.828 174.533 -0.705 25663 315 1 1 . 1 1 56 56 ARG CA C 56 55.010 55.010 57.180 -2.170 25663 316 1 1 . 1 1 56 56 ARG CB C 56 31.939 31.939 31.736 0.203 25663 317 1 1 . 1 1 56 56 ARG H H 56 6.825 6.825 7.784 -0.959 25663 318 1 1 . 1 1 57 57 VAL N N 57 122.581 122.581 121.881 0.700 25663 319 1 1 . 1 1 57 57 VAL HA H 57 4.632 4.632 4.982 -0.350 25663 320 1 1 . 1 1 57 57 VAL C C 57 173.775 173.775 173.959 -0.184 25663 321 1 1 . 1 1 57 57 VAL CA C 57 59.946 59.946 60.012 -0.066 25663 322 1 1 . 1 1 57 57 VAL CB C 57 35.191 35.191 35.749 -0.558 25663 323 1 1 . 1 1 57 57 VAL H H 57 7.084 7.084 8.160 -1.076 25663 324 1 1 . 1 1 58 58 GLY N N 58 112.994 112.994 113.307 -0.313 25663 325 1 1 . 1 1 58 58 GLY C C 58 171.431 171.431 171.912 -0.481 25663 326 1 1 . 1 1 58 58 GLY CA C 58 46.285 46.285 45.593 0.692 25663 327 1 1 . 1 1 58 58 GLY H H 58 8.112 8.112 7.674 0.438 25663 328 1 1 . 1 1 59 59 TYR N N 59 111.540 111.540 115.897 -4.357 25663 329 1 1 . 1 1 59 59 TYR HA H 59 4.337 4.337 5.409 -1.072 25663 330 1 1 . 1 1 59 59 TYR CA C 59 55.972 55.972 53.747 2.225 25663 331 1 1 . 1 1 59 59 TYR CB C 59 34.363 34.363 38.174 -3.811 25663 332 1 1 . 1 1 59 59 TYR H H 59 7.796 7.796 8.238 -0.442 25663 333 1 1 . 1 1 60 60 PRO HA H 60 4.497 4.497 4.380 0.117 25663 334 1 1 . 1 1 60 60 PRO CA C 60 62.231 62.231 63.220 -0.989 25663 335 1 1 . 1 1 60 60 PRO CB C 60 33.314 33.314 32.444 0.869 25663 336 1 1 . 1 1 61 61 ILE HA H 61 4.444 4.444 4.479 -0.035 25663 337 1 1 . 1 1 61 61 ILE CA C 61 56.601 56.601 59.754 -3.152 25663 338 1 1 . 1 1 61 61 ILE CB C 61 38.417 38.417 41.916 -3.499 25663 339 1 1 . 1 1 62 62 VAL HA H 62 3.935 3.935 3.822 0.113 25663 340 1 1 . 1 1 62 62 VAL CA C 62 64.377 64.377 66.016 -1.639 25663 341 1 1 . 1 1 62 62 VAL CB C 62 34.087 34.087 31.674 2.413 25663 342 1 1 . 1 1 62 62 VAL H H 62 11.229 11.229 9.210 2.019 25663 343 1 1 . 1 1 63 63 LYS N N 63 122.578 122.578 114.188 8.390 25663 344 1 1 . 1 1 63 63 LYS HA H 63 4.753 4.753 4.513 0.240 25663 345 1 1 . 1 1 63 63 LYS CA C 63 52.473 52.473 56.803 -4.330 25663 346 1 1 . 1 1 63 63 LYS CB C 63 32.983 32.983 32.366 0.617 25663 347 1 1 . 1 1 63 63 LYS H H 63 7.501 7.501 7.906 -0.405 25663 348 1 1 . 1 1 64 64 PRO HA H 64 4.362 4.362 4.373 -0.011 25663 349 1 1 . 1 1 64 64 PRO CA C 64 63.124 63.124 63.869 -0.745 25663 350 1 1 . 1 1 64 64 PRO CB C 64 32.121 32.121 31.878 0.243 25663 351 1 1 . 1 1 65 65 GLY CA C 65 45.512 45.512 45.265 0.247 25663 352 1 1 . 1 1 65 65 GLY H H 65 8.377 8.377 8.232 0.145 25663 353 1 1 . 1 1 66 66 PRO HA H 66 4.010 4.010 4.328 -0.318 25663 354 1 1 . 1 1 66 66 PRO C C 66 177.072 177.072 177.686 -0.614 25663 355 1 1 . 1 1 66 66 PRO CA C 66 64.765 64.765 64.458 0.307 25663 356 1 1 . 1 1 66 66 PRO CB C 66 32.121 32.121 32.272 -0.151 25663 357 1 1 . 1 1 67 67 ASN N N 67 114.419 114.419 117.141 -2.722 25663 358 1 1 . 1 1 67 67 ASN HA H 67 4.995 4.995 4.591 0.404 25663 359 1 1 . 1 1 67 67 ASN C C 67 173.872 173.872 175.521 -1.649 25663 360 1 1 . 1 1 67 67 ASN CA C 67 52.349 52.349 54.321 -1.972 25663 361 1 1 . 1 1 67 67 ASN CB C 67 38.955 38.955 38.715 0.240 25663 362 1 1 . 1 1 67 67 ASN H H 67 8.330 8.330 8.451 -0.121 25663 363 1 1 . 1 1 68 68 CYS N N 68 118.995 118.995 118.589 0.406 25663 364 1 1 . 1 1 68 68 CYS HA H 68 5.034 5.034 4.485 0.549 25663 365 1 1 . 1 1 68 68 CYS CA C 68 54.247 54.247 58.468 -4.221 25663 366 1 1 . 1 1 68 68 CYS CB C 68 44.260 44.260 26.897 17.363 25663 367 1 1 . 1 1 68 68 CYS H H 68 7.327 7.327 7.962 -0.635 25663 368 1 1 . 1 1 70 70 PHE HA H 70 4.305 4.305 4.631 -0.326 25663 369 1 1 . 1 1 70 70 PHE CA C 70 58.889 58.889 57.322 1.567 25663 370 1 1 . 1 1 70 70 PHE CB C 70 36.557 36.557 40.264 -3.707 25663 371 1 1 . 1 1 71 71 GLY N N 71 105.368 105.368 115.656 -10.288 25663 372 1 1 . 1 1 71 71 GLY CA C 71 46.043 46.043 44.877 1.166 25663 373 1 1 . 1 1 71 71 GLY H H 71 7.339 7.339 8.385 -1.046 25663 374 1 1 . 1 1 72 72 LYS N N 72 120.404 120.404 119.161 1.243 25663 375 1 1 . 1 1 72 72 LYS HA H 72 4.264 4.264 4.048 0.216 25663 376 1 1 . 1 1 72 72 LYS C C 72 175.440 175.440 174.551 0.889 25663 377 1 1 . 1 1 72 72 LYS CA C 72 56.413 56.413 57.607 -1.194 25663 378 1 1 . 1 1 72 72 LYS CB C 72 33.686 33.686 32.801 0.885 25663 379 1 1 . 1 1 72 72 LYS H H 72 6.946 6.946 8.409 -1.463 25663 380 1 1 . 1 1 73 73 THR N N 73 110.334 110.334 111.472 -1.138 25663 381 1 1 . 1 1 73 73 THR HA H 73 4.233 4.233 4.620 -0.387 25663 382 1 1 . 1 1 73 73 THR C C 73 173.774 173.774 173.776 -0.002 25663 383 1 1 . 1 1 73 73 THR CA C 73 60.879 60.879 60.766 0.113 25663 384 1 1 . 1 1 73 73 THR CB C 73 70.841 70.841 71.251 -0.410 25663 385 1 1 . 1 1 73 73 THR H H 73 7.911 7.911 8.180 -0.269 25663 386 1 1 . 1 1 74 74 GLY N N 74 109.589 109.589 110.357 -0.768 25663 387 1 1 . 1 1 74 74 GLY C C 74 172.715 172.715 174.383 -1.668 25663 388 1 1 . 1 1 74 74 GLY CA C 74 43.404 43.404 44.604 -1.200 25663 389 1 1 . 1 1 74 74 GLY H H 74 7.904 7.904 7.923 -0.019 25663 390 1 1 . 1 1 75 75 ILE N N 75 120.787 120.787 120.720 0.067 25663 391 1 1 . 1 1 75 75 ILE HA H 75 4.221 4.221 3.663 0.558 25663 392 1 1 . 1 1 75 75 ILE C C 75 176.249 176.249 175.695 0.554 25663 393 1 1 . 1 1 75 75 ILE CA C 75 59.422 59.422 62.554 -3.132 25663 394 1 1 . 1 1 75 75 ILE CB C 75 36.008 36.008 38.618 -2.610 25663 395 1 1 . 1 1 75 75 ILE H H 75 8.265 8.265 8.093 0.172 25663 396 1 1 . 1 1 76 76 ILE N N 76 134.542 134.542 120.739 13.803 25663 397 1 1 . 1 1 76 76 ILE HA H 76 3.587 3.587 4.120 -0.533 25663 398 1 1 . 1 1 76 76 ILE C C 76 173.769 173.769 174.071 -0.302 25663 399 1 1 . 1 1 76 76 ILE CA C 76 59.599 59.599 59.689 -0.090 25663 400 1 1 . 1 1 76 76 ILE CB C 76 33.139 33.139 37.416 -4.277 25663 401 1 1 . 1 1 76 76 ILE H H 76 8.660 8.660 7.600 1.060 25663 402 1 1 . 1 1 77 77 ASP N N 77 126.213 126.213 119.661 6.552 25663 403 1 1 . 1 1 77 77 ASP HA H 77 4.790 4.790 4.475 0.315 25663 404 1 1 . 1 1 77 77 ASP C C 77 176.390 176.390 175.774 0.616 25663 405 1 1 . 1 1 77 77 ASP CA C 77 52.927 52.927 54.068 -1.141 25663 406 1 1 . 1 1 77 77 ASP CB C 77 44.224 44.224 40.933 3.291 25663 407 1 1 . 1 1 77 77 ASP H H 77 7.925 7.925 7.945 -0.020 25663 408 1 1 . 1 1 78 78 TYR N N 78 126.424 126.424 120.320 6.104 25663 409 1 1 . 1 1 78 78 TYR HA H 78 4.780 4.780 4.534 0.246 25663 410 1 1 . 1 1 78 78 TYR C C 78 177.025 177.025 176.532 0.493 25663 411 1 1 . 1 1 78 78 TYR CA C 78 54.257 54.257 57.670 -3.413 25663 412 1 1 . 1 1 78 78 TYR CB C 78 36.513 36.513 38.824 -2.311 25663 413 1 1 . 1 1 78 78 TYR H H 78 9.313 9.313 8.598 0.715 25663 414 1 1 . 1 1 79 79 GLY N N 79 110.776 110.776 108.866 1.910 25663 415 1 1 . 1 1 79 79 GLY C C 79 172.389 172.389 174.382 -1.993 25663 416 1 1 . 1 1 79 79 GLY CA C 79 44.317 44.317 44.820 -0.503 25663 417 1 1 . 1 1 79 79 GLY H H 79 8.880 8.880 8.019 0.861 25663 418 1 1 . 1 1 80 80 ILE N N 80 117.437 117.437 117.722 -0.285 25663 419 1 1 . 1 1 80 80 ILE HA H 80 3.897 3.897 3.634 0.263 25663 420 1 1 . 1 1 80 80 ILE C C 80 177.495 177.495 175.515 1.980 25663 421 1 1 . 1 1 80 80 ILE CA C 80 61.293 61.293 62.364 -1.071 25663 422 1 1 . 1 1 80 80 ILE CB C 80 36.412 36.412 37.019 -0.607 25663 423 1 1 . 1 1 80 80 ILE H H 80 8.189 8.189 8.368 -0.179 25663 424 1 1 . 1 1 81 81 ARG N N 81 128.585 128.585 126.230 2.355 25663 425 1 1 . 1 1 81 81 ARG HA H 81 4.367 4.367 4.574 -0.207 25663 426 1 1 . 1 1 81 81 ARG CA C 81 52.745 52.745 54.810 -2.065 25663 427 1 1 . 1 1 81 81 ARG CB C 81 27.133 27.133 31.750 -4.617 25663 428 1 1 . 1 1 81 81 ARG H H 81 8.367 8.367 8.342 0.025 25663 429 1 1 . 1 1 82 82 LEU HA H 82 4.145 4.145 4.330 -0.185 25663 430 1 1 . 1 1 82 82 LEU C C 82 177.546 177.546 177.519 0.027 25663 431 1 1 . 1 1 82 82 LEU CA C 82 56.857 56.857 55.735 1.122 25663 432 1 1 . 1 1 82 82 LEU CB C 82 42.266 42.266 41.577 0.689 25663 433 1 1 . 1 1 82 82 LEU H H 82 8.226 8.226 8.594 -0.368 25663 434 1 1 . 1 1 83 83 ASN N N 83 115.779 115.779 117.997 -2.218 25663 435 1 1 . 1 1 83 83 ASN HA H 83 4.913 4.913 4.750 0.163 25663 436 1 1 . 1 1 83 83 ASN C C 83 175.764 175.764 176.884 -1.120 25663 437 1 1 . 1 1 83 83 ASN CA C 83 51.627 51.627 53.137 -1.510 25663 438 1 1 . 1 1 83 83 ASN CB C 83 37.505 37.505 37.096 0.409 25663 439 1 1 . 1 1 83 83 ASN H H 83 8.628 8.628 8.516 0.112 25663 440 1 1 . 1 1 84 84 ARG N N 84 121.554 121.554 118.516 3.038 25663 441 1 1 . 1 1 84 84 ARG HA H 84 4.637 4.637 3.424 1.213 25663 442 1 1 . 1 1 84 84 ARG C C 84 177.197 177.197 176.633 0.564 25663 443 1 1 . 1 1 84 84 ARG CA C 84 56.695 56.695 58.349 -1.654 25663 444 1 1 . 1 1 84 84 ARG CB C 84 29.361 29.361 29.358 0.003 25663 445 1 1 . 1 1 84 84 ARG H H 84 8.593 8.593 8.003 0.590 25663 446 1 1 . 1 1 85 85 SER N N 85 116.623 116.623 112.375 4.248 25663 447 1 1 . 1 1 85 85 SER HA H 85 4.628 4.628 4.569 0.059 25663 448 1 1 . 1 1 85 85 SER C C 85 174.403 174.403 174.559 -0.156 25663 449 1 1 . 1 1 85 85 SER CA C 85 58.827 58.827 58.375 0.452 25663 450 1 1 . 1 1 85 85 SER CB C 85 62.996 62.996 63.883 -0.887 25663 451 1 1 . 1 1 85 85 SER H H 85 8.567 8.567 8.060 0.507 25663 452 1 1 . 1 1 86 86 GLU N N 86 121.171 121.171 122.007 -0.836 25663 453 1 1 . 1 1 86 86 GLU HA H 86 3.864 3.864 4.458 -0.594 25663 454 1 1 . 1 1 86 86 GLU C C 86 174.422 174.422 175.673 -1.251 25663 455 1 1 . 1 1 86 86 GLU CA C 86 57.520 57.520 56.806 0.714 25663 456 1 1 . 1 1 86 86 GLU CB C 86 31.292 31.292 30.766 0.526 25663 457 1 1 . 1 1 86 86 GLU H H 86 7.219 7.219 8.297 -1.078 25663 458 1 1 . 1 1 87 87 ARG N N 87 118.124 118.124 120.770 -2.646 25663 459 1 1 . 1 1 87 87 ARG HA H 87 4.687 4.687 4.547 0.140 25663 460 1 1 . 1 1 87 87 ARG C C 87 173.408 173.408 175.603 -2.195 25663 461 1 1 . 1 1 87 87 ARG CA C 87 54.387 54.387 56.776 -2.389 25663 462 1 1 . 1 1 87 87 ARG CB C 87 31.544 31.544 31.212 0.332 25663 463 1 1 . 1 1 87 87 ARG H H 87 7.263 7.263 8.700 -1.437 25663 464 1 1 . 1 1 88 88 TRP N N 88 121.383 121.383 123.382 -1.999 25663 465 1 1 . 1 1 88 88 TRP HA H 88 4.899 4.899 4.832 0.067 25663 466 1 1 . 1 1 88 88 TRP CA C 88 54.508 54.508 57.077 -2.569 25663 467 1 1 . 1 1 88 88 TRP CB C 88 33.610 33.610 31.985 1.625 25663 468 1 1 . 1 1 88 88 TRP H H 88 8.811 8.811 8.587 0.224 25663 469 1 1 . 1 1 89 89 ASP N N 89 119.285 119.285 119.517 -0.232 25663 470 1 1 . 1 1 89 89 ASP HA H 89 5.602 5.602 4.804 0.798 25663 471 1 1 . 1 1 89 89 ASP C C 89 173.648 173.648 175.202 -1.554 25663 472 1 1 . 1 1 89 89 ASP CA C 89 54.558 54.558 53.929 0.628 25663 473 1 1 . 1 1 89 89 ASP CB C 89 40.438 40.438 42.478 -2.040 25663 474 1 1 . 1 1 89 89 ASP H H 89 8.552 8.552 8.481 0.071 25663 475 1 1 . 1 1 90 90 ALA N N 90 121.014 121.014 118.426 2.588 25663 476 1 1 . 1 1 90 90 ALA HA H 90 5.095 5.095 4.815 0.280 25663 477 1 1 . 1 1 90 90 ALA C C 90 175.076 175.076 174.849 0.227 25663 478 1 1 . 1 1 90 90 ALA CA C 90 52.089 52.089 51.741 0.348 25663 479 1 1 . 1 1 90 90 ALA CB C 90 23.118 23.118 21.827 1.291 25663 480 1 1 . 1 1 90 90 ALA H H 90 8.449 8.449 7.786 0.663 25663 481 1 1 . 1 1 91 91 TYR N N 91 118.243 118.243 118.597 -0.354 25663 482 1 1 . 1 1 91 91 TYR HA H 91 5.072 5.072 4.990 0.082 25663 483 1 1 . 1 1 91 91 TYR C C 91 174.671 174.671 175.265 -0.594 25663 484 1 1 . 1 1 91 91 TYR CA C 91 58.787 58.787 57.731 1.056 25663 485 1 1 . 1 1 91 91 TYR CB C 91 40.686 40.686 42.178 -1.492 25663 486 1 1 . 1 1 91 91 TYR H H 91 8.421 8.421 7.894 0.527 25663 487 1 1 . 1 1 92 92 CYS N N 92 119.931 119.931 118.661 1.270 25663 488 1 1 . 1 1 92 92 CYS HA H 92 5.263 5.263 5.114 0.149 25663 489 1 1 . 1 1 92 92 CYS C C 92 172.698 172.698 172.451 0.247 25663 490 1 1 . 1 1 92 92 CYS CA C 92 50.601 50.601 57.992 -7.391 25663 491 1 1 . 1 1 92 92 CYS CB C 92 37.818 37.818 31.890 5.928 25663 492 1 1 . 1 1 92 92 CYS H H 92 8.459 8.459 8.855 -0.396 25663 493 1 1 . 1 1 93 93 TYR N N 93 120.805 120.805 119.657 1.148 25663 494 1 1 . 1 1 93 93 TYR HA H 93 4.903 4.903 4.693 0.210 25663 495 1 1 . 1 1 93 93 TYR C C 93 173.902 173.902 172.851 1.051 25663 496 1 1 . 1 1 93 93 TYR CA C 93 57.096 57.096 58.563 -1.467 25663 497 1 1 . 1 1 93 93 TYR CB C 93 41.665 41.665 42.265 -0.600 25663 498 1 1 . 1 1 93 93 TYR H H 93 9.410 9.410 8.655 0.755 25663 499 1 1 . 1 1 94 94 ASN N N 94 124.511 124.511 121.984 2.527 25663 500 1 1 . 1 1 94 94 ASN HA H 94 4.774 4.774 5.058 -0.284 25663 501 1 1 . 1 1 94 94 ASN CA C 94 49.599 49.599 51.557 -1.958 25663 502 1 1 . 1 1 94 94 ASN CB C 94 41.642 41.642 41.590 0.052 25663 503 1 1 . 1 1 94 94 ASN H H 94 7.832 7.832 8.026 -0.194 25663 504 1 1 . 1 1 95 95 PRO HA H 95 4.141 4.141 4.501 -0.360 25663 505 1 1 . 1 1 95 95 PRO C C 95 176.345 176.345 176.499 -0.154 25663 506 1 1 . 1 1 95 95 PRO CA C 95 63.800 63.800 63.750 0.050 25663 507 1 1 . 1 1 95 95 PRO CB C 95 32.046 32.046 32.017 0.029 25663 508 1 1 . 1 1 96 96 HIS N N 96 116.009 116.009 116.455 -0.446 25663 509 1 1 . 1 1 96 96 HIS HA H 96 4.623 4.623 4.334 0.289 25663 510 1 1 . 1 1 96 96 HIS C C 96 173.999 173.999 174.338 -0.339 25663 511 1 1 . 1 1 96 96 HIS CA C 96 55.046 55.046 56.147 -1.101 25663 512 1 1 . 1 1 96 96 HIS CB C 96 28.821 28.821 29.164 -0.343 25663 513 1 1 . 1 1 96 96 HIS H H 96 8.354 8.354 8.413 -0.059 25663 514 1 1 . 1 1 97 97 ALA N N 97 123.775 123.775 121.373 2.402 25663 515 1 1 . 1 1 97 97 ALA HA H 97 4.269 4.269 4.287 -0.018 25663 516 1 1 . 1 1 97 97 ALA C C 97 176.350 176.350 175.542 0.808 25663 517 1 1 . 1 1 97 97 ALA CA C 97 51.796 51.796 51.602 0.194 25663 518 1 1 . 1 1 97 97 ALA CB C 97 19.648 19.648 21.046 -1.398 25663 519 1 1 . 1 1 97 97 ALA H H 97 7.387 7.387 6.529 0.858 25663 520 1 2 . 1 1 2 2 VAL N N 2 122.742 122.742 119.977 2.765 25663 521 1 2 . 1 1 2 2 VAL HA H 2 5.257 5.257 3.861 1.396 25663 522 1 2 . 1 1 2 2 VAL C C 2 174.533 174.533 173.954 0.579 25663 523 1 2 . 1 1 2 2 VAL CA C 2 60.536 60.536 60.787 -0.251 25663 524 1 2 . 1 1 2 2 VAL CB C 2 33.278 33.278 34.875 -1.597 25663 525 1 2 . 1 1 2 2 VAL H H 2 8.486 8.486 8.072 0.414 25663 526 1 2 . 1 1 3 3 TYR N N 3 120.172 120.172 122.946 -2.774 25663 527 1 2 . 1 1 3 3 TYR HA H 3 4.964 4.964 5.112 -0.148 25663 528 1 2 . 1 1 3 3 TYR C C 3 173.399 173.399 174.297 -0.898 25663 529 1 2 . 1 1 3 3 TYR CA C 3 56.073 56.073 54.472 1.601 25663 530 1 2 . 1 1 3 3 TYR CB C 3 40.278 40.278 39.919 0.359 25663 531 1 2 . 1 1 3 3 TYR H H 3 8.715 8.715 7.457 1.258 25663 532 1 2 . 1 1 4 4 HIS N N 4 121.237 121.237 118.005 3.232 25663 533 1 2 . 1 1 4 4 HIS HA H 4 4.929 4.929 4.927 0.002 25663 534 1 2 . 1 1 4 4 HIS C C 4 172.844 172.844 174.948 -2.104 25663 535 1 2 . 1 1 4 4 HIS CA C 4 54.154 54.154 55.579 -1.425 25663 536 1 2 . 1 1 4 4 HIS CB C 4 30.961 30.961 30.786 0.175 25663 537 1 2 . 1 1 4 4 HIS H H 4 9.414 9.414 8.594 0.820 25663 538 1 2 . 1 1 5 5 ARG N N 5 128.770 128.770 122.469 6.301 25663 539 1 2 . 1 1 5 5 ARG HA H 5 4.619 4.619 4.568 0.051 25663 540 1 2 . 1 1 5 5 ARG C C 5 172.967 172.967 174.492 -1.525 25663 541 1 2 . 1 1 5 5 ARG CA C 5 53.177 53.177 54.190 -1.012 25663 542 1 2 . 1 1 5 5 ARG CB C 5 33.832 33.832 32.186 1.646 25663 543 1 2 . 1 1 5 5 ARG H H 5 8.805 8.805 9.174 -0.369 25663 544 1 2 . 1 1 6 6 GLU N N 6 121.037 121.037 119.607 1.430 25663 545 1 2 . 1 1 6 6 GLU HA H 6 4.490 4.490 4.557 -0.067 25663 546 1 2 . 1 1 6 6 GLU C C 6 176.264 176.264 175.239 1.025 25663 547 1 2 . 1 1 6 6 GLU CA C 6 53.336 53.336 55.551 -2.216 25663 548 1 2 . 1 1 6 6 GLU CB C 6 33.133 33.133 31.667 1.466 25663 549 1 2 . 1 1 6 6 GLU H H 6 8.232 8.232 8.477 -0.245 25663 550 1 2 . 1 1 7 7 ALA N N 7 123.438 123.438 127.856 -4.418 25663 551 1 2 . 1 1 7 7 ALA HA H 7 4.215 4.215 4.729 -0.514 25663 552 1 2 . 1 1 7 7 ALA C C 7 178.419 178.419 177.567 0.852 25663 553 1 2 . 1 1 7 7 ALA CA C 7 52.182 52.182 51.689 0.493 25663 554 1 2 . 1 1 7 7 ALA CB C 7 20.128 20.128 20.352 -0.224 25663 555 1 2 . 1 1 7 7 ALA H H 7 8.756 8.756 8.667 0.089 25663 556 1 2 . 1 1 8 8 ARG N N 8 122.559 122.559 119.012 3.547 25663 557 1 2 . 1 1 8 8 ARG HA H 8 3.998 3.998 4.132 -0.134 25663 558 1 2 . 1 1 8 8 ARG C C 8 177.448 177.448 177.288 0.160 25663 559 1 2 . 1 1 8 8 ARG CA C 8 58.660 58.660 58.202 0.458 25663 560 1 2 . 1 1 8 8 ARG CB C 8 29.406 29.406 30.139 -0.733 25663 561 1 2 . 1 1 8 8 ARG H H 8 8.945 8.945 8.637 0.308 25663 562 1 2 . 1 1 9 9 SER N N 9 107.309 107.309 112.176 -4.867 25663 563 1 2 . 1 1 9 9 SER HA H 9 4.261 4.261 4.420 -0.159 25663 564 1 2 . 1 1 9 9 SER C C 9 174.411 174.411 174.244 0.167 25663 565 1 2 . 1 1 9 9 SER CA C 9 58.081 58.081 58.954 -0.873 25663 566 1 2 . 1 1 9 9 SER CB C 9 62.972 62.972 63.845 -0.873 25663 567 1 2 . 1 1 9 9 SER H H 9 7.445 7.445 8.123 -0.678 25663 568 1 2 . 1 1 10 10 GLY N N 10 109.574 109.574 109.144 0.430 25663 569 1 2 . 1 1 10 10 GLY C C 10 171.580 171.580 172.547 -0.967 25663 570 1 2 . 1 1 10 10 GLY CA C 10 44.036 44.036 44.499 -0.464 25663 571 1 2 . 1 1 10 10 GLY H H 10 7.379 7.379 7.218 0.161 25663 572 1 2 . 1 1 11 11 LYS N N 11 121.683 121.683 121.543 0.140 25663 573 1 2 . 1 1 11 11 LYS HA H 11 3.993 3.993 4.529 -0.536 25663 574 1 2 . 1 1 11 11 LYS C C 11 175.995 175.995 176.263 -0.268 25663 575 1 2 . 1 1 11 11 LYS CA C 11 57.374 57.374 54.848 2.526 25663 576 1 2 . 1 1 11 11 LYS CB C 11 34.009 34.009 34.326 -0.317 25663 577 1 2 . 1 1 11 11 LYS H H 11 8.040 8.040 8.207 -0.167 25663 578 1 2 . 1 1 12 12 TYR N N 12 122.956 122.956 113.864 9.092 25663 579 1 2 . 1 1 12 12 TYR HA H 12 3.990 3.990 4.112 -0.122 25663 580 1 2 . 1 1 12 12 TYR C C 12 173.905 173.905 175.531 -1.626 25663 581 1 2 . 1 1 12 12 TYR CA C 12 54.397 54.397 60.057 -5.660 25663 582 1 2 . 1 1 12 12 TYR CB C 12 32.105 32.105 36.289 -4.184 25663 583 1 2 . 1 1 12 12 TYR H H 12 9.830 9.830 8.685 1.145 25663 584 1 2 . 1 1 13 13 LYS N N 13 114.683 114.683 117.148 -2.465 25663 585 1 2 . 1 1 13 13 LYS HA H 13 4.577 4.577 4.624 -0.047 25663 586 1 2 . 1 1 13 13 LYS C C 13 176.999 176.999 175.392 1.607 25663 587 1 2 . 1 1 13 13 LYS CA C 13 55.014 55.014 55.552 -0.538 25663 588 1 2 . 1 1 13 13 LYS CB C 13 35.021 35.021 33.271 1.750 25663 589 1 2 . 1 1 13 13 LYS H H 13 8.445 8.445 8.068 0.377 25663 590 1 2 . 1 1 14 14 LEU N N 14 123.176 123.176 122.081 1.095 25663 591 1 2 . 1 1 14 14 LEU HA H 14 5.122 5.122 4.706 0.416 25663 592 1 2 . 1 1 14 14 LEU C C 14 178.304 178.304 176.007 2.297 25663 593 1 2 . 1 1 14 14 LEU CA C 14 54.800 54.800 53.746 1.054 25663 594 1 2 . 1 1 14 14 LEU CB C 14 43.528 43.528 44.608 -1.080 25663 595 1 2 . 1 1 14 14 LEU H H 14 9.479 9.479 8.256 1.223 25663 596 1 2 . 1 1 15 15 THR N N 15 116.144 116.144 113.641 2.503 25663 597 1 2 . 1 1 15 15 THR HA H 15 5.485 5.485 4.533 0.952 25663 598 1 2 . 1 1 15 15 THR C C 15 174.697 174.697 175.188 -0.491 25663 599 1 2 . 1 1 15 15 THR CA C 15 61.722 61.722 59.599 2.123 25663 600 1 2 . 1 1 15 15 THR CB C 15 70.914 70.914 71.235 -0.321 25663 601 1 2 . 1 1 15 15 THR H H 15 8.792 8.792 8.224 0.568 25663 602 1 2 . 1 1 16 16 TYR N N 16 120.594 120.594 120.825 -0.231 25663 603 1 2 . 1 1 16 16 TYR HA H 16 2.375 2.375 3.715 -1.340 25663 604 1 2 . 1 1 16 16 TYR C C 16 176.133 176.133 177.094 -0.961 25663 605 1 2 . 1 1 16 16 TYR CA C 16 61.408 61.408 61.609 -0.201 25663 606 1 2 . 1 1 16 16 TYR CB C 16 36.889 36.889 36.117 0.772 25663 607 1 2 . 1 1 16 16 TYR H H 16 7.402 7.402 7.998 -0.596 25663 608 1 2 . 1 1 17 17 ALA N N 17 118.108 118.108 120.362 -2.254 25663 609 1 2 . 1 1 17 17 ALA HA H 17 3.509 3.509 3.795 -0.286 25663 610 1 2 . 1 1 17 17 ALA C C 17 181.575 181.575 179.637 1.938 25663 611 1 2 . 1 1 17 17 ALA CA C 17 54.732 54.732 54.503 0.229 25663 612 1 2 . 1 1 17 17 ALA CB C 17 18.124 18.124 17.664 0.460 25663 613 1 2 . 1 1 17 17 ALA H H 17 8.545 8.545 6.543 2.002 25663 614 1 2 . 1 1 18 18 GLU N N 18 117.696 117.696 118.196 -0.500 25663 615 1 2 . 1 1 18 18 GLU HA H 18 3.879 3.879 3.965 -0.086 25663 616 1 2 . 1 1 18 18 GLU C C 18 178.624 178.624 178.926 -0.302 25663 617 1 2 . 1 1 18 18 GLU CA C 18 58.432 58.432 58.619 -0.187 25663 618 1 2 . 1 1 18 18 GLU CB C 18 30.814 30.814 29.380 1.434 25663 619 1 2 . 1 1 18 18 GLU H H 18 7.327 7.327 7.198 0.129 25663 620 1 2 . 1 1 19 19 ALA N N 19 124.629 124.629 122.369 2.260 25663 621 1 2 . 1 1 19 19 ALA HA H 19 3.871 3.871 3.945 -0.074 25663 622 1 2 . 1 1 19 19 ALA C C 19 177.371 177.371 179.732 -2.361 25663 623 1 2 . 1 1 19 19 ALA CA C 19 54.955 54.955 55.258 -0.303 25663 624 1 2 . 1 1 19 19 ALA CB C 19 19.893 19.893 18.371 1.522 25663 625 1 2 . 1 1 19 19 ALA H H 19 8.744 8.744 8.610 0.134 25663 626 1 2 . 1 1 20 20 LYS N N 20 117.842 117.842 115.907 1.935 25663 627 1 2 . 1 1 20 20 LYS HA H 20 3.435 3.435 4.070 -0.635 25663 628 1 2 . 1 1 20 20 LYS C C 20 178.017 178.017 177.484 0.533 25663 629 1 2 . 1 1 20 20 LYS CA C 20 60.086 60.086 58.804 1.282 25663 630 1 2 . 1 1 20 20 LYS CB C 20 33.186 33.186 32.484 0.702 25663 631 1 2 . 1 1 20 20 LYS H H 20 8.188 8.188 7.845 0.343 25663 632 1 2 . 1 1 21 21 ALA N N 21 117.564 117.564 120.759 -3.195 25663 633 1 2 . 1 1 21 21 ALA HA H 21 4.040 4.040 4.190 -0.150 25663 634 1 2 . 1 1 21 21 ALA C C 21 180.598 180.598 179.404 1.194 25663 635 1 2 . 1 1 21 21 ALA CA C 21 54.991 54.991 54.622 0.369 25663 636 1 2 . 1 1 21 21 ALA CB C 21 18.071 18.071 19.029 -0.959 25663 637 1 2 . 1 1 21 21 ALA H H 21 7.382 7.382 7.631 -0.249 25663 638 1 2 . 1 1 22 22 VAL N N 22 120.351 120.351 113.017 7.334 25663 639 1 2 . 1 1 22 22 VAL HA H 22 3.883 3.883 3.931 -0.048 25663 640 1 2 . 1 1 22 22 VAL C C 22 177.921 177.921 176.455 1.466 25663 641 1 2 . 1 1 22 22 VAL CA C 22 66.242 66.242 64.017 2.225 25663 642 1 2 . 1 1 22 22 VAL CB C 22 31.136 31.136 31.053 0.083 25663 643 1 2 . 1 1 22 22 VAL H H 22 8.203 8.203 7.680 0.523 25663 644 1 2 . 1 1 23 23 CYS N N 23 116.368 116.368 117.802 -1.434 25663 645 1 2 . 1 1 23 23 CYS HA H 23 4.352 4.352 4.675 -0.323 25663 646 1 2 . 1 1 23 23 CYS C C 23 178.687 178.687 174.225 4.462 25663 647 1 2 . 1 1 23 23 CYS CA C 23 55.224 55.224 58.172 -2.948 25663 648 1 2 . 1 1 23 23 CYS CB C 23 33.542 33.542 30.480 3.062 25663 649 1 2 . 1 1 23 23 CYS H H 23 7.788 7.788 7.571 0.217 25663 650 1 2 . 1 1 24 24 GLU N N 24 120.341 120.341 115.972 4.369 25663 651 1 2 . 1 1 24 24 GLU HA H 24 4.259 4.259 3.874 0.385 25663 652 1 2 . 1 1 24 24 GLU C C 24 180.516 180.516 176.948 3.568 25663 653 1 2 . 1 1 24 24 GLU CA C 24 58.412 58.412 58.241 0.171 25663 654 1 2 . 1 1 24 24 GLU CB C 24 28.855 28.855 28.576 0.279 25663 655 1 2 . 1 1 24 24 GLU H H 24 8.196 8.196 8.587 -0.391 25663 656 1 2 . 1 1 25 25 PHE N N 25 124.937 124.937 119.096 5.841 25663 657 1 2 . 1 1 25 25 PHE HA H 25 4.267 4.267 4.209 0.058 25663 658 1 2 . 1 1 25 25 PHE C C 25 177.593 177.593 176.436 1.157 25663 659 1 2 . 1 1 25 25 PHE CA C 25 60.845 60.845 60.732 0.113 25663 660 1 2 . 1 1 25 25 PHE CB C 25 39.035 39.035 39.401 -0.367 25663 661 1 2 . 1 1 25 25 PHE H H 25 8.946 8.946 8.189 0.757 25663 662 1 2 . 1 1 26 26 GLU N N 26 114.486 114.486 119.128 -4.642 25663 663 1 2 . 1 1 26 26 GLU HA H 26 4.090 4.090 4.179 -0.089 25663 664 1 2 . 1 1 26 26 GLU C C 26 175.712 175.712 177.147 -1.435 25663 665 1 2 . 1 1 26 26 GLU CA C 26 56.249 56.249 56.135 0.114 25663 666 1 2 . 1 1 26 26 GLU CB C 26 29.418 29.418 28.943 0.475 25663 667 1 2 . 1 1 26 26 GLU H H 26 7.359 7.359 8.376 -1.017 25663 668 1 2 . 1 1 27 27 GLY N N 27 106.503 106.503 108.534 -2.031 25663 669 1 2 . 1 1 27 27 GLY C C 27 174.107 174.107 174.511 -0.404 25663 670 1 2 . 1 1 27 27 GLY CA C 27 45.426 45.426 45.191 0.235 25663 671 1 2 . 1 1 27 27 GLY H H 27 7.695 7.695 7.457 0.238 25663 672 1 2 . 1 1 28 28 GLY N N 28 109.515 109.515 107.960 1.555 25663 673 1 2 . 1 1 28 28 GLY C C 28 172.079 172.079 173.530 -1.451 25663 674 1 2 . 1 1 28 28 GLY CA C 28 43.788 43.788 44.123 -0.335 25663 675 1 2 . 1 1 28 28 GLY H H 28 7.745 7.745 7.877 -0.132 25663 676 1 2 . 1 1 29 29 HIS N N 29 116.220 116.220 120.877 -4.657 25663 677 1 2 . 1 1 29 29 HIS HA H 29 4.865 4.865 4.695 0.170 25663 678 1 2 . 1 1 29 29 HIS C C 29 174.118 174.118 175.452 -1.334 25663 679 1 2 . 1 1 29 29 HIS CA C 29 54.169 54.169 55.319 -1.150 25663 680 1 2 . 1 1 29 29 HIS CB C 29 33.436 33.436 32.403 1.033 25663 681 1 2 . 1 1 29 29 HIS H H 29 8.412 8.412 8.348 0.064 25663 682 1 2 . 1 1 30 30 LEU N N 30 124.046 124.046 121.780 2.266 25663 683 1 2 . 1 1 30 30 LEU HA H 30 4.912 4.912 4.290 0.622 25663 684 1 2 . 1 1 30 30 LEU C C 30 178.158 178.158 177.200 0.958 25663 685 1 2 . 1 1 30 30 LEU CA C 30 56.817 56.817 55.356 1.461 25663 686 1 2 . 1 1 30 30 LEU CB C 30 42.534 42.534 42.147 0.387 25663 687 1 2 . 1 1 30 30 LEU H H 30 9.399 9.399 8.518 0.881 25663 688 1 2 . 1 1 31 31 ALA N N 31 126.730 126.730 123.775 2.955 25663 689 1 2 . 1 1 31 31 ALA HA H 31 4.403 4.403 4.132 0.271 25663 690 1 2 . 1 1 31 31 ALA C C 31 176.879 176.879 177.430 -0.551 25663 691 1 2 . 1 1 31 31 ALA CA C 31 52.006 52.006 53.371 -1.365 25663 692 1 2 . 1 1 31 31 ALA CB C 31 19.593 19.593 19.574 0.019 25663 693 1 2 . 1 1 31 31 ALA H H 31 9.331 9.331 8.509 0.822 25663 694 1 2 . 1 1 32 32 THR N N 32 111.206 111.206 116.382 -5.176 25663 695 1 2 . 1 1 32 32 THR HA H 32 4.528 4.528 4.617 -0.089 25663 696 1 2 . 1 1 32 32 THR C C 32 174.899 174.899 174.251 0.648 25663 697 1 2 . 1 1 32 32 THR CA C 32 59.818 59.818 60.095 -0.277 25663 698 1 2 . 1 1 32 32 THR CB C 32 70.949 70.949 72.362 -1.413 25663 699 1 2 . 1 1 32 32 THR H H 32 8.511 8.511 7.648 0.863 25663 700 1 2 . 1 1 33 33 TYR N N 33 121.971 121.971 124.528 -2.557 25663 701 1 2 . 1 1 33 33 TYR HA H 33 3.745 3.745 3.945 -0.200 25663 702 1 2 . 1 1 33 33 TYR C C 33 176.176 176.176 177.406 -1.230 25663 703 1 2 . 1 1 33 33 TYR CA C 33 62.320 62.320 63.700 -1.381 25663 704 1 2 . 1 1 33 33 TYR CB C 33 38.737 38.737 38.510 0.227 25663 705 1 2 . 1 1 33 33 TYR H H 33 8.623 8.623 8.989 -0.366 25663 706 1 2 . 1 1 34 34 LYS N N 34 116.509 116.509 117.955 -1.446 25663 707 1 2 . 1 1 34 34 LYS HA H 34 3.905 3.905 4.017 -0.112 25663 708 1 2 . 1 1 34 34 LYS C C 34 180.207 180.207 178.834 1.373 25663 709 1 2 . 1 1 34 34 LYS CA C 34 59.854 59.854 59.817 0.037 25663 710 1 2 . 1 1 34 34 LYS CB C 34 32.743 32.743 32.180 0.563 25663 711 1 2 . 1 1 34 34 LYS H H 34 8.284 8.284 8.264 0.020 25663 712 1 2 . 1 1 35 35 GLN N N 35 119.270 119.270 117.912 1.358 25663 713 1 2 . 1 1 35 35 GLN HA H 35 3.822 3.822 4.008 -0.186 25663 714 1 2 . 1 1 35 35 GLN C C 35 179.050 179.050 178.448 0.602 25663 715 1 2 . 1 1 35 35 GLN CA C 35 58.402 58.402 58.248 0.154 25663 716 1 2 . 1 1 35 35 GLN CB C 35 26.715 26.715 28.203 -1.488 25663 717 1 2 . 1 1 35 35 GLN H H 35 7.747 7.747 8.088 -0.341 25663 718 1 2 . 1 1 36 36 LEU N N 36 122.992 122.992 120.705 2.287 25663 719 1 2 . 1 1 36 36 LEU HA H 36 3.891 3.891 3.687 0.204 25663 720 1 2 . 1 1 36 36 LEU C C 36 177.812 177.812 178.451 -0.639 25663 721 1 2 . 1 1 36 36 LEU CA C 36 58.166 58.166 57.621 0.545 25663 722 1 2 . 1 1 36 36 LEU CB C 36 41.981 41.981 41.637 0.344 25663 723 1 2 . 1 1 36 36 LEU H H 36 8.473 8.473 8.665 -0.192 25663 724 1 2 . 1 1 37 37 GLU N N 37 120.512 120.512 118.741 1.771 25663 725 1 2 . 1 1 37 37 GLU HA H 37 4.244 4.244 3.797 0.447 25663 726 1 2 . 1 1 37 37 GLU C C 37 177.984 177.984 178.304 -0.320 25663 727 1 2 . 1 1 37 37 GLU CA C 37 58.018 58.018 59.386 -1.368 25663 728 1 2 . 1 1 37 37 GLU CB C 37 28.236 28.236 29.551 -1.315 25663 729 1 2 . 1 1 37 37 GLU H H 37 8.526 8.526 8.202 0.324 25663 730 1 2 . 1 1 38 38 ALA N N 38 121.256 121.256 120.538 0.718 25663 731 1 2 . 1 1 38 38 ALA HA H 38 3.995 3.995 4.198 -0.203 25663 732 1 2 . 1 1 38 38 ALA C C 38 180.513 180.513 178.759 1.754 25663 733 1 2 . 1 1 38 38 ALA CA C 38 54.968 54.968 54.324 0.644 25663 734 1 2 . 1 1 38 38 ALA CB C 38 17.792 17.792 18.247 -0.455 25663 735 1 2 . 1 1 38 38 ALA H H 38 7.806 7.806 7.378 0.428 25663 736 1 2 . 1 1 39 39 ALA N N 39 120.185 120.185 120.196 -0.011 25663 737 1 2 . 1 1 39 39 ALA HA H 39 4.164 4.164 4.277 -0.113 25663 738 1 2 . 1 1 39 39 ALA C C 39 180.063 180.063 180.136 -0.073 25663 739 1 2 . 1 1 39 39 ALA CA C 39 54.064 54.064 53.847 0.216 25663 740 1 2 . 1 1 39 39 ALA CB C 39 17.883 17.883 18.740 -0.857 25663 741 1 2 . 1 1 39 39 ALA H H 39 7.495 7.495 7.599 -0.104 25663 742 1 2 . 1 1 40 40 ARG N N 40 124.604 124.604 119.047 5.557 25663 743 1 2 . 1 1 40 40 ARG HA H 40 4.658 4.658 4.184 0.474 25663 744 1 2 . 1 1 40 40 ARG C C 40 180.610 180.610 178.955 1.655 25663 745 1 2 . 1 1 40 40 ARG CA C 40 58.559 58.559 58.353 0.206 25663 746 1 2 . 1 1 40 40 ARG CB C 40 30.707 30.707 29.541 1.166 25663 747 1 2 . 1 1 40 40 ARG H H 40 8.789 8.789 7.832 0.957 25663 748 1 2 . 1 1 41 41 LYS N N 41 117.810 117.810 119.102 -1.292 25663 749 1 2 . 1 1 41 41 LYS HA H 41 3.925 3.925 4.201 -0.276 25663 750 1 2 . 1 1 41 41 LYS C C 41 178.134 178.134 177.417 0.717 25663 751 1 2 . 1 1 41 41 LYS CA C 41 59.409 59.409 58.480 0.929 25663 752 1 2 . 1 1 41 41 LYS CB C 41 32.786 32.786 32.242 0.544 25663 753 1 2 . 1 1 41 41 LYS H H 41 8.267 8.267 7.573 0.694 25663 754 1 2 . 1 1 42 42 ILE N N 42 110.889 110.889 118.059 -7.170 25663 755 1 2 . 1 1 42 42 ILE HA H 42 4.581 4.581 4.268 0.313 25663 756 1 2 . 1 1 42 42 ILE C C 42 176.527 176.527 176.410 0.117 25663 757 1 2 . 1 1 42 42 ILE CA C 42 60.751 60.751 59.978 0.773 25663 758 1 2 . 1 1 42 42 ILE CB C 42 37.739 37.739 36.985 0.754 25663 759 1 2 . 1 1 42 42 ILE H H 42 7.263 7.263 7.759 -0.496 25663 760 1 2 . 1 1 43 43 GLY N N 43 108.366 108.366 109.399 -1.033 25663 761 1 2 . 1 1 43 43 GLY C C 43 173.880 173.880 174.091 -0.211 25663 762 1 2 . 1 1 43 43 GLY CA C 43 45.585 45.585 45.086 0.499 25663 763 1 2 . 1 1 43 43 GLY H H 43 7.816 7.816 7.507 0.309 25663 764 1 2 . 1 1 44 44 PHE N N 44 125.650 125.650 121.060 4.590 25663 765 1 2 . 1 1 44 44 PHE HA H 44 4.510 4.510 4.439 0.071 25663 766 1 2 . 1 1 44 44 PHE C C 44 171.183 171.183 174.618 -3.435 25663 767 1 2 . 1 1 44 44 PHE CA C 44 59.012 59.012 59.184 -0.172 25663 768 1 2 . 1 1 44 44 PHE CB C 44 39.986 39.986 40.098 -0.112 25663 769 1 2 . 1 1 44 44 PHE H H 44 8.003 8.003 7.579 0.424 25663 770 1 2 . 1 1 45 45 HIS N N 45 126.999 126.999 126.768 0.231 25663 771 1 2 . 1 1 45 45 HIS HA H 45 4.728 4.728 4.633 0.095 25663 772 1 2 . 1 1 45 45 HIS C C 45 175.134 175.134 173.066 2.068 25663 773 1 2 . 1 1 45 45 HIS CA C 45 55.539 55.539 55.571 -0.032 25663 774 1 2 . 1 1 45 45 HIS CB C 45 34.586 34.586 31.015 3.571 25663 775 1 2 . 1 1 45 45 HIS H H 45 7.326 7.326 7.885 -0.559 25663 776 1 2 . 1 1 46 46 VAL N N 46 126.425 126.425 127.605 -1.180 25663 777 1 2 . 1 1 46 46 VAL HA H 46 3.665 3.665 3.870 -0.205 25663 778 1 2 . 1 1 46 46 VAL CA C 46 61.647 61.647 61.390 0.257 25663 779 1 2 . 1 1 46 46 VAL CB C 46 35.141 35.141 33.522 1.619 25663 780 1 2 . 1 1 46 46 VAL H H 46 8.147 8.147 7.667 0.480 25663 781 1 2 . 1 1 47 47 CYS N N 47 127.308 127.308 128.947 -1.639 25663 782 1 2 . 1 1 47 47 CYS HA H 47 4.470 4.470 4.492 -0.022 25663 783 1 2 . 1 1 47 47 CYS C C 47 172.533 172.533 173.987 -1.454 25663 784 1 2 . 1 1 47 47 CYS CA C 47 55.259 55.259 58.141 -2.882 25663 785 1 2 . 1 1 47 47 CYS CB C 47 44.867 44.867 24.876 19.991 25663 786 1 2 . 1 1 47 47 CYS H H 47 8.675 8.675 8.513 0.162 25663 787 1 2 . 1 1 48 48 ALA N N 48 120.376 120.376 131.164 -10.788 25663 788 1 2 . 1 1 48 48 ALA HA H 48 4.278 4.278 4.569 -0.291 25663 789 1 2 . 1 1 48 48 ALA C C 48 173.936 173.936 175.960 -2.024 25663 790 1 2 . 1 1 48 48 ALA CA C 48 51.286 51.286 52.095 -0.809 25663 791 1 2 . 1 1 48 48 ALA CB C 48 19.831 19.831 20.855 -1.024 25663 792 1 2 . 1 1 48 48 ALA H H 48 6.500 6.500 7.671 -1.171 25663 793 1 2 . 1 1 49 49 ALA N N 49 130.715 130.715 126.996 3.719 25663 794 1 2 . 1 1 49 49 ALA HA H 49 3.834 3.834 5.057 -1.223 25663 795 1 2 . 1 1 49 49 ALA C C 49 176.061 176.061 177.116 -1.055 25663 796 1 2 . 1 1 49 49 ALA CA C 49 53.466 53.466 51.488 1.978 25663 797 1 2 . 1 1 49 49 ALA CB C 49 18.332 18.332 19.831 -1.499 25663 798 1 2 . 1 1 49 49 ALA H H 49 8.424 8.424 8.666 -0.242 25663 799 1 2 . 1 1 50 50 GLY N N 50 107.085 107.085 109.491 -2.406 25663 800 1 2 . 1 1 50 50 GLY C C 50 170.793 170.793 172.072 -1.279 25663 801 1 2 . 1 1 50 50 GLY CA C 50 43.792 43.792 45.013 -1.221 25663 802 1 2 . 1 1 50 50 GLY H H 50 8.746 8.746 7.732 1.014 25663 803 1 2 . 1 1 51 51 TRP N N 51 121.565 121.565 120.596 0.969 25663 804 1 2 . 1 1 51 51 TRP HA H 51 4.960 4.960 4.801 0.159 25663 805 1 2 . 1 1 51 51 TRP C C 51 174.095 174.095 175.780 -1.685 25663 806 1 2 . 1 1 51 51 TRP CA C 51 58.852 58.852 58.106 0.746 25663 807 1 2 . 1 1 51 51 TRP CB C 51 32.034 32.034 31.297 0.737 25663 808 1 2 . 1 1 51 51 TRP H H 51 8.596 8.596 7.806 0.790 25663 809 1 2 . 1 1 52 52 MET N N 52 118.713 118.713 115.338 3.375 25663 810 1 2 . 1 1 52 52 MET HA H 52 4.945 4.945 4.914 0.031 25663 811 1 2 . 1 1 52 52 MET C C 52 174.575 174.575 175.111 -0.536 25663 812 1 2 . 1 1 52 52 MET CA C 52 54.277 54.277 54.273 0.004 25663 813 1 2 . 1 1 52 52 MET CB C 52 39.146 39.146 37.902 1.244 25663 814 1 2 . 1 1 52 52 MET H H 52 9.116 9.116 8.394 0.722 25663 815 1 2 . 1 1 53 53 ALA N N 53 120.116 120.116 121.863 -1.747 25663 816 1 2 . 1 1 53 53 ALA HA H 53 4.186 4.186 4.302 -0.116 25663 817 1 2 . 1 1 53 53 ALA C C 53 178.250 178.250 178.148 0.102 25663 818 1 2 . 1 1 53 53 ALA CA C 53 53.791 53.791 53.307 0.484 25663 819 1 2 . 1 1 53 53 ALA CB C 53 19.462 19.462 19.415 0.047 25663 820 1 2 . 1 1 53 53 ALA H H 53 8.517 8.517 8.774 -0.257 25663 821 1 2 . 1 1 54 54 LYS N N 54 112.641 112.641 122.675 -10.034 25663 822 1 2 . 1 1 54 54 LYS HA H 54 3.857 3.857 3.908 -0.051 25663 823 1 2 . 1 1 54 54 LYS C C 54 175.913 175.913 176.738 -0.825 25663 824 1 2 . 1 1 54 54 LYS CA C 54 57.608 57.608 56.667 0.941 25663 825 1 2 . 1 1 54 54 LYS CB C 54 29.796 29.796 31.512 -1.716 25663 826 1 2 . 1 1 54 54 LYS H H 54 8.866 8.866 8.979 -0.113 25663 827 1 2 . 1 1 55 55 GLY N N 55 104.227 104.227 104.067 0.160 25663 828 1 2 . 1 1 55 55 GLY C C 55 173.820 173.820 174.669 -0.849 25663 829 1 2 . 1 1 55 55 GLY CA C 55 45.933 45.933 46.001 -0.068 25663 830 1 2 . 1 1 55 55 GLY H H 55 8.239 8.239 8.421 -0.182 25663 831 1 2 . 1 1 56 56 ARG N N 56 122.045 122.045 120.302 1.743 25663 832 1 2 . 1 1 56 56 ARG HA H 56 4.771 4.771 4.265 0.506 25663 833 1 2 . 1 1 56 56 ARG C C 56 173.828 173.828 175.233 -1.405 25663 834 1 2 . 1 1 56 56 ARG CA C 56 55.010 55.010 57.037 -2.027 25663 835 1 2 . 1 1 56 56 ARG CB C 56 31.939 31.939 31.316 0.623 25663 836 1 2 . 1 1 56 56 ARG H H 56 6.825 6.825 7.639 -0.814 25663 837 1 2 . 1 1 57 57 VAL N N 57 122.581 122.581 118.183 4.398 25663 838 1 2 . 1 1 57 57 VAL HA H 57 4.632 4.632 5.220 -0.588 25663 839 1 2 . 1 1 57 57 VAL C C 57 173.775 173.775 174.213 -0.438 25663 840 1 2 . 1 1 57 57 VAL CA C 57 59.946 59.946 59.133 0.813 25663 841 1 2 . 1 1 57 57 VAL CB C 57 35.191 35.191 35.630 -0.438 25663 842 1 2 . 1 1 57 57 VAL H H 57 7.084 7.084 7.603 -0.519 25663 843 1 2 . 1 1 58 58 GLY N N 58 112.994 112.994 109.212 3.782 25663 844 1 2 . 1 1 58 58 GLY C C 58 171.431 171.431 172.007 -0.576 25663 845 1 2 . 1 1 58 58 GLY CA C 58 46.285 46.285 45.918 0.367 25663 846 1 2 . 1 1 58 58 GLY H H 58 8.112 8.112 7.648 0.464 25663 847 1 2 . 1 1 59 59 TYR N N 59 111.540 111.540 115.370 -3.830 25663 848 1 2 . 1 1 59 59 TYR HA H 59 4.337 4.337 5.076 -0.739 25663 849 1 2 . 1 1 59 59 TYR CA C 59 55.972 55.972 54.283 1.688 25663 850 1 2 . 1 1 59 59 TYR CB C 59 34.363 34.363 38.297 -3.934 25663 851 1 2 . 1 1 59 59 TYR H H 59 7.796 7.796 8.123 -0.327 25663 852 1 2 . 1 1 60 60 PRO HA H 60 4.497 4.497 4.345 0.152 25663 853 1 2 . 1 1 60 60 PRO CA C 60 62.231 62.231 63.459 -1.228 25663 854 1 2 . 1 1 60 60 PRO CB C 60 33.314 33.314 32.197 1.117 25663 855 1 2 . 1 1 61 61 ILE HA H 61 4.444 4.444 4.535 -0.091 25663 856 1 2 . 1 1 61 61 ILE CA C 61 56.601 56.601 59.776 -3.175 25663 857 1 2 . 1 1 61 61 ILE CB C 61 38.417 38.417 42.073 -3.656 25663 858 1 2 . 1 1 62 62 VAL HA H 62 3.935 3.935 3.782 0.153 25663 859 1 2 . 1 1 62 62 VAL CA C 62 64.377 64.377 66.029 -1.652 25663 860 1 2 . 1 1 62 62 VAL CB C 62 34.087 34.087 32.157 1.931 25663 861 1 2 . 1 1 62 62 VAL H H 62 11.229 11.229 8.930 2.299 25663 862 1 2 . 1 1 63 63 LYS N N 63 122.578 122.578 113.603 8.975 25663 863 1 2 . 1 1 63 63 LYS HA H 63 4.753 4.753 4.554 0.199 25663 864 1 2 . 1 1 63 63 LYS CA C 63 52.473 52.473 56.902 -4.429 25663 865 1 2 . 1 1 63 63 LYS CB C 63 32.983 32.983 32.501 0.482 25663 866 1 2 . 1 1 63 63 LYS H H 63 7.501 7.501 8.247 -0.746 25663 867 1 2 . 1 1 64 64 PRO HA H 64 4.362 4.362 4.514 -0.152 25663 868 1 2 . 1 1 64 64 PRO CA C 64 63.124 63.124 63.504 -0.380 25663 869 1 2 . 1 1 64 64 PRO CB C 64 32.121 32.121 32.220 -0.099 25663 870 1 2 . 1 1 65 65 GLY CA C 65 45.512 45.512 44.890 0.622 25663 871 1 2 . 1 1 65 65 GLY H H 65 8.377 8.377 8.174 0.203 25663 872 1 2 . 1 1 66 66 PRO HA H 66 4.010 4.010 4.421 -0.411 25663 873 1 2 . 1 1 66 66 PRO C C 66 177.072 177.072 176.857 0.215 25663 874 1 2 . 1 1 66 66 PRO CA C 66 64.765 64.765 64.178 0.587 25663 875 1 2 . 1 1 66 66 PRO CB C 66 32.121 32.121 32.307 -0.186 25663 876 1 2 . 1 1 67 67 ASN N N 67 114.419 114.419 116.467 -2.048 25663 877 1 2 . 1 1 67 67 ASN HA H 67 4.995 4.995 4.659 0.336 25663 878 1 2 . 1 1 67 67 ASN C C 67 173.872 173.872 175.379 -1.507 25663 879 1 2 . 1 1 67 67 ASN CA C 67 52.349 52.349 53.496 -1.147 25663 880 1 2 . 1 1 67 67 ASN CB C 67 38.955 38.955 38.791 0.164 25663 881 1 2 . 1 1 67 67 ASN H H 67 8.330 8.330 8.542 -0.212 25663 882 1 2 . 1 1 68 68 CYS N N 68 118.995 118.995 117.076 1.919 25663 883 1 2 . 1 1 68 68 CYS HA H 68 5.034 5.034 4.763 0.271 25663 884 1 2 . 1 1 68 68 CYS CA C 68 54.247 54.247 56.270 -2.023 25663 885 1 2 . 1 1 68 68 CYS CB C 68 44.260 44.260 29.634 14.626 25663 886 1 2 . 1 1 68 68 CYS H H 68 7.327 7.327 7.555 -0.228 25663 887 1 2 . 1 1 70 70 PHE HA H 70 4.305 4.305 4.625 -0.320 25663 888 1 2 . 1 1 70 70 PHE CA C 70 58.889 58.889 56.282 2.607 25663 889 1 2 . 1 1 70 70 PHE CB C 70 36.557 36.557 38.100 -1.543 25663 890 1 2 . 1 1 71 71 GLY N N 71 105.368 105.368 109.576 -4.208 25663 891 1 2 . 1 1 71 71 GLY CA C 71 46.043 46.043 45.584 0.459 25663 892 1 2 . 1 1 71 71 GLY H H 71 7.339 7.339 7.311 0.028 25663 893 1 2 . 1 1 72 72 LYS N N 72 120.404 120.404 118.065 2.339 25663 894 1 2 . 1 1 72 72 LYS HA H 72 4.264 4.264 4.633 -0.369 25663 895 1 2 . 1 1 72 72 LYS C C 72 175.440 175.440 175.037 0.403 25663 896 1 2 . 1 1 72 72 LYS CA C 72 56.413 56.413 55.118 1.295 25663 897 1 2 . 1 1 72 72 LYS CB C 72 33.686 33.686 35.009 -1.323 25663 898 1 2 . 1 1 72 72 LYS H H 72 6.946 6.946 8.041 -1.095 25663 899 1 2 . 1 1 73 73 THR N N 73 110.334 110.334 111.718 -1.384 25663 900 1 2 . 1 1 73 73 THR HA H 73 4.233 4.233 4.358 -0.125 25663 901 1 2 . 1 1 73 73 THR C C 73 173.774 173.774 175.434 -1.660 25663 902 1 2 . 1 1 73 73 THR CA C 73 60.879 60.879 61.307 -0.428 25663 903 1 2 . 1 1 73 73 THR CB C 73 70.841 70.841 70.373 0.468 25663 904 1 2 . 1 1 73 73 THR H H 73 7.911 7.911 8.176 -0.265 25663 905 1 2 . 1 1 74 74 GLY N N 74 109.589 109.589 110.830 -1.241 25663 906 1 2 . 1 1 74 74 GLY C C 74 172.715 172.715 174.112 -1.397 25663 907 1 2 . 1 1 74 74 GLY CA C 74 43.404 43.404 44.544 -1.140 25663 908 1 2 . 1 1 74 74 GLY H H 74 7.904 7.904 8.291 -0.387 25663 909 1 2 . 1 1 75 75 ILE N N 75 120.787 120.787 120.586 0.201 25663 910 1 2 . 1 1 75 75 ILE HA H 75 4.221 4.221 3.774 0.447 25663 911 1 2 . 1 1 75 75 ILE C C 75 176.249 176.249 177.223 -0.974 25663 912 1 2 . 1 1 75 75 ILE CA C 75 59.422 59.422 62.532 -3.110 25663 913 1 2 . 1 1 75 75 ILE CB C 75 36.008 36.008 37.980 -1.972 25663 914 1 2 . 1 1 75 75 ILE H H 75 8.265 8.265 8.052 0.213 25663 915 1 2 . 1 1 76 76 ILE N N 76 134.542 134.542 116.874 17.668 25663 916 1 2 . 1 1 76 76 ILE HA H 76 3.587 3.587 4.328 -0.741 25663 917 1 2 . 1 1 76 76 ILE C C 76 173.769 173.769 174.779 -1.010 25663 918 1 2 . 1 1 76 76 ILE CA C 76 59.599 59.599 61.272 -1.673 25663 919 1 2 . 1 1 76 76 ILE CB C 76 33.139 33.139 39.219 -6.080 25663 920 1 2 . 1 1 76 76 ILE H H 76 8.660 8.660 7.659 1.001 25663 921 1 2 . 1 1 77 77 ASP N N 77 126.213 126.213 122.194 4.019 25663 922 1 2 . 1 1 77 77 ASP HA H 77 4.790 4.790 4.472 0.318 25663 923 1 2 . 1 1 77 77 ASP C C 77 176.390 176.390 174.767 1.623 25663 924 1 2 . 1 1 77 77 ASP CA C 77 52.927 52.927 53.761 -0.834 25663 925 1 2 . 1 1 77 77 ASP CB C 77 44.224 44.224 41.029 3.195 25663 926 1 2 . 1 1 77 77 ASP H H 77 7.925 7.925 7.436 0.489 25663 927 1 2 . 1 1 78 78 TYR N N 78 126.424 126.424 122.718 3.706 25663 928 1 2 . 1 1 78 78 TYR HA H 78 4.780 4.780 5.409 -0.629 25663 929 1 2 . 1 1 78 78 TYR C C 78 177.025 177.025 174.995 2.030 25663 930 1 2 . 1 1 78 78 TYR CA C 78 54.257 54.257 56.424 -2.167 25663 931 1 2 . 1 1 78 78 TYR CB C 78 36.513 36.513 40.249 -3.736 25663 932 1 2 . 1 1 78 78 TYR H H 78 9.313 9.313 7.297 2.016 25663 933 1 2 . 1 1 79 79 GLY N N 79 110.776 110.776 108.261 2.515 25663 934 1 2 . 1 1 79 79 GLY C C 79 172.389 172.389 173.209 -0.820 25663 935 1 2 . 1 1 79 79 GLY CA C 79 44.317 44.317 44.575 -0.258 25663 936 1 2 . 1 1 79 79 GLY H H 79 8.880 8.880 8.438 0.442 25663 937 1 2 . 1 1 80 80 ILE N N 80 117.437 117.437 120.616 -3.179 25663 938 1 2 . 1 1 80 80 ILE HA H 80 3.897 3.897 4.531 -0.634 25663 939 1 2 . 1 1 80 80 ILE C C 80 177.495 177.495 176.750 0.745 25663 940 1 2 . 1 1 80 80 ILE CA C 80 61.293 61.293 60.504 0.789 25663 941 1 2 . 1 1 80 80 ILE CB C 80 36.412 36.412 38.674 -2.262 25663 942 1 2 . 1 1 80 80 ILE H H 80 8.189 8.189 8.397 -0.208 25663 943 1 2 . 1 1 81 81 ARG N N 81 128.585 128.585 127.592 0.993 25663 944 1 2 . 1 1 81 81 ARG HA H 81 4.367 4.367 4.317 0.050 25663 945 1 2 . 1 1 81 81 ARG CA C 81 52.745 52.745 55.897 -3.152 25663 946 1 2 . 1 1 81 81 ARG CB C 81 27.133 27.133 30.928 -3.795 25663 947 1 2 . 1 1 81 81 ARG H H 81 8.367 8.367 8.517 -0.150 25663 948 1 2 . 1 1 82 82 LEU HA H 82 4.145 4.145 4.423 -0.278 25663 949 1 2 . 1 1 82 82 LEU C C 82 177.546 177.546 176.483 1.063 25663 950 1 2 . 1 1 82 82 LEU CA C 82 56.857 56.857 56.086 0.771 25663 951 1 2 . 1 1 82 82 LEU CB C 82 42.266 42.266 41.955 0.311 25663 952 1 2 . 1 1 82 82 LEU H H 82 8.226 8.226 8.598 -0.372 25663 953 1 2 . 1 1 83 83 ASN N N 83 115.779 115.779 115.991 -0.212 25663 954 1 2 . 1 1 83 83 ASN HA H 83 4.913 4.913 4.708 0.205 25663 955 1 2 . 1 1 83 83 ASN C C 83 175.764 175.764 176.670 -0.906 25663 956 1 2 . 1 1 83 83 ASN CA C 83 51.627 51.627 52.968 -1.341 25663 957 1 2 . 1 1 83 83 ASN CB C 83 37.505 37.505 37.010 0.495 25663 958 1 2 . 1 1 83 83 ASN H H 83 8.628 8.628 8.464 0.164 25663 959 1 2 . 1 1 84 84 ARG N N 84 121.554 121.554 118.953 2.601 25663 960 1 2 . 1 1 84 84 ARG HA H 84 4.637 4.637 4.351 0.286 25663 961 1 2 . 1 1 84 84 ARG C C 84 177.197 177.197 176.846 0.351 25663 962 1 2 . 1 1 84 84 ARG CA C 84 56.695 56.695 58.632 -1.937 25663 963 1 2 . 1 1 84 84 ARG CB C 84 29.361 29.361 29.346 0.015 25663 964 1 2 . 1 1 84 84 ARG H H 84 8.593 8.593 8.267 0.326 25663 965 1 2 . 1 1 85 85 SER N N 85 116.623 116.623 110.910 5.713 25663 966 1 2 . 1 1 85 85 SER HA H 85 4.628 4.628 4.721 -0.093 25663 967 1 2 . 1 1 85 85 SER C C 85 174.403 174.403 174.700 -0.297 25663 968 1 2 . 1 1 85 85 SER CA C 85 58.827 58.827 58.456 0.370 25663 969 1 2 . 1 1 85 85 SER CB C 85 62.996 62.996 64.058 -1.062 25663 970 1 2 . 1 1 85 85 SER H H 85 8.567 8.567 8.054 0.513 25663 971 1 2 . 1 1 86 86 GLU N N 86 121.171 121.171 123.976 -2.805 25663 972 1 2 . 1 1 86 86 GLU HA H 86 3.864 3.864 4.621 -0.757 25663 973 1 2 . 1 1 86 86 GLU C C 86 174.422 174.422 175.165 -0.743 25663 974 1 2 . 1 1 86 86 GLU CA C 86 57.520 57.520 55.890 1.630 25663 975 1 2 . 1 1 86 86 GLU CB C 86 31.292 31.292 31.262 0.030 25663 976 1 2 . 1 1 86 86 GLU H H 86 7.219 7.219 8.649 -1.430 25663 977 1 2 . 1 1 87 87 ARG N N 87 118.124 118.124 116.830 1.294 25663 978 1 2 . 1 1 87 87 ARG HA H 87 4.687 4.687 4.623 0.064 25663 979 1 2 . 1 1 87 87 ARG C C 87 173.408 173.408 174.081 -0.673 25663 980 1 2 . 1 1 87 87 ARG CA C 87 54.387 54.387 55.528 -1.141 25663 981 1 2 . 1 1 87 87 ARG CB C 87 31.544 31.544 33.133 -1.589 25663 982 1 2 . 1 1 87 87 ARG H H 87 7.263 7.263 8.131 -0.868 25663 983 1 2 . 1 1 88 88 TRP N N 88 121.383 121.383 120.631 0.752 25663 984 1 2 . 1 1 88 88 TRP HA H 88 4.899 4.899 4.945 -0.046 25663 985 1 2 . 1 1 88 88 TRP CA C 88 54.508 54.508 56.762 -2.254 25663 986 1 2 . 1 1 88 88 TRP CB C 88 33.610 33.610 32.558 1.052 25663 987 1 2 . 1 1 88 88 TRP H H 88 8.811 8.811 8.913 -0.102 25663 988 1 2 . 1 1 89 89 ASP N N 89 119.285 119.285 118.971 0.314 25663 989 1 2 . 1 1 89 89 ASP HA H 89 5.602 5.602 4.608 0.994 25663 990 1 2 . 1 1 89 89 ASP C C 89 173.648 173.648 175.027 -1.379 25663 991 1 2 . 1 1 89 89 ASP CA C 89 54.558 54.558 53.688 0.870 25663 992 1 2 . 1 1 89 89 ASP CB C 89 40.438 40.438 41.343 -0.905 25663 993 1 2 . 1 1 89 89 ASP H H 89 8.552 8.552 8.152 0.400 25663 994 1 2 . 1 1 90 90 ALA N N 90 121.014 121.014 118.299 2.715 25663 995 1 2 . 1 1 90 90 ALA HA H 90 5.095 5.095 4.424 0.671 25663 996 1 2 . 1 1 90 90 ALA C C 90 175.076 175.076 174.700 0.376 25663 997 1 2 . 1 1 90 90 ALA CA C 90 52.089 52.089 51.466 0.623 25663 998 1 2 . 1 1 90 90 ALA CB C 90 23.118 23.118 22.227 0.891 25663 999 1 2 . 1 1 90 90 ALA H H 90 8.449 8.449 7.858 0.591 25663 1000 1 2 . 1 1 91 91 TYR N N 91 118.243 118.243 117.836 0.407 25663 1001 1 2 . 1 1 91 91 TYR HA H 91 5.072 5.072 5.015 0.057 25663 1002 1 2 . 1 1 91 91 TYR C C 91 174.671 174.671 174.338 0.333 25663 1003 1 2 . 1 1 91 91 TYR CA C 91 58.787 58.787 57.699 1.088 25663 1004 1 2 . 1 1 91 91 TYR CB C 91 40.686 40.686 41.651 -0.965 25663 1005 1 2 . 1 1 91 91 TYR H H 91 8.421 8.421 8.197 0.224 25663 1006 1 2 . 1 1 92 92 CYS N N 92 119.931 119.931 118.694 1.237 25663 1007 1 2 . 1 1 92 92 CYS HA H 92 5.263 5.263 4.947 0.316 25663 1008 1 2 . 1 1 92 92 CYS C C 92 172.698 172.698 173.075 -0.377 25663 1009 1 2 . 1 1 92 92 CYS CA C 92 50.601 50.601 57.530 -6.929 25663 1010 1 2 . 1 1 92 92 CYS CB C 92 37.818 37.818 31.035 6.784 25663 1011 1 2 . 1 1 92 92 CYS H H 92 8.459 8.459 9.153 -0.694 25663 1012 1 2 . 1 1 93 93 TYR N N 93 120.805 120.805 121.330 -0.525 25663 1013 1 2 . 1 1 93 93 TYR HA H 93 4.903 4.903 4.661 0.242 25663 1014 1 2 . 1 1 93 93 TYR C C 93 173.902 173.902 173.317 0.585 25663 1015 1 2 . 1 1 93 93 TYR CA C 93 57.096 57.096 58.031 -0.934 25663 1016 1 2 . 1 1 93 93 TYR CB C 93 41.665 41.665 41.369 0.296 25663 1017 1 2 . 1 1 93 93 TYR H H 93 9.410 9.410 8.802 0.608 25663 1018 1 2 . 1 1 94 94 ASN N N 94 124.511 124.511 125.924 -1.413 25663 1019 1 2 . 1 1 94 94 ASN HA H 94 4.774 4.774 5.060 -0.286 25663 1020 1 2 . 1 1 94 94 ASN CA C 94 49.599 49.599 51.183 -1.584 25663 1021 1 2 . 1 1 94 94 ASN CB C 94 41.642 41.642 40.454 1.188 25663 1022 1 2 . 1 1 94 94 ASN H H 94 7.832 7.832 8.168 -0.336 25663 1023 1 2 . 1 1 95 95 PRO HA H 95 4.141 4.141 4.205 -0.064 25663 1024 1 2 . 1 1 95 95 PRO C C 95 176.345 176.345 176.014 0.331 25663 1025 1 2 . 1 1 95 95 PRO CA C 95 63.800 63.800 65.177 -1.377 25663 1026 1 2 . 1 1 95 95 PRO CB C 95 32.046 32.046 31.791 0.255 25663 1027 1 2 . 1 1 96 96 HIS N N 96 116.009 116.009 111.629 4.380 25663 1028 1 2 . 1 1 96 96 HIS HA H 96 4.623 4.623 4.541 0.082 25663 1029 1 2 . 1 1 96 96 HIS C C 96 173.999 173.999 172.728 1.271 25663 1030 1 2 . 1 1 96 96 HIS CA C 96 55.046 55.046 54.824 0.222 25663 1031 1 2 . 1 1 96 96 HIS CB C 96 28.821 28.821 31.414 -2.593 25663 1032 1 2 . 1 1 96 96 HIS H H 96 8.354 8.354 8.099 0.255 25663 1033 1 2 . 1 1 97 97 ALA N N 97 123.775 123.775 120.985 2.790 25663 1034 1 2 . 1 1 97 97 ALA HA H 97 4.269 4.269 4.569 -0.300 25663 1035 1 2 . 1 1 97 97 ALA C C 97 176.350 176.350 175.581 0.769 25663 1036 1 2 . 1 1 97 97 ALA CA C 97 51.796 51.796 51.477 0.319 25663 1037 1 2 . 1 1 97 97 ALA CB C 97 19.648 19.648 20.988 -1.340 25663 1038 1 2 . 1 1 97 97 ALA H H 97 7.387 7.387 7.663 -0.276 25663 1039 1 3 . 1 1 2 2 VAL N N 2 122.742 122.742 116.435 6.307 25663 1040 1 3 . 1 1 2 2 VAL HA H 2 5.257 5.257 4.998 0.259 25663 1041 1 3 . 1 1 2 2 VAL C C 2 174.533 174.533 175.080 -0.547 25663 1042 1 3 . 1 1 2 2 VAL CA C 2 60.536 60.536 59.783 0.753 25663 1043 1 3 . 1 1 2 2 VAL CB C 2 33.278 33.278 32.857 0.421 25663 1044 1 3 . 1 1 2 2 VAL H H 2 8.486 8.486 7.413 1.073 25663 1045 1 3 . 1 1 3 3 TYR N N 3 120.172 120.172 120.406 -0.234 25663 1046 1 3 . 1 1 3 3 TYR HA H 3 4.964 4.964 4.795 0.169 25663 1047 1 3 . 1 1 3 3 TYR C C 3 173.399 173.399 174.436 -1.037 25663 1048 1 3 . 1 1 3 3 TYR CA C 3 56.073 56.073 55.643 0.430 25663 1049 1 3 . 1 1 3 3 TYR CB C 3 40.278 40.278 40.034 0.244 25663 1050 1 3 . 1 1 3 3 TYR H H 3 8.715 8.715 7.839 0.876 25663 1051 1 3 . 1 1 4 4 HIS N N 4 121.237 121.237 120.472 0.765 25663 1052 1 3 . 1 1 4 4 HIS HA H 4 4.929 4.929 4.974 -0.045 25663 1053 1 3 . 1 1 4 4 HIS C C 4 172.844 172.844 175.481 -2.637 25663 1054 1 3 . 1 1 4 4 HIS CA C 4 54.154 54.154 57.207 -3.053 25663 1055 1 3 . 1 1 4 4 HIS CB C 4 30.961 30.961 30.581 0.380 25663 1056 1 3 . 1 1 4 4 HIS H H 4 9.414 9.414 8.554 0.860 25663 1057 1 3 . 1 1 5 5 ARG N N 5 128.770 128.770 124.824 3.946 25663 1058 1 3 . 1 1 5 5 ARG HA H 5 4.619 4.619 4.674 -0.055 25663 1059 1 3 . 1 1 5 5 ARG C C 5 172.967 172.967 174.286 -1.319 25663 1060 1 3 . 1 1 5 5 ARG CA C 5 53.177 53.177 55.623 -2.446 25663 1061 1 3 . 1 1 5 5 ARG CB C 5 33.832 33.832 32.473 1.359 25663 1062 1 3 . 1 1 5 5 ARG H H 5 8.805 8.805 8.477 0.328 25663 1063 1 3 . 1 1 6 6 GLU N N 6 121.037 121.037 123.998 -2.961 25663 1064 1 3 . 1 1 6 6 GLU HA H 6 4.490 4.490 4.402 0.088 25663 1065 1 3 . 1 1 6 6 GLU C C 6 176.264 176.264 174.519 1.745 25663 1066 1 3 . 1 1 6 6 GLU CA C 6 53.336 53.336 55.688 -2.352 25663 1067 1 3 . 1 1 6 6 GLU CB C 6 33.133 33.133 32.164 0.969 25663 1068 1 3 . 1 1 6 6 GLU H H 6 8.232 8.232 8.525 -0.293 25663 1069 1 3 . 1 1 7 7 ALA N N 7 123.438 123.438 124.079 -0.641 25663 1070 1 3 . 1 1 7 7 ALA HA H 7 4.215 4.215 4.204 0.011 25663 1071 1 3 . 1 1 7 7 ALA C C 7 178.419 178.419 178.453 -0.034 25663 1072 1 3 . 1 1 7 7 ALA CA C 7 52.182 52.182 52.739 -0.557 25663 1073 1 3 . 1 1 7 7 ALA CB C 7 20.128 20.128 19.243 0.885 25663 1074 1 3 . 1 1 7 7 ALA H H 7 8.756 8.756 8.563 0.193 25663 1075 1 3 . 1 1 8 8 ARG N N 8 122.559 122.559 121.994 0.565 25663 1076 1 3 . 1 1 8 8 ARG HA H 8 3.998 3.998 4.139 -0.141 25663 1077 1 3 . 1 1 8 8 ARG C C 8 177.448 177.448 176.835 0.613 25663 1078 1 3 . 1 1 8 8 ARG CA C 8 58.660 58.660 58.236 0.424 25663 1079 1 3 . 1 1 8 8 ARG CB C 8 29.406 29.406 30.232 -0.826 25663 1080 1 3 . 1 1 8 8 ARG H H 8 8.945 8.945 8.732 0.213 25663 1081 1 3 . 1 1 9 9 SER N N 9 107.309 107.309 112.532 -5.223 25663 1082 1 3 . 1 1 9 9 SER HA H 9 4.261 4.261 4.570 -0.309 25663 1083 1 3 . 1 1 9 9 SER C C 9 174.411 174.411 174.933 -0.522 25663 1084 1 3 . 1 1 9 9 SER CA C 9 58.081 58.081 57.822 0.259 25663 1085 1 3 . 1 1 9 9 SER CB C 9 62.972 62.972 63.927 -0.955 25663 1086 1 3 . 1 1 9 9 SER H H 9 7.445 7.445 7.970 -0.525 25663 1087 1 3 . 1 1 10 10 GLY N N 10 109.574 109.574 110.428 -0.854 25663 1088 1 3 . 1 1 10 10 GLY C C 10 171.580 171.580 173.653 -2.073 25663 1089 1 3 . 1 1 10 10 GLY CA C 10 44.036 44.036 44.948 -0.912 25663 1090 1 3 . 1 1 10 10 GLY H H 10 7.379 7.379 7.796 -0.417 25663 1091 1 3 . 1 1 11 11 LYS N N 11 121.683 121.683 115.886 5.797 25663 1092 1 3 . 1 1 11 11 LYS HA H 11 3.993 3.993 4.206 -0.213 25663 1093 1 3 . 1 1 11 11 LYS C C 11 175.995 175.995 174.396 1.599 25663 1094 1 3 . 1 1 11 11 LYS CA C 11 57.374 57.374 56.307 1.067 25663 1095 1 3 . 1 1 11 11 LYS CB C 11 34.009 34.009 33.949 0.060 25663 1096 1 3 . 1 1 11 11 LYS H H 11 8.040 8.040 8.225 -0.185 25663 1097 1 3 . 1 1 12 12 TYR N N 12 122.956 122.956 119.678 3.278 25663 1098 1 3 . 1 1 12 12 TYR HA H 12 3.990 3.990 4.669 -0.679 25663 1099 1 3 . 1 1 12 12 TYR C C 12 173.905 173.905 174.018 -0.113 25663 1100 1 3 . 1 1 12 12 TYR CA C 12 54.397 54.397 58.281 -3.884 25663 1101 1 3 . 1 1 12 12 TYR CB C 12 32.105 32.105 39.395 -7.290 25663 1102 1 3 . 1 1 12 12 TYR H H 12 9.830 9.830 7.800 2.030 25663 1103 1 3 . 1 1 13 13 LYS N N 13 114.683 114.683 121.260 -6.577 25663 1104 1 3 . 1 1 13 13 LYS HA H 13 4.577 4.577 4.560 0.017 25663 1105 1 3 . 1 1 13 13 LYS C C 13 176.999 176.999 174.666 2.333 25663 1106 1 3 . 1 1 13 13 LYS CA C 13 55.014 55.014 55.993 -0.979 25663 1107 1 3 . 1 1 13 13 LYS CB C 13 35.021 35.021 33.197 1.824 25663 1108 1 3 . 1 1 13 13 LYS H H 13 8.445 8.445 8.260 0.185 25663 1109 1 3 . 1 1 14 14 LEU N N 14 123.176 123.176 122.118 1.058 25663 1110 1 3 . 1 1 14 14 LEU HA H 14 5.122 5.122 4.680 0.442 25663 1111 1 3 . 1 1 14 14 LEU C C 14 178.304 178.304 176.088 2.216 25663 1112 1 3 . 1 1 14 14 LEU CA C 14 54.800 54.800 53.836 0.964 25663 1113 1 3 . 1 1 14 14 LEU CB C 14 43.528 43.528 44.079 -0.551 25663 1114 1 3 . 1 1 14 14 LEU H H 14 9.479 9.479 7.664 1.815 25663 1115 1 3 . 1 1 15 15 THR N N 15 116.144 116.144 117.534 -1.390 25663 1116 1 3 . 1 1 15 15 THR HA H 15 5.485 5.485 4.497 0.988 25663 1117 1 3 . 1 1 15 15 THR C C 15 174.697 174.697 174.432 0.265 25663 1118 1 3 . 1 1 15 15 THR CA C 15 61.722 61.722 60.735 0.987 25663 1119 1 3 . 1 1 15 15 THR CB C 15 70.914 70.914 71.349 -0.435 25663 1120 1 3 . 1 1 15 15 THR H H 15 8.792 8.792 8.458 0.334 25663 1121 1 3 . 1 1 16 16 TYR N N 16 120.594 120.594 124.853 -4.259 25663 1122 1 3 . 1 1 16 16 TYR HA H 16 2.375 2.375 3.795 -1.420 25663 1123 1 3 . 1 1 16 16 TYR C C 16 176.133 176.133 176.761 -0.628 25663 1124 1 3 . 1 1 16 16 TYR CA C 16 61.408 61.408 63.107 -1.699 25663 1125 1 3 . 1 1 16 16 TYR CB C 16 36.889 36.889 38.111 -1.222 25663 1126 1 3 . 1 1 16 16 TYR H H 16 7.402 7.402 8.210 -0.808 25663 1127 1 3 . 1 1 17 17 ALA N N 17 118.108 118.108 120.156 -2.048 25663 1128 1 3 . 1 1 17 17 ALA HA H 17 3.509 3.509 3.774 -0.265 25663 1129 1 3 . 1 1 17 17 ALA C C 17 181.575 181.575 179.621 1.954 25663 1130 1 3 . 1 1 17 17 ALA CA C 17 54.732 54.732 55.376 -0.644 25663 1131 1 3 . 1 1 17 17 ALA CB C 17 18.124 18.124 17.777 0.347 25663 1132 1 3 . 1 1 17 17 ALA H H 17 8.545 8.545 8.367 0.178 25663 1133 1 3 . 1 1 18 18 GLU N N 18 117.696 117.696 118.841 -1.145 25663 1134 1 3 . 1 1 18 18 GLU HA H 18 3.879 3.879 4.024 -0.145 25663 1135 1 3 . 1 1 18 18 GLU C C 18 178.624 178.624 178.744 -0.120 25663 1136 1 3 . 1 1 18 18 GLU CA C 18 58.432 58.432 59.026 -0.594 25663 1137 1 3 . 1 1 18 18 GLU CB C 18 30.814 30.814 28.873 1.941 25663 1138 1 3 . 1 1 18 18 GLU H H 18 7.327 7.327 8.323 -0.996 25663 1139 1 3 . 1 1 19 19 ALA N N 19 124.629 124.629 121.980 2.649 25663 1140 1 3 . 1 1 19 19 ALA HA H 19 3.871 3.871 3.940 -0.069 25663 1141 1 3 . 1 1 19 19 ALA C C 19 177.371 177.371 179.163 -1.792 25663 1142 1 3 . 1 1 19 19 ALA CA C 19 54.955 54.955 55.262 -0.307 25663 1143 1 3 . 1 1 19 19 ALA CB C 19 19.893 19.893 18.363 1.530 25663 1144 1 3 . 1 1 19 19 ALA H H 19 8.744 8.744 8.373 0.371 25663 1145 1 3 . 1 1 20 20 LYS N N 20 117.842 117.842 116.929 0.913 25663 1146 1 3 . 1 1 20 20 LYS HA H 20 3.435 3.435 3.935 -0.500 25663 1147 1 3 . 1 1 20 20 LYS C C 20 178.017 178.017 177.298 0.719 25663 1148 1 3 . 1 1 20 20 LYS CA C 20 60.086 60.086 58.521 1.565 25663 1149 1 3 . 1 1 20 20 LYS CB C 20 33.186 33.186 32.300 0.886 25663 1150 1 3 . 1 1 20 20 LYS H H 20 8.188 8.188 7.698 0.490 25663 1151 1 3 . 1 1 21 21 ALA N N 21 117.564 117.564 120.657 -3.093 25663 1152 1 3 . 1 1 21 21 ALA HA H 21 4.040 4.040 4.153 -0.113 25663 1153 1 3 . 1 1 21 21 ALA C C 21 180.598 180.598 179.589 1.009 25663 1154 1 3 . 1 1 21 21 ALA CA C 21 54.991 54.991 54.508 0.483 25663 1155 1 3 . 1 1 21 21 ALA CB C 21 18.071 18.071 18.905 -0.834 25663 1156 1 3 . 1 1 21 21 ALA H H 21 7.382 7.382 7.259 0.123 25663 1157 1 3 . 1 1 22 22 VAL N N 22 120.351 120.351 112.821 7.530 25663 1158 1 3 . 1 1 22 22 VAL HA H 22 3.883 3.883 3.843 0.040 25663 1159 1 3 . 1 1 22 22 VAL C C 22 177.921 177.921 176.235 1.686 25663 1160 1 3 . 1 1 22 22 VAL CA C 22 66.242 66.242 64.170 2.072 25663 1161 1 3 . 1 1 22 22 VAL CB C 22 31.136 31.136 30.841 0.295 25663 1162 1 3 . 1 1 22 22 VAL H H 22 8.203 8.203 7.688 0.515 25663 1163 1 3 . 1 1 23 23 CYS N N 23 116.368 116.368 118.470 -2.102 25663 1164 1 3 . 1 1 23 23 CYS HA H 23 4.352 4.352 4.607 -0.255 25663 1165 1 3 . 1 1 23 23 CYS C C 23 178.687 178.687 173.921 4.766 25663 1166 1 3 . 1 1 23 23 CYS CA C 23 55.224 55.224 58.644 -3.420 25663 1167 1 3 . 1 1 23 23 CYS CB C 23 33.542 33.542 30.060 3.482 25663 1168 1 3 . 1 1 23 23 CYS H H 23 7.788 7.788 7.429 0.359 25663 1169 1 3 . 1 1 24 24 GLU N N 24 120.341 120.341 116.291 4.050 25663 1170 1 3 . 1 1 24 24 GLU HA H 24 4.259 4.259 3.843 0.416 25663 1171 1 3 . 1 1 24 24 GLU C C 24 180.516 180.516 178.453 2.063 25663 1172 1 3 . 1 1 24 24 GLU CA C 24 58.412 58.412 58.691 -0.279 25663 1173 1 3 . 1 1 24 24 GLU CB C 24 28.855 28.855 27.969 0.886 25663 1174 1 3 . 1 1 24 24 GLU H H 24 8.196 8.196 8.743 -0.547 25663 1175 1 3 . 1 1 25 25 PHE N N 25 124.937 124.937 120.952 3.985 25663 1176 1 3 . 1 1 25 25 PHE HA H 25 4.267 4.267 4.216 0.051 25663 1177 1 3 . 1 1 25 25 PHE C C 25 177.593 177.593 176.075 1.518 25663 1178 1 3 . 1 1 25 25 PHE CA C 25 60.845 60.845 61.171 -0.326 25663 1179 1 3 . 1 1 25 25 PHE CB C 25 39.035 39.035 39.287 -0.252 25663 1180 1 3 . 1 1 25 25 PHE H H 25 8.946 8.946 8.391 0.555 25663 1181 1 3 . 1 1 26 26 GLU N N 26 114.486 114.486 118.296 -3.810 25663 1182 1 3 . 1 1 26 26 GLU HA H 26 4.090 4.090 4.250 -0.160 25663 1183 1 3 . 1 1 26 26 GLU C C 26 175.712 175.712 177.193 -1.481 25663 1184 1 3 . 1 1 26 26 GLU CA C 26 56.249 56.249 56.081 0.168 25663 1185 1 3 . 1 1 26 26 GLU CB C 26 29.418 29.418 29.128 0.290 25663 1186 1 3 . 1 1 26 26 GLU H H 26 7.359 7.359 8.364 -1.005 25663 1187 1 3 . 1 1 27 27 GLY N N 27 106.503 106.503 107.971 -1.468 25663 1188 1 3 . 1 1 27 27 GLY C C 27 174.107 174.107 174.042 0.065 25663 1189 1 3 . 1 1 27 27 GLY CA C 27 45.426 45.426 45.136 0.290 25663 1190 1 3 . 1 1 27 27 GLY H H 27 7.695 7.695 7.700 -0.005 25663 1191 1 3 . 1 1 28 28 GLY N N 28 109.515 109.515 106.964 2.551 25663 1192 1 3 . 1 1 28 28 GLY C C 28 172.079 172.079 172.890 -0.811 25663 1193 1 3 . 1 1 28 28 GLY CA C 28 43.788 43.788 43.871 -0.083 25663 1194 1 3 . 1 1 28 28 GLY H H 28 7.745 7.745 7.656 0.089 25663 1195 1 3 . 1 1 29 29 HIS N N 29 116.220 116.220 114.437 1.783 25663 1196 1 3 . 1 1 29 29 HIS HA H 29 4.865 4.865 5.168 -0.303 25663 1197 1 3 . 1 1 29 29 HIS C C 29 174.118 174.118 175.104 -0.986 25663 1198 1 3 . 1 1 29 29 HIS CA C 29 54.169 54.169 55.762 -1.593 25663 1199 1 3 . 1 1 29 29 HIS CB C 29 33.436 33.436 34.101 -0.665 25663 1200 1 3 . 1 1 29 29 HIS H H 29 8.412 8.412 7.917 0.495 25663 1201 1 3 . 1 1 30 30 LEU N N 30 124.046 124.046 121.275 2.771 25663 1202 1 3 . 1 1 30 30 LEU HA H 30 4.912 4.912 4.330 0.582 25663 1203 1 3 . 1 1 30 30 LEU C C 30 178.158 178.158 177.476 0.682 25663 1204 1 3 . 1 1 30 30 LEU CA C 30 56.817 56.817 55.317 1.500 25663 1205 1 3 . 1 1 30 30 LEU CB C 30 42.534 42.534 42.421 0.113 25663 1206 1 3 . 1 1 30 30 LEU H H 30 9.399 9.399 9.010 0.389 25663 1207 1 3 . 1 1 31 31 ALA N N 31 126.730 126.730 128.133 -1.403 25663 1208 1 3 . 1 1 31 31 ALA HA H 31 4.403 4.403 4.122 0.281 25663 1209 1 3 . 1 1 31 31 ALA C C 31 176.879 176.879 177.398 -0.519 25663 1210 1 3 . 1 1 31 31 ALA CA C 31 52.006 52.006 52.454 -0.448 25663 1211 1 3 . 1 1 31 31 ALA CB C 31 19.593 19.593 18.161 1.432 25663 1212 1 3 . 1 1 31 31 ALA H H 31 9.331 9.331 8.762 0.569 25663 1213 1 3 . 1 1 32 32 THR N N 32 111.206 111.206 118.220 -7.014 25663 1214 1 3 . 1 1 32 32 THR HA H 32 4.528 4.528 4.344 0.184 25663 1215 1 3 . 1 1 32 32 THR C C 32 174.899 174.899 175.115 -0.216 25663 1216 1 3 . 1 1 32 32 THR CA C 32 59.818 59.818 62.309 -2.491 25663 1217 1 3 . 1 1 32 32 THR CB C 32 70.949 70.949 70.498 0.452 25663 1218 1 3 . 1 1 32 32 THR H H 32 8.511 8.511 7.859 0.652 25663 1219 1 3 . 1 1 33 33 TYR N N 33 121.971 121.971 125.684 -3.713 25663 1220 1 3 . 1 1 33 33 TYR HA H 33 3.745 3.745 4.022 -0.277 25663 1221 1 3 . 1 1 33 33 TYR C C 33 176.176 176.176 177.373 -1.197 25663 1222 1 3 . 1 1 33 33 TYR CA C 33 62.320 62.320 63.331 -1.011 25663 1223 1 3 . 1 1 33 33 TYR CB C 33 38.737 38.737 38.553 0.184 25663 1224 1 3 . 1 1 33 33 TYR H H 33 8.623 8.623 8.974 -0.351 25663 1225 1 3 . 1 1 34 34 LYS N N 34 116.509 116.509 118.355 -1.846 25663 1226 1 3 . 1 1 34 34 LYS HA H 34 3.905 3.905 3.968 -0.063 25663 1227 1 3 . 1 1 34 34 LYS C C 34 180.207 180.207 178.798 1.409 25663 1228 1 3 . 1 1 34 34 LYS CA C 34 59.854 59.854 59.937 -0.083 25663 1229 1 3 . 1 1 34 34 LYS CB C 34 32.743 32.743 32.193 0.550 25663 1230 1 3 . 1 1 34 34 LYS H H 34 8.284 8.284 8.347 -0.063 25663 1231 1 3 . 1 1 35 35 GLN N N 35 119.270 119.270 118.116 1.154 25663 1232 1 3 . 1 1 35 35 GLN HA H 35 3.822 3.822 3.965 -0.143 25663 1233 1 3 . 1 1 35 35 GLN C C 35 179.050 179.050 178.891 0.159 25663 1234 1 3 . 1 1 35 35 GLN CA C 35 58.402 58.402 58.418 -0.016 25663 1235 1 3 . 1 1 35 35 GLN CB C 35 26.715 26.715 28.299 -1.584 25663 1236 1 3 . 1 1 35 35 GLN H H 35 7.747 7.747 8.037 -0.290 25663 1237 1 3 . 1 1 36 36 LEU N N 36 122.992 122.992 120.658 2.334 25663 1238 1 3 . 1 1 36 36 LEU HA H 36 3.891 3.891 3.730 0.161 25663 1239 1 3 . 1 1 36 36 LEU C C 36 177.812 177.812 178.393 -0.581 25663 1240 1 3 . 1 1 36 36 LEU CA C 36 58.166 58.166 57.699 0.467 25663 1241 1 3 . 1 1 36 36 LEU CB C 36 41.981 41.981 41.650 0.331 25663 1242 1 3 . 1 1 36 36 LEU H H 36 8.473 8.473 8.585 -0.112 25663 1243 1 3 . 1 1 37 37 GLU N N 37 120.512 120.512 119.596 0.916 25663 1244 1 3 . 1 1 37 37 GLU HA H 37 4.244 4.244 3.704 0.540 25663 1245 1 3 . 1 1 37 37 GLU C C 37 177.984 177.984 178.305 -0.321 25663 1246 1 3 . 1 1 37 37 GLU CA C 37 58.018 58.018 59.939 -1.921 25663 1247 1 3 . 1 1 37 37 GLU CB C 37 28.236 28.236 29.320 -1.084 25663 1248 1 3 . 1 1 37 37 GLU H H 37 8.526 8.526 8.019 0.507 25663 1249 1 3 . 1 1 38 38 ALA N N 38 121.256 121.256 120.144 1.112 25663 1250 1 3 . 1 1 38 38 ALA HA H 38 3.995 3.995 4.129 -0.134 25663 1251 1 3 . 1 1 38 38 ALA C C 38 180.513 180.513 178.629 1.884 25663 1252 1 3 . 1 1 38 38 ALA CA C 38 54.968 54.968 54.227 0.741 25663 1253 1 3 . 1 1 38 38 ALA CB C 38 17.792 17.792 18.007 -0.215 25663 1254 1 3 . 1 1 38 38 ALA H H 38 7.806 7.806 7.707 0.099 25663 1255 1 3 . 1 1 39 39 ALA N N 39 120.185 120.185 120.696 -0.511 25663 1256 1 3 . 1 1 39 39 ALA HA H 39 4.164 4.164 4.212 -0.048 25663 1257 1 3 . 1 1 39 39 ALA C C 39 180.063 180.063 180.323 -0.260 25663 1258 1 3 . 1 1 39 39 ALA CA C 39 54.064 54.064 54.199 -0.135 25663 1259 1 3 . 1 1 39 39 ALA CB C 39 17.883 17.883 18.675 -0.793 25663 1260 1 3 . 1 1 39 39 ALA H H 39 7.495 7.495 7.605 -0.110 25663 1261 1 3 . 1 1 40 40 ARG N N 40 124.604 124.604 118.391 6.213 25663 1262 1 3 . 1 1 40 40 ARG HA H 40 4.658 4.658 4.490 0.168 25663 1263 1 3 . 1 1 40 40 ARG C C 40 180.610 180.610 179.265 1.345 25663 1264 1 3 . 1 1 40 40 ARG CA C 40 58.559 58.559 57.595 0.964 25663 1265 1 3 . 1 1 40 40 ARG CB C 40 30.707 30.707 29.405 1.302 25663 1266 1 3 . 1 1 40 40 ARG H H 40 8.789 8.789 8.076 0.713 25663 1267 1 3 . 1 1 41 41 LYS N N 41 117.810 117.810 119.101 -1.291 25663 1268 1 3 . 1 1 41 41 LYS HA H 41 3.925 3.925 4.239 -0.314 25663 1269 1 3 . 1 1 41 41 LYS C C 41 178.134 178.134 177.249 0.885 25663 1270 1 3 . 1 1 41 41 LYS CA C 41 59.409 59.409 58.228 1.181 25663 1271 1 3 . 1 1 41 41 LYS CB C 41 32.786 32.786 32.401 0.385 25663 1272 1 3 . 1 1 41 41 LYS H H 41 8.267 8.267 7.779 0.488 25663 1273 1 3 . 1 1 42 42 ILE N N 42 110.889 110.889 118.541 -7.652 25663 1274 1 3 . 1 1 42 42 ILE HA H 42 4.581 4.581 4.247 0.334 25663 1275 1 3 . 1 1 42 42 ILE C C 42 176.527 176.527 176.333 0.194 25663 1276 1 3 . 1 1 42 42 ILE CA C 42 60.751 60.751 60.835 -0.084 25663 1277 1 3 . 1 1 42 42 ILE CB C 42 37.739 37.739 37.597 0.142 25663 1278 1 3 . 1 1 42 42 ILE H H 42 7.263 7.263 7.997 -0.734 25663 1279 1 3 . 1 1 43 43 GLY N N 43 108.366 108.366 108.748 -0.382 25663 1280 1 3 . 1 1 43 43 GLY C C 43 173.880 173.880 174.145 -0.265 25663 1281 1 3 . 1 1 43 43 GLY CA C 43 45.585 45.585 44.889 0.696 25663 1282 1 3 . 1 1 43 43 GLY H H 43 7.816 7.816 7.450 0.366 25663 1283 1 3 . 1 1 44 44 PHE N N 44 125.650 125.650 123.261 2.389 25663 1284 1 3 . 1 1 44 44 PHE HA H 44 4.510 4.510 4.388 0.122 25663 1285 1 3 . 1 1 44 44 PHE C C 44 171.183 171.183 174.286 -3.103 25663 1286 1 3 . 1 1 44 44 PHE CA C 44 59.012 59.012 58.933 0.079 25663 1287 1 3 . 1 1 44 44 PHE CB C 44 39.986 39.986 39.852 0.134 25663 1288 1 3 . 1 1 44 44 PHE H H 44 8.003 8.003 7.747 0.256 25663 1289 1 3 . 1 1 45 45 HIS N N 45 126.999 126.999 127.469 -0.470 25663 1290 1 3 . 1 1 45 45 HIS HA H 45 4.728 4.728 4.730 -0.002 25663 1291 1 3 . 1 1 45 45 HIS C C 45 175.134 175.134 173.218 1.916 25663 1292 1 3 . 1 1 45 45 HIS CA C 45 55.539 55.539 55.295 0.244 25663 1293 1 3 . 1 1 45 45 HIS CB C 45 34.586 34.586 31.233 3.353 25663 1294 1 3 . 1 1 45 45 HIS H H 45 7.326 7.326 8.177 -0.851 25663 1295 1 3 . 1 1 46 46 VAL N N 46 126.425 126.425 126.546 -0.121 25663 1296 1 3 . 1 1 46 46 VAL HA H 46 3.665 3.665 4.001 -0.336 25663 1297 1 3 . 1 1 46 46 VAL CA C 46 61.647 61.647 61.550 0.097 25663 1298 1 3 . 1 1 46 46 VAL CB C 46 35.141 35.141 35.312 -0.171 25663 1299 1 3 . 1 1 46 46 VAL H H 46 8.147 8.147 7.893 0.254 25663 1300 1 3 . 1 1 47 47 CYS N N 47 127.308 127.308 128.079 -0.771 25663 1301 1 3 . 1 1 47 47 CYS HA H 47 4.470 4.470 4.861 -0.391 25663 1302 1 3 . 1 1 47 47 CYS C C 47 172.533 172.533 173.940 -1.407 25663 1303 1 3 . 1 1 47 47 CYS CA C 47 55.259 55.259 58.392 -3.133 25663 1304 1 3 . 1 1 47 47 CYS CB C 47 44.867 44.867 25.842 19.025 25663 1305 1 3 . 1 1 47 47 CYS H H 47 8.675 8.675 8.621 0.054 25663 1306 1 3 . 1 1 48 48 ALA N N 48 120.376 120.376 128.780 -8.404 25663 1307 1 3 . 1 1 48 48 ALA HA H 48 4.278 4.278 4.441 -0.163 25663 1308 1 3 . 1 1 48 48 ALA C C 48 173.936 173.936 175.087 -1.151 25663 1309 1 3 . 1 1 48 48 ALA CA C 48 51.286 51.286 52.002 -0.716 25663 1310 1 3 . 1 1 48 48 ALA CB C 48 19.831 19.831 22.066 -2.235 25663 1311 1 3 . 1 1 48 48 ALA H H 48 6.500 6.500 8.175 -1.675 25663 1312 1 3 . 1 1 49 49 ALA N N 49 130.715 130.715 125.865 4.850 25663 1313 1 3 . 1 1 49 49 ALA HA H 49 3.834 3.834 4.648 -0.814 25663 1314 1 3 . 1 1 49 49 ALA C C 49 176.061 176.061 177.169 -1.108 25663 1315 1 3 . 1 1 49 49 ALA CA C 49 53.466 53.466 51.873 1.593 25663 1316 1 3 . 1 1 49 49 ALA CB C 49 18.332 18.332 18.830 -0.498 25663 1317 1 3 . 1 1 49 49 ALA H H 49 8.424 8.424 8.449 -0.025 25663 1318 1 3 . 1 1 50 50 GLY N N 50 107.085 107.085 111.320 -4.235 25663 1319 1 3 . 1 1 50 50 GLY C C 50 170.793 170.793 172.556 -1.763 25663 1320 1 3 . 1 1 50 50 GLY CA C 50 43.792 43.792 43.725 0.067 25663 1321 1 3 . 1 1 50 50 GLY H H 50 8.746 8.746 8.150 0.596 25663 1322 1 3 . 1 1 51 51 TRP N N 51 121.565 121.565 121.671 -0.106 25663 1323 1 3 . 1 1 51 51 TRP HA H 51 4.960 4.960 4.755 0.205 25663 1324 1 3 . 1 1 51 51 TRP C C 51 174.095 174.095 175.556 -1.461 25663 1325 1 3 . 1 1 51 51 TRP CA C 51 58.852 58.852 58.521 0.331 25663 1326 1 3 . 1 1 51 51 TRP CB C 51 32.034 32.034 31.100 0.934 25663 1327 1 3 . 1 1 51 51 TRP H H 51 8.596 8.596 8.479 0.117 25663 1328 1 3 . 1 1 52 52 MET N N 52 118.713 118.713 118.827 -0.114 25663 1329 1 3 . 1 1 52 52 MET HA H 52 4.945 4.945 5.034 -0.089 25663 1330 1 3 . 1 1 52 52 MET C C 52 174.575 174.575 175.343 -0.768 25663 1331 1 3 . 1 1 52 52 MET CA C 52 54.277 54.277 53.685 0.592 25663 1332 1 3 . 1 1 52 52 MET CB C 52 39.146 39.146 37.170 1.976 25663 1333 1 3 . 1 1 52 52 MET H H 52 9.116 9.116 9.061 0.055 25663 1334 1 3 . 1 1 53 53 ALA N N 53 120.116 120.116 121.206 -1.090 25663 1335 1 3 . 1 1 53 53 ALA HA H 53 4.186 4.186 4.291 -0.105 25663 1336 1 3 . 1 1 53 53 ALA C C 53 178.250 178.250 178.597 -0.347 25663 1337 1 3 . 1 1 53 53 ALA CA C 53 53.791 53.791 53.922 -0.131 25663 1338 1 3 . 1 1 53 53 ALA CB C 53 19.462 19.462 19.143 0.319 25663 1339 1 3 . 1 1 53 53 ALA H H 53 8.517 8.517 8.643 -0.126 25663 1340 1 3 . 1 1 54 54 LYS N N 54 112.641 112.641 119.697 -7.056 25663 1341 1 3 . 1 1 54 54 LYS HA H 54 3.857 3.857 3.915 -0.058 25663 1342 1 3 . 1 1 54 54 LYS C C 54 175.913 175.913 176.080 -0.167 25663 1343 1 3 . 1 1 54 54 LYS CA C 54 57.608 57.608 57.035 0.574 25663 1344 1 3 . 1 1 54 54 LYS CB C 54 29.796 29.796 30.445 -0.649 25663 1345 1 3 . 1 1 54 54 LYS H H 54 8.866 8.866 9.217 -0.351 25663 1346 1 3 . 1 1 55 55 GLY N N 55 104.227 104.227 103.533 0.694 25663 1347 1 3 . 1 1 55 55 GLY C C 55 173.820 173.820 174.417 -0.597 25663 1348 1 3 . 1 1 55 55 GLY CA C 55 45.933 45.933 45.480 0.453 25663 1349 1 3 . 1 1 55 55 GLY H H 55 8.239 8.239 8.110 0.129 25663 1350 1 3 . 1 1 56 56 ARG N N 56 122.045 122.045 120.919 1.126 25663 1351 1 3 . 1 1 56 56 ARG HA H 56 4.771 4.771 4.114 0.657 25663 1352 1 3 . 1 1 56 56 ARG C C 56 173.828 173.828 174.982 -1.154 25663 1353 1 3 . 1 1 56 56 ARG CA C 56 55.010 55.010 56.961 -1.951 25663 1354 1 3 . 1 1 56 56 ARG CB C 56 31.939 31.939 31.065 0.874 25663 1355 1 3 . 1 1 56 56 ARG H H 56 6.825 6.825 7.661 -0.836 25663 1356 1 3 . 1 1 57 57 VAL N N 57 122.581 122.581 125.137 -2.556 25663 1357 1 3 . 1 1 57 57 VAL HA H 57 4.632 4.632 5.046 -0.414 25663 1358 1 3 . 1 1 57 57 VAL C C 57 173.775 173.775 175.023 -1.248 25663 1359 1 3 . 1 1 57 57 VAL CA C 57 59.946 59.946 60.567 -0.621 25663 1360 1 3 . 1 1 57 57 VAL CB C 57 35.191 35.191 33.200 1.992 25663 1361 1 3 . 1 1 57 57 VAL H H 57 7.084 7.084 7.632 -0.548 25663 1362 1 3 . 1 1 58 58 GLY N N 58 112.994 112.994 113.554 -0.560 25663 1363 1 3 . 1 1 58 58 GLY C C 58 171.431 171.431 171.995 -0.564 25663 1364 1 3 . 1 1 58 58 GLY CA C 58 46.285 46.285 44.941 1.344 25663 1365 1 3 . 1 1 58 58 GLY H H 58 8.112 8.112 7.916 0.196 25663 1366 1 3 . 1 1 59 59 TYR N N 59 111.540 111.540 113.805 -2.265 25663 1367 1 3 . 1 1 59 59 TYR HA H 59 4.337 4.337 5.198 -0.861 25663 1368 1 3 . 1 1 59 59 TYR CA C 59 55.972 55.972 54.564 1.408 25663 1369 1 3 . 1 1 59 59 TYR CB C 59 34.363 34.363 38.038 -3.675 25663 1370 1 3 . 1 1 59 59 TYR H H 59 7.796 7.796 8.443 -0.647 25663 1371 1 3 . 1 1 60 60 PRO HA H 60 4.497 4.497 4.391 0.106 25663 1372 1 3 . 1 1 60 60 PRO CA C 60 62.231 62.231 63.433 -1.202 25663 1373 1 3 . 1 1 60 60 PRO CB C 60 33.314 33.314 32.348 0.966 25663 1374 1 3 . 1 1 61 61 ILE HA H 61 4.444 4.444 4.312 0.132 25663 1375 1 3 . 1 1 61 61 ILE CA C 61 56.601 56.601 60.464 -3.863 25663 1376 1 3 . 1 1 61 61 ILE CB C 61 38.417 38.417 39.994 -1.577 25663 1377 1 3 . 1 1 62 62 VAL HA H 62 3.935 3.935 3.930 0.005 25663 1378 1 3 . 1 1 62 62 VAL CA C 62 64.377 64.377 65.307 -0.930 25663 1379 1 3 . 1 1 62 62 VAL CB C 62 34.087 34.087 32.082 2.005 25663 1380 1 3 . 1 1 62 62 VAL H H 62 11.229 11.229 8.574 2.655 25663 1381 1 3 . 1 1 63 63 LYS N N 63 122.578 122.578 120.021 2.557 25663 1382 1 3 . 1 1 63 63 LYS HA H 63 4.753 4.753 4.581 0.172 25663 1383 1 3 . 1 1 63 63 LYS CA C 63 52.473 52.473 53.244 -0.771 25663 1384 1 3 . 1 1 63 63 LYS CB C 63 32.983 32.983 31.156 1.827 25663 1385 1 3 . 1 1 63 63 LYS H H 63 7.501 7.501 7.473 0.028 25663 1386 1 3 . 1 1 64 64 PRO HA H 64 4.362 4.362 4.243 0.119 25663 1387 1 3 . 1 1 64 64 PRO CA C 64 63.124 63.124 63.358 -0.234 25663 1388 1 3 . 1 1 64 64 PRO CB C 64 32.121 32.121 32.237 -0.116 25663 1389 1 3 . 1 1 65 65 GLY CA C 65 45.512 45.512 44.188 1.324 25663 1390 1 3 . 1 1 65 65 GLY H H 65 8.377 8.377 8.311 0.066 25663 1391 1 3 . 1 1 66 66 PRO HA H 66 4.010 4.010 4.481 -0.471 25663 1392 1 3 . 1 1 66 66 PRO C C 66 177.072 177.072 177.531 -0.459 25663 1393 1 3 . 1 1 66 66 PRO CA C 66 64.765 64.765 63.638 1.127 25663 1394 1 3 . 1 1 66 66 PRO CB C 66 32.121 32.121 32.307 -0.186 25663 1395 1 3 . 1 1 67 67 ASN N N 67 114.419 114.419 118.099 -3.680 25663 1396 1 3 . 1 1 67 67 ASN HA H 67 4.995 4.995 4.508 0.487 25663 1397 1 3 . 1 1 67 67 ASN C C 67 173.872 173.872 174.762 -0.890 25663 1398 1 3 . 1 1 67 67 ASN CA C 67 52.349 52.349 54.062 -1.713 25663 1399 1 3 . 1 1 67 67 ASN CB C 67 38.955 38.955 39.068 -0.113 25663 1400 1 3 . 1 1 67 67 ASN H H 67 8.330 8.330 8.616 -0.286 25663 1401 1 3 . 1 1 68 68 CYS N N 68 118.995 118.995 114.704 4.291 25663 1402 1 3 . 1 1 68 68 CYS HA H 68 5.034 5.034 4.514 0.520 25663 1403 1 3 . 1 1 68 68 CYS CA C 68 54.247 54.247 57.456 -3.209 25663 1404 1 3 . 1 1 68 68 CYS CB C 68 44.260 44.260 29.715 14.545 25663 1405 1 3 . 1 1 68 68 CYS H H 68 7.327 7.327 7.362 -0.035 25663 1406 1 3 . 1 1 70 70 PHE HA H 70 4.305 4.305 4.015 0.290 25663 1407 1 3 . 1 1 70 70 PHE CA C 70 58.889 58.889 58.337 0.552 25663 1408 1 3 . 1 1 70 70 PHE CB C 70 36.557 36.557 36.792 -0.235 25663 1409 1 3 . 1 1 71 71 GLY N N 71 105.368 105.368 109.712 -4.344 25663 1410 1 3 . 1 1 71 71 GLY CA C 71 46.043 46.043 45.347 0.695 25663 1411 1 3 . 1 1 71 71 GLY H H 71 7.339 7.339 8.167 -0.828 25663 1412 1 3 . 1 1 72 72 LYS N N 72 120.404 120.404 118.645 1.759 25663 1413 1 3 . 1 1 72 72 LYS HA H 72 4.264 4.264 4.007 0.257 25663 1414 1 3 . 1 1 72 72 LYS C C 72 175.440 175.440 174.870 0.570 25663 1415 1 3 . 1 1 72 72 LYS CA C 72 56.413 56.413 57.136 -0.723 25663 1416 1 3 . 1 1 72 72 LYS CB C 72 33.686 33.686 32.562 1.124 25663 1417 1 3 . 1 1 72 72 LYS H H 72 6.946 6.946 8.434 -1.488 25663 1418 1 3 . 1 1 73 73 THR N N 73 110.334 110.334 113.507 -3.173 25663 1419 1 3 . 1 1 73 73 THR HA H 73 4.233 4.233 4.828 -0.595 25663 1420 1 3 . 1 1 73 73 THR C C 73 173.774 173.774 174.505 -0.731 25663 1421 1 3 . 1 1 73 73 THR CA C 73 60.879 60.879 60.748 0.131 25663 1422 1 3 . 1 1 73 73 THR CB C 73 70.841 70.841 71.408 -0.567 25663 1423 1 3 . 1 1 73 73 THR H H 73 7.911 7.911 8.182 -0.271 25663 1424 1 3 . 1 1 74 74 GLY N N 74 109.589 109.589 110.048 -0.459 25663 1425 1 3 . 1 1 74 74 GLY C C 74 172.715 172.715 174.586 -1.871 25663 1426 1 3 . 1 1 74 74 GLY CA C 74 43.404 43.404 44.571 -1.167 25663 1427 1 3 . 1 1 74 74 GLY H H 74 7.904 7.904 8.046 -0.142 25663 1428 1 3 . 1 1 75 75 ILE N N 75 120.787 120.787 121.662 -0.875 25663 1429 1 3 . 1 1 75 75 ILE HA H 75 4.221 4.221 3.940 0.281 25663 1430 1 3 . 1 1 75 75 ILE C C 75 176.249 176.249 175.814 0.435 25663 1431 1 3 . 1 1 75 75 ILE CA C 75 59.422 59.422 61.889 -2.467 25663 1432 1 3 . 1 1 75 75 ILE CB C 75 36.008 36.008 38.044 -2.036 25663 1433 1 3 . 1 1 75 75 ILE H H 75 8.265 8.265 8.175 0.090 25663 1434 1 3 . 1 1 76 76 ILE N N 76 134.542 134.542 128.201 6.341 25663 1435 1 3 . 1 1 76 76 ILE HA H 76 3.587 3.587 4.150 -0.563 25663 1436 1 3 . 1 1 76 76 ILE C C 76 173.769 173.769 174.898 -1.129 25663 1437 1 3 . 1 1 76 76 ILE CA C 76 59.599 59.599 58.955 0.644 25663 1438 1 3 . 1 1 76 76 ILE CB C 76 33.139 33.139 37.118 -3.979 25663 1439 1 3 . 1 1 76 76 ILE H H 76 8.660 8.660 8.160 0.500 25663 1440 1 3 . 1 1 77 77 ASP N N 77 126.213 126.213 127.583 -1.370 25663 1441 1 3 . 1 1 77 77 ASP HA H 77 4.790 4.790 4.478 0.312 25663 1442 1 3 . 1 1 77 77 ASP C C 77 176.390 176.390 175.030 1.360 25663 1443 1 3 . 1 1 77 77 ASP CA C 77 52.927 52.927 54.317 -1.390 25663 1444 1 3 . 1 1 77 77 ASP CB C 77 44.224 44.224 41.879 2.345 25663 1445 1 3 . 1 1 77 77 ASP H H 77 7.925 7.925 8.525 -0.600 25663 1446 1 3 . 1 1 78 78 TYR N N 78 126.424 126.424 119.595 6.829 25663 1447 1 3 . 1 1 78 78 TYR HA H 78 4.780 4.780 4.428 0.352 25663 1448 1 3 . 1 1 78 78 TYR C C 78 177.025 177.025 175.696 1.329 25663 1449 1 3 . 1 1 78 78 TYR CA C 78 54.257 54.257 58.394 -4.137 25663 1450 1 3 . 1 1 78 78 TYR CB C 78 36.513 36.513 40.292 -3.779 25663 1451 1 3 . 1 1 78 78 TYR H H 78 9.313 9.313 8.290 1.023 25663 1452 1 3 . 1 1 79 79 GLY N N 79 110.776 110.776 108.186 2.590 25663 1453 1 3 . 1 1 79 79 GLY C C 79 172.389 172.389 172.632 -0.243 25663 1454 1 3 . 1 1 79 79 GLY CA C 79 44.317 44.317 44.544 -0.227 25663 1455 1 3 . 1 1 79 79 GLY H H 79 8.880 8.880 7.822 1.058 25663 1456 1 3 . 1 1 80 80 ILE N N 80 117.437 117.437 120.923 -3.486 25663 1457 1 3 . 1 1 80 80 ILE HA H 80 3.897 3.897 4.153 -0.256 25663 1458 1 3 . 1 1 80 80 ILE C C 80 177.495 177.495 175.493 2.002 25663 1459 1 3 . 1 1 80 80 ILE CA C 80 61.293 61.293 60.848 0.445 25663 1460 1 3 . 1 1 80 80 ILE CB C 80 36.412 36.412 38.399 -1.987 25663 1461 1 3 . 1 1 80 80 ILE H H 80 8.189 8.189 8.194 -0.005 25663 1462 1 3 . 1 1 81 81 ARG N N 81 128.585 128.585 127.642 0.943 25663 1463 1 3 . 1 1 81 81 ARG HA H 81 4.367 4.367 4.516 -0.149 25663 1464 1 3 . 1 1 81 81 ARG CA C 81 52.745 52.745 55.087 -2.342 25663 1465 1 3 . 1 1 81 81 ARG CB C 81 27.133 27.133 30.682 -3.549 25663 1466 1 3 . 1 1 81 81 ARG H H 81 8.367 8.367 8.563 -0.196 25663 1467 1 3 . 1 1 82 82 LEU HA H 82 4.145 4.145 4.427 -0.282 25663 1468 1 3 . 1 1 82 82 LEU C C 82 177.546 177.546 176.959 0.587 25663 1469 1 3 . 1 1 82 82 LEU CA C 82 56.857 56.857 55.146 1.711 25663 1470 1 3 . 1 1 82 82 LEU CB C 82 42.266 42.266 41.527 0.739 25663 1471 1 3 . 1 1 82 82 LEU H H 82 8.226 8.226 8.620 -0.394 25663 1472 1 3 . 1 1 83 83 ASN N N 83 115.779 115.779 116.207 -0.428 25663 1473 1 3 . 1 1 83 83 ASN HA H 83 4.913 4.913 4.668 0.245 25663 1474 1 3 . 1 1 83 83 ASN C C 83 175.764 175.764 176.415 -0.651 25663 1475 1 3 . 1 1 83 83 ASN CA C 83 51.627 51.627 52.666 -1.039 25663 1476 1 3 . 1 1 83 83 ASN CB C 83 37.505 37.505 37.404 0.101 25663 1477 1 3 . 1 1 83 83 ASN H H 83 8.628 8.628 8.309 0.319 25663 1478 1 3 . 1 1 84 84 ARG N N 84 121.554 121.554 119.870 1.684 25663 1479 1 3 . 1 1 84 84 ARG HA H 84 4.637 4.637 3.991 0.646 25663 1480 1 3 . 1 1 84 84 ARG C C 84 177.197 177.197 176.691 0.506 25663 1481 1 3 . 1 1 84 84 ARG CA C 84 56.695 56.695 58.675 -1.980 25663 1482 1 3 . 1 1 84 84 ARG CB C 84 29.361 29.361 29.760 -0.399 25663 1483 1 3 . 1 1 84 84 ARG H H 84 8.593 8.593 8.436 0.157 25663 1484 1 3 . 1 1 85 85 SER N N 85 116.623 116.623 113.207 3.416 25663 1485 1 3 . 1 1 85 85 SER HA H 85 4.628 4.628 4.375 0.253 25663 1486 1 3 . 1 1 85 85 SER C C 85 174.403 174.403 175.096 -0.693 25663 1487 1 3 . 1 1 85 85 SER CA C 85 58.827 58.827 60.842 -2.015 25663 1488 1 3 . 1 1 85 85 SER CB C 85 62.996 62.996 63.636 -0.640 25663 1489 1 3 . 1 1 85 85 SER H H 85 8.567 8.567 8.219 0.348 25663 1490 1 3 . 1 1 86 86 GLU N N 86 121.171 121.171 120.819 0.352 25663 1491 1 3 . 1 1 86 86 GLU HA H 86 3.864 3.864 4.385 -0.521 25663 1492 1 3 . 1 1 86 86 GLU C C 86 174.422 174.422 175.802 -1.380 25663 1493 1 3 . 1 1 86 86 GLU CA C 86 57.520 57.520 56.314 1.206 25663 1494 1 3 . 1 1 86 86 GLU CB C 86 31.292 31.292 30.985 0.307 25663 1495 1 3 . 1 1 86 86 GLU H H 86 7.219 7.219 8.252 -1.033 25663 1496 1 3 . 1 1 87 87 ARG N N 87 118.124 118.124 118.921 -0.797 25663 1497 1 3 . 1 1 87 87 ARG HA H 87 4.687 4.687 4.726 -0.039 25663 1498 1 3 . 1 1 87 87 ARG C C 87 173.408 173.408 174.643 -1.235 25663 1499 1 3 . 1 1 87 87 ARG CA C 87 54.387 54.387 55.535 -1.148 25663 1500 1 3 . 1 1 87 87 ARG CB C 87 31.544 31.544 33.376 -1.832 25663 1501 1 3 . 1 1 87 87 ARG H H 87 7.263 7.263 8.256 -0.993 25663 1502 1 3 . 1 1 88 88 TRP N N 88 121.383 121.383 122.331 -0.948 25663 1503 1 3 . 1 1 88 88 TRP HA H 88 4.899 4.899 5.160 -0.261 25663 1504 1 3 . 1 1 88 88 TRP CA C 88 54.508 54.508 56.828 -2.320 25663 1505 1 3 . 1 1 88 88 TRP CB C 88 33.610 33.610 31.894 1.716 25663 1506 1 3 . 1 1 88 88 TRP H H 88 8.811 8.811 9.385 -0.574 25663 1507 1 3 . 1 1 89 89 ASP N N 89 119.285 119.285 119.497 -0.212 25663 1508 1 3 . 1 1 89 89 ASP HA H 89 5.602 5.602 4.674 0.928 25663 1509 1 3 . 1 1 89 89 ASP C C 89 173.648 173.648 175.200 -1.552 25663 1510 1 3 . 1 1 89 89 ASP CA C 89 54.558 54.558 54.530 0.028 25663 1511 1 3 . 1 1 89 89 ASP CB C 89 40.438 40.438 42.263 -1.825 25663 1512 1 3 . 1 1 89 89 ASP H H 89 8.552 8.552 8.555 -0.003 25663 1513 1 3 . 1 1 90 90 ALA N N 90 121.014 121.014 119.519 1.495 25663 1514 1 3 . 1 1 90 90 ALA HA H 90 5.095 5.095 4.674 0.421 25663 1515 1 3 . 1 1 90 90 ALA C C 90 175.076 175.076 174.719 0.357 25663 1516 1 3 . 1 1 90 90 ALA CA C 90 52.089 52.089 51.830 0.259 25663 1517 1 3 . 1 1 90 90 ALA CB C 90 23.118 23.118 21.746 1.372 25663 1518 1 3 . 1 1 90 90 ALA H H 90 8.449 8.449 8.047 0.402 25663 1519 1 3 . 1 1 91 91 TYR N N 91 118.243 118.243 116.852 1.391 25663 1520 1 3 . 1 1 91 91 TYR HA H 91 5.072 5.072 4.849 0.223 25663 1521 1 3 . 1 1 91 91 TYR C C 91 174.671 174.671 174.968 -0.297 25663 1522 1 3 . 1 1 91 91 TYR CA C 91 58.787 58.787 57.053 1.734 25663 1523 1 3 . 1 1 91 91 TYR CB C 91 40.686 40.686 42.401 -1.715 25663 1524 1 3 . 1 1 91 91 TYR H H 91 8.421 8.421 8.233 0.188 25663 1525 1 3 . 1 1 92 92 CYS N N 92 119.931 119.931 119.586 0.345 25663 1526 1 3 . 1 1 92 92 CYS HA H 92 5.263 5.263 4.826 0.437 25663 1527 1 3 . 1 1 92 92 CYS C C 92 172.698 172.698 172.366 0.332 25663 1528 1 3 . 1 1 92 92 CYS CA C 92 50.601 50.601 58.241 -7.640 25663 1529 1 3 . 1 1 92 92 CYS CB C 92 37.818 37.818 30.882 6.936 25663 1530 1 3 . 1 1 92 92 CYS H H 92 8.459 8.459 8.983 -0.524 25663 1531 1 3 . 1 1 93 93 TYR N N 93 120.805 120.805 125.790 -4.985 25663 1532 1 3 . 1 1 93 93 TYR HA H 93 4.903 4.903 4.821 0.082 25663 1533 1 3 . 1 1 93 93 TYR C C 93 173.902 173.902 173.166 0.736 25663 1534 1 3 . 1 1 93 93 TYR CA C 93 57.096 57.096 57.037 0.059 25663 1535 1 3 . 1 1 93 93 TYR CB C 93 41.665 41.665 41.917 -0.252 25663 1536 1 3 . 1 1 93 93 TYR H H 93 9.410 9.410 8.447 0.963 25663 1537 1 3 . 1 1 94 94 ASN N N 94 124.511 124.511 122.933 1.578 25663 1538 1 3 . 1 1 94 94 ASN HA H 94 4.774 4.774 5.131 -0.357 25663 1539 1 3 . 1 1 94 94 ASN CA C 94 49.599 49.599 50.892 -1.293 25663 1540 1 3 . 1 1 94 94 ASN CB C 94 41.642 41.642 41.941 -0.299 25663 1541 1 3 . 1 1 94 94 ASN H H 94 7.832 7.832 7.424 0.408 25663 1542 1 3 . 1 1 95 95 PRO HA H 95 4.141 4.141 4.468 -0.327 25663 1543 1 3 . 1 1 95 95 PRO C C 95 176.345 176.345 176.798 -0.453 25663 1544 1 3 . 1 1 95 95 PRO CA C 95 63.800 63.800 63.291 0.509 25663 1545 1 3 . 1 1 95 95 PRO CB C 95 32.046 32.046 32.394 -0.348 25663 1546 1 3 . 1 1 96 96 HIS N N 96 116.009 116.009 114.053 1.956 25663 1547 1 3 . 1 1 96 96 HIS HA H 96 4.623 4.623 4.119 0.504 25663 1548 1 3 . 1 1 96 96 HIS C C 96 173.999 173.999 175.122 -1.123 25663 1549 1 3 . 1 1 96 96 HIS CA C 96 55.046 55.046 57.155 -2.109 25663 1550 1 3 . 1 1 96 96 HIS CB C 96 28.821 28.821 27.293 1.528 25663 1551 1 3 . 1 1 96 96 HIS H H 96 8.354 8.354 8.209 0.145 25663 1552 1 3 . 1 1 97 97 ALA N N 97 123.775 123.775 121.066 2.709 25663 1553 1 3 . 1 1 97 97 ALA HA H 97 4.269 4.269 3.986 0.283 25663 1554 1 3 . 1 1 97 97 ALA C C 97 176.350 176.350 177.922 -1.572 25663 1555 1 3 . 1 1 97 97 ALA CA C 97 51.796 51.796 53.889 -2.093 25663 1556 1 3 . 1 1 97 97 ALA CB C 97 19.648 19.648 19.551 0.097 25663 1557 1 3 . 1 1 97 97 ALA H H 97 7.387 7.387 7.929 -0.542 25663 1558 1 4 . 1 1 2 2 VAL N N 2 122.742 122.742 120.090 2.652 25663 1559 1 4 . 1 1 2 2 VAL HA H 2 5.257 5.257 4.485 0.772 25663 1560 1 4 . 1 1 2 2 VAL C C 2 174.533 174.533 175.594 -1.061 25663 1561 1 4 . 1 1 2 2 VAL CA C 2 60.536 60.536 61.557 -1.021 25663 1562 1 4 . 1 1 2 2 VAL CB C 2 33.278 33.278 32.370 0.908 25663 1563 1 4 . 1 1 2 2 VAL H H 2 8.486 8.486 7.713 0.773 25663 1564 1 4 . 1 1 3 3 TYR N N 3 120.172 120.172 118.639 1.533 25663 1565 1 4 . 1 1 3 3 TYR HA H 3 4.964 4.964 4.901 0.063 25663 1566 1 4 . 1 1 3 3 TYR C C 3 173.399 173.399 173.360 0.039 25663 1567 1 4 . 1 1 3 3 TYR CA C 3 56.073 56.073 56.063 0.010 25663 1568 1 4 . 1 1 3 3 TYR CB C 3 40.278 40.278 39.965 0.313 25663 1569 1 4 . 1 1 3 3 TYR H H 3 8.715 8.715 7.980 0.735 25663 1570 1 4 . 1 1 4 4 HIS N N 4 121.237 121.237 119.598 1.639 25663 1571 1 4 . 1 1 4 4 HIS HA H 4 4.929 4.929 4.968 -0.039 25663 1572 1 4 . 1 1 4 4 HIS C C 4 172.844 172.844 174.869 -2.025 25663 1573 1 4 . 1 1 4 4 HIS CA C 4 54.154 54.154 55.767 -1.613 25663 1574 1 4 . 1 1 4 4 HIS CB C 4 30.961 30.961 30.451 0.510 25663 1575 1 4 . 1 1 4 4 HIS H H 4 9.414 9.414 8.667 0.747 25663 1576 1 4 . 1 1 5 5 ARG N N 5 128.770 128.770 125.016 3.754 25663 1577 1 4 . 1 1 5 5 ARG HA H 5 4.619 4.619 4.678 -0.059 25663 1578 1 4 . 1 1 5 5 ARG C C 5 172.967 172.967 174.492 -1.525 25663 1579 1 4 . 1 1 5 5 ARG CA C 5 53.177 53.177 55.397 -2.220 25663 1580 1 4 . 1 1 5 5 ARG CB C 5 33.832 33.832 32.746 1.086 25663 1581 1 4 . 1 1 5 5 ARG H H 5 8.805 8.805 8.588 0.217 25663 1582 1 4 . 1 1 6 6 GLU N N 6 121.037 121.037 123.126 -2.089 25663 1583 1 4 . 1 1 6 6 GLU HA H 6 4.490 4.490 4.563 -0.073 25663 1584 1 4 . 1 1 6 6 GLU C C 6 176.264 176.264 175.766 0.498 25663 1585 1 4 . 1 1 6 6 GLU CA C 6 53.336 53.336 55.328 -1.992 25663 1586 1 4 . 1 1 6 6 GLU CB C 6 33.133 33.133 31.655 1.478 25663 1587 1 4 . 1 1 6 6 GLU H H 6 8.232 8.232 8.495 -0.263 25663 1588 1 4 . 1 1 7 7 ALA N N 7 123.438 123.438 124.685 -1.247 25663 1589 1 4 . 1 1 7 7 ALA HA H 7 4.215 4.215 4.260 -0.045 25663 1590 1 4 . 1 1 7 7 ALA C C 7 178.419 178.419 177.919 0.500 25663 1591 1 4 . 1 1 7 7 ALA CA C 7 52.182 52.182 52.704 -0.522 25663 1592 1 4 . 1 1 7 7 ALA CB C 7 20.128 20.128 19.390 0.738 25663 1593 1 4 . 1 1 7 7 ALA H H 7 8.756 8.756 8.338 0.418 25663 1594 1 4 . 1 1 8 8 ARG N N 8 122.559 122.559 119.884 2.675 25663 1595 1 4 . 1 1 8 8 ARG HA H 8 3.998 3.998 4.227 -0.229 25663 1596 1 4 . 1 1 8 8 ARG C C 8 177.448 177.448 176.396 1.052 25663 1597 1 4 . 1 1 8 8 ARG CA C 8 58.660 58.660 57.705 0.956 25663 1598 1 4 . 1 1 8 8 ARG CB C 8 29.406 29.406 30.256 -0.850 25663 1599 1 4 . 1 1 8 8 ARG H H 8 8.945 8.945 8.366 0.579 25663 1600 1 4 . 1 1 9 9 SER N N 9 107.309 107.309 115.847 -8.538 25663 1601 1 4 . 1 1 9 9 SER HA H 9 4.261 4.261 4.587 -0.326 25663 1602 1 4 . 1 1 9 9 SER C C 9 174.411 174.411 174.017 0.394 25663 1603 1 4 . 1 1 9 9 SER CA C 9 58.081 58.081 58.100 -0.019 25663 1604 1 4 . 1 1 9 9 SER CB C 9 62.972 62.972 64.327 -1.355 25663 1605 1 4 . 1 1 9 9 SER H H 9 7.445 7.445 8.225 -0.780 25663 1606 1 4 . 1 1 10 10 GLY N N 10 109.574 109.574 109.372 0.202 25663 1607 1 4 . 1 1 10 10 GLY C C 10 171.580 171.580 172.577 -0.997 25663 1608 1 4 . 1 1 10 10 GLY CA C 10 44.036 44.036 44.455 -0.419 25663 1609 1 4 . 1 1 10 10 GLY H H 10 7.379 7.379 7.636 -0.257 25663 1610 1 4 . 1 1 11 11 LYS N N 11 121.683 121.683 119.692 1.991 25663 1611 1 4 . 1 1 11 11 LYS HA H 11 3.993 3.993 4.168 -0.175 25663 1612 1 4 . 1 1 11 11 LYS C C 11 175.995 175.995 175.448 0.547 25663 1613 1 4 . 1 1 11 11 LYS CA C 11 57.374 57.374 55.847 1.527 25663 1614 1 4 . 1 1 11 11 LYS CB C 11 34.009 34.009 33.792 0.217 25663 1615 1 4 . 1 1 11 11 LYS H H 11 8.040 8.040 8.215 -0.175 25663 1616 1 4 . 1 1 12 12 TYR N N 12 122.956 122.956 117.896 5.060 25663 1617 1 4 . 1 1 12 12 TYR HA H 12 3.990 3.990 4.124 -0.134 25663 1618 1 4 . 1 1 12 12 TYR C C 12 173.905 173.905 176.168 -2.263 25663 1619 1 4 . 1 1 12 12 TYR CA C 12 54.397 54.397 59.411 -5.014 25663 1620 1 4 . 1 1 12 12 TYR CB C 12 32.105 32.105 35.601 -3.496 25663 1621 1 4 . 1 1 12 12 TYR H H 12 9.830 9.830 9.346 0.484 25663 1622 1 4 . 1 1 13 13 LYS N N 13 114.683 114.683 119.367 -4.684 25663 1623 1 4 . 1 1 13 13 LYS HA H 13 4.577 4.577 4.282 0.295 25663 1624 1 4 . 1 1 13 13 LYS C C 13 176.999 176.999 175.396 1.603 25663 1625 1 4 . 1 1 13 13 LYS CA C 13 55.014 55.014 56.522 -1.508 25663 1626 1 4 . 1 1 13 13 LYS CB C 13 35.021 35.021 30.939 4.082 25663 1627 1 4 . 1 1 13 13 LYS H H 13 8.445 8.445 8.253 0.192 25663 1628 1 4 . 1 1 14 14 LEU N N 14 123.176 123.176 121.458 1.718 25663 1629 1 4 . 1 1 14 14 LEU HA H 14 5.122 5.122 4.987 0.136 25663 1630 1 4 . 1 1 14 14 LEU C C 14 178.304 178.304 176.484 1.820 25663 1631 1 4 . 1 1 14 14 LEU CA C 14 54.800 54.800 53.528 1.272 25663 1632 1 4 . 1 1 14 14 LEU CB C 14 43.528 43.528 43.183 0.345 25663 1633 1 4 . 1 1 14 14 LEU H H 14 9.479 9.479 7.380 2.099 25663 1634 1 4 . 1 1 15 15 THR N N 15 116.144 116.144 118.150 -2.006 25663 1635 1 4 . 1 1 15 15 THR HA H 15 5.485 5.485 4.962 0.523 25663 1636 1 4 . 1 1 15 15 THR C C 15 174.697 174.697 175.030 -0.333 25663 1637 1 4 . 1 1 15 15 THR CA C 15 61.722 61.722 60.876 0.846 25663 1638 1 4 . 1 1 15 15 THR CB C 15 70.914 70.914 71.582 -0.668 25663 1639 1 4 . 1 1 15 15 THR H H 15 8.792 8.792 8.005 0.787 25663 1640 1 4 . 1 1 16 16 TYR N N 16 120.594 120.594 125.456 -4.862 25663 1641 1 4 . 1 1 16 16 TYR HA H 16 2.375 2.375 4.035 -1.660 25663 1642 1 4 . 1 1 16 16 TYR C C 16 176.133 176.133 176.906 -0.773 25663 1643 1 4 . 1 1 16 16 TYR CA C 16 61.408 61.408 63.371 -1.963 25663 1644 1 4 . 1 1 16 16 TYR CB C 16 36.889 36.889 38.303 -1.415 25663 1645 1 4 . 1 1 16 16 TYR H H 16 7.402 7.402 8.710 -1.308 25663 1646 1 4 . 1 1 17 17 ALA N N 17 118.108 118.108 119.972 -1.864 25663 1647 1 4 . 1 1 17 17 ALA HA H 17 3.509 3.509 3.810 -0.301 25663 1648 1 4 . 1 1 17 17 ALA C C 17 181.575 181.575 179.567 2.008 25663 1649 1 4 . 1 1 17 17 ALA CA C 17 54.732 54.732 55.144 -0.412 25663 1650 1 4 . 1 1 17 17 ALA CB C 17 18.124 18.124 18.022 0.102 25663 1651 1 4 . 1 1 17 17 ALA H H 17 8.545 8.545 8.482 0.063 25663 1652 1 4 . 1 1 18 18 GLU N N 18 117.696 117.696 118.633 -0.937 25663 1653 1 4 . 1 1 18 18 GLU HA H 18 3.879 3.879 4.011 -0.132 25663 1654 1 4 . 1 1 18 18 GLU C C 18 178.624 178.624 178.842 -0.218 25663 1655 1 4 . 1 1 18 18 GLU CA C 18 58.432 58.432 59.035 -0.603 25663 1656 1 4 . 1 1 18 18 GLU CB C 18 30.814 30.814 29.443 1.371 25663 1657 1 4 . 1 1 18 18 GLU H H 18 7.327 7.327 8.261 -0.934 25663 1658 1 4 . 1 1 19 19 ALA N N 19 124.629 124.629 121.565 3.064 25663 1659 1 4 . 1 1 19 19 ALA HA H 19 3.871 3.871 3.962 -0.091 25663 1660 1 4 . 1 1 19 19 ALA C C 19 177.371 177.371 179.118 -1.747 25663 1661 1 4 . 1 1 19 19 ALA CA C 19 54.955 54.955 54.997 -0.042 25663 1662 1 4 . 1 1 19 19 ALA CB C 19 19.893 19.893 18.310 1.583 25663 1663 1 4 . 1 1 19 19 ALA H H 19 8.744 8.744 8.424 0.320 25663 1664 1 4 . 1 1 20 20 LYS N N 20 117.842 117.842 117.964 -0.122 25663 1665 1 4 . 1 1 20 20 LYS HA H 20 3.435 3.435 3.880 -0.445 25663 1666 1 4 . 1 1 20 20 LYS C C 20 178.017 178.017 177.273 0.744 25663 1667 1 4 . 1 1 20 20 LYS CA C 20 60.086 60.086 58.563 1.523 25663 1668 1 4 . 1 1 20 20 LYS CB C 20 33.186 33.186 31.845 1.341 25663 1669 1 4 . 1 1 20 20 LYS H H 20 8.188 8.188 7.425 0.763 25663 1670 1 4 . 1 1 21 21 ALA N N 21 117.564 117.564 120.684 -3.120 25663 1671 1 4 . 1 1 21 21 ALA HA H 21 4.040 4.040 4.239 -0.199 25663 1672 1 4 . 1 1 21 21 ALA C C 21 180.598 180.598 179.169 1.429 25663 1673 1 4 . 1 1 21 21 ALA CA C 21 54.991 54.991 54.364 0.627 25663 1674 1 4 . 1 1 21 21 ALA CB C 21 18.071 18.071 18.941 -0.870 25663 1675 1 4 . 1 1 21 21 ALA H H 21 7.382 7.382 7.473 -0.091 25663 1676 1 4 . 1 1 22 22 VAL N N 22 120.351 120.351 116.519 3.832 25663 1677 1 4 . 1 1 22 22 VAL HA H 22 3.883 3.883 3.763 0.120 25663 1678 1 4 . 1 1 22 22 VAL C C 22 177.921 177.921 176.315 1.606 25663 1679 1 4 . 1 1 22 22 VAL CA C 22 66.242 66.242 65.724 0.518 25663 1680 1 4 . 1 1 22 22 VAL CB C 22 31.136 31.136 31.868 -0.732 25663 1681 1 4 . 1 1 22 22 VAL H H 22 8.203 8.203 7.468 0.735 25663 1682 1 4 . 1 1 23 23 CYS N N 23 116.368 116.368 115.548 0.820 25663 1683 1 4 . 1 1 23 23 CYS HA H 23 4.352 4.352 4.652 -0.300 25663 1684 1 4 . 1 1 23 23 CYS C C 23 178.687 178.687 174.152 4.535 25663 1685 1 4 . 1 1 23 23 CYS CA C 23 55.224 55.224 57.849 -2.626 25663 1686 1 4 . 1 1 23 23 CYS CB C 23 33.542 33.542 28.940 4.602 25663 1687 1 4 . 1 1 23 23 CYS H H 23 7.788 7.788 7.981 -0.193 25663 1688 1 4 . 1 1 24 24 GLU N N 24 120.341 120.341 119.795 0.546 25663 1689 1 4 . 1 1 24 24 GLU HA H 24 4.259 4.259 4.063 0.196 25663 1690 1 4 . 1 1 24 24 GLU C C 24 180.516 180.516 177.559 2.957 25663 1691 1 4 . 1 1 24 24 GLU CA C 24 58.412 58.412 58.602 -0.190 25663 1692 1 4 . 1 1 24 24 GLU CB C 24 28.855 28.855 29.447 -0.592 25663 1693 1 4 . 1 1 24 24 GLU H H 24 8.196 8.196 8.920 -0.724 25663 1694 1 4 . 1 1 25 25 PHE N N 25 124.937 124.937 119.492 5.445 25663 1695 1 4 . 1 1 25 25 PHE HA H 25 4.267 4.267 4.225 0.042 25663 1696 1 4 . 1 1 25 25 PHE C C 25 177.593 177.593 176.377 1.216 25663 1697 1 4 . 1 1 25 25 PHE CA C 25 60.845 60.845 60.958 -0.113 25663 1698 1 4 . 1 1 25 25 PHE CB C 25 39.035 39.035 39.319 -0.284 25663 1699 1 4 . 1 1 25 25 PHE H H 25 8.946 8.946 8.489 0.457 25663 1700 1 4 . 1 1 26 26 GLU N N 26 114.486 114.486 118.603 -4.117 25663 1701 1 4 . 1 1 26 26 GLU HA H 26 4.090 4.090 4.271 -0.181 25663 1702 1 4 . 1 1 26 26 GLU C C 26 175.712 175.712 177.299 -1.587 25663 1703 1 4 . 1 1 26 26 GLU CA C 26 56.249 56.249 56.176 0.073 25663 1704 1 4 . 1 1 26 26 GLU CB C 26 29.418 29.418 28.832 0.586 25663 1705 1 4 . 1 1 26 26 GLU H H 26 7.359 7.359 8.410 -1.051 25663 1706 1 4 . 1 1 27 27 GLY N N 27 106.503 106.503 108.224 -1.721 25663 1707 1 4 . 1 1 27 27 GLY C C 27 174.107 174.107 175.349 -1.242 25663 1708 1 4 . 1 1 27 27 GLY CA C 27 45.426 45.426 44.892 0.534 25663 1709 1 4 . 1 1 27 27 GLY H H 27 7.695 7.695 7.935 -0.240 25663 1710 1 4 . 1 1 28 28 GLY N N 28 109.515 109.515 107.988 1.527 25663 1711 1 4 . 1 1 28 28 GLY C C 28 172.079 172.079 173.236 -1.157 25663 1712 1 4 . 1 1 28 28 GLY CA C 28 43.788 43.788 44.658 -0.870 25663 1713 1 4 . 1 1 28 28 GLY H H 28 7.745 7.745 7.921 -0.176 25663 1714 1 4 . 1 1 29 29 HIS N N 29 116.220 116.220 117.374 -1.154 25663 1715 1 4 . 1 1 29 29 HIS HA H 29 4.865 4.865 4.742 0.123 25663 1716 1 4 . 1 1 29 29 HIS C C 29 174.118 174.118 173.561 0.557 25663 1717 1 4 . 1 1 29 29 HIS CA C 29 54.169 54.169 55.866 -1.697 25663 1718 1 4 . 1 1 29 29 HIS CB C 29 33.436 33.436 32.394 1.042 25663 1719 1 4 . 1 1 29 29 HIS H H 29 8.412 8.412 8.583 -0.171 25663 1720 1 4 . 1 1 30 30 LEU N N 30 124.046 124.046 123.946 0.100 25663 1721 1 4 . 1 1 30 30 LEU HA H 30 4.912 4.912 4.239 0.673 25663 1722 1 4 . 1 1 30 30 LEU C C 30 178.158 178.158 177.147 1.011 25663 1723 1 4 . 1 1 30 30 LEU CA C 30 56.817 56.817 55.193 1.624 25663 1724 1 4 . 1 1 30 30 LEU CB C 30 42.534 42.534 42.372 0.162 25663 1725 1 4 . 1 1 30 30 LEU H H 30 9.399 9.399 7.745 1.654 25663 1726 1 4 . 1 1 31 31 ALA N N 31 126.730 126.730 125.350 1.380 25663 1727 1 4 . 1 1 31 31 ALA HA H 31 4.403 4.403 4.139 0.264 25663 1728 1 4 . 1 1 31 31 ALA C C 31 176.879 176.879 177.432 -0.553 25663 1729 1 4 . 1 1 31 31 ALA CA C 31 52.006 52.006 52.495 -0.489 25663 1730 1 4 . 1 1 31 31 ALA CB C 31 19.593 19.593 18.738 0.855 25663 1731 1 4 . 1 1 31 31 ALA H H 31 9.331 9.331 8.467 0.864 25663 1732 1 4 . 1 1 32 32 THR N N 32 111.206 111.206 119.088 -7.882 25663 1733 1 4 . 1 1 32 32 THR HA H 32 4.528 4.528 4.373 0.155 25663 1734 1 4 . 1 1 32 32 THR C C 32 174.899 174.899 175.500 -0.601 25663 1735 1 4 . 1 1 32 32 THR CA C 32 59.818 59.818 61.059 -1.241 25663 1736 1 4 . 1 1 32 32 THR CB C 32 70.949 70.949 70.979 -0.030 25663 1737 1 4 . 1 1 32 32 THR H H 32 8.511 8.511 7.773 0.738 25663 1738 1 4 . 1 1 33 33 TYR N N 33 121.971 121.971 123.993 -2.022 25663 1739 1 4 . 1 1 33 33 TYR HA H 33 3.745 3.745 4.065 -0.320 25663 1740 1 4 . 1 1 33 33 TYR C C 33 176.176 176.176 177.500 -1.324 25663 1741 1 4 . 1 1 33 33 TYR CA C 33 62.320 62.320 63.116 -0.796 25663 1742 1 4 . 1 1 33 33 TYR CB C 33 38.737 38.737 38.678 0.059 25663 1743 1 4 . 1 1 33 33 TYR H H 33 8.623 8.623 9.104 -0.481 25663 1744 1 4 . 1 1 34 34 LYS N N 34 116.509 116.509 118.915 -2.406 25663 1745 1 4 . 1 1 34 34 LYS HA H 34 3.905 3.905 3.757 0.148 25663 1746 1 4 . 1 1 34 34 LYS C C 34 180.207 180.207 178.695 1.512 25663 1747 1 4 . 1 1 34 34 LYS CA C 34 59.854 59.854 59.542 0.312 25663 1748 1 4 . 1 1 34 34 LYS CB C 34 32.743 32.743 31.837 0.906 25663 1749 1 4 . 1 1 34 34 LYS H H 34 8.284 8.284 8.143 0.141 25663 1750 1 4 . 1 1 35 35 GLN N N 35 119.270 119.270 117.892 1.378 25663 1751 1 4 . 1 1 35 35 GLN HA H 35 3.822 3.822 4.007 -0.185 25663 1752 1 4 . 1 1 35 35 GLN C C 35 179.050 179.050 178.713 0.337 25663 1753 1 4 . 1 1 35 35 GLN CA C 35 58.402 58.402 58.274 0.128 25663 1754 1 4 . 1 1 35 35 GLN CB C 35 26.715 26.715 28.316 -1.601 25663 1755 1 4 . 1 1 35 35 GLN H H 35 7.747 7.747 8.002 -0.255 25663 1756 1 4 . 1 1 36 36 LEU N N 36 122.992 122.992 119.646 3.346 25663 1757 1 4 . 1 1 36 36 LEU HA H 36 3.891 3.891 3.784 0.107 25663 1758 1 4 . 1 1 36 36 LEU C C 36 177.812 177.812 178.487 -0.675 25663 1759 1 4 . 1 1 36 36 LEU CA C 36 58.166 58.166 57.840 0.326 25663 1760 1 4 . 1 1 36 36 LEU CB C 36 41.981 41.981 41.824 0.157 25663 1761 1 4 . 1 1 36 36 LEU H H 36 8.473 8.473 8.428 0.045 25663 1762 1 4 . 1 1 37 37 GLU N N 37 120.512 120.512 119.316 1.196 25663 1763 1 4 . 1 1 37 37 GLU HA H 37 4.244 4.244 3.881 0.363 25663 1764 1 4 . 1 1 37 37 GLU C C 37 177.984 177.984 177.968 0.016 25663 1765 1 4 . 1 1 37 37 GLU CA C 37 58.018 58.018 59.230 -1.212 25663 1766 1 4 . 1 1 37 37 GLU CB C 37 28.236 28.236 28.432 -0.196 25663 1767 1 4 . 1 1 37 37 GLU H H 37 8.526 8.526 7.871 0.655 25663 1768 1 4 . 1 1 38 38 ALA N N 38 121.256 121.256 121.242 0.014 25663 1769 1 4 . 1 1 38 38 ALA HA H 38 3.995 3.995 4.072 -0.077 25663 1770 1 4 . 1 1 38 38 ALA C C 38 180.513 180.513 178.613 1.900 25663 1771 1 4 . 1 1 38 38 ALA CA C 38 54.968 54.968 54.449 0.519 25663 1772 1 4 . 1 1 38 38 ALA CB C 38 17.792 17.792 17.771 0.021 25663 1773 1 4 . 1 1 38 38 ALA H H 38 7.806 7.806 7.366 0.440 25663 1774 1 4 . 1 1 39 39 ALA N N 39 120.185 120.185 119.999 0.186 25663 1775 1 4 . 1 1 39 39 ALA HA H 39 4.164 4.164 4.045 0.119 25663 1776 1 4 . 1 1 39 39 ALA C C 39 180.063 180.063 180.117 -0.054 25663 1777 1 4 . 1 1 39 39 ALA CA C 39 54.064 54.064 53.903 0.161 25663 1778 1 4 . 1 1 39 39 ALA CB C 39 17.883 17.883 18.910 -1.026 25663 1779 1 4 . 1 1 39 39 ALA H H 39 7.495 7.495 7.355 0.140 25663 1780 1 4 . 1 1 40 40 ARG N N 40 124.604 124.604 118.524 6.080 25663 1781 1 4 . 1 1 40 40 ARG HA H 40 4.658 4.658 4.442 0.216 25663 1782 1 4 . 1 1 40 40 ARG C C 40 180.610 180.610 179.215 1.395 25663 1783 1 4 . 1 1 40 40 ARG CA C 40 58.559 58.559 58.078 0.481 25663 1784 1 4 . 1 1 40 40 ARG CB C 40 30.707 30.707 29.541 1.166 25663 1785 1 4 . 1 1 40 40 ARG H H 40 8.789 8.789 7.693 1.096 25663 1786 1 4 . 1 1 41 41 LYS N N 41 117.810 117.810 119.482 -1.672 25663 1787 1 4 . 1 1 41 41 LYS HA H 41 3.925 3.925 4.231 -0.306 25663 1788 1 4 . 1 1 41 41 LYS C C 41 178.134 178.134 177.651 0.483 25663 1789 1 4 . 1 1 41 41 LYS CA C 41 59.409 59.409 58.437 0.972 25663 1790 1 4 . 1 1 41 41 LYS CB C 41 32.786 32.786 32.332 0.454 25663 1791 1 4 . 1 1 41 41 LYS H H 41 8.267 8.267 7.784 0.483 25663 1792 1 4 . 1 1 42 42 ILE N N 42 110.889 110.889 118.570 -7.681 25663 1793 1 4 . 1 1 42 42 ILE HA H 42 4.581 4.581 4.182 0.399 25663 1794 1 4 . 1 1 42 42 ILE C C 42 176.527 176.527 176.320 0.207 25663 1795 1 4 . 1 1 42 42 ILE CA C 42 60.751 60.751 61.518 -0.767 25663 1796 1 4 . 1 1 42 42 ILE CB C 42 37.739 37.739 38.208 -0.469 25663 1797 1 4 . 1 1 42 42 ILE H H 42 7.263 7.263 7.970 -0.707 25663 1798 1 4 . 1 1 43 43 GLY N N 43 108.366 108.366 108.639 -0.273 25663 1799 1 4 . 1 1 43 43 GLY C C 43 173.880 173.880 174.388 -0.508 25663 1800 1 4 . 1 1 43 43 GLY CA C 43 45.585 45.585 44.815 0.770 25663 1801 1 4 . 1 1 43 43 GLY H H 43 7.816 7.816 7.495 0.321 25663 1802 1 4 . 1 1 44 44 PHE N N 44 125.650 125.650 122.622 3.028 25663 1803 1 4 . 1 1 44 44 PHE HA H 44 4.510 4.510 4.436 0.074 25663 1804 1 4 . 1 1 44 44 PHE C C 44 171.183 171.183 174.467 -3.284 25663 1805 1 4 . 1 1 44 44 PHE CA C 44 59.012 59.012 59.059 -0.047 25663 1806 1 4 . 1 1 44 44 PHE CB C 44 39.986 39.986 40.080 -0.094 25663 1807 1 4 . 1 1 44 44 PHE H H 44 8.003 8.003 7.649 0.354 25663 1808 1 4 . 1 1 45 45 HIS N N 45 126.999 126.999 127.720 -0.721 25663 1809 1 4 . 1 1 45 45 HIS HA H 45 4.728 4.728 4.716 0.012 25663 1810 1 4 . 1 1 45 45 HIS C C 45 175.134 175.134 173.181 1.953 25663 1811 1 4 . 1 1 45 45 HIS CA C 45 55.539 55.539 55.164 0.375 25663 1812 1 4 . 1 1 45 45 HIS CB C 45 34.586 34.586 30.751 3.835 25663 1813 1 4 . 1 1 45 45 HIS H H 45 7.326 7.326 8.052 -0.726 25663 1814 1 4 . 1 1 46 46 VAL N N 46 126.425 126.425 127.078 -0.653 25663 1815 1 4 . 1 1 46 46 VAL HA H 46 3.665 3.665 3.883 -0.218 25663 1816 1 4 . 1 1 46 46 VAL CA C 46 61.647 61.647 61.241 0.406 25663 1817 1 4 . 1 1 46 46 VAL CB C 46 35.141 35.141 34.891 0.250 25663 1818 1 4 . 1 1 46 46 VAL H H 46 8.147 8.147 8.141 0.006 25663 1819 1 4 . 1 1 47 47 CYS N N 47 127.308 127.308 128.358 -1.050 25663 1820 1 4 . 1 1 47 47 CYS HA H 47 4.470 4.470 4.656 -0.186 25663 1821 1 4 . 1 1 47 47 CYS C C 47 172.533 172.533 173.943 -1.410 25663 1822 1 4 . 1 1 47 47 CYS CA C 47 55.259 55.259 57.939 -2.680 25663 1823 1 4 . 1 1 47 47 CYS CB C 47 44.867 44.867 24.888 19.979 25663 1824 1 4 . 1 1 47 47 CYS H H 47 8.675 8.675 8.585 0.090 25663 1825 1 4 . 1 1 48 48 ALA N N 48 120.376 120.376 129.601 -9.225 25663 1826 1 4 . 1 1 48 48 ALA HA H 48 4.278 4.278 4.677 -0.399 25663 1827 1 4 . 1 1 48 48 ALA C C 48 173.936 173.936 174.505 -0.569 25663 1828 1 4 . 1 1 48 48 ALA CA C 48 51.286 51.286 51.841 -0.555 25663 1829 1 4 . 1 1 48 48 ALA CB C 48 19.831 19.831 21.951 -2.120 25663 1830 1 4 . 1 1 48 48 ALA H H 48 6.500 6.500 7.797 -1.297 25663 1831 1 4 . 1 1 49 49 ALA N N 49 130.715 130.715 122.735 7.980 25663 1832 1 4 . 1 1 49 49 ALA HA H 49 3.834 3.834 4.778 -0.944 25663 1833 1 4 . 1 1 49 49 ALA C C 49 176.061 176.061 175.490 0.571 25663 1834 1 4 . 1 1 49 49 ALA CA C 49 53.466 53.466 50.908 2.558 25663 1835 1 4 . 1 1 49 49 ALA CB C 49 18.332 18.332 21.373 -3.041 25663 1836 1 4 . 1 1 49 49 ALA H H 49 8.424 8.424 8.318 0.106 25663 1837 1 4 . 1 1 50 50 GLY N N 50 107.085 107.085 109.038 -1.953 25663 1838 1 4 . 1 1 50 50 GLY C C 50 170.793 170.793 172.297 -1.504 25663 1839 1 4 . 1 1 50 50 GLY CA C 50 43.792 43.792 44.281 -0.489 25663 1840 1 4 . 1 1 50 50 GLY H H 50 8.746 8.746 7.939 0.807 25663 1841 1 4 . 1 1 51 51 TRP N N 51 121.565 121.565 119.540 2.025 25663 1842 1 4 . 1 1 51 51 TRP HA H 51 4.960 4.960 5.216 -0.256 25663 1843 1 4 . 1 1 51 51 TRP C C 51 174.095 174.095 176.256 -2.161 25663 1844 1 4 . 1 1 51 51 TRP CA C 51 58.852 58.852 57.094 1.758 25663 1845 1 4 . 1 1 51 51 TRP CB C 51 32.034 32.034 31.731 0.303 25663 1846 1 4 . 1 1 51 51 TRP H H 51 8.596 8.596 7.520 1.076 25663 1847 1 4 . 1 1 52 52 MET N N 52 118.713 118.713 114.440 4.273 25663 1848 1 4 . 1 1 52 52 MET HA H 52 4.945 4.945 5.187 -0.242 25663 1849 1 4 . 1 1 52 52 MET C C 52 174.575 174.575 174.586 -0.011 25663 1850 1 4 . 1 1 52 52 MET CA C 52 54.277 54.277 53.737 0.540 25663 1851 1 4 . 1 1 52 52 MET CB C 52 39.146 39.146 35.898 3.248 25663 1852 1 4 . 1 1 52 52 MET H H 52 9.116 9.116 8.646 0.470 25663 1853 1 4 . 1 1 53 53 ALA N N 53 120.116 120.116 121.518 -1.402 25663 1854 1 4 . 1 1 53 53 ALA HA H 53 4.186 4.186 4.222 -0.036 25663 1855 1 4 . 1 1 53 53 ALA C C 53 178.250 178.250 178.775 -0.525 25663 1856 1 4 . 1 1 53 53 ALA CA C 53 53.791 53.791 54.217 -0.426 25663 1857 1 4 . 1 1 53 53 ALA CB C 53 19.462 19.462 19.011 0.451 25663 1858 1 4 . 1 1 53 53 ALA H H 53 8.517 8.517 8.684 -0.167 25663 1859 1 4 . 1 1 54 54 LYS N N 54 112.641 112.641 119.925 -7.284 25663 1860 1 4 . 1 1 54 54 LYS HA H 54 3.857 3.857 3.897 -0.040 25663 1861 1 4 . 1 1 54 54 LYS C C 54 175.913 175.913 176.313 -0.400 25663 1862 1 4 . 1 1 54 54 LYS CA C 54 57.608 57.608 57.343 0.265 25663 1863 1 4 . 1 1 54 54 LYS CB C 54 29.796 29.796 30.817 -1.021 25663 1864 1 4 . 1 1 54 54 LYS H H 54 8.866 8.866 9.181 -0.315 25663 1865 1 4 . 1 1 55 55 GLY N N 55 104.227 104.227 104.877 -0.650 25663 1866 1 4 . 1 1 55 55 GLY C C 55 173.820 173.820 174.759 -0.939 25663 1867 1 4 . 1 1 55 55 GLY CA C 55 45.933 45.933 45.422 0.511 25663 1868 1 4 . 1 1 55 55 GLY H H 55 8.239 8.239 8.263 -0.024 25663 1869 1 4 . 1 1 56 56 ARG N N 56 122.045 122.045 118.976 3.069 25663 1870 1 4 . 1 1 56 56 ARG HA H 56 4.771 4.771 4.225 0.546 25663 1871 1 4 . 1 1 56 56 ARG C C 56 173.828 173.828 174.456 -0.628 25663 1872 1 4 . 1 1 56 56 ARG CA C 56 55.010 55.010 57.036 -2.026 25663 1873 1 4 . 1 1 56 56 ARG CB C 56 31.939 31.939 31.937 0.002 25663 1874 1 4 . 1 1 56 56 ARG H H 56 6.825 6.825 7.950 -1.125 25663 1875 1 4 . 1 1 57 57 VAL N N 57 122.581 122.581 122.126 0.455 25663 1876 1 4 . 1 1 57 57 VAL HA H 57 4.632 4.632 4.693 -0.061 25663 1877 1 4 . 1 1 57 57 VAL C C 57 173.775 173.775 173.647 0.128 25663 1878 1 4 . 1 1 57 57 VAL CA C 57 59.946 59.946 60.170 -0.224 25663 1879 1 4 . 1 1 57 57 VAL CB C 57 35.191 35.191 34.358 0.833 25663 1880 1 4 . 1 1 57 57 VAL H H 57 7.084 7.084 7.709 -0.625 25663 1881 1 4 . 1 1 58 58 GLY N N 58 112.994 112.994 114.140 -1.146 25663 1882 1 4 . 1 1 58 58 GLY C C 58 171.431 171.431 172.050 -0.619 25663 1883 1 4 . 1 1 58 58 GLY CA C 58 46.285 46.285 43.359 2.926 25663 1884 1 4 . 1 1 58 58 GLY H H 58 8.112 8.112 7.671 0.441 25663 1885 1 4 . 1 1 59 59 TYR N N 59 111.540 111.540 116.139 -4.599 25663 1886 1 4 . 1 1 59 59 TYR HA H 59 4.337 4.337 4.955 -0.618 25663 1887 1 4 . 1 1 59 59 TYR CA C 59 55.972 55.972 55.007 0.965 25663 1888 1 4 . 1 1 59 59 TYR CB C 59 34.363 34.363 38.556 -4.193 25663 1889 1 4 . 1 1 59 59 TYR H H 59 7.796 7.796 8.563 -0.767 25663 1890 1 4 . 1 1 60 60 PRO HA H 60 4.497 4.497 4.445 0.052 25663 1891 1 4 . 1 1 60 60 PRO CA C 60 62.231 62.231 63.908 -1.677 25663 1892 1 4 . 1 1 60 60 PRO CB C 60 33.314 33.314 31.441 1.873 25663 1893 1 4 . 1 1 61 61 ILE HA H 61 4.444 4.444 4.459 -0.015 25663 1894 1 4 . 1 1 61 61 ILE CA C 61 56.601 56.601 60.596 -3.995 25663 1895 1 4 . 1 1 61 61 ILE CB C 61 38.417 38.417 41.531 -3.114 25663 1896 1 4 . 1 1 62 62 VAL HA H 62 3.935 3.935 3.815 0.120 25663 1897 1 4 . 1 1 62 62 VAL CA C 62 64.377 64.377 64.636 -0.259 25663 1898 1 4 . 1 1 62 62 VAL CB C 62 34.087 34.087 32.201 1.886 25663 1899 1 4 . 1 1 62 62 VAL H H 62 11.229 11.229 8.536 2.693 25663 1900 1 4 . 1 1 63 63 LYS N N 63 122.578 122.578 113.794 8.784 25663 1901 1 4 . 1 1 63 63 LYS HA H 63 4.753 4.753 4.553 0.200 25663 1902 1 4 . 1 1 63 63 LYS CA C 63 52.473 52.473 53.036 -0.563 25663 1903 1 4 . 1 1 63 63 LYS CB C 63 32.983 32.983 32.746 0.237 25663 1904 1 4 . 1 1 63 63 LYS H H 63 7.501 7.501 7.538 -0.037 25663 1905 1 4 . 1 1 64 64 PRO HA H 64 4.362 4.362 4.624 -0.262 25663 1906 1 4 . 1 1 64 64 PRO CA C 64 63.124 63.124 63.011 0.113 25663 1907 1 4 . 1 1 64 64 PRO CB C 64 32.121 32.121 32.094 0.027 25663 1908 1 4 . 1 1 65 65 GLY CA C 65 45.512 45.512 43.711 1.801 25663 1909 1 4 . 1 1 65 65 GLY H H 65 8.377 8.377 7.667 0.710 25663 1910 1 4 . 1 1 66 66 PRO HA H 66 4.010 4.010 4.456 -0.446 25663 1911 1 4 . 1 1 66 66 PRO C C 66 177.072 177.072 177.518 -0.446 25663 1912 1 4 . 1 1 66 66 PRO CA C 66 64.765 64.765 64.439 0.326 25663 1913 1 4 . 1 1 66 66 PRO CB C 66 32.121 32.121 32.206 -0.085 25663 1914 1 4 . 1 1 67 67 ASN N N 67 114.419 114.419 118.055 -3.636 25663 1915 1 4 . 1 1 67 67 ASN HA H 67 4.995 4.995 4.576 0.419 25663 1916 1 4 . 1 1 67 67 ASN C C 67 173.872 173.872 174.857 -0.985 25663 1917 1 4 . 1 1 67 67 ASN CA C 67 52.349 52.349 54.146 -1.797 25663 1918 1 4 . 1 1 67 67 ASN CB C 67 38.955 38.955 38.700 0.255 25663 1919 1 4 . 1 1 67 67 ASN H H 67 8.330 8.330 8.797 -0.467 25663 1920 1 4 . 1 1 68 68 CYS N N 68 118.995 118.995 117.303 1.692 25663 1921 1 4 . 1 1 68 68 CYS HA H 68 5.034 5.034 4.820 0.214 25663 1922 1 4 . 1 1 68 68 CYS CA C 68 54.247 54.247 55.781 -1.534 25663 1923 1 4 . 1 1 68 68 CYS CB C 68 44.260 44.260 28.678 15.582 25663 1924 1 4 . 1 1 68 68 CYS H H 68 7.327 7.327 7.626 -0.299 25663 1925 1 4 . 1 1 70 70 PHE HA H 70 4.305 4.305 3.985 0.320 25663 1926 1 4 . 1 1 70 70 PHE CA C 70 58.889 58.889 59.575 -0.686 25663 1927 1 4 . 1 1 70 70 PHE CB C 70 36.557 36.557 38.154 -1.597 25663 1928 1 4 . 1 1 71 71 GLY N N 71 105.368 105.368 106.809 -1.441 25663 1929 1 4 . 1 1 71 71 GLY CA C 71 46.043 46.043 44.936 1.107 25663 1930 1 4 . 1 1 71 71 GLY H H 71 7.339 7.339 8.275 -0.936 25663 1931 1 4 . 1 1 72 72 LYS N N 72 120.404 120.404 123.099 -2.695 25663 1932 1 4 . 1 1 72 72 LYS HA H 72 4.264 4.264 4.253 0.011 25663 1933 1 4 . 1 1 72 72 LYS C C 72 175.440 175.440 176.316 -0.876 25663 1934 1 4 . 1 1 72 72 LYS CA C 72 56.413 56.413 56.239 0.174 25663 1935 1 4 . 1 1 72 72 LYS CB C 72 33.686 33.686 33.210 0.476 25663 1936 1 4 . 1 1 72 72 LYS H H 72 6.946 6.946 8.211 -1.265 25663 1937 1 4 . 1 1 73 73 THR N N 73 110.334 110.334 112.431 -2.097 25663 1938 1 4 . 1 1 73 73 THR HA H 73 4.233 4.233 4.518 -0.285 25663 1939 1 4 . 1 1 73 73 THR C C 73 173.774 173.774 175.188 -1.414 25663 1940 1 4 . 1 1 73 73 THR CA C 73 60.879 60.879 61.688 -0.809 25663 1941 1 4 . 1 1 73 73 THR CB C 73 70.841 70.841 70.720 0.121 25663 1942 1 4 . 1 1 73 73 THR H H 73 7.911 7.911 8.004 -0.093 25663 1943 1 4 . 1 1 74 74 GLY N N 74 109.589 109.589 112.047 -2.458 25663 1944 1 4 . 1 1 74 74 GLY C C 74 172.715 172.715 174.765 -2.050 25663 1945 1 4 . 1 1 74 74 GLY CA C 74 43.404 43.404 44.533 -1.129 25663 1946 1 4 . 1 1 74 74 GLY H H 74 7.904 7.904 7.801 0.103 25663 1947 1 4 . 1 1 75 75 ILE N N 75 120.787 120.787 120.763 0.024 25663 1948 1 4 . 1 1 75 75 ILE HA H 75 4.221 4.221 4.039 0.182 25663 1949 1 4 . 1 1 75 75 ILE C C 75 176.249 176.249 176.574 -0.325 25663 1950 1 4 . 1 1 75 75 ILE CA C 75 59.422 59.422 61.999 -2.577 25663 1951 1 4 . 1 1 75 75 ILE CB C 75 36.008 36.008 38.184 -2.175 25663 1952 1 4 . 1 1 75 75 ILE H H 75 8.265 8.265 8.277 -0.012 25663 1953 1 4 . 1 1 76 76 ILE N N 76 134.542 134.542 129.295 5.247 25663 1954 1 4 . 1 1 76 76 ILE HA H 76 3.587 3.587 4.154 -0.567 25663 1955 1 4 . 1 1 76 76 ILE C C 76 173.769 173.769 175.712 -1.943 25663 1956 1 4 . 1 1 76 76 ILE CA C 76 59.599 59.599 61.008 -1.409 25663 1957 1 4 . 1 1 76 76 ILE CB C 76 33.139 33.139 38.497 -5.358 25663 1958 1 4 . 1 1 76 76 ILE H H 76 8.660 8.660 8.535 0.125 25663 1959 1 4 . 1 1 77 77 ASP N N 77 126.213 126.213 127.119 -0.906 25663 1960 1 4 . 1 1 77 77 ASP HA H 77 4.790 4.790 4.542 0.248 25663 1961 1 4 . 1 1 77 77 ASP C C 77 176.390 176.390 175.507 0.883 25663 1962 1 4 . 1 1 77 77 ASP CA C 77 52.927 52.927 54.565 -1.638 25663 1963 1 4 . 1 1 77 77 ASP CB C 77 44.224 44.224 41.170 3.054 25663 1964 1 4 . 1 1 77 77 ASP H H 77 7.925 7.925 8.396 -0.471 25663 1965 1 4 . 1 1 78 78 TYR N N 78 126.424 126.424 120.851 5.573 25663 1966 1 4 . 1 1 78 78 TYR HA H 78 4.780 4.780 4.602 0.178 25663 1967 1 4 . 1 1 78 78 TYR C C 78 177.025 177.025 175.912 1.113 25663 1968 1 4 . 1 1 78 78 TYR CA C 78 54.257 54.257 57.061 -2.804 25663 1969 1 4 . 1 1 78 78 TYR CB C 78 36.513 36.513 41.933 -5.420 25663 1970 1 4 . 1 1 78 78 TYR H H 78 9.313 9.313 8.092 1.221 25663 1971 1 4 . 1 1 79 79 GLY N N 79 110.776 110.776 108.909 1.867 25663 1972 1 4 . 1 1 79 79 GLY C C 79 172.389 172.389 173.674 -1.285 25663 1973 1 4 . 1 1 79 79 GLY CA C 79 44.317 44.317 43.897 0.420 25663 1974 1 4 . 1 1 79 79 GLY H H 79 8.880 8.880 8.455 0.425 25663 1975 1 4 . 1 1 80 80 ILE N N 80 117.437 117.437 121.617 -4.180 25663 1976 1 4 . 1 1 80 80 ILE HA H 80 3.897 3.897 4.162 -0.265 25663 1977 1 4 . 1 1 80 80 ILE C C 80 177.495 177.495 175.496 1.999 25663 1978 1 4 . 1 1 80 80 ILE CA C 80 61.293 61.293 61.009 0.284 25663 1979 1 4 . 1 1 80 80 ILE CB C 80 36.412 36.412 37.637 -1.225 25663 1980 1 4 . 1 1 80 80 ILE H H 80 8.189 8.189 8.272 -0.083 25663 1981 1 4 . 1 1 81 81 ARG N N 81 128.585 128.585 127.122 1.463 25663 1982 1 4 . 1 1 81 81 ARG HA H 81 4.367 4.367 4.351 0.016 25663 1983 1 4 . 1 1 81 81 ARG CA C 81 52.745 52.745 56.109 -3.364 25663 1984 1 4 . 1 1 81 81 ARG CB C 81 27.133 27.133 31.026 -3.893 25663 1985 1 4 . 1 1 81 81 ARG H H 81 8.367 8.367 8.252 0.115 25663 1986 1 4 . 1 1 82 82 LEU HA H 82 4.145 4.145 4.330 -0.185 25663 1987 1 4 . 1 1 82 82 LEU C C 82 177.546 177.546 176.968 0.578 25663 1988 1 4 . 1 1 82 82 LEU CA C 82 56.857 56.857 55.598 1.259 25663 1989 1 4 . 1 1 82 82 LEU CB C 82 42.266 42.266 41.932 0.334 25663 1990 1 4 . 1 1 82 82 LEU H H 82 8.226 8.226 8.582 -0.356 25663 1991 1 4 . 1 1 83 83 ASN N N 83 115.779 115.779 115.983 -0.204 25663 1992 1 4 . 1 1 83 83 ASN HA H 83 4.913 4.913 4.670 0.243 25663 1993 1 4 . 1 1 83 83 ASN C C 83 175.764 175.764 176.453 -0.689 25663 1994 1 4 . 1 1 83 83 ASN CA C 83 51.627 51.627 53.148 -1.521 25663 1995 1 4 . 1 1 83 83 ASN CB C 83 37.505 37.505 37.025 0.480 25663 1996 1 4 . 1 1 83 83 ASN H H 83 8.628 8.628 8.419 0.209 25663 1997 1 4 . 1 1 84 84 ARG N N 84 121.554 121.554 118.714 2.840 25663 1998 1 4 . 1 1 84 84 ARG HA H 84 4.637 4.637 3.442 1.195 25663 1999 1 4 . 1 1 84 84 ARG C C 84 177.197 177.197 176.545 0.652 25663 2000 1 4 . 1 1 84 84 ARG CA C 84 56.695 56.695 57.978 -1.283 25663 2001 1 4 . 1 1 84 84 ARG CB C 84 29.361 29.361 28.997 0.364 25663 2002 1 4 . 1 1 84 84 ARG H H 84 8.593 8.593 8.042 0.551 25663 2003 1 4 . 1 1 85 85 SER N N 85 116.623 116.623 111.166 5.457 25663 2004 1 4 . 1 1 85 85 SER HA H 85 4.628 4.628 4.551 0.077 25663 2005 1 4 . 1 1 85 85 SER C C 85 174.403 174.403 174.950 -0.547 25663 2006 1 4 . 1 1 85 85 SER CA C 85 58.827 58.827 58.218 0.609 25663 2007 1 4 . 1 1 85 85 SER CB C 85 62.996 62.996 64.050 -1.054 25663 2008 1 4 . 1 1 85 85 SER H H 85 8.567 8.567 7.971 0.596 25663 2009 1 4 . 1 1 86 86 GLU N N 86 121.171 121.171 123.453 -2.282 25663 2010 1 4 . 1 1 86 86 GLU HA H 86 3.864 3.864 4.548 -0.684 25663 2011 1 4 . 1 1 86 86 GLU C C 86 174.422 174.422 175.474 -1.052 25663 2012 1 4 . 1 1 86 86 GLU CA C 86 57.520 57.520 55.833 1.687 25663 2013 1 4 . 1 1 86 86 GLU CB C 86 31.292 31.292 32.127 -0.835 25663 2014 1 4 . 1 1 86 86 GLU H H 86 7.219 7.219 8.412 -1.193 25663 2015 1 4 . 1 1 87 87 ARG N N 87 118.124 118.124 122.243 -4.119 25663 2016 1 4 . 1 1 87 87 ARG HA H 87 4.687 4.687 4.560 0.127 25663 2017 1 4 . 1 1 87 87 ARG C C 87 173.408 173.408 175.764 -2.356 25663 2018 1 4 . 1 1 87 87 ARG CA C 87 54.387 54.387 56.718 -2.331 25663 2019 1 4 . 1 1 87 87 ARG CB C 87 31.544 31.544 31.238 0.306 25663 2020 1 4 . 1 1 87 87 ARG H H 87 7.263 7.263 8.562 -1.299 25663 2021 1 4 . 1 1 88 88 TRP N N 88 121.383 121.383 123.410 -2.027 25663 2022 1 4 . 1 1 88 88 TRP HA H 88 4.899 4.899 4.742 0.157 25663 2023 1 4 . 1 1 88 88 TRP CA C 88 54.508 54.508 57.054 -2.546 25663 2024 1 4 . 1 1 88 88 TRP CB C 88 33.610 33.610 31.825 1.785 25663 2025 1 4 . 1 1 88 88 TRP H H 88 8.811 8.811 8.476 0.335 25663 2026 1 4 . 1 1 89 89 ASP N N 89 119.285 119.285 119.062 0.223 25663 2027 1 4 . 1 1 89 89 ASP HA H 89 5.602 5.602 4.742 0.860 25663 2028 1 4 . 1 1 89 89 ASP C C 89 173.648 173.648 174.600 -0.952 25663 2029 1 4 . 1 1 89 89 ASP CA C 89 54.558 54.558 53.155 1.403 25663 2030 1 4 . 1 1 89 89 ASP CB C 89 40.438 40.438 42.663 -2.225 25663 2031 1 4 . 1 1 89 89 ASP H H 89 8.552 8.552 8.272 0.280 25663 2032 1 4 . 1 1 90 90 ALA N N 90 121.014 121.014 118.333 2.681 25663 2033 1 4 . 1 1 90 90 ALA HA H 90 5.095 5.095 4.430 0.665 25663 2034 1 4 . 1 1 90 90 ALA C C 90 175.076 175.076 174.692 0.384 25663 2035 1 4 . 1 1 90 90 ALA CA C 90 52.089 52.089 51.474 0.615 25663 2036 1 4 . 1 1 90 90 ALA CB C 90 23.118 23.118 21.727 1.391 25663 2037 1 4 . 1 1 90 90 ALA H H 90 8.449 8.449 8.032 0.417 25663 2038 1 4 . 1 1 91 91 TYR N N 91 118.243 118.243 117.745 0.498 25663 2039 1 4 . 1 1 91 91 TYR HA H 91 5.072 5.072 4.942 0.130 25663 2040 1 4 . 1 1 91 91 TYR C C 91 174.671 174.671 175.597 -0.926 25663 2041 1 4 . 1 1 91 91 TYR CA C 91 58.787 58.787 57.186 1.601 25663 2042 1 4 . 1 1 91 91 TYR CB C 91 40.686 40.686 41.345 -0.659 25663 2043 1 4 . 1 1 91 91 TYR H H 91 8.421 8.421 8.281 0.140 25663 2044 1 4 . 1 1 92 92 CYS N N 92 119.931 119.931 119.643 0.288 25663 2045 1 4 . 1 1 92 92 CYS HA H 92 5.263 5.263 4.857 0.406 25663 2046 1 4 . 1 1 92 92 CYS C C 92 172.698 172.698 172.400 0.298 25663 2047 1 4 . 1 1 92 92 CYS CA C 92 50.601 50.601 57.800 -7.199 25663 2048 1 4 . 1 1 92 92 CYS CB C 92 37.818 37.818 31.322 6.496 25663 2049 1 4 . 1 1 92 92 CYS H H 92 8.459 8.459 9.013 -0.554 25663 2050 1 4 . 1 1 93 93 TYR N N 93 120.805 120.805 121.881 -1.076 25663 2051 1 4 . 1 1 93 93 TYR HA H 93 4.903 4.903 4.933 -0.030 25663 2052 1 4 . 1 1 93 93 TYR C C 93 173.902 173.902 172.851 1.051 25663 2053 1 4 . 1 1 93 93 TYR CA C 93 57.096 57.096 57.913 -0.817 25663 2054 1 4 . 1 1 93 93 TYR CB C 93 41.665 41.665 40.297 1.368 25663 2055 1 4 . 1 1 93 93 TYR H H 93 9.410 9.410 8.649 0.761 25663 2056 1 4 . 1 1 94 94 ASN N N 94 124.511 124.511 125.782 -1.271 25663 2057 1 4 . 1 1 94 94 ASN HA H 94 4.774 4.774 5.083 -0.309 25663 2058 1 4 . 1 1 94 94 ASN CA C 94 49.599 49.599 51.313 -1.714 25663 2059 1 4 . 1 1 94 94 ASN CB C 94 41.642 41.642 39.575 2.067 25663 2060 1 4 . 1 1 94 94 ASN H H 94 7.832 7.832 7.803 0.029 25663 2061 1 4 . 1 1 95 95 PRO HA H 95 4.141 4.141 4.225 -0.084 25663 2062 1 4 . 1 1 95 95 PRO C C 95 176.345 176.345 176.105 0.240 25663 2063 1 4 . 1 1 95 95 PRO CA C 95 63.800 63.800 64.193 -0.393 25663 2064 1 4 . 1 1 95 95 PRO CB C 95 32.046 32.046 31.547 0.499 25663 2065 1 4 . 1 1 96 96 HIS N N 96 116.009 116.009 119.462 -3.453 25663 2066 1 4 . 1 1 96 96 HIS HA H 96 4.623 4.623 4.477 0.146 25663 2067 1 4 . 1 1 96 96 HIS C C 96 173.999 173.999 174.972 -0.973 25663 2068 1 4 . 1 1 96 96 HIS CA C 96 55.046 55.046 55.893 -0.847 25663 2069 1 4 . 1 1 96 96 HIS CB C 96 28.821 28.821 30.524 -1.703 25663 2070 1 4 . 1 1 96 96 HIS H H 96 8.354 8.354 7.515 0.839 25663 2071 1 4 . 1 1 97 97 ALA N N 97 123.775 123.775 121.648 2.127 25663 2072 1 4 . 1 1 97 97 ALA HA H 97 4.269 4.269 3.926 0.343 25663 2073 1 4 . 1 1 97 97 ALA C C 97 176.350 176.350 176.550 -0.200 25663 2074 1 4 . 1 1 97 97 ALA CA C 97 51.796 51.796 52.629 -0.833 25663 2075 1 4 . 1 1 97 97 ALA CB C 97 19.648 19.648 18.180 1.468 25663 2076 1 4 . 1 1 97 97 ALA H H 97 7.387 7.387 8.377 -0.990 25663 2077 1 5 . 1 1 2 2 VAL N N 2 122.742 122.742 120.929 1.813 25663 2078 1 5 . 1 1 2 2 VAL HA H 2 5.257 5.257 4.691 0.566 25663 2079 1 5 . 1 1 2 2 VAL C C 2 174.533 174.533 174.656 -0.123 25663 2080 1 5 . 1 1 2 2 VAL CA C 2 60.536 60.536 61.425 -0.889 25663 2081 1 5 . 1 1 2 2 VAL CB C 2 33.278 33.278 34.469 -1.191 25663 2082 1 5 . 1 1 2 2 VAL H H 2 8.486 8.486 8.102 0.384 25663 2083 1 5 . 1 1 3 3 TYR N N 3 120.172 120.172 128.142 -7.970 25663 2084 1 5 . 1 1 3 3 TYR HA H 3 4.964 4.964 4.848 0.116 25663 2085 1 5 . 1 1 3 3 TYR C C 3 173.399 173.399 174.629 -1.230 25663 2086 1 5 . 1 1 3 3 TYR CA C 3 56.073 56.073 56.999 -0.926 25663 2087 1 5 . 1 1 3 3 TYR CB C 3 40.278 40.278 40.765 -0.487 25663 2088 1 5 . 1 1 3 3 TYR H H 3 8.715 8.715 8.351 0.364 25663 2089 1 5 . 1 1 4 4 HIS N N 4 121.237 121.237 124.235 -2.998 25663 2090 1 5 . 1 1 4 4 HIS HA H 4 4.929 4.929 4.819 0.110 25663 2091 1 5 . 1 1 4 4 HIS C C 4 172.844 172.844 173.970 -1.126 25663 2092 1 5 . 1 1 4 4 HIS CA C 4 54.154 54.154 55.773 -1.619 25663 2093 1 5 . 1 1 4 4 HIS CB C 4 30.961 30.961 30.661 0.300 25663 2094 1 5 . 1 1 4 4 HIS H H 4 9.414 9.414 8.225 1.189 25663 2095 1 5 . 1 1 5 5 ARG N N 5 128.770 128.770 121.708 7.062 25663 2096 1 5 . 1 1 5 5 ARG HA H 5 4.619 4.619 4.610 0.009 25663 2097 1 5 . 1 1 5 5 ARG C C 5 172.967 172.967 175.570 -2.603 25663 2098 1 5 . 1 1 5 5 ARG CA C 5 53.177 53.177 54.787 -1.610 25663 2099 1 5 . 1 1 5 5 ARG CB C 5 33.832 33.832 32.581 1.251 25663 2100 1 5 . 1 1 5 5 ARG H H 5 8.805 8.805 8.646 0.159 25663 2101 1 5 . 1 1 6 6 GLU N N 6 121.037 121.037 121.968 -0.931 25663 2102 1 5 . 1 1 6 6 GLU HA H 6 4.490 4.490 4.502 -0.012 25663 2103 1 5 . 1 1 6 6 GLU C C 6 176.264 176.264 174.666 1.598 25663 2104 1 5 . 1 1 6 6 GLU CA C 6 53.336 53.336 56.165 -2.829 25663 2105 1 5 . 1 1 6 6 GLU CB C 6 33.133 33.133 31.656 1.477 25663 2106 1 5 . 1 1 6 6 GLU H H 6 8.232 8.232 8.545 -0.313 25663 2107 1 5 . 1 1 7 7 ALA N N 7 123.438 123.438 127.319 -3.881 25663 2108 1 5 . 1 1 7 7 ALA HA H 7 4.215 4.215 4.337 -0.122 25663 2109 1 5 . 1 1 7 7 ALA C C 7 178.419 178.419 177.432 0.987 25663 2110 1 5 . 1 1 7 7 ALA CA C 7 52.182 52.182 52.688 -0.506 25663 2111 1 5 . 1 1 7 7 ALA CB C 7 20.128 20.128 19.380 0.748 25663 2112 1 5 . 1 1 7 7 ALA H H 7 8.756 8.756 8.478 0.278 25663 2113 1 5 . 1 1 8 8 ARG N N 8 122.559 122.559 122.133 0.426 25663 2114 1 5 . 1 1 8 8 ARG HA H 8 3.998 3.998 4.185 -0.187 25663 2115 1 5 . 1 1 8 8 ARG C C 8 177.448 177.448 176.590 0.858 25663 2116 1 5 . 1 1 8 8 ARG CA C 8 58.660 58.660 58.061 0.599 25663 2117 1 5 . 1 1 8 8 ARG CB C 8 29.406 29.406 30.376 -0.970 25663 2118 1 5 . 1 1 8 8 ARG H H 8 8.945 8.945 8.740 0.205 25663 2119 1 5 . 1 1 9 9 SER N N 9 107.309 107.309 111.774 -4.465 25663 2120 1 5 . 1 1 9 9 SER HA H 9 4.261 4.261 4.643 -0.382 25663 2121 1 5 . 1 1 9 9 SER C C 9 174.411 174.411 173.460 0.951 25663 2122 1 5 . 1 1 9 9 SER CA C 9 58.081 58.081 57.414 0.667 25663 2123 1 5 . 1 1 9 9 SER CB C 9 62.972 62.972 63.909 -0.937 25663 2124 1 5 . 1 1 9 9 SER H H 9 7.445 7.445 8.209 -0.764 25663 2125 1 5 . 1 1 10 10 GLY N N 10 109.574 109.574 110.321 -0.747 25663 2126 1 5 . 1 1 10 10 GLY C C 10 171.580 171.580 172.050 -0.470 25663 2127 1 5 . 1 1 10 10 GLY CA C 10 44.036 44.036 45.216 -1.180 25663 2128 1 5 . 1 1 10 10 GLY H H 10 7.379 7.379 7.298 0.081 25663 2129 1 5 . 1 1 11 11 LYS N N 11 121.683 121.683 117.070 4.613 25663 2130 1 5 . 1 1 11 11 LYS HA H 11 3.993 3.993 3.951 0.042 25663 2131 1 5 . 1 1 11 11 LYS C C 11 175.995 175.995 174.375 1.620 25663 2132 1 5 . 1 1 11 11 LYS CA C 11 57.374 57.374 55.606 1.768 25663 2133 1 5 . 1 1 11 11 LYS CB C 11 34.009 34.009 32.667 1.341 25663 2134 1 5 . 1 1 11 11 LYS H H 11 8.040 8.040 8.075 -0.035 25663 2135 1 5 . 1 1 12 12 TYR N N 12 122.956 122.956 115.444 7.512 25663 2136 1 5 . 1 1 12 12 TYR HA H 12 3.990 3.990 4.207 -0.217 25663 2137 1 5 . 1 1 12 12 TYR C C 12 173.905 173.905 175.117 -1.212 25663 2138 1 5 . 1 1 12 12 TYR CA C 12 54.397 54.397 58.421 -4.024 25663 2139 1 5 . 1 1 12 12 TYR CB C 12 32.105 32.105 35.564 -3.459 25663 2140 1 5 . 1 1 12 12 TYR H H 12 9.830 9.830 8.331 1.499 25663 2141 1 5 . 1 1 13 13 LYS N N 13 114.683 114.683 118.049 -3.366 25663 2142 1 5 . 1 1 13 13 LYS HA H 13 4.577 4.577 4.233 0.344 25663 2143 1 5 . 1 1 13 13 LYS C C 13 176.999 176.999 174.979 2.020 25663 2144 1 5 . 1 1 13 13 LYS CA C 13 55.014 55.014 56.667 -1.653 25663 2145 1 5 . 1 1 13 13 LYS CB C 13 35.021 35.021 30.415 4.606 25663 2146 1 5 . 1 1 13 13 LYS H H 13 8.445 8.445 8.231 0.214 25663 2147 1 5 . 1 1 14 14 LEU N N 14 123.176 123.176 122.589 0.587 25663 2148 1 5 . 1 1 14 14 LEU HA H 14 5.122 5.122 5.166 -0.044 25663 2149 1 5 . 1 1 14 14 LEU C C 14 178.304 178.304 176.846 1.458 25663 2150 1 5 . 1 1 14 14 LEU CA C 14 54.800 54.800 53.855 0.945 25663 2151 1 5 . 1 1 14 14 LEU CB C 14 43.528 43.528 45.434 -1.906 25663 2152 1 5 . 1 1 14 14 LEU H H 14 9.479 9.479 8.342 1.137 25663 2153 1 5 . 1 1 15 15 THR N N 15 116.144 116.144 115.554 0.590 25663 2154 1 5 . 1 1 15 15 THR HA H 15 5.485 5.485 4.822 0.663 25663 2155 1 5 . 1 1 15 15 THR C C 15 174.697 174.697 175.025 -0.328 25663 2156 1 5 . 1 1 15 15 THR CA C 15 61.722 61.722 59.635 2.087 25663 2157 1 5 . 1 1 15 15 THR CB C 15 70.914 70.914 71.985 -1.071 25663 2158 1 5 . 1 1 15 15 THR H H 15 8.792 8.792 9.145 -0.353 25663 2159 1 5 . 1 1 16 16 TYR N N 16 120.594 120.594 124.005 -3.411 25663 2160 1 5 . 1 1 16 16 TYR HA H 16 2.375 2.375 4.110 -1.735 25663 2161 1 5 . 1 1 16 16 TYR C C 16 176.133 176.133 176.804 -0.671 25663 2162 1 5 . 1 1 16 16 TYR CA C 16 61.408 61.408 63.047 -1.639 25663 2163 1 5 . 1 1 16 16 TYR CB C 16 36.889 36.889 38.173 -1.284 25663 2164 1 5 . 1 1 16 16 TYR H H 16 7.402 7.402 8.643 -1.241 25663 2165 1 5 . 1 1 17 17 ALA N N 17 118.108 118.108 119.997 -1.889 25663 2166 1 5 . 1 1 17 17 ALA HA H 17 3.509 3.509 3.772 -0.263 25663 2167 1 5 . 1 1 17 17 ALA C C 17 181.575 181.575 179.609 1.966 25663 2168 1 5 . 1 1 17 17 ALA CA C 17 54.732 54.732 54.784 -0.052 25663 2169 1 5 . 1 1 17 17 ALA CB C 17 18.124 18.124 18.181 -0.057 25663 2170 1 5 . 1 1 17 17 ALA H H 17 8.545 8.545 8.243 0.302 25663 2171 1 5 . 1 1 18 18 GLU N N 18 117.696 117.696 118.953 -1.257 25663 2172 1 5 . 1 1 18 18 GLU HA H 18 3.879 3.879 3.998 -0.119 25663 2173 1 5 . 1 1 18 18 GLU C C 18 178.624 178.624 179.381 -0.757 25663 2174 1 5 . 1 1 18 18 GLU CA C 18 58.432 58.432 58.802 -0.370 25663 2175 1 5 . 1 1 18 18 GLU CB C 18 30.814 30.814 29.750 1.065 25663 2176 1 5 . 1 1 18 18 GLU H H 18 7.327 7.327 7.584 -0.257 25663 2177 1 5 . 1 1 19 19 ALA N N 19 124.629 124.629 122.621 2.008 25663 2178 1 5 . 1 1 19 19 ALA HA H 19 3.871 3.871 4.008 -0.137 25663 2179 1 5 . 1 1 19 19 ALA C C 19 177.371 177.371 178.879 -1.508 25663 2180 1 5 . 1 1 19 19 ALA CA C 19 54.955 54.955 55.309 -0.354 25663 2181 1 5 . 1 1 19 19 ALA CB C 19 19.893 19.893 18.234 1.659 25663 2182 1 5 . 1 1 19 19 ALA H H 19 8.744 8.744 8.725 0.019 25663 2183 1 5 . 1 1 20 20 LYS N N 20 117.842 117.842 117.282 0.560 25663 2184 1 5 . 1 1 20 20 LYS HA H 20 3.435 3.435 3.912 -0.477 25663 2185 1 5 . 1 1 20 20 LYS C C 20 178.017 178.017 177.710 0.307 25663 2186 1 5 . 1 1 20 20 LYS CA C 20 60.086 60.086 58.938 1.148 25663 2187 1 5 . 1 1 20 20 LYS CB C 20 33.186 33.186 32.264 0.922 25663 2188 1 5 . 1 1 20 20 LYS H H 20 8.188 8.188 7.509 0.679 25663 2189 1 5 . 1 1 21 21 ALA N N 21 117.564 117.564 121.288 -3.724 25663 2190 1 5 . 1 1 21 21 ALA HA H 21 4.040 4.040 4.122 -0.082 25663 2191 1 5 . 1 1 21 21 ALA C C 21 180.598 180.598 179.547 1.051 25663 2192 1 5 . 1 1 21 21 ALA CA C 21 54.991 54.991 54.644 0.347 25663 2193 1 5 . 1 1 21 21 ALA CB C 21 18.071 18.071 18.666 -0.595 25663 2194 1 5 . 1 1 21 21 ALA H H 21 7.382 7.382 7.610 -0.228 25663 2195 1 5 . 1 1 22 22 VAL N N 22 120.351 120.351 116.642 3.709 25663 2196 1 5 . 1 1 22 22 VAL HA H 22 3.883 3.883 3.770 0.113 25663 2197 1 5 . 1 1 22 22 VAL C C 22 177.921 177.921 176.477 1.444 25663 2198 1 5 . 1 1 22 22 VAL CA C 22 66.242 66.242 65.472 0.770 25663 2199 1 5 . 1 1 22 22 VAL CB C 22 31.136 31.136 31.699 -0.563 25663 2200 1 5 . 1 1 22 22 VAL H H 22 8.203 8.203 7.468 0.735 25663 2201 1 5 . 1 1 23 23 CYS N N 23 116.368 116.368 114.096 2.272 25663 2202 1 5 . 1 1 23 23 CYS HA H 23 4.352 4.352 5.080 -0.729 25663 2203 1 5 . 1 1 23 23 CYS C C 23 178.687 178.687 175.962 2.725 25663 2204 1 5 . 1 1 23 23 CYS CA C 23 55.224 55.224 57.090 -1.866 25663 2205 1 5 . 1 1 23 23 CYS CB C 23 33.542 33.542 29.462 4.080 25663 2206 1 5 . 1 1 23 23 CYS H H 23 7.788 7.788 7.732 0.056 25663 2207 1 5 . 1 1 24 24 GLU N N 24 120.341 120.341 119.801 0.540 25663 2208 1 5 . 1 1 24 24 GLU HA H 24 4.259 4.259 3.720 0.539 25663 2209 1 5 . 1 1 24 24 GLU C C 24 180.516 180.516 177.286 3.230 25663 2210 1 5 . 1 1 24 24 GLU CA C 24 58.412 58.412 58.687 -0.275 25663 2211 1 5 . 1 1 24 24 GLU CB C 24 28.855 28.855 28.877 -0.022 25663 2212 1 5 . 1 1 24 24 GLU H H 24 8.196 8.196 9.147 -0.951 25663 2213 1 5 . 1 1 25 25 PHE N N 25 124.937 124.937 121.611 3.326 25663 2214 1 5 . 1 1 25 25 PHE HA H 25 4.267 4.267 4.226 0.041 25663 2215 1 5 . 1 1 25 25 PHE C C 25 177.593 177.593 176.297 1.296 25663 2216 1 5 . 1 1 25 25 PHE CA C 25 60.845 60.845 60.719 0.126 25663 2217 1 5 . 1 1 25 25 PHE CB C 25 39.035 39.035 39.198 -0.163 25663 2218 1 5 . 1 1 25 25 PHE H H 25 8.946 8.946 7.645 1.301 25663 2219 1 5 . 1 1 26 26 GLU N N 26 114.486 114.486 118.918 -4.432 25663 2220 1 5 . 1 1 26 26 GLU HA H 26 4.090 4.090 4.184 -0.094 25663 2221 1 5 . 1 1 26 26 GLU C C 26 175.712 175.712 177.207 -1.495 25663 2222 1 5 . 1 1 26 26 GLU CA C 26 56.249 56.249 56.080 0.170 25663 2223 1 5 . 1 1 26 26 GLU CB C 26 29.418 29.418 28.695 0.723 25663 2224 1 5 . 1 1 26 26 GLU H H 26 7.359 7.359 8.335 -0.976 25663 2225 1 5 . 1 1 27 27 GLY N N 27 106.503 106.503 108.686 -2.183 25663 2226 1 5 . 1 1 27 27 GLY C C 27 174.107 174.107 174.070 0.037 25663 2227 1 5 . 1 1 27 27 GLY CA C 27 45.426 45.426 45.376 0.050 25663 2228 1 5 . 1 1 27 27 GLY H H 27 7.695 7.695 7.717 -0.022 25663 2229 1 5 . 1 1 28 28 GLY N N 28 109.515 109.515 109.148 0.367 25663 2230 1 5 . 1 1 28 28 GLY C C 28 172.079 172.079 173.600 -1.521 25663 2231 1 5 . 1 1 28 28 GLY CA C 28 43.788 43.788 44.156 -0.368 25663 2232 1 5 . 1 1 28 28 GLY H H 28 7.745 7.745 7.985 -0.240 25663 2233 1 5 . 1 1 29 29 HIS N N 29 116.220 116.220 122.816 -6.596 25663 2234 1 5 . 1 1 29 29 HIS HA H 29 4.865 4.865 4.652 0.213 25663 2235 1 5 . 1 1 29 29 HIS C C 29 174.118 174.118 175.502 -1.384 25663 2236 1 5 . 1 1 29 29 HIS CA C 29 54.169 54.169 55.158 -0.989 25663 2237 1 5 . 1 1 29 29 HIS CB C 29 33.436 33.436 32.968 0.468 25663 2238 1 5 . 1 1 29 29 HIS H H 29 8.412 8.412 8.229 0.183 25663 2239 1 5 . 1 1 30 30 LEU N N 30 124.046 124.046 120.462 3.584 25663 2240 1 5 . 1 1 30 30 LEU HA H 30 4.912 4.912 4.346 0.566 25663 2241 1 5 . 1 1 30 30 LEU C C 30 178.158 178.158 178.011 0.147 25663 2242 1 5 . 1 1 30 30 LEU CA C 30 56.817 56.817 54.887 1.930 25663 2243 1 5 . 1 1 30 30 LEU CB C 30 42.534 42.534 42.376 0.158 25663 2244 1 5 . 1 1 30 30 LEU H H 30 9.399 9.399 8.525 0.874 25663 2245 1 5 . 1 1 31 31 ALA N N 31 126.730 126.730 124.971 1.759 25663 2246 1 5 . 1 1 31 31 ALA HA H 31 4.403 4.403 4.203 0.200 25663 2247 1 5 . 1 1 31 31 ALA C C 31 176.879 176.879 177.522 -0.643 25663 2248 1 5 . 1 1 31 31 ALA CA C 31 52.006 52.006 52.765 -0.759 25663 2249 1 5 . 1 1 31 31 ALA CB C 31 19.593 19.593 19.207 0.386 25663 2250 1 5 . 1 1 31 31 ALA H H 31 9.331 9.331 8.362 0.969 25663 2251 1 5 . 1 1 32 32 THR N N 32 111.206 111.206 114.527 -3.321 25663 2252 1 5 . 1 1 32 32 THR HA H 32 4.528 4.528 4.608 -0.080 25663 2253 1 5 . 1 1 32 32 THR C C 32 174.899 174.899 175.109 -0.210 25663 2254 1 5 . 1 1 32 32 THR CA C 32 59.818 59.818 58.888 0.930 25663 2255 1 5 . 1 1 32 32 THR CB C 32 70.949 70.949 71.015 -0.066 25663 2256 1 5 . 1 1 32 32 THR H H 32 8.511 8.511 7.968 0.543 25663 2257 1 5 . 1 1 33 33 TYR N N 33 121.971 121.971 122.634 -0.663 25663 2258 1 5 . 1 1 33 33 TYR HA H 33 3.745 3.745 4.095 -0.350 25663 2259 1 5 . 1 1 33 33 TYR C C 33 176.176 176.176 177.248 -1.072 25663 2260 1 5 . 1 1 33 33 TYR CA C 33 62.320 62.320 62.986 -0.666 25663 2261 1 5 . 1 1 33 33 TYR CB C 33 38.737 38.737 38.645 0.092 25663 2262 1 5 . 1 1 33 33 TYR H H 33 8.623 8.623 8.906 -0.283 25663 2263 1 5 . 1 1 34 34 LYS N N 34 116.509 116.509 118.165 -1.656 25663 2264 1 5 . 1 1 34 34 LYS HA H 34 3.905 3.905 4.002 -0.097 25663 2265 1 5 . 1 1 34 34 LYS C C 34 180.207 180.207 179.299 0.908 25663 2266 1 5 . 1 1 34 34 LYS CA C 34 59.854 59.854 59.624 0.230 25663 2267 1 5 . 1 1 34 34 LYS CB C 34 32.743 32.743 32.141 0.602 25663 2268 1 5 . 1 1 34 34 LYS H H 34 8.284 8.284 8.323 -0.039 25663 2269 1 5 . 1 1 35 35 GLN N N 35 119.270 119.270 118.622 0.648 25663 2270 1 5 . 1 1 35 35 GLN HA H 35 3.822 3.822 4.045 -0.223 25663 2271 1 5 . 1 1 35 35 GLN C C 35 179.050 179.050 178.614 0.436 25663 2272 1 5 . 1 1 35 35 GLN CA C 35 58.402 58.402 58.459 -0.057 25663 2273 1 5 . 1 1 35 35 GLN CB C 35 26.715 26.715 28.796 -2.081 25663 2274 1 5 . 1 1 35 35 GLN H H 35 7.747 7.747 7.762 -0.015 25663 2275 1 5 . 1 1 36 36 LEU N N 36 122.992 122.992 120.883 2.109 25663 2276 1 5 . 1 1 36 36 LEU HA H 36 3.891 3.891 3.731 0.160 25663 2277 1 5 . 1 1 36 36 LEU C C 36 177.812 177.812 178.350 -0.538 25663 2278 1 5 . 1 1 36 36 LEU CA C 36 58.166 58.166 57.843 0.324 25663 2279 1 5 . 1 1 36 36 LEU CB C 36 41.981 41.981 41.630 0.350 25663 2280 1 5 . 1 1 36 36 LEU H H 36 8.473 8.473 8.575 -0.102 25663 2281 1 5 . 1 1 37 37 GLU N N 37 120.512 120.512 119.518 0.994 25663 2282 1 5 . 1 1 37 37 GLU HA H 37 4.244 4.244 3.759 0.485 25663 2283 1 5 . 1 1 37 37 GLU C C 37 177.984 177.984 178.557 -0.573 25663 2284 1 5 . 1 1 37 37 GLU CA C 37 58.018 58.018 59.993 -1.975 25663 2285 1 5 . 1 1 37 37 GLU CB C 37 28.236 28.236 29.307 -1.071 25663 2286 1 5 . 1 1 37 37 GLU H H 37 8.526 8.526 7.914 0.612 25663 2287 1 5 . 1 1 38 38 ALA N N 38 121.256 121.256 121.473 -0.217 25663 2288 1 5 . 1 1 38 38 ALA HA H 38 3.995 3.995 4.143 -0.148 25663 2289 1 5 . 1 1 38 38 ALA C C 38 180.513 180.513 178.942 1.571 25663 2290 1 5 . 1 1 38 38 ALA CA C 38 54.968 54.968 54.536 0.432 25663 2291 1 5 . 1 1 38 38 ALA CB C 38 17.792 17.792 17.959 -0.167 25663 2292 1 5 . 1 1 38 38 ALA H H 38 7.806 7.806 7.674 0.132 25663 2293 1 5 . 1 1 39 39 ALA N N 39 120.185 120.185 120.315 -0.130 25663 2294 1 5 . 1 1 39 39 ALA HA H 39 4.164 4.164 4.397 -0.233 25663 2295 1 5 . 1 1 39 39 ALA C C 39 180.063 180.063 179.661 0.402 25663 2296 1 5 . 1 1 39 39 ALA CA C 39 54.064 54.064 53.697 0.367 25663 2297 1 5 . 1 1 39 39 ALA CB C 39 17.883 17.883 18.790 -0.907 25663 2298 1 5 . 1 1 39 39 ALA H H 39 7.495 7.495 7.368 0.127 25663 2299 1 5 . 1 1 40 40 ARG N N 40 124.604 124.604 120.164 4.440 25663 2300 1 5 . 1 1 40 40 ARG HA H 40 4.658 4.658 4.152 0.506 25663 2301 1 5 . 1 1 40 40 ARG C C 40 180.610 180.610 178.399 2.211 25663 2302 1 5 . 1 1 40 40 ARG CA C 40 58.559 58.559 58.533 0.026 25663 2303 1 5 . 1 1 40 40 ARG CB C 40 30.707 30.707 29.740 0.967 25663 2304 1 5 . 1 1 40 40 ARG H H 40 8.789 8.789 8.681 0.108 25663 2305 1 5 . 1 1 41 41 LYS N N 41 117.810 117.810 118.549 -0.739 25663 2306 1 5 . 1 1 41 41 LYS HA H 41 3.925 3.925 4.234 -0.308 25663 2307 1 5 . 1 1 41 41 LYS C C 41 178.134 178.134 177.579 0.555 25663 2308 1 5 . 1 1 41 41 LYS CA C 41 59.409 59.409 57.502 1.907 25663 2309 1 5 . 1 1 41 41 LYS CB C 41 32.786 32.786 31.826 0.960 25663 2310 1 5 . 1 1 41 41 LYS H H 41 8.267 8.267 7.576 0.691 25663 2311 1 5 . 1 1 42 42 ILE N N 42 110.889 110.889 119.245 -8.356 25663 2312 1 5 . 1 1 42 42 ILE HA H 42 4.581 4.581 4.155 0.426 25663 2313 1 5 . 1 1 42 42 ILE C C 42 176.527 176.527 175.741 0.786 25663 2314 1 5 . 1 1 42 42 ILE CA C 42 60.751 60.751 61.295 -0.544 25663 2315 1 5 . 1 1 42 42 ILE CB C 42 37.739 37.739 38.355 -0.616 25663 2316 1 5 . 1 1 42 42 ILE H H 42 7.263 7.263 8.184 -0.921 25663 2317 1 5 . 1 1 43 43 GLY N N 43 108.366 108.366 108.904 -0.538 25663 2318 1 5 . 1 1 43 43 GLY C C 43 173.880 173.880 174.140 -0.260 25663 2319 1 5 . 1 1 43 43 GLY CA C 43 45.585 45.585 44.970 0.615 25663 2320 1 5 . 1 1 43 43 GLY H H 43 7.816 7.816 7.570 0.246 25663 2321 1 5 . 1 1 44 44 PHE N N 44 125.650 125.650 120.654 4.996 25663 2322 1 5 . 1 1 44 44 PHE HA H 44 4.510 4.510 4.393 0.117 25663 2323 1 5 . 1 1 44 44 PHE C C 44 171.183 171.183 174.474 -3.291 25663 2324 1 5 . 1 1 44 44 PHE CA C 44 59.012 59.012 59.223 -0.211 25663 2325 1 5 . 1 1 44 44 PHE CB C 44 39.986 39.986 40.123 -0.137 25663 2326 1 5 . 1 1 44 44 PHE H H 44 8.003 8.003 7.663 0.340 25663 2327 1 5 . 1 1 45 45 HIS N N 45 126.999 126.999 126.226 0.773 25663 2328 1 5 . 1 1 45 45 HIS HA H 45 4.728 4.728 4.779 -0.051 25663 2329 1 5 . 1 1 45 45 HIS C C 45 175.134 175.134 173.283 1.851 25663 2330 1 5 . 1 1 45 45 HIS CA C 45 55.539 55.539 55.685 -0.146 25663 2331 1 5 . 1 1 45 45 HIS CB C 45 34.586 34.586 30.955 3.631 25663 2332 1 5 . 1 1 45 45 HIS H H 45 7.326 7.326 7.833 -0.507 25663 2333 1 5 . 1 1 46 46 VAL N N 46 126.425 126.425 126.217 0.208 25663 2334 1 5 . 1 1 46 46 VAL HA H 46 3.665 3.665 3.990 -0.325 25663 2335 1 5 . 1 1 46 46 VAL CA C 46 61.647 61.647 61.385 0.262 25663 2336 1 5 . 1 1 46 46 VAL CB C 46 35.141 35.141 34.868 0.273 25663 2337 1 5 . 1 1 46 46 VAL H H 46 8.147 8.147 7.889 0.258 25663 2338 1 5 . 1 1 47 47 CYS N N 47 127.308 127.308 127.285 0.023 25663 2339 1 5 . 1 1 47 47 CYS HA H 47 4.470 4.470 4.524 -0.054 25663 2340 1 5 . 1 1 47 47 CYS C C 47 172.533 172.533 173.556 -1.023 25663 2341 1 5 . 1 1 47 47 CYS CA C 47 55.259 55.259 58.460 -3.201 25663 2342 1 5 . 1 1 47 47 CYS CB C 47 44.867 44.867 24.781 20.086 25663 2343 1 5 . 1 1 47 47 CYS H H 47 8.675 8.675 8.854 -0.179 25663 2344 1 5 . 1 1 48 48 ALA N N 48 120.376 120.376 126.923 -6.547 25663 2345 1 5 . 1 1 48 48 ALA HA H 48 4.278 4.278 4.343 -0.065 25663 2346 1 5 . 1 1 48 48 ALA C C 48 173.936 173.936 175.318 -1.382 25663 2347 1 5 . 1 1 48 48 ALA CA C 48 51.286 51.286 51.946 -0.660 25663 2348 1 5 . 1 1 48 48 ALA CB C 48 19.831 19.831 20.856 -1.025 25663 2349 1 5 . 1 1 48 48 ALA H H 48 6.500 6.500 7.744 -1.244 25663 2350 1 5 . 1 1 49 49 ALA N N 49 130.715 130.715 125.378 5.337 25663 2351 1 5 . 1 1 49 49 ALA HA H 49 3.834 3.834 4.752 -0.918 25663 2352 1 5 . 1 1 49 49 ALA C C 49 176.061 176.061 176.369 -0.308 25663 2353 1 5 . 1 1 49 49 ALA CA C 49 53.466 53.466 51.589 1.877 25663 2354 1 5 . 1 1 49 49 ALA CB C 49 18.332 18.332 19.852 -1.520 25663 2355 1 5 . 1 1 49 49 ALA H H 49 8.424 8.424 8.225 0.199 25663 2356 1 5 . 1 1 50 50 GLY N N 50 107.085 107.085 109.321 -2.236 25663 2357 1 5 . 1 1 50 50 GLY C C 50 170.793 170.793 172.941 -2.148 25663 2358 1 5 . 1 1 50 50 GLY CA C 50 43.792 43.792 43.629 0.163 25663 2359 1 5 . 1 1 50 50 GLY H H 50 8.746 8.746 8.083 0.663 25663 2360 1 5 . 1 1 51 51 TRP N N 51 121.565 121.565 122.167 -0.602 25663 2361 1 5 . 1 1 51 51 TRP HA H 51 4.960 4.960 4.621 0.339 25663 2362 1 5 . 1 1 51 51 TRP C C 51 174.095 174.095 176.352 -2.257 25663 2363 1 5 . 1 1 51 51 TRP CA C 51 58.852 58.852 57.722 1.129 25663 2364 1 5 . 1 1 51 51 TRP CB C 51 32.034 32.034 28.675 3.359 25663 2365 1 5 . 1 1 51 51 TRP H H 51 8.596 8.596 7.748 0.848 25663 2366 1 5 . 1 1 52 52 MET N N 52 118.713 118.713 123.593 -4.880 25663 2367 1 5 . 1 1 52 52 MET HA H 52 4.945 4.945 4.942 0.003 25663 2368 1 5 . 1 1 52 52 MET C C 52 174.575 174.575 176.418 -1.843 25663 2369 1 5 . 1 1 52 52 MET CA C 52 54.277 54.277 54.363 -0.086 25663 2370 1 5 . 1 1 52 52 MET CB C 52 39.146 39.146 35.560 3.586 25663 2371 1 5 . 1 1 52 52 MET H H 52 9.116 9.116 8.954 0.162 25663 2372 1 5 . 1 1 53 53 ALA N N 53 120.116 120.116 120.348 -0.232 25663 2373 1 5 . 1 1 53 53 ALA HA H 53 4.186 4.186 4.121 0.065 25663 2374 1 5 . 1 1 53 53 ALA C C 53 178.250 178.250 178.427 -0.177 25663 2375 1 5 . 1 1 53 53 ALA CA C 53 53.791 53.791 53.937 -0.146 25663 2376 1 5 . 1 1 53 53 ALA CB C 53 19.462 19.462 18.984 0.478 25663 2377 1 5 . 1 1 53 53 ALA H H 53 8.517 8.517 8.798 -0.281 25663 2378 1 5 . 1 1 54 54 LYS N N 54 112.641 112.641 119.849 -7.208 25663 2379 1 5 . 1 1 54 54 LYS HA H 54 3.857 3.857 3.864 -0.007 25663 2380 1 5 . 1 1 54 54 LYS C C 54 175.913 175.913 176.208 -0.295 25663 2381 1 5 . 1 1 54 54 LYS CA C 54 57.608 57.608 57.361 0.247 25663 2382 1 5 . 1 1 54 54 LYS CB C 54 29.796 29.796 30.961 -1.165 25663 2383 1 5 . 1 1 54 54 LYS H H 54 8.866 8.866 9.274 -0.408 25663 2384 1 5 . 1 1 55 55 GLY N N 55 104.227 104.227 104.227 0.000 25663 2385 1 5 . 1 1 55 55 GLY C C 55 173.820 173.820 173.796 0.024 25663 2386 1 5 . 1 1 55 55 GLY CA C 55 45.933 45.933 44.809 1.124 25663 2387 1 5 . 1 1 55 55 GLY H H 55 8.239 8.239 8.403 -0.164 25663 2388 1 5 . 1 1 56 56 ARG N N 56 122.045 122.045 120.306 1.739 25663 2389 1 5 . 1 1 56 56 ARG HA H 56 4.771 4.771 4.272 0.499 25663 2390 1 5 . 1 1 56 56 ARG C C 56 173.828 173.828 174.815 -0.987 25663 2391 1 5 . 1 1 56 56 ARG CA C 56 55.010 55.010 56.501 -1.491 25663 2392 1 5 . 1 1 56 56 ARG CB C 56 31.939 31.939 31.417 0.522 25663 2393 1 5 . 1 1 56 56 ARG H H 56 6.825 6.825 8.028 -1.203 25663 2394 1 5 . 1 1 57 57 VAL N N 57 122.581 122.581 126.456 -3.875 25663 2395 1 5 . 1 1 57 57 VAL HA H 57 4.632 4.632 4.946 -0.314 25663 2396 1 5 . 1 1 57 57 VAL C C 57 173.775 173.775 173.565 0.210 25663 2397 1 5 . 1 1 57 57 VAL CA C 57 59.946 59.946 59.281 0.665 25663 2398 1 5 . 1 1 57 57 VAL CB C 57 35.191 35.191 34.253 0.938 25663 2399 1 5 . 1 1 57 57 VAL H H 57 7.084 7.084 7.566 -0.482 25663 2400 1 5 . 1 1 58 58 GLY N N 58 112.994 112.994 114.315 -1.321 25663 2401 1 5 . 1 1 58 58 GLY C C 58 171.431 171.431 172.110 -0.679 25663 2402 1 5 . 1 1 58 58 GLY CA C 58 46.285 46.285 45.154 1.131 25663 2403 1 5 . 1 1 58 58 GLY H H 58 8.112 8.112 7.665 0.447 25663 2404 1 5 . 1 1 59 59 TYR N N 59 111.540 111.540 117.626 -6.086 25663 2405 1 5 . 1 1 59 59 TYR HA H 59 4.337 4.337 5.136 -0.799 25663 2406 1 5 . 1 1 59 59 TYR CA C 59 55.972 55.972 53.003 2.969 25663 2407 1 5 . 1 1 59 59 TYR CB C 59 34.363 34.363 38.594 -4.231 25663 2408 1 5 . 1 1 59 59 TYR H H 59 7.796 7.796 8.221 -0.425 25663 2409 1 5 . 1 1 60 60 PRO HA H 60 4.497 4.497 4.784 -0.287 25663 2410 1 5 . 1 1 60 60 PRO CA C 60 62.231 62.231 63.135 -0.904 25663 2411 1 5 . 1 1 60 60 PRO CB C 60 33.314 33.314 32.013 1.301 25663 2412 1 5 . 1 1 61 61 ILE HA H 61 4.444 4.444 4.900 -0.456 25663 2413 1 5 . 1 1 61 61 ILE CA C 61 56.601 56.601 59.657 -3.057 25663 2414 1 5 . 1 1 61 61 ILE CB C 61 38.417 38.417 41.611 -3.193 25663 2415 1 5 . 1 1 62 62 VAL HA H 62 3.935 3.935 3.757 0.178 25663 2416 1 5 . 1 1 62 62 VAL CA C 62 64.377 64.377 66.710 -2.333 25663 2417 1 5 . 1 1 62 62 VAL CB C 62 34.087 34.087 31.926 2.161 25663 2418 1 5 . 1 1 62 62 VAL H H 62 11.229 11.229 9.056 2.173 25663 2419 1 5 . 1 1 63 63 LYS N N 63 122.578 122.578 114.442 8.136 25663 2420 1 5 . 1 1 63 63 LYS HA H 63 4.753 4.753 4.490 0.263 25663 2421 1 5 . 1 1 63 63 LYS CA C 63 52.473 52.473 56.425 -3.952 25663 2422 1 5 . 1 1 63 63 LYS CB C 63 32.983 32.983 32.538 0.446 25663 2423 1 5 . 1 1 63 63 LYS H H 63 7.501 7.501 7.748 -0.247 25663 2424 1 5 . 1 1 64 64 PRO HA H 64 4.362 4.362 4.391 -0.029 25663 2425 1 5 . 1 1 64 64 PRO CA C 64 63.124 63.124 63.197 -0.073 25663 2426 1 5 . 1 1 64 64 PRO CB C 64 32.121 32.121 31.983 0.137 25663 2427 1 5 . 1 1 65 65 GLY CA C 65 45.512 45.512 45.016 0.496 25663 2428 1 5 . 1 1 65 65 GLY H H 65 8.377 8.377 8.323 0.054 25663 2429 1 5 . 1 1 66 66 PRO HA H 66 4.010 4.010 4.322 -0.312 25663 2430 1 5 . 1 1 66 66 PRO C C 66 177.072 177.072 177.520 -0.448 25663 2431 1 5 . 1 1 66 66 PRO CA C 66 64.765 64.765 64.676 0.089 25663 2432 1 5 . 1 1 66 66 PRO CB C 66 32.121 32.121 32.080 0.041 25663 2433 1 5 . 1 1 67 67 ASN N N 67 114.419 114.419 116.595 -2.176 25663 2434 1 5 . 1 1 67 67 ASN HA H 67 4.995 4.995 4.671 0.324 25663 2435 1 5 . 1 1 67 67 ASN C C 67 173.872 173.872 174.519 -0.647 25663 2436 1 5 . 1 1 67 67 ASN CA C 67 52.349 52.349 53.068 -0.719 25663 2437 1 5 . 1 1 67 67 ASN CB C 67 38.955 38.955 39.463 -0.508 25663 2438 1 5 . 1 1 67 67 ASN H H 67 8.330 8.330 8.878 -0.548 25663 2439 1 5 . 1 1 68 68 CYS N N 68 118.995 118.995 116.087 2.908 25663 2440 1 5 . 1 1 68 68 CYS HA H 68 5.034 5.034 4.704 0.330 25663 2441 1 5 . 1 1 68 68 CYS CA C 68 54.247 54.247 57.247 -3.000 25663 2442 1 5 . 1 1 68 68 CYS CB C 68 44.260 44.260 29.227 15.034 25663 2443 1 5 . 1 1 68 68 CYS H H 68 7.327 7.327 7.674 -0.347 25663 2444 1 5 . 1 1 70 70 PHE HA H 70 4.305 4.305 4.765 -0.460 25663 2445 1 5 . 1 1 70 70 PHE CA C 70 58.889 58.889 58.471 0.418 25663 2446 1 5 . 1 1 70 70 PHE CB C 70 36.557 36.557 39.944 -3.387 25663 2447 1 5 . 1 1 71 71 GLY N N 71 105.368 105.368 109.546 -4.178 25663 2448 1 5 . 1 1 71 71 GLY CA C 71 46.043 46.043 45.735 0.308 25663 2449 1 5 . 1 1 71 71 GLY H H 71 7.339 7.339 8.656 -1.317 25663 2450 1 5 . 1 1 72 72 LYS N N 72 120.404 120.404 116.262 4.142 25663 2451 1 5 . 1 1 72 72 LYS HA H 72 4.264 4.264 4.437 -0.173 25663 2452 1 5 . 1 1 72 72 LYS C C 72 175.440 175.440 174.017 1.423 25663 2453 1 5 . 1 1 72 72 LYS CA C 72 56.413 56.413 55.550 0.863 25663 2454 1 5 . 1 1 72 72 LYS CB C 72 33.686 33.686 32.826 0.860 25663 2455 1 5 . 1 1 72 72 LYS H H 72 6.946 6.946 7.866 -0.920 25663 2456 1 5 . 1 1 73 73 THR N N 73 110.334 110.334 110.854 -0.520 25663 2457 1 5 . 1 1 73 73 THR HA H 73 4.233 4.233 4.504 -0.271 25663 2458 1 5 . 1 1 73 73 THR C C 73 173.774 173.774 175.164 -1.390 25663 2459 1 5 . 1 1 73 73 THR CA C 73 60.879 60.879 60.648 0.231 25663 2460 1 5 . 1 1 73 73 THR CB C 73 70.841 70.841 70.711 0.130 25663 2461 1 5 . 1 1 73 73 THR H H 73 7.911 7.911 8.011 -0.100 25663 2462 1 5 . 1 1 74 74 GLY N N 74 109.589 109.589 109.184 0.405 25663 2463 1 5 . 1 1 74 74 GLY C C 74 172.715 172.715 174.299 -1.584 25663 2464 1 5 . 1 1 74 74 GLY CA C 74 43.404 43.404 45.370 -1.966 25663 2465 1 5 . 1 1 74 74 GLY H H 74 7.904 7.904 8.433 -0.529 25663 2466 1 5 . 1 1 75 75 ILE N N 75 120.787 120.787 117.153 3.634 25663 2467 1 5 . 1 1 75 75 ILE HA H 75 4.221 4.221 3.682 0.539 25663 2468 1 5 . 1 1 75 75 ILE C C 75 176.249 176.249 174.906 1.343 25663 2469 1 5 . 1 1 75 75 ILE CA C 75 59.422 59.422 62.752 -3.330 25663 2470 1 5 . 1 1 75 75 ILE CB C 75 36.008 36.008 37.727 -1.718 25663 2471 1 5 . 1 1 75 75 ILE H H 75 8.265 8.265 7.636 0.629 25663 2472 1 5 . 1 1 76 76 ILE N N 76 134.542 134.542 127.232 7.310 25663 2473 1 5 . 1 1 76 76 ILE HA H 76 3.587 3.587 4.461 -0.874 25663 2474 1 5 . 1 1 76 76 ILE C C 76 173.769 173.769 174.751 -0.982 25663 2475 1 5 . 1 1 76 76 ILE CA C 76 59.599 59.599 60.514 -0.916 25663 2476 1 5 . 1 1 76 76 ILE CB C 76 33.139 33.139 39.337 -6.198 25663 2477 1 5 . 1 1 76 76 ILE H H 76 8.660 8.660 8.623 0.037 25663 2478 1 5 . 1 1 77 77 ASP N N 77 126.213 126.213 128.438 -2.225 25663 2479 1 5 . 1 1 77 77 ASP HA H 77 4.790 4.790 4.879 -0.089 25663 2480 1 5 . 1 1 77 77 ASP C C 77 176.390 176.390 175.614 0.776 25663 2481 1 5 . 1 1 77 77 ASP CA C 77 52.927 52.927 53.801 -0.874 25663 2482 1 5 . 1 1 77 77 ASP CB C 77 44.224 44.224 40.734 3.490 25663 2483 1 5 . 1 1 77 77 ASP H H 77 7.925 7.925 8.752 -0.827 25663 2484 1 5 . 1 1 78 78 TYR N N 78 126.424 126.424 123.254 3.170 25663 2485 1 5 . 1 1 78 78 TYR HA H 78 4.780 4.780 4.467 0.313 25663 2486 1 5 . 1 1 78 78 TYR C C 78 177.025 177.025 175.870 1.155 25663 2487 1 5 . 1 1 78 78 TYR CA C 78 54.257 54.257 57.951 -3.694 25663 2488 1 5 . 1 1 78 78 TYR CB C 78 36.513 36.513 39.236 -2.723 25663 2489 1 5 . 1 1 78 78 TYR H H 78 9.313 9.313 8.700 0.613 25663 2490 1 5 . 1 1 79 79 GLY N N 79 110.776 110.776 107.510 3.266 25663 2491 1 5 . 1 1 79 79 GLY C C 79 172.389 172.389 172.996 -0.607 25663 2492 1 5 . 1 1 79 79 GLY CA C 79 44.317 44.317 44.349 -0.031 25663 2493 1 5 . 1 1 79 79 GLY H H 79 8.880 8.880 7.742 1.138 25663 2494 1 5 . 1 1 80 80 ILE N N 80 117.437 117.437 121.438 -4.001 25663 2495 1 5 . 1 1 80 80 ILE HA H 80 3.897 3.897 4.230 -0.333 25663 2496 1 5 . 1 1 80 80 ILE C C 80 177.495 177.495 176.237 1.258 25663 2497 1 5 . 1 1 80 80 ILE CA C 80 61.293 61.293 60.705 0.588 25663 2498 1 5 . 1 1 80 80 ILE CB C 80 36.412 36.412 38.019 -1.607 25663 2499 1 5 . 1 1 80 80 ILE H H 80 8.189 8.189 8.258 -0.069 25663 2500 1 5 . 1 1 81 81 ARG N N 81 128.585 128.585 127.598 0.987 25663 2501 1 5 . 1 1 81 81 ARG HA H 81 4.367 4.367 4.540 -0.173 25663 2502 1 5 . 1 1 81 81 ARG CA C 81 52.745 52.745 55.375 -2.630 25663 2503 1 5 . 1 1 81 81 ARG CB C 81 27.133 27.133 31.176 -4.043 25663 2504 1 5 . 1 1 81 81 ARG H H 81 8.367 8.367 8.640 -0.273 25663 2505 1 5 . 1 1 82 82 LEU HA H 82 4.145 4.145 4.301 -0.156 25663 2506 1 5 . 1 1 82 82 LEU C C 82 177.546 177.546 176.640 0.906 25663 2507 1 5 . 1 1 82 82 LEU CA C 82 56.857 56.857 54.692 2.165 25663 2508 1 5 . 1 1 82 82 LEU CB C 82 42.266 42.266 42.399 -0.133 25663 2509 1 5 . 1 1 82 82 LEU H H 82 8.226 8.226 8.651 -0.425 25663 2510 1 5 . 1 1 83 83 ASN N N 83 115.779 115.779 116.612 -0.833 25663 2511 1 5 . 1 1 83 83 ASN HA H 83 4.913 4.913 4.682 0.231 25663 2512 1 5 . 1 1 83 83 ASN C C 83 175.764 175.764 176.499 -0.735 25663 2513 1 5 . 1 1 83 83 ASN CA C 83 51.627 51.627 52.426 -0.799 25663 2514 1 5 . 1 1 83 83 ASN CB C 83 37.505 37.505 36.758 0.747 25663 2515 1 5 . 1 1 83 83 ASN H H 83 8.628 8.628 8.510 0.118 25663 2516 1 5 . 1 1 84 84 ARG N N 84 121.554 121.554 119.950 1.604 25663 2517 1 5 . 1 1 84 84 ARG HA H 84 4.637 4.637 2.757 1.880 25663 2518 1 5 . 1 1 84 84 ARG C C 84 177.197 177.197 177.120 0.077 25663 2519 1 5 . 1 1 84 84 ARG CA C 84 56.695 56.695 58.556 -1.861 25663 2520 1 5 . 1 1 84 84 ARG CB C 84 29.361 29.361 28.560 0.801 25663 2521 1 5 . 1 1 84 84 ARG H H 84 8.593 8.593 7.791 0.802 25663 2522 1 5 . 1 1 85 85 SER N N 85 116.623 116.623 114.526 2.097 25663 2523 1 5 . 1 1 85 85 SER HA H 85 4.628 4.628 4.185 0.443 25663 2524 1 5 . 1 1 85 85 SER C C 85 174.403 174.403 175.144 -0.741 25663 2525 1 5 . 1 1 85 85 SER CA C 85 58.827 58.827 59.958 -1.131 25663 2526 1 5 . 1 1 85 85 SER CB C 85 62.996 62.996 63.139 -0.143 25663 2527 1 5 . 1 1 85 85 SER H H 85 8.567 8.567 8.149 0.418 25663 2528 1 5 . 1 1 86 86 GLU N N 86 121.171 121.171 122.614 -1.443 25663 2529 1 5 . 1 1 86 86 GLU HA H 86 3.864 3.864 4.361 -0.497 25663 2530 1 5 . 1 1 86 86 GLU C C 86 174.422 174.422 175.501 -1.079 25663 2531 1 5 . 1 1 86 86 GLU CA C 86 57.520 57.520 56.448 1.072 25663 2532 1 5 . 1 1 86 86 GLU CB C 86 31.292 31.292 30.580 0.712 25663 2533 1 5 . 1 1 86 86 GLU H H 86 7.219 7.219 8.174 -0.955 25663 2534 1 5 . 1 1 87 87 ARG N N 87 118.124 118.124 119.656 -1.532 25663 2535 1 5 . 1 1 87 87 ARG HA H 87 4.687 4.687 4.796 -0.109 25663 2536 1 5 . 1 1 87 87 ARG C C 87 173.408 173.408 175.205 -1.797 25663 2537 1 5 . 1 1 87 87 ARG CA C 87 54.387 54.387 55.751 -1.364 25663 2538 1 5 . 1 1 87 87 ARG CB C 87 31.544 31.544 32.556 -1.012 25663 2539 1 5 . 1 1 87 87 ARG H H 87 7.263 7.263 8.650 -1.387 25663 2540 1 5 . 1 1 88 88 TRP N N 88 121.383 121.383 123.989 -2.606 25663 2541 1 5 . 1 1 88 88 TRP HA H 88 4.899 4.899 4.901 -0.002 25663 2542 1 5 . 1 1 88 88 TRP CA C 88 54.508 54.508 57.049 -2.541 25663 2543 1 5 . 1 1 88 88 TRP CB C 88 33.610 33.610 33.228 0.382 25663 2544 1 5 . 1 1 88 88 TRP H H 88 8.811 8.811 8.894 -0.083 25663 2545 1 5 . 1 1 89 89 ASP N N 89 119.285 119.285 119.200 0.085 25663 2546 1 5 . 1 1 89 89 ASP HA H 89 5.602 5.602 4.606 0.996 25663 2547 1 5 . 1 1 89 89 ASP C C 89 173.648 173.648 174.952 -1.304 25663 2548 1 5 . 1 1 89 89 ASP CA C 89 54.558 54.558 55.773 -1.216 25663 2549 1 5 . 1 1 89 89 ASP CB C 89 40.438 40.438 41.210 -0.772 25663 2550 1 5 . 1 1 89 89 ASP H H 89 8.552 8.552 8.353 0.199 25663 2551 1 5 . 1 1 90 90 ALA N N 90 121.014 121.014 119.524 1.490 25663 2552 1 5 . 1 1 90 90 ALA HA H 90 5.095 5.095 4.713 0.382 25663 2553 1 5 . 1 1 90 90 ALA C C 90 175.076 175.076 175.153 -0.077 25663 2554 1 5 . 1 1 90 90 ALA CA C 90 52.089 52.089 51.972 0.117 25663 2555 1 5 . 1 1 90 90 ALA CB C 90 23.118 23.118 21.980 1.138 25663 2556 1 5 . 1 1 90 90 ALA H H 90 8.449 8.449 8.020 0.429 25663 2557 1 5 . 1 1 91 91 TYR N N 91 118.243 118.243 118.876 -0.633 25663 2558 1 5 . 1 1 91 91 TYR HA H 91 5.072 5.072 5.098 -0.026 25663 2559 1 5 . 1 1 91 91 TYR C C 91 174.671 174.671 175.675 -1.004 25663 2560 1 5 . 1 1 91 91 TYR CA C 91 58.787 58.787 57.556 1.231 25663 2561 1 5 . 1 1 91 91 TYR CB C 91 40.686 40.686 41.560 -0.874 25663 2562 1 5 . 1 1 91 91 TYR H H 91 8.421 8.421 8.485 -0.064 25663 2563 1 5 . 1 1 92 92 CYS N N 92 119.931 119.931 119.005 0.926 25663 2564 1 5 . 1 1 92 92 CYS HA H 92 5.263 5.263 4.941 0.322 25663 2565 1 5 . 1 1 92 92 CYS C C 92 172.698 172.698 172.804 -0.106 25663 2566 1 5 . 1 1 92 92 CYS CA C 92 50.601 50.601 57.939 -7.338 25663 2567 1 5 . 1 1 92 92 CYS CB C 92 37.818 37.818 31.483 6.335 25663 2568 1 5 . 1 1 92 92 CYS H H 92 8.459 8.459 8.957 -0.498 25663 2569 1 5 . 1 1 93 93 TYR N N 93 120.805 120.805 123.049 -2.244 25663 2570 1 5 . 1 1 93 93 TYR HA H 93 4.903 4.903 4.810 0.093 25663 2571 1 5 . 1 1 93 93 TYR C C 93 173.902 173.902 173.442 0.460 25663 2572 1 5 . 1 1 93 93 TYR CA C 93 57.096 57.096 57.931 -0.835 25663 2573 1 5 . 1 1 93 93 TYR CB C 93 41.665 41.665 40.088 1.577 25663 2574 1 5 . 1 1 93 93 TYR H H 93 9.410 9.410 8.812 0.598 25663 2575 1 5 . 1 1 94 94 ASN N N 94 124.511 124.511 126.192 -1.681 25663 2576 1 5 . 1 1 94 94 ASN HA H 94 4.774 4.774 4.824 -0.050 25663 2577 1 5 . 1 1 94 94 ASN CA C 94 49.599 49.599 51.521 -1.922 25663 2578 1 5 . 1 1 94 94 ASN CB C 94 41.642 41.642 40.785 0.857 25663 2579 1 5 . 1 1 94 94 ASN H H 94 7.832 7.832 8.455 -0.623 25663 2580 1 5 . 1 1 95 95 PRO HA H 95 4.141 4.141 4.676 -0.535 25663 2581 1 5 . 1 1 95 95 PRO C C 95 176.345 176.345 175.730 0.615 25663 2582 1 5 . 1 1 95 95 PRO CA C 95 63.800 63.800 63.360 0.440 25663 2583 1 5 . 1 1 95 95 PRO CB C 95 32.046 32.046 30.726 1.320 25663 2584 1 5 . 1 1 96 96 HIS N N 96 116.009 116.009 122.152 -6.143 25663 2585 1 5 . 1 1 96 96 HIS HA H 96 4.623 4.623 4.571 0.052 25663 2586 1 5 . 1 1 96 96 HIS C C 96 173.999 173.999 175.653 -1.654 25663 2587 1 5 . 1 1 96 96 HIS CA C 96 55.046 55.046 56.278 -1.232 25663 2588 1 5 . 1 1 96 96 HIS CB C 96 28.821 28.821 31.594 -2.773 25663 2589 1 5 . 1 1 96 96 HIS H H 96 8.354 8.354 8.408 -0.054 25663 2590 1 5 . 1 1 97 97 ALA N N 97 123.775 123.775 124.274 -0.499 25663 2591 1 5 . 1 1 97 97 ALA HA H 97 4.269 4.269 4.153 0.116 25663 2592 1 5 . 1 1 97 97 ALA C C 97 176.350 176.350 177.916 -1.566 25663 2593 1 5 . 1 1 97 97 ALA CA C 97 51.796 51.796 53.610 -1.814 25663 2594 1 5 . 1 1 97 97 ALA CB C 97 19.648 19.648 19.112 0.536 25663 2595 1 5 . 1 1 97 97 ALA H H 97 7.387 7.387 8.721 -1.334 25663 2596 1 6 . 1 1 2 2 VAL N N 2 122.742 122.742 123.900 -1.158 25663 2597 1 6 . 1 1 2 2 VAL HA H 2 5.257 5.257 4.266 0.991 25663 2598 1 6 . 1 1 2 2 VAL C C 2 174.533 174.533 175.817 -1.284 25663 2599 1 6 . 1 1 2 2 VAL CA C 2 60.536 60.536 62.367 -1.831 25663 2600 1 6 . 1 1 2 2 VAL CB C 2 33.278 33.278 31.094 2.184 25663 2601 1 6 . 1 1 2 2 VAL H H 2 8.486 8.486 7.993 0.493 25663 2602 1 6 . 1 1 3 3 TYR N N 3 120.172 120.172 125.188 -5.016 25663 2603 1 6 . 1 1 3 3 TYR HA H 3 4.964 4.964 4.944 0.020 25663 2604 1 6 . 1 1 3 3 TYR C C 3 173.399 173.399 174.255 -0.856 25663 2605 1 6 . 1 1 3 3 TYR CA C 3 56.073 56.073 55.813 0.260 25663 2606 1 6 . 1 1 3 3 TYR CB C 3 40.278 40.278 39.881 0.397 25663 2607 1 6 . 1 1 3 3 TYR H H 3 8.715 8.715 8.393 0.322 25663 2608 1 6 . 1 1 4 4 HIS N N 4 121.237 121.237 120.714 0.523 25663 2609 1 6 . 1 1 4 4 HIS HA H 4 4.929 4.929 4.936 -0.007 25663 2610 1 6 . 1 1 4 4 HIS C C 4 172.844 172.844 175.264 -2.420 25663 2611 1 6 . 1 1 4 4 HIS CA C 4 54.154 54.154 56.087 -1.933 25663 2612 1 6 . 1 1 4 4 HIS CB C 4 30.961 30.961 30.600 0.361 25663 2613 1 6 . 1 1 4 4 HIS H H 4 9.414 9.414 8.539 0.875 25663 2614 1 6 . 1 1 5 5 ARG N N 5 128.770 128.770 126.508 2.262 25663 2615 1 6 . 1 1 5 5 ARG HA H 5 4.619 4.619 4.720 -0.101 25663 2616 1 6 . 1 1 5 5 ARG C C 5 172.967 172.967 174.098 -1.131 25663 2617 1 6 . 1 1 5 5 ARG CA C 5 53.177 53.177 55.557 -2.380 25663 2618 1 6 . 1 1 5 5 ARG CB C 5 33.832 33.832 33.005 0.827 25663 2619 1 6 . 1 1 5 5 ARG H H 5 8.805 8.805 8.648 0.157 25663 2620 1 6 . 1 1 6 6 GLU N N 6 121.037 121.037 123.600 -2.563 25663 2621 1 6 . 1 1 6 6 GLU HA H 6 4.490 4.490 4.701 -0.211 25663 2622 1 6 . 1 1 6 6 GLU C C 6 176.264 176.264 175.166 1.098 25663 2623 1 6 . 1 1 6 6 GLU CA C 6 53.336 53.336 55.269 -1.933 25663 2624 1 6 . 1 1 6 6 GLU CB C 6 33.133 33.133 32.549 0.584 25663 2625 1 6 . 1 1 6 6 GLU H H 6 8.232 8.232 8.589 -0.357 25663 2626 1 6 . 1 1 7 7 ALA N N 7 123.438 123.438 125.646 -2.208 25663 2627 1 6 . 1 1 7 7 ALA HA H 7 4.215 4.215 4.207 0.008 25663 2628 1 6 . 1 1 7 7 ALA C C 7 178.419 178.419 177.502 0.917 25663 2629 1 6 . 1 1 7 7 ALA CA C 7 52.182 52.182 52.777 -0.595 25663 2630 1 6 . 1 1 7 7 ALA CB C 7 20.128 20.128 19.322 0.806 25663 2631 1 6 . 1 1 7 7 ALA H H 7 8.756 8.756 8.848 -0.092 25663 2632 1 6 . 1 1 8 8 ARG N N 8 122.559 122.559 123.054 -0.495 25663 2633 1 6 . 1 1 8 8 ARG HA H 8 3.998 3.998 4.164 -0.166 25663 2634 1 6 . 1 1 8 8 ARG C C 8 177.448 177.448 176.701 0.747 25663 2635 1 6 . 1 1 8 8 ARG CA C 8 58.660 58.660 58.139 0.521 25663 2636 1 6 . 1 1 8 8 ARG CB C 8 29.406 29.406 30.240 -0.834 25663 2637 1 6 . 1 1 8 8 ARG H H 8 8.945 8.945 8.724 0.221 25663 2638 1 6 . 1 1 9 9 SER N N 9 107.309 107.309 115.149 -7.840 25663 2639 1 6 . 1 1 9 9 SER HA H 9 4.261 4.261 4.441 -0.180 25663 2640 1 6 . 1 1 9 9 SER C C 9 174.411 174.411 174.241 0.170 25663 2641 1 6 . 1 1 9 9 SER CA C 9 58.081 58.081 58.520 -0.439 25663 2642 1 6 . 1 1 9 9 SER CB C 9 62.972 62.972 63.750 -0.778 25663 2643 1 6 . 1 1 9 9 SER H H 9 7.445 7.445 8.267 -0.822 25663 2644 1 6 . 1 1 10 10 GLY N N 10 109.574 109.574 108.549 1.025 25663 2645 1 6 . 1 1 10 10 GLY C C 10 171.580 171.580 173.025 -1.445 25663 2646 1 6 . 1 1 10 10 GLY CA C 10 44.036 44.036 45.274 -1.238 25663 2647 1 6 . 1 1 10 10 GLY H H 10 7.379 7.379 7.462 -0.083 25663 2648 1 6 . 1 1 11 11 LYS N N 11 121.683 121.683 117.565 4.118 25663 2649 1 6 . 1 1 11 11 LYS HA H 11 3.993 3.993 4.066 -0.073 25663 2650 1 6 . 1 1 11 11 LYS C C 11 175.995 175.995 173.974 2.021 25663 2651 1 6 . 1 1 11 11 LYS CA C 11 57.374 57.374 56.460 0.914 25663 2652 1 6 . 1 1 11 11 LYS CB C 11 34.009 34.009 34.105 -0.096 25663 2653 1 6 . 1 1 11 11 LYS H H 11 8.040 8.040 8.016 0.024 25663 2654 1 6 . 1 1 12 12 TYR N N 12 122.956 122.956 119.063 3.893 25663 2655 1 6 . 1 1 12 12 TYR HA H 12 3.990 3.990 4.709 -0.719 25663 2656 1 6 . 1 1 12 12 TYR C C 12 173.905 173.905 174.064 -0.159 25663 2657 1 6 . 1 1 12 12 TYR CA C 12 54.397 54.397 57.236 -2.839 25663 2658 1 6 . 1 1 12 12 TYR CB C 12 32.105 32.105 38.570 -6.465 25663 2659 1 6 . 1 1 12 12 TYR H H 12 9.830 9.830 7.830 2.000 25663 2660 1 6 . 1 1 13 13 LYS N N 13 114.683 114.683 120.320 -5.637 25663 2661 1 6 . 1 1 13 13 LYS HA H 13 4.577 4.577 4.540 0.037 25663 2662 1 6 . 1 1 13 13 LYS C C 13 176.999 176.999 175.336 1.663 25663 2663 1 6 . 1 1 13 13 LYS CA C 13 55.014 55.014 55.917 -0.903 25663 2664 1 6 . 1 1 13 13 LYS CB C 13 35.021 35.021 32.898 2.123 25663 2665 1 6 . 1 1 13 13 LYS H H 13 8.445 8.445 8.337 0.108 25663 2666 1 6 . 1 1 14 14 LEU N N 14 123.176 123.176 123.016 0.160 25663 2667 1 6 . 1 1 14 14 LEU HA H 14 5.122 5.122 4.733 0.389 25663 2668 1 6 . 1 1 14 14 LEU C C 14 178.304 178.304 176.307 1.997 25663 2669 1 6 . 1 1 14 14 LEU CA C 14 54.800 54.800 53.750 1.050 25663 2670 1 6 . 1 1 14 14 LEU CB C 14 43.528 43.528 43.449 0.079 25663 2671 1 6 . 1 1 14 14 LEU H H 14 9.479 9.479 7.706 1.773 25663 2672 1 6 . 1 1 15 15 THR N N 15 116.144 116.144 115.417 0.727 25663 2673 1 6 . 1 1 15 15 THR HA H 15 5.485 5.485 4.770 0.715 25663 2674 1 6 . 1 1 15 15 THR C C 15 174.697 174.697 175.712 -1.015 25663 2675 1 6 . 1 1 15 15 THR CA C 15 61.722 61.722 60.159 1.563 25663 2676 1 6 . 1 1 15 15 THR CB C 15 70.914 70.914 71.220 -0.306 25663 2677 1 6 . 1 1 15 15 THR H H 15 8.792 8.792 8.386 0.406 25663 2678 1 6 . 1 1 16 16 TYR N N 16 120.594 120.594 121.659 -1.065 25663 2679 1 6 . 1 1 16 16 TYR HA H 16 2.375 2.375 3.921 -1.546 25663 2680 1 6 . 1 1 16 16 TYR C C 16 176.133 176.133 177.117 -0.984 25663 2681 1 6 . 1 1 16 16 TYR CA C 16 61.408 61.408 61.614 -0.205 25663 2682 1 6 . 1 1 16 16 TYR CB C 16 36.889 36.889 36.160 0.729 25663 2683 1 6 . 1 1 16 16 TYR H H 16 7.402 7.402 8.502 -1.100 25663 2684 1 6 . 1 1 17 17 ALA N N 17 118.108 118.108 120.655 -2.547 25663 2685 1 6 . 1 1 17 17 ALA HA H 17 3.509 3.509 3.701 -0.192 25663 2686 1 6 . 1 1 17 17 ALA C C 17 181.575 181.575 179.408 2.167 25663 2687 1 6 . 1 1 17 17 ALA CA C 17 54.732 54.732 54.414 0.318 25663 2688 1 6 . 1 1 17 17 ALA CB C 17 18.124 18.124 17.473 0.651 25663 2689 1 6 . 1 1 17 17 ALA H H 17 8.545 8.545 6.265 2.280 25663 2690 1 6 . 1 1 18 18 GLU N N 18 117.696 117.696 119.027 -1.331 25663 2691 1 6 . 1 1 18 18 GLU HA H 18 3.879 3.879 3.979 -0.100 25663 2692 1 6 . 1 1 18 18 GLU C C 18 178.624 178.624 178.523 0.101 25663 2693 1 6 . 1 1 18 18 GLU CA C 18 58.432 58.432 58.461 -0.029 25663 2694 1 6 . 1 1 18 18 GLU CB C 18 30.814 30.814 29.252 1.562 25663 2695 1 6 . 1 1 18 18 GLU H H 18 7.327 7.327 7.291 0.036 25663 2696 1 6 . 1 1 19 19 ALA N N 19 124.629 124.629 121.982 2.647 25663 2697 1 6 . 1 1 19 19 ALA HA H 19 3.871 3.871 3.948 -0.077 25663 2698 1 6 . 1 1 19 19 ALA C C 19 177.371 177.371 179.882 -2.511 25663 2699 1 6 . 1 1 19 19 ALA CA C 19 54.955 54.955 55.497 -0.542 25663 2700 1 6 . 1 1 19 19 ALA CB C 19 19.893 19.893 18.486 1.407 25663 2701 1 6 . 1 1 19 19 ALA H H 19 8.744 8.744 8.674 0.070 25663 2702 1 6 . 1 1 20 20 LYS N N 20 117.842 117.842 116.258 1.584 25663 2703 1 6 . 1 1 20 20 LYS HA H 20 3.435 3.435 4.139 -0.704 25663 2704 1 6 . 1 1 20 20 LYS C C 20 178.017 178.017 177.278 0.739 25663 2705 1 6 . 1 1 20 20 LYS CA C 20 60.086 60.086 58.776 1.310 25663 2706 1 6 . 1 1 20 20 LYS CB C 20 33.186 33.186 32.508 0.678 25663 2707 1 6 . 1 1 20 20 LYS H H 20 8.188 8.188 7.772 0.416 25663 2708 1 6 . 1 1 21 21 ALA N N 21 117.564 117.564 120.823 -3.259 25663 2709 1 6 . 1 1 21 21 ALA HA H 21 4.040 4.040 4.217 -0.177 25663 2710 1 6 . 1 1 21 21 ALA C C 21 180.598 180.598 179.466 1.132 25663 2711 1 6 . 1 1 21 21 ALA CA C 21 54.991 54.991 54.620 0.371 25663 2712 1 6 . 1 1 21 21 ALA CB C 21 18.071 18.071 19.038 -0.967 25663 2713 1 6 . 1 1 21 21 ALA H H 21 7.382 7.382 7.496 -0.114 25663 2714 1 6 . 1 1 22 22 VAL N N 22 120.351 120.351 114.099 6.252 25663 2715 1 6 . 1 1 22 22 VAL HA H 22 3.883 3.883 3.881 0.002 25663 2716 1 6 . 1 1 22 22 VAL C C 22 177.921 177.921 176.724 1.197 25663 2717 1 6 . 1 1 22 22 VAL CA C 22 66.242 66.242 64.114 2.128 25663 2718 1 6 . 1 1 22 22 VAL CB C 22 31.136 31.136 31.166 -0.030 25663 2719 1 6 . 1 1 22 22 VAL H H 22 8.203 8.203 7.656 0.547 25663 2720 1 6 . 1 1 23 23 CYS N N 23 116.368 116.368 119.099 -2.731 25663 2721 1 6 . 1 1 23 23 CYS HA H 23 4.352 4.352 4.624 -0.272 25663 2722 1 6 . 1 1 23 23 CYS C C 23 178.687 178.687 174.178 4.509 25663 2723 1 6 . 1 1 23 23 CYS CA C 23 55.224 55.224 59.069 -3.845 25663 2724 1 6 . 1 1 23 23 CYS CB C 23 33.542 33.542 30.130 3.412 25663 2725 1 6 . 1 1 23 23 CYS H H 23 7.788 7.788 7.841 -0.053 25663 2726 1 6 . 1 1 24 24 GLU N N 24 120.341 120.341 116.943 3.398 25663 2727 1 6 . 1 1 24 24 GLU HA H 24 4.259 4.259 4.124 0.135 25663 2728 1 6 . 1 1 24 24 GLU C C 24 180.516 180.516 178.193 2.323 25663 2729 1 6 . 1 1 24 24 GLU CA C 24 58.412 58.412 58.527 -0.115 25663 2730 1 6 . 1 1 24 24 GLU CB C 24 28.855 28.855 28.941 -0.086 25663 2731 1 6 . 1 1 24 24 GLU H H 24 8.196 8.196 8.832 -0.636 25663 2732 1 6 . 1 1 25 25 PHE N N 25 124.937 124.937 120.173 4.764 25663 2733 1 6 . 1 1 25 25 PHE HA H 25 4.267 4.267 4.240 0.027 25663 2734 1 6 . 1 1 25 25 PHE C C 25 177.593 177.593 176.317 1.276 25663 2735 1 6 . 1 1 25 25 PHE CA C 25 60.845 60.845 60.713 0.132 25663 2736 1 6 . 1 1 25 25 PHE CB C 25 39.035 39.035 39.370 -0.335 25663 2737 1 6 . 1 1 25 25 PHE H H 25 8.946 8.946 8.397 0.549 25663 2738 1 6 . 1 1 26 26 GLU N N 26 114.486 114.486 118.774 -4.288 25663 2739 1 6 . 1 1 26 26 GLU HA H 26 4.090 4.090 4.227 -0.137 25663 2740 1 6 . 1 1 26 26 GLU C C 26 175.712 175.712 177.243 -1.531 25663 2741 1 6 . 1 1 26 26 GLU CA C 26 56.249 56.249 56.144 0.105 25663 2742 1 6 . 1 1 26 26 GLU CB C 26 29.418 29.418 28.666 0.752 25663 2743 1 6 . 1 1 26 26 GLU H H 26 7.359 7.359 8.346 -0.987 25663 2744 1 6 . 1 1 27 27 GLY N N 27 106.503 106.503 108.664 -2.161 25663 2745 1 6 . 1 1 27 27 GLY C C 27 174.107 174.107 174.824 -0.717 25663 2746 1 6 . 1 1 27 27 GLY CA C 27 45.426 45.426 44.625 0.801 25663 2747 1 6 . 1 1 27 27 GLY H H 27 7.695 7.695 7.856 -0.161 25663 2748 1 6 . 1 1 28 28 GLY N N 28 109.515 109.515 106.420 3.095 25663 2749 1 6 . 1 1 28 28 GLY C C 28 172.079 172.079 173.336 -1.257 25663 2750 1 6 . 1 1 28 28 GLY CA C 28 43.788 43.788 44.299 -0.511 25663 2751 1 6 . 1 1 28 28 GLY H H 28 7.745 7.745 7.959 -0.214 25663 2752 1 6 . 1 1 29 29 HIS N N 29 116.220 116.220 116.677 -0.457 25663 2753 1 6 . 1 1 29 29 HIS HA H 29 4.865 4.865 4.806 0.059 25663 2754 1 6 . 1 1 29 29 HIS C C 29 174.118 174.118 173.489 0.629 25663 2755 1 6 . 1 1 29 29 HIS CA C 29 54.169 54.169 54.650 -0.481 25663 2756 1 6 . 1 1 29 29 HIS CB C 29 33.436 33.436 30.107 3.329 25663 2757 1 6 . 1 1 29 29 HIS H H 29 8.412 8.412 8.442 -0.030 25663 2758 1 6 . 1 1 30 30 LEU N N 30 124.046 124.046 124.081 -0.035 25663 2759 1 6 . 1 1 30 30 LEU HA H 30 4.912 4.912 4.195 0.717 25663 2760 1 6 . 1 1 30 30 LEU C C 30 178.158 178.158 177.884 0.274 25663 2761 1 6 . 1 1 30 30 LEU CA C 30 56.817 56.817 55.920 0.897 25663 2762 1 6 . 1 1 30 30 LEU CB C 30 42.534 42.534 41.822 0.712 25663 2763 1 6 . 1 1 30 30 LEU H H 30 9.399 9.399 8.728 0.671 25663 2764 1 6 . 1 1 31 31 ALA N N 31 126.730 126.730 126.004 0.726 25663 2765 1 6 . 1 1 31 31 ALA HA H 31 4.403 4.403 4.576 -0.173 25663 2766 1 6 . 1 1 31 31 ALA C C 31 176.879 176.879 177.533 -0.654 25663 2767 1 6 . 1 1 31 31 ALA CA C 31 52.006 52.006 51.854 0.152 25663 2768 1 6 . 1 1 31 31 ALA CB C 31 19.593 19.593 20.062 -0.469 25663 2769 1 6 . 1 1 31 31 ALA H H 31 9.331 9.331 8.207 1.124 25663 2770 1 6 . 1 1 32 32 THR N N 32 111.206 111.206 113.612 -2.406 25663 2771 1 6 . 1 1 32 32 THR HA H 32 4.528 4.528 4.701 -0.173 25663 2772 1 6 . 1 1 32 32 THR C C 32 174.899 174.899 174.692 0.207 25663 2773 1 6 . 1 1 32 32 THR CA C 32 59.818 59.818 59.536 0.282 25663 2774 1 6 . 1 1 32 32 THR CB C 32 70.949 70.949 71.959 -1.010 25663 2775 1 6 . 1 1 32 32 THR H H 32 8.511 8.511 7.736 0.775 25663 2776 1 6 . 1 1 33 33 TYR N N 33 121.971 121.971 122.110 -0.139 25663 2777 1 6 . 1 1 33 33 TYR HA H 33 3.745 3.745 4.077 -0.332 25663 2778 1 6 . 1 1 33 33 TYR C C 33 176.176 176.176 176.762 -0.586 25663 2779 1 6 . 1 1 33 33 TYR CA C 33 62.320 62.320 62.424 -0.104 25663 2780 1 6 . 1 1 33 33 TYR CB C 33 38.737 38.737 38.731 0.006 25663 2781 1 6 . 1 1 33 33 TYR H H 33 8.623 8.623 8.986 -0.363 25663 2782 1 6 . 1 1 34 34 LYS N N 34 116.509 116.509 118.930 -2.421 25663 2783 1 6 . 1 1 34 34 LYS HA H 34 3.905 3.905 3.970 -0.065 25663 2784 1 6 . 1 1 34 34 LYS C C 34 180.207 180.207 178.679 1.528 25663 2785 1 6 . 1 1 34 34 LYS CA C 34 59.854 59.854 59.593 0.261 25663 2786 1 6 . 1 1 34 34 LYS CB C 34 32.743 32.743 32.313 0.430 25663 2787 1 6 . 1 1 34 34 LYS H H 34 8.284 8.284 7.794 0.490 25663 2788 1 6 . 1 1 35 35 GLN N N 35 119.270 119.270 118.879 0.391 25663 2789 1 6 . 1 1 35 35 GLN HA H 35 3.822 3.822 3.985 -0.163 25663 2790 1 6 . 1 1 35 35 GLN C C 35 179.050 179.050 178.758 0.292 25663 2791 1 6 . 1 1 35 35 GLN CA C 35 58.402 58.402 58.394 0.008 25663 2792 1 6 . 1 1 35 35 GLN CB C 35 26.715 26.715 28.779 -2.064 25663 2793 1 6 . 1 1 35 35 GLN H H 35 7.747 7.747 7.679 0.068 25663 2794 1 6 . 1 1 36 36 LEU N N 36 122.992 122.992 120.117 2.875 25663 2795 1 6 . 1 1 36 36 LEU HA H 36 3.891 3.891 3.705 0.186 25663 2796 1 6 . 1 1 36 36 LEU C C 36 177.812 177.812 178.328 -0.516 25663 2797 1 6 . 1 1 36 36 LEU CA C 36 58.166 58.166 57.858 0.308 25663 2798 1 6 . 1 1 36 36 LEU CB C 36 41.981 41.981 41.641 0.340 25663 2799 1 6 . 1 1 36 36 LEU H H 36 8.473 8.473 8.759 -0.286 25663 2800 1 6 . 1 1 37 37 GLU N N 37 120.512 120.512 119.087 1.425 25663 2801 1 6 . 1 1 37 37 GLU HA H 37 4.244 4.244 3.777 0.467 25663 2802 1 6 . 1 1 37 37 GLU C C 37 177.984 177.984 178.217 -0.233 25663 2803 1 6 . 1 1 37 37 GLU CA C 37 58.018 58.018 59.370 -1.353 25663 2804 1 6 . 1 1 37 37 GLU CB C 37 28.236 28.236 29.382 -1.146 25663 2805 1 6 . 1 1 37 37 GLU H H 37 8.526 8.526 7.593 0.933 25663 2806 1 6 . 1 1 38 38 ALA N N 38 121.256 121.256 120.027 1.229 25663 2807 1 6 . 1 1 38 38 ALA HA H 38 3.995 3.995 4.236 -0.241 25663 2808 1 6 . 1 1 38 38 ALA C C 38 180.513 180.513 178.321 2.192 25663 2809 1 6 . 1 1 38 38 ALA CA C 38 54.968 54.968 53.895 1.073 25663 2810 1 6 . 1 1 38 38 ALA CB C 38 17.792 17.792 18.196 -0.404 25663 2811 1 6 . 1 1 38 38 ALA H H 38 7.806 7.806 7.261 0.544 25663 2812 1 6 . 1 1 39 39 ALA N N 39 120.185 120.185 120.540 -0.355 25663 2813 1 6 . 1 1 39 39 ALA HA H 39 4.164 4.164 4.145 0.019 25663 2814 1 6 . 1 1 39 39 ALA C C 39 180.063 180.063 179.977 0.086 25663 2815 1 6 . 1 1 39 39 ALA CA C 39 54.064 54.064 54.260 -0.196 25663 2816 1 6 . 1 1 39 39 ALA CB C 39 17.883 17.883 18.354 -0.471 25663 2817 1 6 . 1 1 39 39 ALA H H 39 7.495 7.495 7.167 0.328 25663 2818 1 6 . 1 1 40 40 ARG N N 40 124.604 124.604 118.274 6.330 25663 2819 1 6 . 1 1 40 40 ARG HA H 40 4.658 4.658 4.223 0.435 25663 2820 1 6 . 1 1 40 40 ARG C C 40 180.610 180.610 179.268 1.342 25663 2821 1 6 . 1 1 40 40 ARG CA C 40 58.559 58.559 58.091 0.468 25663 2822 1 6 . 1 1 40 40 ARG CB C 40 30.707 30.707 29.582 1.125 25663 2823 1 6 . 1 1 40 40 ARG H H 40 8.789 8.789 7.911 0.878 25663 2824 1 6 . 1 1 41 41 LYS N N 41 117.810 117.810 119.119 -1.309 25663 2825 1 6 . 1 1 41 41 LYS HA H 41 3.925 3.925 4.177 -0.252 25663 2826 1 6 . 1 1 41 41 LYS C C 41 178.134 178.134 177.837 0.297 25663 2827 1 6 . 1 1 41 41 LYS CA C 41 59.409 59.409 58.591 0.818 25663 2828 1 6 . 1 1 41 41 LYS CB C 41 32.786 32.786 32.075 0.711 25663 2829 1 6 . 1 1 41 41 LYS H H 41 8.267 8.267 7.735 0.532 25663 2830 1 6 . 1 1 42 42 ILE N N 42 110.889 110.889 118.374 -7.485 25663 2831 1 6 . 1 1 42 42 ILE HA H 42 4.581 4.581 4.199 0.382 25663 2832 1 6 . 1 1 42 42 ILE C C 42 176.527 176.527 176.420 0.107 25663 2833 1 6 . 1 1 42 42 ILE CA C 42 60.751 60.751 61.252 -0.500 25663 2834 1 6 . 1 1 42 42 ILE CB C 42 37.739 37.739 38.053 -0.314 25663 2835 1 6 . 1 1 42 42 ILE H H 42 7.263 7.263 7.712 -0.449 25663 2836 1 6 . 1 1 43 43 GLY N N 43 108.366 108.366 108.972 -0.606 25663 2837 1 6 . 1 1 43 43 GLY C C 43 173.880 173.880 174.337 -0.457 25663 2838 1 6 . 1 1 43 43 GLY CA C 43 45.585 45.585 45.101 0.484 25663 2839 1 6 . 1 1 43 43 GLY H H 43 7.816 7.816 7.871 -0.055 25663 2840 1 6 . 1 1 44 44 PHE N N 44 125.650 125.650 121.693 3.957 25663 2841 1 6 . 1 1 44 44 PHE HA H 44 4.510 4.510 4.543 -0.033 25663 2842 1 6 . 1 1 44 44 PHE C C 44 171.183 171.183 174.525 -3.342 25663 2843 1 6 . 1 1 44 44 PHE CA C 44 59.012 59.012 58.845 0.167 25663 2844 1 6 . 1 1 44 44 PHE CB C 44 39.986 39.986 40.208 -0.222 25663 2845 1 6 . 1 1 44 44 PHE H H 44 8.003 8.003 7.612 0.391 25663 2846 1 6 . 1 1 45 45 HIS N N 45 126.999 126.999 127.674 -0.675 25663 2847 1 6 . 1 1 45 45 HIS HA H 45 4.728 4.728 4.584 0.144 25663 2848 1 6 . 1 1 45 45 HIS C C 45 175.134 175.134 172.904 2.230 25663 2849 1 6 . 1 1 45 45 HIS CA C 45 55.539 55.539 55.621 -0.082 25663 2850 1 6 . 1 1 45 45 HIS CB C 45 34.586 34.586 31.321 3.265 25663 2851 1 6 . 1 1 45 45 HIS H H 45 7.326 7.326 7.930 -0.604 25663 2852 1 6 . 1 1 46 46 VAL N N 46 126.425 126.425 126.089 0.336 25663 2853 1 6 . 1 1 46 46 VAL HA H 46 3.665 3.665 3.891 -0.226 25663 2854 1 6 . 1 1 46 46 VAL CA C 46 61.647 61.647 60.526 1.121 25663 2855 1 6 . 1 1 46 46 VAL CB C 46 35.141 35.141 34.073 1.068 25663 2856 1 6 . 1 1 46 46 VAL H H 46 8.147 8.147 7.712 0.435 25663 2857 1 6 . 1 1 47 47 CYS N N 47 127.308 127.308 128.647 -1.339 25663 2858 1 6 . 1 1 47 47 CYS HA H 47 4.470 4.470 4.571 -0.101 25663 2859 1 6 . 1 1 47 47 CYS C C 47 172.533 172.533 173.788 -1.255 25663 2860 1 6 . 1 1 47 47 CYS CA C 47 55.259 55.259 58.078 -2.819 25663 2861 1 6 . 1 1 47 47 CYS CB C 47 44.867 44.867 25.154 19.713 25663 2862 1 6 . 1 1 47 47 CYS H H 47 8.675 8.675 8.473 0.202 25663 2863 1 6 . 1 1 48 48 ALA N N 48 120.376 120.376 128.268 -7.892 25663 2864 1 6 . 1 1 48 48 ALA HA H 48 4.278 4.278 4.511 -0.233 25663 2865 1 6 . 1 1 48 48 ALA C C 48 173.936 173.936 174.924 -0.988 25663 2866 1 6 . 1 1 48 48 ALA CA C 48 51.286 51.286 52.047 -0.761 25663 2867 1 6 . 1 1 48 48 ALA CB C 48 19.831 19.831 21.719 -1.888 25663 2868 1 6 . 1 1 48 48 ALA H H 48 6.500 6.500 8.001 -1.501 25663 2869 1 6 . 1 1 49 49 ALA N N 49 130.715 130.715 125.708 5.007 25663 2870 1 6 . 1 1 49 49 ALA HA H 49 3.834 3.834 4.680 -0.846 25663 2871 1 6 . 1 1 49 49 ALA C C 49 176.061 176.061 176.977 -0.916 25663 2872 1 6 . 1 1 49 49 ALA CA C 49 53.466 53.466 51.350 2.116 25663 2873 1 6 . 1 1 49 49 ALA CB C 49 18.332 18.332 19.142 -0.810 25663 2874 1 6 . 1 1 49 49 ALA H H 49 8.424 8.424 8.421 0.003 25663 2875 1 6 . 1 1 50 50 GLY N N 50 107.085 107.085 110.050 -2.965 25663 2876 1 6 . 1 1 50 50 GLY C C 50 170.793 170.793 172.180 -1.387 25663 2877 1 6 . 1 1 50 50 GLY CA C 50 43.792 43.792 43.900 -0.108 25663 2878 1 6 . 1 1 50 50 GLY H H 50 8.746 8.746 7.763 0.983 25663 2879 1 6 . 1 1 51 51 TRP N N 51 121.565 121.565 122.546 -0.981 25663 2880 1 6 . 1 1 51 51 TRP HA H 51 4.960 4.960 4.626 0.334 25663 2881 1 6 . 1 1 51 51 TRP C C 51 174.095 174.095 175.721 -1.626 25663 2882 1 6 . 1 1 51 51 TRP CA C 51 58.852 58.852 58.082 0.770 25663 2883 1 6 . 1 1 51 51 TRP CB C 51 32.034 32.034 30.806 1.228 25663 2884 1 6 . 1 1 51 51 TRP H H 51 8.596 8.596 8.005 0.591 25663 2885 1 6 . 1 1 52 52 MET N N 52 118.713 118.713 117.758 0.955 25663 2886 1 6 . 1 1 52 52 MET HA H 52 4.945 4.945 4.952 -0.007 25663 2887 1 6 . 1 1 52 52 MET C C 52 174.575 174.575 175.017 -0.442 25663 2888 1 6 . 1 1 52 52 MET CA C 52 54.277 54.277 53.770 0.507 25663 2889 1 6 . 1 1 52 52 MET CB C 52 39.146 39.146 37.553 1.593 25663 2890 1 6 . 1 1 52 52 MET H H 52 9.116 9.116 7.984 1.132 25663 2891 1 6 . 1 1 53 53 ALA N N 53 120.116 120.116 122.668 -2.552 25663 2892 1 6 . 1 1 53 53 ALA HA H 53 4.186 4.186 4.062 0.124 25663 2893 1 6 . 1 1 53 53 ALA C C 53 178.250 178.250 178.775 -0.525 25663 2894 1 6 . 1 1 53 53 ALA CA C 53 53.791 53.791 54.130 -0.339 25663 2895 1 6 . 1 1 53 53 ALA CB C 53 19.462 19.462 18.897 0.565 25663 2896 1 6 . 1 1 53 53 ALA H H 53 8.517 8.517 8.739 -0.222 25663 2897 1 6 . 1 1 54 54 LYS N N 54 112.641 112.641 119.656 -7.015 25663 2898 1 6 . 1 1 54 54 LYS HA H 54 3.857 3.857 3.822 0.035 25663 2899 1 6 . 1 1 54 54 LYS C C 54 175.913 175.913 176.612 -0.699 25663 2900 1 6 . 1 1 54 54 LYS CA C 54 57.608 57.608 57.385 0.223 25663 2901 1 6 . 1 1 54 54 LYS CB C 54 29.796 29.796 30.768 -0.972 25663 2902 1 6 . 1 1 54 54 LYS H H 54 8.866 8.866 9.005 -0.139 25663 2903 1 6 . 1 1 55 55 GLY N N 55 104.227 104.227 105.220 -0.993 25663 2904 1 6 . 1 1 55 55 GLY C C 55 173.820 173.820 173.631 0.189 25663 2905 1 6 . 1 1 55 55 GLY CA C 55 45.933 45.933 45.295 0.638 25663 2906 1 6 . 1 1 55 55 GLY H H 55 8.239 8.239 8.618 -0.379 25663 2907 1 6 . 1 1 56 56 ARG N N 56 122.045 122.045 119.543 2.502 25663 2908 1 6 . 1 1 56 56 ARG HA H 56 4.771 4.771 4.438 0.333 25663 2909 1 6 . 1 1 56 56 ARG C C 56 173.828 173.828 174.384 -0.556 25663 2910 1 6 . 1 1 56 56 ARG CA C 56 55.010 55.010 57.130 -2.120 25663 2911 1 6 . 1 1 56 56 ARG CB C 56 31.939 31.939 31.566 0.373 25663 2912 1 6 . 1 1 56 56 ARG H H 56 6.825 6.825 8.174 -1.349 25663 2913 1 6 . 1 1 57 57 VAL N N 57 122.581 122.581 122.222 0.359 25663 2914 1 6 . 1 1 57 57 VAL HA H 57 4.632 4.632 4.684 -0.052 25663 2915 1 6 . 1 1 57 57 VAL C C 57 173.775 173.775 173.865 -0.090 25663 2916 1 6 . 1 1 57 57 VAL CA C 57 59.946 59.946 59.469 0.477 25663 2917 1 6 . 1 1 57 57 VAL CB C 57 35.191 35.191 35.520 -0.329 25663 2918 1 6 . 1 1 57 57 VAL H H 57 7.084 7.084 8.034 -0.950 25663 2919 1 6 . 1 1 58 58 GLY N N 58 112.994 112.994 111.038 1.956 25663 2920 1 6 . 1 1 58 58 GLY C C 58 171.431 171.431 172.303 -0.872 25663 2921 1 6 . 1 1 58 58 GLY CA C 58 46.285 46.285 45.565 0.720 25663 2922 1 6 . 1 1 58 58 GLY H H 58 8.112 8.112 7.755 0.357 25663 2923 1 6 . 1 1 59 59 TYR N N 59 111.540 111.540 118.127 -6.587 25663 2924 1 6 . 1 1 59 59 TYR HA H 59 4.337 4.337 4.961 -0.624 25663 2925 1 6 . 1 1 59 59 TYR CA C 59 55.972 55.972 54.684 1.288 25663 2926 1 6 . 1 1 59 59 TYR CB C 59 34.363 34.363 37.774 -3.411 25663 2927 1 6 . 1 1 59 59 TYR H H 59 7.796 7.796 8.701 -0.905 25663 2928 1 6 . 1 1 60 60 PRO HA H 60 4.497 4.497 4.447 0.050 25663 2929 1 6 . 1 1 60 60 PRO CA C 60 62.231 62.231 63.186 -0.955 25663 2930 1 6 . 1 1 60 60 PRO CB C 60 33.314 33.314 31.512 1.802 25663 2931 1 6 . 1 1 61 61 ILE HA H 61 4.444 4.444 4.667 -0.223 25663 2932 1 6 . 1 1 61 61 ILE CA C 61 56.601 56.601 59.301 -2.700 25663 2933 1 6 . 1 1 61 61 ILE CB C 61 38.417 38.417 42.093 -3.676 25663 2934 1 6 . 1 1 62 62 VAL HA H 62 3.935 3.935 3.875 0.060 25663 2935 1 6 . 1 1 62 62 VAL CA C 62 64.377 64.377 65.850 -1.473 25663 2936 1 6 . 1 1 62 62 VAL CB C 62 34.087 34.087 31.496 2.591 25663 2937 1 6 . 1 1 62 62 VAL H H 62 11.229 11.229 8.608 2.621 25663 2938 1 6 . 1 1 63 63 LYS N N 63 122.578 122.578 114.878 7.700 25663 2939 1 6 . 1 1 63 63 LYS HA H 63 4.753 4.753 4.591 0.162 25663 2940 1 6 . 1 1 63 63 LYS CA C 63 52.473 52.473 56.402 -3.929 25663 2941 1 6 . 1 1 63 63 LYS CB C 63 32.983 32.983 31.168 1.815 25663 2942 1 6 . 1 1 63 63 LYS H H 63 7.501 7.501 7.844 -0.343 25663 2943 1 6 . 1 1 64 64 PRO HA H 64 4.362 4.362 4.382 -0.020 25663 2944 1 6 . 1 1 64 64 PRO CA C 64 63.124 63.124 62.906 0.218 25663 2945 1 6 . 1 1 64 64 PRO CB C 64 32.121 32.121 31.843 0.278 25663 2946 1 6 . 1 1 65 65 GLY CA C 65 45.512 45.512 45.240 0.272 25663 2947 1 6 . 1 1 65 65 GLY H H 65 8.377 8.377 8.314 0.063 25663 2948 1 6 . 1 1 66 66 PRO HA H 66 4.010 4.010 4.322 -0.312 25663 2949 1 6 . 1 1 66 66 PRO C C 66 177.072 177.072 177.775 -0.703 25663 2950 1 6 . 1 1 66 66 PRO CA C 66 64.765 64.765 64.132 0.633 25663 2951 1 6 . 1 1 66 66 PRO CB C 66 32.121 32.121 32.137 -0.016 25663 2952 1 6 . 1 1 67 67 ASN N N 67 114.419 114.419 117.959 -3.540 25663 2953 1 6 . 1 1 67 67 ASN HA H 67 4.995 4.995 4.619 0.376 25663 2954 1 6 . 1 1 67 67 ASN C C 67 173.872 173.872 174.417 -0.545 25663 2955 1 6 . 1 1 67 67 ASN CA C 67 52.349 52.349 52.993 -0.644 25663 2956 1 6 . 1 1 67 67 ASN CB C 67 38.955 38.955 38.820 0.135 25663 2957 1 6 . 1 1 67 67 ASN H H 67 8.330 8.330 8.478 -0.148 25663 2958 1 6 . 1 1 68 68 CYS N N 68 118.995 118.995 112.954 6.041 25663 2959 1 6 . 1 1 68 68 CYS HA H 68 5.034 5.034 4.408 0.626 25663 2960 1 6 . 1 1 68 68 CYS CA C 68 54.247 54.247 58.362 -4.115 25663 2961 1 6 . 1 1 68 68 CYS CB C 68 44.260 44.260 29.372 14.888 25663 2962 1 6 . 1 1 68 68 CYS H H 68 7.327 7.327 7.425 -0.098 25663 2963 1 6 . 1 1 70 70 PHE HA H 70 4.305 4.305 4.234 0.071 25663 2964 1 6 . 1 1 70 70 PHE CA C 70 58.889 58.889 59.028 -0.139 25663 2965 1 6 . 1 1 70 70 PHE CB C 70 36.557 36.557 38.198 -1.641 25663 2966 1 6 . 1 1 71 71 GLY N N 71 105.368 105.368 108.416 -3.048 25663 2967 1 6 . 1 1 71 71 GLY CA C 71 46.043 46.043 45.588 0.455 25663 2968 1 6 . 1 1 71 71 GLY H H 71 7.339 7.339 8.196 -0.857 25663 2969 1 6 . 1 1 72 72 LYS N N 72 120.404 120.404 117.101 3.303 25663 2970 1 6 . 1 1 72 72 LYS HA H 72 4.264 4.264 4.342 -0.078 25663 2971 1 6 . 1 1 72 72 LYS C C 72 175.440 175.440 174.569 0.871 25663 2972 1 6 . 1 1 72 72 LYS CA C 72 56.413 56.413 55.561 0.852 25663 2973 1 6 . 1 1 72 72 LYS CB C 72 33.686 33.686 33.034 0.652 25663 2974 1 6 . 1 1 72 72 LYS H H 72 6.946 6.946 7.710 -0.764 25663 2975 1 6 . 1 1 73 73 THR N N 73 110.334 110.334 111.747 -1.413 25663 2976 1 6 . 1 1 73 73 THR HA H 73 4.233 4.233 4.444 -0.211 25663 2977 1 6 . 1 1 73 73 THR C C 73 173.774 173.774 175.257 -1.483 25663 2978 1 6 . 1 1 73 73 THR CA C 73 60.879 60.879 61.222 -0.343 25663 2979 1 6 . 1 1 73 73 THR CB C 73 70.841 70.841 69.853 0.988 25663 2980 1 6 . 1 1 73 73 THR H H 73 7.911 7.911 8.100 -0.189 25663 2981 1 6 . 1 1 74 74 GLY N N 74 109.589 109.589 110.996 -1.407 25663 2982 1 6 . 1 1 74 74 GLY C C 74 172.715 172.715 173.133 -0.418 25663 2983 1 6 . 1 1 74 74 GLY CA C 74 43.404 43.404 44.614 -1.210 25663 2984 1 6 . 1 1 74 74 GLY H H 74 7.904 7.904 7.984 -0.080 25663 2985 1 6 . 1 1 75 75 ILE N N 75 120.787 120.787 123.324 -2.537 25663 2986 1 6 . 1 1 75 75 ILE HA H 75 4.221 4.221 4.345 -0.123 25663 2987 1 6 . 1 1 75 75 ILE C C 75 176.249 176.249 175.842 0.407 25663 2988 1 6 . 1 1 75 75 ILE CA C 75 59.422 59.422 60.647 -1.225 25663 2989 1 6 . 1 1 75 75 ILE CB C 75 36.008 36.008 38.607 -2.599 25663 2990 1 6 . 1 1 75 75 ILE H H 75 8.265 8.265 8.254 0.011 25663 2991 1 6 . 1 1 76 76 ILE N N 76 134.542 134.542 128.147 6.395 25663 2992 1 6 . 1 1 76 76 ILE HA H 76 3.587 3.587 4.311 -0.724 25663 2993 1 6 . 1 1 76 76 ILE C C 76 173.769 173.769 175.283 -1.514 25663 2994 1 6 . 1 1 76 76 ILE CA C 76 59.599 59.599 60.612 -1.013 25663 2995 1 6 . 1 1 76 76 ILE CB C 76 33.139 33.139 39.201 -6.062 25663 2996 1 6 . 1 1 76 76 ILE H H 76 8.660 8.660 8.576 0.084 25663 2997 1 6 . 1 1 77 77 ASP N N 77 126.213 126.213 128.800 -2.587 25663 2998 1 6 . 1 1 77 77 ASP HA H 77 4.790 4.790 4.723 0.067 25663 2999 1 6 . 1 1 77 77 ASP C C 77 176.390 176.390 175.224 1.166 25663 3000 1 6 . 1 1 77 77 ASP CA C 77 52.927 52.927 54.686 -1.759 25663 3001 1 6 . 1 1 77 77 ASP CB C 77 44.224 44.224 40.731 3.493 25663 3002 1 6 . 1 1 77 77 ASP H H 77 7.925 7.925 8.724 -0.799 25663 3003 1 6 . 1 1 78 78 TYR N N 78 126.424 126.424 125.977 0.447 25663 3004 1 6 . 1 1 78 78 TYR HA H 78 4.780 4.780 4.693 0.087 25663 3005 1 6 . 1 1 78 78 TYR C C 78 177.025 177.025 174.377 2.648 25663 3006 1 6 . 1 1 78 78 TYR CA C 78 54.257 54.257 57.463 -3.206 25663 3007 1 6 . 1 1 78 78 TYR CB C 78 36.513 36.513 39.718 -3.205 25663 3008 1 6 . 1 1 78 78 TYR H H 78 9.313 9.313 8.005 1.308 25663 3009 1 6 . 1 1 79 79 GLY N N 79 110.776 110.776 107.335 3.441 25663 3010 1 6 . 1 1 79 79 GLY C C 79 172.389 172.389 174.147 -1.758 25663 3011 1 6 . 1 1 79 79 GLY CA C 79 44.317 44.317 43.043 1.274 25663 3012 1 6 . 1 1 79 79 GLY H H 79 8.880 8.880 7.528 1.352 25663 3013 1 6 . 1 1 80 80 ILE N N 80 117.437 117.437 118.650 -1.213 25663 3014 1 6 . 1 1 80 80 ILE HA H 80 3.897 3.897 3.712 0.185 25663 3015 1 6 . 1 1 80 80 ILE C C 80 177.495 177.495 175.854 1.641 25663 3016 1 6 . 1 1 80 80 ILE CA C 80 61.293 61.293 62.136 -0.843 25663 3017 1 6 . 1 1 80 80 ILE CB C 80 36.412 36.412 35.467 0.945 25663 3018 1 6 . 1 1 80 80 ILE H H 80 8.189 8.189 8.437 -0.248 25663 3019 1 6 . 1 1 81 81 ARG N N 81 128.585 128.585 119.988 8.597 25663 3020 1 6 . 1 1 81 81 ARG HA H 81 4.367 4.367 4.211 0.156 25663 3021 1 6 . 1 1 81 81 ARG CA C 81 52.745 52.745 55.841 -3.096 25663 3022 1 6 . 1 1 81 81 ARG CB C 81 27.133 27.133 31.199 -4.066 25663 3023 1 6 . 1 1 81 81 ARG H H 81 8.367 8.367 8.054 0.313 25663 3024 1 6 . 1 1 82 82 LEU HA H 82 4.145 4.145 4.156 -0.011 25663 3025 1 6 . 1 1 82 82 LEU C C 82 177.546 177.546 177.780 -0.234 25663 3026 1 6 . 1 1 82 82 LEU CA C 82 56.857 56.857 56.806 0.051 25663 3027 1 6 . 1 1 82 82 LEU CB C 82 42.266 42.266 41.556 0.710 25663 3028 1 6 . 1 1 82 82 LEU H H 82 8.226 8.226 8.586 -0.360 25663 3029 1 6 . 1 1 83 83 ASN N N 83 115.779 115.779 114.057 1.722 25663 3030 1 6 . 1 1 83 83 ASN HA H 83 4.913 4.913 4.748 0.165 25663 3031 1 6 . 1 1 83 83 ASN C C 83 175.764 175.764 176.317 -0.553 25663 3032 1 6 . 1 1 83 83 ASN CA C 83 51.627 51.627 52.432 -0.805 25663 3033 1 6 . 1 1 83 83 ASN CB C 83 37.505 37.505 37.723 -0.218 25663 3034 1 6 . 1 1 83 83 ASN H H 83 8.628 8.628 8.184 0.444 25663 3035 1 6 . 1 1 84 84 ARG N N 84 121.554 121.554 119.748 1.806 25663 3036 1 6 . 1 1 84 84 ARG HA H 84 4.637 4.637 3.851 0.786 25663 3037 1 6 . 1 1 84 84 ARG C C 84 177.197 177.197 176.137 1.060 25663 3038 1 6 . 1 1 84 84 ARG CA C 84 56.695 56.695 58.196 -1.501 25663 3039 1 6 . 1 1 84 84 ARG CB C 84 29.361 29.361 29.341 0.020 25663 3040 1 6 . 1 1 84 84 ARG H H 84 8.593 8.593 7.517 1.076 25663 3041 1 6 . 1 1 85 85 SER N N 85 116.623 116.623 112.396 4.227 25663 3042 1 6 . 1 1 85 85 SER HA H 85 4.628 4.628 4.612 0.016 25663 3043 1 6 . 1 1 85 85 SER C C 85 174.403 174.403 174.995 -0.592 25663 3044 1 6 . 1 1 85 85 SER CA C 85 58.827 58.827 58.728 0.099 25663 3045 1 6 . 1 1 85 85 SER CB C 85 62.996 62.996 63.362 -0.366 25663 3046 1 6 . 1 1 85 85 SER H H 85 8.567 8.567 8.083 0.484 25663 3047 1 6 . 1 1 86 86 GLU N N 86 121.171 121.171 121.412 -0.241 25663 3048 1 6 . 1 1 86 86 GLU HA H 86 3.864 3.864 4.542 -0.678 25663 3049 1 6 . 1 1 86 86 GLU C C 86 174.422 174.422 175.194 -0.772 25663 3050 1 6 . 1 1 86 86 GLU CA C 86 57.520 57.520 56.788 0.732 25663 3051 1 6 . 1 1 86 86 GLU CB C 86 31.292 31.292 31.167 0.125 25663 3052 1 6 . 1 1 86 86 GLU H H 86 7.219 7.219 8.361 -1.142 25663 3053 1 6 . 1 1 87 87 ARG N N 87 118.124 118.124 118.066 0.058 25663 3054 1 6 . 1 1 87 87 ARG HA H 87 4.687 4.687 4.890 -0.203 25663 3055 1 6 . 1 1 87 87 ARG C C 87 173.408 173.408 174.734 -1.326 25663 3056 1 6 . 1 1 87 87 ARG CA C 87 54.387 54.387 55.304 -0.917 25663 3057 1 6 . 1 1 87 87 ARG CB C 87 31.544 31.544 32.251 -0.707 25663 3058 1 6 . 1 1 87 87 ARG H H 87 7.263 7.263 8.583 -1.320 25663 3059 1 6 . 1 1 88 88 TRP N N 88 121.383 121.383 122.415 -1.032 25663 3060 1 6 . 1 1 88 88 TRP HA H 88 4.899 4.899 4.908 -0.009 25663 3061 1 6 . 1 1 88 88 TRP CA C 88 54.508 54.508 57.315 -2.807 25663 3062 1 6 . 1 1 88 88 TRP CB C 88 33.610 33.610 31.494 2.116 25663 3063 1 6 . 1 1 88 88 TRP H H 88 8.811 8.811 9.097 -0.286 25663 3064 1 6 . 1 1 89 89 ASP N N 89 119.285 119.285 119.352 -0.067 25663 3065 1 6 . 1 1 89 89 ASP HA H 89 5.602 5.602 4.676 0.926 25663 3066 1 6 . 1 1 89 89 ASP C C 89 173.648 173.648 175.311 -1.663 25663 3067 1 6 . 1 1 89 89 ASP CA C 89 54.558 54.558 54.922 -0.364 25663 3068 1 6 . 1 1 89 89 ASP CB C 89 40.438 40.438 42.114 -1.676 25663 3069 1 6 . 1 1 89 89 ASP H H 89 8.552 8.552 8.434 0.118 25663 3070 1 6 . 1 1 90 90 ALA N N 90 121.014 121.014 118.727 2.287 25663 3071 1 6 . 1 1 90 90 ALA HA H 90 5.095 5.095 4.651 0.444 25663 3072 1 6 . 1 1 90 90 ALA C C 90 175.076 175.076 175.300 -0.224 25663 3073 1 6 . 1 1 90 90 ALA CA C 90 52.089 52.089 51.820 0.269 25663 3074 1 6 . 1 1 90 90 ALA CB C 90 23.118 23.118 21.604 1.514 25663 3075 1 6 . 1 1 90 90 ALA H H 90 8.449 8.449 7.789 0.660 25663 3076 1 6 . 1 1 91 91 TYR N N 91 118.243 118.243 119.736 -1.493 25663 3077 1 6 . 1 1 91 91 TYR HA H 91 5.072 5.072 4.834 0.238 25663 3078 1 6 . 1 1 91 91 TYR C C 91 174.671 174.671 174.905 -0.234 25663 3079 1 6 . 1 1 91 91 TYR CA C 91 58.787 58.787 57.925 0.862 25663 3080 1 6 . 1 1 91 91 TYR CB C 91 40.686 40.686 40.420 0.266 25663 3081 1 6 . 1 1 91 91 TYR H H 91 8.421 8.421 7.955 0.466 25663 3082 1 6 . 1 1 92 92 CYS N N 92 119.931 119.931 121.609 -1.678 25663 3083 1 6 . 1 1 92 92 CYS HA H 92 5.263 5.263 5.146 0.117 25663 3084 1 6 . 1 1 92 92 CYS C C 92 172.698 172.698 172.767 -0.069 25663 3085 1 6 . 1 1 92 92 CYS CA C 92 50.601 50.601 57.686 -7.085 25663 3086 1 6 . 1 1 92 92 CYS CB C 92 37.818 37.818 31.009 6.809 25663 3087 1 6 . 1 1 92 92 CYS H H 92 8.459 8.459 9.006 -0.547 25663 3088 1 6 . 1 1 93 93 TYR N N 93 120.805 120.805 119.751 1.054 25663 3089 1 6 . 1 1 93 93 TYR HA H 93 4.903 4.903 5.016 -0.113 25663 3090 1 6 . 1 1 93 93 TYR C C 93 173.902 173.902 173.205 0.697 25663 3091 1 6 . 1 1 93 93 TYR CA C 93 57.096 57.096 57.545 -0.450 25663 3092 1 6 . 1 1 93 93 TYR CB C 93 41.665 41.665 42.215 -0.550 25663 3093 1 6 . 1 1 93 93 TYR H H 93 9.410 9.410 8.777 0.633 25663 3094 1 6 . 1 1 94 94 ASN N N 94 124.511 124.511 120.926 3.585 25663 3095 1 6 . 1 1 94 94 ASN HA H 94 4.774 4.774 5.164 -0.390 25663 3096 1 6 . 1 1 94 94 ASN CA C 94 49.599 49.599 50.118 -0.519 25663 3097 1 6 . 1 1 94 94 ASN CB C 94 41.642 41.642 41.298 0.344 25663 3098 1 6 . 1 1 94 94 ASN H H 94 7.832 7.832 7.148 0.684 25663 3099 1 6 . 1 1 95 95 PRO HA H 95 4.141 4.141 4.516 -0.375 25663 3100 1 6 . 1 1 95 95 PRO C C 95 176.345 176.345 176.190 0.155 25663 3101 1 6 . 1 1 95 95 PRO CA C 95 63.800 63.800 63.803 -0.003 25663 3102 1 6 . 1 1 95 95 PRO CB C 95 32.046 32.046 31.458 0.588 25663 3103 1 6 . 1 1 96 96 HIS N N 96 116.009 116.009 118.833 -2.824 25663 3104 1 6 . 1 1 96 96 HIS HA H 96 4.623 4.623 4.573 0.050 25663 3105 1 6 . 1 1 96 96 HIS C C 96 173.999 173.999 173.259 0.740 25663 3106 1 6 . 1 1 96 96 HIS CA C 96 55.046 55.046 56.119 -1.073 25663 3107 1 6 . 1 1 96 96 HIS CB C 96 28.821 28.821 30.625 -1.804 25663 3108 1 6 . 1 1 96 96 HIS H H 96 8.354 8.354 8.462 -0.108 25663 3109 1 6 . 1 1 97 97 ALA N N 97 123.775 123.775 126.620 -2.845 25663 3110 1 6 . 1 1 97 97 ALA HA H 97 4.269 4.269 4.069 0.200 25663 3111 1 6 . 1 1 97 97 ALA C C 97 176.350 176.350 176.401 -0.051 25663 3112 1 6 . 1 1 97 97 ALA CA C 97 51.796 51.796 52.670 -0.874 25663 3113 1 6 . 1 1 97 97 ALA CB C 97 19.648 19.648 19.169 0.479 25663 3114 1 6 . 1 1 97 97 ALA H H 97 7.387 7.387 8.222 -0.835 25663 3115 1 7 . 1 1 2 2 VAL N N 2 122.742 122.742 120.220 2.522 25663 3116 1 7 . 1 1 2 2 VAL HA H 2 5.257 5.257 4.016 1.241 25663 3117 1 7 . 1 1 2 2 VAL C C 2 174.533 174.533 174.777 -0.244 25663 3118 1 7 . 1 1 2 2 VAL CA C 2 60.536 60.536 61.938 -1.402 25663 3119 1 7 . 1 1 2 2 VAL CB C 2 33.278 33.278 32.334 0.944 25663 3120 1 7 . 1 1 2 2 VAL H H 2 8.486 8.486 7.314 1.172 25663 3121 1 7 . 1 1 3 3 TYR N N 3 120.172 120.172 126.209 -6.037 25663 3122 1 7 . 1 1 3 3 TYR HA H 3 4.964 4.964 5.027 -0.063 25663 3123 1 7 . 1 1 3 3 TYR C C 3 173.399 173.399 174.004 -0.605 25663 3124 1 7 . 1 1 3 3 TYR CA C 3 56.073 56.073 56.398 -0.324 25663 3125 1 7 . 1 1 3 3 TYR CB C 3 40.278 40.278 42.025 -1.747 25663 3126 1 7 . 1 1 3 3 TYR H H 3 8.715 8.715 8.471 0.244 25663 3127 1 7 . 1 1 4 4 HIS N N 4 121.237 121.237 124.519 -3.282 25663 3128 1 7 . 1 1 4 4 HIS HA H 4 4.929 4.929 4.754 0.175 25663 3129 1 7 . 1 1 4 4 HIS C C 4 172.844 172.844 173.897 -1.053 25663 3130 1 7 . 1 1 4 4 HIS CA C 4 54.154 54.154 55.552 -1.398 25663 3131 1 7 . 1 1 4 4 HIS CB C 4 30.961 30.961 30.189 0.772 25663 3132 1 7 . 1 1 4 4 HIS H H 4 9.414 9.414 8.345 1.069 25663 3133 1 7 . 1 1 5 5 ARG N N 5 128.770 128.770 126.377 2.393 25663 3134 1 7 . 1 1 5 5 ARG HA H 5 4.619 4.619 4.524 0.095 25663 3135 1 7 . 1 1 5 5 ARG C C 5 172.967 172.967 174.325 -1.358 25663 3136 1 7 . 1 1 5 5 ARG CA C 5 53.177 53.177 55.450 -2.273 25663 3137 1 7 . 1 1 5 5 ARG CB C 5 33.832 33.832 32.635 1.197 25663 3138 1 7 . 1 1 5 5 ARG H H 5 8.805 8.805 8.649 0.156 25663 3139 1 7 . 1 1 6 6 GLU N N 6 121.037 121.037 122.363 -1.326 25663 3140 1 7 . 1 1 6 6 GLU HA H 6 4.490 4.490 4.785 -0.295 25663 3141 1 7 . 1 1 6 6 GLU C C 6 176.264 176.264 174.323 1.941 25663 3142 1 7 . 1 1 6 6 GLU CA C 6 53.336 53.336 54.334 -0.998 25663 3143 1 7 . 1 1 6 6 GLU CB C 6 33.133 33.133 31.873 1.260 25663 3144 1 7 . 1 1 6 6 GLU H H 6 8.232 8.232 8.254 -0.022 25663 3145 1 7 . 1 1 7 7 ALA N N 7 123.438 123.438 122.665 0.773 25663 3146 1 7 . 1 1 7 7 ALA HA H 7 4.215 4.215 4.250 -0.035 25663 3147 1 7 . 1 1 7 7 ALA C C 7 178.419 178.419 178.036 0.383 25663 3148 1 7 . 1 1 7 7 ALA CA C 7 52.182 52.182 52.563 -0.381 25663 3149 1 7 . 1 1 7 7 ALA CB C 7 20.128 20.128 19.577 0.551 25663 3150 1 7 . 1 1 7 7 ALA H H 7 8.756 8.756 8.155 0.601 25663 3151 1 7 . 1 1 8 8 ARG N N 8 122.559 122.559 123.663 -1.104 25663 3152 1 7 . 1 1 8 8 ARG HA H 8 3.998 3.998 4.169 -0.171 25663 3153 1 7 . 1 1 8 8 ARG C C 8 177.448 177.448 177.396 0.052 25663 3154 1 7 . 1 1 8 8 ARG CA C 8 58.660 58.660 57.939 0.721 25663 3155 1 7 . 1 1 8 8 ARG CB C 8 29.406 29.406 30.244 -0.838 25663 3156 1 7 . 1 1 8 8 ARG H H 8 8.945 8.945 8.815 0.130 25663 3157 1 7 . 1 1 9 9 SER N N 9 107.309 107.309 114.355 -7.046 25663 3158 1 7 . 1 1 9 9 SER HA H 9 4.261 4.261 4.392 -0.131 25663 3159 1 7 . 1 1 9 9 SER C C 9 174.411 174.411 174.534 -0.123 25663 3160 1 7 . 1 1 9 9 SER CA C 9 58.081 58.081 58.952 -0.871 25663 3161 1 7 . 1 1 9 9 SER CB C 9 62.972 62.972 63.550 -0.578 25663 3162 1 7 . 1 1 9 9 SER H H 9 7.445 7.445 8.447 -1.002 25663 3163 1 7 . 1 1 10 10 GLY N N 10 109.574 109.574 109.366 0.208 25663 3164 1 7 . 1 1 10 10 GLY C C 10 171.580 171.580 173.112 -1.532 25663 3165 1 7 . 1 1 10 10 GLY CA C 10 44.036 44.036 45.541 -1.505 25663 3166 1 7 . 1 1 10 10 GLY H H 10 7.379 7.379 7.123 0.256 25663 3167 1 7 . 1 1 11 11 LYS N N 11 121.683 121.683 118.112 3.571 25663 3168 1 7 . 1 1 11 11 LYS HA H 11 3.993 3.993 4.357 -0.364 25663 3169 1 7 . 1 1 11 11 LYS C C 11 175.995 175.995 174.638 1.357 25663 3170 1 7 . 1 1 11 11 LYS CA C 11 57.374 57.374 56.391 0.983 25663 3171 1 7 . 1 1 11 11 LYS CB C 11 34.009 34.009 32.859 1.149 25663 3172 1 7 . 1 1 11 11 LYS H H 11 8.040 8.040 7.835 0.205 25663 3173 1 7 . 1 1 12 12 TYR N N 12 122.956 122.956 117.529 5.427 25663 3174 1 7 . 1 1 12 12 TYR HA H 12 3.990 3.990 4.753 -0.763 25663 3175 1 7 . 1 1 12 12 TYR C C 12 173.905 173.905 174.867 -0.962 25663 3176 1 7 . 1 1 12 12 TYR CA C 12 54.397 54.397 54.544 -0.147 25663 3177 1 7 . 1 1 12 12 TYR CB C 12 32.105 32.105 36.852 -4.747 25663 3178 1 7 . 1 1 12 12 TYR H H 12 9.830 9.830 7.511 2.319 25663 3179 1 7 . 1 1 13 13 LYS N N 13 114.683 114.683 122.442 -7.759 25663 3180 1 7 . 1 1 13 13 LYS HA H 13 4.577 4.577 4.571 0.006 25663 3181 1 7 . 1 1 13 13 LYS C C 13 176.999 176.999 175.144 1.855 25663 3182 1 7 . 1 1 13 13 LYS CA C 13 55.014 55.014 55.493 -0.479 25663 3183 1 7 . 1 1 13 13 LYS CB C 13 35.021 35.021 33.448 1.573 25663 3184 1 7 . 1 1 13 13 LYS H H 13 8.445 8.445 8.198 0.247 25663 3185 1 7 . 1 1 14 14 LEU N N 14 123.176 123.176 121.850 1.326 25663 3186 1 7 . 1 1 14 14 LEU HA H 14 5.122 5.122 5.165 -0.043 25663 3187 1 7 . 1 1 14 14 LEU C C 14 178.304 178.304 176.408 1.896 25663 3188 1 7 . 1 1 14 14 LEU CA C 14 54.800 54.800 53.597 1.203 25663 3189 1 7 . 1 1 14 14 LEU CB C 14 43.528 43.528 44.397 -0.869 25663 3190 1 7 . 1 1 14 14 LEU H H 14 9.479 9.479 8.050 1.429 25663 3191 1 7 . 1 1 15 15 THR N N 15 116.144 116.144 114.013 2.131 25663 3192 1 7 . 1 1 15 15 THR HA H 15 5.485 5.485 4.561 0.924 25663 3193 1 7 . 1 1 15 15 THR C C 15 174.697 174.697 175.166 -0.469 25663 3194 1 7 . 1 1 15 15 THR CA C 15 61.722 61.722 59.417 2.305 25663 3195 1 7 . 1 1 15 15 THR CB C 15 70.914 70.914 71.367 -0.453 25663 3196 1 7 . 1 1 15 15 THR H H 15 8.792 8.792 8.359 0.433 25663 3197 1 7 . 1 1 16 16 TYR N N 16 120.594 120.594 120.566 0.028 25663 3198 1 7 . 1 1 16 16 TYR HA H 16 2.375 2.375 3.772 -1.397 25663 3199 1 7 . 1 1 16 16 TYR C C 16 176.133 176.133 176.958 -0.825 25663 3200 1 7 . 1 1 16 16 TYR CA C 16 61.408 61.408 60.727 0.681 25663 3201 1 7 . 1 1 16 16 TYR CB C 16 36.889 36.889 36.113 0.776 25663 3202 1 7 . 1 1 16 16 TYR H H 16 7.402 7.402 8.083 -0.681 25663 3203 1 7 . 1 1 17 17 ALA N N 17 118.108 118.108 120.292 -2.184 25663 3204 1 7 . 1 1 17 17 ALA HA H 17 3.509 3.509 3.667 -0.158 25663 3205 1 7 . 1 1 17 17 ALA C C 17 181.575 181.575 179.611 1.964 25663 3206 1 7 . 1 1 17 17 ALA CA C 17 54.732 54.732 54.765 -0.033 25663 3207 1 7 . 1 1 17 17 ALA CB C 17 18.124 18.124 17.229 0.895 25663 3208 1 7 . 1 1 17 17 ALA H H 17 8.545 8.545 6.620 1.925 25663 3209 1 7 . 1 1 18 18 GLU N N 18 117.696 117.696 118.848 -1.152 25663 3210 1 7 . 1 1 18 18 GLU HA H 18 3.879 3.879 3.841 0.038 25663 3211 1 7 . 1 1 18 18 GLU C C 18 178.624 178.624 178.847 -0.223 25663 3212 1 7 . 1 1 18 18 GLU CA C 18 58.432 58.432 59.038 -0.606 25663 3213 1 7 . 1 1 18 18 GLU CB C 18 30.814 30.814 29.517 1.297 25663 3214 1 7 . 1 1 18 18 GLU H H 18 7.327 7.327 7.380 -0.053 25663 3215 1 7 . 1 1 19 19 ALA N N 19 124.629 124.629 121.989 2.640 25663 3216 1 7 . 1 1 19 19 ALA HA H 19 3.871 3.871 4.011 -0.140 25663 3217 1 7 . 1 1 19 19 ALA C C 19 177.371 177.371 179.615 -2.244 25663 3218 1 7 . 1 1 19 19 ALA CA C 19 54.955 54.955 55.316 -0.360 25663 3219 1 7 . 1 1 19 19 ALA CB C 19 19.893 19.893 18.452 1.441 25663 3220 1 7 . 1 1 19 19 ALA H H 19 8.744 8.744 8.569 0.175 25663 3221 1 7 . 1 1 20 20 LYS N N 20 117.842 117.842 117.929 -0.087 25663 3222 1 7 . 1 1 20 20 LYS HA H 20 3.435 3.435 4.043 -0.608 25663 3223 1 7 . 1 1 20 20 LYS C C 20 178.017 178.017 178.501 -0.484 25663 3224 1 7 . 1 1 20 20 LYS CA C 20 60.086 60.086 59.359 0.727 25663 3225 1 7 . 1 1 20 20 LYS CB C 20 33.186 33.186 32.560 0.626 25663 3226 1 7 . 1 1 20 20 LYS H H 20 8.188 8.188 8.124 0.064 25663 3227 1 7 . 1 1 21 21 ALA N N 21 117.564 117.564 122.060 -4.496 25663 3228 1 7 . 1 1 21 21 ALA HA H 21 4.040 4.040 4.081 -0.041 25663 3229 1 7 . 1 1 21 21 ALA C C 21 180.598 180.598 179.650 0.948 25663 3230 1 7 . 1 1 21 21 ALA CA C 21 54.991 54.991 54.733 0.258 25663 3231 1 7 . 1 1 21 21 ALA CB C 21 18.071 18.071 18.587 -0.516 25663 3232 1 7 . 1 1 21 21 ALA H H 21 7.382 7.382 7.695 -0.313 25663 3233 1 7 . 1 1 22 22 VAL N N 22 120.351 120.351 116.283 4.068 25663 3234 1 7 . 1 1 22 22 VAL HA H 22 3.883 3.883 3.831 0.052 25663 3235 1 7 . 1 1 22 22 VAL C C 22 177.921 177.921 176.278 1.643 25663 3236 1 7 . 1 1 22 22 VAL CA C 22 66.242 66.242 65.999 0.243 25663 3237 1 7 . 1 1 22 22 VAL CB C 22 31.136 31.136 31.945 -0.809 25663 3238 1 7 . 1 1 22 22 VAL H H 22 8.203 8.203 7.869 0.334 25663 3239 1 7 . 1 1 23 23 CYS N N 23 116.368 116.368 115.379 0.989 25663 3240 1 7 . 1 1 23 23 CYS HA H 23 4.352 4.352 4.671 -0.319 25663 3241 1 7 . 1 1 23 23 CYS C C 23 178.687 178.687 175.614 3.073 25663 3242 1 7 . 1 1 23 23 CYS CA C 23 55.224 55.224 58.566 -3.342 25663 3243 1 7 . 1 1 23 23 CYS CB C 23 33.542 33.542 28.808 4.734 25663 3244 1 7 . 1 1 23 23 CYS H H 23 7.788 7.788 7.775 0.013 25663 3245 1 7 . 1 1 24 24 GLU N N 24 120.341 120.341 121.384 -1.043 25663 3246 1 7 . 1 1 24 24 GLU HA H 24 4.259 4.259 4.069 0.190 25663 3247 1 7 . 1 1 24 24 GLU C C 24 180.516 180.516 177.769 2.747 25663 3248 1 7 . 1 1 24 24 GLU CA C 24 58.412 58.412 59.038 -0.626 25663 3249 1 7 . 1 1 24 24 GLU CB C 24 28.855 28.855 28.943 -0.088 25663 3250 1 7 . 1 1 24 24 GLU H H 24 8.196 8.196 8.968 -0.772 25663 3251 1 7 . 1 1 25 25 PHE N N 25 124.937 124.937 121.300 3.637 25663 3252 1 7 . 1 1 25 25 PHE HA H 25 4.267 4.267 4.315 -0.048 25663 3253 1 7 . 1 1 25 25 PHE C C 25 177.593 177.593 176.445 1.148 25663 3254 1 7 . 1 1 25 25 PHE CA C 25 60.845 60.845 60.687 0.159 25663 3255 1 7 . 1 1 25 25 PHE CB C 25 39.035 39.035 39.666 -0.631 25663 3256 1 7 . 1 1 25 25 PHE H H 25 8.946 8.946 8.567 0.379 25663 3257 1 7 . 1 1 26 26 GLU N N 26 114.486 114.486 118.390 -3.904 25663 3258 1 7 . 1 1 26 26 GLU HA H 26 4.090 4.090 4.311 -0.221 25663 3259 1 7 . 1 1 26 26 GLU C C 26 175.712 175.712 177.229 -1.517 25663 3260 1 7 . 1 1 26 26 GLU CA C 26 56.249 56.249 55.977 0.272 25663 3261 1 7 . 1 1 26 26 GLU CB C 26 29.418 29.418 29.149 0.268 25663 3262 1 7 . 1 1 26 26 GLU H H 26 7.359 7.359 8.406 -1.047 25663 3263 1 7 . 1 1 27 27 GLY N N 27 106.503 106.503 108.084 -1.581 25663 3264 1 7 . 1 1 27 27 GLY C C 27 174.107 174.107 174.759 -0.652 25663 3265 1 7 . 1 1 27 27 GLY CA C 27 45.426 45.426 45.223 0.203 25663 3266 1 7 . 1 1 27 27 GLY H H 27 7.695 7.695 7.793 -0.098 25663 3267 1 7 . 1 1 28 28 GLY N N 28 109.515 109.515 108.234 1.281 25663 3268 1 7 . 1 1 28 28 GLY C C 28 172.079 172.079 173.037 -0.958 25663 3269 1 7 . 1 1 28 28 GLY CA C 28 43.788 43.788 44.622 -0.834 25663 3270 1 7 . 1 1 28 28 GLY H H 28 7.745 7.745 7.885 -0.140 25663 3271 1 7 . 1 1 29 29 HIS N N 29 116.220 116.220 117.274 -1.054 25663 3272 1 7 . 1 1 29 29 HIS HA H 29 4.865 4.865 4.734 0.131 25663 3273 1 7 . 1 1 29 29 HIS C C 29 174.118 174.118 173.593 0.525 25663 3274 1 7 . 1 1 29 29 HIS CA C 29 54.169 54.169 55.841 -1.672 25663 3275 1 7 . 1 1 29 29 HIS CB C 29 33.436 33.436 33.334 0.102 25663 3276 1 7 . 1 1 29 29 HIS H H 29 8.412 8.412 8.474 -0.062 25663 3277 1 7 . 1 1 30 30 LEU N N 30 124.046 124.046 124.796 -0.750 25663 3278 1 7 . 1 1 30 30 LEU HA H 30 4.912 4.912 4.630 0.282 25663 3279 1 7 . 1 1 30 30 LEU C C 30 178.158 178.158 177.380 0.778 25663 3280 1 7 . 1 1 30 30 LEU CA C 30 56.817 56.817 55.158 1.659 25663 3281 1 7 . 1 1 30 30 LEU CB C 30 42.534 42.534 42.826 -0.292 25663 3282 1 7 . 1 1 30 30 LEU H H 30 9.399 9.399 8.138 1.261 25663 3283 1 7 . 1 1 31 31 ALA N N 31 126.730 126.730 127.304 -0.574 25663 3284 1 7 . 1 1 31 31 ALA HA H 31 4.403 4.403 4.319 0.084 25663 3285 1 7 . 1 1 31 31 ALA C C 31 176.879 176.879 177.116 -0.237 25663 3286 1 7 . 1 1 31 31 ALA CA C 31 52.006 52.006 52.670 -0.664 25663 3287 1 7 . 1 1 31 31 ALA CB C 31 19.593 19.593 18.061 1.532 25663 3288 1 7 . 1 1 31 31 ALA H H 31 9.331 9.331 8.749 0.582 25663 3289 1 7 . 1 1 32 32 THR N N 32 111.206 111.206 118.489 -7.283 25663 3290 1 7 . 1 1 32 32 THR HA H 32 4.528 4.528 4.506 0.022 25663 3291 1 7 . 1 1 32 32 THR C C 32 174.899 174.899 174.877 0.022 25663 3292 1 7 . 1 1 32 32 THR CA C 32 59.818 59.818 61.030 -1.212 25663 3293 1 7 . 1 1 32 32 THR CB C 32 70.949 70.949 71.062 -0.113 25663 3294 1 7 . 1 1 32 32 THR H H 32 8.511 8.511 7.841 0.670 25663 3295 1 7 . 1 1 33 33 TYR N N 33 121.971 121.971 124.521 -2.550 25663 3296 1 7 . 1 1 33 33 TYR HA H 33 3.745 3.745 3.988 -0.243 25663 3297 1 7 . 1 1 33 33 TYR C C 33 176.176 176.176 177.379 -1.203 25663 3298 1 7 . 1 1 33 33 TYR CA C 33 62.320 62.320 63.227 -0.907 25663 3299 1 7 . 1 1 33 33 TYR CB C 33 38.737 38.737 38.241 0.496 25663 3300 1 7 . 1 1 33 33 TYR H H 33 8.623 8.623 9.031 -0.408 25663 3301 1 7 . 1 1 34 34 LYS N N 34 116.509 116.509 117.667 -1.158 25663 3302 1 7 . 1 1 34 34 LYS HA H 34 3.905 3.905 3.865 0.040 25663 3303 1 7 . 1 1 34 34 LYS C C 34 180.207 180.207 179.032 1.175 25663 3304 1 7 . 1 1 34 34 LYS CA C 34 59.854 59.854 59.845 0.009 25663 3305 1 7 . 1 1 34 34 LYS CB C 34 32.743 32.743 31.982 0.761 25663 3306 1 7 . 1 1 34 34 LYS H H 34 8.284 8.284 8.451 -0.167 25663 3307 1 7 . 1 1 35 35 GLN N N 35 119.270 119.270 118.024 1.246 25663 3308 1 7 . 1 1 35 35 GLN HA H 35 3.822 3.822 4.071 -0.249 25663 3309 1 7 . 1 1 35 35 GLN C C 35 179.050 179.050 178.613 0.437 25663 3310 1 7 . 1 1 35 35 GLN CA C 35 58.402 58.402 58.234 0.168 25663 3311 1 7 . 1 1 35 35 GLN CB C 35 26.715 26.715 27.977 -1.262 25663 3312 1 7 . 1 1 35 35 GLN H H 35 7.747 7.747 8.060 -0.313 25663 3313 1 7 . 1 1 36 36 LEU N N 36 122.992 122.992 120.946 2.046 25663 3314 1 7 . 1 1 36 36 LEU HA H 36 3.891 3.891 3.693 0.198 25663 3315 1 7 . 1 1 36 36 LEU C C 36 177.812 177.812 178.714 -0.902 25663 3316 1 7 . 1 1 36 36 LEU CA C 36 58.166 58.166 57.852 0.313 25663 3317 1 7 . 1 1 36 36 LEU CB C 36 41.981 41.981 41.666 0.315 25663 3318 1 7 . 1 1 36 36 LEU H H 36 8.473 8.473 8.674 -0.201 25663 3319 1 7 . 1 1 37 37 GLU N N 37 120.512 120.512 119.177 1.335 25663 3320 1 7 . 1 1 37 37 GLU HA H 37 4.244 4.244 3.732 0.512 25663 3321 1 7 . 1 1 37 37 GLU C C 37 177.984 177.984 178.376 -0.392 25663 3322 1 7 . 1 1 37 37 GLU CA C 37 58.018 58.018 59.032 -1.014 25663 3323 1 7 . 1 1 37 37 GLU CB C 37 28.236 28.236 28.971 -0.735 25663 3324 1 7 . 1 1 37 37 GLU H H 37 8.526 8.526 8.072 0.454 25663 3325 1 7 . 1 1 38 38 ALA N N 38 121.256 121.256 120.726 0.530 25663 3326 1 7 . 1 1 38 38 ALA HA H 38 3.995 3.995 4.115 -0.120 25663 3327 1 7 . 1 1 38 38 ALA C C 38 180.513 180.513 179.300 1.213 25663 3328 1 7 . 1 1 38 38 ALA CA C 38 54.968 54.968 54.541 0.426 25663 3329 1 7 . 1 1 38 38 ALA CB C 38 17.792 17.792 18.154 -0.362 25663 3330 1 7 . 1 1 38 38 ALA H H 38 7.806 7.806 7.183 0.623 25663 3331 1 7 . 1 1 39 39 ALA N N 39 120.185 120.185 120.406 -0.221 25663 3332 1 7 . 1 1 39 39 ALA HA H 39 4.164 4.164 4.202 -0.038 25663 3333 1 7 . 1 1 39 39 ALA C C 39 180.063 180.063 179.558 0.505 25663 3334 1 7 . 1 1 39 39 ALA CA C 39 54.064 54.064 53.592 0.472 25663 3335 1 7 . 1 1 39 39 ALA CB C 39 17.883 17.883 18.562 -0.679 25663 3336 1 7 . 1 1 39 39 ALA H H 39 7.495 7.495 7.416 0.079 25663 3337 1 7 . 1 1 40 40 ARG N N 40 124.604 124.604 119.993 4.611 25663 3338 1 7 . 1 1 40 40 ARG HA H 40 4.658 4.658 4.160 0.498 25663 3339 1 7 . 1 1 40 40 ARG C C 40 180.610 180.610 178.510 2.100 25663 3340 1 7 . 1 1 40 40 ARG CA C 40 58.559 58.559 58.375 0.184 25663 3341 1 7 . 1 1 40 40 ARG CB C 40 30.707 30.707 29.730 0.977 25663 3342 1 7 . 1 1 40 40 ARG H H 40 8.789 8.789 8.435 0.354 25663 3343 1 7 . 1 1 41 41 LYS N N 41 117.810 117.810 118.882 -1.072 25663 3344 1 7 . 1 1 41 41 LYS HA H 41 3.925 3.925 4.223 -0.298 25663 3345 1 7 . 1 1 41 41 LYS C C 41 178.134 178.134 177.446 0.688 25663 3346 1 7 . 1 1 41 41 LYS CA C 41 59.409 59.409 58.248 1.161 25663 3347 1 7 . 1 1 41 41 LYS CB C 41 32.786 32.786 32.369 0.417 25663 3348 1 7 . 1 1 41 41 LYS H H 41 8.267 8.267 7.586 0.681 25663 3349 1 7 . 1 1 42 42 ILE N N 42 110.889 110.889 118.763 -7.874 25663 3350 1 7 . 1 1 42 42 ILE HA H 42 4.581 4.581 4.160 0.421 25663 3351 1 7 . 1 1 42 42 ILE C C 42 176.527 176.527 176.250 0.277 25663 3352 1 7 . 1 1 42 42 ILE CA C 42 60.751 60.751 61.501 -0.750 25663 3353 1 7 . 1 1 42 42 ILE CB C 42 37.739 37.739 37.973 -0.234 25663 3354 1 7 . 1 1 42 42 ILE H H 42 7.263 7.263 8.069 -0.806 25663 3355 1 7 . 1 1 43 43 GLY N N 43 108.366 108.366 108.811 -0.445 25663 3356 1 7 . 1 1 43 43 GLY C C 43 173.880 173.880 174.450 -0.570 25663 3357 1 7 . 1 1 43 43 GLY CA C 43 45.585 45.585 44.846 0.739 25663 3358 1 7 . 1 1 43 43 GLY H H 43 7.816 7.816 7.507 0.309 25663 3359 1 7 . 1 1 44 44 PHE N N 44 125.650 125.650 120.697 4.953 25663 3360 1 7 . 1 1 44 44 PHE HA H 44 4.510 4.510 4.399 0.111 25663 3361 1 7 . 1 1 44 44 PHE C C 44 171.183 171.183 174.809 -3.626 25663 3362 1 7 . 1 1 44 44 PHE CA C 44 59.012 59.012 59.128 -0.116 25663 3363 1 7 . 1 1 44 44 PHE CB C 44 39.986 39.986 39.684 0.302 25663 3364 1 7 . 1 1 44 44 PHE H H 44 8.003 8.003 7.563 0.440 25663 3365 1 7 . 1 1 45 45 HIS N N 45 126.999 126.999 127.070 -0.071 25663 3366 1 7 . 1 1 45 45 HIS HA H 45 4.728 4.728 4.688 0.040 25663 3367 1 7 . 1 1 45 45 HIS C C 45 175.134 175.134 173.072 2.062 25663 3368 1 7 . 1 1 45 45 HIS CA C 45 55.539 55.539 55.669 -0.130 25663 3369 1 7 . 1 1 45 45 HIS CB C 45 34.586 34.586 31.065 3.521 25663 3370 1 7 . 1 1 45 45 HIS H H 45 7.326 7.326 8.008 -0.682 25663 3371 1 7 . 1 1 46 46 VAL N N 46 126.425 126.425 126.589 -0.164 25663 3372 1 7 . 1 1 46 46 VAL HA H 46 3.665 3.665 4.099 -0.434 25663 3373 1 7 . 1 1 46 46 VAL CA C 46 61.647 61.647 61.859 -0.212 25663 3374 1 7 . 1 1 46 46 VAL CB C 46 35.141 35.141 34.403 0.738 25663 3375 1 7 . 1 1 46 46 VAL H H 46 8.147 8.147 8.257 -0.110 25663 3376 1 7 . 1 1 47 47 CYS N N 47 127.308 127.308 130.676 -3.368 25663 3377 1 7 . 1 1 47 47 CYS HA H 47 4.470 4.470 4.883 -0.413 25663 3378 1 7 . 1 1 47 47 CYS C C 47 172.533 172.533 173.421 -0.888 25663 3379 1 7 . 1 1 47 47 CYS CA C 47 55.259 55.259 58.493 -3.234 25663 3380 1 7 . 1 1 47 47 CYS CB C 47 44.867 44.867 24.796 20.072 25663 3381 1 7 . 1 1 47 47 CYS H H 47 8.675 8.675 8.736 -0.061 25663 3382 1 7 . 1 1 48 48 ALA N N 48 120.376 120.376 128.689 -8.313 25663 3383 1 7 . 1 1 48 48 ALA HA H 48 4.278 4.278 4.375 -0.097 25663 3384 1 7 . 1 1 48 48 ALA C C 48 173.936 173.936 174.557 -0.621 25663 3385 1 7 . 1 1 48 48 ALA CA C 48 51.286 51.286 51.895 -0.609 25663 3386 1 7 . 1 1 48 48 ALA CB C 48 19.831 19.831 20.987 -1.156 25663 3387 1 7 . 1 1 48 48 ALA H H 48 6.500 6.500 7.404 -0.904 25663 3388 1 7 . 1 1 49 49 ALA N N 49 130.715 130.715 125.654 5.061 25663 3389 1 7 . 1 1 49 49 ALA HA H 49 3.834 3.834 4.034 -0.200 25663 3390 1 7 . 1 1 49 49 ALA C C 49 176.061 176.061 176.183 -0.122 25663 3391 1 7 . 1 1 49 49 ALA CA C 49 53.466 53.466 52.049 1.417 25663 3392 1 7 . 1 1 49 49 ALA CB C 49 18.332 18.332 19.458 -1.126 25663 3393 1 7 . 1 1 49 49 ALA H H 49 8.424 8.424 8.043 0.381 25663 3394 1 7 . 1 1 50 50 GLY N N 50 107.085 107.085 109.350 -2.265 25663 3395 1 7 . 1 1 50 50 GLY C C 50 170.793 170.793 172.053 -1.260 25663 3396 1 7 . 1 1 50 50 GLY CA C 50 43.792 43.792 44.737 -0.945 25663 3397 1 7 . 1 1 50 50 GLY H H 50 8.746 8.746 7.935 0.811 25663 3398 1 7 . 1 1 51 51 TRP N N 51 121.565 121.565 119.920 1.645 25663 3399 1 7 . 1 1 51 51 TRP HA H 51 4.960 4.960 4.887 0.073 25663 3400 1 7 . 1 1 51 51 TRP C C 51 174.095 174.095 175.578 -1.483 25663 3401 1 7 . 1 1 51 51 TRP CA C 51 58.852 58.852 57.470 1.382 25663 3402 1 7 . 1 1 51 51 TRP CB C 51 32.034 32.034 32.274 -0.240 25663 3403 1 7 . 1 1 51 51 TRP H H 51 8.596 8.596 8.440 0.156 25663 3404 1 7 . 1 1 52 52 MET N N 52 118.713 118.713 117.083 1.630 25663 3405 1 7 . 1 1 52 52 MET HA H 52 4.945 4.945 5.015 -0.070 25663 3406 1 7 . 1 1 52 52 MET C C 52 174.575 174.575 175.153 -0.578 25663 3407 1 7 . 1 1 52 52 MET CA C 52 54.277 54.277 53.840 0.437 25663 3408 1 7 . 1 1 52 52 MET CB C 52 39.146 39.146 37.781 1.365 25663 3409 1 7 . 1 1 52 52 MET H H 52 9.116 9.116 9.087 0.029 25663 3410 1 7 . 1 1 53 53 ALA N N 53 120.116 120.116 122.803 -2.687 25663 3411 1 7 . 1 1 53 53 ALA HA H 53 4.186 4.186 4.096 0.090 25663 3412 1 7 . 1 1 53 53 ALA C C 53 178.250 178.250 178.277 -0.027 25663 3413 1 7 . 1 1 53 53 ALA CA C 53 53.791 53.791 53.563 0.228 25663 3414 1 7 . 1 1 53 53 ALA CB C 53 19.462 19.462 18.982 0.480 25663 3415 1 7 . 1 1 53 53 ALA H H 53 8.517 8.517 8.630 -0.113 25663 3416 1 7 . 1 1 54 54 LYS N N 54 112.641 112.641 118.929 -6.288 25663 3417 1 7 . 1 1 54 54 LYS HA H 54 3.857 3.857 3.950 -0.093 25663 3418 1 7 . 1 1 54 54 LYS C C 54 175.913 175.913 176.247 -0.334 25663 3419 1 7 . 1 1 54 54 LYS CA C 54 57.608 57.608 56.902 0.706 25663 3420 1 7 . 1 1 54 54 LYS CB C 54 29.796 29.796 30.326 -0.530 25663 3421 1 7 . 1 1 54 54 LYS H H 54 8.866 8.866 8.953 -0.087 25663 3422 1 7 . 1 1 55 55 GLY N N 55 104.227 104.227 103.060 1.167 25663 3423 1 7 . 1 1 55 55 GLY C C 55 173.820 173.820 174.814 -0.994 25663 3424 1 7 . 1 1 55 55 GLY CA C 55 45.933 45.933 45.687 0.246 25663 3425 1 7 . 1 1 55 55 GLY H H 55 8.239 8.239 8.600 -0.361 25663 3426 1 7 . 1 1 56 56 ARG N N 56 122.045 122.045 120.436 1.609 25663 3427 1 7 . 1 1 56 56 ARG HA H 56 4.771 4.771 4.397 0.374 25663 3428 1 7 . 1 1 56 56 ARG C C 56 173.828 173.828 174.708 -0.880 25663 3429 1 7 . 1 1 56 56 ARG CA C 56 55.010 55.010 56.705 -1.695 25663 3430 1 7 . 1 1 56 56 ARG CB C 56 31.939 31.939 31.649 0.290 25663 3431 1 7 . 1 1 56 56 ARG H H 56 6.825 6.825 7.787 -0.962 25663 3432 1 7 . 1 1 57 57 VAL N N 57 122.581 122.581 119.289 3.292 25663 3433 1 7 . 1 1 57 57 VAL HA H 57 4.632 4.632 5.020 -0.388 25663 3434 1 7 . 1 1 57 57 VAL C C 57 173.775 173.775 174.265 -0.490 25663 3435 1 7 . 1 1 57 57 VAL CA C 57 59.946 59.946 60.039 -0.093 25663 3436 1 7 . 1 1 57 57 VAL CB C 57 35.191 35.191 34.432 0.759 25663 3437 1 7 . 1 1 57 57 VAL H H 57 7.084 7.084 7.925 -0.841 25663 3438 1 7 . 1 1 58 58 GLY N N 58 112.994 112.994 114.058 -1.064 25663 3439 1 7 . 1 1 58 58 GLY C C 58 171.431 171.431 172.388 -0.957 25663 3440 1 7 . 1 1 58 58 GLY CA C 58 46.285 46.285 46.016 0.269 25663 3441 1 7 . 1 1 58 58 GLY H H 58 8.112 8.112 7.765 0.347 25663 3442 1 7 . 1 1 59 59 TYR N N 59 111.540 111.540 113.928 -2.388 25663 3443 1 7 . 1 1 59 59 TYR HA H 59 4.337 4.337 4.910 -0.573 25663 3444 1 7 . 1 1 59 59 TYR CA C 59 55.972 55.972 55.512 0.460 25663 3445 1 7 . 1 1 59 59 TYR CB C 59 34.363 34.363 39.313 -4.950 25663 3446 1 7 . 1 1 59 59 TYR H H 59 7.796 7.796 7.820 -0.024 25663 3447 1 7 . 1 1 60 60 PRO HA H 60 4.497 4.497 4.528 -0.031 25663 3448 1 7 . 1 1 60 60 PRO CA C 60 62.231 62.231 62.858 -0.627 25663 3449 1 7 . 1 1 60 60 PRO CB C 60 33.314 33.314 32.696 0.618 25663 3450 1 7 . 1 1 61 61 ILE HA H 61 4.444 4.444 4.468 -0.024 25663 3451 1 7 . 1 1 61 61 ILE CA C 61 56.601 56.601 60.461 -3.860 25663 3452 1 7 . 1 1 61 61 ILE CB C 61 38.417 38.417 39.294 -0.877 25663 3453 1 7 . 1 1 62 62 VAL HA H 62 3.935 3.935 3.876 0.059 25663 3454 1 7 . 1 1 62 62 VAL CA C 62 64.377 64.377 64.381 -0.004 25663 3455 1 7 . 1 1 62 62 VAL CB C 62 34.087 34.087 31.691 2.396 25663 3456 1 7 . 1 1 62 62 VAL H H 62 11.229 11.229 8.208 3.021 25663 3457 1 7 . 1 1 63 63 LYS N N 63 122.578 122.578 119.649 2.929 25663 3458 1 7 . 1 1 63 63 LYS HA H 63 4.753 4.753 4.574 0.179 25663 3459 1 7 . 1 1 63 63 LYS CA C 63 52.473 52.473 52.575 -0.102 25663 3460 1 7 . 1 1 63 63 LYS CB C 63 32.983 32.983 33.537 -0.554 25663 3461 1 7 . 1 1 63 63 LYS H H 63 7.501 7.501 7.312 0.189 25663 3462 1 7 . 1 1 64 64 PRO HA H 64 4.362 4.362 4.303 0.059 25663 3463 1 7 . 1 1 64 64 PRO CA C 64 63.124 63.124 63.098 0.026 25663 3464 1 7 . 1 1 64 64 PRO CB C 64 32.121 32.121 32.364 -0.243 25663 3465 1 7 . 1 1 65 65 GLY CA C 65 45.512 45.512 43.493 2.019 25663 3466 1 7 . 1 1 65 65 GLY H H 65 8.377 8.377 8.629 -0.252 25663 3467 1 7 . 1 1 66 66 PRO HA H 66 4.010 4.010 4.308 -0.298 25663 3468 1 7 . 1 1 66 66 PRO C C 66 177.072 177.072 176.646 0.426 25663 3469 1 7 . 1 1 66 66 PRO CA C 66 64.765 64.765 65.239 -0.474 25663 3470 1 7 . 1 1 66 66 PRO CB C 66 32.121 32.121 32.087 0.034 25663 3471 1 7 . 1 1 67 67 ASN N N 67 114.419 114.419 112.682 1.737 25663 3472 1 7 . 1 1 67 67 ASN HA H 67 4.995 4.995 4.740 0.255 25663 3473 1 7 . 1 1 67 67 ASN C C 67 173.872 173.872 173.750 0.122 25663 3474 1 7 . 1 1 67 67 ASN CA C 67 52.349 52.349 52.708 -0.359 25663 3475 1 7 . 1 1 67 67 ASN CB C 67 38.955 38.955 37.745 1.210 25663 3476 1 7 . 1 1 67 67 ASN H H 67 8.330 8.330 8.354 -0.024 25663 3477 1 7 . 1 1 68 68 CYS N N 68 118.995 118.995 116.541 2.454 25663 3478 1 7 . 1 1 68 68 CYS HA H 68 5.034 5.034 4.571 0.463 25663 3479 1 7 . 1 1 68 68 CYS CA C 68 54.247 54.247 58.126 -3.878 25663 3480 1 7 . 1 1 68 68 CYS CB C 68 44.260 44.260 31.023 13.237 25663 3481 1 7 . 1 1 68 68 CYS H H 68 7.327 7.327 7.104 0.223 25663 3482 1 7 . 1 1 70 70 PHE HA H 70 4.305 4.305 4.317 -0.012 25663 3483 1 7 . 1 1 70 70 PHE CA C 70 58.889 58.889 59.477 -0.588 25663 3484 1 7 . 1 1 70 70 PHE CB C 70 36.557 36.557 38.913 -2.356 25663 3485 1 7 . 1 1 71 71 GLY N N 71 105.368 105.368 105.000 0.368 25663 3486 1 7 . 1 1 71 71 GLY CA C 71 46.043 46.043 44.916 1.127 25663 3487 1 7 . 1 1 71 71 GLY H H 71 7.339 7.339 8.008 -0.669 25663 3488 1 7 . 1 1 72 72 LYS N N 72 120.404 120.404 121.137 -0.733 25663 3489 1 7 . 1 1 72 72 LYS HA H 72 4.264 4.264 4.445 -0.181 25663 3490 1 7 . 1 1 72 72 LYS C C 72 175.440 175.440 175.706 -0.266 25663 3491 1 7 . 1 1 72 72 LYS CA C 72 56.413 56.413 56.371 0.042 25663 3492 1 7 . 1 1 72 72 LYS CB C 72 33.686 33.686 33.142 0.544 25663 3493 1 7 . 1 1 72 72 LYS H H 72 6.946 6.946 8.122 -1.176 25663 3494 1 7 . 1 1 73 73 THR N N 73 110.334 110.334 112.441 -2.107 25663 3495 1 7 . 1 1 73 73 THR HA H 73 4.233 4.233 4.803 -0.570 25663 3496 1 7 . 1 1 73 73 THR C C 73 173.774 173.774 174.273 -0.499 25663 3497 1 7 . 1 1 73 73 THR CA C 73 60.879 60.879 60.502 0.377 25663 3498 1 7 . 1 1 73 73 THR CB C 73 70.841 70.841 70.973 -0.132 25663 3499 1 7 . 1 1 73 73 THR H H 73 7.911 7.911 8.056 -0.145 25663 3500 1 7 . 1 1 74 74 GLY N N 74 109.589 109.589 114.469 -4.880 25663 3501 1 7 . 1 1 74 74 GLY C C 74 172.715 172.715 172.653 0.062 25663 3502 1 7 . 1 1 74 74 GLY CA C 74 43.404 43.404 45.358 -1.954 25663 3503 1 7 . 1 1 74 74 GLY H H 74 7.904 7.904 8.629 -0.725 25663 3504 1 7 . 1 1 75 75 ILE N N 75 120.787 120.787 119.313 1.474 25663 3505 1 7 . 1 1 75 75 ILE HA H 75 4.221 4.221 4.085 0.136 25663 3506 1 7 . 1 1 75 75 ILE C C 75 176.249 176.249 174.168 2.081 25663 3507 1 7 . 1 1 75 75 ILE CA C 75 59.422 59.422 61.180 -1.758 25663 3508 1 7 . 1 1 75 75 ILE CB C 75 36.008 36.008 40.175 -4.167 25663 3509 1 7 . 1 1 75 75 ILE H H 75 8.265 8.265 7.692 0.573 25663 3510 1 7 . 1 1 76 76 ILE N N 76 134.542 134.542 128.242 6.300 25663 3511 1 7 . 1 1 76 76 ILE HA H 76 3.587 3.587 4.146 -0.559 25663 3512 1 7 . 1 1 76 76 ILE C C 76 173.769 173.769 174.275 -0.506 25663 3513 1 7 . 1 1 76 76 ILE CA C 76 59.599 59.599 59.085 0.514 25663 3514 1 7 . 1 1 76 76 ILE CB C 76 33.139 33.139 35.984 -2.845 25663 3515 1 7 . 1 1 76 76 ILE H H 76 8.660 8.660 8.199 0.461 25663 3516 1 7 . 1 1 77 77 ASP N N 77 126.213 126.213 122.067 4.146 25663 3517 1 7 . 1 1 77 77 ASP HA H 77 4.790 4.790 4.669 0.121 25663 3518 1 7 . 1 1 77 77 ASP C C 77 176.390 176.390 176.038 0.352 25663 3519 1 7 . 1 1 77 77 ASP CA C 77 52.927 52.927 52.407 0.520 25663 3520 1 7 . 1 1 77 77 ASP CB C 77 44.224 44.224 39.973 4.251 25663 3521 1 7 . 1 1 77 77 ASP H H 77 7.925 7.925 7.718 0.207 25663 3522 1 7 . 1 1 78 78 TYR N N 78 126.424 126.424 123.670 2.754 25663 3523 1 7 . 1 1 78 78 TYR HA H 78 4.780 4.780 4.377 0.403 25663 3524 1 7 . 1 1 78 78 TYR C C 78 177.025 177.025 176.804 0.221 25663 3525 1 7 . 1 1 78 78 TYR CA C 78 54.257 54.257 59.512 -5.255 25663 3526 1 7 . 1 1 78 78 TYR CB C 78 36.513 36.513 38.985 -2.472 25663 3527 1 7 . 1 1 78 78 TYR H H 78 9.313 9.313 8.450 0.863 25663 3528 1 7 . 1 1 79 79 GLY N N 79 110.776 110.776 105.109 5.667 25663 3529 1 7 . 1 1 79 79 GLY C C 79 172.389 172.389 172.057 0.332 25663 3530 1 7 . 1 1 79 79 GLY CA C 79 44.317 44.317 44.683 -0.366 25663 3531 1 7 . 1 1 79 79 GLY H H 79 8.880 8.880 7.808 1.072 25663 3532 1 7 . 1 1 80 80 ILE N N 80 117.437 117.437 122.652 -5.215 25663 3533 1 7 . 1 1 80 80 ILE HA H 80 3.897 3.897 4.517 -0.620 25663 3534 1 7 . 1 1 80 80 ILE C C 80 177.495 177.495 175.802 1.693 25663 3535 1 7 . 1 1 80 80 ILE CA C 80 61.293 61.293 60.779 0.513 25663 3536 1 7 . 1 1 80 80 ILE CB C 80 36.412 36.412 38.610 -2.198 25663 3537 1 7 . 1 1 80 80 ILE H H 80 8.189 8.189 8.326 -0.137 25663 3538 1 7 . 1 1 81 81 ARG N N 81 128.585 128.585 127.254 1.331 25663 3539 1 7 . 1 1 81 81 ARG HA H 81 4.367 4.367 4.468 -0.101 25663 3540 1 7 . 1 1 81 81 ARG CA C 81 52.745 52.745 55.481 -2.736 25663 3541 1 7 . 1 1 81 81 ARG CB C 81 27.133 27.133 31.082 -3.950 25663 3542 1 7 . 1 1 81 81 ARG H H 81 8.367 8.367 8.532 -0.165 25663 3543 1 7 . 1 1 82 82 LEU HA H 82 4.145 4.145 4.308 -0.163 25663 3544 1 7 . 1 1 82 82 LEU C C 82 177.546 177.546 177.100 0.446 25663 3545 1 7 . 1 1 82 82 LEU CA C 82 56.857 56.857 55.357 1.500 25663 3546 1 7 . 1 1 82 82 LEU CB C 82 42.266 42.266 41.801 0.465 25663 3547 1 7 . 1 1 82 82 LEU H H 82 8.226 8.226 8.634 -0.408 25663 3548 1 7 . 1 1 83 83 ASN N N 83 115.779 115.779 117.640 -1.861 25663 3549 1 7 . 1 1 83 83 ASN HA H 83 4.913 4.913 4.736 0.177 25663 3550 1 7 . 1 1 83 83 ASN C C 83 175.764 175.764 176.855 -1.091 25663 3551 1 7 . 1 1 83 83 ASN CA C 83 51.627 51.627 52.616 -0.989 25663 3552 1 7 . 1 1 83 83 ASN CB C 83 37.505 37.505 36.988 0.517 25663 3553 1 7 . 1 1 83 83 ASN H H 83 8.628 8.628 8.668 -0.040 25663 3554 1 7 . 1 1 84 84 ARG N N 84 121.554 121.554 119.564 1.990 25663 3555 1 7 . 1 1 84 84 ARG HA H 84 4.637 4.637 4.273 0.364 25663 3556 1 7 . 1 1 84 84 ARG C C 84 177.197 177.197 177.441 -0.244 25663 3557 1 7 . 1 1 84 84 ARG CA C 84 56.695 56.695 59.405 -2.710 25663 3558 1 7 . 1 1 84 84 ARG CB C 84 29.361 29.361 29.639 -0.278 25663 3559 1 7 . 1 1 84 84 ARG H H 84 8.593 8.593 8.141 0.452 25663 3560 1 7 . 1 1 85 85 SER N N 85 116.623 116.623 113.374 3.249 25663 3561 1 7 . 1 1 85 85 SER HA H 85 4.628 4.628 4.341 0.287 25663 3562 1 7 . 1 1 85 85 SER C C 85 174.403 174.403 175.513 -1.110 25663 3563 1 7 . 1 1 85 85 SER CA C 85 58.827 58.827 60.066 -1.239 25663 3564 1 7 . 1 1 85 85 SER CB C 85 62.996 62.996 63.048 -0.052 25663 3565 1 7 . 1 1 85 85 SER H H 85 8.567 8.567 8.251 0.316 25663 3566 1 7 . 1 1 86 86 GLU N N 86 121.171 121.171 123.027 -1.856 25663 3567 1 7 . 1 1 86 86 GLU HA H 86 3.864 3.864 4.454 -0.590 25663 3568 1 7 . 1 1 86 86 GLU C C 86 174.422 174.422 175.671 -1.249 25663 3569 1 7 . 1 1 86 86 GLU CA C 86 57.520 57.520 56.243 1.277 25663 3570 1 7 . 1 1 86 86 GLU CB C 86 31.292 31.292 30.682 0.610 25663 3571 1 7 . 1 1 86 86 GLU H H 86 7.219 7.219 8.283 -1.064 25663 3572 1 7 . 1 1 87 87 ARG N N 87 118.124 118.124 119.074 -0.950 25663 3573 1 7 . 1 1 87 87 ARG HA H 87 4.687 4.687 4.628 0.059 25663 3574 1 7 . 1 1 87 87 ARG C C 87 173.408 173.408 174.969 -1.561 25663 3575 1 7 . 1 1 87 87 ARG CA C 87 54.387 54.387 55.590 -1.203 25663 3576 1 7 . 1 1 87 87 ARG CB C 87 31.544 31.544 32.543 -0.999 25663 3577 1 7 . 1 1 87 87 ARG H H 87 7.263 7.263 8.431 -1.168 25663 3578 1 7 . 1 1 88 88 TRP N N 88 121.383 121.383 121.343 0.040 25663 3579 1 7 . 1 1 88 88 TRP HA H 88 4.899 4.899 4.869 0.030 25663 3580 1 7 . 1 1 88 88 TRP CA C 88 54.508 54.508 57.232 -2.724 25663 3581 1 7 . 1 1 88 88 TRP CB C 88 33.610 33.610 31.862 1.748 25663 3582 1 7 . 1 1 88 88 TRP H H 88 8.811 8.811 8.765 0.046 25663 3583 1 7 . 1 1 89 89 ASP N N 89 119.285 119.285 119.462 -0.177 25663 3584 1 7 . 1 1 89 89 ASP HA H 89 5.602 5.602 4.880 0.722 25663 3585 1 7 . 1 1 89 89 ASP C C 89 173.648 173.648 175.332 -1.684 25663 3586 1 7 . 1 1 89 89 ASP CA C 89 54.558 54.558 52.686 1.872 25663 3587 1 7 . 1 1 89 89 ASP CB C 89 40.438 40.438 42.960 -2.522 25663 3588 1 7 . 1 1 89 89 ASP H H 89 8.552 8.552 8.462 0.090 25663 3589 1 7 . 1 1 90 90 ALA N N 90 121.014 121.014 118.518 2.496 25663 3590 1 7 . 1 1 90 90 ALA HA H 90 5.095 5.095 4.757 0.338 25663 3591 1 7 . 1 1 90 90 ALA C C 90 175.076 175.076 174.954 0.122 25663 3592 1 7 . 1 1 90 90 ALA CA C 90 52.089 52.089 51.885 0.204 25663 3593 1 7 . 1 1 90 90 ALA CB C 90 23.118 23.118 21.761 1.357 25663 3594 1 7 . 1 1 90 90 ALA H H 90 8.449 8.449 7.983 0.466 25663 3595 1 7 . 1 1 91 91 TYR N N 91 118.243 118.243 117.166 1.077 25663 3596 1 7 . 1 1 91 91 TYR HA H 91 5.072 5.072 5.028 0.044 25663 3597 1 7 . 1 1 91 91 TYR C C 91 174.671 174.671 174.757 -0.086 25663 3598 1 7 . 1 1 91 91 TYR CA C 91 58.787 58.787 57.233 1.554 25663 3599 1 7 . 1 1 91 91 TYR CB C 91 40.686 40.686 42.477 -1.790 25663 3600 1 7 . 1 1 91 91 TYR H H 91 8.421 8.421 8.279 0.142 25663 3601 1 7 . 1 1 92 92 CYS N N 92 119.931 119.931 120.932 -1.001 25663 3602 1 7 . 1 1 92 92 CYS HA H 92 5.263 5.263 5.060 0.203 25663 3603 1 7 . 1 1 92 92 CYS C C 92 172.698 172.698 172.793 -0.095 25663 3604 1 7 . 1 1 92 92 CYS CA C 92 50.601 50.601 58.196 -7.595 25663 3605 1 7 . 1 1 92 92 CYS CB C 92 37.818 37.818 30.650 7.168 25663 3606 1 7 . 1 1 92 92 CYS H H 92 8.459 8.459 8.909 -0.451 25663 3607 1 7 . 1 1 93 93 TYR N N 93 120.805 120.805 125.895 -5.090 25663 3608 1 7 . 1 1 93 93 TYR HA H 93 4.903 4.903 4.938 -0.035 25663 3609 1 7 . 1 1 93 93 TYR C C 93 173.902 173.902 172.762 1.140 25663 3610 1 7 . 1 1 93 93 TYR CA C 93 57.096 57.096 56.764 0.332 25663 3611 1 7 . 1 1 93 93 TYR CB C 93 41.665 41.665 42.952 -1.287 25663 3612 1 7 . 1 1 93 93 TYR H H 93 9.410 9.410 9.202 0.208 25663 3613 1 7 . 1 1 94 94 ASN N N 94 124.511 124.511 124.563 -0.052 25663 3614 1 7 . 1 1 94 94 ASN HA H 94 4.774 4.774 4.925 -0.151 25663 3615 1 7 . 1 1 94 94 ASN CA C 94 49.599 49.599 50.630 -1.031 25663 3616 1 7 . 1 1 94 94 ASN CB C 94 41.642 41.642 39.010 2.632 25663 3617 1 7 . 1 1 94 94 ASN H H 94 7.832 7.832 8.807 -0.975 25663 3618 1 7 . 1 1 95 95 PRO HA H 95 4.141 4.141 3.744 0.397 25663 3619 1 7 . 1 1 95 95 PRO C C 95 176.345 176.345 176.411 -0.066 25663 3620 1 7 . 1 1 95 95 PRO CA C 95 63.800 63.800 63.345 0.455 25663 3621 1 7 . 1 1 95 95 PRO CB C 95 32.046 32.046 31.598 0.449 25663 3622 1 7 . 1 1 96 96 HIS N N 96 116.009 116.009 122.355 -6.346 25663 3623 1 7 . 1 1 96 96 HIS HA H 96 4.623 4.623 3.954 0.669 25663 3624 1 7 . 1 1 96 96 HIS C C 96 173.999 173.999 174.915 -0.916 25663 3625 1 7 . 1 1 96 96 HIS CA C 96 55.046 55.046 56.373 -1.327 25663 3626 1 7 . 1 1 96 96 HIS CB C 96 28.821 28.821 28.979 -0.158 25663 3627 1 7 . 1 1 96 96 HIS H H 96 8.354 8.354 8.494 -0.140 25663 3628 1 7 . 1 1 97 97 ALA N N 97 123.775 123.775 120.161 3.614 25663 3629 1 7 . 1 1 97 97 ALA HA H 97 4.269 4.269 3.794 0.475 25663 3630 1 7 . 1 1 97 97 ALA C C 97 176.350 176.350 175.296 1.054 25663 3631 1 7 . 1 1 97 97 ALA CA C 97 51.796 51.796 53.521 -1.725 25663 3632 1 7 . 1 1 97 97 ALA CB C 97 19.648 19.648 18.371 1.277 25663 3633 1 7 . 1 1 97 97 ALA H H 97 7.387 7.387 8.036 -0.649 25663 3634 1 8 . 1 1 2 2 VAL N N 2 122.742 122.742 121.964 0.778 25663 3635 1 8 . 1 1 2 2 VAL HA H 2 5.257 5.257 4.445 0.812 25663 3636 1 8 . 1 1 2 2 VAL C C 2 174.533 174.533 175.261 -0.728 25663 3637 1 8 . 1 1 2 2 VAL CA C 2 60.536 60.536 61.763 -1.227 25663 3638 1 8 . 1 1 2 2 VAL CB C 2 33.278 33.278 33.381 -0.103 25663 3639 1 8 . 1 1 2 2 VAL H H 2 8.486 8.486 7.900 0.586 25663 3640 1 8 . 1 1 3 3 TYR N N 3 120.172 120.172 122.510 -2.338 25663 3641 1 8 . 1 1 3 3 TYR HA H 3 4.964 4.964 5.253 -0.289 25663 3642 1 8 . 1 1 3 3 TYR C C 3 173.399 173.399 174.262 -0.863 25663 3643 1 8 . 1 1 3 3 TYR CA C 3 56.073 56.073 56.332 -0.259 25663 3644 1 8 . 1 1 3 3 TYR CB C 3 40.278 40.278 39.962 0.315 25663 3645 1 8 . 1 1 3 3 TYR H H 3 8.715 8.715 7.724 0.991 25663 3646 1 8 . 1 1 4 4 HIS N N 4 121.237 121.237 122.502 -1.265 25663 3647 1 8 . 1 1 4 4 HIS HA H 4 4.929 4.929 4.692 0.237 25663 3648 1 8 . 1 1 4 4 HIS C C 4 172.844 172.844 174.736 -1.892 25663 3649 1 8 . 1 1 4 4 HIS CA C 4 54.154 54.154 55.791 -1.637 25663 3650 1 8 . 1 1 4 4 HIS CB C 4 30.961 30.961 30.223 0.738 25663 3651 1 8 . 1 1 4 4 HIS H H 4 9.414 9.414 8.933 0.481 25663 3652 1 8 . 1 1 5 5 ARG N N 5 128.770 128.770 122.196 6.574 25663 3653 1 8 . 1 1 5 5 ARG HA H 5 4.619 4.619 4.657 -0.038 25663 3654 1 8 . 1 1 5 5 ARG C C 5 172.967 172.967 174.326 -1.359 25663 3655 1 8 . 1 1 5 5 ARG CA C 5 53.177 53.177 55.266 -2.089 25663 3656 1 8 . 1 1 5 5 ARG CB C 5 33.832 33.832 33.210 0.622 25663 3657 1 8 . 1 1 5 5 ARG H H 5 8.805 8.805 8.405 0.400 25663 3658 1 8 . 1 1 6 6 GLU N N 6 121.037 121.037 118.665 2.372 25663 3659 1 8 . 1 1 6 6 GLU HA H 6 4.490 4.490 4.472 0.018 25663 3660 1 8 . 1 1 6 6 GLU C C 6 176.264 176.264 174.589 1.675 25663 3661 1 8 . 1 1 6 6 GLU CA C 6 53.336 53.336 54.968 -1.632 25663 3662 1 8 . 1 1 6 6 GLU CB C 6 33.133 33.133 31.299 1.834 25663 3663 1 8 . 1 1 6 6 GLU H H 6 8.232 8.232 8.251 -0.019 25663 3664 1 8 . 1 1 7 7 ALA N N 7 123.438 123.438 122.365 1.073 25663 3665 1 8 . 1 1 7 7 ALA HA H 7 4.215 4.215 4.141 0.074 25663 3666 1 8 . 1 1 7 7 ALA C C 7 178.419 178.419 178.958 -0.539 25663 3667 1 8 . 1 1 7 7 ALA CA C 7 52.182 52.182 52.954 -0.772 25663 3668 1 8 . 1 1 7 7 ALA CB C 7 20.128 20.128 19.153 0.975 25663 3669 1 8 . 1 1 7 7 ALA H H 7 8.756 8.756 8.330 0.426 25663 3670 1 8 . 1 1 8 8 ARG N N 8 122.559 122.559 123.106 -0.547 25663 3671 1 8 . 1 1 8 8 ARG HA H 8 3.998 3.998 4.081 -0.083 25663 3672 1 8 . 1 1 8 8 ARG C C 8 177.448 177.448 176.565 0.883 25663 3673 1 8 . 1 1 8 8 ARG CA C 8 58.660 58.660 58.322 0.338 25663 3674 1 8 . 1 1 8 8 ARG CB C 8 29.406 29.406 30.324 -0.918 25663 3675 1 8 . 1 1 8 8 ARG H H 8 8.945 8.945 8.878 0.067 25663 3676 1 8 . 1 1 9 9 SER N N 9 107.309 107.309 113.866 -6.557 25663 3677 1 8 . 1 1 9 9 SER HA H 9 4.261 4.261 4.574 -0.313 25663 3678 1 8 . 1 1 9 9 SER C C 9 174.411 174.411 173.091 1.320 25663 3679 1 8 . 1 1 9 9 SER CA C 9 58.081 58.081 57.679 0.402 25663 3680 1 8 . 1 1 9 9 SER CB C 9 62.972 62.972 63.752 -0.780 25663 3681 1 8 . 1 1 9 9 SER H H 9 7.445 7.445 8.272 -0.827 25663 3682 1 8 . 1 1 10 10 GLY N N 10 109.574 109.574 109.674 -0.100 25663 3683 1 8 . 1 1 10 10 GLY C C 10 171.580 171.580 172.739 -1.159 25663 3684 1 8 . 1 1 10 10 GLY CA C 10 44.036 44.036 45.578 -1.542 25663 3685 1 8 . 1 1 10 10 GLY H H 10 7.379 7.379 7.265 0.114 25663 3686 1 8 . 1 1 11 11 LYS N N 11 121.683 121.683 118.283 3.400 25663 3687 1 8 . 1 1 11 11 LYS HA H 11 3.993 3.993 4.214 -0.221 25663 3688 1 8 . 1 1 11 11 LYS C C 11 175.995 175.995 175.616 0.379 25663 3689 1 8 . 1 1 11 11 LYS CA C 11 57.374 57.374 56.321 1.053 25663 3690 1 8 . 1 1 11 11 LYS CB C 11 34.009 34.009 33.535 0.474 25663 3691 1 8 . 1 1 11 11 LYS H H 11 8.040 8.040 7.902 0.138 25663 3692 1 8 . 1 1 12 12 TYR N N 12 122.956 122.956 119.243 3.713 25663 3693 1 8 . 1 1 12 12 TYR HA H 12 3.990 3.990 4.687 -0.697 25663 3694 1 8 . 1 1 12 12 TYR C C 12 173.905 173.905 175.495 -1.590 25663 3695 1 8 . 1 1 12 12 TYR CA C 12 54.397 54.397 57.833 -3.436 25663 3696 1 8 . 1 1 12 12 TYR CB C 12 32.105 32.105 38.234 -6.129 25663 3697 1 8 . 1 1 12 12 TYR H H 12 9.830 9.830 8.221 1.609 25663 3698 1 8 . 1 1 13 13 LYS N N 13 114.683 114.683 120.121 -5.438 25663 3699 1 8 . 1 1 13 13 LYS HA H 13 4.577 4.577 4.303 0.274 25663 3700 1 8 . 1 1 13 13 LYS C C 13 176.999 176.999 175.236 1.763 25663 3701 1 8 . 1 1 13 13 LYS CA C 13 55.014 55.014 55.706 -0.692 25663 3702 1 8 . 1 1 13 13 LYS CB C 13 35.021 35.021 32.000 3.021 25663 3703 1 8 . 1 1 13 13 LYS H H 13 8.445 8.445 7.641 0.804 25663 3704 1 8 . 1 1 14 14 LEU N N 14 123.176 123.176 120.906 2.270 25663 3705 1 8 . 1 1 14 14 LEU HA H 14 5.122 5.122 4.649 0.473 25663 3706 1 8 . 1 1 14 14 LEU C C 14 178.304 178.304 175.320 2.984 25663 3707 1 8 . 1 1 14 14 LEU CA C 14 54.800 54.800 53.805 0.995 25663 3708 1 8 . 1 1 14 14 LEU CB C 14 43.528 43.528 45.009 -1.481 25663 3709 1 8 . 1 1 14 14 LEU H H 14 9.479 9.479 7.598 1.881 25663 3710 1 8 . 1 1 15 15 THR N N 15 116.144 116.144 122.448 -6.304 25663 3711 1 8 . 1 1 15 15 THR HA H 15 5.485 5.485 4.766 0.719 25663 3712 1 8 . 1 1 15 15 THR C C 15 174.697 174.697 174.917 -0.220 25663 3713 1 8 . 1 1 15 15 THR CA C 15 61.722 61.722 62.049 -0.327 25663 3714 1 8 . 1 1 15 15 THR CB C 15 70.914 70.914 70.376 0.538 25663 3715 1 8 . 1 1 15 15 THR H H 15 8.792 8.792 8.503 0.289 25663 3716 1 8 . 1 1 16 16 TYR N N 16 120.594 120.594 125.179 -4.585 25663 3717 1 8 . 1 1 16 16 TYR HA H 16 2.375 2.375 4.266 -1.891 25663 3718 1 8 . 1 1 16 16 TYR C C 16 176.133 176.133 176.900 -0.767 25663 3719 1 8 . 1 1 16 16 TYR CA C 16 61.408 61.408 62.204 -0.796 25663 3720 1 8 . 1 1 16 16 TYR CB C 16 36.889 36.889 38.501 -1.612 25663 3721 1 8 . 1 1 16 16 TYR H H 16 7.402 7.402 9.299 -1.897 25663 3722 1 8 . 1 1 17 17 ALA N N 17 118.108 118.108 119.839 -1.731 25663 3723 1 8 . 1 1 17 17 ALA HA H 17 3.509 3.509 3.728 -0.219 25663 3724 1 8 . 1 1 17 17 ALA C C 17 181.575 181.575 179.706 1.869 25663 3725 1 8 . 1 1 17 17 ALA CA C 17 54.732 54.732 55.010 -0.278 25663 3726 1 8 . 1 1 17 17 ALA CB C 17 18.124 18.124 17.954 0.170 25663 3727 1 8 . 1 1 17 17 ALA H H 17 8.545 8.545 8.557 -0.012 25663 3728 1 8 . 1 1 18 18 GLU N N 18 117.696 117.696 118.476 -0.780 25663 3729 1 8 . 1 1 18 18 GLU HA H 18 3.879 3.879 4.000 -0.121 25663 3730 1 8 . 1 1 18 18 GLU C C 18 178.624 178.624 178.792 -0.168 25663 3731 1 8 . 1 1 18 18 GLU CA C 18 58.432 58.432 58.964 -0.532 25663 3732 1 8 . 1 1 18 18 GLU CB C 18 30.814 30.814 29.218 1.596 25663 3733 1 8 . 1 1 18 18 GLU H H 18 7.327 7.327 7.513 -0.186 25663 3734 1 8 . 1 1 19 19 ALA N N 19 124.629 124.629 121.704 2.925 25663 3735 1 8 . 1 1 19 19 ALA HA H 19 3.871 3.871 3.996 -0.125 25663 3736 1 8 . 1 1 19 19 ALA C C 19 177.371 177.371 179.796 -2.425 25663 3737 1 8 . 1 1 19 19 ALA CA C 19 54.955 54.955 55.019 -0.064 25663 3738 1 8 . 1 1 19 19 ALA CB C 19 19.893 19.893 18.221 1.671 25663 3739 1 8 . 1 1 19 19 ALA H H 19 8.744 8.744 7.699 1.045 25663 3740 1 8 . 1 1 20 20 LYS N N 20 117.842 117.842 116.634 1.208 25663 3741 1 8 . 1 1 20 20 LYS HA H 20 3.435 3.435 3.921 -0.486 25663 3742 1 8 . 1 1 20 20 LYS C C 20 178.017 178.017 178.026 -0.009 25663 3743 1 8 . 1 1 20 20 LYS CA C 20 60.086 60.086 59.043 1.043 25663 3744 1 8 . 1 1 20 20 LYS CB C 20 33.186 33.186 32.216 0.970 25663 3745 1 8 . 1 1 20 20 LYS H H 20 8.188 8.188 7.447 0.741 25663 3746 1 8 . 1 1 21 21 ALA N N 21 117.564 117.564 122.078 -4.514 25663 3747 1 8 . 1 1 21 21 ALA HA H 21 4.040 4.040 4.069 -0.029 25663 3748 1 8 . 1 1 21 21 ALA C C 21 180.598 180.598 179.456 1.142 25663 3749 1 8 . 1 1 21 21 ALA CA C 21 54.991 54.991 54.720 0.271 25663 3750 1 8 . 1 1 21 21 ALA CB C 21 18.071 18.071 18.391 -0.320 25663 3751 1 8 . 1 1 21 21 ALA H H 21 7.382 7.382 7.525 -0.143 25663 3752 1 8 . 1 1 22 22 VAL N N 22 120.351 120.351 116.037 4.314 25663 3753 1 8 . 1 1 22 22 VAL HA H 22 3.883 3.883 3.768 0.115 25663 3754 1 8 . 1 1 22 22 VAL C C 22 177.921 177.921 176.583 1.338 25663 3755 1 8 . 1 1 22 22 VAL CA C 22 66.242 66.242 66.174 0.067 25663 3756 1 8 . 1 1 22 22 VAL CB C 22 31.136 31.136 32.198 -1.062 25663 3757 1 8 . 1 1 22 22 VAL H H 22 8.203 8.203 7.402 0.801 25663 3758 1 8 . 1 1 23 23 CYS N N 23 116.368 116.368 115.743 0.625 25663 3759 1 8 . 1 1 23 23 CYS HA H 23 4.352 4.352 4.649 -0.297 25663 3760 1 8 . 1 1 23 23 CYS C C 23 178.687 178.687 175.456 3.231 25663 3761 1 8 . 1 1 23 23 CYS CA C 23 55.224 55.224 59.282 -4.058 25663 3762 1 8 . 1 1 23 23 CYS CB C 23 33.542 33.542 28.855 4.687 25663 3763 1 8 . 1 1 23 23 CYS H H 23 7.788 7.788 7.681 0.107 25663 3764 1 8 . 1 1 24 24 GLU N N 24 120.341 120.341 121.361 -1.020 25663 3765 1 8 . 1 1 24 24 GLU HA H 24 4.259 4.259 4.104 0.155 25663 3766 1 8 . 1 1 24 24 GLU C C 24 180.516 180.516 177.628 2.888 25663 3767 1 8 . 1 1 24 24 GLU CA C 24 58.412 58.412 59.058 -0.646 25663 3768 1 8 . 1 1 24 24 GLU CB C 24 28.855 28.855 28.998 -0.143 25663 3769 1 8 . 1 1 24 24 GLU H H 24 8.196 8.196 8.803 -0.607 25663 3770 1 8 . 1 1 25 25 PHE N N 25 124.937 124.937 121.436 3.501 25663 3771 1 8 . 1 1 25 25 PHE HA H 25 4.267 4.267 4.290 -0.023 25663 3772 1 8 . 1 1 25 25 PHE C C 25 177.593 177.593 176.408 1.185 25663 3773 1 8 . 1 1 25 25 PHE CA C 25 60.845 60.845 60.755 0.090 25663 3774 1 8 . 1 1 25 25 PHE CB C 25 39.035 39.035 39.571 -0.536 25663 3775 1 8 . 1 1 25 25 PHE H H 25 8.946 8.946 8.578 0.368 25663 3776 1 8 . 1 1 26 26 GLU N N 26 114.486 114.486 118.297 -3.811 25663 3777 1 8 . 1 1 26 26 GLU HA H 26 4.090 4.090 4.286 -0.196 25663 3778 1 8 . 1 1 26 26 GLU C C 26 175.712 175.712 177.276 -1.564 25663 3779 1 8 . 1 1 26 26 GLU CA C 26 56.249 56.249 56.025 0.224 25663 3780 1 8 . 1 1 26 26 GLU CB C 26 29.418 29.418 29.161 0.257 25663 3781 1 8 . 1 1 26 26 GLU H H 26 7.359 7.359 8.416 -1.057 25663 3782 1 8 . 1 1 27 27 GLY N N 27 106.503 106.503 107.875 -1.372 25663 3783 1 8 . 1 1 27 27 GLY C C 27 174.107 174.107 174.627 -0.520 25663 3784 1 8 . 1 1 27 27 GLY CA C 27 45.426 45.426 45.037 0.389 25663 3785 1 8 . 1 1 27 27 GLY H H 27 7.695 7.695 7.900 -0.205 25663 3786 1 8 . 1 1 28 28 GLY N N 28 109.515 109.515 108.714 0.801 25663 3787 1 8 . 1 1 28 28 GLY C C 28 172.079 172.079 173.092 -1.013 25663 3788 1 8 . 1 1 28 28 GLY CA C 28 43.788 43.788 44.126 -0.338 25663 3789 1 8 . 1 1 28 28 GLY H H 28 7.745 7.745 7.993 -0.248 25663 3790 1 8 . 1 1 29 29 HIS N N 29 116.220 116.220 117.425 -1.205 25663 3791 1 8 . 1 1 29 29 HIS HA H 29 4.865 4.865 4.811 0.054 25663 3792 1 8 . 1 1 29 29 HIS C C 29 174.118 174.118 173.663 0.455 25663 3793 1 8 . 1 1 29 29 HIS CA C 29 54.169 54.169 56.128 -1.959 25663 3794 1 8 . 1 1 29 29 HIS CB C 29 33.436 33.436 32.748 0.688 25663 3795 1 8 . 1 1 29 29 HIS H H 29 8.412 8.412 8.079 0.333 25663 3796 1 8 . 1 1 30 30 LEU N N 30 124.046 124.046 126.645 -2.599 25663 3797 1 8 . 1 1 30 30 LEU HA H 30 4.912 4.912 4.376 0.536 25663 3798 1 8 . 1 1 30 30 LEU C C 30 178.158 178.158 176.733 1.425 25663 3799 1 8 . 1 1 30 30 LEU CA C 30 56.817 56.817 55.371 1.446 25663 3800 1 8 . 1 1 30 30 LEU CB C 30 42.534 42.534 42.512 0.022 25663 3801 1 8 . 1 1 30 30 LEU H H 30 9.399 9.399 8.111 1.288 25663 3802 1 8 . 1 1 31 31 ALA N N 31 126.730 126.730 125.638 1.092 25663 3803 1 8 . 1 1 31 31 ALA HA H 31 4.403 4.403 4.334 0.069 25663 3804 1 8 . 1 1 31 31 ALA C C 31 176.879 176.879 177.377 -0.498 25663 3805 1 8 . 1 1 31 31 ALA CA C 31 52.006 52.006 52.343 -0.337 25663 3806 1 8 . 1 1 31 31 ALA CB C 31 19.593 19.593 19.441 0.152 25663 3807 1 8 . 1 1 31 31 ALA H H 31 9.331 9.331 8.156 1.175 25663 3808 1 8 . 1 1 32 32 THR N N 32 111.206 111.206 115.572 -4.366 25663 3809 1 8 . 1 1 32 32 THR HA H 32 4.528 4.528 4.550 -0.022 25663 3810 1 8 . 1 1 32 32 THR C C 32 174.899 174.899 175.269 -0.370 25663 3811 1 8 . 1 1 32 32 THR CA C 32 59.818 59.818 58.972 0.846 25663 3812 1 8 . 1 1 32 32 THR CB C 32 70.949 70.949 71.945 -0.996 25663 3813 1 8 . 1 1 32 32 THR H H 32 8.511 8.511 7.726 0.785 25663 3814 1 8 . 1 1 33 33 TYR N N 33 121.971 121.971 121.081 0.890 25663 3815 1 8 . 1 1 33 33 TYR HA H 33 3.745 3.745 4.068 -0.323 25663 3816 1 8 . 1 1 33 33 TYR C C 33 176.176 176.176 177.303 -1.127 25663 3817 1 8 . 1 1 33 33 TYR CA C 33 62.320 62.320 61.217 1.103 25663 3818 1 8 . 1 1 33 33 TYR CB C 33 38.737 38.737 37.547 1.190 25663 3819 1 8 . 1 1 33 33 TYR H H 33 8.623 8.623 8.935 -0.312 25663 3820 1 8 . 1 1 34 34 LYS N N 34 116.509 116.509 119.278 -2.769 25663 3821 1 8 . 1 1 34 34 LYS HA H 34 3.905 3.905 3.676 0.229 25663 3822 1 8 . 1 1 34 34 LYS C C 34 180.207 180.207 179.316 0.891 25663 3823 1 8 . 1 1 34 34 LYS CA C 34 59.854 59.854 58.615 1.238 25663 3824 1 8 . 1 1 34 34 LYS CB C 34 32.743 32.743 31.321 1.422 25663 3825 1 8 . 1 1 34 34 LYS H H 34 8.284 8.284 6.525 1.759 25663 3826 1 8 . 1 1 35 35 GLN N N 35 119.270 119.270 119.600 -0.330 25663 3827 1 8 . 1 1 35 35 GLN HA H 35 3.822 3.822 3.976 -0.154 25663 3828 1 8 . 1 1 35 35 GLN C C 35 179.050 179.050 178.486 0.564 25663 3829 1 8 . 1 1 35 35 GLN CA C 35 58.402 58.402 57.896 0.506 25663 3830 1 8 . 1 1 35 35 GLN CB C 35 26.715 26.715 28.227 -1.512 25663 3831 1 8 . 1 1 35 35 GLN H H 35 7.747 7.747 7.713 0.034 25663 3832 1 8 . 1 1 36 36 LEU N N 36 122.992 122.992 119.688 3.304 25663 3833 1 8 . 1 1 36 36 LEU HA H 36 3.891 3.891 3.838 0.053 25663 3834 1 8 . 1 1 36 36 LEU C C 36 177.812 177.812 177.679 0.133 25663 3835 1 8 . 1 1 36 36 LEU CA C 36 58.166 58.166 57.407 0.759 25663 3836 1 8 . 1 1 36 36 LEU CB C 36 41.981 41.981 41.745 0.236 25663 3837 1 8 . 1 1 36 36 LEU H H 36 8.473 8.473 8.570 -0.097 25663 3838 1 8 . 1 1 37 37 GLU N N 37 120.512 120.512 119.674 0.838 25663 3839 1 8 . 1 1 37 37 GLU HA H 37 4.244 4.244 3.872 0.372 25663 3840 1 8 . 1 1 37 37 GLU C C 37 177.984 177.984 178.159 -0.175 25663 3841 1 8 . 1 1 37 37 GLU CA C 37 58.018 58.018 59.442 -1.424 25663 3842 1 8 . 1 1 37 37 GLU CB C 37 28.236 28.236 28.733 -0.497 25663 3843 1 8 . 1 1 37 37 GLU H H 37 8.526 8.526 7.692 0.834 25663 3844 1 8 . 1 1 38 38 ALA N N 38 121.256 121.256 122.337 -1.081 25663 3845 1 8 . 1 1 38 38 ALA HA H 38 3.995 3.995 4.021 -0.026 25663 3846 1 8 . 1 1 38 38 ALA C C 38 180.513 180.513 179.028 1.485 25663 3847 1 8 . 1 1 38 38 ALA CA C 38 54.968 54.968 54.554 0.414 25663 3848 1 8 . 1 1 38 38 ALA CB C 38 17.792 17.792 18.002 -0.210 25663 3849 1 8 . 1 1 38 38 ALA H H 38 7.806 7.806 7.674 0.132 25663 3850 1 8 . 1 1 39 39 ALA N N 39 120.185 120.185 120.981 -0.796 25663 3851 1 8 . 1 1 39 39 ALA HA H 39 4.164 4.164 4.087 0.077 25663 3852 1 8 . 1 1 39 39 ALA C C 39 180.063 180.063 179.788 0.275 25663 3853 1 8 . 1 1 39 39 ALA CA C 39 54.064 54.064 53.836 0.229 25663 3854 1 8 . 1 1 39 39 ALA CB C 39 17.883 17.883 18.816 -0.933 25663 3855 1 8 . 1 1 39 39 ALA H H 39 7.495 7.495 7.580 -0.085 25663 3856 1 8 . 1 1 40 40 ARG N N 40 124.604 124.604 120.598 4.006 25663 3857 1 8 . 1 1 40 40 ARG HA H 40 4.658 4.658 4.222 0.436 25663 3858 1 8 . 1 1 40 40 ARG C C 40 180.610 180.610 178.578 2.032 25663 3859 1 8 . 1 1 40 40 ARG CA C 40 58.559 58.559 58.251 0.308 25663 3860 1 8 . 1 1 40 40 ARG CB C 40 30.707 30.707 29.760 0.947 25663 3861 1 8 . 1 1 40 40 ARG H H 40 8.789 8.789 8.097 0.692 25663 3862 1 8 . 1 1 41 41 LYS N N 41 117.810 117.810 119.352 -1.542 25663 3863 1 8 . 1 1 41 41 LYS HA H 41 3.925 3.925 4.143 -0.218 25663 3864 1 8 . 1 1 41 41 LYS C C 41 178.134 178.134 177.484 0.650 25663 3865 1 8 . 1 1 41 41 LYS CA C 41 59.409 59.409 58.587 0.822 25663 3866 1 8 . 1 1 41 41 LYS CB C 41 32.786 32.786 32.202 0.584 25663 3867 1 8 . 1 1 41 41 LYS H H 41 8.267 8.267 7.973 0.293 25663 3868 1 8 . 1 1 42 42 ILE N N 42 110.889 110.889 117.815 -6.926 25663 3869 1 8 . 1 1 42 42 ILE HA H 42 4.581 4.581 4.353 0.228 25663 3870 1 8 . 1 1 42 42 ILE C C 42 176.527 176.527 176.965 -0.438 25663 3871 1 8 . 1 1 42 42 ILE CA C 42 60.751 60.751 59.465 1.286 25663 3872 1 8 . 1 1 42 42 ILE CB C 42 37.739 37.739 37.076 0.663 25663 3873 1 8 . 1 1 42 42 ILE H H 42 7.263 7.263 7.764 -0.501 25663 3874 1 8 . 1 1 43 43 GLY N N 43 108.366 108.366 108.753 -0.387 25663 3875 1 8 . 1 1 43 43 GLY C C 43 173.880 173.880 174.469 -0.589 25663 3876 1 8 . 1 1 43 43 GLY CA C 43 45.585 45.585 45.337 0.248 25663 3877 1 8 . 1 1 43 43 GLY H H 43 7.816 7.816 7.917 -0.101 25663 3878 1 8 . 1 1 44 44 PHE N N 44 125.650 125.650 120.844 4.806 25663 3879 1 8 . 1 1 44 44 PHE HA H 44 4.510 4.510 4.430 0.080 25663 3880 1 8 . 1 1 44 44 PHE C C 44 171.183 171.183 174.924 -3.741 25663 3881 1 8 . 1 1 44 44 PHE CA C 44 59.012 59.012 59.011 0.001 25663 3882 1 8 . 1 1 44 44 PHE CB C 44 39.986 39.986 40.151 -0.165 25663 3883 1 8 . 1 1 44 44 PHE H H 44 8.003 8.003 7.515 0.488 25663 3884 1 8 . 1 1 45 45 HIS N N 45 126.999 126.999 127.873 -0.874 25663 3885 1 8 . 1 1 45 45 HIS HA H 45 4.728 4.728 4.765 -0.037 25663 3886 1 8 . 1 1 45 45 HIS C C 45 175.134 175.134 173.301 1.833 25663 3887 1 8 . 1 1 45 45 HIS CA C 45 55.539 55.539 54.737 0.802 25663 3888 1 8 . 1 1 45 45 HIS CB C 45 34.586 34.586 31.372 3.214 25663 3889 1 8 . 1 1 45 45 HIS H H 45 7.326 7.326 8.082 -0.755 25663 3890 1 8 . 1 1 46 46 VAL N N 46 126.425 126.425 123.278 3.147 25663 3891 1 8 . 1 1 46 46 VAL HA H 46 3.665 3.665 4.060 -0.395 25663 3892 1 8 . 1 1 46 46 VAL CA C 46 61.647 61.647 60.681 0.966 25663 3893 1 8 . 1 1 46 46 VAL CB C 46 35.141 35.141 33.337 1.804 25663 3894 1 8 . 1 1 46 46 VAL H H 46 8.147 8.147 8.248 -0.101 25663 3895 1 8 . 1 1 47 47 CYS N N 47 127.308 127.308 127.513 -0.205 25663 3896 1 8 . 1 1 47 47 CYS HA H 47 4.470 4.470 4.768 -0.298 25663 3897 1 8 . 1 1 47 47 CYS C C 47 172.533 172.533 174.045 -1.512 25663 3898 1 8 . 1 1 47 47 CYS CA C 47 55.259 55.259 58.863 -3.604 25663 3899 1 8 . 1 1 47 47 CYS CB C 47 44.867 44.867 24.957 19.910 25663 3900 1 8 . 1 1 47 47 CYS H H 47 8.675 8.675 8.614 0.061 25663 3901 1 8 . 1 1 48 48 ALA N N 48 120.376 120.376 131.377 -11.001 25663 3902 1 8 . 1 1 48 48 ALA HA H 48 4.278 4.278 4.462 -0.184 25663 3903 1 8 . 1 1 48 48 ALA C C 48 173.936 173.936 175.066 -1.130 25663 3904 1 8 . 1 1 48 48 ALA CA C 48 51.286 51.286 51.783 -0.497 25663 3905 1 8 . 1 1 48 48 ALA CB C 48 19.831 19.831 20.715 -0.884 25663 3906 1 8 . 1 1 48 48 ALA H H 48 6.500 6.500 7.576 -1.076 25663 3907 1 8 . 1 1 49 49 ALA N N 49 130.715 130.715 124.235 6.480 25663 3908 1 8 . 1 1 49 49 ALA HA H 49 3.834 3.834 3.780 0.054 25663 3909 1 8 . 1 1 49 49 ALA C C 49 176.061 176.061 176.094 -0.033 25663 3910 1 8 . 1 1 49 49 ALA CA C 49 53.466 53.466 51.790 1.676 25663 3911 1 8 . 1 1 49 49 ALA CB C 49 18.332 18.332 19.706 -1.374 25663 3912 1 8 . 1 1 49 49 ALA H H 49 8.424 8.424 8.105 0.319 25663 3913 1 8 . 1 1 50 50 GLY N N 50 107.085 107.085 110.231 -3.146 25663 3914 1 8 . 1 1 50 50 GLY C C 50 170.793 170.793 172.529 -1.736 25663 3915 1 8 . 1 1 50 50 GLY CA C 50 43.792 43.792 43.979 -0.187 25663 3916 1 8 . 1 1 50 50 GLY H H 50 8.746 8.746 7.933 0.813 25663 3917 1 8 . 1 1 51 51 TRP N N 51 121.565 121.565 122.451 -0.886 25663 3918 1 8 . 1 1 51 51 TRP HA H 51 4.960 4.960 4.560 0.400 25663 3919 1 8 . 1 1 51 51 TRP C C 51 174.095 174.095 175.964 -1.869 25663 3920 1 8 . 1 1 51 51 TRP CA C 51 58.852 58.852 57.312 1.540 25663 3921 1 8 . 1 1 51 51 TRP CB C 51 32.034 32.034 29.090 2.944 25663 3922 1 8 . 1 1 51 51 TRP H H 51 8.596 8.596 7.692 0.904 25663 3923 1 8 . 1 1 52 52 MET N N 52 118.713 118.713 122.792 -4.079 25663 3924 1 8 . 1 1 52 52 MET HA H 52 4.945 4.945 4.900 0.045 25663 3925 1 8 . 1 1 52 52 MET C C 52 174.575 174.575 176.367 -1.792 25663 3926 1 8 . 1 1 52 52 MET CA C 52 54.277 54.277 54.233 0.044 25663 3927 1 8 . 1 1 52 52 MET CB C 52 39.146 39.146 34.852 4.293 25663 3928 1 8 . 1 1 52 52 MET H H 52 9.116 9.116 8.466 0.650 25663 3929 1 8 . 1 1 53 53 ALA N N 53 120.116 120.116 120.177 -0.061 25663 3930 1 8 . 1 1 53 53 ALA HA H 53 4.186 4.186 4.161 0.025 25663 3931 1 8 . 1 1 53 53 ALA C C 53 178.250 178.250 178.372 -0.122 25663 3932 1 8 . 1 1 53 53 ALA CA C 53 53.791 53.791 53.313 0.478 25663 3933 1 8 . 1 1 53 53 ALA CB C 53 19.462 19.462 19.371 0.091 25663 3934 1 8 . 1 1 53 53 ALA H H 53 8.517 8.517 8.612 -0.095 25663 3935 1 8 . 1 1 54 54 LYS N N 54 112.641 112.641 120.158 -7.517 25663 3936 1 8 . 1 1 54 54 LYS HA H 54 3.857 3.857 3.864 -0.007 25663 3937 1 8 . 1 1 54 54 LYS C C 54 175.913 175.913 176.296 -0.383 25663 3938 1 8 . 1 1 54 54 LYS CA C 54 57.608 57.608 56.848 0.760 25663 3939 1 8 . 1 1 54 54 LYS CB C 54 29.796 29.796 30.240 -0.444 25663 3940 1 8 . 1 1 54 54 LYS H H 54 8.866 8.866 9.273 -0.407 25663 3941 1 8 . 1 1 55 55 GLY N N 55 104.227 104.227 103.087 1.140 25663 3942 1 8 . 1 1 55 55 GLY C C 55 173.820 173.820 174.813 -0.993 25663 3943 1 8 . 1 1 55 55 GLY CA C 55 45.933 45.933 45.474 0.459 25663 3944 1 8 . 1 1 55 55 GLY H H 55 8.239 8.239 8.109 0.130 25663 3945 1 8 . 1 1 56 56 ARG N N 56 122.045 122.045 119.905 2.140 25663 3946 1 8 . 1 1 56 56 ARG HA H 56 4.771 4.771 4.297 0.474 25663 3947 1 8 . 1 1 56 56 ARG C C 56 173.828 173.828 174.989 -1.161 25663 3948 1 8 . 1 1 56 56 ARG CA C 56 55.010 55.010 56.492 -1.482 25663 3949 1 8 . 1 1 56 56 ARG CB C 56 31.939 31.939 31.176 0.763 25663 3950 1 8 . 1 1 56 56 ARG H H 56 6.825 6.825 8.109 -1.284 25663 3951 1 8 . 1 1 57 57 VAL N N 57 122.581 122.581 124.069 -1.488 25663 3952 1 8 . 1 1 57 57 VAL HA H 57 4.632 4.632 4.825 -0.193 25663 3953 1 8 . 1 1 57 57 VAL C C 57 173.775 173.775 174.920 -1.145 25663 3954 1 8 . 1 1 57 57 VAL CA C 57 59.946 59.946 60.622 -0.676 25663 3955 1 8 . 1 1 57 57 VAL CB C 57 35.191 35.191 34.009 1.182 25663 3956 1 8 . 1 1 57 57 VAL H H 57 7.084 7.084 8.369 -1.285 25663 3957 1 8 . 1 1 58 58 GLY N N 58 112.994 112.994 116.329 -3.335 25663 3958 1 8 . 1 1 58 58 GLY C C 58 171.431 171.431 171.769 -0.338 25663 3959 1 8 . 1 1 58 58 GLY CA C 58 46.285 46.285 45.785 0.500 25663 3960 1 8 . 1 1 58 58 GLY H H 58 8.112 8.112 7.854 0.258 25663 3961 1 8 . 1 1 59 59 TYR N N 59 111.540 111.540 117.205 -5.665 25663 3962 1 8 . 1 1 59 59 TYR HA H 59 4.337 4.337 4.824 -0.487 25663 3963 1 8 . 1 1 59 59 TYR CA C 59 55.972 55.972 54.894 1.078 25663 3964 1 8 . 1 1 59 59 TYR CB C 59 34.363 34.363 39.085 -4.722 25663 3965 1 8 . 1 1 59 59 TYR H H 59 7.796 7.796 8.090 -0.294 25663 3966 1 8 . 1 1 60 60 PRO HA H 60 4.497 4.497 4.515 -0.018 25663 3967 1 8 . 1 1 60 60 PRO CA C 60 62.231 62.231 62.746 -0.515 25663 3968 1 8 . 1 1 60 60 PRO CB C 60 33.314 33.314 32.610 0.704 25663 3969 1 8 . 1 1 61 61 ILE HA H 61 4.444 4.444 4.622 -0.178 25663 3970 1 8 . 1 1 61 61 ILE CA C 61 56.601 56.601 60.149 -3.548 25663 3971 1 8 . 1 1 61 61 ILE CB C 61 38.417 38.417 39.212 -0.795 25663 3972 1 8 . 1 1 62 62 VAL HA H 62 3.935 3.935 3.809 0.126 25663 3973 1 8 . 1 1 62 62 VAL CA C 62 64.377 64.377 63.847 0.530 25663 3974 1 8 . 1 1 62 62 VAL CB C 62 34.087 34.087 32.044 2.043 25663 3975 1 8 . 1 1 62 62 VAL H H 62 11.229 11.229 8.356 2.873 25663 3976 1 8 . 1 1 63 63 LYS N N 63 122.578 122.578 119.576 3.002 25663 3977 1 8 . 1 1 63 63 LYS HA H 63 4.753 4.753 4.570 0.183 25663 3978 1 8 . 1 1 63 63 LYS CA C 63 52.473 52.473 52.759 -0.286 25663 3979 1 8 . 1 1 63 63 LYS CB C 63 32.983 32.983 33.524 -0.541 25663 3980 1 8 . 1 1 63 63 LYS H H 63 7.501 7.501 7.299 0.202 25663 3981 1 8 . 1 1 64 64 PRO HA H 64 4.362 4.362 4.356 0.006 25663 3982 1 8 . 1 1 64 64 PRO CA C 64 63.124 63.124 63.285 -0.161 25663 3983 1 8 . 1 1 64 64 PRO CB C 64 32.121 32.121 31.957 0.164 25663 3984 1 8 . 1 1 65 65 GLY CA C 65 45.512 45.512 42.895 2.616 25663 3985 1 8 . 1 1 65 65 GLY H H 65 8.377 8.377 8.268 0.109 25663 3986 1 8 . 1 1 66 66 PRO HA H 66 4.010 4.010 4.420 -0.410 25663 3987 1 8 . 1 1 66 66 PRO C C 66 177.072 177.072 176.561 0.511 25663 3988 1 8 . 1 1 66 66 PRO CA C 66 64.765 64.765 63.764 1.001 25663 3989 1 8 . 1 1 66 66 PRO CB C 66 32.121 32.121 32.361 -0.240 25663 3990 1 8 . 1 1 67 67 ASN N N 67 114.419 114.419 118.079 -3.660 25663 3991 1 8 . 1 1 67 67 ASN HA H 67 4.995 4.995 4.842 0.153 25663 3992 1 8 . 1 1 67 67 ASN C C 67 173.872 173.872 174.792 -0.920 25663 3993 1 8 . 1 1 67 67 ASN CA C 67 52.349 52.349 52.603 -0.254 25663 3994 1 8 . 1 1 67 67 ASN CB C 67 38.955 38.955 38.403 0.552 25663 3995 1 8 . 1 1 67 67 ASN H H 67 8.330 8.330 8.234 0.096 25663 3996 1 8 . 1 1 68 68 CYS N N 68 118.995 118.995 116.047 2.948 25663 3997 1 8 . 1 1 68 68 CYS HA H 68 5.034 5.034 4.805 0.229 25663 3998 1 8 . 1 1 68 68 CYS CA C 68 54.247 54.247 57.453 -3.206 25663 3999 1 8 . 1 1 68 68 CYS CB C 68 44.260 44.260 30.476 13.784 25663 4000 1 8 . 1 1 68 68 CYS H H 68 7.327 7.327 7.416 -0.089 25663 4001 1 8 . 1 1 70 70 PHE HA H 70 4.305 4.305 4.416 -0.111 25663 4002 1 8 . 1 1 70 70 PHE CA C 70 58.889 58.889 58.181 0.708 25663 4003 1 8 . 1 1 70 70 PHE CB C 70 36.557 36.557 40.177 -3.620 25663 4004 1 8 . 1 1 71 71 GLY N N 71 105.368 105.368 114.074 -8.706 25663 4005 1 8 . 1 1 71 71 GLY CA C 71 46.043 46.043 44.086 1.957 25663 4006 1 8 . 1 1 71 71 GLY H H 71 7.339 7.339 7.559 -0.220 25663 4007 1 8 . 1 1 72 72 LYS N N 72 120.404 120.404 120.742 -0.338 25663 4008 1 8 . 1 1 72 72 LYS HA H 72 4.264 4.264 3.994 0.270 25663 4009 1 8 . 1 1 72 72 LYS C C 72 175.440 175.440 174.803 0.637 25663 4010 1 8 . 1 1 72 72 LYS CA C 72 56.413 56.413 57.204 -0.791 25663 4011 1 8 . 1 1 72 72 LYS CB C 72 33.686 33.686 31.989 1.697 25663 4012 1 8 . 1 1 72 72 LYS H H 72 6.946 6.946 8.432 -1.486 25663 4013 1 8 . 1 1 73 73 THR N N 73 110.334 110.334 112.848 -2.514 25663 4014 1 8 . 1 1 73 73 THR HA H 73 4.233 4.233 4.386 -0.153 25663 4015 1 8 . 1 1 73 73 THR C C 73 173.774 173.774 174.767 -0.993 25663 4016 1 8 . 1 1 73 73 THR CA C 73 60.879 60.879 60.470 0.409 25663 4017 1 8 . 1 1 73 73 THR CB C 73 70.841 70.841 71.627 -0.786 25663 4018 1 8 . 1 1 73 73 THR H H 73 7.911 7.911 7.737 0.174 25663 4019 1 8 . 1 1 74 74 GLY N N 74 109.589 109.589 110.767 -1.178 25663 4020 1 8 . 1 1 74 74 GLY C C 74 172.715 172.715 174.328 -1.613 25663 4021 1 8 . 1 1 74 74 GLY CA C 74 43.404 43.404 45.212 -1.808 25663 4022 1 8 . 1 1 74 74 GLY H H 74 7.904 7.904 8.531 -0.627 25663 4023 1 8 . 1 1 75 75 ILE N N 75 120.787 120.787 117.208 3.579 25663 4024 1 8 . 1 1 75 75 ILE HA H 75 4.221 4.221 3.794 0.427 25663 4025 1 8 . 1 1 75 75 ILE C C 75 176.249 176.249 174.409 1.840 25663 4026 1 8 . 1 1 75 75 ILE CA C 75 59.422 59.422 61.653 -2.231 25663 4027 1 8 . 1 1 75 75 ILE CB C 75 36.008 36.008 38.344 -2.336 25663 4028 1 8 . 1 1 75 75 ILE H H 75 8.265 8.265 7.628 0.637 25663 4029 1 8 . 1 1 76 76 ILE N N 76 134.542 134.542 124.793 9.749 25663 4030 1 8 . 1 1 76 76 ILE HA H 76 3.587 3.587 4.390 -0.803 25663 4031 1 8 . 1 1 76 76 ILE C C 76 173.769 173.769 175.117 -1.348 25663 4032 1 8 . 1 1 76 76 ILE CA C 76 59.599 59.599 59.398 0.201 25663 4033 1 8 . 1 1 76 76 ILE CB C 76 33.139 33.139 38.499 -5.360 25663 4034 1 8 . 1 1 76 76 ILE H H 76 8.660 8.660 8.275 0.385 25663 4035 1 8 . 1 1 77 77 ASP N N 77 126.213 126.213 125.890 0.323 25663 4036 1 8 . 1 1 77 77 ASP HA H 77 4.790 4.790 4.552 0.238 25663 4037 1 8 . 1 1 77 77 ASP C C 77 176.390 176.390 173.904 2.486 25663 4038 1 8 . 1 1 77 77 ASP CA C 77 52.927 52.927 52.831 0.096 25663 4039 1 8 . 1 1 77 77 ASP CB C 77 44.224 44.224 42.345 1.879 25663 4040 1 8 . 1 1 77 77 ASP H H 77 7.925 7.925 8.518 -0.593 25663 4041 1 8 . 1 1 78 78 TYR N N 78 126.424 126.424 121.225 5.199 25663 4042 1 8 . 1 1 78 78 TYR HA H 78 4.780 4.780 4.606 0.174 25663 4043 1 8 . 1 1 78 78 TYR C C 78 177.025 177.025 175.257 1.768 25663 4044 1 8 . 1 1 78 78 TYR CA C 78 54.257 54.257 57.503 -3.246 25663 4045 1 8 . 1 1 78 78 TYR CB C 78 36.513 36.513 41.742 -5.229 25663 4046 1 8 . 1 1 78 78 TYR H H 78 9.313 9.313 7.786 1.527 25663 4047 1 8 . 1 1 79 79 GLY N N 79 110.776 110.776 109.716 1.060 25663 4048 1 8 . 1 1 79 79 GLY C C 79 172.389 172.389 173.108 -0.719 25663 4049 1 8 . 1 1 79 79 GLY CA C 79 44.317 44.317 45.370 -1.053 25663 4050 1 8 . 1 1 79 79 GLY H H 79 8.880 8.880 7.787 1.093 25663 4051 1 8 . 1 1 80 80 ILE N N 80 117.437 117.437 119.758 -2.321 25663 4052 1 8 . 1 1 80 80 ILE HA H 80 3.897 3.897 4.188 -0.291 25663 4053 1 8 . 1 1 80 80 ILE C C 80 177.495 177.495 174.059 3.436 25663 4054 1 8 . 1 1 80 80 ILE CA C 80 61.293 61.293 61.562 -0.269 25663 4055 1 8 . 1 1 80 80 ILE CB C 80 36.412 36.412 40.261 -3.849 25663 4056 1 8 . 1 1 80 80 ILE H H 80 8.189 8.189 7.835 0.354 25663 4057 1 8 . 1 1 81 81 ARG N N 81 128.585 128.585 126.481 2.104 25663 4058 1 8 . 1 1 81 81 ARG HA H 81 4.367 4.367 4.770 -0.403 25663 4059 1 8 . 1 1 81 81 ARG CA C 81 52.745 52.745 55.056 -2.311 25663 4060 1 8 . 1 1 81 81 ARG CB C 81 27.133 27.133 31.745 -4.612 25663 4061 1 8 . 1 1 81 81 ARG H H 81 8.367 8.367 8.774 -0.407 25663 4062 1 8 . 1 1 82 82 LEU HA H 82 4.145 4.145 4.185 -0.040 25663 4063 1 8 . 1 1 82 82 LEU C C 82 177.546 177.546 177.037 0.509 25663 4064 1 8 . 1 1 82 82 LEU CA C 82 56.857 56.857 55.161 1.696 25663 4065 1 8 . 1 1 82 82 LEU CB C 82 42.266 42.266 41.542 0.723 25663 4066 1 8 . 1 1 82 82 LEU H H 82 8.226 8.226 8.769 -0.543 25663 4067 1 8 . 1 1 83 83 ASN N N 83 115.779 115.779 117.825 -2.046 25663 4068 1 8 . 1 1 83 83 ASN HA H 83 4.913 4.913 4.627 0.286 25663 4069 1 8 . 1 1 83 83 ASN C C 83 175.764 175.764 176.133 -0.369 25663 4070 1 8 . 1 1 83 83 ASN CA C 83 51.627 51.627 52.902 -1.275 25663 4071 1 8 . 1 1 83 83 ASN CB C 83 37.505 37.505 36.678 0.827 25663 4072 1 8 . 1 1 83 83 ASN H H 83 8.628 8.628 8.431 0.197 25663 4073 1 8 . 1 1 84 84 ARG N N 84 121.554 121.554 120.393 1.161 25663 4074 1 8 . 1 1 84 84 ARG HA H 84 4.637 4.637 2.926 1.711 25663 4075 1 8 . 1 1 84 84 ARG C C 84 177.197 177.197 177.415 -0.218 25663 4076 1 8 . 1 1 84 84 ARG CA C 84 56.695 56.695 59.029 -2.334 25663 4077 1 8 . 1 1 84 84 ARG CB C 84 29.361 29.361 29.299 0.062 25663 4078 1 8 . 1 1 84 84 ARG H H 84 8.593 8.593 7.440 1.153 25663 4079 1 8 . 1 1 85 85 SER N N 85 116.623 116.623 114.499 2.124 25663 4080 1 8 . 1 1 85 85 SER HA H 85 4.628 4.628 4.216 0.412 25663 4081 1 8 . 1 1 85 85 SER C C 85 174.403 174.403 175.175 -0.772 25663 4082 1 8 . 1 1 85 85 SER CA C 85 58.827 58.827 60.336 -1.509 25663 4083 1 8 . 1 1 85 85 SER CB C 85 62.996 62.996 63.060 -0.064 25663 4084 1 8 . 1 1 85 85 SER H H 85 8.567 8.567 8.061 0.506 25663 4085 1 8 . 1 1 86 86 GLU N N 86 121.171 121.171 120.699 0.472 25663 4086 1 8 . 1 1 86 86 GLU HA H 86 3.864 3.864 4.352 -0.488 25663 4087 1 8 . 1 1 86 86 GLU C C 86 174.422 174.422 176.073 -1.651 25663 4088 1 8 . 1 1 86 86 GLU CA C 86 57.520 57.520 57.280 0.240 25663 4089 1 8 . 1 1 86 86 GLU CB C 86 31.292 31.292 30.616 0.676 25663 4090 1 8 . 1 1 86 86 GLU H H 86 7.219 7.219 8.204 -0.985 25663 4091 1 8 . 1 1 87 87 ARG N N 87 118.124 118.124 122.767 -4.643 25663 4092 1 8 . 1 1 87 87 ARG HA H 87 4.687 4.687 4.664 0.023 25663 4093 1 8 . 1 1 87 87 ARG C C 87 173.408 173.408 175.839 -2.431 25663 4094 1 8 . 1 1 87 87 ARG CA C 87 54.387 54.387 56.833 -2.446 25663 4095 1 8 . 1 1 87 87 ARG CB C 87 31.544 31.544 31.467 0.077 25663 4096 1 8 . 1 1 87 87 ARG H H 87 7.263 7.263 8.850 -1.587 25663 4097 1 8 . 1 1 88 88 TRP N N 88 121.383 121.383 125.029 -3.646 25663 4098 1 8 . 1 1 88 88 TRP HA H 88 4.899 4.899 4.933 -0.034 25663 4099 1 8 . 1 1 88 88 TRP CA C 88 54.508 54.508 56.895 -2.387 25663 4100 1 8 . 1 1 88 88 TRP CB C 88 33.610 33.610 32.377 1.233 25663 4101 1 8 . 1 1 88 88 TRP H H 88 8.811 8.811 9.345 -0.534 25663 4102 1 8 . 1 1 89 89 ASP N N 89 119.285 119.285 119.448 -0.163 25663 4103 1 8 . 1 1 89 89 ASP HA H 89 5.602 5.602 4.517 1.085 25663 4104 1 8 . 1 1 89 89 ASP C C 89 173.648 173.648 175.194 -1.546 25663 4105 1 8 . 1 1 89 89 ASP CA C 89 54.558 54.558 54.607 -0.049 25663 4106 1 8 . 1 1 89 89 ASP CB C 89 40.438 40.438 41.564 -1.126 25663 4107 1 8 . 1 1 89 89 ASP H H 89 8.552 8.552 8.363 0.189 25663 4108 1 8 . 1 1 90 90 ALA N N 90 121.014 121.014 118.066 2.948 25663 4109 1 8 . 1 1 90 90 ALA HA H 90 5.095 5.095 4.687 0.408 25663 4110 1 8 . 1 1 90 90 ALA C C 90 175.076 175.076 174.567 0.509 25663 4111 1 8 . 1 1 90 90 ALA CA C 90 52.089 52.089 52.186 -0.097 25663 4112 1 8 . 1 1 90 90 ALA CB C 90 23.118 23.118 21.925 1.193 25663 4113 1 8 . 1 1 90 90 ALA H H 90 8.449 8.449 7.499 0.950 25663 4114 1 8 . 1 1 91 91 TYR N N 91 118.243 118.243 117.567 0.676 25663 4115 1 8 . 1 1 91 91 TYR HA H 91 5.072 5.072 4.918 0.154 25663 4116 1 8 . 1 1 91 91 TYR C C 91 174.671 174.671 175.555 -0.884 25663 4117 1 8 . 1 1 91 91 TYR CA C 91 58.787 58.787 57.154 1.633 25663 4118 1 8 . 1 1 91 91 TYR CB C 91 40.686 40.686 42.125 -1.439 25663 4119 1 8 . 1 1 91 91 TYR H H 91 8.421 8.421 8.518 -0.097 25663 4120 1 8 . 1 1 92 92 CYS N N 92 119.931 119.931 119.267 0.664 25663 4121 1 8 . 1 1 92 92 CYS HA H 92 5.263 5.263 4.725 0.538 25663 4122 1 8 . 1 1 92 92 CYS C C 92 172.698 172.698 172.167 0.531 25663 4123 1 8 . 1 1 92 92 CYS CA C 92 50.601 50.601 58.952 -8.351 25663 4124 1 8 . 1 1 92 92 CYS CB C 92 37.818 37.818 31.305 6.513 25663 4125 1 8 . 1 1 92 92 CYS H H 92 8.459 8.459 8.977 -0.518 25663 4126 1 8 . 1 1 93 93 TYR N N 93 120.805 120.805 123.724 -2.919 25663 4127 1 8 . 1 1 93 93 TYR HA H 93 4.903 4.903 4.816 0.087 25663 4128 1 8 . 1 1 93 93 TYR C C 93 173.902 173.902 173.511 0.391 25663 4129 1 8 . 1 1 93 93 TYR CA C 93 57.096 57.096 57.247 -0.151 25663 4130 1 8 . 1 1 93 93 TYR CB C 93 41.665 41.665 41.468 0.198 25663 4131 1 8 . 1 1 93 93 TYR H H 93 9.410 9.410 8.286 1.124 25663 4132 1 8 . 1 1 94 94 ASN N N 94 124.511 124.511 126.635 -2.124 25663 4133 1 8 . 1 1 94 94 ASN HA H 94 4.774 4.774 5.066 -0.292 25663 4134 1 8 . 1 1 94 94 ASN CA C 94 49.599 49.599 49.240 0.359 25663 4135 1 8 . 1 1 94 94 ASN CB C 94 41.642 41.642 40.221 1.421 25663 4136 1 8 . 1 1 94 94 ASN H H 94 7.832 7.832 8.749 -0.917 25663 4137 1 8 . 1 1 95 95 PRO HA H 95 4.141 4.141 4.327 -0.185 25663 4138 1 8 . 1 1 95 95 PRO C C 95 176.345 176.345 176.899 -0.554 25663 4139 1 8 . 1 1 95 95 PRO CA C 95 63.800 63.800 64.046 -0.246 25663 4140 1 8 . 1 1 95 95 PRO CB C 95 32.046 32.046 32.075 -0.029 25663 4141 1 8 . 1 1 96 96 HIS N N 96 116.009 116.009 118.563 -2.554 25663 4142 1 8 . 1 1 96 96 HIS HA H 96 4.623 4.623 4.642 -0.019 25663 4143 1 8 . 1 1 96 96 HIS C C 96 173.999 173.999 174.192 -0.193 25663 4144 1 8 . 1 1 96 96 HIS CA C 96 55.046 55.046 55.600 -0.554 25663 4145 1 8 . 1 1 96 96 HIS CB C 96 28.821 28.821 28.648 0.173 25663 4146 1 8 . 1 1 96 96 HIS H H 96 8.354 8.354 8.366 -0.012 25663 4147 1 8 . 1 1 97 97 ALA N N 97 123.775 123.775 120.376 3.399 25663 4148 1 8 . 1 1 97 97 ALA HA H 97 4.269 4.269 4.189 0.080 25663 4149 1 8 . 1 1 97 97 ALA C C 97 176.350 176.350 176.351 -0.001 25663 4150 1 8 . 1 1 97 97 ALA CA C 97 51.796 51.796 52.283 -0.487 25663 4151 1 8 . 1 1 97 97 ALA CB C 97 19.648 19.648 20.545 -0.897 25663 4152 1 8 . 1 1 97 97 ALA H H 97 7.387 7.387 7.324 0.063 25663 4153 1 9 . 1 1 2 2 VAL N N 2 122.742 122.742 122.402 0.340 25663 4154 1 9 . 1 1 2 2 VAL HA H 2 5.257 5.257 4.326 0.931 25663 4155 1 9 . 1 1 2 2 VAL C C 2 174.533 174.533 175.154 -0.621 25663 4156 1 9 . 1 1 2 2 VAL CA C 2 60.536 60.536 61.423 -0.887 25663 4157 1 9 . 1 1 2 2 VAL CB C 2 33.278 33.278 32.315 0.963 25663 4158 1 9 . 1 1 2 2 VAL H H 2 8.486 8.486 8.261 0.225 25663 4159 1 9 . 1 1 3 3 TYR N N 3 120.172 120.172 123.704 -3.532 25663 4160 1 9 . 1 1 3 3 TYR HA H 3 4.964 4.964 5.157 -0.193 25663 4161 1 9 . 1 1 3 3 TYR C C 3 173.399 173.399 173.678 -0.279 25663 4162 1 9 . 1 1 3 3 TYR CA C 3 56.073 56.073 57.222 -1.149 25663 4163 1 9 . 1 1 3 3 TYR CB C 3 40.278 40.278 40.223 0.055 25663 4164 1 9 . 1 1 3 3 TYR H H 3 8.715 8.715 8.248 0.467 25663 4165 1 9 . 1 1 4 4 HIS N N 4 121.237 121.237 119.174 2.063 25663 4166 1 9 . 1 1 4 4 HIS HA H 4 4.929 4.929 4.836 0.093 25663 4167 1 9 . 1 1 4 4 HIS C C 4 172.844 172.844 174.224 -1.380 25663 4168 1 9 . 1 1 4 4 HIS CA C 4 54.154 54.154 55.542 -1.388 25663 4169 1 9 . 1 1 4 4 HIS CB C 4 30.961 30.961 30.361 0.600 25663 4170 1 9 . 1 1 4 4 HIS H H 4 9.414 9.414 8.815 0.599 25663 4171 1 9 . 1 1 5 5 ARG N N 5 128.770 128.770 123.636 5.134 25663 4172 1 9 . 1 1 5 5 ARG HA H 5 4.619 4.619 4.548 0.071 25663 4173 1 9 . 1 1 5 5 ARG C C 5 172.967 172.967 174.371 -1.404 25663 4174 1 9 . 1 1 5 5 ARG CA C 5 53.177 53.177 55.861 -2.684 25663 4175 1 9 . 1 1 5 5 ARG CB C 5 33.832 33.832 32.783 1.049 25663 4176 1 9 . 1 1 5 5 ARG H H 5 8.805 8.805 8.582 0.223 25663 4177 1 9 . 1 1 6 6 GLU N N 6 121.037 121.037 125.000 -3.963 25663 4178 1 9 . 1 1 6 6 GLU HA H 6 4.490 4.490 4.728 -0.238 25663 4179 1 9 . 1 1 6 6 GLU C C 6 176.264 176.264 174.975 1.289 25663 4180 1 9 . 1 1 6 6 GLU CA C 6 53.336 53.336 54.589 -1.253 25663 4181 1 9 . 1 1 6 6 GLU CB C 6 33.133 33.133 33.160 -0.027 25663 4182 1 9 . 1 1 6 6 GLU H H 6 8.232 8.232 8.543 -0.311 25663 4183 1 9 . 1 1 7 7 ALA N N 7 123.438 123.438 123.740 -0.302 25663 4184 1 9 . 1 1 7 7 ALA HA H 7 4.215 4.215 4.149 0.066 25663 4185 1 9 . 1 1 7 7 ALA C C 7 178.419 178.419 177.728 0.691 25663 4186 1 9 . 1 1 7 7 ALA CA C 7 52.182 52.182 52.956 -0.774 25663 4187 1 9 . 1 1 7 7 ALA CB C 7 20.128 20.128 19.162 0.966 25663 4188 1 9 . 1 1 7 7 ALA H H 7 8.756 8.756 8.792 -0.036 25663 4189 1 9 . 1 1 8 8 ARG N N 8 122.559 122.559 122.031 0.528 25663 4190 1 9 . 1 1 8 8 ARG HA H 8 3.998 3.998 4.207 -0.209 25663 4191 1 9 . 1 1 8 8 ARG C C 8 177.448 177.448 176.709 0.739 25663 4192 1 9 . 1 1 8 8 ARG CA C 8 58.660 58.660 58.098 0.562 25663 4193 1 9 . 1 1 8 8 ARG CB C 8 29.406 29.406 30.320 -0.914 25663 4194 1 9 . 1 1 8 8 ARG H H 8 8.945 8.945 8.775 0.170 25663 4195 1 9 . 1 1 9 9 SER N N 9 107.309 107.309 112.795 -5.486 25663 4196 1 9 . 1 1 9 9 SER HA H 9 4.261 4.261 4.590 -0.329 25663 4197 1 9 . 1 1 9 9 SER C C 9 174.411 174.411 174.858 -0.447 25663 4198 1 9 . 1 1 9 9 SER CA C 9 58.081 58.081 57.969 0.112 25663 4199 1 9 . 1 1 9 9 SER CB C 9 62.972 62.972 63.977 -1.006 25663 4200 1 9 . 1 1 9 9 SER H H 9 7.445 7.445 7.983 -0.538 25663 4201 1 9 . 1 1 10 10 GLY N N 10 109.574 109.574 110.192 -0.618 25663 4202 1 9 . 1 1 10 10 GLY C C 10 171.580 171.580 173.174 -1.594 25663 4203 1 9 . 1 1 10 10 GLY CA C 10 44.036 44.036 44.331 -0.295 25663 4204 1 9 . 1 1 10 10 GLY H H 10 7.379 7.379 7.590 -0.211 25663 4205 1 9 . 1 1 11 11 LYS N N 11 121.683 121.683 120.398 1.285 25663 4206 1 9 . 1 1 11 11 LYS HA H 11 3.993 3.993 4.524 -0.531 25663 4207 1 9 . 1 1 11 11 LYS C C 11 175.995 175.995 174.878 1.117 25663 4208 1 9 . 1 1 11 11 LYS CA C 11 57.374 57.374 56.858 0.517 25663 4209 1 9 . 1 1 11 11 LYS CB C 11 34.009 34.009 33.300 0.709 25663 4210 1 9 . 1 1 11 11 LYS H H 11 8.040 8.040 8.223 -0.183 25663 4211 1 9 . 1 1 12 12 TYR N N 12 122.956 122.956 119.557 3.399 25663 4212 1 9 . 1 1 12 12 TYR HA H 12 3.990 3.990 4.130 -0.140 25663 4213 1 9 . 1 1 12 12 TYR C C 12 173.905 173.905 174.688 -0.783 25663 4214 1 9 . 1 1 12 12 TYR CA C 12 54.397 54.397 59.026 -4.629 25663 4215 1 9 . 1 1 12 12 TYR CB C 12 32.105 32.105 36.733 -4.628 25663 4216 1 9 . 1 1 12 12 TYR H H 12 9.830 9.830 8.864 0.966 25663 4217 1 9 . 1 1 13 13 LYS N N 13 114.683 114.683 118.224 -3.541 25663 4218 1 9 . 1 1 13 13 LYS HA H 13 4.577 4.577 4.541 0.036 25663 4219 1 9 . 1 1 13 13 LYS C C 13 176.999 176.999 175.080 1.919 25663 4220 1 9 . 1 1 13 13 LYS CA C 13 55.014 55.014 55.643 -0.629 25663 4221 1 9 . 1 1 13 13 LYS CB C 13 35.021 35.021 33.285 1.736 25663 4222 1 9 . 1 1 13 13 LYS H H 13 8.445 8.445 8.276 0.169 25663 4223 1 9 . 1 1 14 14 LEU N N 14 123.176 123.176 120.709 2.467 25663 4224 1 9 . 1 1 14 14 LEU HA H 14 5.122 5.122 5.151 -0.029 25663 4225 1 9 . 1 1 14 14 LEU C C 14 178.304 178.304 176.188 2.116 25663 4226 1 9 . 1 1 14 14 LEU CA C 14 54.800 54.800 53.414 1.386 25663 4227 1 9 . 1 1 14 14 LEU CB C 14 43.528 43.528 45.700 -2.172 25663 4228 1 9 . 1 1 14 14 LEU H H 14 9.479 9.479 7.719 1.760 25663 4229 1 9 . 1 1 15 15 THR N N 15 116.144 116.144 113.426 2.718 25663 4230 1 9 . 1 1 15 15 THR HA H 15 5.485 5.485 5.079 0.406 25663 4231 1 9 . 1 1 15 15 THR C C 15 174.697 174.697 175.757 -1.060 25663 4232 1 9 . 1 1 15 15 THR CA C 15 61.722 61.722 59.254 2.468 25663 4233 1 9 . 1 1 15 15 THR CB C 15 70.914 70.914 71.322 -0.408 25663 4234 1 9 . 1 1 15 15 THR H H 15 8.792 8.792 8.440 0.352 25663 4235 1 9 . 1 1 16 16 TYR N N 16 120.594 120.594 121.675 -1.081 25663 4236 1 9 . 1 1 16 16 TYR HA H 16 2.375 2.375 3.709 -1.334 25663 4237 1 9 . 1 1 16 16 TYR C C 16 176.133 176.133 177.152 -1.019 25663 4238 1 9 . 1 1 16 16 TYR CA C 16 61.408 61.408 61.625 -0.217 25663 4239 1 9 . 1 1 16 16 TYR CB C 16 36.889 36.889 36.051 0.838 25663 4240 1 9 . 1 1 16 16 TYR H H 16 7.402 7.402 8.479 -1.077 25663 4241 1 9 . 1 1 17 17 ALA N N 17 118.108 118.108 120.279 -2.171 25663 4242 1 9 . 1 1 17 17 ALA HA H 17 3.509 3.509 3.817 -0.308 25663 4243 1 9 . 1 1 17 17 ALA C C 17 181.575 181.575 179.119 2.456 25663 4244 1 9 . 1 1 17 17 ALA CA C 17 54.732 54.732 54.267 0.465 25663 4245 1 9 . 1 1 17 17 ALA CB C 17 18.124 18.124 17.718 0.406 25663 4246 1 9 . 1 1 17 17 ALA H H 17 8.545 8.545 6.478 2.067 25663 4247 1 9 . 1 1 18 18 GLU N N 18 117.696 117.696 118.890 -1.194 25663 4248 1 9 . 1 1 18 18 GLU HA H 18 3.879 3.879 3.984 -0.105 25663 4249 1 9 . 1 1 18 18 GLU C C 18 178.624 178.624 178.975 -0.351 25663 4250 1 9 . 1 1 18 18 GLU CA C 18 58.432 58.432 58.495 -0.062 25663 4251 1 9 . 1 1 18 18 GLU CB C 18 30.814 30.814 29.654 1.160 25663 4252 1 9 . 1 1 18 18 GLU H H 18 7.327 7.327 7.237 0.090 25663 4253 1 9 . 1 1 19 19 ALA N N 19 124.629 124.629 122.513 2.116 25663 4254 1 9 . 1 1 19 19 ALA HA H 19 3.871 3.871 3.929 -0.058 25663 4255 1 9 . 1 1 19 19 ALA C C 19 177.371 177.371 179.455 -2.084 25663 4256 1 9 . 1 1 19 19 ALA CA C 19 54.955 54.955 55.257 -0.301 25663 4257 1 9 . 1 1 19 19 ALA CB C 19 19.893 19.893 18.248 1.645 25663 4258 1 9 . 1 1 19 19 ALA H H 19 8.744 8.744 8.667 0.077 25663 4259 1 9 . 1 1 20 20 LYS N N 20 117.842 117.842 116.515 1.327 25663 4260 1 9 . 1 1 20 20 LYS HA H 20 3.435 3.435 3.992 -0.557 25663 4261 1 9 . 1 1 20 20 LYS C C 20 178.017 178.017 177.815 0.202 25663 4262 1 9 . 1 1 20 20 LYS CA C 20 60.086 60.086 59.006 1.080 25663 4263 1 9 . 1 1 20 20 LYS CB C 20 33.186 33.186 32.347 0.839 25663 4264 1 9 . 1 1 20 20 LYS H H 20 8.188 8.188 7.431 0.757 25663 4265 1 9 . 1 1 21 21 ALA N N 21 117.564 117.564 121.143 -3.579 25663 4266 1 9 . 1 1 21 21 ALA HA H 21 4.040 4.040 4.128 -0.088 25663 4267 1 9 . 1 1 21 21 ALA C C 21 180.598 180.598 179.385 1.213 25663 4268 1 9 . 1 1 21 21 ALA CA C 21 54.991 54.991 54.812 0.179 25663 4269 1 9 . 1 1 21 21 ALA CB C 21 18.071 18.071 18.803 -0.732 25663 4270 1 9 . 1 1 21 21 ALA H H 21 7.382 7.382 7.787 -0.405 25663 4271 1 9 . 1 1 22 22 VAL N N 22 120.351 120.351 112.213 8.138 25663 4272 1 9 . 1 1 22 22 VAL HA H 22 3.883 3.883 3.847 0.036 25663 4273 1 9 . 1 1 22 22 VAL C C 22 177.921 177.921 176.496 1.425 25663 4274 1 9 . 1 1 22 22 VAL CA C 22 66.242 66.242 64.802 1.440 25663 4275 1 9 . 1 1 22 22 VAL CB C 22 31.136 31.136 31.909 -0.773 25663 4276 1 9 . 1 1 22 22 VAL H H 22 8.203 8.203 7.450 0.753 25663 4277 1 9 . 1 1 23 23 CYS N N 23 116.368 116.368 117.743 -1.375 25663 4278 1 9 . 1 1 23 23 CYS HA H 23 4.352 4.352 4.731 -0.379 25663 4279 1 9 . 1 1 23 23 CYS C C 23 178.687 178.687 175.592 3.095 25663 4280 1 9 . 1 1 23 23 CYS CA C 23 55.224 55.224 58.203 -2.979 25663 4281 1 9 . 1 1 23 23 CYS CB C 23 33.542 33.542 28.870 4.672 25663 4282 1 9 . 1 1 23 23 CYS H H 23 7.788 7.788 7.849 -0.061 25663 4283 1 9 . 1 1 24 24 GLU N N 24 120.341 120.341 120.945 -0.604 25663 4284 1 9 . 1 1 24 24 GLU HA H 24 4.259 4.259 4.107 0.152 25663 4285 1 9 . 1 1 24 24 GLU C C 24 180.516 180.516 177.470 3.046 25663 4286 1 9 . 1 1 24 24 GLU CA C 24 58.412 58.412 58.918 -0.506 25663 4287 1 9 . 1 1 24 24 GLU CB C 24 28.855 28.855 29.121 -0.266 25663 4288 1 9 . 1 1 24 24 GLU H H 24 8.196 8.196 8.871 -0.675 25663 4289 1 9 . 1 1 25 25 PHE N N 25 124.937 124.937 121.404 3.533 25663 4290 1 9 . 1 1 25 25 PHE HA H 25 4.267 4.267 4.294 -0.027 25663 4291 1 9 . 1 1 25 25 PHE C C 25 177.593 177.593 176.300 1.293 25663 4292 1 9 . 1 1 25 25 PHE CA C 25 60.845 60.845 60.652 0.193 25663 4293 1 9 . 1 1 25 25 PHE CB C 25 39.035 39.035 39.559 -0.524 25663 4294 1 9 . 1 1 25 25 PHE H H 25 8.946 8.946 8.414 0.532 25663 4295 1 9 . 1 1 26 26 GLU N N 26 114.486 114.486 117.726 -3.240 25663 4296 1 9 . 1 1 26 26 GLU HA H 26 4.090 4.090 4.281 -0.191 25663 4297 1 9 . 1 1 26 26 GLU C C 26 175.712 175.712 177.316 -1.604 25663 4298 1 9 . 1 1 26 26 GLU CA C 26 56.249 56.249 55.903 0.346 25663 4299 1 9 . 1 1 26 26 GLU CB C 26 29.418 29.418 29.020 0.398 25663 4300 1 9 . 1 1 26 26 GLU H H 26 7.359 7.359 8.558 -1.199 25663 4301 1 9 . 1 1 27 27 GLY N N 27 106.503 106.503 107.660 -1.157 25663 4302 1 9 . 1 1 27 27 GLY C C 27 174.107 174.107 174.871 -0.764 25663 4303 1 9 . 1 1 27 27 GLY CA C 27 45.426 45.426 45.424 0.002 25663 4304 1 9 . 1 1 27 27 GLY H H 27 7.695 7.695 7.721 -0.026 25663 4305 1 9 . 1 1 28 28 GLY N N 28 109.515 109.515 108.737 0.778 25663 4306 1 9 . 1 1 28 28 GLY C C 28 172.079 172.079 173.033 -0.954 25663 4307 1 9 . 1 1 28 28 GLY CA C 28 43.788 43.788 44.081 -0.293 25663 4308 1 9 . 1 1 28 28 GLY H H 28 7.745 7.745 7.981 -0.236 25663 4309 1 9 . 1 1 29 29 HIS N N 29 116.220 116.220 115.480 0.740 25663 4310 1 9 . 1 1 29 29 HIS HA H 29 4.865 4.865 4.594 0.271 25663 4311 1 9 . 1 1 29 29 HIS C C 29 174.118 174.118 174.152 -0.034 25663 4312 1 9 . 1 1 29 29 HIS CA C 29 54.169 54.169 54.985 -0.816 25663 4313 1 9 . 1 1 29 29 HIS CB C 29 33.436 33.436 33.443 -0.007 25663 4314 1 9 . 1 1 29 29 HIS H H 29 8.412 8.412 7.761 0.651 25663 4315 1 9 . 1 1 30 30 LEU N N 30 124.046 124.046 120.615 3.431 25663 4316 1 9 . 1 1 30 30 LEU HA H 30 4.912 4.912 4.686 0.226 25663 4317 1 9 . 1 1 30 30 LEU C C 30 178.158 178.158 177.611 0.547 25663 4318 1 9 . 1 1 30 30 LEU CA C 30 56.817 56.817 55.064 1.753 25663 4319 1 9 . 1 1 30 30 LEU CB C 30 42.534 42.534 42.449 0.085 25663 4320 1 9 . 1 1 30 30 LEU H H 30 9.399 9.399 7.896 1.503 25663 4321 1 9 . 1 1 31 31 ALA N N 31 126.730 126.730 126.317 0.413 25663 4322 1 9 . 1 1 31 31 ALA HA H 31 4.403 4.403 4.115 0.288 25663 4323 1 9 . 1 1 31 31 ALA C C 31 176.879 176.879 177.123 -0.244 25663 4324 1 9 . 1 1 31 31 ALA CA C 31 52.006 52.006 51.941 0.065 25663 4325 1 9 . 1 1 31 31 ALA CB C 31 19.593 19.593 17.244 2.349 25663 4326 1 9 . 1 1 31 31 ALA H H 31 9.331 9.331 9.059 0.272 25663 4327 1 9 . 1 1 32 32 THR N N 32 111.206 111.206 120.226 -9.020 25663 4328 1 9 . 1 1 32 32 THR HA H 32 4.528 4.528 4.228 0.300 25663 4329 1 9 . 1 1 32 32 THR C C 32 174.899 174.899 175.093 -0.194 25663 4330 1 9 . 1 1 32 32 THR CA C 32 59.818 59.818 62.902 -3.084 25663 4331 1 9 . 1 1 32 32 THR CB C 32 70.949 70.949 69.767 1.182 25663 4332 1 9 . 1 1 32 32 THR H H 32 8.511 8.511 8.017 0.494 25663 4333 1 9 . 1 1 33 33 TYR N N 33 121.971 121.971 127.499 -5.528 25663 4334 1 9 . 1 1 33 33 TYR HA H 33 3.745 3.745 3.967 -0.222 25663 4335 1 9 . 1 1 33 33 TYR C C 33 176.176 176.176 177.360 -1.184 25663 4336 1 9 . 1 1 33 33 TYR CA C 33 62.320 62.320 63.445 -1.125 25663 4337 1 9 . 1 1 33 33 TYR CB C 33 38.737 38.737 38.497 0.240 25663 4338 1 9 . 1 1 33 33 TYR H H 33 8.623 8.623 8.834 -0.211 25663 4339 1 9 . 1 1 34 34 LYS N N 34 116.509 116.509 119.696 -3.187 25663 4340 1 9 . 1 1 34 34 LYS HA H 34 3.905 3.905 3.954 -0.049 25663 4341 1 9 . 1 1 34 34 LYS C C 34 180.207 180.207 178.647 1.560 25663 4342 1 9 . 1 1 34 34 LYS CA C 34 59.854 59.854 59.722 0.132 25663 4343 1 9 . 1 1 34 34 LYS CB C 34 32.743 32.743 31.385 1.358 25663 4344 1 9 . 1 1 34 34 LYS H H 34 8.284 8.284 8.369 -0.085 25663 4345 1 9 . 1 1 35 35 GLN N N 35 119.270 119.270 118.683 0.587 25663 4346 1 9 . 1 1 35 35 GLN HA H 35 3.822 3.822 3.981 -0.159 25663 4347 1 9 . 1 1 35 35 GLN C C 35 179.050 179.050 178.292 0.758 25663 4348 1 9 . 1 1 35 35 GLN CA C 35 58.402 58.402 58.353 0.049 25663 4349 1 9 . 1 1 35 35 GLN CB C 35 26.715 26.715 27.672 -0.957 25663 4350 1 9 . 1 1 35 35 GLN H H 35 7.747 7.747 7.950 -0.203 25663 4351 1 9 . 1 1 36 36 LEU N N 36 122.992 122.992 120.516 2.476 25663 4352 1 9 . 1 1 36 36 LEU HA H 36 3.891 3.891 3.602 0.289 25663 4353 1 9 . 1 1 36 36 LEU C C 36 177.812 177.812 178.711 -0.899 25663 4354 1 9 . 1 1 36 36 LEU CA C 36 58.166 58.166 57.720 0.446 25663 4355 1 9 . 1 1 36 36 LEU CB C 36 41.981 41.981 41.660 0.321 25663 4356 1 9 . 1 1 36 36 LEU H H 36 8.473 8.473 8.202 0.271 25663 4357 1 9 . 1 1 37 37 GLU N N 37 120.512 120.512 119.459 1.053 25663 4358 1 9 . 1 1 37 37 GLU HA H 37 4.244 4.244 3.778 0.466 25663 4359 1 9 . 1 1 37 37 GLU C C 37 177.984 177.984 178.196 -0.212 25663 4360 1 9 . 1 1 37 37 GLU CA C 37 58.018 58.018 58.917 -0.899 25663 4361 1 9 . 1 1 37 37 GLU CB C 37 28.236 28.236 29.005 -0.769 25663 4362 1 9 . 1 1 37 37 GLU H H 37 8.526 8.526 8.352 0.174 25663 4363 1 9 . 1 1 38 38 ALA N N 38 121.256 121.256 120.195 1.061 25663 4364 1 9 . 1 1 38 38 ALA HA H 38 3.995 3.995 4.160 -0.165 25663 4365 1 9 . 1 1 38 38 ALA C C 38 180.513 180.513 179.047 1.466 25663 4366 1 9 . 1 1 38 38 ALA CA C 38 54.968 54.968 54.475 0.493 25663 4367 1 9 . 1 1 38 38 ALA CB C 38 17.792 17.792 18.460 -0.669 25663 4368 1 9 . 1 1 38 38 ALA H H 38 7.806 7.806 7.288 0.518 25663 4369 1 9 . 1 1 39 39 ALA N N 39 120.185 120.185 120.865 -0.680 25663 4370 1 9 . 1 1 39 39 ALA HA H 39 4.164 4.164 4.197 -0.033 25663 4371 1 9 . 1 1 39 39 ALA C C 39 180.063 180.063 179.616 0.447 25663 4372 1 9 . 1 1 39 39 ALA CA C 39 54.064 54.064 54.080 -0.016 25663 4373 1 9 . 1 1 39 39 ALA CB C 39 17.883 17.883 18.169 -0.286 25663 4374 1 9 . 1 1 39 39 ALA H H 39 7.495 7.495 7.486 0.009 25663 4375 1 9 . 1 1 40 40 ARG N N 40 124.604 124.604 119.140 5.464 25663 4376 1 9 . 1 1 40 40 ARG HA H 40 4.658 4.658 4.118 0.540 25663 4377 1 9 . 1 1 40 40 ARG C C 40 180.610 180.610 178.135 2.475 25663 4378 1 9 . 1 1 40 40 ARG CA C 40 58.559 58.559 58.476 0.083 25663 4379 1 9 . 1 1 40 40 ARG CB C 40 30.707 30.707 30.024 0.683 25663 4380 1 9 . 1 1 40 40 ARG H H 40 8.789 8.789 8.449 0.340 25663 4381 1 9 . 1 1 41 41 LYS N N 41 117.810 117.810 117.699 0.111 25663 4382 1 9 . 1 1 41 41 LYS HA H 41 3.925 3.925 4.236 -0.311 25663 4383 1 9 . 1 1 41 41 LYS C C 41 178.134 178.134 177.226 0.908 25663 4384 1 9 . 1 1 41 41 LYS CA C 41 59.409 59.409 58.068 1.341 25663 4385 1 9 . 1 1 41 41 LYS CB C 41 32.786 32.786 31.573 1.213 25663 4386 1 9 . 1 1 41 41 LYS H H 41 8.267 8.267 7.657 0.610 25663 4387 1 9 . 1 1 42 42 ILE N N 42 110.889 110.889 119.233 -8.344 25663 4388 1 9 . 1 1 42 42 ILE HA H 42 4.581 4.581 4.270 0.311 25663 4389 1 9 . 1 1 42 42 ILE C C 42 176.527 176.527 175.733 0.794 25663 4390 1 9 . 1 1 42 42 ILE CA C 42 60.751 60.751 60.793 -0.042 25663 4391 1 9 . 1 1 42 42 ILE CB C 42 37.739 37.739 38.032 -0.293 25663 4392 1 9 . 1 1 42 42 ILE H H 42 7.263 7.263 8.075 -0.812 25663 4393 1 9 . 1 1 43 43 GLY N N 43 108.366 108.366 108.717 -0.351 25663 4394 1 9 . 1 1 43 43 GLY C C 43 173.880 173.880 174.400 -0.520 25663 4395 1 9 . 1 1 43 43 GLY CA C 43 45.585 45.585 45.401 0.183 25663 4396 1 9 . 1 1 43 43 GLY H H 43 7.816 7.816 7.536 0.280 25663 4397 1 9 . 1 1 44 44 PHE N N 44 125.650 125.650 119.729 5.921 25663 4398 1 9 . 1 1 44 44 PHE HA H 44 4.510 4.510 4.241 0.269 25663 4399 1 9 . 1 1 44 44 PHE C C 44 171.183 171.183 174.915 -3.732 25663 4400 1 9 . 1 1 44 44 PHE CA C 44 59.012 59.012 59.366 -0.354 25663 4401 1 9 . 1 1 44 44 PHE CB C 44 39.986 39.986 39.842 0.144 25663 4402 1 9 . 1 1 44 44 PHE H H 44 8.003 8.003 7.763 0.240 25663 4403 1 9 . 1 1 45 45 HIS N N 45 126.999 126.999 126.639 0.360 25663 4404 1 9 . 1 1 45 45 HIS HA H 45 4.728 4.728 4.778 -0.050 25663 4405 1 9 . 1 1 45 45 HIS C C 45 175.134 175.134 172.845 2.289 25663 4406 1 9 . 1 1 45 45 HIS CA C 45 55.539 55.539 55.304 0.235 25663 4407 1 9 . 1 1 45 45 HIS CB C 45 34.586 34.586 31.736 2.849 25663 4408 1 9 . 1 1 45 45 HIS H H 45 7.326 7.326 7.754 -0.428 25663 4409 1 9 . 1 1 46 46 VAL N N 46 126.425 126.425 123.734 2.691 25663 4410 1 9 . 1 1 46 46 VAL HA H 46 3.665 3.665 4.072 -0.407 25663 4411 1 9 . 1 1 46 46 VAL CA C 46 61.647 61.647 60.541 1.106 25663 4412 1 9 . 1 1 46 46 VAL CB C 46 35.141 35.141 35.649 -0.508 25663 4413 1 9 . 1 1 46 46 VAL H H 46 8.147 8.147 7.888 0.259 25663 4414 1 9 . 1 1 47 47 CYS N N 47 127.308 127.308 121.725 5.583 25663 4415 1 9 . 1 1 47 47 CYS HA H 47 4.470 4.470 4.851 -0.381 25663 4416 1 9 . 1 1 47 47 CYS C C 47 172.533 172.533 172.973 -0.440 25663 4417 1 9 . 1 1 47 47 CYS CA C 47 55.259 55.259 58.782 -3.523 25663 4418 1 9 . 1 1 47 47 CYS CB C 47 44.867 44.867 26.049 18.818 25663 4419 1 9 . 1 1 47 47 CYS H H 47 8.675 8.675 8.651 0.024 25663 4420 1 9 . 1 1 48 48 ALA N N 48 120.376 120.376 122.622 -2.246 25663 4421 1 9 . 1 1 48 48 ALA HA H 48 4.278 4.278 4.504 -0.226 25663 4422 1 9 . 1 1 48 48 ALA C C 48 173.936 173.936 175.074 -1.138 25663 4423 1 9 . 1 1 48 48 ALA CA C 48 51.286 51.286 50.769 0.517 25663 4424 1 9 . 1 1 48 48 ALA CB C 48 19.831 19.831 22.203 -2.373 25663 4425 1 9 . 1 1 48 48 ALA H H 48 6.500 6.500 7.462 -0.962 25663 4426 1 9 . 1 1 49 49 ALA N N 49 130.715 130.715 123.739 6.976 25663 4427 1 9 . 1 1 49 49 ALA HA H 49 3.834 3.834 4.129 -0.295 25663 4428 1 9 . 1 1 49 49 ALA C C 49 176.061 176.061 176.076 -0.015 25663 4429 1 9 . 1 1 49 49 ALA CA C 49 53.466 53.466 50.978 2.488 25663 4430 1 9 . 1 1 49 49 ALA CB C 49 18.332 18.332 20.141 -1.809 25663 4431 1 9 . 1 1 49 49 ALA H H 49 8.424 8.424 8.175 0.249 25663 4432 1 9 . 1 1 50 50 GLY N N 50 107.085 107.085 111.171 -4.086 25663 4433 1 9 . 1 1 50 50 GLY C C 50 170.793 170.793 172.604 -1.811 25663 4434 1 9 . 1 1 50 50 GLY CA C 50 43.792 43.792 44.029 -0.237 25663 4435 1 9 . 1 1 50 50 GLY H H 50 8.746 8.746 8.044 0.702 25663 4436 1 9 . 1 1 51 51 TRP N N 51 121.565 121.565 119.748 1.817 25663 4437 1 9 . 1 1 51 51 TRP HA H 51 4.960 4.960 4.826 0.134 25663 4438 1 9 . 1 1 51 51 TRP C C 51 174.095 174.095 175.321 -1.226 25663 4439 1 9 . 1 1 51 51 TRP CA C 51 58.852 58.852 56.690 2.162 25663 4440 1 9 . 1 1 51 51 TRP CB C 51 32.034 32.034 32.178 -0.144 25663 4441 1 9 . 1 1 51 51 TRP H H 51 8.596 8.596 8.066 0.530 25663 4442 1 9 . 1 1 52 52 MET N N 52 118.713 118.713 120.423 -1.710 25663 4443 1 9 . 1 1 52 52 MET HA H 52 4.945 4.945 4.959 -0.014 25663 4444 1 9 . 1 1 52 52 MET C C 52 174.575 174.575 174.203 0.372 25663 4445 1 9 . 1 1 52 52 MET CA C 52 54.277 54.277 53.685 0.592 25663 4446 1 9 . 1 1 52 52 MET CB C 52 39.146 39.146 37.214 1.932 25663 4447 1 9 . 1 1 52 52 MET H H 52 9.116 9.116 8.696 0.420 25663 4448 1 9 . 1 1 53 53 ALA N N 53 120.116 120.116 123.562 -3.446 25663 4449 1 9 . 1 1 53 53 ALA HA H 53 4.186 4.186 4.190 -0.004 25663 4450 1 9 . 1 1 53 53 ALA C C 53 178.250 178.250 178.354 -0.104 25663 4451 1 9 . 1 1 53 53 ALA CA C 53 53.791 53.791 54.060 -0.269 25663 4452 1 9 . 1 1 53 53 ALA CB C 53 19.462 19.462 19.107 0.355 25663 4453 1 9 . 1 1 53 53 ALA H H 53 8.517 8.517 8.756 -0.239 25663 4454 1 9 . 1 1 54 54 LYS N N 54 112.641 112.641 120.702 -8.061 25663 4455 1 9 . 1 1 54 54 LYS HA H 54 3.857 3.857 3.862 -0.005 25663 4456 1 9 . 1 1 54 54 LYS C C 54 175.913 175.913 176.839 -0.926 25663 4457 1 9 . 1 1 54 54 LYS CA C 54 57.608 57.608 56.843 0.765 25663 4458 1 9 . 1 1 54 54 LYS CB C 54 29.796 29.796 30.509 -0.713 25663 4459 1 9 . 1 1 54 54 LYS H H 54 8.866 8.866 8.965 -0.099 25663 4460 1 9 . 1 1 55 55 GLY N N 55 104.227 104.227 104.500 -0.273 25663 4461 1 9 . 1 1 55 55 GLY C C 55 173.820 173.820 175.232 -1.412 25663 4462 1 9 . 1 1 55 55 GLY CA C 55 45.933 45.933 45.870 0.063 25663 4463 1 9 . 1 1 55 55 GLY H H 55 8.239 8.239 8.447 -0.208 25663 4464 1 9 . 1 1 56 56 ARG N N 56 122.045 122.045 120.885 1.160 25663 4465 1 9 . 1 1 56 56 ARG HA H 56 4.771 4.771 4.410 0.361 25663 4466 1 9 . 1 1 56 56 ARG C C 56 173.828 173.828 175.678 -1.850 25663 4467 1 9 . 1 1 56 56 ARG CA C 56 55.010 55.010 55.641 -0.631 25663 4468 1 9 . 1 1 56 56 ARG CB C 56 31.939 31.939 28.837 3.102 25663 4469 1 9 . 1 1 56 56 ARG H H 56 6.825 6.825 7.963 -1.138 25663 4470 1 9 . 1 1 57 57 VAL N N 57 122.581 122.581 122.093 0.488 25663 4471 1 9 . 1 1 57 57 VAL HA H 57 4.632 4.632 3.940 0.692 25663 4472 1 9 . 1 1 57 57 VAL C C 57 173.775 173.775 174.996 -1.221 25663 4473 1 9 . 1 1 57 57 VAL CA C 57 59.946 59.946 63.346 -3.401 25663 4474 1 9 . 1 1 57 57 VAL CB C 57 35.191 35.191 32.117 3.074 25663 4475 1 9 . 1 1 57 57 VAL H H 57 7.084 7.084 8.138 -1.054 25663 4476 1 9 . 1 1 58 58 GLY N N 58 112.994 112.994 116.705 -3.711 25663 4477 1 9 . 1 1 58 58 GLY C C 58 171.431 171.431 172.613 -1.182 25663 4478 1 9 . 1 1 58 58 GLY CA C 58 46.285 46.285 45.365 0.920 25663 4479 1 9 . 1 1 58 58 GLY H H 58 8.112 8.112 8.676 -0.564 25663 4480 1 9 . 1 1 59 59 TYR N N 59 111.540 111.540 118.869 -7.329 25663 4481 1 9 . 1 1 59 59 TYR HA H 59 4.337 4.337 4.748 -0.411 25663 4482 1 9 . 1 1 59 59 TYR CA C 59 55.972 55.972 53.512 2.460 25663 4483 1 9 . 1 1 59 59 TYR CB C 59 34.363 34.363 38.032 -3.669 25663 4484 1 9 . 1 1 59 59 TYR H H 59 7.796 7.796 8.058 -0.262 25663 4485 1 9 . 1 1 60 60 PRO HA H 60 4.497 4.497 4.372 0.125 25663 4486 1 9 . 1 1 60 60 PRO CA C 60 62.231 62.231 62.680 -0.449 25663 4487 1 9 . 1 1 60 60 PRO CB C 60 33.314 33.314 32.775 0.539 25663 4488 1 9 . 1 1 61 61 ILE HA H 61 4.444 4.444 4.477 -0.033 25663 4489 1 9 . 1 1 61 61 ILE CA C 61 56.601 56.601 60.724 -4.123 25663 4490 1 9 . 1 1 61 61 ILE CB C 61 38.417 38.417 39.094 -0.677 25663 4491 1 9 . 1 1 62 62 VAL HA H 62 3.935 3.935 4.010 -0.075 25663 4492 1 9 . 1 1 62 62 VAL CA C 62 64.377 64.377 64.498 -0.121 25663 4493 1 9 . 1 1 62 62 VAL CB C 62 34.087 34.087 32.413 1.674 25663 4494 1 9 . 1 1 62 62 VAL H H 62 11.229 11.229 8.697 2.532 25663 4495 1 9 . 1 1 63 63 LYS N N 63 122.578 122.578 119.919 2.659 25663 4496 1 9 . 1 1 63 63 LYS HA H 63 4.753 4.753 4.280 0.473 25663 4497 1 9 . 1 1 63 63 LYS CA C 63 52.473 52.473 54.643 -2.170 25663 4498 1 9 . 1 1 63 63 LYS CB C 63 32.983 32.983 31.691 1.292 25663 4499 1 9 . 1 1 63 63 LYS H H 63 7.501 7.501 7.551 -0.050 25663 4500 1 9 . 1 1 64 64 PRO HA H 64 4.362 4.362 4.338 0.024 25663 4501 1 9 . 1 1 64 64 PRO CA C 64 63.124 63.124 63.024 0.100 25663 4502 1 9 . 1 1 64 64 PRO CB C 64 32.121 32.121 32.270 -0.149 25663 4503 1 9 . 1 1 65 65 GLY CA C 65 45.512 45.512 43.882 1.630 25663 4504 1 9 . 1 1 65 65 GLY H H 65 8.377 8.377 7.808 0.569 25663 4505 1 9 . 1 1 66 66 PRO HA H 66 4.010 4.010 4.239 -0.229 25663 4506 1 9 . 1 1 66 66 PRO C C 66 177.072 177.072 177.346 -0.274 25663 4507 1 9 . 1 1 66 66 PRO CA C 66 64.765 64.765 64.540 0.225 25663 4508 1 9 . 1 1 66 66 PRO CB C 66 32.121 32.121 32.186 -0.065 25663 4509 1 9 . 1 1 67 67 ASN N N 67 114.419 114.419 114.100 0.319 25663 4510 1 9 . 1 1 67 67 ASN HA H 67 4.995 4.995 4.627 0.368 25663 4511 1 9 . 1 1 67 67 ASN C C 67 173.872 173.872 174.349 -0.477 25663 4512 1 9 . 1 1 67 67 ASN CA C 67 52.349 52.349 52.382 -0.033 25663 4513 1 9 . 1 1 67 67 ASN CB C 67 38.955 38.955 37.652 1.303 25663 4514 1 9 . 1 1 67 67 ASN H H 67 8.330 8.330 8.348 -0.018 25663 4515 1 9 . 1 1 68 68 CYS N N 68 118.995 118.995 115.009 3.986 25663 4516 1 9 . 1 1 68 68 CYS HA H 68 5.034 5.034 4.575 0.459 25663 4517 1 9 . 1 1 68 68 CYS CA C 68 54.247 54.247 58.767 -4.520 25663 4518 1 9 . 1 1 68 68 CYS CB C 68 44.260 44.260 28.547 15.713 25663 4519 1 9 . 1 1 68 68 CYS H H 68 7.327 7.327 7.742 -0.415 25663 4520 1 9 . 1 1 70 70 PHE HA H 70 4.305 4.305 3.953 0.352 25663 4521 1 9 . 1 1 70 70 PHE CA C 70 58.889 58.889 61.063 -2.174 25663 4522 1 9 . 1 1 70 70 PHE CB C 70 36.557 36.557 37.443 -0.886 25663 4523 1 9 . 1 1 71 71 GLY N N 71 105.368 105.368 104.088 1.280 25663 4524 1 9 . 1 1 71 71 GLY CA C 71 46.043 46.043 45.114 0.929 25663 4525 1 9 . 1 1 71 71 GLY H H 71 7.339 7.339 8.369 -1.030 25663 4526 1 9 . 1 1 72 72 LYS N N 72 120.404 120.404 123.523 -3.119 25663 4527 1 9 . 1 1 72 72 LYS HA H 72 4.264 4.264 4.444 -0.180 25663 4528 1 9 . 1 1 72 72 LYS C C 72 175.440 175.440 176.487 -1.047 25663 4529 1 9 . 1 1 72 72 LYS CA C 72 56.413 56.413 56.165 0.248 25663 4530 1 9 . 1 1 72 72 LYS CB C 72 33.686 33.686 32.513 1.173 25663 4531 1 9 . 1 1 72 72 LYS H H 72 6.946 6.946 8.317 -1.371 25663 4532 1 9 . 1 1 73 73 THR N N 73 110.334 110.334 114.427 -4.093 25663 4533 1 9 . 1 1 73 73 THR HA H 73 4.233 4.233 5.031 -0.798 25663 4534 1 9 . 1 1 73 73 THR C C 73 173.774 173.774 175.243 -1.469 25663 4535 1 9 . 1 1 73 73 THR CA C 73 60.879 60.879 60.999 -0.120 25663 4536 1 9 . 1 1 73 73 THR CB C 73 70.841 70.841 71.123 -0.281 25663 4537 1 9 . 1 1 73 73 THR H H 73 7.911 7.911 8.008 -0.097 25663 4538 1 9 . 1 1 74 74 GLY N N 74 109.589 109.589 108.744 0.845 25663 4539 1 9 . 1 1 74 74 GLY C C 74 172.715 172.715 172.715 0.000 25663 4540 1 9 . 1 1 74 74 GLY CA C 74 43.404 43.404 44.572 -1.168 25663 4541 1 9 . 1 1 74 74 GLY H H 74 7.904 7.904 7.949 -0.045 25663 4542 1 9 . 1 1 75 75 ILE N N 75 120.787 120.787 121.538 -0.751 25663 4543 1 9 . 1 1 75 75 ILE HA H 75 4.221 4.221 4.115 0.106 25663 4544 1 9 . 1 1 75 75 ILE C C 75 176.249 176.249 175.951 0.298 25663 4545 1 9 . 1 1 75 75 ILE CA C 75 59.422 59.422 60.799 -1.377 25663 4546 1 9 . 1 1 75 75 ILE CB C 75 36.008 36.008 38.633 -2.625 25663 4547 1 9 . 1 1 75 75 ILE H H 75 8.265 8.265 8.233 0.032 25663 4548 1 9 . 1 1 76 76 ILE N N 76 134.542 134.542 129.161 5.381 25663 4549 1 9 . 1 1 76 76 ILE HA H 76 3.587 3.587 4.082 -0.495 25663 4550 1 9 . 1 1 76 76 ILE C C 76 173.769 173.769 174.143 -0.374 25663 4551 1 9 . 1 1 76 76 ILE CA C 76 59.599 59.599 58.477 1.121 25663 4552 1 9 . 1 1 76 76 ILE CB C 76 33.139 33.139 34.847 -1.708 25663 4553 1 9 . 1 1 76 76 ILE H H 76 8.660 8.660 8.384 0.276 25663 4554 1 9 . 1 1 77 77 ASP N N 77 126.213 126.213 124.755 1.458 25663 4555 1 9 . 1 1 77 77 ASP HA H 77 4.790 4.790 4.459 0.331 25663 4556 1 9 . 1 1 77 77 ASP C C 77 176.390 176.390 176.229 0.161 25663 4557 1 9 . 1 1 77 77 ASP CA C 77 52.927 52.927 53.619 -0.692 25663 4558 1 9 . 1 1 77 77 ASP CB C 77 44.224 44.224 40.965 3.259 25663 4559 1 9 . 1 1 77 77 ASP H H 77 7.925 7.925 7.785 0.140 25663 4560 1 9 . 1 1 78 78 TYR N N 78 126.424 126.424 124.855 1.569 25663 4561 1 9 . 1 1 78 78 TYR HA H 78 4.780 4.780 4.281 0.499 25663 4562 1 9 . 1 1 78 78 TYR C C 78 177.025 177.025 176.624 0.401 25663 4563 1 9 . 1 1 78 78 TYR CA C 78 54.257 54.257 58.214 -3.957 25663 4564 1 9 . 1 1 78 78 TYR CB C 78 36.513 36.513 38.211 -1.698 25663 4565 1 9 . 1 1 78 78 TYR H H 78 9.313 9.313 7.719 1.594 25663 4566 1 9 . 1 1 79 79 GLY N N 79 110.776 110.776 109.006 1.770 25663 4567 1 9 . 1 1 79 79 GLY C C 79 172.389 172.389 174.684 -2.295 25663 4568 1 9 . 1 1 79 79 GLY CA C 79 44.317 44.317 45.438 -1.121 25663 4569 1 9 . 1 1 79 79 GLY H H 79 8.880 8.880 8.514 0.366 25663 4570 1 9 . 1 1 80 80 ILE N N 80 117.437 117.437 116.931 0.506 25663 4571 1 9 . 1 1 80 80 ILE HA H 80 3.897 3.897 3.858 0.039 25663 4572 1 9 . 1 1 80 80 ILE C C 80 177.495 177.495 175.516 1.979 25663 4573 1 9 . 1 1 80 80 ILE CA C 80 61.293 61.293 62.493 -1.200 25663 4574 1 9 . 1 1 80 80 ILE CB C 80 36.412 36.412 37.482 -1.070 25663 4575 1 9 . 1 1 80 80 ILE H H 80 8.189 8.189 8.393 -0.204 25663 4576 1 9 . 1 1 81 81 ARG N N 81 128.585 128.585 125.702 2.883 25663 4577 1 9 . 1 1 81 81 ARG HA H 81 4.367 4.367 4.697 -0.330 25663 4578 1 9 . 1 1 81 81 ARG CA C 81 52.745 52.745 54.503 -1.758 25663 4579 1 9 . 1 1 81 81 ARG CB C 81 27.133 27.133 31.871 -4.738 25663 4580 1 9 . 1 1 81 81 ARG H H 81 8.367 8.367 8.148 0.219 25663 4581 1 9 . 1 1 82 82 LEU HA H 82 4.145 4.145 4.392 -0.247 25663 4582 1 9 . 1 1 82 82 LEU C C 82 177.546 177.546 176.994 0.552 25663 4583 1 9 . 1 1 82 82 LEU CA C 82 56.857 56.857 56.017 0.840 25663 4584 1 9 . 1 1 82 82 LEU CB C 82 42.266 42.266 42.229 0.037 25663 4585 1 9 . 1 1 82 82 LEU H H 82 8.226 8.226 8.641 -0.415 25663 4586 1 9 . 1 1 83 83 ASN N N 83 115.779 115.779 116.139 -0.360 25663 4587 1 9 . 1 1 83 83 ASN HA H 83 4.913 4.913 4.708 0.205 25663 4588 1 9 . 1 1 83 83 ASN C C 83 175.764 175.764 176.782 -1.018 25663 4589 1 9 . 1 1 83 83 ASN CA C 83 51.627 51.627 52.796 -1.169 25663 4590 1 9 . 1 1 83 83 ASN CB C 83 37.505 37.505 36.873 0.632 25663 4591 1 9 . 1 1 83 83 ASN H H 83 8.628 8.628 8.606 0.022 25663 4592 1 9 . 1 1 84 84 ARG N N 84 121.554 121.554 119.279 2.275 25663 4593 1 9 . 1 1 84 84 ARG HA H 84 4.637 4.637 4.052 0.585 25663 4594 1 9 . 1 1 84 84 ARG C C 84 177.197 177.197 177.063 0.134 25663 4595 1 9 . 1 1 84 84 ARG CA C 84 56.695 56.695 58.977 -2.283 25663 4596 1 9 . 1 1 84 84 ARG CB C 84 29.361 29.361 29.169 0.192 25663 4597 1 9 . 1 1 84 84 ARG H H 84 8.593 8.593 8.169 0.424 25663 4598 1 9 . 1 1 85 85 SER N N 85 116.623 116.623 112.701 3.922 25663 4599 1 9 . 1 1 85 85 SER HA H 85 4.628 4.628 4.579 0.049 25663 4600 1 9 . 1 1 85 85 SER C C 85 174.403 174.403 175.014 -0.611 25663 4601 1 9 . 1 1 85 85 SER CA C 85 58.827 58.827 58.926 -0.099 25663 4602 1 9 . 1 1 85 85 SER CB C 85 62.996 62.996 63.670 -0.674 25663 4603 1 9 . 1 1 85 85 SER H H 85 8.567 8.567 8.176 0.391 25663 4604 1 9 . 1 1 86 86 GLU N N 86 121.171 121.171 121.774 -0.603 25663 4605 1 9 . 1 1 86 86 GLU HA H 86 3.864 3.864 4.393 -0.529 25663 4606 1 9 . 1 1 86 86 GLU C C 86 174.422 174.422 175.571 -1.149 25663 4607 1 9 . 1 1 86 86 GLU CA C 86 57.520 57.520 56.532 0.988 25663 4608 1 9 . 1 1 86 86 GLU CB C 86 31.292 31.292 30.576 0.716 25663 4609 1 9 . 1 1 86 86 GLU H H 86 7.219 7.219 8.280 -1.061 25663 4610 1 9 . 1 1 87 87 ARG N N 87 118.124 118.124 121.125 -3.001 25663 4611 1 9 . 1 1 87 87 ARG HA H 87 4.687 4.687 4.707 -0.020 25663 4612 1 9 . 1 1 87 87 ARG C C 87 173.408 173.408 175.582 -2.174 25663 4613 1 9 . 1 1 87 87 ARG CA C 87 54.387 54.387 56.384 -1.997 25663 4614 1 9 . 1 1 87 87 ARG CB C 87 31.544 31.544 32.102 -0.558 25663 4615 1 9 . 1 1 87 87 ARG H H 87 7.263 7.263 8.526 -1.263 25663 4616 1 9 . 1 1 88 88 TRP N N 88 121.383 121.383 120.223 1.160 25663 4617 1 9 . 1 1 88 88 TRP HA H 88 4.899 4.899 4.747 0.152 25663 4618 1 9 . 1 1 88 88 TRP CA C 88 54.508 54.508 57.043 -2.535 25663 4619 1 9 . 1 1 88 88 TRP CB C 88 33.610 33.610 31.810 1.800 25663 4620 1 9 . 1 1 88 88 TRP H H 88 8.811 8.811 9.279 -0.468 25663 4621 1 9 . 1 1 89 89 ASP N N 89 119.285 119.285 119.255 0.030 25663 4622 1 9 . 1 1 89 89 ASP HA H 89 5.602 5.602 4.708 0.894 25663 4623 1 9 . 1 1 89 89 ASP C C 89 173.648 173.648 174.666 -1.018 25663 4624 1 9 . 1 1 89 89 ASP CA C 89 54.558 54.558 52.737 1.821 25663 4625 1 9 . 1 1 89 89 ASP CB C 89 40.438 40.438 42.410 -1.972 25663 4626 1 9 . 1 1 89 89 ASP H H 89 8.552 8.552 8.470 0.082 25663 4627 1 9 . 1 1 90 90 ALA N N 90 121.014 121.014 118.958 2.056 25663 4628 1 9 . 1 1 90 90 ALA HA H 90 5.095 5.095 4.057 1.038 25663 4629 1 9 . 1 1 90 90 ALA C C 90 175.076 175.076 174.617 0.459 25663 4630 1 9 . 1 1 90 90 ALA CA C 90 52.089 52.089 51.302 0.787 25663 4631 1 9 . 1 1 90 90 ALA CB C 90 23.118 23.118 21.632 1.486 25663 4632 1 9 . 1 1 90 90 ALA H H 90 8.449 8.449 8.047 0.402 25663 4633 1 9 . 1 1 91 91 TYR N N 91 118.243 118.243 115.392 2.851 25663 4634 1 9 . 1 1 91 91 TYR HA H 91 5.072 5.072 4.967 0.105 25663 4635 1 9 . 1 1 91 91 TYR C C 91 174.671 174.671 173.691 0.980 25663 4636 1 9 . 1 1 91 91 TYR CA C 91 58.787 58.787 55.569 3.218 25663 4637 1 9 . 1 1 91 91 TYR CB C 91 40.686 40.686 39.692 0.994 25663 4638 1 9 . 1 1 91 91 TYR H H 91 8.421 8.421 8.045 0.376 25663 4639 1 9 . 1 1 92 92 CYS N N 92 119.931 119.931 118.249 1.682 25663 4640 1 9 . 1 1 92 92 CYS HA H 92 5.263 5.263 5.532 -0.269 25663 4641 1 9 . 1 1 92 92 CYS C C 92 172.698 172.698 173.267 -0.569 25663 4642 1 9 . 1 1 92 92 CYS CA C 92 50.601 50.601 57.734 -7.133 25663 4643 1 9 . 1 1 92 92 CYS CB C 92 37.818 37.818 30.555 7.263 25663 4644 1 9 . 1 1 92 92 CYS H H 92 8.459 8.459 9.062 -0.603 25663 4645 1 9 . 1 1 93 93 TYR N N 93 120.805 120.805 121.410 -0.605 25663 4646 1 9 . 1 1 93 93 TYR HA H 93 4.903 4.903 4.753 0.150 25663 4647 1 9 . 1 1 93 93 TYR C C 93 173.902 173.902 173.698 0.204 25663 4648 1 9 . 1 1 93 93 TYR CA C 93 57.096 57.096 56.212 0.884 25663 4649 1 9 . 1 1 93 93 TYR CB C 93 41.665 41.665 40.725 0.940 25663 4650 1 9 . 1 1 93 93 TYR H H 93 9.410 9.410 8.994 0.416 25663 4651 1 9 . 1 1 94 94 ASN N N 94 124.511 124.511 125.213 -0.702 25663 4652 1 9 . 1 1 94 94 ASN HA H 94 4.774 4.774 4.833 -0.059 25663 4653 1 9 . 1 1 94 94 ASN CA C 94 49.599 49.599 52.298 -2.699 25663 4654 1 9 . 1 1 94 94 ASN CB C 94 41.642 41.642 39.072 2.570 25663 4655 1 9 . 1 1 94 94 ASN H H 94 7.832 7.832 8.577 -0.745 25663 4656 1 9 . 1 1 95 95 PRO HA H 95 4.141 4.141 4.356 -0.215 25663 4657 1 9 . 1 1 95 95 PRO C C 95 176.345 176.345 177.524 -1.179 25663 4658 1 9 . 1 1 95 95 PRO CA C 95 63.800 63.800 64.476 -0.676 25663 4659 1 9 . 1 1 95 95 PRO CB C 95 32.046 32.046 31.736 0.310 25663 4660 1 9 . 1 1 96 96 HIS N N 96 116.009 116.009 120.221 -4.212 25663 4661 1 9 . 1 1 96 96 HIS HA H 96 4.623 4.623 4.373 0.250 25663 4662 1 9 . 1 1 96 96 HIS C C 96 173.999 173.999 175.497 -1.498 25663 4663 1 9 . 1 1 96 96 HIS CA C 96 55.046 55.046 57.897 -2.851 25663 4664 1 9 . 1 1 96 96 HIS CB C 96 28.821 28.821 29.465 -0.644 25663 4665 1 9 . 1 1 96 96 HIS H H 96 8.354 8.354 8.188 0.166 25663 4666 1 9 . 1 1 97 97 ALA N N 97 123.775 123.775 121.539 2.236 25663 4667 1 9 . 1 1 97 97 ALA HA H 97 4.269 4.269 4.073 0.196 25663 4668 1 9 . 1 1 97 97 ALA C C 97 176.350 176.350 176.405 -0.055 25663 4669 1 9 . 1 1 97 97 ALA CA C 97 51.796 51.796 53.240 -1.444 25663 4670 1 9 . 1 1 97 97 ALA CB C 97 19.648 19.648 18.730 0.918 25663 4671 1 9 . 1 1 97 97 ALA H H 97 7.387 7.387 8.329 -0.942 25663 4672 1 10 . 1 1 2 2 VAL N N 2 122.742 122.742 118.520 4.222 25663 4673 1 10 . 1 1 2 2 VAL HA H 2 5.257 5.257 4.298 0.959 25663 4674 1 10 . 1 1 2 2 VAL C C 2 174.533 174.533 175.313 -0.780 25663 4675 1 10 . 1 1 2 2 VAL CA C 2 60.536 60.536 60.242 0.294 25663 4676 1 10 . 1 1 2 2 VAL CB C 2 33.278 33.278 32.112 1.166 25663 4677 1 10 . 1 1 2 2 VAL H H 2 8.486 8.486 7.186 1.300 25663 4678 1 10 . 1 1 3 3 TYR N N 3 120.172 120.172 119.675 0.497 25663 4679 1 10 . 1 1 3 3 TYR HA H 3 4.964 4.964 5.048 -0.084 25663 4680 1 10 . 1 1 3 3 TYR C C 3 173.399 173.399 173.713 -0.314 25663 4681 1 10 . 1 1 3 3 TYR CA C 3 56.073 56.073 56.476 -0.403 25663 4682 1 10 . 1 1 3 3 TYR CB C 3 40.278 40.278 40.467 -0.189 25663 4683 1 10 . 1 1 3 3 TYR H H 3 8.715 8.715 7.885 0.830 25663 4684 1 10 . 1 1 4 4 HIS N N 4 121.237 121.237 119.951 1.286 25663 4685 1 10 . 1 1 4 4 HIS HA H 4 4.929 4.929 5.082 -0.153 25663 4686 1 10 . 1 1 4 4 HIS C C 4 172.844 172.844 175.051 -2.207 25663 4687 1 10 . 1 1 4 4 HIS CA C 4 54.154 54.154 54.990 -0.836 25663 4688 1 10 . 1 1 4 4 HIS CB C 4 30.961 30.961 30.862 0.099 25663 4689 1 10 . 1 1 4 4 HIS H H 4 9.414 9.414 8.395 1.019 25663 4690 1 10 . 1 1 5 5 ARG N N 5 128.770 128.770 124.555 4.215 25663 4691 1 10 . 1 1 5 5 ARG HA H 5 4.619 4.619 4.666 -0.047 25663 4692 1 10 . 1 1 5 5 ARG C C 5 172.967 172.967 175.643 -2.676 25663 4693 1 10 . 1 1 5 5 ARG CA C 5 53.177 53.177 55.418 -2.241 25663 4694 1 10 . 1 1 5 5 ARG CB C 5 33.832 33.832 32.005 1.827 25663 4695 1 10 . 1 1 5 5 ARG H H 5 8.805 8.805 8.622 0.183 25663 4696 1 10 . 1 1 6 6 GLU N N 6 121.037 121.037 121.634 -0.597 25663 4697 1 10 . 1 1 6 6 GLU HA H 6 4.490 4.490 4.559 -0.069 25663 4698 1 10 . 1 1 6 6 GLU C C 6 176.264 176.264 175.787 0.477 25663 4699 1 10 . 1 1 6 6 GLU CA C 6 53.336 53.336 55.786 -2.450 25663 4700 1 10 . 1 1 6 6 GLU CB C 6 33.133 33.133 31.245 1.888 25663 4701 1 10 . 1 1 6 6 GLU H H 6 8.232 8.232 8.625 -0.393 25663 4702 1 10 . 1 1 7 7 ALA N N 7 123.438 123.438 128.065 -4.627 25663 4703 1 10 . 1 1 7 7 ALA HA H 7 4.215 4.215 4.291 -0.076 25663 4704 1 10 . 1 1 7 7 ALA C C 7 178.419 178.419 179.193 -0.774 25663 4705 1 10 . 1 1 7 7 ALA CA C 7 52.182 52.182 52.343 -0.161 25663 4706 1 10 . 1 1 7 7 ALA CB C 7 20.128 20.128 19.622 0.506 25663 4707 1 10 . 1 1 7 7 ALA H H 7 8.756 8.756 8.644 0.112 25663 4708 1 10 . 1 1 8 8 ARG N N 8 122.559 122.559 119.734 2.825 25663 4709 1 10 . 1 1 8 8 ARG HA H 8 3.998 3.998 4.053 -0.055 25663 4710 1 10 . 1 1 8 8 ARG C C 8 177.448 177.448 177.034 0.414 25663 4711 1 10 . 1 1 8 8 ARG CA C 8 58.660 58.660 58.221 0.439 25663 4712 1 10 . 1 1 8 8 ARG CB C 8 29.406 29.406 30.046 -0.640 25663 4713 1 10 . 1 1 8 8 ARG H H 8 8.945 8.945 8.708 0.237 25663 4714 1 10 . 1 1 9 9 SER N N 9 107.309 107.309 112.563 -5.254 25663 4715 1 10 . 1 1 9 9 SER HA H 9 4.261 4.261 4.303 -0.042 25663 4716 1 10 . 1 1 9 9 SER C C 9 174.411 174.411 175.149 -0.738 25663 4717 1 10 . 1 1 9 9 SER CA C 9 58.081 58.081 58.107 -0.026 25663 4718 1 10 . 1 1 9 9 SER CB C 9 62.972 62.972 62.549 0.423 25663 4719 1 10 . 1 1 9 9 SER H H 9 7.445 7.445 7.803 -0.358 25663 4720 1 10 . 1 1 10 10 GLY N N 10 109.574 109.574 109.552 0.022 25663 4721 1 10 . 1 1 10 10 GLY C C 10 171.580 171.580 174.528 -2.948 25663 4722 1 10 . 1 1 10 10 GLY CA C 10 44.036 44.036 45.934 -1.898 25663 4723 1 10 . 1 1 10 10 GLY H H 10 7.379 7.379 7.655 -0.276 25663 4724 1 10 . 1 1 11 11 LYS N N 11 121.683 121.683 119.441 2.242 25663 4725 1 10 . 1 1 11 11 LYS HA H 11 3.993 3.993 3.802 0.191 25663 4726 1 10 . 1 1 11 11 LYS C C 11 175.995 175.995 174.427 1.568 25663 4727 1 10 . 1 1 11 11 LYS CA C 11 57.374 57.374 55.386 1.988 25663 4728 1 10 . 1 1 11 11 LYS CB C 11 34.009 34.009 33.119 0.890 25663 4729 1 10 . 1 1 11 11 LYS H H 11 8.040 8.040 7.424 0.616 25663 4730 1 10 . 1 1 12 12 TYR N N 12 122.956 122.956 116.786 6.170 25663 4731 1 10 . 1 1 12 12 TYR HA H 12 3.990 3.990 4.297 -0.307 25663 4732 1 10 . 1 1 12 12 TYR C C 12 173.905 173.905 175.182 -1.277 25663 4733 1 10 . 1 1 12 12 TYR CA C 12 54.397 54.397 58.120 -3.723 25663 4734 1 10 . 1 1 12 12 TYR CB C 12 32.105 32.105 36.377 -4.272 25663 4735 1 10 . 1 1 12 12 TYR H H 12 9.830 9.830 8.066 1.764 25663 4736 1 10 . 1 1 13 13 LYS N N 13 114.683 114.683 121.023 -6.340 25663 4737 1 10 . 1 1 13 13 LYS HA H 13 4.577 4.577 4.541 0.036 25663 4738 1 10 . 1 1 13 13 LYS C C 13 176.999 176.999 174.609 2.390 25663 4739 1 10 . 1 1 13 13 LYS CA C 13 55.014 55.014 55.794 -0.780 25663 4740 1 10 . 1 1 13 13 LYS CB C 13 35.021 35.021 33.010 2.011 25663 4741 1 10 . 1 1 13 13 LYS H H 13 8.445 8.445 8.523 -0.078 25663 4742 1 10 . 1 1 14 14 LEU N N 14 123.176 123.176 120.965 2.211 25663 4743 1 10 . 1 1 14 14 LEU HA H 14 5.122 5.122 4.992 0.130 25663 4744 1 10 . 1 1 14 14 LEU C C 14 178.304 178.304 176.457 1.847 25663 4745 1 10 . 1 1 14 14 LEU CA C 14 54.800 54.800 53.783 1.017 25663 4746 1 10 . 1 1 14 14 LEU CB C 14 43.528 43.528 45.397 -1.869 25663 4747 1 10 . 1 1 14 14 LEU H H 14 9.479 9.479 8.186 1.293 25663 4748 1 10 . 1 1 15 15 THR N N 15 116.144 116.144 117.754 -1.610 25663 4749 1 10 . 1 1 15 15 THR HA H 15 5.485 5.485 4.612 0.873 25663 4750 1 10 . 1 1 15 15 THR C C 15 174.697 174.697 174.758 -0.061 25663 4751 1 10 . 1 1 15 15 THR CA C 15 61.722 61.722 60.907 0.814 25663 4752 1 10 . 1 1 15 15 THR CB C 15 70.914 70.914 71.578 -0.664 25663 4753 1 10 . 1 1 15 15 THR H H 15 8.792 8.792 8.433 0.359 25663 4754 1 10 . 1 1 16 16 TYR N N 16 120.594 120.594 125.281 -4.687 25663 4755 1 10 . 1 1 16 16 TYR HA H 16 2.375 2.375 3.963 -1.588 25663 4756 1 10 . 1 1 16 16 TYR C C 16 176.133 176.133 176.584 -0.451 25663 4757 1 10 . 1 1 16 16 TYR CA C 16 61.408 61.408 62.793 -1.385 25663 4758 1 10 . 1 1 16 16 TYR CB C 16 36.889 36.889 37.979 -1.090 25663 4759 1 10 . 1 1 16 16 TYR H H 16 7.402 7.402 8.285 -0.883 25663 4760 1 10 . 1 1 17 17 ALA N N 17 118.108 118.108 120.311 -2.203 25663 4761 1 10 . 1 1 17 17 ALA HA H 17 3.509 3.509 3.568 -0.059 25663 4762 1 10 . 1 1 17 17 ALA C C 17 181.575 181.575 179.442 2.133 25663 4763 1 10 . 1 1 17 17 ALA CA C 17 54.732 54.732 54.772 -0.040 25663 4764 1 10 . 1 1 17 17 ALA CB C 17 18.124 18.124 17.950 0.174 25663 4765 1 10 . 1 1 17 17 ALA H H 17 8.545 8.545 8.513 0.032 25663 4766 1 10 . 1 1 18 18 GLU N N 18 117.696 117.696 119.089 -1.393 25663 4767 1 10 . 1 1 18 18 GLU HA H 18 3.879 3.879 3.893 -0.014 25663 4768 1 10 . 1 1 18 18 GLU C C 18 178.624 178.624 178.718 -0.094 25663 4769 1 10 . 1 1 18 18 GLU CA C 18 58.432 58.432 58.998 -0.566 25663 4770 1 10 . 1 1 18 18 GLU CB C 18 30.814 30.814 29.301 1.513 25663 4771 1 10 . 1 1 18 18 GLU H H 18 7.327 7.327 7.767 -0.440 25663 4772 1 10 . 1 1 19 19 ALA N N 19 124.629 124.629 120.780 3.849 25663 4773 1 10 . 1 1 19 19 ALA HA H 19 3.871 3.871 4.084 -0.213 25663 4774 1 10 . 1 1 19 19 ALA C C 19 177.371 177.371 179.144 -1.773 25663 4775 1 10 . 1 1 19 19 ALA CA C 19 54.955 54.955 55.058 -0.103 25663 4776 1 10 . 1 1 19 19 ALA CB C 19 19.893 19.893 18.388 1.505 25663 4777 1 10 . 1 1 19 19 ALA H H 19 8.744 8.744 8.663 0.081 25663 4778 1 10 . 1 1 20 20 LYS N N 20 117.842 117.842 118.023 -0.181 25663 4779 1 10 . 1 1 20 20 LYS HA H 20 3.435 3.435 4.048 -0.613 25663 4780 1 10 . 1 1 20 20 LYS C C 20 178.017 178.017 177.972 0.045 25663 4781 1 10 . 1 1 20 20 LYS CA C 20 60.086 60.086 58.433 1.653 25663 4782 1 10 . 1 1 20 20 LYS CB C 20 33.186 33.186 32.149 1.037 25663 4783 1 10 . 1 1 20 20 LYS H H 20 8.188 8.188 7.314 0.874 25663 4784 1 10 . 1 1 21 21 ALA N N 21 117.564 117.564 122.855 -5.291 25663 4785 1 10 . 1 1 21 21 ALA HA H 21 4.040 4.040 4.102 -0.062 25663 4786 1 10 . 1 1 21 21 ALA C C 21 180.598 180.598 179.432 1.166 25663 4787 1 10 . 1 1 21 21 ALA CA C 21 54.991 54.991 54.808 0.183 25663 4788 1 10 . 1 1 21 21 ALA CB C 21 18.071 18.071 18.910 -0.839 25663 4789 1 10 . 1 1 21 21 ALA H H 21 7.382 7.382 7.651 -0.269 25663 4790 1 10 . 1 1 22 22 VAL N N 22 120.351 120.351 114.561 5.790 25663 4791 1 10 . 1 1 22 22 VAL HA H 22 3.883 3.883 3.969 -0.086 25663 4792 1 10 . 1 1 22 22 VAL C C 22 177.921 177.921 176.571 1.350 25663 4793 1 10 . 1 1 22 22 VAL CA C 22 66.242 66.242 64.142 2.100 25663 4794 1 10 . 1 1 22 22 VAL CB C 22 31.136 31.136 31.868 -0.732 25663 4795 1 10 . 1 1 22 22 VAL H H 22 8.203 8.203 7.650 0.553 25663 4796 1 10 . 1 1 23 23 CYS N N 23 116.368 116.368 117.924 -1.556 25663 4797 1 10 . 1 1 23 23 CYS HA H 23 4.352 4.352 4.572 -0.220 25663 4798 1 10 . 1 1 23 23 CYS C C 23 178.687 178.687 174.157 4.530 25663 4799 1 10 . 1 1 23 23 CYS CA C 23 55.224 55.224 57.927 -2.703 25663 4800 1 10 . 1 1 23 23 CYS CB C 23 33.542 33.542 29.288 4.254 25663 4801 1 10 . 1 1 23 23 CYS H H 23 7.788 7.788 7.922 -0.134 25663 4802 1 10 . 1 1 24 24 GLU N N 24 120.341 120.341 119.721 0.620 25663 4803 1 10 . 1 1 24 24 GLU HA H 24 4.259 4.259 3.840 0.419 25663 4804 1 10 . 1 1 24 24 GLU C C 24 180.516 180.516 176.454 4.062 25663 4805 1 10 . 1 1 24 24 GLU CA C 24 58.412 58.412 58.410 0.002 25663 4806 1 10 . 1 1 24 24 GLU CB C 24 28.855 28.855 29.133 -0.278 25663 4807 1 10 . 1 1 24 24 GLU H H 24 8.196 8.196 8.882 -0.686 25663 4808 1 10 . 1 1 25 25 PHE N N 25 124.937 124.937 118.244 6.693 25663 4809 1 10 . 1 1 25 25 PHE HA H 25 4.267 4.267 4.151 0.116 25663 4810 1 10 . 1 1 25 25 PHE C C 25 177.593 177.593 176.637 0.956 25663 4811 1 10 . 1 1 25 25 PHE CA C 25 60.845 60.845 61.194 -0.349 25663 4812 1 10 . 1 1 25 25 PHE CB C 25 39.035 39.035 39.169 -0.134 25663 4813 1 10 . 1 1 25 25 PHE H H 25 8.946 8.946 8.382 0.564 25663 4814 1 10 . 1 1 26 26 GLU N N 26 114.486 114.486 119.643 -5.157 25663 4815 1 10 . 1 1 26 26 GLU HA H 26 4.090 4.090 4.155 -0.065 25663 4816 1 10 . 1 1 26 26 GLU C C 26 175.712 175.712 177.174 -1.462 25663 4817 1 10 . 1 1 26 26 GLU CA C 26 56.249 56.249 56.938 -0.689 25663 4818 1 10 . 1 1 26 26 GLU CB C 26 29.418 29.418 29.341 0.077 25663 4819 1 10 . 1 1 26 26 GLU H H 26 7.359 7.359 8.627 -1.268 25663 4820 1 10 . 1 1 27 27 GLY N N 27 106.503 106.503 107.019 -0.516 25663 4821 1 10 . 1 1 27 27 GLY C C 27 174.107 174.107 174.242 -0.135 25663 4822 1 10 . 1 1 27 27 GLY CA C 27 45.426 45.426 44.773 0.653 25663 4823 1 10 . 1 1 27 27 GLY H H 27 7.695 7.695 7.709 -0.014 25663 4824 1 10 . 1 1 28 28 GLY N N 28 109.515 109.515 108.206 1.309 25663 4825 1 10 . 1 1 28 28 GLY C C 28 172.079 172.079 173.369 -1.290 25663 4826 1 10 . 1 1 28 28 GLY CA C 28 43.788 43.788 44.856 -1.068 25663 4827 1 10 . 1 1 28 28 GLY H H 28 7.745 7.745 7.637 0.108 25663 4828 1 10 . 1 1 29 29 HIS N N 29 116.220 116.220 115.959 0.261 25663 4829 1 10 . 1 1 29 29 HIS HA H 29 4.865 4.865 4.871 -0.006 25663 4830 1 10 . 1 1 29 29 HIS C C 29 174.118 174.118 174.937 -0.819 25663 4831 1 10 . 1 1 29 29 HIS CA C 29 54.169 54.169 55.754 -1.585 25663 4832 1 10 . 1 1 29 29 HIS CB C 29 33.436 33.436 33.754 -0.318 25663 4833 1 10 . 1 1 29 29 HIS H H 29 8.412 8.412 7.842 0.570 25663 4834 1 10 . 1 1 30 30 LEU N N 30 124.046 124.046 122.057 1.989 25663 4835 1 10 . 1 1 30 30 LEU HA H 30 4.912 4.912 4.370 0.542 25663 4836 1 10 . 1 1 30 30 LEU C C 30 178.158 178.158 177.508 0.650 25663 4837 1 10 . 1 1 30 30 LEU CA C 30 56.817 56.817 55.736 1.081 25663 4838 1 10 . 1 1 30 30 LEU CB C 30 42.534 42.534 42.402 0.132 25663 4839 1 10 . 1 1 30 30 LEU H H 30 9.399 9.399 8.884 0.515 25663 4840 1 10 . 1 1 31 31 ALA N N 31 126.730 126.730 125.049 1.681 25663 4841 1 10 . 1 1 31 31 ALA HA H 31 4.403 4.403 4.108 0.295 25663 4842 1 10 . 1 1 31 31 ALA C C 31 176.879 176.879 176.928 -0.049 25663 4843 1 10 . 1 1 31 31 ALA CA C 31 52.006 52.006 52.971 -0.965 25663 4844 1 10 . 1 1 31 31 ALA CB C 31 19.593 19.593 18.342 1.251 25663 4845 1 10 . 1 1 31 31 ALA H H 31 9.331 9.331 8.441 0.890 25663 4846 1 10 . 1 1 32 32 THR N N 32 111.206 111.206 117.933 -6.727 25663 4847 1 10 . 1 1 32 32 THR HA H 32 4.528 4.528 4.346 0.182 25663 4848 1 10 . 1 1 32 32 THR C C 32 174.899 174.899 175.252 -0.353 25663 4849 1 10 . 1 1 32 32 THR CA C 32 59.818 59.818 60.481 -0.663 25663 4850 1 10 . 1 1 32 32 THR CB C 32 70.949 70.949 71.116 -0.167 25663 4851 1 10 . 1 1 32 32 THR H H 32 8.511 8.511 7.812 0.699 25663 4852 1 10 . 1 1 33 33 TYR N N 33 121.971 121.971 125.835 -3.864 25663 4853 1 10 . 1 1 33 33 TYR HA H 33 3.745 3.745 4.068 -0.323 25663 4854 1 10 . 1 1 33 33 TYR C C 33 176.176 176.176 177.213 -1.037 25663 4855 1 10 . 1 1 33 33 TYR CA C 33 62.320 62.320 62.880 -0.560 25663 4856 1 10 . 1 1 33 33 TYR CB C 33 38.737 38.737 38.641 0.096 25663 4857 1 10 . 1 1 33 33 TYR H H 33 8.623 8.623 9.030 -0.407 25663 4858 1 10 . 1 1 34 34 LYS N N 34 116.509 116.509 117.593 -1.084 25663 4859 1 10 . 1 1 34 34 LYS HA H 34 3.905 3.905 3.976 -0.071 25663 4860 1 10 . 1 1 34 34 LYS C C 34 180.207 180.207 178.799 1.408 25663 4861 1 10 . 1 1 34 34 LYS CA C 34 59.854 59.854 59.843 0.011 25663 4862 1 10 . 1 1 34 34 LYS CB C 34 32.743 32.743 32.019 0.724 25663 4863 1 10 . 1 1 34 34 LYS H H 34 8.284 8.284 7.878 0.406 25663 4864 1 10 . 1 1 35 35 GLN N N 35 119.270 119.270 118.956 0.314 25663 4865 1 10 . 1 1 35 35 GLN HA H 35 3.822 3.822 4.058 -0.236 25663 4866 1 10 . 1 1 35 35 GLN C C 35 179.050 179.050 178.313 0.737 25663 4867 1 10 . 1 1 35 35 GLN CA C 35 58.402 58.402 58.079 0.323 25663 4868 1 10 . 1 1 35 35 GLN CB C 35 26.715 26.715 27.909 -1.194 25663 4869 1 10 . 1 1 35 35 GLN H H 35 7.747 7.747 7.727 0.020 25663 4870 1 10 . 1 1 36 36 LEU N N 36 122.992 122.992 120.893 2.099 25663 4871 1 10 . 1 1 36 36 LEU HA H 36 3.891 3.891 3.681 0.210 25663 4872 1 10 . 1 1 36 36 LEU C C 36 177.812 177.812 178.355 -0.543 25663 4873 1 10 . 1 1 36 36 LEU CA C 36 58.166 58.166 57.823 0.343 25663 4874 1 10 . 1 1 36 36 LEU CB C 36 41.981 41.981 41.721 0.260 25663 4875 1 10 . 1 1 36 36 LEU H H 36 8.473 8.473 8.540 -0.067 25663 4876 1 10 . 1 1 37 37 GLU N N 37 120.512 120.512 119.280 1.232 25663 4877 1 10 . 1 1 37 37 GLU HA H 37 4.244 4.244 3.681 0.563 25663 4878 1 10 . 1 1 37 37 GLU C C 37 177.984 177.984 178.544 -0.560 25663 4879 1 10 . 1 1 37 37 GLU CA C 37 58.018 58.018 59.531 -1.513 25663 4880 1 10 . 1 1 37 37 GLU CB C 37 28.236 28.236 29.385 -1.149 25663 4881 1 10 . 1 1 37 37 GLU H H 37 8.526 8.526 8.363 0.164 25663 4882 1 10 . 1 1 38 38 ALA N N 38 121.256 121.256 120.524 0.732 25663 4883 1 10 . 1 1 38 38 ALA HA H 38 3.995 3.995 4.078 -0.083 25663 4884 1 10 . 1 1 38 38 ALA C C 38 180.513 180.513 178.675 1.838 25663 4885 1 10 . 1 1 38 38 ALA CA C 38 54.968 54.968 54.364 0.604 25663 4886 1 10 . 1 1 38 38 ALA CB C 38 17.792 17.792 18.186 -0.394 25663 4887 1 10 . 1 1 38 38 ALA H H 38 7.806 7.806 7.465 0.341 25663 4888 1 10 . 1 1 39 39 ALA N N 39 120.185 120.185 121.057 -0.872 25663 4889 1 10 . 1 1 39 39 ALA HA H 39 4.164 4.164 4.031 0.133 25663 4890 1 10 . 1 1 39 39 ALA C C 39 180.063 180.063 180.050 0.013 25663 4891 1 10 . 1 1 39 39 ALA CA C 39 54.064 54.064 54.069 -0.005 25663 4892 1 10 . 1 1 39 39 ALA CB C 39 17.883 17.883 18.741 -0.858 25663 4893 1 10 . 1 1 39 39 ALA H H 39 7.495 7.495 7.371 0.124 25663 4894 1 10 . 1 1 40 40 ARG N N 40 124.604 124.604 118.447 6.157 25663 4895 1 10 . 1 1 40 40 ARG HA H 40 4.658 4.658 4.194 0.464 25663 4896 1 10 . 1 1 40 40 ARG C C 40 180.610 180.610 179.125 1.485 25663 4897 1 10 . 1 1 40 40 ARG CA C 40 58.559 58.559 57.987 0.572 25663 4898 1 10 . 1 1 40 40 ARG CB C 40 30.707 30.707 29.469 1.238 25663 4899 1 10 . 1 1 40 40 ARG H H 40 8.789 8.789 8.245 0.544 25663 4900 1 10 . 1 1 41 41 LYS N N 41 117.810 117.810 119.356 -1.546 25663 4901 1 10 . 1 1 41 41 LYS HA H 41 3.925 3.925 4.170 -0.245 25663 4902 1 10 . 1 1 41 41 LYS C C 41 178.134 178.134 177.428 0.706 25663 4903 1 10 . 1 1 41 41 LYS CA C 41 59.409 59.409 58.572 0.837 25663 4904 1 10 . 1 1 41 41 LYS CB C 41 32.786 32.786 32.281 0.505 25663 4905 1 10 . 1 1 41 41 LYS H H 41 8.267 8.267 7.507 0.760 25663 4906 1 10 . 1 1 42 42 ILE N N 42 110.889 110.889 117.471 -6.582 25663 4907 1 10 . 1 1 42 42 ILE HA H 42 4.581 4.581 4.336 0.245 25663 4908 1 10 . 1 1 42 42 ILE C C 42 176.527 176.527 176.836 -0.309 25663 4909 1 10 . 1 1 42 42 ILE CA C 42 60.751 60.751 59.385 1.366 25663 4910 1 10 . 1 1 42 42 ILE CB C 42 37.739 37.739 36.962 0.777 25663 4911 1 10 . 1 1 42 42 ILE H H 42 7.263 7.263 7.945 -0.682 25663 4912 1 10 . 1 1 43 43 GLY N N 43 108.366 108.366 108.073 0.293 25663 4913 1 10 . 1 1 43 43 GLY C C 43 173.880 173.880 174.678 -0.798 25663 4914 1 10 . 1 1 43 43 GLY CA C 43 45.585 45.585 45.281 0.304 25663 4915 1 10 . 1 1 43 43 GLY H H 43 7.816 7.816 7.668 0.148 25663 4916 1 10 . 1 1 44 44 PHE N N 44 125.650 125.650 123.126 2.524 25663 4917 1 10 . 1 1 44 44 PHE HA H 44 4.510 4.510 4.273 0.237 25663 4918 1 10 . 1 1 44 44 PHE C C 44 171.183 171.183 174.837 -3.654 25663 4919 1 10 . 1 1 44 44 PHE CA C 44 59.012 59.012 58.368 0.644 25663 4920 1 10 . 1 1 44 44 PHE CB C 44 39.986 39.986 39.184 0.802 25663 4921 1 10 . 1 1 44 44 PHE H H 44 8.003 8.003 7.512 0.491 25663 4922 1 10 . 1 1 45 45 HIS N N 45 126.999 126.999 126.323 0.676 25663 4923 1 10 . 1 1 45 45 HIS HA H 45 4.728 4.728 4.665 0.062 25663 4924 1 10 . 1 1 45 45 HIS C C 45 175.134 175.134 173.584 1.550 25663 4925 1 10 . 1 1 45 45 HIS CA C 45 55.539 55.539 55.759 -0.220 25663 4926 1 10 . 1 1 45 45 HIS CB C 45 34.586 34.586 30.419 4.167 25663 4927 1 10 . 1 1 45 45 HIS H H 45 7.326 7.326 8.044 -0.718 25663 4928 1 10 . 1 1 46 46 VAL N N 46 126.425 126.425 126.221 0.204 25663 4929 1 10 . 1 1 46 46 VAL HA H 46 3.665 3.665 3.950 -0.285 25663 4930 1 10 . 1 1 46 46 VAL CA C 46 61.647 61.647 60.742 0.905 25663 4931 1 10 . 1 1 46 46 VAL CB C 46 35.141 35.141 36.148 -1.006 25663 4932 1 10 . 1 1 46 46 VAL H H 46 8.147 8.147 8.092 0.055 25663 4933 1 10 . 1 1 47 47 CYS N N 47 127.308 127.308 121.938 5.370 25663 4934 1 10 . 1 1 47 47 CYS HA H 47 4.470 4.470 4.700 -0.231 25663 4935 1 10 . 1 1 47 47 CYS C C 47 172.533 172.533 172.976 -0.443 25663 4936 1 10 . 1 1 47 47 CYS CA C 47 55.259 55.259 58.769 -3.510 25663 4937 1 10 . 1 1 47 47 CYS CB C 47 44.867 44.867 26.858 18.009 25663 4938 1 10 . 1 1 47 47 CYS H H 47 8.675 8.675 8.712 -0.037 25663 4939 1 10 . 1 1 48 48 ALA N N 48 120.376 120.376 122.065 -1.689 25663 4940 1 10 . 1 1 48 48 ALA HA H 48 4.278 4.278 4.371 -0.093 25663 4941 1 10 . 1 1 48 48 ALA C C 48 173.936 173.936 174.390 -0.454 25663 4942 1 10 . 1 1 48 48 ALA CA C 48 51.286 51.286 51.370 -0.084 25663 4943 1 10 . 1 1 48 48 ALA CB C 48 19.831 19.831 22.725 -2.894 25663 4944 1 10 . 1 1 48 48 ALA H H 48 6.500 6.500 7.935 -1.435 25663 4945 1 10 . 1 1 49 49 ALA N N 49 130.715 130.715 123.848 6.867 25663 4946 1 10 . 1 1 49 49 ALA HA H 49 3.834 3.834 5.089 -1.255 25663 4947 1 10 . 1 1 49 49 ALA C C 49 176.061 176.061 176.596 -0.535 25663 4948 1 10 . 1 1 49 49 ALA CA C 49 53.466 53.466 50.472 2.994 25663 4949 1 10 . 1 1 49 49 ALA CB C 49 18.332 18.332 19.918 -1.586 25663 4950 1 10 . 1 1 49 49 ALA H H 49 8.424 8.424 8.103 0.321 25663 4951 1 10 . 1 1 50 50 GLY N N 50 107.085 107.085 110.895 -3.810 25663 4952 1 10 . 1 1 50 50 GLY C C 50 170.793 170.793 172.604 -1.811 25663 4953 1 10 . 1 1 50 50 GLY CA C 50 43.792 43.792 43.792 -0.000 25663 4954 1 10 . 1 1 50 50 GLY H H 50 8.746 8.746 7.859 0.887 25663 4955 1 10 . 1 1 51 51 TRP N N 51 121.565 121.565 122.553 -0.988 25663 4956 1 10 . 1 1 51 51 TRP HA H 51 4.960 4.960 4.720 0.240 25663 4957 1 10 . 1 1 51 51 TRP C C 51 174.095 174.095 176.116 -2.021 25663 4958 1 10 . 1 1 51 51 TRP CA C 51 58.852 58.852 58.014 0.838 25663 4959 1 10 . 1 1 51 51 TRP CB C 51 32.034 32.034 29.212 2.822 25663 4960 1 10 . 1 1 51 51 TRP H H 51 8.596 8.596 8.034 0.562 25663 4961 1 10 . 1 1 52 52 MET N N 52 118.713 118.713 123.722 -5.009 25663 4962 1 10 . 1 1 52 52 MET HA H 52 4.945 4.945 4.936 0.009 25663 4963 1 10 . 1 1 52 52 MET C C 52 174.575 174.575 176.219 -1.644 25663 4964 1 10 . 1 1 52 52 MET CA C 52 54.277 54.277 54.085 0.192 25663 4965 1 10 . 1 1 52 52 MET CB C 52 39.146 39.146 35.279 3.866 25663 4966 1 10 . 1 1 52 52 MET H H 52 9.116 9.116 8.877 0.239 25663 4967 1 10 . 1 1 53 53 ALA N N 53 120.116 120.116 121.269 -1.153 25663 4968 1 10 . 1 1 53 53 ALA HA H 53 4.186 4.186 4.205 -0.019 25663 4969 1 10 . 1 1 53 53 ALA C C 53 178.250 178.250 178.557 -0.307 25663 4970 1 10 . 1 1 53 53 ALA CA C 53 53.791 53.791 54.007 -0.216 25663 4971 1 10 . 1 1 53 53 ALA CB C 53 19.462 19.462 18.932 0.530 25663 4972 1 10 . 1 1 53 53 ALA H H 53 8.517 8.517 8.759 -0.242 25663 4973 1 10 . 1 1 54 54 LYS N N 54 112.641 112.641 121.985 -9.344 25663 4974 1 10 . 1 1 54 54 LYS HA H 54 3.857 3.857 3.888 -0.031 25663 4975 1 10 . 1 1 54 54 LYS C C 54 175.913 175.913 176.087 -0.174 25663 4976 1 10 . 1 1 54 54 LYS CA C 54 57.608 57.608 57.355 0.253 25663 4977 1 10 . 1 1 54 54 LYS CB C 54 29.796 29.796 31.752 -1.956 25663 4978 1 10 . 1 1 54 54 LYS H H 54 8.866 8.866 9.251 -0.385 25663 4979 1 10 . 1 1 55 55 GLY N N 55 104.227 104.227 105.042 -0.815 25663 4980 1 10 . 1 1 55 55 GLY C C 55 173.820 173.820 173.971 -0.151 25663 4981 1 10 . 1 1 55 55 GLY CA C 55 45.933 45.933 45.373 0.560 25663 4982 1 10 . 1 1 55 55 GLY H H 55 8.239 8.239 8.457 -0.218 25663 4983 1 10 . 1 1 56 56 ARG N N 56 122.045 122.045 119.686 2.359 25663 4984 1 10 . 1 1 56 56 ARG HA H 56 4.771 4.771 4.374 0.397 25663 4985 1 10 . 1 1 56 56 ARG C C 56 173.828 173.828 175.036 -1.208 25663 4986 1 10 . 1 1 56 56 ARG CA C 56 55.010 55.010 56.123 -1.113 25663 4987 1 10 . 1 1 56 56 ARG CB C 56 31.939 31.939 31.927 0.012 25663 4988 1 10 . 1 1 56 56 ARG H H 56 6.825 6.825 7.828 -1.003 25663 4989 1 10 . 1 1 57 57 VAL N N 57 122.581 122.581 123.840 -1.259 25663 4990 1 10 . 1 1 57 57 VAL HA H 57 4.632 4.632 4.983 -0.351 25663 4991 1 10 . 1 1 57 57 VAL C C 57 173.775 173.775 174.896 -1.121 25663 4992 1 10 . 1 1 57 57 VAL CA C 57 59.946 59.946 60.355 -0.409 25663 4993 1 10 . 1 1 57 57 VAL CB C 57 35.191 35.191 34.741 0.450 25663 4994 1 10 . 1 1 57 57 VAL H H 57 7.084 7.084 8.154 -1.070 25663 4995 1 10 . 1 1 58 58 GLY N N 58 112.994 112.994 113.360 -0.366 25663 4996 1 10 . 1 1 58 58 GLY C C 58 171.431 171.431 172.368 -0.937 25663 4997 1 10 . 1 1 58 58 GLY CA C 58 46.285 46.285 45.540 0.745 25663 4998 1 10 . 1 1 58 58 GLY H H 58 8.112 8.112 7.706 0.406 25663 4999 1 10 . 1 1 59 59 TYR N N 59 111.540 111.540 118.656 -7.116 25663 5000 1 10 . 1 1 59 59 TYR HA H 59 4.337 4.337 5.235 -0.898 25663 5001 1 10 . 1 1 59 59 TYR CA C 59 55.972 55.972 54.032 1.940 25663 5002 1 10 . 1 1 59 59 TYR CB C 59 34.363 34.363 38.356 -3.993 25663 5003 1 10 . 1 1 59 59 TYR H H 59 7.796 7.796 8.350 -0.554 25663 5004 1 10 . 1 1 60 60 PRO HA H 60 4.497 4.497 4.228 0.269 25663 5005 1 10 . 1 1 60 60 PRO CA C 60 62.231 62.231 62.609 -0.378 25663 5006 1 10 . 1 1 60 60 PRO CB C 60 33.314 33.314 32.321 0.994 25663 5007 1 10 . 1 1 61 61 ILE HA H 61 4.444 4.444 4.481 -0.037 25663 5008 1 10 . 1 1 61 61 ILE CA C 61 56.601 56.601 59.786 -3.185 25663 5009 1 10 . 1 1 61 61 ILE CB C 61 38.417 38.417 41.817 -3.400 25663 5010 1 10 . 1 1 62 62 VAL HA H 62 3.935 3.935 3.762 0.173 25663 5011 1 10 . 1 1 62 62 VAL CA C 62 64.377 64.377 65.877 -1.500 25663 5012 1 10 . 1 1 62 62 VAL CB C 62 34.087 34.087 31.850 2.237 25663 5013 1 10 . 1 1 62 62 VAL H H 62 11.229 11.229 8.999 2.230 25663 5014 1 10 . 1 1 63 63 LYS N N 63 122.578 122.578 114.944 7.634 25663 5015 1 10 . 1 1 63 63 LYS HA H 63 4.753 4.753 4.397 0.356 25663 5016 1 10 . 1 1 63 63 LYS CA C 63 52.473 52.473 56.392 -3.919 25663 5017 1 10 . 1 1 63 63 LYS CB C 63 32.983 32.983 32.056 0.927 25663 5018 1 10 . 1 1 63 63 LYS H H 63 7.501 7.501 8.106 -0.605 25663 5019 1 10 . 1 1 64 64 PRO HA H 64 4.362 4.362 4.411 -0.049 25663 5020 1 10 . 1 1 64 64 PRO CA C 64 63.124 63.124 63.113 0.011 25663 5021 1 10 . 1 1 64 64 PRO CB C 64 32.121 32.121 31.858 0.263 25663 5022 1 10 . 1 1 65 65 GLY CA C 65 45.512 45.512 44.939 0.573 25663 5023 1 10 . 1 1 65 65 GLY H H 65 8.377 8.377 8.263 0.114 25663 5024 1 10 . 1 1 66 66 PRO HA H 66 4.010 4.010 4.351 -0.341 25663 5025 1 10 . 1 1 66 66 PRO C C 66 177.072 177.072 177.125 -0.053 25663 5026 1 10 . 1 1 66 66 PRO CA C 66 64.765 64.765 64.514 0.251 25663 5027 1 10 . 1 1 66 66 PRO CB C 66 32.121 32.121 32.038 0.083 25663 5028 1 10 . 1 1 67 67 ASN N N 67 114.419 114.419 116.971 -2.552 25663 5029 1 10 . 1 1 67 67 ASN HA H 67 4.995 4.995 4.667 0.328 25663 5030 1 10 . 1 1 67 67 ASN C C 67 173.872 173.872 174.819 -0.947 25663 5031 1 10 . 1 1 67 67 ASN CA C 67 52.349 52.349 53.702 -1.353 25663 5032 1 10 . 1 1 67 67 ASN CB C 67 38.955 38.955 38.405 0.550 25663 5033 1 10 . 1 1 67 67 ASN H H 67 8.330 8.330 8.755 -0.425 25663 5034 1 10 . 1 1 68 68 CYS N N 68 118.995 118.995 115.442 3.553 25663 5035 1 10 . 1 1 68 68 CYS HA H 68 5.034 5.034 4.697 0.337 25663 5036 1 10 . 1 1 68 68 CYS CA C 68 54.247 54.247 57.314 -3.067 25663 5037 1 10 . 1 1 68 68 CYS CB C 68 44.260 44.260 30.493 13.767 25663 5038 1 10 . 1 1 68 68 CYS H H 68 7.327 7.327 7.523 -0.196 25663 5039 1 10 . 1 1 70 70 PHE HA H 70 4.305 4.305 4.753 -0.448 25663 5040 1 10 . 1 1 70 70 PHE CA C 70 58.889 58.889 58.062 0.827 25663 5041 1 10 . 1 1 70 70 PHE CB C 70 36.557 36.557 40.501 -3.944 25663 5042 1 10 . 1 1 71 71 GLY N N 71 105.368 105.368 115.179 -9.811 25663 5043 1 10 . 1 1 71 71 GLY CA C 71 46.043 46.043 45.717 0.326 25663 5044 1 10 . 1 1 71 71 GLY H H 71 7.339 7.339 8.843 -1.504 25663 5045 1 10 . 1 1 72 72 LYS N N 72 120.404 120.404 123.886 -3.482 25663 5046 1 10 . 1 1 72 72 LYS HA H 72 4.264 4.264 4.394 -0.130 25663 5047 1 10 . 1 1 72 72 LYS C C 72 175.440 175.440 175.827 -0.387 25663 5048 1 10 . 1 1 72 72 LYS CA C 72 56.413 56.413 56.708 -0.295 25663 5049 1 10 . 1 1 72 72 LYS CB C 72 33.686 33.686 32.772 0.914 25663 5050 1 10 . 1 1 72 72 LYS H H 72 6.946 6.946 8.148 -1.202 25663 5051 1 10 . 1 1 73 73 THR N N 73 110.334 110.334 111.697 -1.363 25663 5052 1 10 . 1 1 73 73 THR HA H 73 4.233 4.233 4.400 -0.167 25663 5053 1 10 . 1 1 73 73 THR C C 73 173.774 173.774 173.963 -0.189 25663 5054 1 10 . 1 1 73 73 THR CA C 73 60.879 60.879 60.732 0.147 25663 5055 1 10 . 1 1 73 73 THR CB C 73 70.841 70.841 71.915 -1.074 25663 5056 1 10 . 1 1 73 73 THR H H 73 7.911 7.911 7.914 -0.003 25663 5057 1 10 . 1 1 74 74 GLY N N 74 109.589 109.589 109.438 0.151 25663 5058 1 10 . 1 1 74 74 GLY C C 74 172.715 172.715 175.257 -2.542 25663 5059 1 10 . 1 1 74 74 GLY CA C 74 43.404 43.404 44.631 -1.227 25663 5060 1 10 . 1 1 74 74 GLY H H 74 7.904 7.904 8.409 -0.505 25663 5061 1 10 . 1 1 75 75 ILE N N 75 120.787 120.787 121.600 -0.813 25663 5062 1 10 . 1 1 75 75 ILE HA H 75 4.221 4.221 3.602 0.619 25663 5063 1 10 . 1 1 75 75 ILE C C 75 176.249 176.249 175.986 0.263 25663 5064 1 10 . 1 1 75 75 ILE CA C 75 59.422 59.422 62.283 -2.861 25663 5065 1 10 . 1 1 75 75 ILE CB C 75 36.008 36.008 38.187 -2.179 25663 5066 1 10 . 1 1 75 75 ILE H H 75 8.265 8.265 8.116 0.149 25663 5067 1 10 . 1 1 76 76 ILE N N 76 134.542 134.542 127.006 7.536 25663 5068 1 10 . 1 1 76 76 ILE HA H 76 3.587 3.587 4.147 -0.560 25663 5069 1 10 . 1 1 76 76 ILE C C 76 173.769 173.769 175.035 -1.266 25663 5070 1 10 . 1 1 76 76 ILE CA C 76 59.599 59.599 59.404 0.195 25663 5071 1 10 . 1 1 76 76 ILE CB C 76 33.139 33.139 37.838 -4.699 25663 5072 1 10 . 1 1 76 76 ILE H H 76 8.660 8.660 7.896 0.764 25663 5073 1 10 . 1 1 77 77 ASP N N 77 126.213 126.213 127.973 -1.760 25663 5074 1 10 . 1 1 77 77 ASP HA H 77 4.790 4.790 4.746 0.044 25663 5075 1 10 . 1 1 77 77 ASP C C 77 176.390 176.390 175.501 0.889 25663 5076 1 10 . 1 1 77 77 ASP CA C 77 52.927 52.927 53.313 -0.386 25663 5077 1 10 . 1 1 77 77 ASP CB C 77 44.224 44.224 40.958 3.266 25663 5078 1 10 . 1 1 77 77 ASP H H 77 7.925 7.925 8.558 -0.633 25663 5079 1 10 . 1 1 78 78 TYR N N 78 126.424 126.424 126.658 -0.234 25663 5080 1 10 . 1 1 78 78 TYR HA H 78 4.780 4.780 4.321 0.459 25663 5081 1 10 . 1 1 78 78 TYR C C 78 177.025 177.025 176.305 0.720 25663 5082 1 10 . 1 1 78 78 TYR CA C 78 54.257 54.257 58.520 -4.263 25663 5083 1 10 . 1 1 78 78 TYR CB C 78 36.513 36.513 39.931 -3.418 25663 5084 1 10 . 1 1 78 78 TYR H H 78 9.313 9.313 8.718 0.595 25663 5085 1 10 . 1 1 79 79 GLY N N 79 110.776 110.776 109.253 1.523 25663 5086 1 10 . 1 1 79 79 GLY C C 79 172.389 172.389 173.266 -0.877 25663 5087 1 10 . 1 1 79 79 GLY CA C 79 44.317 44.317 45.386 -1.069 25663 5088 1 10 . 1 1 79 79 GLY H H 79 8.880 8.880 8.143 0.737 25663 5089 1 10 . 1 1 80 80 ILE N N 80 117.437 117.437 122.751 -5.314 25663 5090 1 10 . 1 1 80 80 ILE HA H 80 3.897 3.897 4.254 -0.357 25663 5091 1 10 . 1 1 80 80 ILE C C 80 177.495 177.495 174.401 3.094 25663 5092 1 10 . 1 1 80 80 ILE CA C 80 61.293 61.293 60.519 0.774 25663 5093 1 10 . 1 1 80 80 ILE CB C 80 36.412 36.412 40.811 -4.399 25663 5094 1 10 . 1 1 80 80 ILE H H 80 8.189 8.189 7.822 0.367 25663 5095 1 10 . 1 1 81 81 ARG N N 81 128.585 128.585 125.319 3.266 25663 5096 1 10 . 1 1 81 81 ARG HA H 81 4.367 4.367 4.719 -0.352 25663 5097 1 10 . 1 1 81 81 ARG CA C 81 52.745 52.745 54.777 -2.032 25663 5098 1 10 . 1 1 81 81 ARG CB C 81 27.133 27.133 30.091 -2.958 25663 5099 1 10 . 1 1 81 81 ARG H H 81 8.367 8.367 8.830 -0.463 25663 5100 1 10 . 1 1 82 82 LEU HA H 82 4.145 4.145 4.605 -0.460 25663 5101 1 10 . 1 1 82 82 LEU C C 82 177.546 177.546 177.168 0.378 25663 5102 1 10 . 1 1 82 82 LEU CA C 82 56.857 56.857 56.116 0.741 25663 5103 1 10 . 1 1 82 82 LEU CB C 82 42.266 42.266 41.952 0.314 25663 5104 1 10 . 1 1 82 82 LEU H H 82 8.226 8.226 8.665 -0.439 25663 5105 1 10 . 1 1 83 83 ASN N N 83 115.779 115.779 117.360 -1.581 25663 5106 1 10 . 1 1 83 83 ASN HA H 83 4.913 4.913 4.730 0.183 25663 5107 1 10 . 1 1 83 83 ASN C C 83 175.764 175.764 176.665 -0.901 25663 5108 1 10 . 1 1 83 83 ASN CA C 83 51.627 51.627 52.921 -1.294 25663 5109 1 10 . 1 1 83 83 ASN CB C 83 37.505 37.505 36.963 0.542 25663 5110 1 10 . 1 1 83 83 ASN H H 83 8.628 8.628 8.612 0.016 25663 5111 1 10 . 1 1 84 84 ARG N N 84 121.554 121.554 118.223 3.331 25663 5112 1 10 . 1 1 84 84 ARG HA H 84 4.637 4.637 3.739 0.898 25663 5113 1 10 . 1 1 84 84 ARG C C 84 177.197 177.197 176.662 0.535 25663 5114 1 10 . 1 1 84 84 ARG CA C 84 56.695 56.695 58.703 -2.008 25663 5115 1 10 . 1 1 84 84 ARG CB C 84 29.361 29.361 28.872 0.489 25663 5116 1 10 . 1 1 84 84 ARG H H 84 8.593 8.593 8.109 0.484 25663 5117 1 10 . 1 1 85 85 SER N N 85 116.623 116.623 113.075 3.548 25663 5118 1 10 . 1 1 85 85 SER HA H 85 4.628 4.628 4.451 0.177 25663 5119 1 10 . 1 1 85 85 SER C C 85 174.403 174.403 175.022 -0.619 25663 5120 1 10 . 1 1 85 85 SER CA C 85 58.827 58.827 59.307 -0.480 25663 5121 1 10 . 1 1 85 85 SER CB C 85 62.996 62.996 63.183 -0.187 25663 5122 1 10 . 1 1 85 85 SER H H 85 8.567 8.567 8.187 0.380 25663 5123 1 10 . 1 1 86 86 GLU N N 86 121.171 121.171 123.183 -2.012 25663 5124 1 10 . 1 1 86 86 GLU HA H 86 3.864 3.864 4.536 -0.672 25663 5125 1 10 . 1 1 86 86 GLU C C 86 174.422 174.422 175.152 -0.730 25663 5126 1 10 . 1 1 86 86 GLU CA C 86 57.520 57.520 55.969 1.551 25663 5127 1 10 . 1 1 86 86 GLU CB C 86 31.292 31.292 31.549 -0.257 25663 5128 1 10 . 1 1 86 86 GLU H H 86 7.219 7.219 8.419 -1.200 25663 5129 1 10 . 1 1 87 87 ARG N N 87 118.124 118.124 119.144 -1.020 25663 5130 1 10 . 1 1 87 87 ARG HA H 87 4.687 4.687 4.735 -0.048 25663 5131 1 10 . 1 1 87 87 ARG C C 87 173.408 173.408 174.621 -1.213 25663 5132 1 10 . 1 1 87 87 ARG CA C 87 54.387 54.387 55.486 -1.099 25663 5133 1 10 . 1 1 87 87 ARG CB C 87 31.544 31.544 33.182 -1.638 25663 5134 1 10 . 1 1 87 87 ARG H H 87 7.263 7.263 8.223 -0.960 25663 5135 1 10 . 1 1 88 88 TRP N N 88 121.383 121.383 121.154 0.229 25663 5136 1 10 . 1 1 88 88 TRP HA H 88 4.899 4.899 4.950 -0.051 25663 5137 1 10 . 1 1 88 88 TRP CA C 88 54.508 54.508 57.407 -2.899 25663 5138 1 10 . 1 1 88 88 TRP CB C 88 33.610 33.610 32.077 1.533 25663 5139 1 10 . 1 1 88 88 TRP H H 88 8.811 8.811 9.481 -0.670 25663 5140 1 10 . 1 1 89 89 ASP N N 89 119.285 119.285 120.098 -0.813 25663 5141 1 10 . 1 1 89 89 ASP HA H 89 5.602 5.602 4.741 0.861 25663 5142 1 10 . 1 1 89 89 ASP C C 89 173.648 173.648 174.893 -1.245 25663 5143 1 10 . 1 1 89 89 ASP CA C 89 54.558 54.558 54.857 -0.299 25663 5144 1 10 . 1 1 89 89 ASP CB C 89 40.438 40.438 42.133 -1.696 25663 5145 1 10 . 1 1 89 89 ASP H H 89 8.552 8.552 8.554 -0.002 25663 5146 1 10 . 1 1 90 90 ALA N N 90 121.014 121.014 118.642 2.372 25663 5147 1 10 . 1 1 90 90 ALA HA H 90 5.095 5.095 4.684 0.411 25663 5148 1 10 . 1 1 90 90 ALA C C 90 175.076 175.076 174.909 0.167 25663 5149 1 10 . 1 1 90 90 ALA CA C 90 52.089 52.089 52.069 0.020 25663 5150 1 10 . 1 1 90 90 ALA CB C 90 23.118 23.118 21.842 1.276 25663 5151 1 10 . 1 1 90 90 ALA H H 90 8.449 8.449 8.104 0.345 25663 5152 1 10 . 1 1 91 91 TYR N N 91 118.243 118.243 118.635 -0.392 25663 5153 1 10 . 1 1 91 91 TYR HA H 91 5.072 5.072 4.928 0.144 25663 5154 1 10 . 1 1 91 91 TYR C C 91 174.671 174.671 174.580 0.091 25663 5155 1 10 . 1 1 91 91 TYR CA C 91 58.787 58.787 57.347 1.440 25663 5156 1 10 . 1 1 91 91 TYR CB C 91 40.686 40.686 42.373 -1.688 25663 5157 1 10 . 1 1 91 91 TYR H H 91 8.421 8.421 8.719 -0.298 25663 5158 1 10 . 1 1 92 92 CYS N N 92 119.931 119.931 119.808 0.123 25663 5159 1 10 . 1 1 92 92 CYS HA H 92 5.263 5.263 4.825 0.438 25663 5160 1 10 . 1 1 92 92 CYS C C 92 172.698 172.698 171.940 0.758 25663 5161 1 10 . 1 1 92 92 CYS CA C 92 50.601 50.601 58.503 -7.902 25663 5162 1 10 . 1 1 92 92 CYS CB C 92 37.818 37.818 30.399 7.419 25663 5163 1 10 . 1 1 92 92 CYS H H 92 8.459 8.459 8.890 -0.431 25663 5164 1 10 . 1 1 93 93 TYR N N 93 120.805 120.805 124.441 -3.636 25663 5165 1 10 . 1 1 93 93 TYR HA H 93 4.903 4.903 4.690 0.213 25663 5166 1 10 . 1 1 93 93 TYR C C 93 173.902 173.902 172.675 1.227 25663 5167 1 10 . 1 1 93 93 TYR CA C 93 57.096 57.096 57.167 -0.071 25663 5168 1 10 . 1 1 93 93 TYR CB C 93 41.665 41.665 41.898 -0.232 25663 5169 1 10 . 1 1 93 93 TYR H H 93 9.410 9.410 8.230 1.180 25663 5170 1 10 . 1 1 94 94 ASN N N 94 124.511 124.511 121.793 2.718 25663 5171 1 10 . 1 1 94 94 ASN HA H 94 4.774 4.774 4.715 0.059 25663 5172 1 10 . 1 1 94 94 ASN CA C 94 49.599 49.599 51.035 -1.436 25663 5173 1 10 . 1 1 94 94 ASN CB C 94 41.642 41.642 41.181 0.461 25663 5174 1 10 . 1 1 94 94 ASN H H 94 7.832 7.832 8.260 -0.428 25663 5175 1 10 . 1 1 95 95 PRO HA H 95 4.141 4.141 4.292 -0.151 25663 5176 1 10 . 1 1 95 95 PRO C C 95 176.345 176.345 175.671 0.674 25663 5177 1 10 . 1 1 95 95 PRO CA C 95 63.800 63.800 63.875 -0.075 25663 5178 1 10 . 1 1 95 95 PRO CB C 95 32.046 32.046 32.236 -0.190 25663 5179 1 10 . 1 1 96 96 HIS N N 96 116.009 116.009 115.254 0.755 25663 5180 1 10 . 1 1 96 96 HIS HA H 96 4.623 4.623 4.516 0.107 25663 5181 1 10 . 1 1 96 96 HIS C C 96 173.999 173.999 173.821 0.178 25663 5182 1 10 . 1 1 96 96 HIS CA C 96 55.046 55.046 54.835 0.211 25663 5183 1 10 . 1 1 96 96 HIS CB C 96 28.821 28.821 31.204 -2.383 25663 5184 1 10 . 1 1 96 96 HIS H H 96 8.354 8.354 7.073 1.281 25663 5185 1 10 . 1 1 97 97 ALA N N 97 123.775 123.775 123.828 -0.053 25663 5186 1 10 . 1 1 97 97 ALA HA H 97 4.269 4.269 4.007 0.262 25663 5187 1 10 . 1 1 97 97 ALA C C 97 176.350 176.350 176.062 0.288 25663 5188 1 10 . 1 1 97 97 ALA CA C 97 51.796 51.796 52.919 -1.123 25663 5189 1 10 . 1 1 97 97 ALA CB C 97 19.648 19.648 19.012 0.636 25663 5190 1 10 . 1 1 97 97 ALA H H 97 7.387 7.387 8.591 -1.204 25663 5191 1 11 . 1 1 2 2 VAL N N 2 122.742 122.742 119.796 2.946 25663 5192 1 11 . 1 1 2 2 VAL HA H 2 5.257 5.257 4.215 1.042 25663 5193 1 11 . 1 1 2 2 VAL C C 2 174.533 174.533 175.276 -0.743 25663 5194 1 11 . 1 1 2 2 VAL CA C 2 60.536 60.536 62.484 -1.948 25663 5195 1 11 . 1 1 2 2 VAL CB C 2 33.278 33.278 32.727 0.551 25663 5196 1 11 . 1 1 2 2 VAL H H 2 8.486 8.486 8.309 0.177 25663 5197 1 11 . 1 1 3 3 TYR N N 3 120.172 120.172 126.954 -6.782 25663 5198 1 11 . 1 1 3 3 TYR HA H 3 4.964 4.964 4.960 0.004 25663 5199 1 11 . 1 1 3 3 TYR C C 3 173.399 173.399 173.955 -0.556 25663 5200 1 11 . 1 1 3 3 TYR CA C 3 56.073 56.073 56.908 -0.835 25663 5201 1 11 . 1 1 3 3 TYR CB C 3 40.278 40.278 42.054 -1.776 25663 5202 1 11 . 1 1 3 3 TYR H H 3 8.715 8.715 8.325 0.390 25663 5203 1 11 . 1 1 4 4 HIS N N 4 121.237 121.237 123.682 -2.445 25663 5204 1 11 . 1 1 4 4 HIS HA H 4 4.929 4.929 4.844 0.085 25663 5205 1 11 . 1 1 4 4 HIS C C 4 172.844 172.844 173.660 -0.816 25663 5206 1 11 . 1 1 4 4 HIS CA C 4 54.154 54.154 55.895 -1.741 25663 5207 1 11 . 1 1 4 4 HIS CB C 4 30.961 30.961 30.672 0.289 25663 5208 1 11 . 1 1 4 4 HIS H H 4 9.414 9.414 8.051 1.363 25663 5209 1 11 . 1 1 5 5 ARG N N 5 128.770 128.770 123.334 5.436 25663 5210 1 11 . 1 1 5 5 ARG HA H 5 4.619 4.619 4.578 0.041 25663 5211 1 11 . 1 1 5 5 ARG C C 5 172.967 172.967 174.278 -1.311 25663 5212 1 11 . 1 1 5 5 ARG CA C 5 53.177 53.177 55.164 -1.987 25663 5213 1 11 . 1 1 5 5 ARG CB C 5 33.832 33.832 32.596 1.236 25663 5214 1 11 . 1 1 5 5 ARG H H 5 8.805 8.805 8.594 0.211 25663 5215 1 11 . 1 1 6 6 GLU N N 6 121.037 121.037 125.143 -4.106 25663 5216 1 11 . 1 1 6 6 GLU HA H 6 4.490 4.490 4.756 -0.266 25663 5217 1 11 . 1 1 6 6 GLU C C 6 176.264 176.264 175.048 1.216 25663 5218 1 11 . 1 1 6 6 GLU CA C 6 53.336 53.336 54.424 -1.088 25663 5219 1 11 . 1 1 6 6 GLU CB C 6 33.133 33.133 32.736 0.397 25663 5220 1 11 . 1 1 6 6 GLU H H 6 8.232 8.232 8.634 -0.402 25663 5221 1 11 . 1 1 7 7 ALA N N 7 123.438 123.438 126.473 -3.035 25663 5222 1 11 . 1 1 7 7 ALA HA H 7 4.215 4.215 4.312 -0.097 25663 5223 1 11 . 1 1 7 7 ALA C C 7 178.419 178.419 178.463 -0.044 25663 5224 1 11 . 1 1 7 7 ALA CA C 7 52.182 52.182 52.615 -0.433 25663 5225 1 11 . 1 1 7 7 ALA CB C 7 20.128 20.128 19.447 0.681 25663 5226 1 11 . 1 1 7 7 ALA H H 7 8.756 8.756 8.688 0.068 25663 5227 1 11 . 1 1 8 8 ARG N N 8 122.559 122.559 123.659 -1.100 25663 5228 1 11 . 1 1 8 8 ARG HA H 8 3.998 3.998 4.128 -0.130 25663 5229 1 11 . 1 1 8 8 ARG C C 8 177.448 177.448 176.680 0.768 25663 5230 1 11 . 1 1 8 8 ARG CA C 8 58.660 58.660 57.893 0.767 25663 5231 1 11 . 1 1 8 8 ARG CB C 8 29.406 29.406 30.453 -1.047 25663 5232 1 11 . 1 1 8 8 ARG H H 8 8.945 8.945 8.803 0.142 25663 5233 1 11 . 1 1 9 9 SER N N 9 107.309 107.309 113.399 -6.090 25663 5234 1 11 . 1 1 9 9 SER HA H 9 4.261 4.261 4.620 -0.359 25663 5235 1 11 . 1 1 9 9 SER C C 9 174.411 174.411 173.643 0.768 25663 5236 1 11 . 1 1 9 9 SER CA C 9 58.081 58.081 57.612 0.469 25663 5237 1 11 . 1 1 9 9 SER CB C 9 62.972 62.972 63.912 -0.940 25663 5238 1 11 . 1 1 9 9 SER H H 9 7.445 7.445 8.153 -0.708 25663 5239 1 11 . 1 1 10 10 GLY N N 10 109.574 109.574 110.888 -1.314 25663 5240 1 11 . 1 1 10 10 GLY C C 10 171.580 171.580 172.550 -0.970 25663 5241 1 11 . 1 1 10 10 GLY CA C 10 44.036 44.036 45.810 -1.774 25663 5242 1 11 . 1 1 10 10 GLY H H 10 7.379 7.379 7.304 0.075 25663 5243 1 11 . 1 1 11 11 LYS N N 11 121.683 121.683 118.189 3.494 25663 5244 1 11 . 1 1 11 11 LYS HA H 11 3.993 3.993 4.085 -0.092 25663 5245 1 11 . 1 1 11 11 LYS C C 11 175.995 175.995 174.206 1.789 25663 5246 1 11 . 1 1 11 11 LYS CA C 11 57.374 57.374 56.550 0.824 25663 5247 1 11 . 1 1 11 11 LYS CB C 11 34.009 34.009 34.216 -0.207 25663 5248 1 11 . 1 1 11 11 LYS H H 11 8.040 8.040 8.068 -0.028 25663 5249 1 11 . 1 1 12 12 TYR N N 12 122.956 122.956 119.126 3.830 25663 5250 1 11 . 1 1 12 12 TYR HA H 12 3.990 3.990 4.643 -0.653 25663 5251 1 11 . 1 1 12 12 TYR C C 12 173.905 173.905 174.618 -0.713 25663 5252 1 11 . 1 1 12 12 TYR CA C 12 54.397 54.397 57.697 -3.300 25663 5253 1 11 . 1 1 12 12 TYR CB C 12 32.105 32.105 39.121 -7.016 25663 5254 1 11 . 1 1 12 12 TYR H H 12 9.830 9.830 7.875 1.955 25663 5255 1 11 . 1 1 13 13 LYS N N 13 114.683 114.683 120.567 -5.884 25663 5256 1 11 . 1 1 13 13 LYS HA H 13 4.577 4.577 4.552 0.025 25663 5257 1 11 . 1 1 13 13 LYS C C 13 176.999 176.999 175.512 1.487 25663 5258 1 11 . 1 1 13 13 LYS CA C 13 55.014 55.014 56.029 -1.015 25663 5259 1 11 . 1 1 13 13 LYS CB C 13 35.021 35.021 33.074 1.948 25663 5260 1 11 . 1 1 13 13 LYS H H 13 8.445 8.445 8.338 0.107 25663 5261 1 11 . 1 1 14 14 LEU N N 14 123.176 123.176 122.553 0.623 25663 5262 1 11 . 1 1 14 14 LEU HA H 14 5.122 5.122 4.703 0.419 25663 5263 1 11 . 1 1 14 14 LEU C C 14 178.304 178.304 176.166 2.138 25663 5264 1 11 . 1 1 14 14 LEU CA C 14 54.800 54.800 54.071 0.729 25663 5265 1 11 . 1 1 14 14 LEU CB C 14 43.528 43.528 42.761 0.767 25663 5266 1 11 . 1 1 14 14 LEU H H 14 9.479 9.479 8.094 1.385 25663 5267 1 11 . 1 1 15 15 THR N N 15 116.144 116.144 113.600 2.544 25663 5268 1 11 . 1 1 15 15 THR HA H 15 5.485 5.485 4.864 0.621 25663 5269 1 11 . 1 1 15 15 THR C C 15 174.697 174.697 175.620 -0.923 25663 5270 1 11 . 1 1 15 15 THR CA C 15 61.722 61.722 58.996 2.726 25663 5271 1 11 . 1 1 15 15 THR CB C 15 70.914 70.914 71.602 -0.688 25663 5272 1 11 . 1 1 15 15 THR H H 15 8.792 8.792 8.110 0.682 25663 5273 1 11 . 1 1 16 16 TYR N N 16 120.594 120.594 119.543 1.051 25663 5274 1 11 . 1 1 16 16 TYR HA H 16 2.375 2.375 4.057 -1.682 25663 5275 1 11 . 1 1 16 16 TYR C C 16 176.133 176.133 177.033 -0.900 25663 5276 1 11 . 1 1 16 16 TYR CA C 16 61.408 61.408 61.996 -0.588 25663 5277 1 11 . 1 1 16 16 TYR CB C 16 36.889 36.889 36.291 0.598 25663 5278 1 11 . 1 1 16 16 TYR H H 16 7.402 7.402 8.710 -1.308 25663 5279 1 11 . 1 1 17 17 ALA N N 17 118.108 118.108 121.926 -3.818 25663 5280 1 11 . 1 1 17 17 ALA HA H 17 3.509 3.509 3.970 -0.461 25663 5281 1 11 . 1 1 17 17 ALA C C 17 181.575 181.575 179.957 1.618 25663 5282 1 11 . 1 1 17 17 ALA CA C 17 54.732 54.732 54.848 -0.116 25663 5283 1 11 . 1 1 17 17 ALA CB C 17 18.124 18.124 17.829 0.295 25663 5284 1 11 . 1 1 17 17 ALA H H 17 8.545 8.545 7.184 1.361 25663 5285 1 11 . 1 1 18 18 GLU N N 18 117.696 117.696 118.476 -0.780 25663 5286 1 11 . 1 1 18 18 GLU HA H 18 3.879 3.879 4.023 -0.144 25663 5287 1 11 . 1 1 18 18 GLU C C 18 178.624 178.624 178.874 -0.250 25663 5288 1 11 . 1 1 18 18 GLU CA C 18 58.432 58.432 59.181 -0.749 25663 5289 1 11 . 1 1 18 18 GLU CB C 18 30.814 30.814 29.222 1.592 25663 5290 1 11 . 1 1 18 18 GLU H H 18 7.327 7.327 7.554 -0.227 25663 5291 1 11 . 1 1 19 19 ALA N N 19 124.629 124.629 122.875 1.754 25663 5292 1 11 . 1 1 19 19 ALA HA H 19 3.871 3.871 4.116 -0.245 25663 5293 1 11 . 1 1 19 19 ALA C C 19 177.371 177.371 179.489 -2.118 25663 5294 1 11 . 1 1 19 19 ALA CA C 19 54.955 54.955 55.262 -0.307 25663 5295 1 11 . 1 1 19 19 ALA CB C 19 19.893 19.893 18.611 1.282 25663 5296 1 11 . 1 1 19 19 ALA H H 19 8.744 8.744 8.565 0.179 25663 5297 1 11 . 1 1 20 20 LYS N N 20 117.842 117.842 117.509 0.333 25663 5298 1 11 . 1 1 20 20 LYS HA H 20 3.435 3.435 4.116 -0.681 25663 5299 1 11 . 1 1 20 20 LYS C C 20 178.017 178.017 178.207 -0.190 25663 5300 1 11 . 1 1 20 20 LYS CA C 20 60.086 60.086 59.172 0.914 25663 5301 1 11 . 1 1 20 20 LYS CB C 20 33.186 33.186 32.584 0.602 25663 5302 1 11 . 1 1 20 20 LYS H H 20 8.188 8.188 8.370 -0.182 25663 5303 1 11 . 1 1 21 21 ALA N N 21 117.564 117.564 121.293 -3.729 25663 5304 1 11 . 1 1 21 21 ALA HA H 21 4.040 4.040 4.182 -0.142 25663 5305 1 11 . 1 1 21 21 ALA C C 21 180.598 180.598 179.192 1.406 25663 5306 1 11 . 1 1 21 21 ALA CA C 21 54.991 54.991 54.744 0.247 25663 5307 1 11 . 1 1 21 21 ALA CB C 21 18.071 18.071 18.783 -0.712 25663 5308 1 11 . 1 1 21 21 ALA H H 21 7.382 7.382 7.439 -0.057 25663 5309 1 11 . 1 1 22 22 VAL N N 22 120.351 120.351 116.435 3.916 25663 5310 1 11 . 1 1 22 22 VAL HA H 22 3.883 3.883 3.954 -0.071 25663 5311 1 11 . 1 1 22 22 VAL C C 22 177.921 177.921 175.547 2.374 25663 5312 1 11 . 1 1 22 22 VAL CA C 22 66.242 66.242 63.579 2.663 25663 5313 1 11 . 1 1 22 22 VAL CB C 22 31.136 31.136 32.599 -1.463 25663 5314 1 11 . 1 1 22 22 VAL H H 22 8.203 8.203 7.508 0.695 25663 5315 1 11 . 1 1 23 23 CYS N N 23 116.368 116.368 115.004 1.364 25663 5316 1 11 . 1 1 23 23 CYS HA H 23 4.352 4.352 5.148 -0.796 25663 5317 1 11 . 1 1 23 23 CYS C C 23 178.687 178.687 175.781 2.906 25663 5318 1 11 . 1 1 23 23 CYS CA C 23 55.224 55.224 57.467 -2.243 25663 5319 1 11 . 1 1 23 23 CYS CB C 23 33.542 33.542 29.336 4.206 25663 5320 1 11 . 1 1 23 23 CYS H H 23 7.788 7.788 7.662 0.126 25663 5321 1 11 . 1 1 24 24 GLU N N 24 120.341 120.341 120.727 -0.386 25663 5322 1 11 . 1 1 24 24 GLU HA H 24 4.259 4.259 3.584 0.675 25663 5323 1 11 . 1 1 24 24 GLU C C 24 180.516 180.516 177.129 3.387 25663 5324 1 11 . 1 1 24 24 GLU CA C 24 58.412 58.412 58.822 -0.410 25663 5325 1 11 . 1 1 24 24 GLU CB C 24 28.855 28.855 29.034 -0.179 25663 5326 1 11 . 1 1 24 24 GLU H H 24 8.196 8.196 9.272 -1.076 25663 5327 1 11 . 1 1 25 25 PHE N N 25 124.937 124.937 121.080 3.857 25663 5328 1 11 . 1 1 25 25 PHE HA H 25 4.267 4.267 4.235 0.032 25663 5329 1 11 . 1 1 25 25 PHE C C 25 177.593 177.593 176.066 1.527 25663 5330 1 11 . 1 1 25 25 PHE CA C 25 60.845 60.845 60.845 -0.000 25663 5331 1 11 . 1 1 25 25 PHE CB C 25 39.035 39.035 39.347 -0.312 25663 5332 1 11 . 1 1 25 25 PHE H H 25 8.946 8.946 8.279 0.667 25663 5333 1 11 . 1 1 26 26 GLU N N 26 114.486 114.486 116.925 -2.439 25663 5334 1 11 . 1 1 26 26 GLU HA H 26 4.090 4.090 4.181 -0.091 25663 5335 1 11 . 1 1 26 26 GLU C C 26 175.712 175.712 177.611 -1.899 25663 5336 1 11 . 1 1 26 26 GLU CA C 26 56.249 56.249 56.181 0.068 25663 5337 1 11 . 1 1 26 26 GLU CB C 26 29.418 29.418 28.829 0.589 25663 5338 1 11 . 1 1 26 26 GLU H H 26 7.359 7.359 8.530 -1.171 25663 5339 1 11 . 1 1 27 27 GLY N N 27 106.503 106.503 108.027 -1.524 25663 5340 1 11 . 1 1 27 27 GLY C C 27 174.107 174.107 173.691 0.416 25663 5341 1 11 . 1 1 27 27 GLY CA C 27 45.426 45.426 45.436 -0.010 25663 5342 1 11 . 1 1 27 27 GLY H H 27 7.695 7.695 7.800 -0.105 25663 5343 1 11 . 1 1 28 28 GLY N N 28 109.515 109.515 108.692 0.823 25663 5344 1 11 . 1 1 28 28 GLY C C 28 172.079 172.079 173.521 -1.442 25663 5345 1 11 . 1 1 28 28 GLY CA C 28 43.788 43.788 43.643 0.145 25663 5346 1 11 . 1 1 28 28 GLY H H 28 7.745 7.745 8.034 -0.289 25663 5347 1 11 . 1 1 29 29 HIS N N 29 116.220 116.220 122.220 -6.000 25663 5348 1 11 . 1 1 29 29 HIS HA H 29 4.865 4.865 4.869 -0.004 25663 5349 1 11 . 1 1 29 29 HIS C C 29 174.118 174.118 175.133 -1.015 25663 5350 1 11 . 1 1 29 29 HIS CA C 29 54.169 54.169 55.429 -1.260 25663 5351 1 11 . 1 1 29 29 HIS CB C 29 33.436 33.436 32.719 0.717 25663 5352 1 11 . 1 1 29 29 HIS H H 29 8.412 8.412 8.293 0.119 25663 5353 1 11 . 1 1 30 30 LEU N N 30 124.046 124.046 121.390 2.656 25663 5354 1 11 . 1 1 30 30 LEU HA H 30 4.912 4.912 4.320 0.592 25663 5355 1 11 . 1 1 30 30 LEU C C 30 178.158 178.158 177.691 0.467 25663 5356 1 11 . 1 1 30 30 LEU CA C 30 56.817 56.817 55.032 1.785 25663 5357 1 11 . 1 1 30 30 LEU CB C 30 42.534 42.534 42.675 -0.141 25663 5358 1 11 . 1 1 30 30 LEU H H 30 9.399 9.399 8.510 0.889 25663 5359 1 11 . 1 1 31 31 ALA N N 31 126.730 126.730 125.309 1.421 25663 5360 1 11 . 1 1 31 31 ALA HA H 31 4.403 4.403 4.290 0.113 25663 5361 1 11 . 1 1 31 31 ALA C C 31 176.879 176.879 177.079 -0.200 25663 5362 1 11 . 1 1 31 31 ALA CA C 31 52.006 52.006 52.615 -0.609 25663 5363 1 11 . 1 1 31 31 ALA CB C 31 19.593 19.593 19.578 0.015 25663 5364 1 11 . 1 1 31 31 ALA H H 31 9.331 9.331 8.653 0.678 25663 5365 1 11 . 1 1 32 32 THR N N 32 111.206 111.206 114.690 -3.484 25663 5366 1 11 . 1 1 32 32 THR HA H 32 4.528 4.528 4.661 -0.133 25663 5367 1 11 . 1 1 32 32 THR C C 32 174.899 174.899 175.067 -0.168 25663 5368 1 11 . 1 1 32 32 THR CA C 32 59.818 59.818 59.003 0.815 25663 5369 1 11 . 1 1 32 32 THR CB C 32 70.949 70.949 72.286 -1.337 25663 5370 1 11 . 1 1 32 32 THR H H 32 8.511 8.511 7.673 0.838 25663 5371 1 11 . 1 1 33 33 TYR N N 33 121.971 121.971 124.158 -2.187 25663 5372 1 11 . 1 1 33 33 TYR HA H 33 3.745 3.745 4.126 -0.381 25663 5373 1 11 . 1 1 33 33 TYR C C 33 176.176 176.176 176.876 -0.700 25663 5374 1 11 . 1 1 33 33 TYR CA C 33 62.320 62.320 62.130 0.190 25663 5375 1 11 . 1 1 33 33 TYR CB C 33 38.737 38.737 38.526 0.211 25663 5376 1 11 . 1 1 33 33 TYR H H 33 8.623 8.623 9.104 -0.481 25663 5377 1 11 . 1 1 34 34 LYS N N 34 116.509 116.509 118.648 -2.139 25663 5378 1 11 . 1 1 34 34 LYS HA H 34 3.905 3.905 3.806 0.099 25663 5379 1 11 . 1 1 34 34 LYS C C 34 180.207 180.207 178.910 1.297 25663 5380 1 11 . 1 1 34 34 LYS CA C 34 59.854 59.854 59.437 0.417 25663 5381 1 11 . 1 1 34 34 LYS CB C 34 32.743 32.743 32.147 0.596 25663 5382 1 11 . 1 1 34 34 LYS H H 34 8.284 8.284 7.663 0.621 25663 5383 1 11 . 1 1 35 35 GLN N N 35 119.270 119.270 118.835 0.435 25663 5384 1 11 . 1 1 35 35 GLN HA H 35 3.822 3.822 4.005 -0.183 25663 5385 1 11 . 1 1 35 35 GLN C C 35 179.050 179.050 178.684 0.366 25663 5386 1 11 . 1 1 35 35 GLN CA C 35 58.402 58.402 58.486 -0.084 25663 5387 1 11 . 1 1 35 35 GLN CB C 35 26.715 26.715 28.856 -2.141 25663 5388 1 11 . 1 1 35 35 GLN H H 35 7.747 7.747 7.547 0.200 25663 5389 1 11 . 1 1 36 36 LEU N N 36 122.992 122.992 119.897 3.095 25663 5390 1 11 . 1 1 36 36 LEU HA H 36 3.891 3.891 3.588 0.303 25663 5391 1 11 . 1 1 36 36 LEU C C 36 177.812 177.812 178.579 -0.767 25663 5392 1 11 . 1 1 36 36 LEU CA C 36 58.166 58.166 57.503 0.663 25663 5393 1 11 . 1 1 36 36 LEU CB C 36 41.981 41.981 41.547 0.434 25663 5394 1 11 . 1 1 36 36 LEU H H 36 8.473 8.473 8.600 -0.127 25663 5395 1 11 . 1 1 37 37 GLU N N 37 120.512 120.512 119.222 1.290 25663 5396 1 11 . 1 1 37 37 GLU HA H 37 4.244 4.244 3.766 0.478 25663 5397 1 11 . 1 1 37 37 GLU C C 37 177.984 177.984 177.982 0.002 25663 5398 1 11 . 1 1 37 37 GLU CA C 37 58.018 58.018 59.148 -1.131 25663 5399 1 11 . 1 1 37 37 GLU CB C 37 28.236 28.236 28.985 -0.749 25663 5400 1 11 . 1 1 37 37 GLU H H 37 8.526 8.526 7.636 0.890 25663 5401 1 11 . 1 1 38 38 ALA N N 38 121.256 121.256 119.576 1.680 25663 5402 1 11 . 1 1 38 38 ALA HA H 38 3.995 3.995 4.252 -0.257 25663 5403 1 11 . 1 1 38 38 ALA C C 38 180.513 180.513 179.133 1.380 25663 5404 1 11 . 1 1 38 38 ALA CA C 38 54.968 54.968 53.954 1.014 25663 5405 1 11 . 1 1 38 38 ALA CB C 38 17.792 17.792 18.050 -0.258 25663 5406 1 11 . 1 1 38 38 ALA H H 38 7.806 7.806 7.312 0.494 25663 5407 1 11 . 1 1 39 39 ALA N N 39 120.185 120.185 120.844 -0.659 25663 5408 1 11 . 1 1 39 39 ALA HA H 39 4.164 4.164 4.172 -0.008 25663 5409 1 11 . 1 1 39 39 ALA C C 39 180.063 180.063 179.313 0.750 25663 5410 1 11 . 1 1 39 39 ALA CA C 39 54.064 54.064 54.188 -0.124 25663 5411 1 11 . 1 1 39 39 ALA CB C 39 17.883 17.883 18.319 -0.436 25663 5412 1 11 . 1 1 39 39 ALA H H 39 7.495 7.495 7.458 0.037 25663 5413 1 11 . 1 1 40 40 ARG N N 40 124.604 124.604 117.817 6.787 25663 5414 1 11 . 1 1 40 40 ARG HA H 40 4.658 4.658 4.211 0.447 25663 5415 1 11 . 1 1 40 40 ARG C C 40 180.610 180.610 178.956 1.654 25663 5416 1 11 . 1 1 40 40 ARG CA C 40 58.559 58.559 57.750 0.809 25663 5417 1 11 . 1 1 40 40 ARG CB C 40 30.707 30.707 29.645 1.062 25663 5418 1 11 . 1 1 40 40 ARG H H 40 8.789 8.789 7.770 1.019 25663 5419 1 11 . 1 1 41 41 LYS N N 41 117.810 117.810 119.080 -1.270 25663 5420 1 11 . 1 1 41 41 LYS HA H 41 3.925 3.925 4.255 -0.330 25663 5421 1 11 . 1 1 41 41 LYS C C 41 178.134 178.134 176.995 1.139 25663 5422 1 11 . 1 1 41 41 LYS CA C 41 59.409 59.409 58.436 0.973 25663 5423 1 11 . 1 1 41 41 LYS CB C 41 32.786 32.786 31.640 1.146 25663 5424 1 11 . 1 1 41 41 LYS H H 41 8.267 8.267 7.699 0.568 25663 5425 1 11 . 1 1 42 42 ILE N N 42 110.889 110.889 118.289 -7.400 25663 5426 1 11 . 1 1 42 42 ILE HA H 42 4.581 4.581 4.286 0.295 25663 5427 1 11 . 1 1 42 42 ILE C C 42 176.527 176.527 176.308 0.219 25663 5428 1 11 . 1 1 42 42 ILE CA C 42 60.751 60.751 59.797 0.953 25663 5429 1 11 . 1 1 42 42 ILE CB C 42 37.739 37.739 36.975 0.764 25663 5430 1 11 . 1 1 42 42 ILE H H 42 7.263 7.263 7.557 -0.294 25663 5431 1 11 . 1 1 43 43 GLY N N 43 108.366 108.366 107.407 0.959 25663 5432 1 11 . 1 1 43 43 GLY C C 43 173.880 173.880 174.390 -0.510 25663 5433 1 11 . 1 1 43 43 GLY CA C 43 45.585 45.585 44.967 0.618 25663 5434 1 11 . 1 1 43 43 GLY H H 43 7.816 7.816 7.516 0.300 25663 5435 1 11 . 1 1 44 44 PHE N N 44 125.650 125.650 122.419 3.231 25663 5436 1 11 . 1 1 44 44 PHE HA H 44 4.510 4.510 4.326 0.184 25663 5437 1 11 . 1 1 44 44 PHE C C 44 171.183 171.183 174.395 -3.212 25663 5438 1 11 . 1 1 44 44 PHE CA C 44 59.012 59.012 59.246 -0.234 25663 5439 1 11 . 1 1 44 44 PHE CB C 44 39.986 39.986 39.858 0.127 25663 5440 1 11 . 1 1 44 44 PHE H H 44 8.003 8.003 7.660 0.343 25663 5441 1 11 . 1 1 45 45 HIS N N 45 126.999 126.999 127.450 -0.451 25663 5442 1 11 . 1 1 45 45 HIS HA H 45 4.728 4.728 4.642 0.086 25663 5443 1 11 . 1 1 45 45 HIS C C 45 175.134 175.134 173.186 1.948 25663 5444 1 11 . 1 1 45 45 HIS CA C 45 55.539 55.539 55.427 0.112 25663 5445 1 11 . 1 1 45 45 HIS CB C 45 34.586 34.586 31.051 3.535 25663 5446 1 11 . 1 1 45 45 HIS H H 45 7.326 7.326 7.895 -0.569 25663 5447 1 11 . 1 1 46 46 VAL N N 46 126.425 126.425 122.114 4.311 25663 5448 1 11 . 1 1 46 46 VAL HA H 46 3.665 3.665 4.010 -0.345 25663 5449 1 11 . 1 1 46 46 VAL CA C 46 61.647 61.647 60.919 0.729 25663 5450 1 11 . 1 1 46 46 VAL CB C 46 35.141 35.141 34.092 1.049 25663 5451 1 11 . 1 1 46 46 VAL H H 46 8.147 8.147 7.724 0.423 25663 5452 1 11 . 1 1 47 47 CYS N N 47 127.308 127.308 127.958 -0.650 25663 5453 1 11 . 1 1 47 47 CYS HA H 47 4.470 4.470 4.726 -0.256 25663 5454 1 11 . 1 1 47 47 CYS C C 47 172.533 172.533 174.529 -1.996 25663 5455 1 11 . 1 1 47 47 CYS CA C 47 55.259 55.259 58.224 -2.965 25663 5456 1 11 . 1 1 47 47 CYS CB C 47 44.867 44.867 24.581 20.286 25663 5457 1 11 . 1 1 47 47 CYS H H 47 8.675 8.675 8.647 0.028 25663 5458 1 11 . 1 1 48 48 ALA N N 48 120.376 120.376 129.696 -9.320 25663 5459 1 11 . 1 1 48 48 ALA HA H 48 4.278 4.278 4.647 -0.369 25663 5460 1 11 . 1 1 48 48 ALA C C 48 173.936 173.936 175.920 -1.984 25663 5461 1 11 . 1 1 48 48 ALA CA C 48 51.286 51.286 51.719 -0.434 25663 5462 1 11 . 1 1 48 48 ALA CB C 48 19.831 19.831 20.689 -0.858 25663 5463 1 11 . 1 1 48 48 ALA H H 48 6.500 6.500 7.631 -1.131 25663 5464 1 11 . 1 1 49 49 ALA N N 49 130.715 130.715 126.467 4.248 25663 5465 1 11 . 1 1 49 49 ALA HA H 49 3.834 3.834 4.525 -0.691 25663 5466 1 11 . 1 1 49 49 ALA C C 49 176.061 176.061 177.042 -0.981 25663 5467 1 11 . 1 1 49 49 ALA CA C 49 53.466 53.466 52.234 1.232 25663 5468 1 11 . 1 1 49 49 ALA CB C 49 18.332 18.332 18.806 -0.474 25663 5469 1 11 . 1 1 49 49 ALA H H 49 8.424 8.424 8.355 0.069 25663 5470 1 11 . 1 1 50 50 GLY N N 50 107.085 107.085 110.977 -3.892 25663 5471 1 11 . 1 1 50 50 GLY C C 50 170.793 170.793 172.943 -2.150 25663 5472 1 11 . 1 1 50 50 GLY CA C 50 43.792 43.792 43.758 0.034 25663 5473 1 11 . 1 1 50 50 GLY H H 50 8.746 8.746 7.851 0.895 25663 5474 1 11 . 1 1 51 51 TRP N N 51 121.565 121.565 122.863 -1.298 25663 5475 1 11 . 1 1 51 51 TRP HA H 51 4.960 4.960 4.622 0.338 25663 5476 1 11 . 1 1 51 51 TRP C C 51 174.095 174.095 175.795 -1.700 25663 5477 1 11 . 1 1 51 51 TRP CA C 51 58.852 58.852 58.539 0.313 25663 5478 1 11 . 1 1 51 51 TRP CB C 51 32.034 32.034 30.821 1.213 25663 5479 1 11 . 1 1 51 51 TRP H H 51 8.596 8.596 7.935 0.661 25663 5480 1 11 . 1 1 52 52 MET N N 52 118.713 118.713 113.992 4.721 25663 5481 1 11 . 1 1 52 52 MET HA H 52 4.945 4.945 5.037 -0.092 25663 5482 1 11 . 1 1 52 52 MET C C 52 174.575 174.575 174.633 -0.058 25663 5483 1 11 . 1 1 52 52 MET CA C 52 54.277 54.277 53.783 0.494 25663 5484 1 11 . 1 1 52 52 MET CB C 52 39.146 39.146 35.588 3.558 25663 5485 1 11 . 1 1 52 52 MET H H 52 9.116 9.116 8.548 0.568 25663 5486 1 11 . 1 1 53 53 ALA N N 53 120.116 120.116 121.639 -1.523 25663 5487 1 11 . 1 1 53 53 ALA HA H 53 4.186 4.186 4.088 0.098 25663 5488 1 11 . 1 1 53 53 ALA C C 53 178.250 178.250 177.797 0.453 25663 5489 1 11 . 1 1 53 53 ALA CA C 53 53.791 53.791 53.879 -0.088 25663 5490 1 11 . 1 1 53 53 ALA CB C 53 19.462 19.462 18.337 1.125 25663 5491 1 11 . 1 1 53 53 ALA H H 53 8.517 8.517 8.410 0.107 25663 5492 1 11 . 1 1 54 54 LYS N N 54 112.641 112.641 120.119 -7.478 25663 5493 1 11 . 1 1 54 54 LYS HA H 54 3.857 3.857 3.841 0.016 25663 5494 1 11 . 1 1 54 54 LYS C C 54 175.913 175.913 176.336 -0.423 25663 5495 1 11 . 1 1 54 54 LYS CA C 54 57.608 57.608 56.919 0.689 25663 5496 1 11 . 1 1 54 54 LYS CB C 54 29.796 29.796 30.422 -0.626 25663 5497 1 11 . 1 1 54 54 LYS H H 54 8.866 8.866 8.955 -0.089 25663 5498 1 11 . 1 1 55 55 GLY N N 55 104.227 104.227 104.888 -0.661 25663 5499 1 11 . 1 1 55 55 GLY C C 55 173.820 173.820 175.130 -1.310 25663 5500 1 11 . 1 1 55 55 GLY CA C 55 45.933 45.933 45.848 0.085 25663 5501 1 11 . 1 1 55 55 GLY H H 55 8.239 8.239 8.796 -0.557 25663 5502 1 11 . 1 1 56 56 ARG N N 56 122.045 122.045 121.177 0.868 25663 5503 1 11 . 1 1 56 56 ARG HA H 56 4.771 4.771 4.346 0.425 25663 5504 1 11 . 1 1 56 56 ARG C C 56 173.828 173.828 176.076 -2.248 25663 5505 1 11 . 1 1 56 56 ARG CA C 56 55.010 55.010 55.580 -0.570 25663 5506 1 11 . 1 1 56 56 ARG CB C 56 31.939 31.939 29.197 2.742 25663 5507 1 11 . 1 1 56 56 ARG H H 56 6.825 6.825 7.934 -1.109 25663 5508 1 11 . 1 1 57 57 VAL N N 57 122.581 122.581 121.620 0.961 25663 5509 1 11 . 1 1 57 57 VAL HA H 57 4.632 4.632 4.107 0.525 25663 5510 1 11 . 1 1 57 57 VAL C C 57 173.775 173.775 175.316 -1.541 25663 5511 1 11 . 1 1 57 57 VAL CA C 57 59.946 59.946 63.927 -3.981 25663 5512 1 11 . 1 1 57 57 VAL CB C 57 35.191 35.191 32.658 2.533 25663 5513 1 11 . 1 1 57 57 VAL H H 57 7.084 7.084 8.344 -1.260 25663 5514 1 11 . 1 1 58 58 GLY N N 58 112.994 112.994 112.878 0.116 25663 5515 1 11 . 1 1 58 58 GLY C C 58 171.431 171.431 172.249 -0.818 25663 5516 1 11 . 1 1 58 58 GLY CA C 58 46.285 46.285 45.773 0.512 25663 5517 1 11 . 1 1 58 58 GLY H H 58 8.112 8.112 7.706 0.406 25663 5518 1 11 . 1 1 59 59 TYR N N 59 111.540 111.540 116.477 -4.937 25663 5519 1 11 . 1 1 59 59 TYR HA H 59 4.337 4.337 5.310 -0.973 25663 5520 1 11 . 1 1 59 59 TYR CA C 59 55.972 55.972 54.672 1.300 25663 5521 1 11 . 1 1 59 59 TYR CB C 59 34.363 34.363 38.697 -4.334 25663 5522 1 11 . 1 1 59 59 TYR H H 59 7.796 7.796 8.584 -0.788 25663 5523 1 11 . 1 1 60 60 PRO HA H 60 4.497 4.497 4.435 0.062 25663 5524 1 11 . 1 1 60 60 PRO CA C 60 62.231 62.231 63.142 -0.911 25663 5525 1 11 . 1 1 60 60 PRO CB C 60 33.314 33.314 32.512 0.802 25663 5526 1 11 . 1 1 61 61 ILE HA H 61 4.444 4.444 4.608 -0.164 25663 5527 1 11 . 1 1 61 61 ILE CA C 61 56.601 56.601 60.520 -3.919 25663 5528 1 11 . 1 1 61 61 ILE CB C 61 38.417 38.417 38.582 -0.165 25663 5529 1 11 . 1 1 62 62 VAL HA H 62 3.935 3.935 3.846 0.089 25663 5530 1 11 . 1 1 62 62 VAL CA C 62 64.377 64.377 64.294 0.083 25663 5531 1 11 . 1 1 62 62 VAL CB C 62 34.087 34.087 32.124 1.963 25663 5532 1 11 . 1 1 62 62 VAL H H 62 11.229 11.229 7.827 3.402 25663 5533 1 11 . 1 1 63 63 LYS N N 63 122.578 122.578 117.277 5.301 25663 5534 1 11 . 1 1 63 63 LYS HA H 63 4.753 4.753 4.561 0.192 25663 5535 1 11 . 1 1 63 63 LYS CA C 63 52.473 52.473 52.736 -0.264 25663 5536 1 11 . 1 1 63 63 LYS CB C 63 32.983 32.983 34.557 -1.575 25663 5537 1 11 . 1 1 63 63 LYS H H 63 7.501 7.501 7.321 0.180 25663 5538 1 11 . 1 1 64 64 PRO HA H 64 4.362 4.362 4.359 0.003 25663 5539 1 11 . 1 1 64 64 PRO CA C 64 63.124 63.124 63.242 -0.118 25663 5540 1 11 . 1 1 64 64 PRO CB C 64 32.121 32.121 32.325 -0.205 25663 5541 1 11 . 1 1 65 65 GLY CA C 65 45.512 45.512 44.014 1.498 25663 5542 1 11 . 1 1 65 65 GLY H H 65 8.377 8.377 7.717 0.660 25663 5543 1 11 . 1 1 66 66 PRO HA H 66 4.010 4.010 4.422 -0.412 25663 5544 1 11 . 1 1 66 66 PRO C C 66 177.072 177.072 177.622 -0.550 25663 5545 1 11 . 1 1 66 66 PRO CA C 66 64.765 64.765 64.314 0.451 25663 5546 1 11 . 1 1 66 66 PRO CB C 66 32.121 32.121 32.256 -0.135 25663 5547 1 11 . 1 1 67 67 ASN N N 67 114.419 114.419 118.389 -3.970 25663 5548 1 11 . 1 1 67 67 ASN HA H 67 4.995 4.995 4.615 0.380 25663 5549 1 11 . 1 1 67 67 ASN C C 67 173.872 173.872 174.903 -1.031 25663 5550 1 11 . 1 1 67 67 ASN CA C 67 52.349 52.349 53.253 -0.904 25663 5551 1 11 . 1 1 67 67 ASN CB C 67 38.955 38.955 37.974 0.981 25663 5552 1 11 . 1 1 67 67 ASN H H 67 8.330 8.330 8.594 -0.264 25663 5553 1 11 . 1 1 68 68 CYS N N 68 118.995 118.995 114.022 4.973 25663 5554 1 11 . 1 1 68 68 CYS HA H 68 5.034 5.034 4.562 0.472 25663 5555 1 11 . 1 1 68 68 CYS CA C 68 54.247 54.247 57.532 -3.285 25663 5556 1 11 . 1 1 68 68 CYS CB C 68 44.260 44.260 30.049 14.211 25663 5557 1 11 . 1 1 68 68 CYS H H 68 7.327 7.327 7.451 -0.124 25663 5558 1 11 . 1 1 70 70 PHE HA H 70 4.305 4.305 4.297 0.008 25663 5559 1 11 . 1 1 70 70 PHE CA C 70 58.889 58.889 58.383 0.506 25663 5560 1 11 . 1 1 70 70 PHE CB C 70 36.557 36.557 38.182 -1.625 25663 5561 1 11 . 1 1 71 71 GLY N N 71 105.368 105.368 109.345 -3.977 25663 5562 1 11 . 1 1 71 71 GLY CA C 71 46.043 46.043 45.095 0.948 25663 5563 1 11 . 1 1 71 71 GLY H H 71 7.339 7.339 6.792 0.547 25663 5564 1 11 . 1 1 72 72 LYS N N 72 120.404 120.404 119.535 0.869 25663 5565 1 11 . 1 1 72 72 LYS HA H 72 4.264 4.264 4.094 0.170 25663 5566 1 11 . 1 1 72 72 LYS C C 72 175.440 175.440 175.010 0.430 25663 5567 1 11 . 1 1 72 72 LYS CA C 72 56.413 56.413 57.782 -1.369 25663 5568 1 11 . 1 1 72 72 LYS CB C 72 33.686 33.686 32.768 0.918 25663 5569 1 11 . 1 1 72 72 LYS H H 72 6.946 6.946 8.669 -1.723 25663 5570 1 11 . 1 1 73 73 THR N N 73 110.334 110.334 109.604 0.730 25663 5571 1 11 . 1 1 73 73 THR HA H 73 4.233 4.233 4.501 -0.268 25663 5572 1 11 . 1 1 73 73 THR C C 73 173.774 173.774 174.635 -0.861 25663 5573 1 11 . 1 1 73 73 THR CA C 73 60.879 60.879 60.324 0.555 25663 5574 1 11 . 1 1 73 73 THR CB C 73 70.841 70.841 71.767 -0.926 25663 5575 1 11 . 1 1 73 73 THR H H 73 7.911 7.911 7.931 -0.020 25663 5576 1 11 . 1 1 74 74 GLY N N 74 109.589 109.589 111.417 -1.828 25663 5577 1 11 . 1 1 74 74 GLY C C 74 172.715 172.715 174.513 -1.798 25663 5578 1 11 . 1 1 74 74 GLY CA C 74 43.404 43.404 45.101 -1.697 25663 5579 1 11 . 1 1 74 74 GLY H H 74 7.904 7.904 8.543 -0.639 25663 5580 1 11 . 1 1 75 75 ILE N N 75 120.787 120.787 118.622 2.165 25663 5581 1 11 . 1 1 75 75 ILE HA H 75 4.221 4.221 3.767 0.454 25663 5582 1 11 . 1 1 75 75 ILE C C 75 176.249 176.249 173.967 2.282 25663 5583 1 11 . 1 1 75 75 ILE CA C 75 59.422 59.422 61.444 -2.022 25663 5584 1 11 . 1 1 75 75 ILE CB C 75 36.008 36.008 37.916 -1.908 25663 5585 1 11 . 1 1 75 75 ILE H H 75 8.265 8.265 8.173 0.092 25663 5586 1 11 . 1 1 76 76 ILE N N 76 134.542 134.542 126.619 7.923 25663 5587 1 11 . 1 1 76 76 ILE HA H 76 3.587 3.587 4.211 -0.624 25663 5588 1 11 . 1 1 76 76 ILE C C 76 173.769 173.769 174.424 -0.655 25663 5589 1 11 . 1 1 76 76 ILE CA C 76 59.599 59.599 59.598 0.001 25663 5590 1 11 . 1 1 76 76 ILE CB C 76 33.139 33.139 37.704 -4.565 25663 5591 1 11 . 1 1 76 76 ILE H H 76 8.660 8.660 8.158 0.502 25663 5592 1 11 . 1 1 77 77 ASP N N 77 126.213 126.213 127.310 -1.097 25663 5593 1 11 . 1 1 77 77 ASP HA H 77 4.790 4.790 4.978 -0.188 25663 5594 1 11 . 1 1 77 77 ASP C C 77 176.390 176.390 175.674 0.716 25663 5595 1 11 . 1 1 77 77 ASP CA C 77 52.927 52.927 53.133 -0.206 25663 5596 1 11 . 1 1 77 77 ASP CB C 77 44.224 44.224 44.243 -0.019 25663 5597 1 11 . 1 1 77 77 ASP H H 77 7.925 7.925 8.696 -0.771 25663 5598 1 11 . 1 1 78 78 TYR N N 78 126.424 126.424 123.201 3.223 25663 5599 1 11 . 1 1 78 78 TYR HA H 78 4.780 4.780 4.462 0.318 25663 5600 1 11 . 1 1 78 78 TYR C C 78 177.025 177.025 176.852 0.173 25663 5601 1 11 . 1 1 78 78 TYR CA C 78 54.257 54.257 58.850 -4.593 25663 5602 1 11 . 1 1 78 78 TYR CB C 78 36.513 36.513 39.021 -2.508 25663 5603 1 11 . 1 1 78 78 TYR H H 78 9.313 9.313 8.609 0.704 25663 5604 1 11 . 1 1 79 79 GLY N N 79 110.776 110.776 109.189 1.587 25663 5605 1 11 . 1 1 79 79 GLY C C 79 172.389 172.389 173.271 -0.882 25663 5606 1 11 . 1 1 79 79 GLY CA C 79 44.317 44.317 45.390 -1.073 25663 5607 1 11 . 1 1 79 79 GLY H H 79 8.880 8.880 8.440 0.440 25663 5608 1 11 . 1 1 80 80 ILE N N 80 117.437 117.437 123.100 -5.663 25663 5609 1 11 . 1 1 80 80 ILE HA H 80 3.897 3.897 4.363 -0.466 25663 5610 1 11 . 1 1 80 80 ILE C C 80 177.495 177.495 174.532 2.963 25663 5611 1 11 . 1 1 80 80 ILE CA C 80 61.293 61.293 60.916 0.376 25663 5612 1 11 . 1 1 80 80 ILE CB C 80 36.412 36.412 40.035 -3.623 25663 5613 1 11 . 1 1 80 80 ILE H H 80 8.189 8.189 7.859 0.330 25663 5614 1 11 . 1 1 81 81 ARG N N 81 128.585 128.585 126.690 1.895 25663 5615 1 11 . 1 1 81 81 ARG HA H 81 4.367 4.367 4.711 -0.344 25663 5616 1 11 . 1 1 81 81 ARG CA C 81 52.745 52.745 55.451 -2.706 25663 5617 1 11 . 1 1 81 81 ARG CB C 81 27.133 27.133 31.487 -4.354 25663 5618 1 11 . 1 1 81 81 ARG H H 81 8.367 8.367 8.903 -0.536 25663 5619 1 11 . 1 1 82 82 LEU HA H 82 4.145 4.145 4.265 -0.120 25663 5620 1 11 . 1 1 82 82 LEU C C 82 177.546 177.546 177.068 0.478 25663 5621 1 11 . 1 1 82 82 LEU CA C 82 56.857 56.857 55.247 1.610 25663 5622 1 11 . 1 1 82 82 LEU CB C 82 42.266 42.266 41.298 0.968 25663 5623 1 11 . 1 1 82 82 LEU H H 82 8.226 8.226 8.912 -0.686 25663 5624 1 11 . 1 1 83 83 ASN N N 83 115.779 115.779 116.335 -0.556 25663 5625 1 11 . 1 1 83 83 ASN HA H 83 4.913 4.913 4.818 0.095 25663 5626 1 11 . 1 1 83 83 ASN C C 83 175.764 175.764 176.269 -0.505 25663 5627 1 11 . 1 1 83 83 ASN CA C 83 51.627 51.627 52.574 -0.947 25663 5628 1 11 . 1 1 83 83 ASN CB C 83 37.505 37.505 37.943 -0.438 25663 5629 1 11 . 1 1 83 83 ASN H H 83 8.628 8.628 8.362 0.266 25663 5630 1 11 . 1 1 84 84 ARG N N 84 121.554 121.554 120.099 1.455 25663 5631 1 11 . 1 1 84 84 ARG HA H 84 4.637 4.637 3.519 1.118 25663 5632 1 11 . 1 1 84 84 ARG C C 84 177.197 177.197 176.865 0.332 25663 5633 1 11 . 1 1 84 84 ARG CA C 84 56.695 56.695 58.673 -1.978 25663 5634 1 11 . 1 1 84 84 ARG CB C 84 29.361 29.361 29.534 -0.173 25663 5635 1 11 . 1 1 84 84 ARG H H 84 8.593 8.593 8.009 0.584 25663 5636 1 11 . 1 1 85 85 SER N N 85 116.623 116.623 111.122 5.501 25663 5637 1 11 . 1 1 85 85 SER HA H 85 4.628 4.628 4.415 0.213 25663 5638 1 11 . 1 1 85 85 SER C C 85 174.403 174.403 175.472 -1.069 25663 5639 1 11 . 1 1 85 85 SER CA C 85 58.827 58.827 59.732 -0.905 25663 5640 1 11 . 1 1 85 85 SER CB C 85 62.996 62.996 63.323 -0.327 25663 5641 1 11 . 1 1 85 85 SER H H 85 8.567 8.567 8.079 0.488 25663 5642 1 11 . 1 1 86 86 GLU N N 86 121.171 121.171 122.934 -1.763 25663 5643 1 11 . 1 1 86 86 GLU HA H 86 3.864 3.864 4.489 -0.625 25663 5644 1 11 . 1 1 86 86 GLU C C 86 174.422 174.422 175.780 -1.358 25663 5645 1 11 . 1 1 86 86 GLU CA C 86 57.520 57.520 56.426 1.094 25663 5646 1 11 . 1 1 86 86 GLU CB C 86 31.292 31.292 30.930 0.362 25663 5647 1 11 . 1 1 86 86 GLU H H 86 7.219 7.219 8.403 -1.184 25663 5648 1 11 . 1 1 87 87 ARG N N 87 118.124 118.124 120.278 -2.154 25663 5649 1 11 . 1 1 87 87 ARG HA H 87 4.687 4.687 4.500 0.187 25663 5650 1 11 . 1 1 87 87 ARG C C 87 173.408 173.408 175.346 -1.938 25663 5651 1 11 . 1 1 87 87 ARG CA C 87 54.387 54.387 56.379 -1.992 25663 5652 1 11 . 1 1 87 87 ARG CB C 87 31.544 31.544 30.975 0.569 25663 5653 1 11 . 1 1 87 87 ARG H H 87 7.263 7.263 8.660 -1.397 25663 5654 1 11 . 1 1 88 88 TRP N N 88 121.383 121.383 122.565 -1.182 25663 5655 1 11 . 1 1 88 88 TRP HA H 88 4.899 4.899 4.784 0.115 25663 5656 1 11 . 1 1 88 88 TRP CA C 88 54.508 54.508 57.175 -2.667 25663 5657 1 11 . 1 1 88 88 TRP CB C 88 33.610 33.610 31.588 2.022 25663 5658 1 11 . 1 1 88 88 TRP H H 88 8.811 8.811 8.550 0.261 25663 5659 1 11 . 1 1 89 89 ASP N N 89 119.285 119.285 119.773 -0.488 25663 5660 1 11 . 1 1 89 89 ASP HA H 89 5.602 5.602 5.060 0.542 25663 5661 1 11 . 1 1 89 89 ASP C C 89 173.648 173.648 175.029 -1.381 25663 5662 1 11 . 1 1 89 89 ASP CA C 89 54.558 54.558 53.319 1.239 25663 5663 1 11 . 1 1 89 89 ASP CB C 89 40.438 40.438 42.522 -2.084 25663 5664 1 11 . 1 1 89 89 ASP H H 89 8.552 8.552 8.560 -0.008 25663 5665 1 11 . 1 1 90 90 ALA N N 90 121.014 121.014 118.801 2.213 25663 5666 1 11 . 1 1 90 90 ALA HA H 90 5.095 5.095 4.816 0.279 25663 5667 1 11 . 1 1 90 90 ALA C C 90 175.076 175.076 175.016 0.060 25663 5668 1 11 . 1 1 90 90 ALA CA C 90 52.089 52.089 51.767 0.322 25663 5669 1 11 . 1 1 90 90 ALA CB C 90 23.118 23.118 21.701 1.417 25663 5670 1 11 . 1 1 90 90 ALA H H 90 8.449 8.449 7.953 0.496 25663 5671 1 11 . 1 1 91 91 TYR N N 91 118.243 118.243 118.081 0.162 25663 5672 1 11 . 1 1 91 91 TYR HA H 91 5.072 5.072 4.967 0.105 25663 5673 1 11 . 1 1 91 91 TYR C C 91 174.671 174.671 174.947 -0.276 25663 5674 1 11 . 1 1 91 91 TYR CA C 91 58.787 58.787 58.355 0.432 25663 5675 1 11 . 1 1 91 91 TYR CB C 91 40.686 40.686 41.704 -1.018 25663 5676 1 11 . 1 1 91 91 TYR H H 91 8.421 8.421 7.977 0.444 25663 5677 1 11 . 1 1 92 92 CYS N N 92 119.931 119.931 118.892 1.039 25663 5678 1 11 . 1 1 92 92 CYS HA H 92 5.263 5.263 4.981 0.282 25663 5679 1 11 . 1 1 92 92 CYS C C 92 172.698 172.698 172.601 0.097 25663 5680 1 11 . 1 1 92 92 CYS CA C 92 50.601 50.601 58.010 -7.409 25663 5681 1 11 . 1 1 92 92 CYS CB C 92 37.818 37.818 31.762 6.056 25663 5682 1 11 . 1 1 92 92 CYS H H 92 8.459 8.459 8.924 -0.465 25663 5683 1 11 . 1 1 93 93 TYR N N 93 120.805 120.805 121.404 -0.599 25663 5684 1 11 . 1 1 93 93 TYR HA H 93 4.903 4.903 4.844 0.059 25663 5685 1 11 . 1 1 93 93 TYR C C 93 173.902 173.902 173.065 0.837 25663 5686 1 11 . 1 1 93 93 TYR CA C 93 57.096 57.096 57.823 -0.727 25663 5687 1 11 . 1 1 93 93 TYR CB C 93 41.665 41.665 41.110 0.555 25663 5688 1 11 . 1 1 93 93 TYR H H 93 9.410 9.410 8.813 0.597 25663 5689 1 11 . 1 1 94 94 ASN N N 94 124.511 124.511 124.982 -0.471 25663 5690 1 11 . 1 1 94 94 ASN HA H 94 4.774 4.774 5.222 -0.448 25663 5691 1 11 . 1 1 94 94 ASN CA C 94 49.599 49.599 51.152 -1.553 25663 5692 1 11 . 1 1 94 94 ASN CB C 94 41.642 41.642 41.046 0.596 25663 5693 1 11 . 1 1 94 94 ASN H H 94 7.832 7.832 8.083 -0.251 25663 5694 1 11 . 1 1 95 95 PRO HA H 95 4.141 4.141 4.222 -0.081 25663 5695 1 11 . 1 1 95 95 PRO C C 95 176.345 176.345 175.843 0.502 25663 5696 1 11 . 1 1 95 95 PRO CA C 95 63.800 63.800 63.969 -0.170 25663 5697 1 11 . 1 1 95 95 PRO CB C 95 32.046 32.046 31.993 0.053 25663 5698 1 11 . 1 1 96 96 HIS N N 96 116.009 116.009 116.658 -0.649 25663 5699 1 11 . 1 1 96 96 HIS HA H 96 4.623 4.623 4.600 0.023 25663 5700 1 11 . 1 1 96 96 HIS C C 96 173.999 173.999 173.214 0.785 25663 5701 1 11 . 1 1 96 96 HIS CA C 96 55.046 55.046 54.723 0.323 25663 5702 1 11 . 1 1 96 96 HIS CB C 96 28.821 28.821 29.221 -0.401 25663 5703 1 11 . 1 1 96 96 HIS H H 96 8.354 8.354 7.552 0.802 25663 5704 1 11 . 1 1 97 97 ALA N N 97 123.775 123.775 129.624 -5.849 25663 5705 1 11 . 1 1 97 97 ALA HA H 97 4.269 4.269 4.356 -0.087 25663 5706 1 11 . 1 1 97 97 ALA C C 97 176.350 176.350 174.970 1.380 25663 5707 1 11 . 1 1 97 97 ALA CA C 97 51.796 51.796 52.147 -0.351 25663 5708 1 11 . 1 1 97 97 ALA CB C 97 19.648 19.648 20.035 -0.386 25663 5709 1 11 . 1 1 97 97 ALA H H 97 7.387 7.387 7.887 -0.500 25663 5710 1 12 . 1 1 2 2 VAL N N 2 122.742 122.742 123.670 -0.928 25663 5711 1 12 . 1 1 2 2 VAL HA H 2 5.257 5.257 4.356 0.901 25663 5712 1 12 . 1 1 2 2 VAL C C 2 174.533 174.533 176.248 -1.715 25663 5713 1 12 . 1 1 2 2 VAL CA C 2 60.536 60.536 61.243 -0.707 25663 5714 1 12 . 1 1 2 2 VAL CB C 2 33.278 33.278 31.523 1.755 25663 5715 1 12 . 1 1 2 2 VAL H H 2 8.486 8.486 8.539 -0.053 25663 5716 1 12 . 1 1 3 3 TYR N N 3 120.172 120.172 123.618 -3.446 25663 5717 1 12 . 1 1 3 3 TYR HA H 3 4.964 4.964 5.115 -0.151 25663 5718 1 12 . 1 1 3 3 TYR C C 3 173.399 173.399 173.787 -0.388 25663 5719 1 12 . 1 1 3 3 TYR CA C 3 56.073 56.073 56.284 -0.211 25663 5720 1 12 . 1 1 3 3 TYR CB C 3 40.278 40.278 40.314 -0.036 25663 5721 1 12 . 1 1 3 3 TYR H H 3 8.715 8.715 8.299 0.416 25663 5722 1 12 . 1 1 4 4 HIS N N 4 121.237 121.237 120.298 0.939 25663 5723 1 12 . 1 1 4 4 HIS HA H 4 4.929 4.929 5.068 -0.139 25663 5724 1 12 . 1 1 4 4 HIS C C 4 172.844 172.844 174.536 -1.692 25663 5725 1 12 . 1 1 4 4 HIS CA C 4 54.154 54.154 55.580 -1.426 25663 5726 1 12 . 1 1 4 4 HIS CB C 4 30.961 30.961 30.898 0.063 25663 5727 1 12 . 1 1 4 4 HIS H H 4 9.414 9.414 8.443 0.971 25663 5728 1 12 . 1 1 5 5 ARG N N 5 128.770 128.770 124.644 4.126 25663 5729 1 12 . 1 1 5 5 ARG HA H 5 4.619 4.619 4.596 0.023 25663 5730 1 12 . 1 1 5 5 ARG C C 5 172.967 172.967 174.533 -1.566 25663 5731 1 12 . 1 1 5 5 ARG CA C 5 53.177 53.177 55.289 -2.112 25663 5732 1 12 . 1 1 5 5 ARG CB C 5 33.832 33.832 32.167 1.665 25663 5733 1 12 . 1 1 5 5 ARG H H 5 8.805 8.805 8.533 0.272 25663 5734 1 12 . 1 1 6 6 GLU N N 6 121.037 121.037 126.287 -5.250 25663 5735 1 12 . 1 1 6 6 GLU HA H 6 4.490 4.490 4.421 0.069 25663 5736 1 12 . 1 1 6 6 GLU C C 6 176.264 176.264 176.121 0.143 25663 5737 1 12 . 1 1 6 6 GLU CA C 6 53.336 53.336 54.871 -1.535 25663 5738 1 12 . 1 1 6 6 GLU CB C 6 33.133 33.133 31.463 1.670 25663 5739 1 12 . 1 1 6 6 GLU H H 6 8.232 8.232 8.701 -0.469 25663 5740 1 12 . 1 1 7 7 ALA N N 7 123.438 123.438 129.543 -6.105 25663 5741 1 12 . 1 1 7 7 ALA HA H 7 4.215 4.215 4.204 0.011 25663 5742 1 12 . 1 1 7 7 ALA C C 7 178.419 178.419 177.160 1.259 25663 5743 1 12 . 1 1 7 7 ALA CA C 7 52.182 52.182 52.452 -0.270 25663 5744 1 12 . 1 1 7 7 ALA CB C 7 20.128 20.128 19.424 0.704 25663 5745 1 12 . 1 1 7 7 ALA H H 7 8.756 8.756 8.616 0.140 25663 5746 1 12 . 1 1 8 8 ARG N N 8 122.559 122.559 121.118 1.441 25663 5747 1 12 . 1 1 8 8 ARG HA H 8 3.998 3.998 4.200 -0.202 25663 5748 1 12 . 1 1 8 8 ARG C C 8 177.448 177.448 176.872 0.576 25663 5749 1 12 . 1 1 8 8 ARG CA C 8 58.660 58.660 57.453 1.207 25663 5750 1 12 . 1 1 8 8 ARG CB C 8 29.406 29.406 30.344 -0.938 25663 5751 1 12 . 1 1 8 8 ARG H H 8 8.945 8.945 8.540 0.405 25663 5752 1 12 . 1 1 9 9 SER N N 9 107.309 107.309 113.727 -6.418 25663 5753 1 12 . 1 1 9 9 SER HA H 9 4.261 4.261 4.701 -0.440 25663 5754 1 12 . 1 1 9 9 SER C C 9 174.411 174.411 173.932 0.479 25663 5755 1 12 . 1 1 9 9 SER CA C 9 58.081 58.081 57.698 0.383 25663 5756 1 12 . 1 1 9 9 SER CB C 9 62.972 62.972 64.670 -1.698 25663 5757 1 12 . 1 1 9 9 SER H H 9 7.445 7.445 8.068 -0.623 25663 5758 1 12 . 1 1 10 10 GLY N N 10 109.574 109.574 109.922 -0.348 25663 5759 1 12 . 1 1 10 10 GLY C C 10 171.580 171.580 172.941 -1.361 25663 5760 1 12 . 1 1 10 10 GLY CA C 10 44.036 44.036 45.397 -1.361 25663 5761 1 12 . 1 1 10 10 GLY H H 10 7.379 7.379 7.731 -0.352 25663 5762 1 12 . 1 1 11 11 LYS N N 11 121.683 121.683 117.392 4.291 25663 5763 1 12 . 1 1 11 11 LYS HA H 11 3.993 3.993 4.215 -0.222 25663 5764 1 12 . 1 1 11 11 LYS C C 11 175.995 175.995 174.780 1.215 25663 5765 1 12 . 1 1 11 11 LYS CA C 11 57.374 57.374 56.976 0.398 25663 5766 1 12 . 1 1 11 11 LYS CB C 11 34.009 34.009 33.729 0.280 25663 5767 1 12 . 1 1 11 11 LYS H H 11 8.040 8.040 8.292 -0.252 25663 5768 1 12 . 1 1 12 12 TYR N N 12 122.956 122.956 117.603 5.353 25663 5769 1 12 . 1 1 12 12 TYR HA H 12 3.990 3.990 4.759 -0.769 25663 5770 1 12 . 1 1 12 12 TYR C C 12 173.905 173.905 175.417 -1.512 25663 5771 1 12 . 1 1 12 12 TYR CA C 12 54.397 54.397 57.642 -3.245 25663 5772 1 12 . 1 1 12 12 TYR CB C 12 32.105 32.105 39.787 -7.682 25663 5773 1 12 . 1 1 12 12 TYR H H 12 9.830 9.830 8.026 1.804 25663 5774 1 12 . 1 1 13 13 LYS N N 13 114.683 114.683 121.736 -7.053 25663 5775 1 12 . 1 1 13 13 LYS HA H 13 4.577 4.577 4.437 0.140 25663 5776 1 12 . 1 1 13 13 LYS C C 13 176.999 176.999 175.768 1.231 25663 5777 1 12 . 1 1 13 13 LYS CA C 13 55.014 55.014 56.022 -1.008 25663 5778 1 12 . 1 1 13 13 LYS CB C 13 35.021 35.021 31.514 3.507 25663 5779 1 12 . 1 1 13 13 LYS H H 13 8.445 8.445 8.000 0.445 25663 5780 1 12 . 1 1 14 14 LEU N N 14 123.176 123.176 121.081 2.095 25663 5781 1 12 . 1 1 14 14 LEU HA H 14 5.122 5.122 4.666 0.456 25663 5782 1 12 . 1 1 14 14 LEU C C 14 178.304 178.304 175.622 2.682 25663 5783 1 12 . 1 1 14 14 LEU CA C 14 54.800 54.800 53.809 0.991 25663 5784 1 12 . 1 1 14 14 LEU CB C 14 43.528 43.528 45.032 -1.504 25663 5785 1 12 . 1 1 14 14 LEU H H 14 9.479 9.479 7.622 1.857 25663 5786 1 12 . 1 1 15 15 THR N N 15 116.144 116.144 113.520 2.624 25663 5787 1 12 . 1 1 15 15 THR HA H 15 5.485 5.485 4.384 1.101 25663 5788 1 12 . 1 1 15 15 THR C C 15 174.697 174.697 175.299 -0.602 25663 5789 1 12 . 1 1 15 15 THR CA C 15 61.722 61.722 59.183 2.539 25663 5790 1 12 . 1 1 15 15 THR CB C 15 70.914 70.914 71.233 -0.319 25663 5791 1 12 . 1 1 15 15 THR H H 15 8.792 8.792 8.111 0.681 25663 5792 1 12 . 1 1 16 16 TYR N N 16 120.594 120.594 119.384 1.210 25663 5793 1 12 . 1 1 16 16 TYR HA H 16 2.375 2.375 3.998 -1.623 25663 5794 1 12 . 1 1 16 16 TYR C C 16 176.133 176.133 176.719 -0.586 25663 5795 1 12 . 1 1 16 16 TYR CA C 16 61.408 61.408 61.167 0.241 25663 5796 1 12 . 1 1 16 16 TYR CB C 16 36.889 36.889 36.728 0.161 25663 5797 1 12 . 1 1 16 16 TYR H H 16 7.402 7.402 8.139 -0.737 25663 5798 1 12 . 1 1 17 17 ALA N N 17 118.108 118.108 121.028 -2.920 25663 5799 1 12 . 1 1 17 17 ALA HA H 17 3.509 3.509 3.657 -0.148 25663 5800 1 12 . 1 1 17 17 ALA C C 17 181.575 181.575 179.483 2.092 25663 5801 1 12 . 1 1 17 17 ALA CA C 17 54.732 54.732 54.369 0.363 25663 5802 1 12 . 1 1 17 17 ALA CB C 17 18.124 18.124 17.545 0.579 25663 5803 1 12 . 1 1 17 17 ALA H H 17 8.545 8.545 6.902 1.643 25663 5804 1 12 . 1 1 18 18 GLU N N 18 117.696 117.696 118.197 -0.501 25663 5805 1 12 . 1 1 18 18 GLU HA H 18 3.879 3.879 3.900 -0.021 25663 5806 1 12 . 1 1 18 18 GLU C C 18 178.624 178.624 178.829 -0.205 25663 5807 1 12 . 1 1 18 18 GLU CA C 18 58.432 58.432 58.997 -0.565 25663 5808 1 12 . 1 1 18 18 GLU CB C 18 30.814 30.814 29.175 1.639 25663 5809 1 12 . 1 1 18 18 GLU H H 18 7.327 7.327 7.364 -0.037 25663 5810 1 12 . 1 1 19 19 ALA N N 19 124.629 124.629 121.516 3.113 25663 5811 1 12 . 1 1 19 19 ALA HA H 19 3.871 3.871 4.029 -0.158 25663 5812 1 12 . 1 1 19 19 ALA C C 19 177.371 177.371 179.296 -1.925 25663 5813 1 12 . 1 1 19 19 ALA CA C 19 54.955 54.955 55.155 -0.200 25663 5814 1 12 . 1 1 19 19 ALA CB C 19 19.893 19.893 18.362 1.531 25663 5815 1 12 . 1 1 19 19 ALA H H 19 8.744 8.744 7.560 1.184 25663 5816 1 12 . 1 1 20 20 LYS N N 20 117.842 117.842 117.583 0.259 25663 5817 1 12 . 1 1 20 20 LYS HA H 20 3.435 3.435 4.084 -0.649 25663 5818 1 12 . 1 1 20 20 LYS C C 20 178.017 178.017 177.382 0.635 25663 5819 1 12 . 1 1 20 20 LYS CA C 20 60.086 60.086 58.991 1.095 25663 5820 1 12 . 1 1 20 20 LYS CB C 20 33.186 33.186 32.463 0.723 25663 5821 1 12 . 1 1 20 20 LYS H H 20 8.188 8.188 7.650 0.538 25663 5822 1 12 . 1 1 21 21 ALA N N 21 117.564 117.564 121.089 -3.525 25663 5823 1 12 . 1 1 21 21 ALA HA H 21 4.040 4.040 4.193 -0.153 25663 5824 1 12 . 1 1 21 21 ALA C C 21 180.598 180.598 179.536 1.062 25663 5825 1 12 . 1 1 21 21 ALA CA C 21 54.991 54.991 54.590 0.401 25663 5826 1 12 . 1 1 21 21 ALA CB C 21 18.071 18.071 18.630 -0.559 25663 5827 1 12 . 1 1 21 21 ALA H H 21 7.382 7.382 7.328 0.054 25663 5828 1 12 . 1 1 22 22 VAL N N 22 120.351 120.351 115.700 4.651 25663 5829 1 12 . 1 1 22 22 VAL HA H 22 3.883 3.883 3.848 0.035 25663 5830 1 12 . 1 1 22 22 VAL C C 22 177.921 177.921 176.664 1.257 25663 5831 1 12 . 1 1 22 22 VAL CA C 22 66.242 66.242 65.071 1.171 25663 5832 1 12 . 1 1 22 22 VAL CB C 22 31.136 31.136 31.743 -0.607 25663 5833 1 12 . 1 1 22 22 VAL H H 22 8.203 8.203 7.625 0.578 25663 5834 1 12 . 1 1 23 23 CYS N N 23 116.368 116.368 116.191 0.177 25663 5835 1 12 . 1 1 23 23 CYS HA H 23 4.352 4.352 4.679 -0.327 25663 5836 1 12 . 1 1 23 23 CYS C C 23 178.687 178.687 174.124 4.563 25663 5837 1 12 . 1 1 23 23 CYS CA C 23 55.224 55.224 57.787 -2.563 25663 5838 1 12 . 1 1 23 23 CYS CB C 23 33.542 33.542 29.319 4.223 25663 5839 1 12 . 1 1 23 23 CYS H H 23 7.788 7.788 7.953 -0.165 25663 5840 1 12 . 1 1 24 24 GLU N N 24 120.341 120.341 119.642 0.699 25663 5841 1 12 . 1 1 24 24 GLU HA H 24 4.259 4.259 4.120 0.139 25663 5842 1 12 . 1 1 24 24 GLU C C 24 180.516 180.516 177.464 3.052 25663 5843 1 12 . 1 1 24 24 GLU CA C 24 58.412 58.412 58.729 -0.317 25663 5844 1 12 . 1 1 24 24 GLU CB C 24 28.855 28.855 29.549 -0.694 25663 5845 1 12 . 1 1 24 24 GLU H H 24 8.196 8.196 8.930 -0.734 25663 5846 1 12 . 1 1 25 25 PHE N N 25 124.937 124.937 119.123 5.814 25663 5847 1 12 . 1 1 25 25 PHE HA H 25 4.267 4.267 4.237 0.030 25663 5848 1 12 . 1 1 25 25 PHE C C 25 177.593 177.593 176.335 1.258 25663 5849 1 12 . 1 1 25 25 PHE CA C 25 60.845 60.845 61.016 -0.170 25663 5850 1 12 . 1 1 25 25 PHE CB C 25 39.035 39.035 39.355 -0.320 25663 5851 1 12 . 1 1 25 25 PHE H H 25 8.946 8.946 8.432 0.514 25663 5852 1 12 . 1 1 26 26 GLU N N 26 114.486 114.486 118.450 -3.964 25663 5853 1 12 . 1 1 26 26 GLU HA H 26 4.090 4.090 4.309 -0.219 25663 5854 1 12 . 1 1 26 26 GLU C C 26 175.712 175.712 177.311 -1.599 25663 5855 1 12 . 1 1 26 26 GLU CA C 26 56.249 56.249 56.181 0.069 25663 5856 1 12 . 1 1 26 26 GLU CB C 26 29.418 29.418 28.843 0.575 25663 5857 1 12 . 1 1 26 26 GLU H H 26 7.359 7.359 8.442 -1.083 25663 5858 1 12 . 1 1 27 27 GLY N N 27 106.503 106.503 108.107 -1.604 25663 5859 1 12 . 1 1 27 27 GLY C C 27 174.107 174.107 175.301 -1.194 25663 5860 1 12 . 1 1 27 27 GLY CA C 27 45.426 45.426 44.949 0.477 25663 5861 1 12 . 1 1 27 27 GLY H H 27 7.695 7.695 7.956 -0.261 25663 5862 1 12 . 1 1 28 28 GLY N N 28 109.515 109.515 107.551 1.964 25663 5863 1 12 . 1 1 28 28 GLY C C 28 172.079 172.079 173.298 -1.219 25663 5864 1 12 . 1 1 28 28 GLY CA C 28 43.788 43.788 44.529 -0.741 25663 5865 1 12 . 1 1 28 28 GLY H H 28 7.745 7.745 7.902 -0.157 25663 5866 1 12 . 1 1 29 29 HIS N N 29 116.220 116.220 116.953 -0.733 25663 5867 1 12 . 1 1 29 29 HIS HA H 29 4.865 4.865 4.734 0.131 25663 5868 1 12 . 1 1 29 29 HIS C C 29 174.118 174.118 174.165 -0.047 25663 5869 1 12 . 1 1 29 29 HIS CA C 29 54.169 54.169 55.761 -1.592 25663 5870 1 12 . 1 1 29 29 HIS CB C 29 33.436 33.436 32.542 0.894 25663 5871 1 12 . 1 1 29 29 HIS H H 29 8.412 8.412 8.598 -0.186 25663 5872 1 12 . 1 1 30 30 LEU N N 30 124.046 124.046 123.819 0.227 25663 5873 1 12 . 1 1 30 30 LEU HA H 30 4.912 4.912 4.237 0.675 25663 5874 1 12 . 1 1 30 30 LEU C C 30 178.158 178.158 177.045 1.113 25663 5875 1 12 . 1 1 30 30 LEU CA C 30 56.817 56.817 55.331 1.486 25663 5876 1 12 . 1 1 30 30 LEU CB C 30 42.534 42.534 42.357 0.177 25663 5877 1 12 . 1 1 30 30 LEU H H 30 9.399 9.399 8.130 1.269 25663 5878 1 12 . 1 1 31 31 ALA N N 31 126.730 126.730 124.319 2.411 25663 5879 1 12 . 1 1 31 31 ALA HA H 31 4.403 4.403 4.544 -0.141 25663 5880 1 12 . 1 1 31 31 ALA C C 31 176.879 176.879 177.208 -0.329 25663 5881 1 12 . 1 1 31 31 ALA CA C 31 52.006 52.006 51.970 0.036 25663 5882 1 12 . 1 1 31 31 ALA CB C 31 19.593 19.593 20.072 -0.479 25663 5883 1 12 . 1 1 31 31 ALA H H 31 9.331 9.331 8.344 0.988 25663 5884 1 12 . 1 1 32 32 THR N N 32 111.206 111.206 116.731 -5.525 25663 5885 1 12 . 1 1 32 32 THR HA H 32 4.528 4.528 4.730 -0.202 25663 5886 1 12 . 1 1 32 32 THR C C 32 174.899 174.899 174.853 0.046 25663 5887 1 12 . 1 1 32 32 THR CA C 32 59.818 59.818 59.568 0.250 25663 5888 1 12 . 1 1 32 32 THR CB C 32 70.949 70.949 71.358 -0.409 25663 5889 1 12 . 1 1 32 32 THR H H 32 8.511 8.511 7.873 0.638 25663 5890 1 12 . 1 1 33 33 TYR N N 33 121.971 121.971 124.559 -2.588 25663 5891 1 12 . 1 1 33 33 TYR HA H 33 3.745 3.745 4.059 -0.314 25663 5892 1 12 . 1 1 33 33 TYR C C 33 176.176 176.176 177.104 -0.928 25663 5893 1 12 . 1 1 33 33 TYR CA C 33 62.320 62.320 63.023 -0.703 25663 5894 1 12 . 1 1 33 33 TYR CB C 33 38.737 38.737 38.704 0.033 25663 5895 1 12 . 1 1 33 33 TYR H H 33 8.623 8.623 9.054 -0.431 25663 5896 1 12 . 1 1 34 34 LYS N N 34 116.509 116.509 118.500 -1.991 25663 5897 1 12 . 1 1 34 34 LYS HA H 34 3.905 3.905 3.771 0.134 25663 5898 1 12 . 1 1 34 34 LYS C C 34 180.207 180.207 178.858 1.349 25663 5899 1 12 . 1 1 34 34 LYS CA C 34 59.854 59.854 60.106 -0.252 25663 5900 1 12 . 1 1 34 34 LYS CB C 34 32.743 32.743 31.722 1.021 25663 5901 1 12 . 1 1 34 34 LYS H H 34 8.284 8.284 8.343 -0.059 25663 5902 1 12 . 1 1 35 35 GLN N N 35 119.270 119.270 117.409 1.861 25663 5903 1 12 . 1 1 35 35 GLN HA H 35 3.822 3.822 3.913 -0.091 25663 5904 1 12 . 1 1 35 35 GLN C C 35 179.050 179.050 178.142 0.908 25663 5905 1 12 . 1 1 35 35 GLN CA C 35 58.402 58.402 58.761 -0.359 25663 5906 1 12 . 1 1 35 35 GLN CB C 35 26.715 26.715 28.327 -1.612 25663 5907 1 12 . 1 1 35 35 GLN H H 35 7.747 7.747 8.029 -0.282 25663 5908 1 12 . 1 1 36 36 LEU N N 36 122.992 122.992 120.230 2.762 25663 5909 1 12 . 1 1 36 36 LEU HA H 36 3.891 3.891 3.683 0.208 25663 5910 1 12 . 1 1 36 36 LEU C C 36 177.812 177.812 178.958 -1.146 25663 5911 1 12 . 1 1 36 36 LEU CA C 36 58.166 58.166 57.532 0.634 25663 5912 1 12 . 1 1 36 36 LEU CB C 36 41.981 41.981 41.233 0.748 25663 5913 1 12 . 1 1 36 36 LEU H H 36 8.473 8.473 8.267 0.206 25663 5914 1 12 . 1 1 37 37 GLU N N 37 120.512 120.512 119.257 1.255 25663 5915 1 12 . 1 1 37 37 GLU HA H 37 4.244 4.244 3.784 0.460 25663 5916 1 12 . 1 1 37 37 GLU C C 37 177.984 177.984 178.091 -0.107 25663 5917 1 12 . 1 1 37 37 GLU CA C 37 58.018 58.018 58.880 -0.862 25663 5918 1 12 . 1 1 37 37 GLU CB C 37 28.236 28.236 28.890 -0.654 25663 5919 1 12 . 1 1 37 37 GLU H H 37 8.526 8.526 8.461 0.065 25663 5920 1 12 . 1 1 38 38 ALA N N 38 121.256 121.256 119.406 1.850 25663 5921 1 12 . 1 1 38 38 ALA HA H 38 3.995 3.995 4.216 -0.221 25663 5922 1 12 . 1 1 38 38 ALA C C 38 180.513 180.513 178.879 1.634 25663 5923 1 12 . 1 1 38 38 ALA CA C 38 54.968 54.968 53.982 0.986 25663 5924 1 12 . 1 1 38 38 ALA CB C 38 17.792 17.792 18.067 -0.275 25663 5925 1 12 . 1 1 38 38 ALA H H 38 7.806 7.806 7.160 0.646 25663 5926 1 12 . 1 1 39 39 ALA N N 39 120.185 120.185 121.131 -0.946 25663 5927 1 12 . 1 1 39 39 ALA HA H 39 4.164 4.164 4.180 -0.016 25663 5928 1 12 . 1 1 39 39 ALA C C 39 180.063 180.063 179.951 0.112 25663 5929 1 12 . 1 1 39 39 ALA CA C 39 54.064 54.064 54.185 -0.121 25663 5930 1 12 . 1 1 39 39 ALA CB C 39 17.883 17.883 18.310 -0.427 25663 5931 1 12 . 1 1 39 39 ALA H H 39 7.495 7.495 7.211 0.284 25663 5932 1 12 . 1 1 40 40 ARG N N 40 124.604 124.604 117.910 6.694 25663 5933 1 12 . 1 1 40 40 ARG HA H 40 4.658 4.658 4.215 0.443 25663 5934 1 12 . 1 1 40 40 ARG C C 40 180.610 180.610 178.636 1.974 25663 5935 1 12 . 1 1 40 40 ARG CA C 40 58.559 58.559 58.165 0.394 25663 5936 1 12 . 1 1 40 40 ARG CB C 40 30.707 30.707 29.704 1.003 25663 5937 1 12 . 1 1 40 40 ARG H H 40 8.789 8.789 7.856 0.933 25663 5938 1 12 . 1 1 41 41 LYS N N 41 117.810 117.810 119.106 -1.296 25663 5939 1 12 . 1 1 41 41 LYS HA H 41 3.925 3.925 4.252 -0.327 25663 5940 1 12 . 1 1 41 41 LYS C C 41 178.134 178.134 176.992 1.142 25663 5941 1 12 . 1 1 41 41 LYS CA C 41 59.409 59.409 58.018 1.391 25663 5942 1 12 . 1 1 41 41 LYS CB C 41 32.786 32.786 32.266 0.520 25663 5943 1 12 . 1 1 41 41 LYS H H 41 8.267 8.267 7.540 0.727 25663 5944 1 12 . 1 1 42 42 ILE N N 42 110.889 110.889 118.262 -7.373 25663 5945 1 12 . 1 1 42 42 ILE HA H 42 4.581 4.581 4.307 0.274 25663 5946 1 12 . 1 1 42 42 ILE C C 42 176.527 176.527 176.372 0.155 25663 5947 1 12 . 1 1 42 42 ILE CA C 42 60.751 60.751 59.925 0.826 25663 5948 1 12 . 1 1 42 42 ILE CB C 42 37.739 37.739 37.086 0.653 25663 5949 1 12 . 1 1 42 42 ILE H H 42 7.263 7.263 8.112 -0.849 25663 5950 1 12 . 1 1 43 43 GLY N N 43 108.366 108.366 108.627 -0.261 25663 5951 1 12 . 1 1 43 43 GLY C C 43 173.880 173.880 174.886 -1.006 25663 5952 1 12 . 1 1 43 43 GLY CA C 43 45.585 45.585 44.910 0.675 25663 5953 1 12 . 1 1 43 43 GLY H H 43 7.816 7.816 7.605 0.211 25663 5954 1 12 . 1 1 44 44 PHE N N 44 125.650 125.650 121.139 4.511 25663 5955 1 12 . 1 1 44 44 PHE HA H 44 4.510 4.510 4.445 0.065 25663 5956 1 12 . 1 1 44 44 PHE C C 44 171.183 171.183 174.138 -2.955 25663 5957 1 12 . 1 1 44 44 PHE CA C 44 59.012 59.012 59.041 -0.029 25663 5958 1 12 . 1 1 44 44 PHE CB C 44 39.986 39.986 39.891 0.095 25663 5959 1 12 . 1 1 44 44 PHE H H 44 8.003 8.003 7.483 0.520 25663 5960 1 12 . 1 1 45 45 HIS N N 45 126.999 126.999 127.613 -0.614 25663 5961 1 12 . 1 1 45 45 HIS HA H 45 4.728 4.728 4.551 0.177 25663 5962 1 12 . 1 1 45 45 HIS C C 45 175.134 175.134 172.515 2.619 25663 5963 1 12 . 1 1 45 45 HIS CA C 45 55.539 55.539 55.101 0.438 25663 5964 1 12 . 1 1 45 45 HIS CB C 45 34.586 34.586 31.451 3.135 25663 5965 1 12 . 1 1 45 45 HIS H H 45 7.326 7.326 7.987 -0.661 25663 5966 1 12 . 1 1 46 46 VAL N N 46 126.425 126.425 122.476 3.949 25663 5967 1 12 . 1 1 46 46 VAL HA H 46 3.665 3.665 4.089 -0.424 25663 5968 1 12 . 1 1 46 46 VAL CA C 46 61.647 61.647 60.524 1.123 25663 5969 1 12 . 1 1 46 46 VAL CB C 46 35.141 35.141 36.260 -1.119 25663 5970 1 12 . 1 1 46 46 VAL H H 46 8.147 8.147 8.049 0.098 25663 5971 1 12 . 1 1 47 47 CYS N N 47 127.308 127.308 121.644 5.664 25663 5972 1 12 . 1 1 47 47 CYS HA H 47 4.470 4.470 4.865 -0.395 25663 5973 1 12 . 1 1 47 47 CYS C C 47 172.533 172.533 172.905 -0.372 25663 5974 1 12 . 1 1 47 47 CYS CA C 47 55.259 55.259 58.675 -3.416 25663 5975 1 12 . 1 1 47 47 CYS CB C 47 44.867 44.867 27.106 17.761 25663 5976 1 12 . 1 1 47 47 CYS H H 47 8.675 8.675 9.100 -0.425 25663 5977 1 12 . 1 1 48 48 ALA N N 48 120.376 120.376 123.144 -2.768 25663 5978 1 12 . 1 1 48 48 ALA HA H 48 4.278 4.278 4.737 -0.459 25663 5979 1 12 . 1 1 48 48 ALA C C 48 173.936 173.936 175.487 -1.551 25663 5980 1 12 . 1 1 48 48 ALA CA C 48 51.286 51.286 51.537 -0.251 25663 5981 1 12 . 1 1 48 48 ALA CB C 48 19.831 19.831 22.265 -2.434 25663 5982 1 12 . 1 1 48 48 ALA H H 48 6.500 6.500 7.638 -1.138 25663 5983 1 12 . 1 1 49 49 ALA N N 49 130.715 130.715 125.018 5.697 25663 5984 1 12 . 1 1 49 49 ALA HA H 49 3.834 3.834 3.956 -0.122 25663 5985 1 12 . 1 1 49 49 ALA C C 49 176.061 176.061 176.441 -0.380 25663 5986 1 12 . 1 1 49 49 ALA CA C 49 53.466 53.466 51.559 1.907 25663 5987 1 12 . 1 1 49 49 ALA CB C 49 18.332 18.332 19.011 -0.679 25663 5988 1 12 . 1 1 49 49 ALA H H 49 8.424 8.424 8.388 0.036 25663 5989 1 12 . 1 1 50 50 GLY N N 50 107.085 107.085 109.961 -2.876 25663 5990 1 12 . 1 1 50 50 GLY C C 50 170.793 170.793 172.577 -1.784 25663 5991 1 12 . 1 1 50 50 GLY CA C 50 43.792 43.792 45.061 -1.269 25663 5992 1 12 . 1 1 50 50 GLY H H 50 8.746 8.746 7.904 0.842 25663 5993 1 12 . 1 1 51 51 TRP N N 51 121.565 121.565 123.430 -1.865 25663 5994 1 12 . 1 1 51 51 TRP HA H 51 4.960 4.960 4.857 0.103 25663 5995 1 12 . 1 1 51 51 TRP C C 51 174.095 174.095 175.667 -1.572 25663 5996 1 12 . 1 1 51 51 TRP CA C 51 58.852 58.852 59.011 -0.159 25663 5997 1 12 . 1 1 51 51 TRP CB C 51 32.034 32.034 30.445 1.589 25663 5998 1 12 . 1 1 51 51 TRP H H 51 8.596 8.596 8.681 -0.085 25663 5999 1 12 . 1 1 52 52 MET N N 52 118.713 118.713 116.097 2.616 25663 6000 1 12 . 1 1 52 52 MET HA H 52 4.945 4.945 4.754 0.191 25663 6001 1 12 . 1 1 52 52 MET C C 52 174.575 174.575 174.846 -0.271 25663 6002 1 12 . 1 1 52 52 MET CA C 52 54.277 54.277 53.846 0.431 25663 6003 1 12 . 1 1 52 52 MET CB C 52 39.146 39.146 36.836 2.310 25663 6004 1 12 . 1 1 52 52 MET H H 52 9.116 9.116 8.473 0.643 25663 6005 1 12 . 1 1 53 53 ALA N N 53 120.116 120.116 122.972 -2.856 25663 6006 1 12 . 1 1 53 53 ALA HA H 53 4.186 4.186 3.999 0.187 25663 6007 1 12 . 1 1 53 53 ALA C C 53 178.250 178.250 178.131 0.119 25663 6008 1 12 . 1 1 53 53 ALA CA C 53 53.791 53.791 53.867 -0.076 25663 6009 1 12 . 1 1 53 53 ALA CB C 53 19.462 19.462 18.736 0.726 25663 6010 1 12 . 1 1 53 53 ALA H H 53 8.517 8.517 8.283 0.234 25663 6011 1 12 . 1 1 54 54 LYS N N 54 112.641 112.641 122.086 -9.445 25663 6012 1 12 . 1 1 54 54 LYS HA H 54 3.857 3.857 3.964 -0.107 25663 6013 1 12 . 1 1 54 54 LYS C C 54 175.913 175.913 176.467 -0.554 25663 6014 1 12 . 1 1 54 54 LYS CA C 54 57.608 57.608 56.595 1.013 25663 6015 1 12 . 1 1 54 54 LYS CB C 54 29.796 29.796 31.347 -1.551 25663 6016 1 12 . 1 1 54 54 LYS H H 54 8.866 8.866 9.037 -0.171 25663 6017 1 12 . 1 1 55 55 GLY N N 55 104.227 104.227 104.512 -0.285 25663 6018 1 12 . 1 1 55 55 GLY C C 55 173.820 173.820 174.674 -0.854 25663 6019 1 12 . 1 1 55 55 GLY CA C 55 45.933 45.933 45.876 0.057 25663 6020 1 12 . 1 1 55 55 GLY H H 55 8.239 8.239 8.424 -0.185 25663 6021 1 12 . 1 1 56 56 ARG N N 56 122.045 122.045 121.475 0.570 25663 6022 1 12 . 1 1 56 56 ARG HA H 56 4.771 4.771 4.466 0.305 25663 6023 1 12 . 1 1 56 56 ARG C C 56 173.828 173.828 176.109 -2.281 25663 6024 1 12 . 1 1 56 56 ARG CA C 56 55.010 55.010 56.087 -1.077 25663 6025 1 12 . 1 1 56 56 ARG CB C 56 31.939 31.939 29.823 2.116 25663 6026 1 12 . 1 1 56 56 ARG H H 56 6.825 6.825 7.462 -0.637 25663 6027 1 12 . 1 1 57 57 VAL N N 57 122.581 122.581 127.291 -4.710 25663 6028 1 12 . 1 1 57 57 VAL HA H 57 4.632 4.632 4.220 0.412 25663 6029 1 12 . 1 1 57 57 VAL C C 57 173.775 173.775 174.702 -0.927 25663 6030 1 12 . 1 1 57 57 VAL CA C 57 59.946 59.946 62.381 -2.435 25663 6031 1 12 . 1 1 57 57 VAL CB C 57 35.191 35.191 32.735 2.456 25663 6032 1 12 . 1 1 57 57 VAL H H 57 7.084 7.084 8.070 -0.986 25663 6033 1 12 . 1 1 58 58 GLY N N 58 112.994 112.994 114.702 -1.708 25663 6034 1 12 . 1 1 58 58 GLY C C 58 171.431 171.431 171.706 -0.275 25663 6035 1 12 . 1 1 58 58 GLY CA C 58 46.285 46.285 45.462 0.823 25663 6036 1 12 . 1 1 58 58 GLY H H 58 8.112 8.112 7.800 0.312 25663 6037 1 12 . 1 1 59 59 TYR N N 59 111.540 111.540 115.685 -4.145 25663 6038 1 12 . 1 1 59 59 TYR HA H 59 4.337 4.337 4.809 -0.472 25663 6039 1 12 . 1 1 59 59 TYR CA C 59 55.972 55.972 54.818 1.154 25663 6040 1 12 . 1 1 59 59 TYR CB C 59 34.363 34.363 38.209 -3.845 25663 6041 1 12 . 1 1 59 59 TYR H H 59 7.796 7.796 8.091 -0.295 25663 6042 1 12 . 1 1 60 60 PRO HA H 60 4.497 4.497 4.292 0.205 25663 6043 1 12 . 1 1 60 60 PRO CA C 60 62.231 62.231 63.371 -1.140 25663 6044 1 12 . 1 1 60 60 PRO CB C 60 33.314 33.314 32.204 1.110 25663 6045 1 12 . 1 1 61 61 ILE HA H 61 4.444 4.444 4.813 -0.369 25663 6046 1 12 . 1 1 61 61 ILE CA C 61 56.601 56.601 59.767 -3.166 25663 6047 1 12 . 1 1 61 61 ILE CB C 61 38.417 38.417 40.000 -1.583 25663 6048 1 12 . 1 1 62 62 VAL HA H 62 3.935 3.935 3.976 -0.041 25663 6049 1 12 . 1 1 62 62 VAL CA C 62 64.377 64.377 62.802 1.575 25663 6050 1 12 . 1 1 62 62 VAL CB C 62 34.087 34.087 31.491 2.596 25663 6051 1 12 . 1 1 62 62 VAL H H 62 11.229 11.229 8.796 2.433 25663 6052 1 12 . 1 1 63 63 LYS N N 63 122.578 122.578 117.942 4.636 25663 6053 1 12 . 1 1 63 63 LYS HA H 63 4.753 4.753 4.518 0.235 25663 6054 1 12 . 1 1 63 63 LYS CA C 63 52.473 52.473 53.737 -1.264 25663 6055 1 12 . 1 1 63 63 LYS CB C 63 32.983 32.983 32.821 0.163 25663 6056 1 12 . 1 1 63 63 LYS H H 63 7.501 7.501 7.428 0.073 25663 6057 1 12 . 1 1 64 64 PRO HA H 64 4.362 4.362 4.341 0.021 25663 6058 1 12 . 1 1 64 64 PRO CA C 64 63.124 63.124 62.927 0.197 25663 6059 1 12 . 1 1 64 64 PRO CB C 64 32.121 32.121 31.928 0.193 25663 6060 1 12 . 1 1 65 65 GLY CA C 65 45.512 45.512 43.051 2.461 25663 6061 1 12 . 1 1 65 65 GLY H H 65 8.377 8.377 8.033 0.344 25663 6062 1 12 . 1 1 66 66 PRO HA H 66 4.010 4.010 4.592 -0.582 25663 6063 1 12 . 1 1 66 66 PRO C C 66 177.072 177.072 177.411 -0.339 25663 6064 1 12 . 1 1 66 66 PRO CA C 66 64.765 64.765 64.320 0.445 25663 6065 1 12 . 1 1 66 66 PRO CB C 66 32.121 32.121 32.153 -0.032 25663 6066 1 12 . 1 1 67 67 ASN N N 67 114.419 114.419 117.925 -3.506 25663 6067 1 12 . 1 1 67 67 ASN HA H 67 4.995 4.995 4.677 0.318 25663 6068 1 12 . 1 1 67 67 ASN C C 67 173.872 173.872 175.099 -1.227 25663 6069 1 12 . 1 1 67 67 ASN CA C 67 52.349 52.349 53.761 -1.412 25663 6070 1 12 . 1 1 67 67 ASN CB C 67 38.955 38.955 37.881 1.074 25663 6071 1 12 . 1 1 67 67 ASN H H 67 8.330 8.330 8.681 -0.351 25663 6072 1 12 . 1 1 68 68 CYS N N 68 118.995 118.995 116.491 2.504 25663 6073 1 12 . 1 1 68 68 CYS HA H 68 5.034 5.034 4.829 0.205 25663 6074 1 12 . 1 1 68 68 CYS CA C 68 54.247 54.247 56.410 -2.163 25663 6075 1 12 . 1 1 68 68 CYS CB C 68 44.260 44.260 30.878 13.382 25663 6076 1 12 . 1 1 68 68 CYS H H 68 7.327 7.327 7.490 -0.163 25663 6077 1 12 . 1 1 70 70 PHE HA H 70 4.305 4.305 4.824 -0.519 25663 6078 1 12 . 1 1 70 70 PHE CA C 70 58.889 58.889 57.236 1.653 25663 6079 1 12 . 1 1 70 70 PHE CB C 70 36.557 36.557 40.561 -4.004 25663 6080 1 12 . 1 1 71 71 GLY N N 71 105.368 105.368 108.401 -3.033 25663 6081 1 12 . 1 1 71 71 GLY CA C 71 46.043 46.043 45.226 0.817 25663 6082 1 12 . 1 1 71 71 GLY H H 71 7.339 7.339 8.863 -1.524 25663 6083 1 12 . 1 1 72 72 LYS N N 72 120.404 120.404 120.429 -0.025 25663 6084 1 12 . 1 1 72 72 LYS HA H 72 4.264 4.264 4.694 -0.430 25663 6085 1 12 . 1 1 72 72 LYS C C 72 175.440 175.440 174.864 0.576 25663 6086 1 12 . 1 1 72 72 LYS CA C 72 56.413 56.413 55.663 0.750 25663 6087 1 12 . 1 1 72 72 LYS CB C 72 33.686 33.686 34.756 -1.070 25663 6088 1 12 . 1 1 72 72 LYS H H 72 6.946 6.946 7.884 -0.938 25663 6089 1 12 . 1 1 73 73 THR N N 73 110.334 110.334 111.303 -0.969 25663 6090 1 12 . 1 1 73 73 THR HA H 73 4.233 4.233 4.846 -0.613 25663 6091 1 12 . 1 1 73 73 THR C C 73 173.774 173.774 174.784 -1.010 25663 6092 1 12 . 1 1 73 73 THR CA C 73 60.879 60.879 61.014 -0.135 25663 6093 1 12 . 1 1 73 73 THR CB C 73 70.841 70.841 71.837 -0.996 25663 6094 1 12 . 1 1 73 73 THR H H 73 7.911 7.911 8.117 -0.206 25663 6095 1 12 . 1 1 74 74 GLY N N 74 109.589 109.589 111.045 -1.456 25663 6096 1 12 . 1 1 74 74 GLY C C 74 172.715 172.715 175.217 -2.502 25663 6097 1 12 . 1 1 74 74 GLY CA C 74 43.404 43.404 44.490 -1.086 25663 6098 1 12 . 1 1 74 74 GLY H H 74 7.904 7.904 7.991 -0.087 25663 6099 1 12 . 1 1 75 75 ILE N N 75 120.787 120.787 121.228 -0.441 25663 6100 1 12 . 1 1 75 75 ILE HA H 75 4.221 4.221 3.753 0.468 25663 6101 1 12 . 1 1 75 75 ILE C C 75 176.249 176.249 176.117 0.132 25663 6102 1 12 . 1 1 75 75 ILE CA C 75 59.422 59.422 62.729 -3.307 25663 6103 1 12 . 1 1 75 75 ILE CB C 75 36.008 36.008 38.416 -2.408 25663 6104 1 12 . 1 1 75 75 ILE H H 75 8.265 8.265 8.117 0.148 25663 6105 1 12 . 1 1 76 76 ILE N N 76 134.542 134.542 117.838 16.704 25663 6106 1 12 . 1 1 76 76 ILE HA H 76 3.587 3.587 4.190 -0.603 25663 6107 1 12 . 1 1 76 76 ILE C C 76 173.769 173.769 174.076 -0.307 25663 6108 1 12 . 1 1 76 76 ILE CA C 76 59.599 59.599 59.875 -0.276 25663 6109 1 12 . 1 1 76 76 ILE CB C 76 33.139 33.139 38.287 -5.148 25663 6110 1 12 . 1 1 76 76 ILE H H 76 8.660 8.660 7.711 0.949 25663 6111 1 12 . 1 1 77 77 ASP N N 77 126.213 126.213 120.219 5.994 25663 6112 1 12 . 1 1 77 77 ASP HA H 77 4.790 4.790 4.290 0.500 25663 6113 1 12 . 1 1 77 77 ASP C C 77 176.390 176.390 175.966 0.424 25663 6114 1 12 . 1 1 77 77 ASP CA C 77 52.927 52.927 54.095 -1.168 25663 6115 1 12 . 1 1 77 77 ASP CB C 77 44.224 44.224 41.062 3.162 25663 6116 1 12 . 1 1 77 77 ASP H H 77 7.925 7.925 7.772 0.153 25663 6117 1 12 . 1 1 78 78 TYR N N 78 126.424 126.424 124.340 2.084 25663 6118 1 12 . 1 1 78 78 TYR HA H 78 4.780 4.780 4.316 0.465 25663 6119 1 12 . 1 1 78 78 TYR C C 78 177.025 177.025 177.051 -0.026 25663 6120 1 12 . 1 1 78 78 TYR CA C 78 54.257 54.257 59.718 -5.461 25663 6121 1 12 . 1 1 78 78 TYR CB C 78 36.513 36.513 39.147 -2.634 25663 6122 1 12 . 1 1 78 78 TYR H H 78 9.313 9.313 8.398 0.915 25663 6123 1 12 . 1 1 79 79 GLY N N 79 110.776 110.776 105.174 5.602 25663 6124 1 12 . 1 1 79 79 GLY C C 79 172.389 172.389 172.660 -0.271 25663 6125 1 12 . 1 1 79 79 GLY CA C 79 44.317 44.317 44.435 -0.118 25663 6126 1 12 . 1 1 79 79 GLY H H 79 8.880 8.880 8.162 0.718 25663 6127 1 12 . 1 1 80 80 ILE N N 80 117.437 117.437 124.844 -7.407 25663 6128 1 12 . 1 1 80 80 ILE HA H 80 3.897 3.897 4.305 -0.408 25663 6129 1 12 . 1 1 80 80 ILE C C 80 177.495 177.495 175.439 2.056 25663 6130 1 12 . 1 1 80 80 ILE CA C 80 61.293 61.293 60.825 0.468 25663 6131 1 12 . 1 1 80 80 ILE CB C 80 36.412 36.412 37.790 -1.378 25663 6132 1 12 . 1 1 80 80 ILE H H 80 8.189 8.189 8.302 -0.113 25663 6133 1 12 . 1 1 81 81 ARG N N 81 128.585 128.585 128.909 -0.324 25663 6134 1 12 . 1 1 81 81 ARG HA H 81 4.367 4.367 4.582 -0.215 25663 6135 1 12 . 1 1 81 81 ARG CA C 81 52.745 52.745 55.195 -2.450 25663 6136 1 12 . 1 1 81 81 ARG CB C 81 27.133 27.133 31.149 -4.016 25663 6137 1 12 . 1 1 81 81 ARG H H 81 8.367 8.367 8.607 -0.240 25663 6138 1 12 . 1 1 82 82 LEU HA H 82 4.145 4.145 4.405 -0.260 25663 6139 1 12 . 1 1 82 82 LEU C C 82 177.546 177.546 177.245 0.301 25663 6140 1 12 . 1 1 82 82 LEU CA C 82 56.857 56.857 55.117 1.740 25663 6141 1 12 . 1 1 82 82 LEU CB C 82 42.266 42.266 41.867 0.399 25663 6142 1 12 . 1 1 82 82 LEU H H 82 8.226 8.226 8.688 -0.462 25663 6143 1 12 . 1 1 83 83 ASN N N 83 115.779 115.779 117.662 -1.883 25663 6144 1 12 . 1 1 83 83 ASN HA H 83 4.913 4.913 4.668 0.245 25663 6145 1 12 . 1 1 83 83 ASN C C 83 175.764 175.764 176.325 -0.561 25663 6146 1 12 . 1 1 83 83 ASN CA C 83 51.627 51.627 52.886 -1.259 25663 6147 1 12 . 1 1 83 83 ASN CB C 83 37.505 37.505 37.995 -0.490 25663 6148 1 12 . 1 1 83 83 ASN H H 83 8.628 8.628 8.449 0.179 25663 6149 1 12 . 1 1 84 84 ARG N N 84 121.554 121.554 119.624 1.930 25663 6150 1 12 . 1 1 84 84 ARG HA H 84 4.637 4.637 4.029 0.608 25663 6151 1 12 . 1 1 84 84 ARG C C 84 177.197 177.197 176.403 0.794 25663 6152 1 12 . 1 1 84 84 ARG CA C 84 56.695 56.695 58.282 -1.587 25663 6153 1 12 . 1 1 84 84 ARG CB C 84 29.361 29.361 29.137 0.224 25663 6154 1 12 . 1 1 84 84 ARG H H 84 8.593 8.593 8.299 0.294 25663 6155 1 12 . 1 1 85 85 SER N N 85 116.623 116.623 111.939 4.684 25663 6156 1 12 . 1 1 85 85 SER HA H 85 4.628 4.628 4.570 0.058 25663 6157 1 12 . 1 1 85 85 SER C C 85 174.403 174.403 174.801 -0.398 25663 6158 1 12 . 1 1 85 85 SER CA C 85 58.827 58.827 58.769 0.058 25663 6159 1 12 . 1 1 85 85 SER CB C 85 62.996 62.996 63.497 -0.501 25663 6160 1 12 . 1 1 85 85 SER H H 85 8.567 8.567 8.049 0.518 25663 6161 1 12 . 1 1 86 86 GLU N N 86 121.171 121.171 122.646 -1.475 25663 6162 1 12 . 1 1 86 86 GLU HA H 86 3.864 3.864 4.352 -0.488 25663 6163 1 12 . 1 1 86 86 GLU C C 86 174.422 174.422 174.863 -0.441 25663 6164 1 12 . 1 1 86 86 GLU CA C 86 57.520 57.520 55.706 1.814 25663 6165 1 12 . 1 1 86 86 GLU CB C 86 31.292 31.292 31.086 0.206 25663 6166 1 12 . 1 1 86 86 GLU H H 86 7.219 7.219 8.287 -1.068 25663 6167 1 12 . 1 1 87 87 ARG N N 87 118.124 118.124 116.505 1.619 25663 6168 1 12 . 1 1 87 87 ARG HA H 87 4.687 4.687 4.576 0.111 25663 6169 1 12 . 1 1 87 87 ARG C C 87 173.408 173.408 174.312 -0.904 25663 6170 1 12 . 1 1 87 87 ARG CA C 87 54.387 54.387 55.396 -1.009 25663 6171 1 12 . 1 1 87 87 ARG CB C 87 31.544 31.544 32.638 -1.093 25663 6172 1 12 . 1 1 87 87 ARG H H 87 7.263 7.263 8.036 -0.773 25663 6173 1 12 . 1 1 88 88 TRP N N 88 121.383 121.383 122.406 -1.023 25663 6174 1 12 . 1 1 88 88 TRP HA H 88 4.899 4.899 5.220 -0.321 25663 6175 1 12 . 1 1 88 88 TRP CA C 88 54.508 54.508 56.170 -1.662 25663 6176 1 12 . 1 1 88 88 TRP CB C 88 33.610 33.610 31.538 2.072 25663 6177 1 12 . 1 1 88 88 TRP H H 88 8.811 8.811 9.381 -0.570 25663 6178 1 12 . 1 1 89 89 ASP N N 89 119.285 119.285 120.304 -1.019 25663 6179 1 12 . 1 1 89 89 ASP HA H 89 5.602 5.602 4.711 0.891 25663 6180 1 12 . 1 1 89 89 ASP C C 89 173.648 173.648 175.838 -2.190 25663 6181 1 12 . 1 1 89 89 ASP CA C 89 54.558 54.558 54.859 -0.301 25663 6182 1 12 . 1 1 89 89 ASP CB C 89 40.438 40.438 41.850 -1.412 25663 6183 1 12 . 1 1 89 89 ASP H H 89 8.552 8.552 8.941 -0.389 25663 6184 1 12 . 1 1 90 90 ALA N N 90 121.014 121.014 118.079 2.935 25663 6185 1 12 . 1 1 90 90 ALA HA H 90 5.095 5.095 4.670 0.425 25663 6186 1 12 . 1 1 90 90 ALA C C 90 175.076 175.076 175.405 -0.329 25663 6187 1 12 . 1 1 90 90 ALA CA C 90 52.089 52.089 52.077 0.012 25663 6188 1 12 . 1 1 90 90 ALA CB C 90 23.118 23.118 21.025 2.093 25663 6189 1 12 . 1 1 90 90 ALA H H 90 8.449 8.449 8.002 0.447 25663 6190 1 12 . 1 1 91 91 TYR N N 91 118.243 118.243 121.976 -3.733 25663 6191 1 12 . 1 1 91 91 TYR HA H 91 5.072 5.072 4.942 0.130 25663 6192 1 12 . 1 1 91 91 TYR C C 91 174.671 174.671 174.453 0.218 25663 6193 1 12 . 1 1 91 91 TYR CA C 91 58.787 58.787 58.187 0.600 25663 6194 1 12 . 1 1 91 91 TYR CB C 91 40.686 40.686 42.112 -1.426 25663 6195 1 12 . 1 1 91 91 TYR H H 91 8.421 8.421 8.496 -0.075 25663 6196 1 12 . 1 1 92 92 CYS N N 92 119.931 119.931 118.563 1.368 25663 6197 1 12 . 1 1 92 92 CYS HA H 92 5.263 5.263 4.821 0.442 25663 6198 1 12 . 1 1 92 92 CYS C C 92 172.698 172.698 172.452 0.246 25663 6199 1 12 . 1 1 92 92 CYS CA C 92 50.601 50.601 57.511 -6.910 25663 6200 1 12 . 1 1 92 92 CYS CB C 92 37.818 37.818 30.746 7.072 25663 6201 1 12 . 1 1 92 92 CYS H H 92 8.459 8.459 8.985 -0.526 25663 6202 1 12 . 1 1 93 93 TYR N N 93 120.805 120.805 121.862 -1.057 25663 6203 1 12 . 1 1 93 93 TYR HA H 93 4.903 4.903 4.818 0.085 25663 6204 1 12 . 1 1 93 93 TYR C C 93 173.902 173.902 172.999 0.903 25663 6205 1 12 . 1 1 93 93 TYR CA C 93 57.096 57.096 58.050 -0.954 25663 6206 1 12 . 1 1 93 93 TYR CB C 93 41.665 41.665 40.844 0.821 25663 6207 1 12 . 1 1 93 93 TYR H H 93 9.410 9.410 8.617 0.793 25663 6208 1 12 . 1 1 94 94 ASN N N 94 124.511 124.511 125.285 -0.774 25663 6209 1 12 . 1 1 94 94 ASN HA H 94 4.774 4.774 5.128 -0.354 25663 6210 1 12 . 1 1 94 94 ASN CA C 94 49.599 49.599 51.347 -1.748 25663 6211 1 12 . 1 1 94 94 ASN CB C 94 41.642 41.642 42.178 -0.536 25663 6212 1 12 . 1 1 94 94 ASN H H 94 7.832 7.832 7.830 0.002 25663 6213 1 12 . 1 1 95 95 PRO HA H 95 4.141 4.141 4.307 -0.166 25663 6214 1 12 . 1 1 95 95 PRO C C 95 176.345 176.345 175.482 0.863 25663 6215 1 12 . 1 1 95 95 PRO CA C 95 63.800 63.800 64.643 -0.843 25663 6216 1 12 . 1 1 95 95 PRO CB C 95 32.046 32.046 31.844 0.202 25663 6217 1 12 . 1 1 96 96 HIS N N 96 116.009 116.009 113.745 2.264 25663 6218 1 12 . 1 1 96 96 HIS HA H 96 4.623 4.623 4.459 0.164 25663 6219 1 12 . 1 1 96 96 HIS C C 96 173.999 173.999 174.417 -0.418 25663 6220 1 12 . 1 1 96 96 HIS CA C 96 55.046 55.046 55.326 -0.280 25663 6221 1 12 . 1 1 96 96 HIS CB C 96 28.821 28.821 30.529 -1.708 25663 6222 1 12 . 1 1 96 96 HIS H H 96 8.354 8.354 7.765 0.589 25663 6223 1 12 . 1 1 97 97 ALA N N 97 123.775 123.775 124.282 -0.507 25663 6224 1 12 . 1 1 97 97 ALA HA H 97 4.269 4.269 3.649 0.620 25663 6225 1 12 . 1 1 97 97 ALA C C 97 176.350 176.350 176.953 -0.603 25663 6226 1 12 . 1 1 97 97 ALA CA C 97 51.796 51.796 53.836 -2.040 25663 6227 1 12 . 1 1 97 97 ALA CB C 97 19.648 19.648 17.776 1.872 25663 6228 1 12 . 1 1 97 97 ALA H H 97 7.387 7.387 7.614 -0.227 25663 6229 1 13 . 1 1 2 2 VAL N N 2 122.742 122.742 120.452 2.290 25663 6230 1 13 . 1 1 2 2 VAL HA H 2 5.257 5.257 4.097 1.160 25663 6231 1 13 . 1 1 2 2 VAL C C 2 174.533 174.533 175.190 -0.657 25663 6232 1 13 . 1 1 2 2 VAL CA C 2 60.536 60.536 62.311 -1.775 25663 6233 1 13 . 1 1 2 2 VAL CB C 2 33.278 33.278 32.304 0.974 25663 6234 1 13 . 1 1 2 2 VAL H H 2 8.486 8.486 7.441 1.045 25663 6235 1 13 . 1 1 3 3 TYR N N 3 120.172 120.172 125.461 -5.289 25663 6236 1 13 . 1 1 3 3 TYR HA H 3 4.964 4.964 4.841 0.123 25663 6237 1 13 . 1 1 3 3 TYR C C 3 173.399 173.399 174.410 -1.011 25663 6238 1 13 . 1 1 3 3 TYR CA C 3 56.073 56.073 56.676 -0.603 25663 6239 1 13 . 1 1 3 3 TYR CB C 3 40.278 40.278 41.704 -1.426 25663 6240 1 13 . 1 1 3 3 TYR H H 3 8.715 8.715 8.801 -0.086 25663 6241 1 13 . 1 1 4 4 HIS N N 4 121.237 121.237 123.572 -2.335 25663 6242 1 13 . 1 1 4 4 HIS HA H 4 4.929 4.929 4.779 0.150 25663 6243 1 13 . 1 1 4 4 HIS C C 4 172.844 172.844 173.899 -1.055 25663 6244 1 13 . 1 1 4 4 HIS CA C 4 54.154 54.154 55.895 -1.741 25663 6245 1 13 . 1 1 4 4 HIS CB C 4 30.961 30.961 30.267 0.694 25663 6246 1 13 . 1 1 4 4 HIS H H 4 9.414 9.414 7.952 1.462 25663 6247 1 13 . 1 1 5 5 ARG N N 5 128.770 128.770 125.720 3.050 25663 6248 1 13 . 1 1 5 5 ARG HA H 5 4.619 4.619 4.604 0.015 25663 6249 1 13 . 1 1 5 5 ARG C C 5 172.967 172.967 173.889 -0.922 25663 6250 1 13 . 1 1 5 5 ARG CA C 5 53.177 53.177 55.564 -2.387 25663 6251 1 13 . 1 1 5 5 ARG CB C 5 33.832 33.832 33.156 0.676 25663 6252 1 13 . 1 1 5 5 ARG H H 5 8.805 8.805 8.500 0.305 25663 6253 1 13 . 1 1 6 6 GLU N N 6 121.037 121.037 120.976 0.061 25663 6254 1 13 . 1 1 6 6 GLU HA H 6 4.490 4.490 4.424 0.066 25663 6255 1 13 . 1 1 6 6 GLU C C 6 176.264 176.264 174.198 2.066 25663 6256 1 13 . 1 1 6 6 GLU CA C 6 53.336 53.336 55.154 -1.817 25663 6257 1 13 . 1 1 6 6 GLU CB C 6 33.133 33.133 31.820 1.313 25663 6258 1 13 . 1 1 6 6 GLU H H 6 8.232 8.232 8.395 -0.163 25663 6259 1 13 . 1 1 7 7 ALA N N 7 123.438 123.438 122.406 1.032 25663 6260 1 13 . 1 1 7 7 ALA HA H 7 4.215 4.215 4.180 0.035 25663 6261 1 13 . 1 1 7 7 ALA C C 7 178.419 178.419 178.980 -0.561 25663 6262 1 13 . 1 1 7 7 ALA CA C 7 52.182 52.182 52.941 -0.759 25663 6263 1 13 . 1 1 7 7 ALA CB C 7 20.128 20.128 19.189 0.939 25663 6264 1 13 . 1 1 7 7 ALA H H 7 8.756 8.756 8.548 0.208 25663 6265 1 13 . 1 1 8 8 ARG N N 8 122.559 122.559 122.741 -0.182 25663 6266 1 13 . 1 1 8 8 ARG HA H 8 3.998 3.998 4.112 -0.114 25663 6267 1 13 . 1 1 8 8 ARG C C 8 177.448 177.448 176.618 0.830 25663 6268 1 13 . 1 1 8 8 ARG CA C 8 58.660 58.660 58.244 0.416 25663 6269 1 13 . 1 1 8 8 ARG CB C 8 29.406 29.406 30.380 -0.974 25663 6270 1 13 . 1 1 8 8 ARG H H 8 8.945 8.945 8.820 0.125 25663 6271 1 13 . 1 1 9 9 SER N N 9 107.309 107.309 113.070 -5.761 25663 6272 1 13 . 1 1 9 9 SER HA H 9 4.261 4.261 4.650 -0.389 25663 6273 1 13 . 1 1 9 9 SER C C 9 174.411 174.411 173.947 0.464 25663 6274 1 13 . 1 1 9 9 SER CA C 9 58.081 58.081 57.153 0.929 25663 6275 1 13 . 1 1 9 9 SER CB C 9 62.972 62.972 63.864 -0.891 25663 6276 1 13 . 1 1 9 9 SER H H 9 7.445 7.445 8.025 -0.580 25663 6277 1 13 . 1 1 10 10 GLY N N 10 109.574 109.574 108.641 0.933 25663 6278 1 13 . 1 1 10 10 GLY C C 10 171.580 171.580 173.026 -1.446 25663 6279 1 13 . 1 1 10 10 GLY CA C 10 44.036 44.036 45.360 -1.324 25663 6280 1 13 . 1 1 10 10 GLY H H 10 7.379 7.379 7.336 0.043 25663 6281 1 13 . 1 1 11 11 LYS N N 11 121.683 121.683 117.772 3.911 25663 6282 1 13 . 1 1 11 11 LYS HA H 11 3.993 3.993 4.151 -0.158 25663 6283 1 13 . 1 1 11 11 LYS C C 11 175.995 175.995 174.626 1.369 25663 6284 1 13 . 1 1 11 11 LYS CA C 11 57.374 57.374 56.545 0.829 25663 6285 1 13 . 1 1 11 11 LYS CB C 11 34.009 34.009 33.049 0.960 25663 6286 1 13 . 1 1 11 11 LYS H H 11 8.040 8.040 8.056 -0.016 25663 6287 1 13 . 1 1 12 12 TYR N N 12 122.956 122.956 119.040 3.916 25663 6288 1 13 . 1 1 12 12 TYR HA H 12 3.990 3.990 4.660 -0.670 25663 6289 1 13 . 1 1 12 12 TYR C C 12 173.905 173.905 175.436 -1.531 25663 6290 1 13 . 1 1 12 12 TYR CA C 12 54.397 54.397 57.694 -3.297 25663 6291 1 13 . 1 1 12 12 TYR CB C 12 32.105 32.105 37.993 -5.888 25663 6292 1 13 . 1 1 12 12 TYR H H 12 9.830 9.830 7.958 1.872 25663 6293 1 13 . 1 1 13 13 LYS N N 13 114.683 114.683 120.678 -5.995 25663 6294 1 13 . 1 1 13 13 LYS HA H 13 4.577 4.577 4.487 0.090 25663 6295 1 13 . 1 1 13 13 LYS C C 13 176.999 176.999 174.568 2.431 25663 6296 1 13 . 1 1 13 13 LYS CA C 13 55.014 55.014 55.848 -0.834 25663 6297 1 13 . 1 1 13 13 LYS CB C 13 35.021 35.021 33.206 1.815 25663 6298 1 13 . 1 1 13 13 LYS H H 13 8.445 8.445 8.017 0.428 25663 6299 1 13 . 1 1 14 14 LEU N N 14 123.176 123.176 120.958 2.218 25663 6300 1 13 . 1 1 14 14 LEU HA H 14 5.122 5.122 4.930 0.192 25663 6301 1 13 . 1 1 14 14 LEU C C 14 178.304 178.304 175.259 3.045 25663 6302 1 13 . 1 1 14 14 LEU CA C 14 54.800 54.800 54.154 0.646 25663 6303 1 13 . 1 1 14 14 LEU CB C 14 43.528 43.528 45.071 -1.543 25663 6304 1 13 . 1 1 14 14 LEU H H 14 9.479 9.479 7.693 1.786 25663 6305 1 13 . 1 1 15 15 THR N N 15 116.144 116.144 120.968 -4.824 25663 6306 1 13 . 1 1 15 15 THR HA H 15 5.485 5.485 4.807 0.678 25663 6307 1 13 . 1 1 15 15 THR C C 15 174.697 174.697 175.630 -0.933 25663 6308 1 13 . 1 1 15 15 THR CA C 15 61.722 61.722 60.666 1.056 25663 6309 1 13 . 1 1 15 15 THR CB C 15 70.914 70.914 71.001 -0.087 25663 6310 1 13 . 1 1 15 15 THR H H 15 8.792 8.792 7.982 0.810 25663 6311 1 13 . 1 1 16 16 TYR N N 16 120.594 120.594 122.011 -1.417 25663 6312 1 13 . 1 1 16 16 TYR HA H 16 2.375 2.375 4.223 -1.848 25663 6313 1 13 . 1 1 16 16 TYR C C 16 176.133 176.133 177.100 -0.967 25663 6314 1 13 . 1 1 16 16 TYR CA C 16 61.408 61.408 61.913 -0.505 25663 6315 1 13 . 1 1 16 16 TYR CB C 16 36.889 36.889 36.898 -0.009 25663 6316 1 13 . 1 1 16 16 TYR H H 16 7.402 7.402 8.932 -1.530 25663 6317 1 13 . 1 1 17 17 ALA N N 17 118.108 118.108 121.487 -3.379 25663 6318 1 13 . 1 1 17 17 ALA HA H 17 3.509 3.509 3.945 -0.436 25663 6319 1 13 . 1 1 17 17 ALA C C 17 181.575 181.575 179.723 1.852 25663 6320 1 13 . 1 1 17 17 ALA CA C 17 54.732 54.732 54.801 -0.069 25663 6321 1 13 . 1 1 17 17 ALA CB C 17 18.124 18.124 17.930 0.194 25663 6322 1 13 . 1 1 17 17 ALA H H 17 8.545 8.545 7.436 1.109 25663 6323 1 13 . 1 1 18 18 GLU N N 18 117.696 117.696 118.982 -1.286 25663 6324 1 13 . 1 1 18 18 GLU HA H 18 3.879 3.879 4.014 -0.136 25663 6325 1 13 . 1 1 18 18 GLU C C 18 178.624 178.624 178.843 -0.219 25663 6326 1 13 . 1 1 18 18 GLU CA C 18 58.432 58.432 58.907 -0.475 25663 6327 1 13 . 1 1 18 18 GLU CB C 18 30.814 30.814 29.575 1.239 25663 6328 1 13 . 1 1 18 18 GLU H H 18 7.327 7.327 7.520 -0.193 25663 6329 1 13 . 1 1 19 19 ALA N N 19 124.629 124.629 122.271 2.358 25663 6330 1 13 . 1 1 19 19 ALA HA H 19 3.871 3.871 4.071 -0.200 25663 6331 1 13 . 1 1 19 19 ALA C C 19 177.371 177.371 179.663 -2.292 25663 6332 1 13 . 1 1 19 19 ALA CA C 19 54.955 54.955 55.331 -0.376 25663 6333 1 13 . 1 1 19 19 ALA CB C 19 19.893 19.893 18.341 1.552 25663 6334 1 13 . 1 1 19 19 ALA H H 19 8.744 8.744 8.417 0.327 25663 6335 1 13 . 1 1 20 20 LYS N N 20 117.842 117.842 117.131 0.711 25663 6336 1 13 . 1 1 20 20 LYS HA H 20 3.435 3.435 4.157 -0.722 25663 6337 1 13 . 1 1 20 20 LYS C C 20 178.017 178.017 177.296 0.721 25663 6338 1 13 . 1 1 20 20 LYS CA C 20 60.086 60.086 58.799 1.287 25663 6339 1 13 . 1 1 20 20 LYS CB C 20 33.186 33.186 32.640 0.546 25663 6340 1 13 . 1 1 20 20 LYS H H 20 8.188 8.188 8.301 -0.113 25663 6341 1 13 . 1 1 21 21 ALA N N 21 117.564 117.564 120.893 -3.329 25663 6342 1 13 . 1 1 21 21 ALA HA H 21 4.040 4.040 4.209 -0.169 25663 6343 1 13 . 1 1 21 21 ALA C C 21 180.598 180.598 179.499 1.099 25663 6344 1 13 . 1 1 21 21 ALA CA C 21 54.991 54.991 54.651 0.340 25663 6345 1 13 . 1 1 21 21 ALA CB C 21 18.071 18.071 18.875 -0.804 25663 6346 1 13 . 1 1 21 21 ALA H H 21 7.382 7.382 7.294 0.088 25663 6347 1 13 . 1 1 22 22 VAL N N 22 120.351 120.351 112.125 8.226 25663 6348 1 13 . 1 1 22 22 VAL HA H 22 3.883 3.883 3.838 0.045 25663 6349 1 13 . 1 1 22 22 VAL C C 22 177.921 177.921 176.756 1.165 25663 6350 1 13 . 1 1 22 22 VAL CA C 22 66.242 66.242 64.982 1.260 25663 6351 1 13 . 1 1 22 22 VAL CB C 22 31.136 31.136 31.913 -0.777 25663 6352 1 13 . 1 1 22 22 VAL H H 22 8.203 8.203 7.778 0.425 25663 6353 1 13 . 1 1 23 23 CYS N N 23 116.368 116.368 117.604 -1.236 25663 6354 1 13 . 1 1 23 23 CYS HA H 23 4.352 4.352 4.602 -0.250 25663 6355 1 13 . 1 1 23 23 CYS C C 23 178.687 178.687 174.299 4.388 25663 6356 1 13 . 1 1 23 23 CYS CA C 23 55.224 55.224 58.743 -3.519 25663 6357 1 13 . 1 1 23 23 CYS CB C 23 33.542 33.542 28.599 4.942 25663 6358 1 13 . 1 1 23 23 CYS H H 23 7.788 7.788 7.950 -0.162 25663 6359 1 13 . 1 1 24 24 GLU N N 24 120.341 120.341 119.896 0.445 25663 6360 1 13 . 1 1 24 24 GLU HA H 24 4.259 4.259 4.048 0.211 25663 6361 1 13 . 1 1 24 24 GLU C C 24 180.516 180.516 178.036 2.480 25663 6362 1 13 . 1 1 24 24 GLU CA C 24 58.412 58.412 58.838 -0.426 25663 6363 1 13 . 1 1 24 24 GLU CB C 24 28.855 28.855 29.237 -0.382 25663 6364 1 13 . 1 1 24 24 GLU H H 24 8.196 8.196 8.937 -0.741 25663 6365 1 13 . 1 1 25 25 PHE N N 25 124.937 124.937 119.487 5.450 25663 6366 1 13 . 1 1 25 25 PHE HA H 25 4.267 4.267 4.220 0.047 25663 6367 1 13 . 1 1 25 25 PHE C C 25 177.593 177.593 176.297 1.296 25663 6368 1 13 . 1 1 25 25 PHE CA C 25 60.845 60.845 60.978 -0.133 25663 6369 1 13 . 1 1 25 25 PHE CB C 25 39.035 39.035 39.311 -0.276 25663 6370 1 13 . 1 1 25 25 PHE H H 25 8.946 8.946 8.444 0.502 25663 6371 1 13 . 1 1 26 26 GLU N N 26 114.486 114.486 118.391 -3.905 25663 6372 1 13 . 1 1 26 26 GLU HA H 26 4.090 4.090 4.231 -0.141 25663 6373 1 13 . 1 1 26 26 GLU C C 26 175.712 175.712 177.326 -1.614 25663 6374 1 13 . 1 1 26 26 GLU CA C 26 56.249 56.249 56.231 0.018 25663 6375 1 13 . 1 1 26 26 GLU CB C 26 29.418 29.418 28.965 0.453 25663 6376 1 13 . 1 1 26 26 GLU H H 26 7.359 7.359 8.396 -1.037 25663 6377 1 13 . 1 1 27 27 GLY N N 27 106.503 106.503 107.876 -1.373 25663 6378 1 13 . 1 1 27 27 GLY C C 27 174.107 174.107 174.858 -0.751 25663 6379 1 13 . 1 1 27 27 GLY CA C 27 45.426 45.426 45.228 0.198 25663 6380 1 13 . 1 1 27 27 GLY H H 27 7.695 7.695 7.864 -0.169 25663 6381 1 13 . 1 1 28 28 GLY N N 28 109.515 109.515 108.629 0.886 25663 6382 1 13 . 1 1 28 28 GLY C C 28 172.079 172.079 173.345 -1.266 25663 6383 1 13 . 1 1 28 28 GLY CA C 28 43.788 43.788 44.041 -0.253 25663 6384 1 13 . 1 1 28 28 GLY H H 28 7.745 7.745 8.135 -0.390 25663 6385 1 13 . 1 1 29 29 HIS N N 29 116.220 116.220 117.421 -1.201 25663 6386 1 13 . 1 1 29 29 HIS HA H 29 4.865 4.865 4.714 0.151 25663 6387 1 13 . 1 1 29 29 HIS C C 29 174.118 174.118 173.458 0.660 25663 6388 1 13 . 1 1 29 29 HIS CA C 29 54.169 54.169 54.710 -0.541 25663 6389 1 13 . 1 1 29 29 HIS CB C 29 33.436 33.436 32.414 1.022 25663 6390 1 13 . 1 1 29 29 HIS H H 29 8.412 8.412 8.405 0.007 25663 6391 1 13 . 1 1 30 30 LEU N N 30 124.046 124.046 123.941 0.105 25663 6392 1 13 . 1 1 30 30 LEU HA H 30 4.912 4.912 4.307 0.605 25663 6393 1 13 . 1 1 30 30 LEU C C 30 178.158 178.158 177.367 0.791 25663 6394 1 13 . 1 1 30 30 LEU CA C 30 56.817 56.817 55.487 1.330 25663 6395 1 13 . 1 1 30 30 LEU CB C 30 42.534 42.534 42.282 0.252 25663 6396 1 13 . 1 1 30 30 LEU H H 30 9.399 9.399 8.552 0.847 25663 6397 1 13 . 1 1 31 31 ALA N N 31 126.730 126.730 125.432 1.298 25663 6398 1 13 . 1 1 31 31 ALA HA H 31 4.403 4.403 4.093 0.310 25663 6399 1 13 . 1 1 31 31 ALA C C 31 176.879 176.879 177.506 -0.627 25663 6400 1 13 . 1 1 31 31 ALA CA C 31 52.006 52.006 52.420 -0.414 25663 6401 1 13 . 1 1 31 31 ALA CB C 31 19.593 19.593 18.681 0.912 25663 6402 1 13 . 1 1 31 31 ALA H H 31 9.331 9.331 8.225 1.106 25663 6403 1 13 . 1 1 32 32 THR N N 32 111.206 111.206 118.531 -7.325 25663 6404 1 13 . 1 1 32 32 THR HA H 32 4.528 4.528 4.281 0.247 25663 6405 1 13 . 1 1 32 32 THR C C 32 174.899 174.899 175.278 -0.379 25663 6406 1 13 . 1 1 32 32 THR CA C 32 59.818 59.818 61.772 -1.954 25663 6407 1 13 . 1 1 32 32 THR CB C 32 70.949 70.949 70.225 0.724 25663 6408 1 13 . 1 1 32 32 THR H H 32 8.511 8.511 7.965 0.546 25663 6409 1 13 . 1 1 33 33 TYR N N 33 121.971 121.971 125.814 -3.843 25663 6410 1 13 . 1 1 33 33 TYR HA H 33 3.745 3.745 4.044 -0.299 25663 6411 1 13 . 1 1 33 33 TYR C C 33 176.176 176.176 177.297 -1.121 25663 6412 1 13 . 1 1 33 33 TYR CA C 33 62.320 62.320 61.319 1.001 25663 6413 1 13 . 1 1 33 33 TYR CB C 33 38.737 38.737 37.760 0.977 25663 6414 1 13 . 1 1 33 33 TYR H H 33 8.623 8.623 8.929 -0.306 25663 6415 1 13 . 1 1 34 34 LYS N N 34 116.509 116.509 118.593 -2.084 25663 6416 1 13 . 1 1 34 34 LYS HA H 34 3.905 3.905 3.582 0.323 25663 6417 1 13 . 1 1 34 34 LYS C C 34 180.207 180.207 178.925 1.282 25663 6418 1 13 . 1 1 34 34 LYS CA C 34 59.854 59.854 58.949 0.905 25663 6419 1 13 . 1 1 34 34 LYS CB C 34 32.743 32.743 31.046 1.697 25663 6420 1 13 . 1 1 34 34 LYS H H 34 8.284 8.284 6.891 1.393 25663 6421 1 13 . 1 1 35 35 GLN N N 35 119.270 119.270 118.970 0.300 25663 6422 1 13 . 1 1 35 35 GLN HA H 35 3.822 3.822 4.040 -0.218 25663 6423 1 13 . 1 1 35 35 GLN C C 35 179.050 179.050 178.180 0.870 25663 6424 1 13 . 1 1 35 35 GLN CA C 35 58.402 58.402 58.129 0.273 25663 6425 1 13 . 1 1 35 35 GLN CB C 35 26.715 26.715 28.058 -1.343 25663 6426 1 13 . 1 1 35 35 GLN H H 35 7.747 7.747 8.094 -0.347 25663 6427 1 13 . 1 1 36 36 LEU N N 36 122.992 122.992 120.904 2.088 25663 6428 1 13 . 1 1 36 36 LEU HA H 36 3.891 3.891 3.915 -0.024 25663 6429 1 13 . 1 1 36 36 LEU C C 36 177.812 177.812 177.954 -0.142 25663 6430 1 13 . 1 1 36 36 LEU CA C 36 58.166 58.166 57.287 0.879 25663 6431 1 13 . 1 1 36 36 LEU CB C 36 41.981 41.981 41.743 0.238 25663 6432 1 13 . 1 1 36 36 LEU H H 36 8.473 8.473 8.417 0.056 25663 6433 1 13 . 1 1 37 37 GLU N N 37 120.512 120.512 119.585 0.927 25663 6434 1 13 . 1 1 37 37 GLU HA H 37 4.244 4.244 3.934 0.310 25663 6435 1 13 . 1 1 37 37 GLU C C 37 177.984 177.984 178.094 -0.110 25663 6436 1 13 . 1 1 37 37 GLU CA C 37 58.018 58.018 59.211 -1.193 25663 6437 1 13 . 1 1 37 37 GLU CB C 37 28.236 28.236 29.091 -0.855 25663 6438 1 13 . 1 1 37 37 GLU H H 37 8.526 8.526 7.626 0.900 25663 6439 1 13 . 1 1 38 38 ALA N N 38 121.256 121.256 120.738 0.518 25663 6440 1 13 . 1 1 38 38 ALA HA H 38 3.995 3.995 4.145 -0.150 25663 6441 1 13 . 1 1 38 38 ALA C C 38 180.513 180.513 178.568 1.945 25663 6442 1 13 . 1 1 38 38 ALA CA C 38 54.968 54.968 54.519 0.449 25663 6443 1 13 . 1 1 38 38 ALA CB C 38 17.792 17.792 18.260 -0.468 25663 6444 1 13 . 1 1 38 38 ALA H H 38 7.806 7.806 7.637 0.169 25663 6445 1 13 . 1 1 39 39 ALA N N 39 120.185 120.185 120.284 -0.099 25663 6446 1 13 . 1 1 39 39 ALA HA H 39 4.164 4.164 4.231 -0.067 25663 6447 1 13 . 1 1 39 39 ALA C C 39 180.063 180.063 180.377 -0.314 25663 6448 1 13 . 1 1 39 39 ALA CA C 39 54.064 54.064 54.108 -0.044 25663 6449 1 13 . 1 1 39 39 ALA CB C 39 17.883 17.883 18.741 -0.858 25663 6450 1 13 . 1 1 39 39 ALA H H 39 7.495 7.495 7.673 -0.178 25663 6451 1 13 . 1 1 40 40 ARG N N 40 124.604 124.604 118.601 6.003 25663 6452 1 13 . 1 1 40 40 ARG HA H 40 4.658 4.658 4.453 0.205 25663 6453 1 13 . 1 1 40 40 ARG C C 40 180.610 180.610 179.263 1.347 25663 6454 1 13 . 1 1 40 40 ARG CA C 40 58.559 58.559 57.913 0.646 25663 6455 1 13 . 1 1 40 40 ARG CB C 40 30.707 30.707 29.498 1.208 25663 6456 1 13 . 1 1 40 40 ARG H H 40 8.789 8.789 7.850 0.939 25663 6457 1 13 . 1 1 41 41 LYS N N 41 117.810 117.810 119.447 -1.637 25663 6458 1 13 . 1 1 41 41 LYS HA H 41 3.925 3.925 4.237 -0.312 25663 6459 1 13 . 1 1 41 41 LYS C C 41 178.134 178.134 177.603 0.531 25663 6460 1 13 . 1 1 41 41 LYS CA C 41 59.409 59.409 58.479 0.930 25663 6461 1 13 . 1 1 41 41 LYS CB C 41 32.786 32.786 32.329 0.457 25663 6462 1 13 . 1 1 41 41 LYS H H 41 8.267 8.267 7.837 0.430 25663 6463 1 13 . 1 1 42 42 ILE N N 42 110.889 110.889 118.278 -7.389 25663 6464 1 13 . 1 1 42 42 ILE HA H 42 4.581 4.581 4.215 0.366 25663 6465 1 13 . 1 1 42 42 ILE C C 42 176.527 176.527 176.217 0.310 25663 6466 1 13 . 1 1 42 42 ILE CA C 42 60.751 60.751 61.370 -0.619 25663 6467 1 13 . 1 1 42 42 ILE CB C 42 37.739 37.739 38.247 -0.508 25663 6468 1 13 . 1 1 42 42 ILE H H 42 7.263 7.263 7.959 -0.696 25663 6469 1 13 . 1 1 43 43 GLY N N 43 108.366 108.366 108.769 -0.403 25663 6470 1 13 . 1 1 43 43 GLY C C 43 173.880 173.880 174.330 -0.450 25663 6471 1 13 . 1 1 43 43 GLY CA C 43 45.585 45.585 44.843 0.742 25663 6472 1 13 . 1 1 43 43 GLY H H 43 7.816 7.816 7.508 0.308 25663 6473 1 13 . 1 1 44 44 PHE N N 44 125.650 125.650 122.420 3.230 25663 6474 1 13 . 1 1 44 44 PHE HA H 44 4.510 4.510 4.455 0.055 25663 6475 1 13 . 1 1 44 44 PHE C C 44 171.183 171.183 174.132 -2.949 25663 6476 1 13 . 1 1 44 44 PHE CA C 44 59.012 59.012 58.838 0.174 25663 6477 1 13 . 1 1 44 44 PHE CB C 44 39.986 39.986 40.331 -0.345 25663 6478 1 13 . 1 1 44 44 PHE H H 44 8.003 8.003 7.755 0.248 25663 6479 1 13 . 1 1 45 45 HIS N N 45 126.999 126.999 127.148 -0.149 25663 6480 1 13 . 1 1 45 45 HIS HA H 45 4.728 4.728 4.574 0.154 25663 6481 1 13 . 1 1 45 45 HIS C C 45 175.134 175.134 173.163 1.971 25663 6482 1 13 . 1 1 45 45 HIS CA C 45 55.539 55.539 55.312 0.227 25663 6483 1 13 . 1 1 45 45 HIS CB C 45 34.586 34.586 31.789 2.797 25663 6484 1 13 . 1 1 45 45 HIS H H 45 7.326 7.326 7.968 -0.642 25663 6485 1 13 . 1 1 46 46 VAL N N 46 126.425 126.425 121.852 4.573 25663 6486 1 13 . 1 1 46 46 VAL HA H 46 3.665 3.665 4.111 -0.446 25663 6487 1 13 . 1 1 46 46 VAL CA C 46 61.647 61.647 60.480 1.167 25663 6488 1 13 . 1 1 46 46 VAL CB C 46 35.141 35.141 34.557 0.584 25663 6489 1 13 . 1 1 46 46 VAL H H 46 8.147 8.147 7.287 0.860 25663 6490 1 13 . 1 1 47 47 CYS N N 47 127.308 127.308 127.519 -0.211 25663 6491 1 13 . 1 1 47 47 CYS HA H 47 4.470 4.470 4.560 -0.090 25663 6492 1 13 . 1 1 47 47 CYS C C 47 172.533 172.533 173.983 -1.450 25663 6493 1 13 . 1 1 47 47 CYS CA C 47 55.259 55.259 58.483 -3.224 25663 6494 1 13 . 1 1 47 47 CYS CB C 47 44.867 44.867 24.967 19.900 25663 6495 1 13 . 1 1 47 47 CYS H H 47 8.675 8.675 8.780 -0.105 25663 6496 1 13 . 1 1 48 48 ALA N N 48 120.376 120.376 130.692 -10.316 25663 6497 1 13 . 1 1 48 48 ALA HA H 48 4.278 4.278 4.586 -0.308 25663 6498 1 13 . 1 1 48 48 ALA C C 48 173.936 173.936 175.166 -1.230 25663 6499 1 13 . 1 1 48 48 ALA CA C 48 51.286 51.286 52.297 -1.011 25663 6500 1 13 . 1 1 48 48 ALA CB C 48 19.831 19.831 20.677 -0.846 25663 6501 1 13 . 1 1 48 48 ALA H H 48 6.500 6.500 7.895 -1.395 25663 6502 1 13 . 1 1 49 49 ALA N N 49 130.715 130.715 125.106 5.609 25663 6503 1 13 . 1 1 49 49 ALA HA H 49 3.834 3.834 5.053 -1.219 25663 6504 1 13 . 1 1 49 49 ALA C C 49 176.061 176.061 177.018 -0.957 25663 6505 1 13 . 1 1 49 49 ALA CA C 49 53.466 53.466 51.410 2.056 25663 6506 1 13 . 1 1 49 49 ALA CB C 49 18.332 18.332 19.962 -1.629 25663 6507 1 13 . 1 1 49 49 ALA H H 49 8.424 8.424 8.229 0.195 25663 6508 1 13 . 1 1 50 50 GLY N N 50 107.085 107.085 109.930 -2.845 25663 6509 1 13 . 1 1 50 50 GLY C C 50 170.793 170.793 172.395 -1.602 25663 6510 1 13 . 1 1 50 50 GLY CA C 50 43.792 43.792 44.503 -0.711 25663 6511 1 13 . 1 1 50 50 GLY H H 50 8.746 8.746 7.815 0.931 25663 6512 1 13 . 1 1 51 51 TRP N N 51 121.565 121.565 122.923 -1.358 25663 6513 1 13 . 1 1 51 51 TRP HA H 51 4.960 4.960 4.612 0.348 25663 6514 1 13 . 1 1 51 51 TRP C C 51 174.095 174.095 176.247 -2.152 25663 6515 1 13 . 1 1 51 51 TRP CA C 51 58.852 58.852 57.822 1.030 25663 6516 1 13 . 1 1 51 51 TRP CB C 51 32.034 32.034 29.067 2.967 25663 6517 1 13 . 1 1 51 51 TRP H H 51 8.596 8.596 7.904 0.692 25663 6518 1 13 . 1 1 52 52 MET N N 52 118.713 118.713 124.008 -5.295 25663 6519 1 13 . 1 1 52 52 MET HA H 52 4.945 4.945 4.802 0.143 25663 6520 1 13 . 1 1 52 52 MET C C 52 174.575 174.575 176.155 -1.580 25663 6521 1 13 . 1 1 52 52 MET CA C 52 54.277 54.277 54.273 0.004 25663 6522 1 13 . 1 1 52 52 MET CB C 52 39.146 39.146 35.208 3.938 25663 6523 1 13 . 1 1 52 52 MET H H 52 9.116 9.116 8.691 0.425 25663 6524 1 13 . 1 1 53 53 ALA N N 53 120.116 120.116 120.304 -0.188 25663 6525 1 13 . 1 1 53 53 ALA HA H 53 4.186 4.186 4.203 -0.017 25663 6526 1 13 . 1 1 53 53 ALA C C 53 178.250 178.250 178.549 -0.299 25663 6527 1 13 . 1 1 53 53 ALA CA C 53 53.791 53.791 53.537 0.254 25663 6528 1 13 . 1 1 53 53 ALA CB C 53 19.462 19.462 19.328 0.134 25663 6529 1 13 . 1 1 53 53 ALA H H 53 8.517 8.517 8.424 0.093 25663 6530 1 13 . 1 1 54 54 LYS N N 54 112.641 112.641 119.088 -6.447 25663 6531 1 13 . 1 1 54 54 LYS HA H 54 3.857 3.857 3.913 -0.056 25663 6532 1 13 . 1 1 54 54 LYS C C 54 175.913 175.913 176.946 -1.033 25663 6533 1 13 . 1 1 54 54 LYS CA C 54 57.608 57.608 56.903 0.705 25663 6534 1 13 . 1 1 54 54 LYS CB C 54 29.796 29.796 30.571 -0.775 25663 6535 1 13 . 1 1 54 54 LYS H H 54 8.866 8.866 9.158 -0.292 25663 6536 1 13 . 1 1 55 55 GLY N N 55 104.227 104.227 103.479 0.748 25663 6537 1 13 . 1 1 55 55 GLY C C 55 173.820 173.820 174.810 -0.990 25663 6538 1 13 . 1 1 55 55 GLY CA C 55 45.933 45.933 45.764 0.169 25663 6539 1 13 . 1 1 55 55 GLY H H 55 8.239 8.239 8.585 -0.346 25663 6540 1 13 . 1 1 56 56 ARG N N 56 122.045 122.045 119.952 2.093 25663 6541 1 13 . 1 1 56 56 ARG HA H 56 4.771 4.771 4.406 0.365 25663 6542 1 13 . 1 1 56 56 ARG C C 56 173.828 173.828 174.656 -0.828 25663 6543 1 13 . 1 1 56 56 ARG CA C 56 55.010 55.010 56.946 -1.936 25663 6544 1 13 . 1 1 56 56 ARG CB C 56 31.939 31.939 32.132 -0.193 25663 6545 1 13 . 1 1 56 56 ARG H H 56 6.825 6.825 7.771 -0.946 25663 6546 1 13 . 1 1 57 57 VAL N N 57 122.581 122.581 121.093 1.488 25663 6547 1 13 . 1 1 57 57 VAL HA H 57 4.632 4.632 5.029 -0.397 25663 6548 1 13 . 1 1 57 57 VAL C C 57 173.775 173.775 174.148 -0.373 25663 6549 1 13 . 1 1 57 57 VAL CA C 57 59.946 59.946 59.766 0.180 25663 6550 1 13 . 1 1 57 57 VAL CB C 57 35.191 35.191 35.650 -0.459 25663 6551 1 13 . 1 1 57 57 VAL H H 57 7.084 7.084 8.235 -1.151 25663 6552 1 13 . 1 1 58 58 GLY N N 58 112.994 112.994 113.848 -0.854 25663 6553 1 13 . 1 1 58 58 GLY C C 58 171.431 171.431 171.574 -0.143 25663 6554 1 13 . 1 1 58 58 GLY CA C 58 46.285 46.285 44.708 1.577 25663 6555 1 13 . 1 1 58 58 GLY H H 58 8.112 8.112 7.842 0.270 25663 6556 1 13 . 1 1 59 59 TYR N N 59 111.540 111.540 115.478 -3.938 25663 6557 1 13 . 1 1 59 59 TYR HA H 59 4.337 4.337 5.117 -0.780 25663 6558 1 13 . 1 1 59 59 TYR CA C 59 55.972 55.972 53.637 2.335 25663 6559 1 13 . 1 1 59 59 TYR CB C 59 34.363 34.363 39.680 -5.317 25663 6560 1 13 . 1 1 59 59 TYR H H 59 7.796 7.796 7.840 -0.044 25663 6561 1 13 . 1 1 60 60 PRO HA H 60 4.497 4.497 4.656 -0.159 25663 6562 1 13 . 1 1 60 60 PRO CA C 60 62.231 62.231 63.208 -0.977 25663 6563 1 13 . 1 1 60 60 PRO CB C 60 33.314 33.314 31.763 1.551 25663 6564 1 13 . 1 1 61 61 ILE HA H 61 4.444 4.444 4.425 0.019 25663 6565 1 13 . 1 1 61 61 ILE CA C 61 56.601 56.601 60.338 -3.737 25663 6566 1 13 . 1 1 61 61 ILE CB C 61 38.417 38.417 38.656 -0.239 25663 6567 1 13 . 1 1 62 62 VAL HA H 62 3.935 3.935 3.852 0.083 25663 6568 1 13 . 1 1 62 62 VAL CA C 62 64.377 64.377 65.124 -0.747 25663 6569 1 13 . 1 1 62 62 VAL CB C 62 34.087 34.087 31.710 2.377 25663 6570 1 13 . 1 1 62 62 VAL H H 62 11.229 11.229 8.796 2.433 25663 6571 1 13 . 1 1 63 63 LYS N N 63 122.578 122.578 115.629 6.949 25663 6572 1 13 . 1 1 63 63 LYS HA H 63 4.753 4.753 4.738 0.015 25663 6573 1 13 . 1 1 63 63 LYS CA C 63 52.473 52.473 52.464 0.009 25663 6574 1 13 . 1 1 63 63 LYS CB C 63 32.983 32.983 33.016 -0.033 25663 6575 1 13 . 1 1 63 63 LYS H H 63 7.501 7.501 7.614 -0.113 25663 6576 1 13 . 1 1 64 64 PRO HA H 64 4.362 4.362 4.372 -0.010 25663 6577 1 13 . 1 1 64 64 PRO CA C 64 63.124 63.124 62.985 0.139 25663 6578 1 13 . 1 1 64 64 PRO CB C 64 32.121 32.121 32.187 -0.066 25663 6579 1 13 . 1 1 65 65 GLY CA C 65 45.512 45.512 43.685 1.827 25663 6580 1 13 . 1 1 65 65 GLY H H 65 8.377 8.377 8.176 0.201 25663 6581 1 13 . 1 1 66 66 PRO HA H 66 4.010 4.010 4.352 -0.342 25663 6582 1 13 . 1 1 66 66 PRO C C 66 177.072 177.072 176.961 0.111 25663 6583 1 13 . 1 1 66 66 PRO CA C 66 64.765 64.765 64.088 0.677 25663 6584 1 13 . 1 1 66 66 PRO CB C 66 32.121 32.121 32.435 -0.315 25663 6585 1 13 . 1 1 67 67 ASN N N 67 114.419 114.419 117.250 -2.831 25663 6586 1 13 . 1 1 67 67 ASN HA H 67 4.995 4.995 4.575 0.420 25663 6587 1 13 . 1 1 67 67 ASN C C 67 173.872 173.872 175.222 -1.350 25663 6588 1 13 . 1 1 67 67 ASN CA C 67 52.349 52.349 53.355 -1.006 25663 6589 1 13 . 1 1 67 67 ASN CB C 67 38.955 38.955 38.501 0.454 25663 6590 1 13 . 1 1 67 67 ASN H H 67 8.330 8.330 8.391 -0.061 25663 6591 1 13 . 1 1 68 68 CYS N N 68 118.995 118.995 118.013 0.982 25663 6592 1 13 . 1 1 68 68 CYS HA H 68 5.034 5.034 4.511 0.523 25663 6593 1 13 . 1 1 68 68 CYS CA C 68 54.247 54.247 57.287 -3.040 25663 6594 1 13 . 1 1 68 68 CYS CB C 68 44.260 44.260 28.232 16.028 25663 6595 1 13 . 1 1 68 68 CYS H H 68 7.327 7.327 7.667 -0.340 25663 6596 1 13 . 1 1 70 70 PHE HA H 70 4.305 4.305 4.469 -0.164 25663 6597 1 13 . 1 1 70 70 PHE CA C 70 58.889 58.889 59.584 -0.695 25663 6598 1 13 . 1 1 70 70 PHE CB C 70 36.557 36.557 39.595 -3.038 25663 6599 1 13 . 1 1 71 71 GLY N N 71 105.368 105.368 111.450 -6.082 25663 6600 1 13 . 1 1 71 71 GLY CA C 71 46.043 46.043 45.084 0.959 25663 6601 1 13 . 1 1 71 71 GLY H H 71 7.339 7.339 7.775 -0.436 25663 6602 1 13 . 1 1 72 72 LYS N N 72 120.404 120.404 121.057 -0.653 25663 6603 1 13 . 1 1 72 72 LYS HA H 72 4.264 4.264 4.182 0.082 25663 6604 1 13 . 1 1 72 72 LYS C C 72 175.440 175.440 175.762 -0.322 25663 6605 1 13 . 1 1 72 72 LYS CA C 72 56.413 56.413 58.252 -1.839 25663 6606 1 13 . 1 1 72 72 LYS CB C 72 33.686 33.686 32.841 0.845 25663 6607 1 13 . 1 1 72 72 LYS H H 72 6.946 6.946 8.538 -1.592 25663 6608 1 13 . 1 1 73 73 THR N N 73 110.334 110.334 105.036 5.298 25663 6609 1 13 . 1 1 73 73 THR HA H 73 4.233 4.233 4.999 -0.766 25663 6610 1 13 . 1 1 73 73 THR C C 73 173.774 173.774 174.562 -0.788 25663 6611 1 13 . 1 1 73 73 THR CA C 73 60.879 60.879 59.636 1.243 25663 6612 1 13 . 1 1 73 73 THR CB C 73 70.841 70.841 72.205 -1.364 25663 6613 1 13 . 1 1 73 73 THR H H 73 7.911 7.911 7.466 0.445 25663 6614 1 13 . 1 1 74 74 GLY N N 74 109.589 109.589 107.722 1.867 25663 6615 1 13 . 1 1 74 74 GLY C C 74 172.715 172.715 174.311 -1.596 25663 6616 1 13 . 1 1 74 74 GLY CA C 74 43.404 43.404 43.848 -0.444 25663 6617 1 13 . 1 1 74 74 GLY H H 74 7.904 7.904 8.000 -0.096 25663 6618 1 13 . 1 1 75 75 ILE N N 75 120.787 120.787 114.963 5.824 25663 6619 1 13 . 1 1 75 75 ILE HA H 75 4.221 4.221 3.546 0.675 25663 6620 1 13 . 1 1 75 75 ILE C C 75 176.249 176.249 175.781 0.468 25663 6621 1 13 . 1 1 75 75 ILE CA C 75 59.422 59.422 62.759 -3.337 25663 6622 1 13 . 1 1 75 75 ILE CB C 75 36.008 36.008 36.837 -0.829 25663 6623 1 13 . 1 1 75 75 ILE H H 75 8.265 8.265 7.577 0.688 25663 6624 1 13 . 1 1 76 76 ILE N N 76 134.542 134.542 120.050 14.492 25663 6625 1 13 . 1 1 76 76 ILE HA H 76 3.587 3.587 3.657 -0.070 25663 6626 1 13 . 1 1 76 76 ILE C C 76 173.769 173.769 174.217 -0.448 25663 6627 1 13 . 1 1 76 76 ILE CA C 76 59.599 59.599 61.247 -1.648 25663 6628 1 13 . 1 1 76 76 ILE CB C 76 33.139 33.139 35.020 -1.881 25663 6629 1 13 . 1 1 76 76 ILE H H 76 8.660 8.660 7.405 1.255 25663 6630 1 13 . 1 1 77 77 ASP N N 77 126.213 126.213 122.392 3.821 25663 6631 1 13 . 1 1 77 77 ASP HA H 77 4.790 4.790 4.597 0.193 25663 6632 1 13 . 1 1 77 77 ASP C C 77 176.390 176.390 175.388 1.002 25663 6633 1 13 . 1 1 77 77 ASP CA C 77 52.927 52.927 52.991 -0.064 25663 6634 1 13 . 1 1 77 77 ASP CB C 77 44.224 44.224 41.623 2.601 25663 6635 1 13 . 1 1 77 77 ASP H H 77 7.925 7.925 7.837 0.088 25663 6636 1 13 . 1 1 78 78 TYR N N 78 126.424 126.424 121.772 4.652 25663 6637 1 13 . 1 1 78 78 TYR HA H 78 4.780 4.780 4.538 0.242 25663 6638 1 13 . 1 1 78 78 TYR C C 78 177.025 177.025 176.802 0.223 25663 6639 1 13 . 1 1 78 78 TYR CA C 78 54.257 54.257 57.745 -3.488 25663 6640 1 13 . 1 1 78 78 TYR CB C 78 36.513 36.513 39.531 -3.018 25663 6641 1 13 . 1 1 78 78 TYR H H 78 9.313 9.313 7.830 1.483 25663 6642 1 13 . 1 1 79 79 GLY N N 79 110.776 110.776 106.395 4.381 25663 6643 1 13 . 1 1 79 79 GLY C C 79 172.389 172.389 173.450 -1.061 25663 6644 1 13 . 1 1 79 79 GLY CA C 79 44.317 44.317 44.864 -0.546 25663 6645 1 13 . 1 1 79 79 GLY H H 79 8.880 8.880 8.429 0.451 25663 6646 1 13 . 1 1 80 80 ILE N N 80 117.437 117.437 119.972 -2.535 25663 6647 1 13 . 1 1 80 80 ILE HA H 80 3.897 3.897 3.682 0.215 25663 6648 1 13 . 1 1 80 80 ILE C C 80 177.495 177.495 175.191 2.304 25663 6649 1 13 . 1 1 80 80 ILE CA C 80 61.293 61.293 62.331 -1.038 25663 6650 1 13 . 1 1 80 80 ILE CB C 80 36.412 36.412 37.067 -0.655 25663 6651 1 13 . 1 1 80 80 ILE H H 80 8.189 8.189 8.569 -0.380 25663 6652 1 13 . 1 1 81 81 ARG N N 81 128.585 128.585 126.274 2.311 25663 6653 1 13 . 1 1 81 81 ARG HA H 81 4.367 4.367 4.528 -0.161 25663 6654 1 13 . 1 1 81 81 ARG CA C 81 52.745 52.745 54.799 -2.054 25663 6655 1 13 . 1 1 81 81 ARG CB C 81 27.133 27.133 31.519 -4.386 25663 6656 1 13 . 1 1 81 81 ARG H H 81 8.367 8.367 8.485 -0.118 25663 6657 1 13 . 1 1 82 82 LEU HA H 82 4.145 4.145 4.273 -0.128 25663 6658 1 13 . 1 1 82 82 LEU C C 82 177.546 177.546 177.639 -0.093 25663 6659 1 13 . 1 1 82 82 LEU CA C 82 56.857 56.857 55.497 1.360 25663 6660 1 13 . 1 1 82 82 LEU CB C 82 42.266 42.266 41.398 0.868 25663 6661 1 13 . 1 1 82 82 LEU H H 82 8.226 8.226 8.534 -0.308 25663 6662 1 13 . 1 1 83 83 ASN N N 83 115.779 115.779 118.463 -2.684 25663 6663 1 13 . 1 1 83 83 ASN HA H 83 4.913 4.913 4.715 0.198 25663 6664 1 13 . 1 1 83 83 ASN C C 83 175.764 175.764 176.458 -0.694 25663 6665 1 13 . 1 1 83 83 ASN CA C 83 51.627 51.627 52.648 -1.021 25663 6666 1 13 . 1 1 83 83 ASN CB C 83 37.505 37.505 38.044 -0.539 25663 6667 1 13 . 1 1 83 83 ASN H H 83 8.628 8.628 8.521 0.107 25663 6668 1 13 . 1 1 84 84 ARG N N 84 121.554 121.554 118.069 3.485 25663 6669 1 13 . 1 1 84 84 ARG HA H 84 4.637 4.637 3.543 1.093 25663 6670 1 13 . 1 1 84 84 ARG C C 84 177.197 177.197 176.729 0.468 25663 6671 1 13 . 1 1 84 84 ARG CA C 84 56.695 56.695 57.867 -1.171 25663 6672 1 13 . 1 1 84 84 ARG CB C 84 29.361 29.361 29.160 0.201 25663 6673 1 13 . 1 1 84 84 ARG H H 84 8.593 8.593 7.518 1.075 25663 6674 1 13 . 1 1 85 85 SER N N 85 116.623 116.623 112.638 3.985 25663 6675 1 13 . 1 1 85 85 SER HA H 85 4.628 4.628 4.427 0.201 25663 6676 1 13 . 1 1 85 85 SER C C 85 174.403 174.403 175.221 -0.818 25663 6677 1 13 . 1 1 85 85 SER CA C 85 58.827 58.827 60.380 -1.553 25663 6678 1 13 . 1 1 85 85 SER CB C 85 62.996 62.996 63.690 -0.694 25663 6679 1 13 . 1 1 85 85 SER H H 85 8.567 8.567 7.915 0.652 25663 6680 1 13 . 1 1 86 86 GLU N N 86 121.171 121.171 121.759 -0.588 25663 6681 1 13 . 1 1 86 86 GLU HA H 86 3.864 3.864 4.455 -0.591 25663 6682 1 13 . 1 1 86 86 GLU C C 86 174.422 174.422 176.299 -1.877 25663 6683 1 13 . 1 1 86 86 GLU CA C 86 57.520 57.520 56.343 1.177 25663 6684 1 13 . 1 1 86 86 GLU CB C 86 31.292 31.292 30.871 0.421 25663 6685 1 13 . 1 1 86 86 GLU H H 86 7.219 7.219 8.188 -0.969 25663 6686 1 13 . 1 1 87 87 ARG N N 87 118.124 118.124 120.420 -2.296 25663 6687 1 13 . 1 1 87 87 ARG HA H 87 4.687 4.687 4.613 0.074 25663 6688 1 13 . 1 1 87 87 ARG C C 87 173.408 173.408 175.742 -2.334 25663 6689 1 13 . 1 1 87 87 ARG CA C 87 54.387 54.387 55.637 -1.250 25663 6690 1 13 . 1 1 87 87 ARG CB C 87 31.544 31.544 31.066 0.478 25663 6691 1 13 . 1 1 87 87 ARG H H 87 7.263 7.263 8.479 -1.216 25663 6692 1 13 . 1 1 88 88 TRP N N 88 121.383 121.383 122.569 -1.186 25663 6693 1 13 . 1 1 88 88 TRP HA H 88 4.899 4.899 4.901 -0.002 25663 6694 1 13 . 1 1 88 88 TRP CA C 88 54.508 54.508 56.967 -2.458 25663 6695 1 13 . 1 1 88 88 TRP CB C 88 33.610 33.610 32.409 1.201 25663 6696 1 13 . 1 1 88 88 TRP H H 88 8.811 8.811 8.854 -0.043 25663 6697 1 13 . 1 1 89 89 ASP N N 89 119.285 119.285 118.811 0.474 25663 6698 1 13 . 1 1 89 89 ASP HA H 89 5.602 5.602 4.763 0.839 25663 6699 1 13 . 1 1 89 89 ASP C C 89 173.648 173.648 175.403 -1.755 25663 6700 1 13 . 1 1 89 89 ASP CA C 89 54.558 54.558 53.730 0.828 25663 6701 1 13 . 1 1 89 89 ASP CB C 89 40.438 40.438 41.887 -1.449 25663 6702 1 13 . 1 1 89 89 ASP H H 89 8.552 8.552 8.323 0.229 25663 6703 1 13 . 1 1 90 90 ALA N N 90 121.014 121.014 119.086 1.928 25663 6704 1 13 . 1 1 90 90 ALA HA H 90 5.095 5.095 4.636 0.459 25663 6705 1 13 . 1 1 90 90 ALA C C 90 175.076 175.076 174.593 0.483 25663 6706 1 13 . 1 1 90 90 ALA CA C 90 52.089 52.089 51.908 0.181 25663 6707 1 13 . 1 1 90 90 ALA CB C 90 23.118 23.118 21.544 1.573 25663 6708 1 13 . 1 1 90 90 ALA H H 90 8.449 8.449 8.098 0.351 25663 6709 1 13 . 1 1 91 91 TYR N N 91 118.243 118.243 116.961 1.282 25663 6710 1 13 . 1 1 91 91 TYR HA H 91 5.072 5.072 4.942 0.130 25663 6711 1 13 . 1 1 91 91 TYR C C 91 174.671 174.671 174.865 -0.194 25663 6712 1 13 . 1 1 91 91 TYR CA C 91 58.787 58.787 57.604 1.183 25663 6713 1 13 . 1 1 91 91 TYR CB C 91 40.686 40.686 42.178 -1.492 25663 6714 1 13 . 1 1 91 91 TYR H H 91 8.421 8.421 8.578 -0.157 25663 6715 1 13 . 1 1 92 92 CYS N N 92 119.931 119.931 119.483 0.448 25663 6716 1 13 . 1 1 92 92 CYS HA H 92 5.263 5.263 5.104 0.159 25663 6717 1 13 . 1 1 92 92 CYS C C 92 172.698 172.698 172.792 -0.094 25663 6718 1 13 . 1 1 92 92 CYS CA C 92 50.601 50.601 57.063 -6.462 25663 6719 1 13 . 1 1 92 92 CYS CB C 92 37.818 37.818 30.892 6.926 25663 6720 1 13 . 1 1 92 92 CYS H H 92 8.459 8.459 8.827 -0.368 25663 6721 1 13 . 1 1 93 93 TYR N N 93 120.805 120.805 119.979 0.826 25663 6722 1 13 . 1 1 93 93 TYR HA H 93 4.903 4.903 4.726 0.177 25663 6723 1 13 . 1 1 93 93 TYR C C 93 173.902 173.902 172.850 1.052 25663 6724 1 13 . 1 1 93 93 TYR CA C 93 57.096 57.096 58.610 -1.514 25663 6725 1 13 . 1 1 93 93 TYR CB C 93 41.665 41.665 42.522 -0.857 25663 6726 1 13 . 1 1 93 93 TYR H H 93 9.410 9.410 8.216 1.194 25663 6727 1 13 . 1 1 94 94 ASN N N 94 124.511 124.511 122.158 2.353 25663 6728 1 13 . 1 1 94 94 ASN HA H 94 4.774 4.774 5.491 -0.717 25663 6729 1 13 . 1 1 94 94 ASN CA C 94 49.599 49.599 51.771 -2.172 25663 6730 1 13 . 1 1 94 94 ASN CB C 94 41.642 41.642 40.890 0.752 25663 6731 1 13 . 1 1 94 94 ASN H H 94 7.832 7.832 8.191 -0.359 25663 6732 1 13 . 1 1 95 95 PRO HA H 95 4.141 4.141 4.478 -0.337 25663 6733 1 13 . 1 1 95 95 PRO C C 95 176.345 176.345 176.474 -0.129 25663 6734 1 13 . 1 1 95 95 PRO CA C 95 63.800 63.800 63.466 0.334 25663 6735 1 13 . 1 1 95 95 PRO CB C 95 32.046 32.046 31.940 0.106 25663 6736 1 13 . 1 1 96 96 HIS N N 96 116.009 116.009 119.095 -3.086 25663 6737 1 13 . 1 1 96 96 HIS HA H 96 4.623 4.623 4.220 0.403 25663 6738 1 13 . 1 1 96 96 HIS C C 96 173.999 173.999 175.771 -1.772 25663 6739 1 13 . 1 1 96 96 HIS CA C 96 55.046 55.046 58.718 -3.672 25663 6740 1 13 . 1 1 96 96 HIS CB C 96 28.821 28.821 29.652 -0.831 25663 6741 1 13 . 1 1 96 96 HIS H H 96 8.354 8.354 8.147 0.207 25663 6742 1 13 . 1 1 97 97 ALA N N 97 123.775 123.775 121.735 2.040 25663 6743 1 13 . 1 1 97 97 ALA HA H 97 4.269 4.269 4.139 0.130 25663 6744 1 13 . 1 1 97 97 ALA C C 97 176.350 176.350 176.765 -0.415 25663 6745 1 13 . 1 1 97 97 ALA CA C 97 51.796 51.796 53.550 -1.754 25663 6746 1 13 . 1 1 97 97 ALA CB C 97 19.648 19.648 19.422 0.226 25663 6747 1 13 . 1 1 97 97 ALA H H 97 7.387 7.387 8.281 -0.894 25663 6748 1 14 . 1 1 2 2 VAL N N 2 122.742 122.742 123.390 -0.648 25663 6749 1 14 . 1 1 2 2 VAL HA H 2 5.257 5.257 4.513 0.744 25663 6750 1 14 . 1 1 2 2 VAL C C 2 174.533 174.533 175.955 -1.422 25663 6751 1 14 . 1 1 2 2 VAL CA C 2 60.536 60.536 62.916 -2.380 25663 6752 1 14 . 1 1 2 2 VAL CB C 2 33.278 33.278 31.894 1.384 25663 6753 1 14 . 1 1 2 2 VAL H H 2 8.486 8.486 8.236 0.250 25663 6754 1 14 . 1 1 3 3 TYR N N 3 120.172 120.172 125.618 -5.446 25663 6755 1 14 . 1 1 3 3 TYR HA H 3 4.964 4.964 5.074 -0.110 25663 6756 1 14 . 1 1 3 3 TYR C C 3 173.399 173.399 173.925 -0.526 25663 6757 1 14 . 1 1 3 3 TYR CA C 3 56.073 56.073 56.078 -0.005 25663 6758 1 14 . 1 1 3 3 TYR CB C 3 40.278 40.278 40.072 0.206 25663 6759 1 14 . 1 1 3 3 TYR H H 3 8.715 8.715 8.642 0.073 25663 6760 1 14 . 1 1 4 4 HIS N N 4 121.237 121.237 120.687 0.550 25663 6761 1 14 . 1 1 4 4 HIS HA H 4 4.929 4.929 4.956 -0.027 25663 6762 1 14 . 1 1 4 4 HIS C C 4 172.844 172.844 175.083 -2.239 25663 6763 1 14 . 1 1 4 4 HIS CA C 4 54.154 54.154 56.575 -2.421 25663 6764 1 14 . 1 1 4 4 HIS CB C 4 30.961 30.961 30.742 0.219 25663 6765 1 14 . 1 1 4 4 HIS H H 4 9.414 9.414 8.884 0.530 25663 6766 1 14 . 1 1 5 5 ARG N N 5 128.770 128.770 123.318 5.452 25663 6767 1 14 . 1 1 5 5 ARG HA H 5 4.619 4.619 4.466 0.153 25663 6768 1 14 . 1 1 5 5 ARG C C 5 172.967 172.967 173.947 -0.980 25663 6769 1 14 . 1 1 5 5 ARG CA C 5 53.177 53.177 54.225 -1.048 25663 6770 1 14 . 1 1 5 5 ARG CB C 5 33.832 33.832 32.733 1.099 25663 6771 1 14 . 1 1 5 5 ARG H H 5 8.805 8.805 7.840 0.965 25663 6772 1 14 . 1 1 6 6 GLU N N 6 121.037 121.037 120.781 0.256 25663 6773 1 14 . 1 1 6 6 GLU HA H 6 4.490 4.490 4.370 0.120 25663 6774 1 14 . 1 1 6 6 GLU C C 6 176.264 176.264 174.978 1.286 25663 6775 1 14 . 1 1 6 6 GLU CA C 6 53.336 53.336 56.086 -2.750 25663 6776 1 14 . 1 1 6 6 GLU CB C 6 33.133 33.133 31.650 1.483 25663 6777 1 14 . 1 1 6 6 GLU H H 6 8.232 8.232 8.545 -0.313 25663 6778 1 14 . 1 1 7 7 ALA N N 7 123.438 123.438 128.882 -5.444 25663 6779 1 14 . 1 1 7 7 ALA HA H 7 4.215 4.215 4.648 -0.433 25663 6780 1 14 . 1 1 7 7 ALA C C 7 178.419 178.419 177.120 1.299 25663 6781 1 14 . 1 1 7 7 ALA CA C 7 52.182 52.182 51.155 1.027 25663 6782 1 14 . 1 1 7 7 ALA CB C 7 20.128 20.128 20.285 -0.157 25663 6783 1 14 . 1 1 7 7 ALA H H 7 8.756 8.756 8.636 0.120 25663 6784 1 14 . 1 1 8 8 ARG N N 8 122.559 122.559 119.427 3.132 25663 6785 1 14 . 1 1 8 8 ARG HA H 8 3.998 3.998 4.109 -0.111 25663 6786 1 14 . 1 1 8 8 ARG C C 8 177.448 177.448 177.897 -0.449 25663 6787 1 14 . 1 1 8 8 ARG CA C 8 58.660 58.660 58.259 0.401 25663 6788 1 14 . 1 1 8 8 ARG CB C 8 29.406 29.406 30.224 -0.817 25663 6789 1 14 . 1 1 8 8 ARG H H 8 8.945 8.945 8.713 0.232 25663 6790 1 14 . 1 1 9 9 SER N N 9 107.309 107.309 114.745 -7.436 25663 6791 1 14 . 1 1 9 9 SER HA H 9 4.261 4.261 4.298 -0.037 25663 6792 1 14 . 1 1 9 9 SER C C 9 174.411 174.411 174.682 -0.271 25663 6793 1 14 . 1 1 9 9 SER CA C 9 58.081 58.081 59.097 -1.016 25663 6794 1 14 . 1 1 9 9 SER CB C 9 62.972 62.972 63.674 -0.702 25663 6795 1 14 . 1 1 9 9 SER H H 9 7.445 7.445 8.072 -0.627 25663 6796 1 14 . 1 1 10 10 GLY N N 10 109.574 109.574 107.040 2.534 25663 6797 1 14 . 1 1 10 10 GLY C C 10 171.580 171.580 173.953 -2.373 25663 6798 1 14 . 1 1 10 10 GLY CA C 10 44.036 44.036 44.313 -0.277 25663 6799 1 14 . 1 1 10 10 GLY H H 10 7.379 7.379 7.496 -0.117 25663 6800 1 14 . 1 1 11 11 LYS N N 11 121.683 121.683 120.357 1.326 25663 6801 1 14 . 1 1 11 11 LYS HA H 11 3.993 3.993 4.176 -0.183 25663 6802 1 14 . 1 1 11 11 LYS C C 11 175.995 175.995 178.006 -2.011 25663 6803 1 14 . 1 1 11 11 LYS CA C 11 57.374 57.374 57.535 -0.161 25663 6804 1 14 . 1 1 11 11 LYS CB C 11 34.009 34.009 32.704 1.305 25663 6805 1 14 . 1 1 11 11 LYS H H 11 8.040 8.040 8.247 -0.207 25663 6806 1 14 . 1 1 12 12 TYR N N 12 122.956 122.956 117.235 5.721 25663 6807 1 14 . 1 1 12 12 TYR HA H 12 3.990 3.990 4.579 -0.589 25663 6808 1 14 . 1 1 12 12 TYR C C 12 173.905 173.905 175.391 -1.486 25663 6809 1 14 . 1 1 12 12 TYR CA C 12 54.397 54.397 57.941 -3.544 25663 6810 1 14 . 1 1 12 12 TYR CB C 12 32.105 32.105 36.279 -4.174 25663 6811 1 14 . 1 1 12 12 TYR H H 12 9.830 9.830 8.078 1.752 25663 6812 1 14 . 1 1 13 13 LYS N N 13 114.683 114.683 120.388 -5.705 25663 6813 1 14 . 1 1 13 13 LYS HA H 13 4.577 4.577 4.461 0.116 25663 6814 1 14 . 1 1 13 13 LYS C C 13 176.999 176.999 174.741 2.258 25663 6815 1 14 . 1 1 13 13 LYS CA C 13 55.014 55.014 55.726 -0.712 25663 6816 1 14 . 1 1 13 13 LYS CB C 13 35.021 35.021 33.337 1.684 25663 6817 1 14 . 1 1 13 13 LYS H H 13 8.445 8.445 8.697 -0.252 25663 6818 1 14 . 1 1 14 14 LEU N N 14 123.176 123.176 120.445 2.731 25663 6819 1 14 . 1 1 14 14 LEU HA H 14 5.122 5.122 4.751 0.371 25663 6820 1 14 . 1 1 14 14 LEU C C 14 178.304 178.304 176.043 2.261 25663 6821 1 14 . 1 1 14 14 LEU CA C 14 54.800 54.800 53.298 1.502 25663 6822 1 14 . 1 1 14 14 LEU CB C 14 43.528 43.528 45.277 -1.749 25663 6823 1 14 . 1 1 14 14 LEU H H 14 9.479 9.479 8.582 0.897 25663 6824 1 14 . 1 1 15 15 THR N N 15 116.144 116.144 111.723 4.421 25663 6825 1 14 . 1 1 15 15 THR HA H 15 5.485 5.485 4.697 0.788 25663 6826 1 14 . 1 1 15 15 THR C C 15 174.697 174.697 175.343 -0.646 25663 6827 1 14 . 1 1 15 15 THR CA C 15 61.722 61.722 58.980 2.742 25663 6828 1 14 . 1 1 15 15 THR CB C 15 70.914 70.914 71.220 -0.306 25663 6829 1 14 . 1 1 15 15 THR H H 15 8.792 8.792 7.956 0.836 25663 6830 1 14 . 1 1 16 16 TYR N N 16 120.594 120.594 119.282 1.312 25663 6831 1 14 . 1 1 16 16 TYR HA H 16 2.375 2.375 3.167 -0.792 25663 6832 1 14 . 1 1 16 16 TYR C C 16 176.133 176.133 176.837 -0.704 25663 6833 1 14 . 1 1 16 16 TYR CA C 16 61.408 61.408 61.179 0.229 25663 6834 1 14 . 1 1 16 16 TYR CB C 16 36.889 36.889 35.706 1.183 25663 6835 1 14 . 1 1 16 16 TYR H H 16 7.402 7.402 7.990 -0.588 25663 6836 1 14 . 1 1 17 17 ALA N N 17 118.108 118.108 120.548 -2.440 25663 6837 1 14 . 1 1 17 17 ALA HA H 17 3.509 3.509 3.854 -0.345 25663 6838 1 14 . 1 1 17 17 ALA C C 17 181.575 181.575 179.558 2.017 25663 6839 1 14 . 1 1 17 17 ALA CA C 17 54.732 54.732 54.544 0.188 25663 6840 1 14 . 1 1 17 17 ALA CB C 17 18.124 18.124 17.796 0.328 25663 6841 1 14 . 1 1 17 17 ALA H H 17 8.545 8.545 6.920 1.625 25663 6842 1 14 . 1 1 18 18 GLU N N 18 117.696 117.696 116.660 1.036 25663 6843 1 14 . 1 1 18 18 GLU HA H 18 3.879 3.879 3.972 -0.093 25663 6844 1 14 . 1 1 18 18 GLU C C 18 178.624 178.624 178.480 0.144 25663 6845 1 14 . 1 1 18 18 GLU CA C 18 58.432 58.432 58.707 -0.275 25663 6846 1 14 . 1 1 18 18 GLU CB C 18 30.814 30.814 29.130 1.684 25663 6847 1 14 . 1 1 18 18 GLU H H 18 7.327 7.327 7.464 -0.137 25663 6848 1 14 . 1 1 19 19 ALA N N 19 124.629 124.629 122.345 2.284 25663 6849 1 14 . 1 1 19 19 ALA HA H 19 3.871 3.871 4.081 -0.210 25663 6850 1 14 . 1 1 19 19 ALA C C 19 177.371 177.371 179.435 -2.064 25663 6851 1 14 . 1 1 19 19 ALA CA C 19 54.955 54.955 54.970 -0.015 25663 6852 1 14 . 1 1 19 19 ALA CB C 19 19.893 19.893 18.415 1.478 25663 6853 1 14 . 1 1 19 19 ALA H H 19 8.744 8.744 7.686 1.058 25663 6854 1 14 . 1 1 20 20 LYS N N 20 117.842 117.842 117.434 0.408 25663 6855 1 14 . 1 1 20 20 LYS HA H 20 3.435 3.435 4.185 -0.750 25663 6856 1 14 . 1 1 20 20 LYS C C 20 178.017 178.017 177.932 0.085 25663 6857 1 14 . 1 1 20 20 LYS CA C 20 60.086 60.086 58.175 1.911 25663 6858 1 14 . 1 1 20 20 LYS CB C 20 33.186 33.186 32.118 1.068 25663 6859 1 14 . 1 1 20 20 LYS H H 20 8.188 8.188 7.692 0.496 25663 6860 1 14 . 1 1 21 21 ALA N N 21 117.564 117.564 120.542 -2.978 25663 6861 1 14 . 1 1 21 21 ALA HA H 21 4.040 4.040 4.149 -0.109 25663 6862 1 14 . 1 1 21 21 ALA C C 21 180.598 180.598 179.482 1.116 25663 6863 1 14 . 1 1 21 21 ALA CA C 21 54.991 54.991 54.757 0.235 25663 6864 1 14 . 1 1 21 21 ALA CB C 21 18.071 18.071 18.637 -0.566 25663 6865 1 14 . 1 1 21 21 ALA H H 21 7.382 7.382 7.223 0.159 25663 6866 1 14 . 1 1 22 22 VAL N N 22 120.351 120.351 111.626 8.725 25663 6867 1 14 . 1 1 22 22 VAL HA H 22 3.883 3.883 3.839 0.044 25663 6868 1 14 . 1 1 22 22 VAL C C 22 177.921 177.921 176.341 1.580 25663 6869 1 14 . 1 1 22 22 VAL CA C 22 66.242 66.242 64.766 1.476 25663 6870 1 14 . 1 1 22 22 VAL CB C 22 31.136 31.136 31.838 -0.702 25663 6871 1 14 . 1 1 22 22 VAL H H 22 8.203 8.203 7.389 0.814 25663 6872 1 14 . 1 1 23 23 CYS N N 23 116.368 116.368 117.545 -1.177 25663 6873 1 14 . 1 1 23 23 CYS HA H 23 4.352 4.352 4.873 -0.521 25663 6874 1 14 . 1 1 23 23 CYS C C 23 178.687 178.687 176.021 2.666 25663 6875 1 14 . 1 1 23 23 CYS CA C 23 55.224 55.224 58.723 -3.499 25663 6876 1 14 . 1 1 23 23 CYS CB C 23 33.542 33.542 29.692 3.850 25663 6877 1 14 . 1 1 23 23 CYS H H 23 7.788 7.788 7.573 0.215 25663 6878 1 14 . 1 1 24 24 GLU N N 24 120.341 120.341 118.573 1.768 25663 6879 1 14 . 1 1 24 24 GLU HA H 24 4.259 4.259 4.096 0.163 25663 6880 1 14 . 1 1 24 24 GLU C C 24 180.516 180.516 176.865 3.651 25663 6881 1 14 . 1 1 24 24 GLU CA C 24 58.412 58.412 59.539 -1.127 25663 6882 1 14 . 1 1 24 24 GLU CB C 24 28.855 28.855 28.128 0.727 25663 6883 1 14 . 1 1 24 24 GLU H H 24 8.196 8.196 9.066 -0.870 25663 6884 1 14 . 1 1 25 25 PHE N N 25 124.937 124.937 120.425 4.512 25663 6885 1 14 . 1 1 25 25 PHE HA H 25 4.267 4.267 4.288 -0.021 25663 6886 1 14 . 1 1 25 25 PHE C C 25 177.593 177.593 176.436 1.157 25663 6887 1 14 . 1 1 25 25 PHE CA C 25 60.845 60.845 60.724 0.121 25663 6888 1 14 . 1 1 25 25 PHE CB C 25 39.035 39.035 39.691 -0.655 25663 6889 1 14 . 1 1 25 25 PHE H H 25 8.946 8.946 8.280 0.666 25663 6890 1 14 . 1 1 26 26 GLU N N 26 114.486 114.486 116.933 -2.447 25663 6891 1 14 . 1 1 26 26 GLU HA H 26 4.090 4.090 4.422 -0.332 25663 6892 1 14 . 1 1 26 26 GLU C C 26 175.712 175.712 177.496 -1.784 25663 6893 1 14 . 1 1 26 26 GLU CA C 26 56.249 56.249 55.934 0.315 25663 6894 1 14 . 1 1 26 26 GLU CB C 26 29.418 29.418 29.579 -0.161 25663 6895 1 14 . 1 1 26 26 GLU H H 26 7.359 7.359 8.679 -1.320 25663 6896 1 14 . 1 1 27 27 GLY N N 27 106.503 106.503 107.989 -1.486 25663 6897 1 14 . 1 1 27 27 GLY C C 27 174.107 174.107 174.842 -0.735 25663 6898 1 14 . 1 1 27 27 GLY CA C 27 45.426 45.426 45.603 -0.177 25663 6899 1 14 . 1 1 27 27 GLY H H 27 7.695 7.695 7.554 0.141 25663 6900 1 14 . 1 1 28 28 GLY N N 28 109.515 109.515 108.981 0.534 25663 6901 1 14 . 1 1 28 28 GLY C C 28 172.079 172.079 172.997 -0.918 25663 6902 1 14 . 1 1 28 28 GLY CA C 28 43.788 43.788 43.760 0.028 25663 6903 1 14 . 1 1 28 28 GLY H H 28 7.745 7.745 8.174 -0.429 25663 6904 1 14 . 1 1 29 29 HIS N N 29 116.220 116.220 113.043 3.177 25663 6905 1 14 . 1 1 29 29 HIS HA H 29 4.865 4.865 5.292 -0.427 25663 6906 1 14 . 1 1 29 29 HIS C C 29 174.118 174.118 174.758 -0.640 25663 6907 1 14 . 1 1 29 29 HIS CA C 29 54.169 54.169 54.723 -0.554 25663 6908 1 14 . 1 1 29 29 HIS CB C 29 33.436 33.436 32.281 1.155 25663 6909 1 14 . 1 1 29 29 HIS H H 29 8.412 8.412 7.825 0.587 25663 6910 1 14 . 1 1 30 30 LEU N N 30 124.046 124.046 121.729 2.317 25663 6911 1 14 . 1 1 30 30 LEU HA H 30 4.912 4.912 4.551 0.361 25663 6912 1 14 . 1 1 30 30 LEU C C 30 178.158 178.158 177.080 1.078 25663 6913 1 14 . 1 1 30 30 LEU CA C 30 56.817 56.817 55.089 1.728 25663 6914 1 14 . 1 1 30 30 LEU CB C 30 42.534 42.534 42.778 -0.244 25663 6915 1 14 . 1 1 30 30 LEU H H 30 9.399 9.399 8.716 0.683 25663 6916 1 14 . 1 1 31 31 ALA N N 31 126.730 126.730 124.731 1.999 25663 6917 1 14 . 1 1 31 31 ALA HA H 31 4.403 4.403 4.083 0.320 25663 6918 1 14 . 1 1 31 31 ALA C C 31 176.879 176.879 176.819 0.060 25663 6919 1 14 . 1 1 31 31 ALA CA C 31 52.006 52.006 52.622 -0.616 25663 6920 1 14 . 1 1 31 31 ALA CB C 31 19.593 19.593 19.347 0.246 25663 6921 1 14 . 1 1 31 31 ALA H H 31 9.331 9.331 8.285 1.046 25663 6922 1 14 . 1 1 32 32 THR N N 32 111.206 111.206 116.492 -5.286 25663 6923 1 14 . 1 1 32 32 THR HA H 32 4.528 4.528 4.621 -0.093 25663 6924 1 14 . 1 1 32 32 THR C C 32 174.899 174.899 174.625 0.274 25663 6925 1 14 . 1 1 32 32 THR CA C 32 59.818 59.818 61.255 -1.437 25663 6926 1 14 . 1 1 32 32 THR CB C 32 70.949 70.949 72.058 -1.109 25663 6927 1 14 . 1 1 32 32 THR H H 32 8.511 8.511 8.201 0.310 25663 6928 1 14 . 1 1 33 33 TYR N N 33 121.971 121.971 126.495 -4.524 25663 6929 1 14 . 1 1 33 33 TYR HA H 33 3.745 3.745 4.031 -0.286 25663 6930 1 14 . 1 1 33 33 TYR C C 33 176.176 176.176 176.993 -0.817 25663 6931 1 14 . 1 1 33 33 TYR CA C 33 62.320 62.320 62.380 -0.060 25663 6932 1 14 . 1 1 33 33 TYR CB C 33 38.737 38.737 38.696 0.041 25663 6933 1 14 . 1 1 33 33 TYR H H 33 8.623 8.623 8.955 -0.332 25663 6934 1 14 . 1 1 34 34 LYS N N 34 116.509 116.509 119.251 -2.742 25663 6935 1 14 . 1 1 34 34 LYS HA H 34 3.905 3.905 4.012 -0.107 25663 6936 1 14 . 1 1 34 34 LYS C C 34 180.207 180.207 178.485 1.722 25663 6937 1 14 . 1 1 34 34 LYS CA C 34 59.854 59.854 59.446 0.408 25663 6938 1 14 . 1 1 34 34 LYS CB C 34 32.743 32.743 32.023 0.720 25663 6939 1 14 . 1 1 34 34 LYS H H 34 8.284 8.284 8.284 0.000 25663 6940 1 14 . 1 1 35 35 GLN N N 35 119.270 119.270 117.897 1.373 25663 6941 1 14 . 1 1 35 35 GLN HA H 35 3.822 3.822 3.944 -0.122 25663 6942 1 14 . 1 1 35 35 GLN C C 35 179.050 179.050 178.391 0.659 25663 6943 1 14 . 1 1 35 35 GLN CA C 35 58.402 58.402 58.699 -0.297 25663 6944 1 14 . 1 1 35 35 GLN CB C 35 26.715 26.715 28.421 -1.706 25663 6945 1 14 . 1 1 35 35 GLN H H 35 7.747 7.747 8.162 -0.415 25663 6946 1 14 . 1 1 36 36 LEU N N 36 122.992 122.992 119.814 3.178 25663 6947 1 14 . 1 1 36 36 LEU HA H 36 3.891 3.891 3.701 0.190 25663 6948 1 14 . 1 1 36 36 LEU C C 36 177.812 177.812 178.707 -0.895 25663 6949 1 14 . 1 1 36 36 LEU CA C 36 58.166 58.166 57.819 0.347 25663 6950 1 14 . 1 1 36 36 LEU CB C 36 41.981 41.981 41.694 0.287 25663 6951 1 14 . 1 1 36 36 LEU H H 36 8.473 8.473 8.637 -0.164 25663 6952 1 14 . 1 1 37 37 GLU N N 37 120.512 120.512 118.951 1.561 25663 6953 1 14 . 1 1 37 37 GLU HA H 37 4.244 4.244 3.852 0.392 25663 6954 1 14 . 1 1 37 37 GLU C C 37 177.984 177.984 178.267 -0.283 25663 6955 1 14 . 1 1 37 37 GLU CA C 37 58.018 58.018 58.856 -0.838 25663 6956 1 14 . 1 1 37 37 GLU CB C 37 28.236 28.236 28.921 -0.685 25663 6957 1 14 . 1 1 37 37 GLU H H 37 8.526 8.526 7.419 1.107 25663 6958 1 14 . 1 1 38 38 ALA N N 38 121.256 121.256 120.962 0.294 25663 6959 1 14 . 1 1 38 38 ALA HA H 38 3.995 3.995 4.192 -0.197 25663 6960 1 14 . 1 1 38 38 ALA C C 38 180.513 180.513 178.585 1.928 25663 6961 1 14 . 1 1 38 38 ALA CA C 38 54.968 54.968 54.369 0.599 25663 6962 1 14 . 1 1 38 38 ALA CB C 38 17.792 17.792 18.377 -0.584 25663 6963 1 14 . 1 1 38 38 ALA H H 38 7.806 7.806 7.260 0.546 25663 6964 1 14 . 1 1 39 39 ALA N N 39 120.185 120.185 119.729 0.456 25663 6965 1 14 . 1 1 39 39 ALA HA H 39 4.164 4.164 4.304 -0.140 25663 6966 1 14 . 1 1 39 39 ALA C C 39 180.063 180.063 179.638 0.425 25663 6967 1 14 . 1 1 39 39 ALA CA C 39 54.064 54.064 53.397 0.667 25663 6968 1 14 . 1 1 39 39 ALA CB C 39 17.883 17.883 18.806 -0.923 25663 6969 1 14 . 1 1 39 39 ALA H H 39 7.495 7.495 7.685 -0.190 25663 6970 1 14 . 1 1 40 40 ARG N N 40 124.604 124.604 120.904 3.700 25663 6971 1 14 . 1 1 40 40 ARG HA H 40 4.658 4.658 4.186 0.472 25663 6972 1 14 . 1 1 40 40 ARG C C 40 180.610 180.610 178.055 2.555 25663 6973 1 14 . 1 1 40 40 ARG CA C 40 58.559 58.559 58.489 0.070 25663 6974 1 14 . 1 1 40 40 ARG CB C 40 30.707 30.707 29.857 0.850 25663 6975 1 14 . 1 1 40 40 ARG H H 40 8.789 8.789 8.093 0.696 25663 6976 1 14 . 1 1 41 41 LYS N N 41 117.810 117.810 118.911 -1.101 25663 6977 1 14 . 1 1 41 41 LYS HA H 41 3.925 3.925 4.164 -0.239 25663 6978 1 14 . 1 1 41 41 LYS C C 41 178.134 178.134 177.374 0.760 25663 6979 1 14 . 1 1 41 41 LYS CA C 41 59.409 59.409 58.555 0.854 25663 6980 1 14 . 1 1 41 41 LYS CB C 41 32.786 32.786 31.710 1.076 25663 6981 1 14 . 1 1 41 41 LYS H H 41 8.267 8.267 7.575 0.692 25663 6982 1 14 . 1 1 42 42 ILE N N 42 110.889 110.889 118.227 -7.338 25663 6983 1 14 . 1 1 42 42 ILE HA H 42 4.581 4.581 4.331 0.250 25663 6984 1 14 . 1 1 42 42 ILE C C 42 176.527 176.527 176.672 -0.145 25663 6985 1 14 . 1 1 42 42 ILE CA C 42 60.751 60.751 59.553 1.198 25663 6986 1 14 . 1 1 42 42 ILE CB C 42 37.739 37.739 36.322 1.417 25663 6987 1 14 . 1 1 42 42 ILE H H 42 7.263 7.263 7.548 -0.285 25663 6988 1 14 . 1 1 43 43 GLY N N 43 108.366 108.366 109.085 -0.719 25663 6989 1 14 . 1 1 43 43 GLY C C 43 173.880 173.880 174.488 -0.608 25663 6990 1 14 . 1 1 43 43 GLY CA C 43 45.585 45.585 45.682 -0.097 25663 6991 1 14 . 1 1 43 43 GLY H H 43 7.816 7.816 8.037 -0.221 25663 6992 1 14 . 1 1 44 44 PHE N N 44 125.650 125.650 121.019 4.631 25663 6993 1 14 . 1 1 44 44 PHE HA H 44 4.510 4.510 4.236 0.274 25663 6994 1 14 . 1 1 44 44 PHE C C 44 171.183 171.183 175.093 -3.910 25663 6995 1 14 . 1 1 44 44 PHE CA C 44 59.012 59.012 59.130 -0.118 25663 6996 1 14 . 1 1 44 44 PHE CB C 44 39.986 39.986 38.806 1.180 25663 6997 1 14 . 1 1 44 44 PHE H H 44 8.003 8.003 7.537 0.466 25663 6998 1 14 . 1 1 45 45 HIS N N 45 126.999 126.999 125.460 1.539 25663 6999 1 14 . 1 1 45 45 HIS HA H 45 4.728 4.728 4.767 -0.039 25663 7000 1 14 . 1 1 45 45 HIS C C 45 175.134 175.134 173.767 1.367 25663 7001 1 14 . 1 1 45 45 HIS CA C 45 55.539 55.539 55.667 -0.128 25663 7002 1 14 . 1 1 45 45 HIS CB C 45 34.586 34.586 30.778 3.808 25663 7003 1 14 . 1 1 45 45 HIS H H 45 7.326 7.326 8.090 -0.764 25663 7004 1 14 . 1 1 46 46 VAL N N 46 126.425 126.425 124.940 1.485 25663 7005 1 14 . 1 1 46 46 VAL HA H 46 3.665 3.665 4.012 -0.347 25663 7006 1 14 . 1 1 46 46 VAL CA C 46 61.647 61.647 61.070 0.577 25663 7007 1 14 . 1 1 46 46 VAL CB C 46 35.141 35.141 35.877 -0.736 25663 7008 1 14 . 1 1 46 46 VAL H H 46 8.147 8.147 7.790 0.357 25663 7009 1 14 . 1 1 47 47 CYS N N 47 127.308 127.308 121.643 5.665 25663 7010 1 14 . 1 1 47 47 CYS HA H 47 4.470 4.470 4.934 -0.464 25663 7011 1 14 . 1 1 47 47 CYS C C 47 172.533 172.533 172.784 -0.251 25663 7012 1 14 . 1 1 47 47 CYS CA C 47 55.259 55.259 59.083 -3.824 25663 7013 1 14 . 1 1 47 47 CYS CB C 47 44.867 44.867 26.526 18.341 25663 7014 1 14 . 1 1 47 47 CYS H H 47 8.675 8.675 8.891 -0.216 25663 7015 1 14 . 1 1 48 48 ALA N N 48 120.376 120.376 122.199 -1.823 25663 7016 1 14 . 1 1 48 48 ALA HA H 48 4.278 4.278 4.169 0.109 25663 7017 1 14 . 1 1 48 48 ALA C C 48 173.936 173.936 174.524 -0.588 25663 7018 1 14 . 1 1 48 48 ALA CA C 48 51.286 51.286 51.690 -0.404 25663 7019 1 14 . 1 1 48 48 ALA CB C 48 19.831 19.831 21.969 -2.138 25663 7020 1 14 . 1 1 48 48 ALA H H 48 6.500 6.500 7.693 -1.193 25663 7021 1 14 . 1 1 49 49 ALA N N 49 130.715 130.715 124.222 6.493 25663 7022 1 14 . 1 1 49 49 ALA HA H 49 3.834 3.834 4.111 -0.277 25663 7023 1 14 . 1 1 49 49 ALA C C 49 176.061 176.061 176.773 -0.712 25663 7024 1 14 . 1 1 49 49 ALA CA C 49 53.466 53.466 51.378 2.088 25663 7025 1 14 . 1 1 49 49 ALA CB C 49 18.332 18.332 19.213 -0.881 25663 7026 1 14 . 1 1 49 49 ALA H H 49 8.424 8.424 7.975 0.449 25663 7027 1 14 . 1 1 50 50 GLY N N 50 107.085 107.085 109.490 -2.405 25663 7028 1 14 . 1 1 50 50 GLY C C 50 170.793 170.793 172.785 -1.992 25663 7029 1 14 . 1 1 50 50 GLY CA C 50 43.792 43.792 44.602 -0.810 25663 7030 1 14 . 1 1 50 50 GLY H H 50 8.746 8.746 7.771 0.975 25663 7031 1 14 . 1 1 51 51 TRP N N 51 121.565 121.565 123.951 -2.386 25663 7032 1 14 . 1 1 51 51 TRP HA H 51 4.960 4.960 4.605 0.355 25663 7033 1 14 . 1 1 51 51 TRP C C 51 174.095 174.095 175.986 -1.891 25663 7034 1 14 . 1 1 51 51 TRP CA C 51 58.852 58.852 58.752 0.100 25663 7035 1 14 . 1 1 51 51 TRP CB C 51 32.034 32.034 29.081 2.953 25663 7036 1 14 . 1 1 51 51 TRP H H 51 8.596 8.596 8.236 0.360 25663 7037 1 14 . 1 1 52 52 MET N N 52 118.713 118.713 124.556 -5.843 25663 7038 1 14 . 1 1 52 52 MET HA H 52 4.945 4.945 4.727 0.218 25663 7039 1 14 . 1 1 52 52 MET C C 52 174.575 174.575 176.367 -1.792 25663 7040 1 14 . 1 1 52 52 MET CA C 52 54.277 54.277 54.695 -0.418 25663 7041 1 14 . 1 1 52 52 MET CB C 52 39.146 39.146 34.146 5.000 25663 7042 1 14 . 1 1 52 52 MET H H 52 9.116 9.116 9.017 0.099 25663 7043 1 14 . 1 1 53 53 ALA N N 53 120.116 120.116 122.522 -2.406 25663 7044 1 14 . 1 1 53 53 ALA HA H 53 4.186 4.186 4.172 0.014 25663 7045 1 14 . 1 1 53 53 ALA C C 53 178.250 178.250 178.501 -0.251 25663 7046 1 14 . 1 1 53 53 ALA CA C 53 53.791 53.791 54.159 -0.368 25663 7047 1 14 . 1 1 53 53 ALA CB C 53 19.462 19.462 19.260 0.202 25663 7048 1 14 . 1 1 53 53 ALA H H 53 8.517 8.517 8.950 -0.433 25663 7049 1 14 . 1 1 54 54 LYS N N 54 112.641 112.641 119.255 -6.614 25663 7050 1 14 . 1 1 54 54 LYS HA H 54 3.857 3.857 3.970 -0.113 25663 7051 1 14 . 1 1 54 54 LYS C C 54 175.913 175.913 176.588 -0.675 25663 7052 1 14 . 1 1 54 54 LYS CA C 54 57.608 57.608 57.354 0.254 25663 7053 1 14 . 1 1 54 54 LYS CB C 54 29.796 29.796 31.677 -1.881 25663 7054 1 14 . 1 1 54 54 LYS H H 54 8.866 8.866 9.056 -0.190 25663 7055 1 14 . 1 1 55 55 GLY N N 55 104.227 104.227 105.017 -0.790 25663 7056 1 14 . 1 1 55 55 GLY C C 55 173.820 173.820 174.538 -0.718 25663 7057 1 14 . 1 1 55 55 GLY CA C 55 45.933 45.933 45.440 0.493 25663 7058 1 14 . 1 1 55 55 GLY H H 55 8.239 8.239 8.109 0.130 25663 7059 1 14 . 1 1 56 56 ARG N N 56 122.045 122.045 121.414 0.631 25663 7060 1 14 . 1 1 56 56 ARG HA H 56 4.771 4.771 4.416 0.355 25663 7061 1 14 . 1 1 56 56 ARG C C 56 173.828 173.828 174.876 -1.048 25663 7062 1 14 . 1 1 56 56 ARG CA C 56 55.010 55.010 56.326 -1.316 25663 7063 1 14 . 1 1 56 56 ARG CB C 56 31.939 31.939 31.574 0.365 25663 7064 1 14 . 1 1 56 56 ARG H H 56 6.825 6.825 7.868 -1.043 25663 7065 1 14 . 1 1 57 57 VAL N N 57 122.581 122.581 126.126 -3.545 25663 7066 1 14 . 1 1 57 57 VAL HA H 57 4.632 4.632 4.752 -0.120 25663 7067 1 14 . 1 1 57 57 VAL C C 57 173.775 173.775 174.695 -0.920 25663 7068 1 14 . 1 1 57 57 VAL CA C 57 59.946 59.946 60.785 -0.839 25663 7069 1 14 . 1 1 57 57 VAL CB C 57 35.191 35.191 31.568 3.623 25663 7070 1 14 . 1 1 57 57 VAL H H 57 7.084 7.084 7.854 -0.770 25663 7071 1 14 . 1 1 58 58 GLY N N 58 112.994 112.994 114.914 -1.920 25663 7072 1 14 . 1 1 58 58 GLY C C 58 171.431 171.431 172.052 -0.621 25663 7073 1 14 . 1 1 58 58 GLY CA C 58 46.285 46.285 45.399 0.886 25663 7074 1 14 . 1 1 58 58 GLY H H 58 8.112 8.112 8.049 0.063 25663 7075 1 14 . 1 1 59 59 TYR N N 59 111.540 111.540 114.958 -3.418 25663 7076 1 14 . 1 1 59 59 TYR HA H 59 4.337 4.337 4.864 -0.527 25663 7077 1 14 . 1 1 59 59 TYR CA C 59 55.972 55.972 55.251 0.721 25663 7078 1 14 . 1 1 59 59 TYR CB C 59 34.363 34.363 39.370 -5.007 25663 7079 1 14 . 1 1 59 59 TYR H H 59 7.796 7.796 7.994 -0.198 25663 7080 1 14 . 1 1 60 60 PRO HA H 60 4.497 4.497 4.432 0.065 25663 7081 1 14 . 1 1 60 60 PRO CA C 60 62.231 62.231 62.861 -0.630 25663 7082 1 14 . 1 1 60 60 PRO CB C 60 33.314 33.314 32.904 0.410 25663 7083 1 14 . 1 1 61 61 ILE HA H 61 4.444 4.444 4.431 0.013 25663 7084 1 14 . 1 1 61 61 ILE CA C 61 56.601 56.601 60.502 -3.901 25663 7085 1 14 . 1 1 61 61 ILE CB C 61 38.417 38.417 38.737 -0.320 25663 7086 1 14 . 1 1 62 62 VAL HA H 62 3.935 3.935 3.869 0.066 25663 7087 1 14 . 1 1 62 62 VAL CA C 62 64.377 64.377 65.010 -0.633 25663 7088 1 14 . 1 1 62 62 VAL CB C 62 34.087 34.087 32.079 2.008 25663 7089 1 14 . 1 1 62 62 VAL H H 62 11.229 11.229 8.875 2.354 25663 7090 1 14 . 1 1 63 63 LYS N N 63 122.578 122.578 119.102 3.476 25663 7091 1 14 . 1 1 63 63 LYS HA H 63 4.753 4.753 4.643 0.110 25663 7092 1 14 . 1 1 63 63 LYS CA C 63 52.473 52.473 53.989 -1.516 25663 7093 1 14 . 1 1 63 63 LYS CB C 63 32.983 32.983 33.277 -0.294 25663 7094 1 14 . 1 1 63 63 LYS H H 63 7.501 7.501 8.168 -0.667 25663 7095 1 14 . 1 1 64 64 PRO HA H 64 4.362 4.362 4.288 0.074 25663 7096 1 14 . 1 1 64 64 PRO CA C 64 63.124 63.124 63.207 -0.083 25663 7097 1 14 . 1 1 64 64 PRO CB C 64 32.121 32.121 32.133 -0.012 25663 7098 1 14 . 1 1 65 65 GLY CA C 65 45.512 45.512 43.179 2.333 25663 7099 1 14 . 1 1 65 65 GLY H H 65 8.377 8.377 7.996 0.381 25663 7100 1 14 . 1 1 66 66 PRO HA H 66 4.010 4.010 4.388 -0.378 25663 7101 1 14 . 1 1 66 66 PRO C C 66 177.072 177.072 177.958 -0.886 25663 7102 1 14 . 1 1 66 66 PRO CA C 66 64.765 64.765 64.613 0.152 25663 7103 1 14 . 1 1 66 66 PRO CB C 66 32.121 32.121 32.301 -0.180 25663 7104 1 14 . 1 1 67 67 ASN N N 67 114.419 114.419 118.392 -3.973 25663 7105 1 14 . 1 1 67 67 ASN HA H 67 4.995 4.995 4.625 0.370 25663 7106 1 14 . 1 1 67 67 ASN C C 67 173.872 173.872 175.055 -1.183 25663 7107 1 14 . 1 1 67 67 ASN CA C 67 52.349 52.349 54.285 -1.936 25663 7108 1 14 . 1 1 67 67 ASN CB C 67 38.955 38.955 39.061 -0.106 25663 7109 1 14 . 1 1 67 67 ASN H H 67 8.330 8.330 8.623 -0.293 25663 7110 1 14 . 1 1 68 68 CYS N N 68 118.995 118.995 114.153 4.842 25663 7111 1 14 . 1 1 68 68 CYS HA H 68 5.034 5.034 4.817 0.217 25663 7112 1 14 . 1 1 68 68 CYS CA C 68 54.247 54.247 57.447 -3.200 25663 7113 1 14 . 1 1 68 68 CYS CB C 68 44.260 44.260 28.104 16.156 25663 7114 1 14 . 1 1 68 68 CYS H H 68 7.327 7.327 8.006 -0.679 25663 7115 1 14 . 1 1 70 70 PHE HA H 70 4.305 4.305 3.957 0.348 25663 7116 1 14 . 1 1 70 70 PHE CA C 70 58.889 58.889 60.324 -1.435 25663 7117 1 14 . 1 1 70 70 PHE CB C 70 36.557 36.557 38.292 -1.735 25663 7118 1 14 . 1 1 71 71 GLY N N 71 105.368 105.368 105.349 0.019 25663 7119 1 14 . 1 1 71 71 GLY CA C 71 46.043 46.043 44.801 1.242 25663 7120 1 14 . 1 1 71 71 GLY H H 71 7.339 7.339 8.344 -1.005 25663 7121 1 14 . 1 1 72 72 LYS N N 72 120.404 120.404 117.551 2.853 25663 7122 1 14 . 1 1 72 72 LYS HA H 72 4.264 4.264 4.121 0.143 25663 7123 1 14 . 1 1 72 72 LYS C C 72 175.440 175.440 174.931 0.509 25663 7124 1 14 . 1 1 72 72 LYS CA C 72 56.413 56.413 57.325 -0.913 25663 7125 1 14 . 1 1 72 72 LYS CB C 72 33.686 33.686 32.577 1.109 25663 7126 1 14 . 1 1 72 72 LYS H H 72 6.946 6.946 8.098 -1.152 25663 7127 1 14 . 1 1 73 73 THR N N 73 110.334 110.334 113.560 -3.226 25663 7128 1 14 . 1 1 73 73 THR HA H 73 4.233 4.233 4.733 -0.500 25663 7129 1 14 . 1 1 73 73 THR C C 73 173.774 173.774 173.983 -0.209 25663 7130 1 14 . 1 1 73 73 THR CA C 73 60.879 60.879 60.703 0.176 25663 7131 1 14 . 1 1 73 73 THR CB C 73 70.841 70.841 71.142 -0.301 25663 7132 1 14 . 1 1 73 73 THR H H 73 7.911 7.911 8.168 -0.257 25663 7133 1 14 . 1 1 74 74 GLY N N 74 109.589 109.589 111.462 -1.873 25663 7134 1 14 . 1 1 74 74 GLY C C 74 172.715 172.715 172.775 -0.060 25663 7135 1 14 . 1 1 74 74 GLY CA C 74 43.404 43.404 44.582 -1.178 25663 7136 1 14 . 1 1 74 74 GLY H H 74 7.904 7.904 8.038 -0.134 25663 7137 1 14 . 1 1 75 75 ILE N N 75 120.787 120.787 121.995 -1.208 25663 7138 1 14 . 1 1 75 75 ILE HA H 75 4.221 4.221 4.135 0.086 25663 7139 1 14 . 1 1 75 75 ILE C C 75 176.249 176.249 175.768 0.481 25663 7140 1 14 . 1 1 75 75 ILE CA C 75 59.422 59.422 61.314 -1.892 25663 7141 1 14 . 1 1 75 75 ILE CB C 75 36.008 36.008 38.432 -2.424 25663 7142 1 14 . 1 1 75 75 ILE H H 75 8.265 8.265 8.243 0.022 25663 7143 1 14 . 1 1 76 76 ILE N N 76 134.542 134.542 128.559 5.983 25663 7144 1 14 . 1 1 76 76 ILE HA H 76 3.587 3.587 4.057 -0.470 25663 7145 1 14 . 1 1 76 76 ILE C C 76 173.769 173.769 174.298 -0.529 25663 7146 1 14 . 1 1 76 76 ILE CA C 76 59.599 59.599 60.131 -0.532 25663 7147 1 14 . 1 1 76 76 ILE CB C 76 33.139 33.139 38.114 -4.975 25663 7148 1 14 . 1 1 76 76 ILE H H 76 8.660 8.660 8.389 0.271 25663 7149 1 14 . 1 1 77 77 ASP N N 77 126.213 126.213 123.416 2.797 25663 7150 1 14 . 1 1 77 77 ASP HA H 77 4.790 4.790 4.594 0.196 25663 7151 1 14 . 1 1 77 77 ASP C C 77 176.390 176.390 175.591 0.799 25663 7152 1 14 . 1 1 77 77 ASP CA C 77 52.927 52.927 53.300 -0.373 25663 7153 1 14 . 1 1 77 77 ASP CB C 77 44.224 44.224 42.020 2.204 25663 7154 1 14 . 1 1 77 77 ASP H H 77 7.925 7.925 7.880 0.045 25663 7155 1 14 . 1 1 78 78 TYR N N 78 126.424 126.424 123.016 3.408 25663 7156 1 14 . 1 1 78 78 TYR HA H 78 4.780 4.780 4.479 0.301 25663 7157 1 14 . 1 1 78 78 TYR C C 78 177.025 177.025 176.127 0.898 25663 7158 1 14 . 1 1 78 78 TYR CA C 78 54.257 54.257 57.299 -3.042 25663 7159 1 14 . 1 1 78 78 TYR CB C 78 36.513 36.513 38.386 -1.873 25663 7160 1 14 . 1 1 78 78 TYR H H 78 9.313 9.313 7.894 1.419 25663 7161 1 14 . 1 1 79 79 GLY N N 79 110.776 110.776 111.984 -1.208 25663 7162 1 14 . 1 1 79 79 GLY C C 79 172.389 172.389 174.244 -1.855 25663 7163 1 14 . 1 1 79 79 GLY CA C 79 44.317 44.317 45.624 -1.307 25663 7164 1 14 . 1 1 79 79 GLY H H 79 8.880 8.880 8.506 0.374 25663 7165 1 14 . 1 1 80 80 ILE N N 80 117.437 117.437 120.370 -2.933 25663 7166 1 14 . 1 1 80 80 ILE HA H 80 3.897 3.897 3.708 0.189 25663 7167 1 14 . 1 1 80 80 ILE C C 80 177.495 177.495 175.341 2.154 25663 7168 1 14 . 1 1 80 80 ILE CA C 80 61.293 61.293 62.058 -0.765 25663 7169 1 14 . 1 1 80 80 ILE CB C 80 36.412 36.412 37.247 -0.835 25663 7170 1 14 . 1 1 80 80 ILE H H 80 8.189 8.189 7.736 0.453 25663 7171 1 14 . 1 1 81 81 ARG N N 81 128.585 128.585 124.775 3.810 25663 7172 1 14 . 1 1 81 81 ARG HA H 81 4.367 4.367 4.184 0.183 25663 7173 1 14 . 1 1 81 81 ARG CA C 81 52.745 52.745 55.788 -3.043 25663 7174 1 14 . 1 1 81 81 ARG CB C 81 27.133 27.133 30.881 -3.748 25663 7175 1 14 . 1 1 81 81 ARG H H 81 8.367 8.367 8.237 0.130 25663 7176 1 14 . 1 1 82 82 LEU HA H 82 4.145 4.145 4.195 -0.050 25663 7177 1 14 . 1 1 82 82 LEU C C 82 177.546 177.546 177.849 -0.303 25663 7178 1 14 . 1 1 82 82 LEU CA C 82 56.857 56.857 56.831 0.026 25663 7179 1 14 . 1 1 82 82 LEU CB C 82 42.266 42.266 41.738 0.528 25663 7180 1 14 . 1 1 82 82 LEU H H 82 8.226 8.226 8.515 -0.289 25663 7181 1 14 . 1 1 83 83 ASN N N 83 115.779 115.779 117.469 -1.690 25663 7182 1 14 . 1 1 83 83 ASN HA H 83 4.913 4.913 4.702 0.211 25663 7183 1 14 . 1 1 83 83 ASN C C 83 175.764 175.764 175.721 0.043 25663 7184 1 14 . 1 1 83 83 ASN CA C 83 51.627 51.627 53.065 -1.438 25663 7185 1 14 . 1 1 83 83 ASN CB C 83 37.505 37.505 36.502 1.003 25663 7186 1 14 . 1 1 83 83 ASN H H 83 8.628 8.628 8.807 -0.179 25663 7187 1 14 . 1 1 84 84 ARG N N 84 121.554 121.554 118.739 2.815 25663 7188 1 14 . 1 1 84 84 ARG HA H 84 4.637 4.637 4.470 0.167 25663 7189 1 14 . 1 1 84 84 ARG C C 84 177.197 177.197 177.078 0.119 25663 7190 1 14 . 1 1 84 84 ARG CA C 84 56.695 56.695 59.027 -2.332 25663 7191 1 14 . 1 1 84 84 ARG CB C 84 29.361 29.361 29.753 -0.392 25663 7192 1 14 . 1 1 84 84 ARG H H 84 8.593 8.593 8.044 0.549 25663 7193 1 14 . 1 1 85 85 SER N N 85 116.623 116.623 111.587 5.036 25663 7194 1 14 . 1 1 85 85 SER HA H 85 4.628 4.628 4.589 0.039 25663 7195 1 14 . 1 1 85 85 SER C C 85 174.403 174.403 174.782 -0.379 25663 7196 1 14 . 1 1 85 85 SER CA C 85 58.827 58.827 59.019 -0.192 25663 7197 1 14 . 1 1 85 85 SER CB C 85 62.996 62.996 63.631 -0.635 25663 7198 1 14 . 1 1 85 85 SER H H 85 8.567 8.567 8.162 0.405 25663 7199 1 14 . 1 1 86 86 GLU N N 86 121.171 121.171 122.525 -1.354 25663 7200 1 14 . 1 1 86 86 GLU HA H 86 3.864 3.864 4.438 -0.574 25663 7201 1 14 . 1 1 86 86 GLU C C 86 174.422 174.422 175.597 -1.175 25663 7202 1 14 . 1 1 86 86 GLU CA C 86 57.520 57.520 55.502 2.018 25663 7203 1 14 . 1 1 86 86 GLU CB C 86 31.292 31.292 31.464 -0.172 25663 7204 1 14 . 1 1 86 86 GLU H H 86 7.219 7.219 8.478 -1.259 25663 7205 1 14 . 1 1 87 87 ARG N N 87 118.124 118.124 124.121 -5.997 25663 7206 1 14 . 1 1 87 87 ARG HA H 87 4.687 4.687 4.311 0.376 25663 7207 1 14 . 1 1 87 87 ARG C C 87 173.408 173.408 175.614 -2.206 25663 7208 1 14 . 1 1 87 87 ARG CA C 87 54.387 54.387 56.561 -2.174 25663 7209 1 14 . 1 1 87 87 ARG CB C 87 31.544 31.544 31.388 0.156 25663 7210 1 14 . 1 1 87 87 ARG H H 87 7.263 7.263 8.406 -1.143 25663 7211 1 14 . 1 1 88 88 TRP N N 88 121.383 121.383 120.402 0.981 25663 7212 1 14 . 1 1 88 88 TRP HA H 88 4.899 4.899 4.855 0.044 25663 7213 1 14 . 1 1 88 88 TRP CA C 88 54.508 54.508 57.332 -2.824 25663 7214 1 14 . 1 1 88 88 TRP CB C 88 33.610 33.610 32.526 1.084 25663 7215 1 14 . 1 1 88 88 TRP H H 88 8.811 8.811 8.996 -0.185 25663 7216 1 14 . 1 1 89 89 ASP N N 89 119.285 119.285 119.503 -0.218 25663 7217 1 14 . 1 1 89 89 ASP HA H 89 5.602 5.602 4.953 0.649 25663 7218 1 14 . 1 1 89 89 ASP C C 89 173.648 173.648 175.258 -1.610 25663 7219 1 14 . 1 1 89 89 ASP CA C 89 54.558 54.558 53.150 1.408 25663 7220 1 14 . 1 1 89 89 ASP CB C 89 40.438 40.438 42.628 -2.190 25663 7221 1 14 . 1 1 89 89 ASP H H 89 8.552 8.552 8.670 -0.118 25663 7222 1 14 . 1 1 90 90 ALA N N 90 121.014 121.014 119.228 1.786 25663 7223 1 14 . 1 1 90 90 ALA HA H 90 5.095 5.095 4.602 0.493 25663 7224 1 14 . 1 1 90 90 ALA C C 90 175.076 175.076 174.861 0.215 25663 7225 1 14 . 1 1 90 90 ALA CA C 90 52.089 52.089 51.951 0.138 25663 7226 1 14 . 1 1 90 90 ALA CB C 90 23.118 23.118 21.624 1.494 25663 7227 1 14 . 1 1 90 90 ALA H H 90 8.449 8.449 7.828 0.621 25663 7228 1 14 . 1 1 91 91 TYR N N 91 118.243 118.243 117.395 0.848 25663 7229 1 14 . 1 1 91 91 TYR HA H 91 5.072 5.072 4.818 0.254 25663 7230 1 14 . 1 1 91 91 TYR C C 91 174.671 174.671 174.913 -0.242 25663 7231 1 14 . 1 1 91 91 TYR CA C 91 58.787 58.787 57.367 1.419 25663 7232 1 14 . 1 1 91 91 TYR CB C 91 40.686 40.686 41.837 -1.151 25663 7233 1 14 . 1 1 91 91 TYR H H 91 8.421 8.421 8.277 0.144 25663 7234 1 14 . 1 1 92 92 CYS N N 92 119.931 119.931 118.501 1.430 25663 7235 1 14 . 1 1 92 92 CYS HA H 92 5.263 5.263 4.999 0.264 25663 7236 1 14 . 1 1 92 92 CYS C C 92 172.698 172.698 172.477 0.221 25663 7237 1 14 . 1 1 92 92 CYS CA C 92 50.601 50.601 57.224 -6.623 25663 7238 1 14 . 1 1 92 92 CYS CB C 92 37.818 37.818 31.282 6.536 25663 7239 1 14 . 1 1 92 92 CYS H H 92 8.459 8.459 9.043 -0.584 25663 7240 1 14 . 1 1 93 93 TYR N N 93 120.805 120.805 120.604 0.201 25663 7241 1 14 . 1 1 93 93 TYR HA H 93 4.903 4.903 4.857 0.046 25663 7242 1 14 . 1 1 93 93 TYR C C 93 173.902 173.902 173.433 0.469 25663 7243 1 14 . 1 1 93 93 TYR CA C 93 57.096 57.096 57.991 -0.895 25663 7244 1 14 . 1 1 93 93 TYR CB C 93 41.665 41.665 40.379 1.286 25663 7245 1 14 . 1 1 93 93 TYR H H 93 9.410 9.410 8.679 0.731 25663 7246 1 14 . 1 1 94 94 ASN N N 94 124.511 124.511 126.242 -1.731 25663 7247 1 14 . 1 1 94 94 ASN HA H 94 4.774 4.774 5.361 -0.587 25663 7248 1 14 . 1 1 94 94 ASN CA C 94 49.599 49.599 51.231 -1.632 25663 7249 1 14 . 1 1 94 94 ASN CB C 94 41.642 41.642 39.659 1.983 25663 7250 1 14 . 1 1 94 94 ASN H H 94 7.832 7.832 8.238 -0.406 25663 7251 1 14 . 1 1 95 95 PRO HA H 95 4.141 4.141 4.417 -0.276 25663 7252 1 14 . 1 1 95 95 PRO C C 95 176.345 176.345 175.473 0.872 25663 7253 1 14 . 1 1 95 95 PRO CA C 95 63.800 63.800 63.783 0.017 25663 7254 1 14 . 1 1 95 95 PRO CB C 95 32.046 32.046 31.891 0.155 25663 7255 1 14 . 1 1 96 96 HIS N N 96 116.009 116.009 115.082 0.927 25663 7256 1 14 . 1 1 96 96 HIS HA H 96 4.623 4.623 4.552 0.071 25663 7257 1 14 . 1 1 96 96 HIS C C 96 173.999 173.999 175.907 -1.908 25663 7258 1 14 . 1 1 96 96 HIS CA C 96 55.046 55.046 56.441 -1.395 25663 7259 1 14 . 1 1 96 96 HIS CB C 96 28.821 28.821 29.448 -0.627 25663 7260 1 14 . 1 1 96 96 HIS H H 96 8.354 8.354 8.264 0.090 25663 7261 1 14 . 1 1 97 97 ALA N N 97 123.775 123.775 122.757 1.018 25663 7262 1 14 . 1 1 97 97 ALA HA H 97 4.269 4.269 3.934 0.335 25663 7263 1 14 . 1 1 97 97 ALA C C 97 176.350 176.350 177.627 -1.277 25663 7264 1 14 . 1 1 97 97 ALA CA C 97 51.796 51.796 52.188 -0.392 25663 7265 1 14 . 1 1 97 97 ALA CB C 97 19.648 19.648 18.665 0.983 25663 7266 1 14 . 1 1 97 97 ALA H H 97 7.387 7.387 6.749 0.638 25663 7267 1 15 . 1 1 2 2 VAL N N 2 122.742 122.742 120.057 2.685 25663 7268 1 15 . 1 1 2 2 VAL HA H 2 5.257 5.257 4.326 0.931 25663 7269 1 15 . 1 1 2 2 VAL C C 2 174.533 174.533 176.189 -1.656 25663 7270 1 15 . 1 1 2 2 VAL CA C 2 60.536 60.536 62.309 -1.772 25663 7271 1 15 . 1 1 2 2 VAL CB C 2 33.278 33.278 32.183 1.095 25663 7272 1 15 . 1 1 2 2 VAL H H 2 8.486 8.486 8.462 0.024 25663 7273 1 15 . 1 1 3 3 TYR N N 3 120.172 120.172 124.035 -3.863 25663 7274 1 15 . 1 1 3 3 TYR HA H 3 4.964 4.964 4.992 -0.028 25663 7275 1 15 . 1 1 3 3 TYR C C 3 173.399 173.399 174.117 -0.718 25663 7276 1 15 . 1 1 3 3 TYR CA C 3 56.073 56.073 56.521 -0.448 25663 7277 1 15 . 1 1 3 3 TYR CB C 3 40.278 40.278 40.526 -0.248 25663 7278 1 15 . 1 1 3 3 TYR H H 3 8.715 8.715 8.449 0.266 25663 7279 1 15 . 1 1 4 4 HIS N N 4 121.237 121.237 119.108 2.129 25663 7280 1 15 . 1 1 4 4 HIS HA H 4 4.929 4.929 4.724 0.205 25663 7281 1 15 . 1 1 4 4 HIS C C 4 172.844 172.844 174.306 -1.462 25663 7282 1 15 . 1 1 4 4 HIS CA C 4 54.154 54.154 55.257 -1.103 25663 7283 1 15 . 1 1 4 4 HIS CB C 4 30.961 30.961 30.505 0.457 25663 7284 1 15 . 1 1 4 4 HIS H H 4 9.414 9.414 8.490 0.924 25663 7285 1 15 . 1 1 5 5 ARG N N 5 128.770 128.770 126.008 2.762 25663 7286 1 15 . 1 1 5 5 ARG HA H 5 4.619 4.619 4.552 0.067 25663 7287 1 15 . 1 1 5 5 ARG C C 5 172.967 172.967 174.839 -1.872 25663 7288 1 15 . 1 1 5 5 ARG CA C 5 53.177 53.177 55.542 -2.365 25663 7289 1 15 . 1 1 5 5 ARG CB C 5 33.832 33.832 31.798 2.034 25663 7290 1 15 . 1 1 5 5 ARG H H 5 8.805 8.805 8.732 0.073 25663 7291 1 15 . 1 1 6 6 GLU N N 6 121.037 121.037 126.529 -5.492 25663 7292 1 15 . 1 1 6 6 GLU HA H 6 4.490 4.490 4.521 -0.031 25663 7293 1 15 . 1 1 6 6 GLU C C 6 176.264 176.264 175.871 0.393 25663 7294 1 15 . 1 1 6 6 GLU CA C 6 53.336 53.336 55.534 -2.198 25663 7295 1 15 . 1 1 6 6 GLU CB C 6 33.133 33.133 31.258 1.875 25663 7296 1 15 . 1 1 6 6 GLU H H 6 8.232 8.232 8.685 -0.453 25663 7297 1 15 . 1 1 7 7 ALA N N 7 123.438 123.438 127.916 -4.478 25663 7298 1 15 . 1 1 7 7 ALA HA H 7 4.215 4.215 4.555 -0.340 25663 7299 1 15 . 1 1 7 7 ALA C C 7 178.419 178.419 177.747 0.672 25663 7300 1 15 . 1 1 7 7 ALA CA C 7 52.182 52.182 51.648 0.534 25663 7301 1 15 . 1 1 7 7 ALA CB C 7 20.128 20.128 20.232 -0.104 25663 7302 1 15 . 1 1 7 7 ALA H H 7 8.756 8.756 8.300 0.456 25663 7303 1 15 . 1 1 8 8 ARG N N 8 122.559 122.559 118.384 4.175 25663 7304 1 15 . 1 1 8 8 ARG HA H 8 3.998 3.998 4.090 -0.092 25663 7305 1 15 . 1 1 8 8 ARG C C 8 177.448 177.448 177.029 0.419 25663 7306 1 15 . 1 1 8 8 ARG CA C 8 58.660 58.660 58.317 0.343 25663 7307 1 15 . 1 1 8 8 ARG CB C 8 29.406 29.406 30.112 -0.706 25663 7308 1 15 . 1 1 8 8 ARG H H 8 8.945 8.945 8.600 0.345 25663 7309 1 15 . 1 1 9 9 SER N N 9 107.309 107.309 114.466 -7.157 25663 7310 1 15 . 1 1 9 9 SER HA H 9 4.261 4.261 4.439 -0.178 25663 7311 1 15 . 1 1 9 9 SER C C 9 174.411 174.411 174.283 0.128 25663 7312 1 15 . 1 1 9 9 SER CA C 9 58.081 58.081 58.008 0.073 25663 7313 1 15 . 1 1 9 9 SER CB C 9 62.972 62.972 63.244 -0.272 25663 7314 1 15 . 1 1 9 9 SER H H 9 7.445 7.445 7.942 -0.497 25663 7315 1 15 . 1 1 10 10 GLY N N 10 109.574 109.574 110.029 -0.455 25663 7316 1 15 . 1 1 10 10 GLY C C 10 171.580 171.580 174.247 -2.667 25663 7317 1 15 . 1 1 10 10 GLY CA C 10 44.036 44.036 46.165 -2.129 25663 7318 1 15 . 1 1 10 10 GLY H H 10 7.379 7.379 7.419 -0.040 25663 7319 1 15 . 1 1 11 11 LYS N N 11 121.683 121.683 123.432 -1.749 25663 7320 1 15 . 1 1 11 11 LYS HA H 11 3.993 3.993 4.259 -0.266 25663 7321 1 15 . 1 1 11 11 LYS C C 11 175.995 175.995 175.155 0.840 25663 7322 1 15 . 1 1 11 11 LYS CA C 11 57.374 57.374 55.854 1.520 25663 7323 1 15 . 1 1 11 11 LYS CB C 11 34.009 34.009 33.211 0.798 25663 7324 1 15 . 1 1 11 11 LYS H H 11 8.040 8.040 7.937 0.103 25663 7325 1 15 . 1 1 12 12 TYR N N 12 122.956 122.956 116.857 6.099 25663 7326 1 15 . 1 1 12 12 TYR HA H 12 3.990 3.990 4.196 -0.206 25663 7327 1 15 . 1 1 12 12 TYR C C 12 173.905 173.905 174.923 -1.018 25663 7328 1 15 . 1 1 12 12 TYR CA C 12 54.397 54.397 58.870 -4.473 25663 7329 1 15 . 1 1 12 12 TYR CB C 12 32.105 32.105 35.397 -3.292 25663 7330 1 15 . 1 1 12 12 TYR H H 12 9.830 9.830 7.490 2.340 25663 7331 1 15 . 1 1 13 13 LYS N N 13 114.683 114.683 118.523 -3.840 25663 7332 1 15 . 1 1 13 13 LYS HA H 13 4.577 4.577 4.534 0.043 25663 7333 1 15 . 1 1 13 13 LYS C C 13 176.999 176.999 174.699 2.300 25663 7334 1 15 . 1 1 13 13 LYS CA C 13 55.014 55.014 55.982 -0.968 25663 7335 1 15 . 1 1 13 13 LYS CB C 13 35.021 35.021 33.130 1.891 25663 7336 1 15 . 1 1 13 13 LYS H H 13 8.445 8.445 8.385 0.060 25663 7337 1 15 . 1 1 14 14 LEU N N 14 123.176 123.176 121.497 1.679 25663 7338 1 15 . 1 1 14 14 LEU HA H 14 5.122 5.122 4.789 0.333 25663 7339 1 15 . 1 1 14 14 LEU C C 14 178.304 178.304 175.880 2.424 25663 7340 1 15 . 1 1 14 14 LEU CA C 14 54.800 54.800 53.724 1.075 25663 7341 1 15 . 1 1 14 14 LEU CB C 14 43.528 43.528 44.486 -0.958 25663 7342 1 15 . 1 1 14 14 LEU H H 14 9.479 9.479 8.356 1.123 25663 7343 1 15 . 1 1 15 15 THR N N 15 116.144 116.144 113.506 2.638 25663 7344 1 15 . 1 1 15 15 THR HA H 15 5.485 5.485 4.911 0.574 25663 7345 1 15 . 1 1 15 15 THR C C 15 174.697 174.697 175.764 -1.067 25663 7346 1 15 . 1 1 15 15 THR CA C 15 61.722 61.722 59.017 2.705 25663 7347 1 15 . 1 1 15 15 THR CB C 15 70.914 70.914 71.510 -0.596 25663 7348 1 15 . 1 1 15 15 THR H H 15 8.792 8.792 8.196 0.596 25663 7349 1 15 . 1 1 16 16 TYR N N 16 120.594 120.594 120.715 -0.121 25663 7350 1 15 . 1 1 16 16 TYR HA H 16 2.375 2.375 4.032 -1.657 25663 7351 1 15 . 1 1 16 16 TYR C C 16 176.133 176.133 177.373 -1.240 25663 7352 1 15 . 1 1 16 16 TYR CA C 16 61.408 61.408 61.095 0.313 25663 7353 1 15 . 1 1 16 16 TYR CB C 16 36.889 36.889 35.817 1.072 25663 7354 1 15 . 1 1 16 16 TYR H H 16 7.402 7.402 8.733 -1.331 25663 7355 1 15 . 1 1 17 17 ALA N N 17 118.108 118.108 120.173 -2.065 25663 7356 1 15 . 1 1 17 17 ALA HA H 17 3.509 3.509 3.937 -0.428 25663 7357 1 15 . 1 1 17 17 ALA C C 17 181.575 181.575 179.832 1.743 25663 7358 1 15 . 1 1 17 17 ALA CA C 17 54.732 54.732 54.735 -0.003 25663 7359 1 15 . 1 1 17 17 ALA CB C 17 18.124 18.124 17.426 0.698 25663 7360 1 15 . 1 1 17 17 ALA H H 17 8.545 8.545 6.782 1.763 25663 7361 1 15 . 1 1 18 18 GLU N N 18 117.696 117.696 119.017 -1.321 25663 7362 1 15 . 1 1 18 18 GLU HA H 18 3.879 3.879 3.993 -0.114 25663 7363 1 15 . 1 1 18 18 GLU C C 18 178.624 178.624 178.528 0.096 25663 7364 1 15 . 1 1 18 18 GLU CA C 18 58.432 58.432 58.439 -0.007 25663 7365 1 15 . 1 1 18 18 GLU CB C 18 30.814 30.814 29.298 1.516 25663 7366 1 15 . 1 1 18 18 GLU H H 18 7.327 7.327 7.324 0.003 25663 7367 1 15 . 1 1 19 19 ALA N N 19 124.629 124.629 122.105 2.524 25663 7368 1 15 . 1 1 19 19 ALA HA H 19 3.871 3.871 3.935 -0.064 25663 7369 1 15 . 1 1 19 19 ALA C C 19 177.371 177.371 179.884 -2.513 25663 7370 1 15 . 1 1 19 19 ALA CA C 19 54.955 54.955 55.343 -0.388 25663 7371 1 15 . 1 1 19 19 ALA CB C 19 19.893 19.893 18.266 1.627 25663 7372 1 15 . 1 1 19 19 ALA H H 19 8.744 8.744 8.552 0.192 25663 7373 1 15 . 1 1 20 20 LYS N N 20 117.842 117.842 116.647 1.195 25663 7374 1 15 . 1 1 20 20 LYS HA H 20 3.435 3.435 4.099 -0.664 25663 7375 1 15 . 1 1 20 20 LYS C C 20 178.017 178.017 177.823 0.194 25663 7376 1 15 . 1 1 20 20 LYS CA C 20 60.086 60.086 58.754 1.332 25663 7377 1 15 . 1 1 20 20 LYS CB C 20 33.186 33.186 32.106 1.080 25663 7378 1 15 . 1 1 20 20 LYS H H 20 8.188 8.188 7.878 0.310 25663 7379 1 15 . 1 1 21 21 ALA N N 21 117.564 117.564 120.594 -3.030 25663 7380 1 15 . 1 1 21 21 ALA HA H 21 4.040 4.040 4.167 -0.127 25663 7381 1 15 . 1 1 21 21 ALA C C 21 180.598 180.598 179.480 1.118 25663 7382 1 15 . 1 1 21 21 ALA CA C 21 54.991 54.991 54.562 0.429 25663 7383 1 15 . 1 1 21 21 ALA CB C 21 18.071 18.071 18.625 -0.554 25663 7384 1 15 . 1 1 21 21 ALA H H 21 7.382 7.382 7.452 -0.070 25663 7385 1 15 . 1 1 22 22 VAL N N 22 120.351 120.351 116.223 4.128 25663 7386 1 15 . 1 1 22 22 VAL HA H 22 3.883 3.883 3.766 0.117 25663 7387 1 15 . 1 1 22 22 VAL C C 22 177.921 177.921 176.349 1.572 25663 7388 1 15 . 1 1 22 22 VAL CA C 22 66.242 66.242 65.859 0.383 25663 7389 1 15 . 1 1 22 22 VAL CB C 22 31.136 31.136 31.693 -0.557 25663 7390 1 15 . 1 1 22 22 VAL H H 22 8.203 8.203 7.499 0.704 25663 7391 1 15 . 1 1 23 23 CYS N N 23 116.368 116.368 115.073 1.295 25663 7392 1 15 . 1 1 23 23 CYS HA H 23 4.352 4.352 4.538 -0.186 25663 7393 1 15 . 1 1 23 23 CYS C C 23 178.687 178.687 174.080 4.607 25663 7394 1 15 . 1 1 23 23 CYS CA C 23 55.224 55.224 58.824 -3.600 25663 7395 1 15 . 1 1 23 23 CYS CB C 23 33.542 33.542 29.352 4.190 25663 7396 1 15 . 1 1 23 23 CYS H H 23 7.788 7.788 7.620 0.168 25663 7397 1 15 . 1 1 24 24 GLU N N 24 120.341 120.341 115.606 4.735 25663 7398 1 15 . 1 1 24 24 GLU HA H 24 4.259 4.259 4.137 0.122 25663 7399 1 15 . 1 1 24 24 GLU C C 24 180.516 180.516 178.226 2.290 25663 7400 1 15 . 1 1 24 24 GLU CA C 24 58.412 58.412 58.658 -0.246 25663 7401 1 15 . 1 1 24 24 GLU CB C 24 28.855 28.855 28.842 0.013 25663 7402 1 15 . 1 1 24 24 GLU H H 24 8.196 8.196 8.766 -0.570 25663 7403 1 15 . 1 1 25 25 PHE N N 25 124.937 124.937 120.427 4.510 25663 7404 1 15 . 1 1 25 25 PHE HA H 25 4.267 4.267 4.262 0.005 25663 7405 1 15 . 1 1 25 25 PHE C C 25 177.593 177.593 175.925 1.668 25663 7406 1 15 . 1 1 25 25 PHE CA C 25 60.845 60.845 61.000 -0.155 25663 7407 1 15 . 1 1 25 25 PHE CB C 25 39.035 39.035 39.246 -0.211 25663 7408 1 15 . 1 1 25 25 PHE H H 25 8.946 8.946 8.447 0.499 25663 7409 1 15 . 1 1 26 26 GLU N N 26 114.486 114.486 118.715 -4.229 25663 7410 1 15 . 1 1 26 26 GLU HA H 26 4.090 4.090 4.311 -0.221 25663 7411 1 15 . 1 1 26 26 GLU C C 26 175.712 175.712 177.234 -1.522 25663 7412 1 15 . 1 1 26 26 GLU CA C 26 56.249 56.249 55.546 0.703 25663 7413 1 15 . 1 1 26 26 GLU CB C 26 29.418 29.418 28.059 1.359 25663 7414 1 15 . 1 1 26 26 GLU H H 26 7.359 7.359 8.321 -0.962 25663 7415 1 15 . 1 1 27 27 GLY N N 27 106.503 106.503 107.155 -0.652 25663 7416 1 15 . 1 1 27 27 GLY C C 27 174.107 174.107 174.914 -0.807 25663 7417 1 15 . 1 1 27 27 GLY CA C 27 45.426 45.426 44.958 0.468 25663 7418 1 15 . 1 1 27 27 GLY H H 27 7.695 7.695 8.006 -0.311 25663 7419 1 15 . 1 1 28 28 GLY N N 28 109.515 109.515 107.743 1.772 25663 7420 1 15 . 1 1 28 28 GLY C C 28 172.079 172.079 172.617 -0.538 25663 7421 1 15 . 1 1 28 28 GLY CA C 28 43.788 43.788 43.734 0.054 25663 7422 1 15 . 1 1 28 28 GLY H H 28 7.745 7.745 8.272 -0.527 25663 7423 1 15 . 1 1 29 29 HIS N N 29 116.220 116.220 116.356 -0.136 25663 7424 1 15 . 1 1 29 29 HIS HA H 29 4.865 4.865 4.747 0.118 25663 7425 1 15 . 1 1 29 29 HIS C C 29 174.118 174.118 173.665 0.453 25663 7426 1 15 . 1 1 29 29 HIS CA C 29 54.169 54.169 55.767 -1.598 25663 7427 1 15 . 1 1 29 29 HIS CB C 29 33.436 33.436 33.167 0.269 25663 7428 1 15 . 1 1 29 29 HIS H H 29 8.412 8.412 8.379 0.033 25663 7429 1 15 . 1 1 30 30 LEU N N 30 124.046 124.046 123.033 1.013 25663 7430 1 15 . 1 1 30 30 LEU HA H 30 4.912 4.912 4.203 0.709 25663 7431 1 15 . 1 1 30 30 LEU C C 30 178.158 178.158 176.931 1.227 25663 7432 1 15 . 1 1 30 30 LEU CA C 30 56.817 56.817 55.208 1.609 25663 7433 1 15 . 1 1 30 30 LEU CB C 30 42.534 42.534 42.387 0.147 25663 7434 1 15 . 1 1 30 30 LEU H H 30 9.399 9.399 7.733 1.666 25663 7435 1 15 . 1 1 31 31 ALA N N 31 126.730 126.730 127.103 -0.373 25663 7436 1 15 . 1 1 31 31 ALA HA H 31 4.403 4.403 4.107 0.296 25663 7437 1 15 . 1 1 31 31 ALA C C 31 176.879 176.879 177.131 -0.252 25663 7438 1 15 . 1 1 31 31 ALA CA C 31 52.006 52.006 52.973 -0.967 25663 7439 1 15 . 1 1 31 31 ALA CB C 31 19.593 19.593 18.937 0.656 25663 7440 1 15 . 1 1 31 31 ALA H H 31 9.331 9.331 8.394 0.937 25663 7441 1 15 . 1 1 32 32 THR N N 32 111.206 111.206 117.234 -6.028 25663 7442 1 15 . 1 1 32 32 THR HA H 32 4.528 4.528 4.512 0.016 25663 7443 1 15 . 1 1 32 32 THR C C 32 174.899 174.899 174.834 0.065 25663 7444 1 15 . 1 1 32 32 THR CA C 32 59.818 59.818 60.189 -0.371 25663 7445 1 15 . 1 1 32 32 THR CB C 32 70.949 70.949 71.505 -0.556 25663 7446 1 15 . 1 1 32 32 THR H H 32 8.511 8.511 7.849 0.662 25663 7447 1 15 . 1 1 33 33 TYR N N 33 121.971 121.971 124.415 -2.444 25663 7448 1 15 . 1 1 33 33 TYR HA H 33 3.745 3.745 4.003 -0.258 25663 7449 1 15 . 1 1 33 33 TYR C C 33 176.176 176.176 177.202 -1.026 25663 7450 1 15 . 1 1 33 33 TYR CA C 33 62.320 62.320 63.267 -0.947 25663 7451 1 15 . 1 1 33 33 TYR CB C 33 38.737 38.737 38.739 -0.002 25663 7452 1 15 . 1 1 33 33 TYR H H 33 8.623 8.623 9.046 -0.423 25663 7453 1 15 . 1 1 34 34 LYS N N 34 116.509 116.509 117.584 -1.075 25663 7454 1 15 . 1 1 34 34 LYS HA H 34 3.905 3.905 3.819 0.086 25663 7455 1 15 . 1 1 34 34 LYS C C 34 180.207 180.207 178.703 1.504 25663 7456 1 15 . 1 1 34 34 LYS CA C 34 59.854 59.854 59.566 0.289 25663 7457 1 15 . 1 1 34 34 LYS CB C 34 32.743 32.743 31.987 0.756 25663 7458 1 15 . 1 1 34 34 LYS H H 34 8.284 8.284 8.343 -0.059 25663 7459 1 15 . 1 1 35 35 GLN N N 35 119.270 119.270 119.028 0.242 25663 7460 1 15 . 1 1 35 35 GLN HA H 35 3.822 3.822 4.067 -0.245 25663 7461 1 15 . 1 1 35 35 GLN C C 35 179.050 179.050 178.400 0.650 25663 7462 1 15 . 1 1 35 35 GLN CA C 35 58.402 58.402 58.068 0.334 25663 7463 1 15 . 1 1 35 35 GLN CB C 35 26.715 26.715 27.805 -1.089 25663 7464 1 15 . 1 1 35 35 GLN H H 35 7.747 7.747 7.863 -0.116 25663 7465 1 15 . 1 1 36 36 LEU N N 36 122.992 122.992 120.699 2.293 25663 7466 1 15 . 1 1 36 36 LEU HA H 36 3.891 3.891 3.626 0.265 25663 7467 1 15 . 1 1 36 36 LEU C C 36 177.812 177.812 178.466 -0.654 25663 7468 1 15 . 1 1 36 36 LEU CA C 36 58.166 58.166 57.825 0.341 25663 7469 1 15 . 1 1 36 36 LEU CB C 36 41.981 41.981 41.546 0.435 25663 7470 1 15 . 1 1 36 36 LEU H H 36 8.473 8.473 8.668 -0.195 25663 7471 1 15 . 1 1 37 37 GLU N N 37 120.512 120.512 119.538 0.974 25663 7472 1 15 . 1 1 37 37 GLU HA H 37 4.244 4.244 3.649 0.595 25663 7473 1 15 . 1 1 37 37 GLU C C 37 177.984 177.984 178.493 -0.509 25663 7474 1 15 . 1 1 37 37 GLU CA C 37 58.018 58.018 59.706 -1.688 25663 7475 1 15 . 1 1 37 37 GLU CB C 37 28.236 28.236 29.281 -1.045 25663 7476 1 15 . 1 1 37 37 GLU H H 37 8.526 8.526 8.293 0.233 25663 7477 1 15 . 1 1 38 38 ALA N N 38 121.256 121.256 121.500 -0.244 25663 7478 1 15 . 1 1 38 38 ALA HA H 38 3.995 3.995 4.064 -0.069 25663 7479 1 15 . 1 1 38 38 ALA C C 38 180.513 180.513 178.866 1.647 25663 7480 1 15 . 1 1 38 38 ALA CA C 38 54.968 54.968 54.670 0.298 25663 7481 1 15 . 1 1 38 38 ALA CB C 38 17.792 17.792 18.219 -0.427 25663 7482 1 15 . 1 1 38 38 ALA H H 38 7.806 7.806 7.561 0.245 25663 7483 1 15 . 1 1 39 39 ALA N N 39 120.185 120.185 119.995 0.190 25663 7484 1 15 . 1 1 39 39 ALA HA H 39 4.164 4.164 4.264 -0.100 25663 7485 1 15 . 1 1 39 39 ALA C C 39 180.063 180.063 179.918 0.145 25663 7486 1 15 . 1 1 39 39 ALA CA C 39 54.064 54.064 53.521 0.543 25663 7487 1 15 . 1 1 39 39 ALA CB C 39 17.883 17.883 18.678 -0.795 25663 7488 1 15 . 1 1 39 39 ALA H H 39 7.495 7.495 7.175 0.320 25663 7489 1 15 . 1 1 40 40 ARG N N 40 124.604 124.604 120.257 4.347 25663 7490 1 15 . 1 1 40 40 ARG HA H 40 4.658 4.658 4.136 0.522 25663 7491 1 15 . 1 1 40 40 ARG C C 40 180.610 180.610 178.304 2.306 25663 7492 1 15 . 1 1 40 40 ARG CA C 40 58.559 58.559 58.583 -0.024 25663 7493 1 15 . 1 1 40 40 ARG CB C 40 30.707 30.707 29.818 0.889 25663 7494 1 15 . 1 1 40 40 ARG H H 40 8.789 8.789 8.455 0.334 25663 7495 1 15 . 1 1 41 41 LYS N N 41 117.810 117.810 118.344 -0.534 25663 7496 1 15 . 1 1 41 41 LYS HA H 41 3.925 3.925 4.141 -0.216 25663 7497 1 15 . 1 1 41 41 LYS C C 41 178.134 178.134 177.520 0.614 25663 7498 1 15 . 1 1 41 41 LYS CA C 41 59.409 59.409 58.491 0.918 25663 7499 1 15 . 1 1 41 41 LYS CB C 41 32.786 32.786 32.045 0.741 25663 7500 1 15 . 1 1 41 41 LYS H H 41 8.267 8.267 7.564 0.703 25663 7501 1 15 . 1 1 42 42 ILE N N 42 110.889 110.889 118.131 -7.242 25663 7502 1 15 . 1 1 42 42 ILE HA H 42 4.581 4.581 4.331 0.250 25663 7503 1 15 . 1 1 42 42 ILE C C 42 176.527 176.527 176.645 -0.118 25663 7504 1 15 . 1 1 42 42 ILE CA C 42 60.751 60.751 59.384 1.367 25663 7505 1 15 . 1 1 42 42 ILE CB C 42 37.739 37.739 36.407 1.332 25663 7506 1 15 . 1 1 42 42 ILE H H 42 7.263 7.263 7.496 -0.233 25663 7507 1 15 . 1 1 43 43 GLY N N 43 108.366 108.366 109.142 -0.776 25663 7508 1 15 . 1 1 43 43 GLY C C 43 173.880 173.880 174.319 -0.439 25663 7509 1 15 . 1 1 43 43 GLY CA C 43 45.585 45.585 45.742 -0.157 25663 7510 1 15 . 1 1 43 43 GLY H H 43 7.816 7.816 7.832 -0.016 25663 7511 1 15 . 1 1 44 44 PHE N N 44 125.650 125.650 120.087 5.563 25663 7512 1 15 . 1 1 44 44 PHE HA H 44 4.510 4.510 4.337 0.173 25663 7513 1 15 . 1 1 44 44 PHE C C 44 171.183 171.183 175.136 -3.953 25663 7514 1 15 . 1 1 44 44 PHE CA C 44 59.012 59.012 59.437 -0.424 25663 7515 1 15 . 1 1 44 44 PHE CB C 44 39.986 39.986 39.804 0.181 25663 7516 1 15 . 1 1 44 44 PHE H H 44 8.003 8.003 7.539 0.464 25663 7517 1 15 . 1 1 45 45 HIS N N 45 126.999 126.999 127.182 -0.183 25663 7518 1 15 . 1 1 45 45 HIS HA H 45 4.728 4.728 4.807 -0.079 25663 7519 1 15 . 1 1 45 45 HIS C C 45 175.134 175.134 173.214 1.920 25663 7520 1 15 . 1 1 45 45 HIS CA C 45 55.539 55.539 55.437 0.102 25663 7521 1 15 . 1 1 45 45 HIS CB C 45 34.586 34.586 30.637 3.949 25663 7522 1 15 . 1 1 45 45 HIS H H 45 7.326 7.326 8.134 -0.808 25663 7523 1 15 . 1 1 46 46 VAL N N 46 126.425 126.425 127.570 -1.145 25663 7524 1 15 . 1 1 46 46 VAL HA H 46 3.665 3.665 4.152 -0.487 25663 7525 1 15 . 1 1 46 46 VAL CA C 46 61.647 61.647 61.507 0.140 25663 7526 1 15 . 1 1 46 46 VAL CB C 46 35.141 35.141 34.703 0.438 25663 7527 1 15 . 1 1 46 46 VAL H H 46 8.147 8.147 8.262 -0.115 25663 7528 1 15 . 1 1 47 47 CYS N N 47 127.308 127.308 128.325 -1.017 25663 7529 1 15 . 1 1 47 47 CYS HA H 47 4.470 4.470 4.650 -0.180 25663 7530 1 15 . 1 1 47 47 CYS C C 47 172.533 172.533 174.165 -1.632 25663 7531 1 15 . 1 1 47 47 CYS CA C 47 55.259 55.259 58.213 -2.954 25663 7532 1 15 . 1 1 47 47 CYS CB C 47 44.867 44.867 24.605 20.262 25663 7533 1 15 . 1 1 47 47 CYS H H 47 8.675 8.675 8.917 -0.242 25663 7534 1 15 . 1 1 48 48 ALA N N 48 120.376 120.376 129.326 -8.950 25663 7535 1 15 . 1 1 48 48 ALA HA H 48 4.278 4.278 4.676 -0.398 25663 7536 1 15 . 1 1 48 48 ALA C C 48 173.936 173.936 175.646 -1.710 25663 7537 1 15 . 1 1 48 48 ALA CA C 48 51.286 51.286 51.697 -0.411 25663 7538 1 15 . 1 1 48 48 ALA CB C 48 19.831 19.831 20.734 -0.903 25663 7539 1 15 . 1 1 48 48 ALA H H 48 6.500 6.500 7.540 -1.040 25663 7540 1 15 . 1 1 49 49 ALA N N 49 130.715 130.715 125.480 5.235 25663 7541 1 15 . 1 1 49 49 ALA HA H 49 3.834 3.834 4.176 -0.342 25663 7542 1 15 . 1 1 49 49 ALA C C 49 176.061 176.061 176.179 -0.118 25663 7543 1 15 . 1 1 49 49 ALA CA C 49 53.466 53.466 51.736 1.730 25663 7544 1 15 . 1 1 49 49 ALA CB C 49 18.332 18.332 19.888 -1.556 25663 7545 1 15 . 1 1 49 49 ALA H H 49 8.424 8.424 8.166 0.258 25663 7546 1 15 . 1 1 50 50 GLY N N 50 107.085 107.085 106.908 0.177 25663 7547 1 15 . 1 1 50 50 GLY C C 50 170.793 170.793 172.010 -1.217 25663 7548 1 15 . 1 1 50 50 GLY CA C 50 43.792 43.792 44.731 -0.939 25663 7549 1 15 . 1 1 50 50 GLY H H 50 8.746 8.746 7.949 0.797 25663 7550 1 15 . 1 1 51 51 TRP N N 51 121.565 121.565 121.428 0.137 25663 7551 1 15 . 1 1 51 51 TRP HA H 51 4.960 4.960 4.710 0.250 25663 7552 1 15 . 1 1 51 51 TRP C C 51 174.095 174.095 176.053 -1.958 25663 7553 1 15 . 1 1 51 51 TRP CA C 51 58.852 58.852 56.995 1.857 25663 7554 1 15 . 1 1 51 51 TRP CB C 51 32.034 32.034 29.419 2.615 25663 7555 1 15 . 1 1 51 51 TRP H H 51 8.596 8.596 7.691 0.905 25663 7556 1 15 . 1 1 52 52 MET N N 52 118.713 118.713 123.963 -5.250 25663 7557 1 15 . 1 1 52 52 MET HA H 52 4.945 4.945 4.837 0.108 25663 7558 1 15 . 1 1 52 52 MET C C 52 174.575 174.575 176.401 -1.826 25663 7559 1 15 . 1 1 52 52 MET CA C 52 54.277 54.277 53.880 0.397 25663 7560 1 15 . 1 1 52 52 MET CB C 52 39.146 39.146 34.377 4.769 25663 7561 1 15 . 1 1 52 52 MET H H 52 9.116 9.116 8.924 0.192 25663 7562 1 15 . 1 1 53 53 ALA N N 53 120.116 120.116 121.975 -1.859 25663 7563 1 15 . 1 1 53 53 ALA HA H 53 4.186 4.186 4.140 0.046 25663 7564 1 15 . 1 1 53 53 ALA C C 53 178.250 178.250 178.659 -0.409 25663 7565 1 15 . 1 1 53 53 ALA CA C 53 53.791 53.791 53.983 -0.192 25663 7566 1 15 . 1 1 53 53 ALA CB C 53 19.462 19.462 19.128 0.334 25663 7567 1 15 . 1 1 53 53 ALA H H 53 8.517 8.517 8.552 -0.035 25663 7568 1 15 . 1 1 54 54 LYS N N 54 112.641 112.641 118.938 -6.297 25663 7569 1 15 . 1 1 54 54 LYS HA H 54 3.857 3.857 3.820 0.037 25663 7570 1 15 . 1 1 54 54 LYS C C 54 175.913 175.913 177.156 -1.243 25663 7571 1 15 . 1 1 54 54 LYS CA C 54 57.608 57.608 57.574 0.034 25663 7572 1 15 . 1 1 54 54 LYS CB C 54 29.796 29.796 31.113 -1.317 25663 7573 1 15 . 1 1 54 54 LYS H H 54 8.866 8.866 9.011 -0.145 25663 7574 1 15 . 1 1 55 55 GLY N N 55 104.227 104.227 105.369 -1.142 25663 7575 1 15 . 1 1 55 55 GLY C C 55 173.820 173.820 173.845 -0.025 25663 7576 1 15 . 1 1 55 55 GLY CA C 55 45.933 45.933 45.332 0.601 25663 7577 1 15 . 1 1 55 55 GLY H H 55 8.239 8.239 8.418 -0.179 25663 7578 1 15 . 1 1 56 56 ARG N N 56 122.045 122.045 119.608 2.437 25663 7579 1 15 . 1 1 56 56 ARG HA H 56 4.771 4.771 4.456 0.315 25663 7580 1 15 . 1 1 56 56 ARG C C 56 173.828 173.828 174.291 -0.463 25663 7581 1 15 . 1 1 56 56 ARG CA C 56 55.010 55.010 56.695 -1.685 25663 7582 1 15 . 1 1 56 56 ARG CB C 56 31.939 31.939 32.001 -0.062 25663 7583 1 15 . 1 1 56 56 ARG H H 56 6.825 6.825 8.166 -1.341 25663 7584 1 15 . 1 1 57 57 VAL N N 57 122.581 122.581 123.968 -1.387 25663 7585 1 15 . 1 1 57 57 VAL HA H 57 4.632 4.632 5.017 -0.385 25663 7586 1 15 . 1 1 57 57 VAL C C 57 173.775 173.775 174.296 -0.521 25663 7587 1 15 . 1 1 57 57 VAL CA C 57 59.946 59.946 60.088 -0.142 25663 7588 1 15 . 1 1 57 57 VAL CB C 57 35.191 35.191 35.472 -0.281 25663 7589 1 15 . 1 1 57 57 VAL H H 57 7.084 7.084 8.557 -1.473 25663 7590 1 15 . 1 1 58 58 GLY N N 58 112.994 112.994 115.384 -2.390 25663 7591 1 15 . 1 1 58 58 GLY C C 58 171.431 171.431 172.343 -0.912 25663 7592 1 15 . 1 1 58 58 GLY CA C 58 46.285 46.285 45.428 0.857 25663 7593 1 15 . 1 1 58 58 GLY H H 58 8.112 8.112 7.806 0.306 25663 7594 1 15 . 1 1 59 59 TYR N N 59 111.540 111.540 122.269 -10.729 25663 7595 1 15 . 1 1 59 59 TYR HA H 59 4.337 4.337 4.816 -0.479 25663 7596 1 15 . 1 1 59 59 TYR CA C 59 55.972 55.972 54.943 1.030 25663 7597 1 15 . 1 1 59 59 TYR CB C 59 34.363 34.363 41.143 -6.780 25663 7598 1 15 . 1 1 59 59 TYR H H 59 7.796 7.796 8.300 -0.504 25663 7599 1 15 . 1 1 60 60 PRO HA H 60 4.497 4.497 4.663 -0.166 25663 7600 1 15 . 1 1 60 60 PRO CA C 60 62.231 62.231 63.163 -0.932 25663 7601 1 15 . 1 1 60 60 PRO CB C 60 33.314 33.314 32.083 1.231 25663 7602 1 15 . 1 1 61 61 ILE HA H 61 4.444 4.444 4.296 0.148 25663 7603 1 15 . 1 1 61 61 ILE CA C 61 56.601 56.601 60.296 -3.695 25663 7604 1 15 . 1 1 61 61 ILE CB C 61 38.417 38.417 39.908 -1.491 25663 7605 1 15 . 1 1 62 62 VAL HA H 62 3.935 3.935 3.679 0.256 25663 7606 1 15 . 1 1 62 62 VAL CA C 62 64.377 64.377 65.016 -0.639 25663 7607 1 15 . 1 1 62 62 VAL CB C 62 34.087 34.087 31.559 2.528 25663 7608 1 15 . 1 1 62 62 VAL H H 62 11.229 11.229 8.251 2.978 25663 7609 1 15 . 1 1 63 63 LYS N N 63 122.578 122.578 114.228 8.350 25663 7610 1 15 . 1 1 63 63 LYS HA H 63 4.753 4.753 4.641 0.112 25663 7611 1 15 . 1 1 63 63 LYS CA C 63 52.473 52.473 52.655 -0.182 25663 7612 1 15 . 1 1 63 63 LYS CB C 63 32.983 32.983 33.848 -0.865 25663 7613 1 15 . 1 1 63 63 LYS H H 63 7.501 7.501 7.228 0.273 25663 7614 1 15 . 1 1 64 64 PRO HA H 64 4.362 4.362 4.475 -0.113 25663 7615 1 15 . 1 1 64 64 PRO CA C 64 63.124 63.124 63.211 -0.087 25663 7616 1 15 . 1 1 64 64 PRO CB C 64 32.121 32.121 32.163 -0.043 25663 7617 1 15 . 1 1 65 65 GLY CA C 65 45.512 45.512 42.968 2.545 25663 7618 1 15 . 1 1 65 65 GLY H H 65 8.377 8.377 7.934 0.443 25663 7619 1 15 . 1 1 66 66 PRO HA H 66 4.010 4.010 4.460 -0.450 25663 7620 1 15 . 1 1 66 66 PRO C C 66 177.072 177.072 177.235 -0.163 25663 7621 1 15 . 1 1 66 66 PRO CA C 66 64.765 64.765 64.400 0.365 25663 7622 1 15 . 1 1 66 66 PRO CB C 66 32.121 32.121 32.421 -0.300 25663 7623 1 15 . 1 1 67 67 ASN N N 67 114.419 114.419 117.346 -2.927 25663 7624 1 15 . 1 1 67 67 ASN HA H 67 4.995 4.995 4.650 0.345 25663 7625 1 15 . 1 1 67 67 ASN C C 67 173.872 173.872 175.256 -1.384 25663 7626 1 15 . 1 1 67 67 ASN CA C 67 52.349 52.349 53.398 -1.048 25663 7627 1 15 . 1 1 67 67 ASN CB C 67 38.955 38.955 38.566 0.389 25663 7628 1 15 . 1 1 67 67 ASN H H 67 8.330 8.330 8.499 -0.169 25663 7629 1 15 . 1 1 68 68 CYS N N 68 118.995 118.995 115.690 3.305 25663 7630 1 15 . 1 1 68 68 CYS HA H 68 5.034 5.034 4.799 0.235 25663 7631 1 15 . 1 1 68 68 CYS CA C 68 54.247 54.247 57.673 -3.426 25663 7632 1 15 . 1 1 68 68 CYS CB C 68 44.260 44.260 29.240 15.020 25663 7633 1 15 . 1 1 68 68 CYS H H 68 7.327 7.327 7.741 -0.414 25663 7634 1 15 . 1 1 70 70 PHE HA H 70 4.305 4.305 4.403 -0.098 25663 7635 1 15 . 1 1 70 70 PHE CA C 70 58.889 58.889 58.742 0.147 25663 7636 1 15 . 1 1 70 70 PHE CB C 70 36.557 36.557 39.069 -2.512 25663 7637 1 15 . 1 1 71 71 GLY N N 71 105.368 105.368 106.342 -0.974 25663 7638 1 15 . 1 1 71 71 GLY CA C 71 46.043 46.043 45.027 1.016 25663 7639 1 15 . 1 1 71 71 GLY H H 71 7.339 7.339 7.521 -0.182 25663 7640 1 15 . 1 1 72 72 LYS N N 72 120.404 120.404 118.178 2.226 25663 7641 1 15 . 1 1 72 72 LYS HA H 72 4.264 4.264 4.569 -0.305 25663 7642 1 15 . 1 1 72 72 LYS C C 72 175.440 175.440 174.763 0.677 25663 7643 1 15 . 1 1 72 72 LYS CA C 72 56.413 56.413 56.375 0.038 25663 7644 1 15 . 1 1 72 72 LYS CB C 72 33.686 33.686 32.617 1.069 25663 7645 1 15 . 1 1 72 72 LYS H H 72 6.946 6.946 8.344 -1.398 25663 7646 1 15 . 1 1 73 73 THR N N 73 110.334 110.334 112.941 -2.607 25663 7647 1 15 . 1 1 73 73 THR HA H 73 4.233 4.233 4.437 -0.204 25663 7648 1 15 . 1 1 73 73 THR C C 73 173.774 173.774 174.350 -0.576 25663 7649 1 15 . 1 1 73 73 THR CA C 73 60.879 60.879 61.041 -0.162 25663 7650 1 15 . 1 1 73 73 THR CB C 73 70.841 70.841 71.023 -0.182 25663 7651 1 15 . 1 1 73 73 THR H H 73 7.911 7.911 7.701 0.210 25663 7652 1 15 . 1 1 74 74 GLY N N 74 109.589 109.589 109.074 0.515 25663 7653 1 15 . 1 1 74 74 GLY C C 74 172.715 172.715 174.645 -1.930 25663 7654 1 15 . 1 1 74 74 GLY CA C 74 43.404 43.404 46.268 -2.864 25663 7655 1 15 . 1 1 74 74 GLY H H 74 7.904 7.904 8.466 -0.562 25663 7656 1 15 . 1 1 75 75 ILE N N 75 120.787 120.787 122.530 -1.743 25663 7657 1 15 . 1 1 75 75 ILE HA H 75 4.221 4.221 4.195 0.026 25663 7658 1 15 . 1 1 75 75 ILE C C 75 176.249 176.249 176.337 -0.088 25663 7659 1 15 . 1 1 75 75 ILE CA C 75 59.422 59.422 61.415 -1.993 25663 7660 1 15 . 1 1 75 75 ILE CB C 75 36.008 36.008 38.420 -2.412 25663 7661 1 15 . 1 1 75 75 ILE H H 75 8.265 8.265 8.250 0.015 25663 7662 1 15 . 1 1 76 76 ILE N N 76 134.542 134.542 122.509 12.033 25663 7663 1 15 . 1 1 76 76 ILE HA H 76 3.587 3.587 4.442 -0.855 25663 7664 1 15 . 1 1 76 76 ILE C C 76 173.769 173.769 175.084 -1.315 25663 7665 1 15 . 1 1 76 76 ILE CA C 76 59.599 59.599 59.731 -0.132 25663 7666 1 15 . 1 1 76 76 ILE CB C 76 33.139 33.139 38.123 -4.984 25663 7667 1 15 . 1 1 76 76 ILE H H 76 8.660 8.660 8.509 0.151 25663 7668 1 15 . 1 1 77 77 ASP N N 77 126.213 126.213 121.141 5.072 25663 7669 1 15 . 1 1 77 77 ASP HA H 77 4.790 4.790 4.995 -0.205 25663 7670 1 15 . 1 1 77 77 ASP C C 77 176.390 176.390 176.841 -0.451 25663 7671 1 15 . 1 1 77 77 ASP CA C 77 52.927 52.927 53.314 -0.387 25663 7672 1 15 . 1 1 77 77 ASP CB C 77 44.224 44.224 41.650 2.574 25663 7673 1 15 . 1 1 77 77 ASP H H 77 7.925 7.925 8.031 -0.106 25663 7674 1 15 . 1 1 78 78 TYR N N 78 126.424 126.424 126.648 -0.224 25663 7675 1 15 . 1 1 78 78 TYR HA H 78 4.780 4.780 4.354 0.426 25663 7676 1 15 . 1 1 78 78 TYR C C 78 177.025 177.025 176.562 0.463 25663 7677 1 15 . 1 1 78 78 TYR CA C 78 54.257 54.257 59.278 -5.021 25663 7678 1 15 . 1 1 78 78 TYR CB C 78 36.513 36.513 38.980 -2.467 25663 7679 1 15 . 1 1 78 78 TYR H H 78 9.313 9.313 8.930 0.383 25663 7680 1 15 . 1 1 79 79 GLY N N 79 110.776 110.776 105.940 4.836 25663 7681 1 15 . 1 1 79 79 GLY C C 79 172.389 172.389 173.678 -1.289 25663 7682 1 15 . 1 1 79 79 GLY CA C 79 44.317 44.317 44.478 -0.161 25663 7683 1 15 . 1 1 79 79 GLY H H 79 8.880 8.880 7.994 0.886 25663 7684 1 15 . 1 1 80 80 ILE N N 80 117.437 117.437 118.493 -1.056 25663 7685 1 15 . 1 1 80 80 ILE HA H 80 3.897 3.897 3.701 0.196 25663 7686 1 15 . 1 1 80 80 ILE C C 80 177.495 177.495 174.915 2.580 25663 7687 1 15 . 1 1 80 80 ILE CA C 80 61.293 61.293 62.448 -1.155 25663 7688 1 15 . 1 1 80 80 ILE CB C 80 36.412 36.412 37.922 -1.510 25663 7689 1 15 . 1 1 80 80 ILE H H 80 8.189 8.189 8.413 -0.224 25663 7690 1 15 . 1 1 81 81 ARG N N 81 128.585 128.585 125.858 2.727 25663 7691 1 15 . 1 1 81 81 ARG HA H 81 4.367 4.367 4.711 -0.344 25663 7692 1 15 . 1 1 81 81 ARG CA C 81 52.745 52.745 53.751 -1.006 25663 7693 1 15 . 1 1 81 81 ARG CB C 81 27.133 27.133 31.598 -4.465 25663 7694 1 15 . 1 1 81 81 ARG H H 81 8.367 8.367 8.576 -0.209 25663 7695 1 15 . 1 1 82 82 LEU HA H 82 4.145 4.145 4.289 -0.144 25663 7696 1 15 . 1 1 82 82 LEU C C 82 177.546 177.546 177.430 0.116 25663 7697 1 15 . 1 1 82 82 LEU CA C 82 56.857 56.857 55.643 1.214 25663 7698 1 15 . 1 1 82 82 LEU CB C 82 42.266 42.266 41.712 0.553 25663 7699 1 15 . 1 1 82 82 LEU H H 82 8.226 8.226 8.694 -0.468 25663 7700 1 15 . 1 1 83 83 ASN N N 83 115.779 115.779 115.519 0.260 25663 7701 1 15 . 1 1 83 83 ASN HA H 83 4.913 4.913 4.818 0.095 25663 7702 1 15 . 1 1 83 83 ASN C C 83 175.764 175.764 175.994 -0.230 25663 7703 1 15 . 1 1 83 83 ASN CA C 83 51.627 51.627 52.410 -0.784 25663 7704 1 15 . 1 1 83 83 ASN CB C 83 37.505 37.505 37.853 -0.348 25663 7705 1 15 . 1 1 83 83 ASN H H 83 8.628 8.628 8.300 0.328 25663 7706 1 15 . 1 1 84 84 ARG N N 84 121.554 121.554 119.847 1.707 25663 7707 1 15 . 1 1 84 84 ARG HA H 84 4.637 4.637 3.383 1.254 25663 7708 1 15 . 1 1 84 84 ARG C C 84 177.197 177.197 176.405 0.792 25663 7709 1 15 . 1 1 84 84 ARG CA C 84 56.695 56.695 58.631 -1.936 25663 7710 1 15 . 1 1 84 84 ARG CB C 84 29.361 29.361 29.455 -0.094 25663 7711 1 15 . 1 1 84 84 ARG H H 84 8.593 8.593 7.424 1.169 25663 7712 1 15 . 1 1 85 85 SER N N 85 116.623 116.623 111.763 4.860 25663 7713 1 15 . 1 1 85 85 SER HA H 85 4.628 4.628 4.316 0.312 25663 7714 1 15 . 1 1 85 85 SER C C 85 174.403 174.403 175.545 -1.142 25663 7715 1 15 . 1 1 85 85 SER CA C 85 58.827 58.827 59.856 -1.029 25663 7716 1 15 . 1 1 85 85 SER CB C 85 62.996 62.996 62.477 0.519 25663 7717 1 15 . 1 1 85 85 SER H H 85 8.567 8.567 8.151 0.416 25663 7718 1 15 . 1 1 86 86 GLU N N 86 121.171 121.171 122.044 -0.873 25663 7719 1 15 . 1 1 86 86 GLU HA H 86 3.864 3.864 4.315 -0.451 25663 7720 1 15 . 1 1 86 86 GLU C C 86 174.422 174.422 176.792 -2.370 25663 7721 1 15 . 1 1 86 86 GLU CA C 86 57.520 57.520 57.094 0.426 25663 7722 1 15 . 1 1 86 86 GLU CB C 86 31.292 31.292 30.794 0.498 25663 7723 1 15 . 1 1 86 86 GLU H H 86 7.219 7.219 8.134 -0.915 25663 7724 1 15 . 1 1 87 87 ARG N N 87 118.124 118.124 119.414 -1.290 25663 7725 1 15 . 1 1 87 87 ARG HA H 87 4.687 4.687 4.639 0.048 25663 7726 1 15 . 1 1 87 87 ARG C C 87 173.408 173.408 175.289 -1.881 25663 7727 1 15 . 1 1 87 87 ARG CA C 87 54.387 54.387 55.763 -1.376 25663 7728 1 15 . 1 1 87 87 ARG CB C 87 31.544 31.544 32.370 -0.826 25663 7729 1 15 . 1 1 87 87 ARG H H 87 7.263 7.263 8.643 -1.380 25663 7730 1 15 . 1 1 88 88 TRP N N 88 121.383 121.383 123.429 -2.046 25663 7731 1 15 . 1 1 88 88 TRP HA H 88 4.899 4.899 5.077 -0.178 25663 7732 1 15 . 1 1 88 88 TRP CA C 88 54.508 54.508 56.958 -2.450 25663 7733 1 15 . 1 1 88 88 TRP CB C 88 33.610 33.610 32.478 1.132 25663 7734 1 15 . 1 1 88 88 TRP H H 88 8.811 8.811 9.208 -0.397 25663 7735 1 15 . 1 1 89 89 ASP N N 89 119.285 119.285 119.167 0.118 25663 7736 1 15 . 1 1 89 89 ASP HA H 89 5.602 5.602 4.589 1.013 25663 7737 1 15 . 1 1 89 89 ASP C C 89 173.648 173.648 174.864 -1.216 25663 7738 1 15 . 1 1 89 89 ASP CA C 89 54.558 54.558 54.125 0.433 25663 7739 1 15 . 1 1 89 89 ASP CB C 89 40.438 40.438 41.500 -1.062 25663 7740 1 15 . 1 1 89 89 ASP H H 89 8.552 8.552 8.723 -0.171 25663 7741 1 15 . 1 1 90 90 ALA N N 90 121.014 121.014 118.502 2.512 25663 7742 1 15 . 1 1 90 90 ALA HA H 90 5.095 5.095 4.311 0.784 25663 7743 1 15 . 1 1 90 90 ALA C C 90 175.076 175.076 174.502 0.574 25663 7744 1 15 . 1 1 90 90 ALA CA C 90 52.089 52.089 51.514 0.575 25663 7745 1 15 . 1 1 90 90 ALA CB C 90 23.118 23.118 21.687 1.431 25663 7746 1 15 . 1 1 90 90 ALA H H 90 8.449 8.449 8.017 0.432 25663 7747 1 15 . 1 1 91 91 TYR N N 91 118.243 118.243 118.197 0.046 25663 7748 1 15 . 1 1 91 91 TYR HA H 91 5.072 5.072 4.867 0.205 25663 7749 1 15 . 1 1 91 91 TYR C C 91 174.671 174.671 175.059 -0.388 25663 7750 1 15 . 1 1 91 91 TYR CA C 91 58.787 58.787 56.755 2.032 25663 7751 1 15 . 1 1 91 91 TYR CB C 91 40.686 40.686 41.591 -0.905 25663 7752 1 15 . 1 1 91 91 TYR H H 91 8.421 8.421 8.259 0.162 25663 7753 1 15 . 1 1 92 92 CYS N N 92 119.931 119.931 118.595 1.336 25663 7754 1 15 . 1 1 92 92 CYS HA H 92 5.263 5.263 4.864 0.399 25663 7755 1 15 . 1 1 92 92 CYS C C 92 172.698 172.698 172.888 -0.190 25663 7756 1 15 . 1 1 92 92 CYS CA C 92 50.601 50.601 57.218 -6.617 25663 7757 1 15 . 1 1 92 92 CYS CB C 92 37.818 37.818 31.078 6.740 25663 7758 1 15 . 1 1 92 92 CYS H H 92 8.459 8.459 8.928 -0.469 25663 7759 1 15 . 1 1 93 93 TYR N N 93 120.805 120.805 120.507 0.298 25663 7760 1 15 . 1 1 93 93 TYR HA H 93 4.903 4.903 4.768 0.135 25663 7761 1 15 . 1 1 93 93 TYR C C 93 173.902 173.902 173.434 0.468 25663 7762 1 15 . 1 1 93 93 TYR CA C 93 57.096 57.096 57.701 -0.605 25663 7763 1 15 . 1 1 93 93 TYR CB C 93 41.665 41.665 42.705 -1.040 25663 7764 1 15 . 1 1 93 93 TYR H H 93 9.410 9.410 8.698 0.712 25663 7765 1 15 . 1 1 94 94 ASN N N 94 124.511 124.511 122.432 2.079 25663 7766 1 15 . 1 1 94 94 ASN HA H 94 4.774 4.774 4.963 -0.189 25663 7767 1 15 . 1 1 94 94 ASN CA C 94 49.599 49.599 50.208 -0.609 25663 7768 1 15 . 1 1 94 94 ASN CB C 94 41.642 41.642 40.506 1.136 25663 7769 1 15 . 1 1 94 94 ASN H H 94 7.832 7.832 7.094 0.738 25663 7770 1 15 . 1 1 95 95 PRO HA H 95 4.141 4.141 4.417 -0.276 25663 7771 1 15 . 1 1 95 95 PRO C C 95 176.345 176.345 175.917 0.428 25663 7772 1 15 . 1 1 95 95 PRO CA C 95 63.800 63.800 63.614 0.186 25663 7773 1 15 . 1 1 95 95 PRO CB C 95 32.046 32.046 31.104 0.942 25663 7774 1 15 . 1 1 96 96 HIS N N 96 116.009 116.009 120.511 -4.502 25663 7775 1 15 . 1 1 96 96 HIS HA H 96 4.623 4.623 4.430 0.193 25663 7776 1 15 . 1 1 96 96 HIS C C 96 173.999 173.999 174.885 -0.886 25663 7777 1 15 . 1 1 96 96 HIS CA C 96 55.046 55.046 54.526 0.520 25663 7778 1 15 . 1 1 96 96 HIS CB C 96 28.821 28.821 29.799 -0.978 25663 7779 1 15 . 1 1 96 96 HIS H H 96 8.354 8.354 7.096 1.258 25663 7780 1 15 . 1 1 97 97 ALA N N 97 123.775 123.775 122.548 1.227 25663 7781 1 15 . 1 1 97 97 ALA HA H 97 4.269 4.269 4.055 0.214 25663 7782 1 15 . 1 1 97 97 ALA C C 97 176.350 176.350 176.353 -0.003 25663 7783 1 15 . 1 1 97 97 ALA CA C 97 51.796 51.796 53.087 -1.291 25663 7784 1 15 . 1 1 97 97 ALA CB C 97 19.648 19.648 18.067 1.581 25663 7785 1 15 . 1 1 97 97 ALA H H 97 7.387 7.387 8.348 -0.961 25663 7786 1 16 . 1 1 2 2 VAL N N 2 122.742 122.742 117.077 5.665 25663 7787 1 16 . 1 1 2 2 VAL HA H 2 5.257 5.257 4.654 0.603 25663 7788 1 16 . 1 1 2 2 VAL C C 2 174.533 174.533 174.263 0.270 25663 7789 1 16 . 1 1 2 2 VAL CA C 2 60.536 60.536 60.656 -0.120 25663 7790 1 16 . 1 1 2 2 VAL CB C 2 33.278 33.278 33.625 -0.347 25663 7791 1 16 . 1 1 2 2 VAL H H 2 8.486 8.486 7.399 1.087 25663 7792 1 16 . 1 1 3 3 TYR N N 3 120.172 120.172 122.189 -2.017 25663 7793 1 16 . 1 1 3 3 TYR HA H 3 4.964 4.964 5.016 -0.052 25663 7794 1 16 . 1 1 3 3 TYR C C 3 173.399 173.399 174.683 -1.284 25663 7795 1 16 . 1 1 3 3 TYR CA C 3 56.073 56.073 56.401 -0.328 25663 7796 1 16 . 1 1 3 3 TYR CB C 3 40.278 40.278 40.493 -0.215 25663 7797 1 16 . 1 1 3 3 TYR H H 3 8.715 8.715 8.250 0.465 25663 7798 1 16 . 1 1 4 4 HIS N N 4 121.237 121.237 122.677 -1.440 25663 7799 1 16 . 1 1 4 4 HIS HA H 4 4.929 4.929 4.677 0.252 25663 7800 1 16 . 1 1 4 4 HIS C C 4 172.844 172.844 175.149 -2.305 25663 7801 1 16 . 1 1 4 4 HIS CA C 4 54.154 54.154 56.375 -2.221 25663 7802 1 16 . 1 1 4 4 HIS CB C 4 30.961 30.961 30.409 0.552 25663 7803 1 16 . 1 1 4 4 HIS H H 4 9.414 9.414 8.765 0.649 25663 7804 1 16 . 1 1 5 5 ARG N N 5 128.770 128.770 127.243 1.527 25663 7805 1 16 . 1 1 5 5 ARG HA H 5 4.619 4.619 4.547 0.072 25663 7806 1 16 . 1 1 5 5 ARG C C 5 172.967 172.967 174.333 -1.366 25663 7807 1 16 . 1 1 5 5 ARG CA C 5 53.177 53.177 54.748 -1.571 25663 7808 1 16 . 1 1 5 5 ARG CB C 5 33.832 33.832 32.088 1.744 25663 7809 1 16 . 1 1 5 5 ARG H H 5 8.805 8.805 8.429 0.376 25663 7810 1 16 . 1 1 6 6 GLU N N 6 121.037 121.037 119.546 1.491 25663 7811 1 16 . 1 1 6 6 GLU HA H 6 4.490 4.490 4.456 0.034 25663 7812 1 16 . 1 1 6 6 GLU C C 6 176.264 176.264 175.306 0.958 25663 7813 1 16 . 1 1 6 6 GLU CA C 6 53.336 53.336 56.205 -2.869 25663 7814 1 16 . 1 1 6 6 GLU CB C 6 33.133 33.133 31.595 1.538 25663 7815 1 16 . 1 1 6 6 GLU H H 6 8.232 8.232 8.556 -0.324 25663 7816 1 16 . 1 1 7 7 ALA N N 7 123.438 123.438 128.141 -4.703 25663 7817 1 16 . 1 1 7 7 ALA HA H 7 4.215 4.215 4.536 -0.321 25663 7818 1 16 . 1 1 7 7 ALA C C 7 178.419 178.419 178.032 0.387 25663 7819 1 16 . 1 1 7 7 ALA CA C 7 52.182 52.182 51.916 0.266 25663 7820 1 16 . 1 1 7 7 ALA CB C 7 20.128 20.128 19.904 0.224 25663 7821 1 16 . 1 1 7 7 ALA H H 7 8.756 8.756 8.601 0.155 25663 7822 1 16 . 1 1 8 8 ARG N N 8 122.559 122.559 119.226 3.333 25663 7823 1 16 . 1 1 8 8 ARG HA H 8 3.998 3.998 4.164 -0.166 25663 7824 1 16 . 1 1 8 8 ARG C C 8 177.448 177.448 178.054 -0.606 25663 7825 1 16 . 1 1 8 8 ARG CA C 8 58.660 58.660 58.055 0.605 25663 7826 1 16 . 1 1 8 8 ARG CB C 8 29.406 29.406 30.161 -0.755 25663 7827 1 16 . 1 1 8 8 ARG H H 8 8.945 8.945 8.610 0.335 25663 7828 1 16 . 1 1 9 9 SER N N 9 107.309 107.309 114.517 -7.208 25663 7829 1 16 . 1 1 9 9 SER HA H 9 4.261 4.261 4.408 -0.147 25663 7830 1 16 . 1 1 9 9 SER C C 9 174.411 174.411 174.686 -0.275 25663 7831 1 16 . 1 1 9 9 SER CA C 9 58.081 58.081 59.454 -1.373 25663 7832 1 16 . 1 1 9 9 SER CB C 9 62.972 62.972 63.862 -0.890 25663 7833 1 16 . 1 1 9 9 SER H H 9 7.445 7.445 8.055 -0.610 25663 7834 1 16 . 1 1 10 10 GLY N N 10 109.574 109.574 109.000 0.574 25663 7835 1 16 . 1 1 10 10 GLY C C 10 171.580 171.580 172.326 -0.746 25663 7836 1 16 . 1 1 10 10 GLY CA C 10 44.036 44.036 44.568 -0.532 25663 7837 1 16 . 1 1 10 10 GLY H H 10 7.379 7.379 7.642 -0.263 25663 7838 1 16 . 1 1 11 11 LYS N N 11 121.683 121.683 119.282 2.401 25663 7839 1 16 . 1 1 11 11 LYS HA H 11 3.993 3.993 4.547 -0.554 25663 7840 1 16 . 1 1 11 11 LYS C C 11 175.995 175.995 176.136 -0.141 25663 7841 1 16 . 1 1 11 11 LYS CA C 11 57.374 57.374 55.469 1.905 25663 7842 1 16 . 1 1 11 11 LYS CB C 11 34.009 34.009 34.239 -0.230 25663 7843 1 16 . 1 1 11 11 LYS H H 11 8.040 8.040 8.233 -0.193 25663 7844 1 16 . 1 1 12 12 TYR N N 12 122.956 122.956 115.492 7.464 25663 7845 1 16 . 1 1 12 12 TYR HA H 12 3.990 3.990 4.284 -0.294 25663 7846 1 16 . 1 1 12 12 TYR C C 12 173.905 173.905 175.755 -1.850 25663 7847 1 16 . 1 1 12 12 TYR CA C 12 54.397 54.397 59.798 -5.401 25663 7848 1 16 . 1 1 12 12 TYR CB C 12 32.105 32.105 36.266 -4.161 25663 7849 1 16 . 1 1 12 12 TYR H H 12 9.830 9.830 8.891 0.939 25663 7850 1 16 . 1 1 13 13 LYS N N 13 114.683 114.683 117.762 -3.079 25663 7851 1 16 . 1 1 13 13 LYS HA H 13 4.577 4.577 4.437 0.140 25663 7852 1 16 . 1 1 13 13 LYS C C 13 176.999 176.999 174.865 2.134 25663 7853 1 16 . 1 1 13 13 LYS CA C 13 55.014 55.014 55.685 -0.671 25663 7854 1 16 . 1 1 13 13 LYS CB C 13 35.021 35.021 33.600 1.421 25663 7855 1 16 . 1 1 13 13 LYS H H 13 8.445 8.445 8.183 0.262 25663 7856 1 16 . 1 1 14 14 LEU N N 14 123.176 123.176 120.304 2.872 25663 7857 1 16 . 1 1 14 14 LEU HA H 14 5.122 5.122 4.946 0.176 25663 7858 1 16 . 1 1 14 14 LEU C C 14 178.304 178.304 176.357 1.947 25663 7859 1 16 . 1 1 14 14 LEU CA C 14 54.800 54.800 53.601 1.199 25663 7860 1 16 . 1 1 14 14 LEU CB C 14 43.528 43.528 45.574 -2.046 25663 7861 1 16 . 1 1 14 14 LEU H H 14 9.479 9.479 7.971 1.508 25663 7862 1 16 . 1 1 15 15 THR N N 15 116.144 116.144 118.311 -2.167 25663 7863 1 16 . 1 1 15 15 THR HA H 15 5.485 5.485 4.820 0.665 25663 7864 1 16 . 1 1 15 15 THR C C 15 174.697 174.697 174.698 -0.001 25663 7865 1 16 . 1 1 15 15 THR CA C 15 61.722 61.722 61.569 0.153 25663 7866 1 16 . 1 1 15 15 THR CB C 15 70.914 70.914 70.839 0.075 25663 7867 1 16 . 1 1 15 15 THR H H 15 8.792 8.792 8.282 0.510 25663 7868 1 16 . 1 1 16 16 TYR N N 16 120.594 120.594 124.833 -4.239 25663 7869 1 16 . 1 1 16 16 TYR HA H 16 2.375 2.375 3.594 -1.219 25663 7870 1 16 . 1 1 16 16 TYR C C 16 176.133 176.133 176.671 -0.538 25663 7871 1 16 . 1 1 16 16 TYR CA C 16 61.408 61.408 63.020 -1.611 25663 7872 1 16 . 1 1 16 16 TYR CB C 16 36.889 36.889 37.692 -0.803 25663 7873 1 16 . 1 1 16 16 TYR H H 16 7.402 7.402 8.432 -1.030 25663 7874 1 16 . 1 1 17 17 ALA N N 17 118.108 118.108 120.416 -2.308 25663 7875 1 16 . 1 1 17 17 ALA HA H 17 3.509 3.509 3.809 -0.300 25663 7876 1 16 . 1 1 17 17 ALA C C 17 181.575 181.575 179.139 2.436 25663 7877 1 16 . 1 1 17 17 ALA CA C 17 54.732 54.732 55.121 -0.389 25663 7878 1 16 . 1 1 17 17 ALA CB C 17 18.124 18.124 17.819 0.305 25663 7879 1 16 . 1 1 17 17 ALA H H 17 8.545 8.545 8.563 -0.018 25663 7880 1 16 . 1 1 18 18 GLU N N 18 117.696 117.696 119.186 -1.490 25663 7881 1 16 . 1 1 18 18 GLU HA H 18 3.879 3.879 3.979 -0.100 25663 7882 1 16 . 1 1 18 18 GLU C C 18 178.624 178.624 178.739 -0.115 25663 7883 1 16 . 1 1 18 18 GLU CA C 18 58.432 58.432 58.418 0.014 25663 7884 1 16 . 1 1 18 18 GLU CB C 18 30.814 30.814 29.343 1.471 25663 7885 1 16 . 1 1 18 18 GLU H H 18 7.327 7.327 7.684 -0.357 25663 7886 1 16 . 1 1 19 19 ALA N N 19 124.629 124.629 122.172 2.457 25663 7887 1 16 . 1 1 19 19 ALA HA H 19 3.871 3.871 3.948 -0.077 25663 7888 1 16 . 1 1 19 19 ALA C C 19 177.371 177.371 179.427 -2.056 25663 7889 1 16 . 1 1 19 19 ALA CA C 19 54.955 54.955 54.916 0.039 25663 7890 1 16 . 1 1 19 19 ALA CB C 19 19.893 19.893 18.171 1.722 25663 7891 1 16 . 1 1 19 19 ALA H H 19 8.744 8.744 8.638 0.106 25663 7892 1 16 . 1 1 20 20 LYS N N 20 117.842 117.842 118.491 -0.649 25663 7893 1 16 . 1 1 20 20 LYS HA H 20 3.435 3.435 3.845 -0.410 25663 7894 1 16 . 1 1 20 20 LYS C C 20 178.017 178.017 179.075 -1.058 25663 7895 1 16 . 1 1 20 20 LYS CA C 20 60.086 60.086 58.948 1.138 25663 7896 1 16 . 1 1 20 20 LYS CB C 20 33.186 33.186 32.008 1.178 25663 7897 1 16 . 1 1 20 20 LYS H H 20 8.188 8.188 7.489 0.699 25663 7898 1 16 . 1 1 21 21 ALA N N 21 117.564 117.564 122.314 -4.750 25663 7899 1 16 . 1 1 21 21 ALA HA H 21 4.040 4.040 4.081 -0.041 25663 7900 1 16 . 1 1 21 21 ALA C C 21 180.598 180.598 178.976 1.622 25663 7901 1 16 . 1 1 21 21 ALA CA C 21 54.991 54.991 54.824 0.167 25663 7902 1 16 . 1 1 21 21 ALA CB C 21 18.071 18.071 18.265 -0.194 25663 7903 1 16 . 1 1 21 21 ALA H H 21 7.382 7.382 7.555 -0.173 25663 7904 1 16 . 1 1 22 22 VAL N N 22 120.351 120.351 114.722 5.629 25663 7905 1 16 . 1 1 22 22 VAL HA H 22 3.883 3.883 3.796 0.087 25663 7906 1 16 . 1 1 22 22 VAL C C 22 177.921 177.921 175.796 2.125 25663 7907 1 16 . 1 1 22 22 VAL CA C 22 66.242 66.242 65.000 1.242 25663 7908 1 16 . 1 1 22 22 VAL CB C 22 31.136 31.136 31.280 -0.144 25663 7909 1 16 . 1 1 22 22 VAL H H 22 8.203 8.203 7.570 0.633 25663 7910 1 16 . 1 1 23 23 CYS N N 23 116.368 116.368 115.630 0.738 25663 7911 1 16 . 1 1 23 23 CYS HA H 23 4.352 4.352 4.583 -0.231 25663 7912 1 16 . 1 1 23 23 CYS C C 23 178.687 178.687 173.844 4.843 25663 7913 1 16 . 1 1 23 23 CYS CA C 23 55.224 55.224 57.733 -2.509 25663 7914 1 16 . 1 1 23 23 CYS CB C 23 33.542 33.542 29.682 3.860 25663 7915 1 16 . 1 1 23 23 CYS H H 23 7.788 7.788 7.525 0.263 25663 7916 1 16 . 1 1 24 24 GLU N N 24 120.341 120.341 116.713 3.628 25663 7917 1 16 . 1 1 24 24 GLU HA H 24 4.259 4.259 4.141 0.118 25663 7918 1 16 . 1 1 24 24 GLU C C 24 180.516 180.516 177.623 2.893 25663 7919 1 16 . 1 1 24 24 GLU CA C 24 58.412 58.412 58.621 -0.209 25663 7920 1 16 . 1 1 24 24 GLU CB C 24 28.855 28.855 29.023 -0.168 25663 7921 1 16 . 1 1 24 24 GLU H H 24 8.196 8.196 8.841 -0.645 25663 7922 1 16 . 1 1 25 25 PHE N N 25 124.937 124.937 119.352 5.585 25663 7923 1 16 . 1 1 25 25 PHE HA H 25 4.267 4.267 4.205 0.062 25663 7924 1 16 . 1 1 25 25 PHE C C 25 177.593 177.593 176.393 1.200 25663 7925 1 16 . 1 1 25 25 PHE CA C 25 60.845 60.845 60.957 -0.112 25663 7926 1 16 . 1 1 25 25 PHE CB C 25 39.035 39.035 39.364 -0.329 25663 7927 1 16 . 1 1 25 25 PHE H H 25 8.946 8.946 8.402 0.544 25663 7928 1 16 . 1 1 26 26 GLU N N 26 114.486 114.486 117.739 -3.253 25663 7929 1 16 . 1 1 26 26 GLU HA H 26 4.090 4.090 4.257 -0.167 25663 7930 1 16 . 1 1 26 26 GLU C C 26 175.712 175.712 176.919 -1.207 25663 7931 1 16 . 1 1 26 26 GLU CA C 26 56.249 56.249 56.188 0.061 25663 7932 1 16 . 1 1 26 26 GLU CB C 26 29.418 29.418 29.434 -0.016 25663 7933 1 16 . 1 1 26 26 GLU H H 26 7.359 7.359 8.482 -1.123 25663 7934 1 16 . 1 1 27 27 GLY N N 27 106.503 106.503 108.497 -1.994 25663 7935 1 16 . 1 1 27 27 GLY C C 27 174.107 174.107 173.642 0.465 25663 7936 1 16 . 1 1 27 27 GLY CA C 27 45.426 45.426 44.986 0.440 25663 7937 1 16 . 1 1 27 27 GLY H H 27 7.695 7.695 7.731 -0.036 25663 7938 1 16 . 1 1 28 28 GLY N N 28 109.515 109.515 109.130 0.385 25663 7939 1 16 . 1 1 28 28 GLY C C 28 172.079 172.079 172.839 -0.760 25663 7940 1 16 . 1 1 28 28 GLY CA C 28 43.788 43.788 44.260 -0.472 25663 7941 1 16 . 1 1 28 28 GLY H H 28 7.745 7.745 7.889 -0.144 25663 7942 1 16 . 1 1 29 29 HIS N N 29 116.220 116.220 115.502 0.718 25663 7943 1 16 . 1 1 29 29 HIS HA H 29 4.865 4.865 4.788 0.077 25663 7944 1 16 . 1 1 29 29 HIS C C 29 174.118 174.118 173.572 0.546 25663 7945 1 16 . 1 1 29 29 HIS CA C 29 54.169 54.169 54.959 -0.790 25663 7946 1 16 . 1 1 29 29 HIS CB C 29 33.436 33.436 30.872 2.564 25663 7947 1 16 . 1 1 29 29 HIS H H 29 8.412 8.412 8.147 0.265 25663 7948 1 16 . 1 1 30 30 LEU N N 30 124.046 124.046 120.448 3.598 25663 7949 1 16 . 1 1 30 30 LEU HA H 30 4.912 4.912 4.510 0.402 25663 7950 1 16 . 1 1 30 30 LEU C C 30 178.158 178.158 177.389 0.769 25663 7951 1 16 . 1 1 30 30 LEU CA C 30 56.817 56.817 54.533 2.284 25663 7952 1 16 . 1 1 30 30 LEU CB C 30 42.534 42.534 42.591 -0.057 25663 7953 1 16 . 1 1 30 30 LEU H H 30 9.399 9.399 8.520 0.879 25663 7954 1 16 . 1 1 31 31 ALA N N 31 126.730 126.730 126.520 0.210 25663 7955 1 16 . 1 1 31 31 ALA HA H 31 4.403 4.403 4.101 0.302 25663 7956 1 16 . 1 1 31 31 ALA C C 31 176.879 176.879 176.502 0.377 25663 7957 1 16 . 1 1 31 31 ALA CA C 31 52.006 52.006 52.663 -0.657 25663 7958 1 16 . 1 1 31 31 ALA CB C 31 19.593 19.593 19.248 0.345 25663 7959 1 16 . 1 1 31 31 ALA H H 31 9.331 9.331 8.141 1.190 25663 7960 1 16 . 1 1 32 32 THR N N 32 111.206 111.206 117.619 -6.413 25663 7961 1 16 . 1 1 32 32 THR HA H 32 4.528 4.528 4.639 -0.111 25663 7962 1 16 . 1 1 32 32 THR C C 32 174.899 174.899 174.473 0.426 25663 7963 1 16 . 1 1 32 32 THR CA C 32 59.818 59.818 60.721 -0.903 25663 7964 1 16 . 1 1 32 32 THR CB C 32 70.949 70.949 71.575 -0.626 25663 7965 1 16 . 1 1 32 32 THR H H 32 8.511 8.511 8.188 0.323 25663 7966 1 16 . 1 1 33 33 TYR N N 33 121.971 121.971 127.139 -5.168 25663 7967 1 16 . 1 1 33 33 TYR HA H 33 3.745 3.745 4.121 -0.376 25663 7968 1 16 . 1 1 33 33 TYR C C 33 176.176 176.176 176.467 -0.291 25663 7969 1 16 . 1 1 33 33 TYR CA C 33 62.320 62.320 61.979 0.341 25663 7970 1 16 . 1 1 33 33 TYR CB C 33 38.737 38.737 38.266 0.471 25663 7971 1 16 . 1 1 33 33 TYR H H 33 8.623 8.623 9.059 -0.436 25663 7972 1 16 . 1 1 34 34 LYS N N 34 116.509 116.509 119.428 -2.919 25663 7973 1 16 . 1 1 34 34 LYS HA H 34 3.905 3.905 3.856 0.049 25663 7974 1 16 . 1 1 34 34 LYS C C 34 180.207 180.207 177.864 2.343 25663 7975 1 16 . 1 1 34 34 LYS CA C 34 59.854 59.854 58.889 0.965 25663 7976 1 16 . 1 1 34 34 LYS CB C 34 32.743 32.743 31.980 0.763 25663 7977 1 16 . 1 1 34 34 LYS H H 34 8.284 8.284 8.041 0.243 25663 7978 1 16 . 1 1 35 35 GLN N N 35 119.270 119.270 117.182 2.088 25663 7979 1 16 . 1 1 35 35 GLN HA H 35 3.822 3.822 4.086 -0.264 25663 7980 1 16 . 1 1 35 35 GLN C C 35 179.050 179.050 178.376 0.674 25663 7981 1 16 . 1 1 35 35 GLN CA C 35 58.402 58.402 57.978 0.423 25663 7982 1 16 . 1 1 35 35 GLN CB C 35 26.715 26.715 27.790 -1.075 25663 7983 1 16 . 1 1 35 35 GLN H H 35 7.747 7.747 8.003 -0.256 25663 7984 1 16 . 1 1 36 36 LEU N N 36 122.992 122.992 121.274 1.718 25663 7985 1 16 . 1 1 36 36 LEU HA H 36 3.891 3.891 3.808 0.083 25663 7986 1 16 . 1 1 36 36 LEU C C 36 177.812 177.812 178.203 -0.391 25663 7987 1 16 . 1 1 36 36 LEU CA C 36 58.166 58.166 57.476 0.690 25663 7988 1 16 . 1 1 36 36 LEU CB C 36 41.981 41.981 41.589 0.392 25663 7989 1 16 . 1 1 36 36 LEU H H 36 8.473 8.473 8.549 -0.076 25663 7990 1 16 . 1 1 37 37 GLU N N 37 120.512 120.512 119.474 1.038 25663 7991 1 16 . 1 1 37 37 GLU HA H 37 4.244 4.244 3.804 0.440 25663 7992 1 16 . 1 1 37 37 GLU C C 37 177.984 177.984 178.128 -0.144 25663 7993 1 16 . 1 1 37 37 GLU CA C 37 58.018 58.018 59.152 -1.134 25663 7994 1 16 . 1 1 37 37 GLU CB C 37 28.236 28.236 28.367 -0.131 25663 7995 1 16 . 1 1 37 37 GLU H H 37 8.526 8.526 7.747 0.779 25663 7996 1 16 . 1 1 38 38 ALA N N 38 121.256 121.256 120.156 1.100 25663 7997 1 16 . 1 1 38 38 ALA HA H 38 3.995 3.995 4.297 -0.302 25663 7998 1 16 . 1 1 38 38 ALA C C 38 180.513 180.513 178.304 2.209 25663 7999 1 16 . 1 1 38 38 ALA CA C 38 54.968 54.968 53.740 1.228 25663 8000 1 16 . 1 1 38 38 ALA CB C 38 17.792 17.792 18.339 -0.547 25663 8001 1 16 . 1 1 38 38 ALA H H 38 7.806 7.806 7.475 0.331 25663 8002 1 16 . 1 1 39 39 ALA N N 39 120.185 120.185 121.144 -0.959 25663 8003 1 16 . 1 1 39 39 ALA HA H 39 4.164 4.164 4.274 -0.110 25663 8004 1 16 . 1 1 39 39 ALA C C 39 180.063 180.063 179.971 0.092 25663 8005 1 16 . 1 1 39 39 ALA CA C 39 54.064 54.064 54.019 0.045 25663 8006 1 16 . 1 1 39 39 ALA CB C 39 17.883 17.883 18.669 -0.786 25663 8007 1 16 . 1 1 39 39 ALA H H 39 7.495 7.495 7.724 -0.229 25663 8008 1 16 . 1 1 40 40 ARG N N 40 124.604 124.604 119.004 5.600 25663 8009 1 16 . 1 1 40 40 ARG HA H 40 4.658 4.658 4.201 0.457 25663 8010 1 16 . 1 1 40 40 ARG C C 40 180.610 180.610 178.599 2.011 25663 8011 1 16 . 1 1 40 40 ARG CA C 40 58.559 58.559 58.559 0.000 25663 8012 1 16 . 1 1 40 40 ARG CB C 40 30.707 30.707 29.853 0.854 25663 8013 1 16 . 1 1 40 40 ARG H H 40 8.789 8.789 8.547 0.242 25663 8014 1 16 . 1 1 41 41 LYS N N 41 117.810 117.810 118.920 -1.110 25663 8015 1 16 . 1 1 41 41 LYS HA H 41 3.925 3.925 4.135 -0.210 25663 8016 1 16 . 1 1 41 41 LYS C C 41 178.134 178.134 177.917 0.217 25663 8017 1 16 . 1 1 41 41 LYS CA C 41 59.409 59.409 58.768 0.641 25663 8018 1 16 . 1 1 41 41 LYS CB C 41 32.786 32.786 32.193 0.593 25663 8019 1 16 . 1 1 41 41 LYS H H 41 8.267 8.267 7.586 0.681 25663 8020 1 16 . 1 1 42 42 ILE N N 42 110.889 110.889 117.799 -6.910 25663 8021 1 16 . 1 1 42 42 ILE HA H 42 4.581 4.581 4.247 0.334 25663 8022 1 16 . 1 1 42 42 ILE C C 42 176.527 176.527 176.729 -0.202 25663 8023 1 16 . 1 1 42 42 ILE CA C 42 60.751 60.751 59.765 0.986 25663 8024 1 16 . 1 1 42 42 ILE CB C 42 37.739 37.739 36.002 1.737 25663 8025 1 16 . 1 1 42 42 ILE H H 42 7.263 7.263 7.764 -0.501 25663 8026 1 16 . 1 1 43 43 GLY N N 43 108.366 108.366 108.788 -0.422 25663 8027 1 16 . 1 1 43 43 GLY C C 43 173.880 173.880 174.366 -0.486 25663 8028 1 16 . 1 1 43 43 GLY CA C 43 45.585 45.585 45.784 -0.199 25663 8029 1 16 . 1 1 43 43 GLY H H 43 7.816 7.816 7.775 0.041 25663 8030 1 16 . 1 1 44 44 PHE N N 44 125.650 125.650 119.638 6.012 25663 8031 1 16 . 1 1 44 44 PHE HA H 44 4.510 4.510 4.330 0.180 25663 8032 1 16 . 1 1 44 44 PHE C C 44 171.183 171.183 175.174 -3.991 25663 8033 1 16 . 1 1 44 44 PHE CA C 44 59.012 59.012 59.428 -0.416 25663 8034 1 16 . 1 1 44 44 PHE CB C 44 39.986 39.986 40.060 -0.074 25663 8035 1 16 . 1 1 44 44 PHE H H 44 8.003 8.003 7.487 0.516 25663 8036 1 16 . 1 1 45 45 HIS N N 45 126.999 126.999 126.937 0.062 25663 8037 1 16 . 1 1 45 45 HIS HA H 45 4.728 4.728 4.839 -0.111 25663 8038 1 16 . 1 1 45 45 HIS C C 45 175.134 175.134 173.869 1.265 25663 8039 1 16 . 1 1 45 45 HIS CA C 45 55.539 55.539 55.468 0.071 25663 8040 1 16 . 1 1 45 45 HIS CB C 45 34.586 34.586 31.242 3.344 25663 8041 1 16 . 1 1 45 45 HIS H H 45 7.326 7.326 8.201 -0.875 25663 8042 1 16 . 1 1 46 46 VAL N N 46 126.425 126.425 123.903 2.522 25663 8043 1 16 . 1 1 46 46 VAL HA H 46 3.665 3.665 4.148 -0.483 25663 8044 1 16 . 1 1 46 46 VAL CA C 46 61.647 61.647 61.275 0.372 25663 8045 1 16 . 1 1 46 46 VAL CB C 46 35.141 35.141 33.402 1.739 25663 8046 1 16 . 1 1 46 46 VAL H H 46 8.147 8.147 8.117 0.030 25663 8047 1 16 . 1 1 47 47 CYS N N 47 127.308 127.308 128.363 -1.055 25663 8048 1 16 . 1 1 47 47 CYS HA H 47 4.470 4.470 4.751 -0.281 25663 8049 1 16 . 1 1 47 47 CYS C C 47 172.533 172.533 174.480 -1.947 25663 8050 1 16 . 1 1 47 47 CYS CA C 47 55.259 55.259 58.304 -3.045 25663 8051 1 16 . 1 1 47 47 CYS CB C 47 44.867 44.867 24.571 20.296 25663 8052 1 16 . 1 1 47 47 CYS H H 47 8.675 8.675 8.691 -0.016 25663 8053 1 16 . 1 1 48 48 ALA N N 48 120.376 120.376 128.726 -8.350 25663 8054 1 16 . 1 1 48 48 ALA HA H 48 4.278 4.278 4.882 -0.604 25663 8055 1 16 . 1 1 48 48 ALA C C 48 173.936 173.936 176.213 -2.277 25663 8056 1 16 . 1 1 48 48 ALA CA C 48 51.286 51.286 51.551 -0.265 25663 8057 1 16 . 1 1 48 48 ALA CB C 48 19.831 19.831 21.848 -2.017 25663 8058 1 16 . 1 1 48 48 ALA H H 48 6.500 6.500 7.658 -1.158 25663 8059 1 16 . 1 1 49 49 ALA N N 49 130.715 130.715 127.340 3.375 25663 8060 1 16 . 1 1 49 49 ALA HA H 49 3.834 3.834 4.418 -0.584 25663 8061 1 16 . 1 1 49 49 ALA C C 49 176.061 176.061 176.246 -0.185 25663 8062 1 16 . 1 1 49 49 ALA CA C 49 53.466 53.466 51.198 2.268 25663 8063 1 16 . 1 1 49 49 ALA CB C 49 18.332 18.332 19.807 -1.475 25663 8064 1 16 . 1 1 49 49 ALA H H 49 8.424 8.424 9.130 -0.706 25663 8065 1 16 . 1 1 50 50 GLY N N 50 107.085 107.085 109.146 -2.061 25663 8066 1 16 . 1 1 50 50 GLY C C 50 170.793 170.793 171.948 -1.155 25663 8067 1 16 . 1 1 50 50 GLY CA C 50 43.792 43.792 44.304 -0.512 25663 8068 1 16 . 1 1 50 50 GLY H H 50 8.746 8.746 7.902 0.844 25663 8069 1 16 . 1 1 51 51 TRP N N 51 121.565 121.565 121.580 -0.015 25663 8070 1 16 . 1 1 51 51 TRP HA H 51 4.960 4.960 4.932 0.028 25663 8071 1 16 . 1 1 51 51 TRP C C 51 174.095 174.095 175.259 -1.164 25663 8072 1 16 . 1 1 51 51 TRP CA C 51 58.852 58.852 55.365 3.487 25663 8073 1 16 . 1 1 51 51 TRP CB C 51 32.034 32.034 31.476 0.558 25663 8074 1 16 . 1 1 51 51 TRP H H 51 8.596 8.596 8.094 0.502 25663 8075 1 16 . 1 1 52 52 MET N N 52 118.713 118.713 123.221 -4.508 25663 8076 1 16 . 1 1 52 52 MET HA H 52 4.945 4.945 5.230 -0.285 25663 8077 1 16 . 1 1 52 52 MET C C 52 174.575 174.575 176.597 -2.022 25663 8078 1 16 . 1 1 52 52 MET CA C 52 54.277 54.277 53.204 1.073 25663 8079 1 16 . 1 1 52 52 MET CB C 52 39.146 39.146 33.942 5.204 25663 8080 1 16 . 1 1 52 52 MET H H 52 9.116 9.116 8.524 0.592 25663 8081 1 16 . 1 1 53 53 ALA N N 53 120.116 120.116 122.620 -2.504 25663 8082 1 16 . 1 1 53 53 ALA HA H 53 4.186 4.186 4.271 -0.085 25663 8083 1 16 . 1 1 53 53 ALA C C 53 178.250 178.250 178.134 0.116 25663 8084 1 16 . 1 1 53 53 ALA CA C 53 53.791 53.791 53.464 0.327 25663 8085 1 16 . 1 1 53 53 ALA CB C 53 19.462 19.462 19.398 0.064 25663 8086 1 16 . 1 1 53 53 ALA H H 53 8.517 8.517 8.432 0.085 25663 8087 1 16 . 1 1 54 54 LYS N N 54 112.641 112.641 117.363 -4.722 25663 8088 1 16 . 1 1 54 54 LYS HA H 54 3.857 3.857 3.986 -0.129 25663 8089 1 16 . 1 1 54 54 LYS C C 54 175.913 175.913 176.050 -0.137 25663 8090 1 16 . 1 1 54 54 LYS CA C 54 57.608 57.608 56.831 0.777 25663 8091 1 16 . 1 1 54 54 LYS CB C 54 29.796 29.796 30.038 -0.242 25663 8092 1 16 . 1 1 54 54 LYS H H 54 8.866 8.866 9.106 -0.240 25663 8093 1 16 . 1 1 55 55 GLY N N 55 104.227 104.227 103.208 1.019 25663 8094 1 16 . 1 1 55 55 GLY C C 55 173.820 173.820 174.752 -0.932 25663 8095 1 16 . 1 1 55 55 GLY CA C 55 45.933 45.933 45.629 0.304 25663 8096 1 16 . 1 1 55 55 GLY H H 55 8.239 8.239 8.267 -0.028 25663 8097 1 16 . 1 1 56 56 ARG N N 56 122.045 122.045 118.228 3.817 25663 8098 1 16 . 1 1 56 56 ARG HA H 56 4.771 4.771 4.476 0.295 25663 8099 1 16 . 1 1 56 56 ARG C C 56 173.828 173.828 174.415 -0.587 25663 8100 1 16 . 1 1 56 56 ARG CA C 56 55.010 55.010 56.142 -1.132 25663 8101 1 16 . 1 1 56 56 ARG CB C 56 31.939 31.939 32.355 -0.416 25663 8102 1 16 . 1 1 56 56 ARG H H 56 6.825 6.825 7.751 -0.926 25663 8103 1 16 . 1 1 57 57 VAL N N 57 122.581 122.581 119.197 3.384 25663 8104 1 16 . 1 1 57 57 VAL HA H 57 4.632 4.632 4.427 0.205 25663 8105 1 16 . 1 1 57 57 VAL C C 57 173.775 173.775 173.466 0.309 25663 8106 1 16 . 1 1 57 57 VAL CA C 57 59.946 59.946 60.461 -0.515 25663 8107 1 16 . 1 1 57 57 VAL CB C 57 35.191 35.191 34.857 0.334 25663 8108 1 16 . 1 1 57 57 VAL H H 57 7.084 7.084 8.450 -1.366 25663 8109 1 16 . 1 1 58 58 GLY N N 58 112.994 112.994 113.405 -0.411 25663 8110 1 16 . 1 1 58 58 GLY C C 58 171.431 171.431 172.717 -1.286 25663 8111 1 16 . 1 1 58 58 GLY CA C 58 46.285 46.285 44.604 1.681 25663 8112 1 16 . 1 1 58 58 GLY H H 58 8.112 8.112 7.979 0.133 25663 8113 1 16 . 1 1 59 59 TYR N N 59 111.540 111.540 116.114 -4.574 25663 8114 1 16 . 1 1 59 59 TYR HA H 59 4.337 4.337 4.930 -0.593 25663 8115 1 16 . 1 1 59 59 TYR CA C 59 55.972 55.972 54.836 1.136 25663 8116 1 16 . 1 1 59 59 TYR CB C 59 34.363 34.363 38.210 -3.847 25663 8117 1 16 . 1 1 59 59 TYR H H 59 7.796 7.796 7.609 0.186 25663 8118 1 16 . 1 1 60 60 PRO HA H 60 4.497 4.497 4.571 -0.074 25663 8119 1 16 . 1 1 60 60 PRO CA C 60 62.231 62.231 63.182 -0.951 25663 8120 1 16 . 1 1 60 60 PRO CB C 60 33.314 33.314 32.372 0.942 25663 8121 1 16 . 1 1 61 61 ILE HA H 61 4.444 4.444 4.540 -0.096 25663 8122 1 16 . 1 1 61 61 ILE CA C 61 56.601 56.601 60.804 -4.203 25663 8123 1 16 . 1 1 61 61 ILE CB C 61 38.417 38.417 38.886 -0.469 25663 8124 1 16 . 1 1 62 62 VAL HA H 62 3.935 3.935 3.952 -0.017 25663 8125 1 16 . 1 1 62 62 VAL CA C 62 64.377 64.377 63.739 0.638 25663 8126 1 16 . 1 1 62 62 VAL CB C 62 34.087 34.087 32.019 2.068 25663 8127 1 16 . 1 1 62 62 VAL H H 62 11.229 11.229 8.181 3.048 25663 8128 1 16 . 1 1 63 63 LYS N N 63 122.578 122.578 119.329 3.249 25663 8129 1 16 . 1 1 63 63 LYS HA H 63 4.753 4.753 4.601 0.152 25663 8130 1 16 . 1 1 63 63 LYS CA C 63 52.473 52.473 53.363 -0.890 25663 8131 1 16 . 1 1 63 63 LYS CB C 63 32.983 32.983 33.421 -0.438 25663 8132 1 16 . 1 1 63 63 LYS H H 63 7.501 7.501 7.716 -0.215 25663 8133 1 16 . 1 1 64 64 PRO HA H 64 4.362 4.362 4.321 0.041 25663 8134 1 16 . 1 1 64 64 PRO CA C 64 63.124 63.124 63.145 -0.021 25663 8135 1 16 . 1 1 64 64 PRO CB C 64 32.121 32.121 32.184 -0.063 25663 8136 1 16 . 1 1 65 65 GLY CA C 65 45.512 45.512 43.097 2.415 25663 8137 1 16 . 1 1 65 65 GLY H H 65 8.377 8.377 8.119 0.258 25663 8138 1 16 . 1 1 66 66 PRO HA H 66 4.010 4.010 4.323 -0.313 25663 8139 1 16 . 1 1 66 66 PRO C C 66 177.072 177.072 177.598 -0.526 25663 8140 1 16 . 1 1 66 66 PRO CA C 66 64.765 64.765 64.597 0.168 25663 8141 1 16 . 1 1 66 66 PRO CB C 66 32.121 32.121 32.255 -0.134 25663 8142 1 16 . 1 1 67 67 ASN N N 67 114.419 114.419 117.879 -3.460 25663 8143 1 16 . 1 1 67 67 ASN HA H 67 4.995 4.995 4.577 0.418 25663 8144 1 16 . 1 1 67 67 ASN C C 67 173.872 173.872 175.140 -1.268 25663 8145 1 16 . 1 1 67 67 ASN CA C 67 52.349 52.349 53.630 -1.281 25663 8146 1 16 . 1 1 67 67 ASN CB C 67 38.955 38.955 37.782 1.173 25663 8147 1 16 . 1 1 67 67 ASN H H 67 8.330 8.330 8.527 -0.197 25663 8148 1 16 . 1 1 68 68 CYS N N 68 118.995 118.995 114.778 4.217 25663 8149 1 16 . 1 1 68 68 CYS HA H 68 5.034 5.034 4.699 0.335 25663 8150 1 16 . 1 1 68 68 CYS CA C 68 54.247 54.247 58.421 -4.174 25663 8151 1 16 . 1 1 68 68 CYS CB C 68 44.260 44.260 28.200 16.060 25663 8152 1 16 . 1 1 68 68 CYS H H 68 7.327 7.327 7.679 -0.352 25663 8153 1 16 . 1 1 70 70 PHE HA H 70 4.305 4.305 4.480 -0.175 25663 8154 1 16 . 1 1 70 70 PHE CA C 70 58.889 58.889 57.863 1.026 25663 8155 1 16 . 1 1 70 70 PHE CB C 70 36.557 36.557 40.473 -3.916 25663 8156 1 16 . 1 1 71 71 GLY N N 71 105.368 105.368 110.753 -5.385 25663 8157 1 16 . 1 1 71 71 GLY CA C 71 46.043 46.043 45.451 0.592 25663 8158 1 16 . 1 1 71 71 GLY H H 71 7.339 7.339 7.674 -0.335 25663 8159 1 16 . 1 1 72 72 LYS N N 72 120.404 120.404 121.162 -0.758 25663 8160 1 16 . 1 1 72 72 LYS HA H 72 4.264 4.264 4.468 -0.204 25663 8161 1 16 . 1 1 72 72 LYS C C 72 175.440 175.440 175.847 -0.407 25663 8162 1 16 . 1 1 72 72 LYS CA C 72 56.413 56.413 56.667 -0.254 25663 8163 1 16 . 1 1 72 72 LYS CB C 72 33.686 33.686 33.453 0.233 25663 8164 1 16 . 1 1 72 72 LYS H H 72 6.946 6.946 8.283 -1.337 25663 8165 1 16 . 1 1 73 73 THR N N 73 110.334 110.334 109.865 0.469 25663 8166 1 16 . 1 1 73 73 THR HA H 73 4.233 4.233 4.731 -0.498 25663 8167 1 16 . 1 1 73 73 THR C C 73 173.774 173.774 174.200 -0.426 25663 8168 1 16 . 1 1 73 73 THR CA C 73 60.879 60.879 60.235 0.644 25663 8169 1 16 . 1 1 73 73 THR CB C 73 70.841 70.841 71.799 -0.958 25663 8170 1 16 . 1 1 73 73 THR H H 73 7.911 7.911 7.967 -0.056 25663 8171 1 16 . 1 1 74 74 GLY N N 74 109.589 109.589 110.971 -1.382 25663 8172 1 16 . 1 1 74 74 GLY C C 74 172.715 172.715 172.930 -0.215 25663 8173 1 16 . 1 1 74 74 GLY CA C 74 43.404 43.404 44.606 -1.202 25663 8174 1 16 . 1 1 74 74 GLY H H 74 7.904 7.904 8.042 -0.138 25663 8175 1 16 . 1 1 75 75 ILE N N 75 120.787 120.787 124.435 -3.648 25663 8176 1 16 . 1 1 75 75 ILE HA H 75 4.221 4.221 4.249 -0.028 25663 8177 1 16 . 1 1 75 75 ILE C C 75 176.249 176.249 175.547 0.702 25663 8178 1 16 . 1 1 75 75 ILE CA C 75 59.422 59.422 60.875 -1.453 25663 8179 1 16 . 1 1 75 75 ILE CB C 75 36.008 36.008 38.330 -2.322 25663 8180 1 16 . 1 1 75 75 ILE H H 75 8.265 8.265 8.303 -0.038 25663 8181 1 16 . 1 1 76 76 ILE N N 76 134.542 134.542 129.546 4.996 25663 8182 1 16 . 1 1 76 76 ILE HA H 76 3.587 3.587 3.959 -0.372 25663 8183 1 16 . 1 1 76 76 ILE C C 76 173.769 173.769 174.101 -0.332 25663 8184 1 16 . 1 1 76 76 ILE CA C 76 59.599 59.599 58.782 0.817 25663 8185 1 16 . 1 1 76 76 ILE CB C 76 33.139 33.139 35.827 -2.688 25663 8186 1 16 . 1 1 76 76 ILE H H 76 8.660 8.660 8.523 0.137 25663 8187 1 16 . 1 1 77 77 ASP N N 77 126.213 126.213 127.003 -0.790 25663 8188 1 16 . 1 1 77 77 ASP HA H 77 4.790 4.790 4.555 0.235 25663 8189 1 16 . 1 1 77 77 ASP C C 77 176.390 176.390 174.533 1.857 25663 8190 1 16 . 1 1 77 77 ASP CA C 77 52.927 52.927 52.631 0.296 25663 8191 1 16 . 1 1 77 77 ASP CB C 77 44.224 44.224 42.717 1.507 25663 8192 1 16 . 1 1 77 77 ASP H H 77 7.925 7.925 7.897 0.028 25663 8193 1 16 . 1 1 78 78 TYR N N 78 126.424 126.424 122.070 4.354 25663 8194 1 16 . 1 1 78 78 TYR HA H 78 4.780 4.780 4.588 0.192 25663 8195 1 16 . 1 1 78 78 TYR C C 78 177.025 177.025 176.091 0.934 25663 8196 1 16 . 1 1 78 78 TYR CA C 78 54.257 54.257 57.196 -2.938 25663 8197 1 16 . 1 1 78 78 TYR CB C 78 36.513 36.513 42.288 -5.775 25663 8198 1 16 . 1 1 78 78 TYR H H 78 9.313 9.313 8.062 1.251 25663 8199 1 16 . 1 1 79 79 GLY N N 79 110.776 110.776 110.414 0.362 25663 8200 1 16 . 1 1 79 79 GLY C C 79 172.389 172.389 174.032 -1.643 25663 8201 1 16 . 1 1 79 79 GLY CA C 79 44.317 44.317 45.713 -1.396 25663 8202 1 16 . 1 1 79 79 GLY H H 79 8.880 8.880 8.639 0.241 25663 8203 1 16 . 1 1 80 80 ILE N N 80 117.437 117.437 120.242 -2.805 25663 8204 1 16 . 1 1 80 80 ILE HA H 80 3.897 3.897 4.241 -0.344 25663 8205 1 16 . 1 1 80 80 ILE C C 80 177.495 177.495 175.054 2.441 25663 8206 1 16 . 1 1 80 80 ILE CA C 80 61.293 61.293 60.836 0.457 25663 8207 1 16 . 1 1 80 80 ILE CB C 80 36.412 36.412 39.555 -3.143 25663 8208 1 16 . 1 1 80 80 ILE H H 80 8.189 8.189 7.652 0.537 25663 8209 1 16 . 1 1 81 81 ARG N N 81 128.585 128.585 127.590 0.995 25663 8210 1 16 . 1 1 81 81 ARG HA H 81 4.367 4.367 4.346 0.021 25663 8211 1 16 . 1 1 81 81 ARG CA C 81 52.745 52.745 56.047 -3.302 25663 8212 1 16 . 1 1 81 81 ARG CB C 81 27.133 27.133 31.090 -3.957 25663 8213 1 16 . 1 1 81 81 ARG H H 81 8.367 8.367 8.766 -0.399 25663 8214 1 16 . 1 1 82 82 LEU HA H 82 4.145 4.145 4.286 -0.141 25663 8215 1 16 . 1 1 82 82 LEU C C 82 177.546 177.546 177.430 0.116 25663 8216 1 16 . 1 1 82 82 LEU CA C 82 56.857 56.857 55.881 0.976 25663 8217 1 16 . 1 1 82 82 LEU CB C 82 42.266 42.266 41.854 0.412 25663 8218 1 16 . 1 1 82 82 LEU H H 82 8.226 8.226 8.577 -0.351 25663 8219 1 16 . 1 1 83 83 ASN N N 83 115.779 115.779 116.866 -1.087 25663 8220 1 16 . 1 1 83 83 ASN HA H 83 4.913 4.913 4.741 0.172 25663 8221 1 16 . 1 1 83 83 ASN C C 83 175.764 175.764 176.236 -0.472 25663 8222 1 16 . 1 1 83 83 ASN CA C 83 51.627 51.627 52.611 -0.984 25663 8223 1 16 . 1 1 83 83 ASN CB C 83 37.505 37.505 36.950 0.555 25663 8224 1 16 . 1 1 83 83 ASN H H 83 8.628 8.628 8.583 0.045 25663 8225 1 16 . 1 1 84 84 ARG N N 84 121.554 121.554 120.003 1.551 25663 8226 1 16 . 1 1 84 84 ARG HA H 84 4.637 4.637 4.207 0.430 25663 8227 1 16 . 1 1 84 84 ARG C C 84 177.197 177.197 176.486 0.711 25663 8228 1 16 . 1 1 84 84 ARG CA C 84 56.695 56.695 58.673 -1.978 25663 8229 1 16 . 1 1 84 84 ARG CB C 84 29.361 29.361 29.480 -0.119 25663 8230 1 16 . 1 1 84 84 ARG H H 84 8.593 8.593 7.970 0.623 25663 8231 1 16 . 1 1 85 85 SER N N 85 116.623 116.623 112.232 4.391 25663 8232 1 16 . 1 1 85 85 SER HA H 85 4.628 4.628 4.528 0.100 25663 8233 1 16 . 1 1 85 85 SER C C 85 174.403 174.403 174.754 -0.351 25663 8234 1 16 . 1 1 85 85 SER CA C 85 58.827 58.827 59.333 -0.506 25663 8235 1 16 . 1 1 85 85 SER CB C 85 62.996 62.996 63.597 -0.601 25663 8236 1 16 . 1 1 85 85 SER H H 85 8.567 8.567 8.128 0.439 25663 8237 1 16 . 1 1 86 86 GLU N N 86 121.171 121.171 121.200 -0.029 25663 8238 1 16 . 1 1 86 86 GLU HA H 86 3.864 3.864 4.450 -0.586 25663 8239 1 16 . 1 1 86 86 GLU C C 86 174.422 174.422 175.197 -0.775 25663 8240 1 16 . 1 1 86 86 GLU CA C 86 57.520 57.520 55.876 1.645 25663 8241 1 16 . 1 1 86 86 GLU CB C 86 31.292 31.292 31.250 0.042 25663 8242 1 16 . 1 1 86 86 GLU H H 86 7.219 7.219 8.416 -1.197 25663 8243 1 16 . 1 1 87 87 ARG N N 87 118.124 118.124 118.233 -0.109 25663 8244 1 16 . 1 1 87 87 ARG HA H 87 4.687 4.687 4.768 -0.081 25663 8245 1 16 . 1 1 87 87 ARG C C 87 173.408 173.408 174.734 -1.326 25663 8246 1 16 . 1 1 87 87 ARG CA C 87 54.387 54.387 55.597 -1.210 25663 8247 1 16 . 1 1 87 87 ARG CB C 87 31.544 31.544 33.962 -2.418 25663 8248 1 16 . 1 1 87 87 ARG H H 87 7.263 7.263 8.167 -0.904 25663 8249 1 16 . 1 1 88 88 TRP N N 88 121.383 121.383 120.336 1.047 25663 8250 1 16 . 1 1 88 88 TRP HA H 88 4.899 4.899 4.543 0.356 25663 8251 1 16 . 1 1 88 88 TRP CA C 88 54.508 54.508 57.054 -2.546 25663 8252 1 16 . 1 1 88 88 TRP CB C 88 33.610 33.610 31.287 2.323 25663 8253 1 16 . 1 1 88 88 TRP H H 88 8.811 8.811 9.308 -0.497 25663 8254 1 16 . 1 1 89 89 ASP N N 89 119.285 119.285 120.524 -1.239 25663 8255 1 16 . 1 1 89 89 ASP HA H 89 5.602 5.602 4.397 1.205 25663 8256 1 16 . 1 1 89 89 ASP C C 89 173.648 173.648 174.330 -0.682 25663 8257 1 16 . 1 1 89 89 ASP CA C 89 54.558 54.558 53.504 1.054 25663 8258 1 16 . 1 1 89 89 ASP CB C 89 40.438 40.438 41.682 -1.244 25663 8259 1 16 . 1 1 89 89 ASP H H 89 8.552 8.552 7.986 0.566 25663 8260 1 16 . 1 1 90 90 ALA N N 90 121.014 121.014 117.906 3.108 25663 8261 1 16 . 1 1 90 90 ALA HA H 90 5.095 5.095 4.160 0.935 25663 8262 1 16 . 1 1 90 90 ALA C C 90 175.076 175.076 174.477 0.599 25663 8263 1 16 . 1 1 90 90 ALA CA C 90 52.089 52.089 51.408 0.681 25663 8264 1 16 . 1 1 90 90 ALA CB C 90 23.118 23.118 21.032 2.086 25663 8265 1 16 . 1 1 90 90 ALA H H 90 8.449 8.449 7.594 0.855 25663 8266 1 16 . 1 1 91 91 TYR N N 91 118.243 118.243 118.688 -0.445 25663 8267 1 16 . 1 1 91 91 TYR HA H 91 5.072 5.072 4.831 0.241 25663 8268 1 16 . 1 1 91 91 TYR C C 91 174.671 174.671 174.984 -0.313 25663 8269 1 16 . 1 1 91 91 TYR CA C 91 58.787 58.787 56.811 1.976 25663 8270 1 16 . 1 1 91 91 TYR CB C 91 40.686 40.686 40.459 0.227 25663 8271 1 16 . 1 1 91 91 TYR H H 91 8.421 8.421 8.335 0.086 25663 8272 1 16 . 1 1 92 92 CYS N N 92 119.931 119.931 120.304 -0.373 25663 8273 1 16 . 1 1 92 92 CYS HA H 92 5.263 5.263 5.149 0.114 25663 8274 1 16 . 1 1 92 92 CYS C C 92 172.698 172.698 172.979 -0.281 25663 8275 1 16 . 1 1 92 92 CYS CA C 92 50.601 50.601 57.169 -6.568 25663 8276 1 16 . 1 1 92 92 CYS CB C 92 37.818 37.818 30.948 6.870 25663 8277 1 16 . 1 1 92 92 CYS H H 92 8.459 8.459 9.063 -0.604 25663 8278 1 16 . 1 1 93 93 TYR N N 93 120.805 120.805 119.583 1.222 25663 8279 1 16 . 1 1 93 93 TYR HA H 93 4.903 4.903 4.673 0.230 25663 8280 1 16 . 1 1 93 93 TYR C C 93 173.902 173.902 172.798 1.104 25663 8281 1 16 . 1 1 93 93 TYR CA C 93 57.096 57.096 57.902 -0.806 25663 8282 1 16 . 1 1 93 93 TYR CB C 93 41.665 41.665 41.682 -0.017 25663 8283 1 16 . 1 1 93 93 TYR H H 93 9.410 9.410 8.241 1.169 25663 8284 1 16 . 1 1 94 94 ASN N N 94 124.511 124.511 122.143 2.368 25663 8285 1 16 . 1 1 94 94 ASN HA H 94 4.774 4.774 4.868 -0.094 25663 8286 1 16 . 1 1 94 94 ASN CA C 94 49.599 49.599 51.223 -1.624 25663 8287 1 16 . 1 1 94 94 ASN CB C 94 41.642 41.642 39.620 2.022 25663 8288 1 16 . 1 1 94 94 ASN H H 94 7.832 7.832 7.515 0.317 25663 8289 1 16 . 1 1 95 95 PRO HA H 95 4.141 4.141 4.032 0.109 25663 8290 1 16 . 1 1 95 95 PRO C C 95 176.345 176.345 176.591 -0.246 25663 8291 1 16 . 1 1 95 95 PRO CA C 95 63.800 63.800 62.997 0.803 25663 8292 1 16 . 1 1 95 95 PRO CB C 95 32.046 32.046 32.148 -0.102 25663 8293 1 16 . 1 1 96 96 HIS N N 96 116.009 116.009 120.666 -4.657 25663 8294 1 16 . 1 1 96 96 HIS HA H 96 4.623 4.623 4.157 0.466 25663 8295 1 16 . 1 1 96 96 HIS C C 96 173.999 173.999 174.772 -0.773 25663 8296 1 16 . 1 1 96 96 HIS CA C 96 55.046 55.046 57.972 -2.926 25663 8297 1 16 . 1 1 96 96 HIS CB C 96 28.821 28.821 28.006 0.815 25663 8298 1 16 . 1 1 96 96 HIS H H 96 8.354 8.354 8.563 -0.209 25663 8299 1 16 . 1 1 97 97 ALA N N 97 123.775 123.775 126.728 -2.953 25663 8300 1 16 . 1 1 97 97 ALA HA H 97 4.269 4.269 4.402 -0.133 25663 8301 1 16 . 1 1 97 97 ALA C C 97 176.350 176.350 176.207 0.143 25663 8302 1 16 . 1 1 97 97 ALA CA C 97 51.796 51.796 52.577 -0.781 25663 8303 1 16 . 1 1 97 97 ALA CB C 97 19.648 19.648 20.853 -1.205 25663 8304 1 16 . 1 1 97 97 ALA H H 97 7.387 7.387 8.602 -1.215 25663 8305 1 17 . 1 1 2 2 VAL N N 2 122.742 122.742 123.921 -1.179 25663 8306 1 17 . 1 1 2 2 VAL HA H 2 5.257 5.257 5.028 0.229 25663 8307 1 17 . 1 1 2 2 VAL C C 2 174.533 174.533 174.947 -0.414 25663 8308 1 17 . 1 1 2 2 VAL CA C 2 60.536 60.536 61.952 -1.416 25663 8309 1 17 . 1 1 2 2 VAL CB C 2 33.278 33.278 33.002 0.276 25663 8310 1 17 . 1 1 2 2 VAL H H 2 8.486 8.486 8.087 0.399 25663 8311 1 17 . 1 1 3 3 TYR N N 3 120.172 120.172 124.235 -4.063 25663 8312 1 17 . 1 1 3 3 TYR HA H 3 4.964 4.964 4.882 0.082 25663 8313 1 17 . 1 1 3 3 TYR C C 3 173.399 173.399 173.729 -0.330 25663 8314 1 17 . 1 1 3 3 TYR CA C 3 56.073 56.073 55.570 0.503 25663 8315 1 17 . 1 1 3 3 TYR CB C 3 40.278 40.278 40.014 0.264 25663 8316 1 17 . 1 1 3 3 TYR H H 3 8.715 8.715 7.981 0.734 25663 8317 1 17 . 1 1 4 4 HIS N N 4 121.237 121.237 120.751 0.486 25663 8318 1 17 . 1 1 4 4 HIS HA H 4 4.929 4.929 4.936 -0.007 25663 8319 1 17 . 1 1 4 4 HIS C C 4 172.844 172.844 175.635 -2.791 25663 8320 1 17 . 1 1 4 4 HIS CA C 4 54.154 54.154 56.189 -2.035 25663 8321 1 17 . 1 1 4 4 HIS CB C 4 30.961 30.961 30.279 0.682 25663 8322 1 17 . 1 1 4 4 HIS H H 4 9.414 9.414 8.343 1.071 25663 8323 1 17 . 1 1 5 5 ARG N N 5 128.770 128.770 124.955 3.815 25663 8324 1 17 . 1 1 5 5 ARG HA H 5 4.619 4.619 4.654 -0.035 25663 8325 1 17 . 1 1 5 5 ARG C C 5 172.967 172.967 175.502 -2.535 25663 8326 1 17 . 1 1 5 5 ARG CA C 5 53.177 53.177 55.345 -2.168 25663 8327 1 17 . 1 1 5 5 ARG CB C 5 33.832 33.832 32.087 1.745 25663 8328 1 17 . 1 1 5 5 ARG H H 5 8.805 8.805 8.570 0.235 25663 8329 1 17 . 1 1 6 6 GLU N N 6 121.037 121.037 122.843 -1.806 25663 8330 1 17 . 1 1 6 6 GLU HA H 6 4.490 4.490 4.598 -0.108 25663 8331 1 17 . 1 1 6 6 GLU C C 6 176.264 176.264 175.618 0.646 25663 8332 1 17 . 1 1 6 6 GLU CA C 6 53.336 53.336 56.211 -2.875 25663 8333 1 17 . 1 1 6 6 GLU CB C 6 33.133 33.133 31.137 1.996 25663 8334 1 17 . 1 1 6 6 GLU H H 6 8.232 8.232 8.545 -0.313 25663 8335 1 17 . 1 1 7 7 ALA N N 7 123.438 123.438 127.807 -4.369 25663 8336 1 17 . 1 1 7 7 ALA HA H 7 4.215 4.215 4.420 -0.205 25663 8337 1 17 . 1 1 7 7 ALA C C 7 178.419 178.419 177.557 0.862 25663 8338 1 17 . 1 1 7 7 ALA CA C 7 52.182 52.182 52.357 -0.175 25663 8339 1 17 . 1 1 7 7 ALA CB C 7 20.128 20.128 19.798 0.330 25663 8340 1 17 . 1 1 7 7 ALA H H 7 8.756 8.756 8.444 0.312 25663 8341 1 17 . 1 1 8 8 ARG N N 8 122.559 122.559 118.707 3.852 25663 8342 1 17 . 1 1 8 8 ARG HA H 8 3.998 3.998 4.070 -0.072 25663 8343 1 17 . 1 1 8 8 ARG C C 8 177.448 177.448 177.080 0.368 25663 8344 1 17 . 1 1 8 8 ARG CA C 8 58.660 58.660 58.373 0.286 25663 8345 1 17 . 1 1 8 8 ARG CB C 8 29.406 29.406 30.307 -0.901 25663 8346 1 17 . 1 1 8 8 ARG H H 8 8.945 8.945 8.570 0.375 25663 8347 1 17 . 1 1 9 9 SER N N 9 107.309 107.309 112.722 -5.413 25663 8348 1 17 . 1 1 9 9 SER HA H 9 4.261 4.261 4.394 -0.133 25663 8349 1 17 . 1 1 9 9 SER C C 9 174.411 174.411 174.032 0.379 25663 8350 1 17 . 1 1 9 9 SER CA C 9 58.081 58.081 58.203 -0.122 25663 8351 1 17 . 1 1 9 9 SER CB C 9 62.972 62.972 63.816 -0.843 25663 8352 1 17 . 1 1 9 9 SER H H 9 7.445 7.445 7.881 -0.436 25663 8353 1 17 . 1 1 10 10 GLY N N 10 109.574 109.574 109.703 -0.129 25663 8354 1 17 . 1 1 10 10 GLY C C 10 171.580 171.580 174.099 -2.519 25663 8355 1 17 . 1 1 10 10 GLY CA C 10 44.036 44.036 45.815 -1.779 25663 8356 1 17 . 1 1 10 10 GLY H H 10 7.379 7.379 7.928 -0.549 25663 8357 1 17 . 1 1 11 11 LYS N N 11 121.683 121.683 121.693 -0.010 25663 8358 1 17 . 1 1 11 11 LYS HA H 11 3.993 3.993 3.904 0.089 25663 8359 1 17 . 1 1 11 11 LYS C C 11 175.995 175.995 175.172 0.823 25663 8360 1 17 . 1 1 11 11 LYS CA C 11 57.374 57.374 54.464 2.910 25663 8361 1 17 . 1 1 11 11 LYS CB C 11 34.009 34.009 32.567 1.442 25663 8362 1 17 . 1 1 11 11 LYS H H 11 8.040 8.040 7.749 0.291 25663 8363 1 17 . 1 1 12 12 TYR N N 12 122.956 122.956 114.382 8.574 25663 8364 1 17 . 1 1 12 12 TYR HA H 12 3.990 3.990 4.148 -0.158 25663 8365 1 17 . 1 1 12 12 TYR C C 12 173.905 173.905 176.725 -2.820 25663 8366 1 17 . 1 1 12 12 TYR CA C 12 54.397 54.397 58.337 -3.940 25663 8367 1 17 . 1 1 12 12 TYR CB C 12 32.105 32.105 35.641 -3.536 25663 8368 1 17 . 1 1 12 12 TYR H H 12 9.830 9.830 8.156 1.674 25663 8369 1 17 . 1 1 13 13 LYS N N 13 114.683 114.683 118.597 -3.914 25663 8370 1 17 . 1 1 13 13 LYS HA H 13 4.577 4.577 4.314 0.263 25663 8371 1 17 . 1 1 13 13 LYS C C 13 176.999 176.999 175.052 1.947 25663 8372 1 17 . 1 1 13 13 LYS CA C 13 55.014 55.014 56.207 -1.193 25663 8373 1 17 . 1 1 13 13 LYS CB C 13 35.021 35.021 31.335 3.686 25663 8374 1 17 . 1 1 13 13 LYS H H 13 8.445 8.445 8.216 0.229 25663 8375 1 17 . 1 1 14 14 LEU N N 14 123.176 123.176 123.102 0.074 25663 8376 1 17 . 1 1 14 14 LEU HA H 14 5.122 5.122 5.134 -0.012 25663 8377 1 17 . 1 1 14 14 LEU C C 14 178.304 178.304 175.824 2.480 25663 8378 1 17 . 1 1 14 14 LEU CA C 14 54.800 54.800 53.344 1.456 25663 8379 1 17 . 1 1 14 14 LEU CB C 14 43.528 43.528 45.811 -2.283 25663 8380 1 17 . 1 1 14 14 LEU H H 14 9.479 9.479 7.438 2.041 25663 8381 1 17 . 1 1 15 15 THR N N 15 116.144 116.144 118.412 -2.268 25663 8382 1 17 . 1 1 15 15 THR HA H 15 5.485 5.485 4.613 0.872 25663 8383 1 17 . 1 1 15 15 THR C C 15 174.697 174.697 175.098 -0.401 25663 8384 1 17 . 1 1 15 15 THR CA C 15 61.722 61.722 59.658 2.064 25663 8385 1 17 . 1 1 15 15 THR CB C 15 70.914 70.914 71.189 -0.275 25663 8386 1 17 . 1 1 15 15 THR H H 15 8.792 8.792 8.437 0.355 25663 8387 1 17 . 1 1 16 16 TYR N N 16 120.594 120.594 123.756 -3.162 25663 8388 1 17 . 1 1 16 16 TYR HA H 16 2.375 2.375 3.985 -1.610 25663 8389 1 17 . 1 1 16 16 TYR C C 16 176.133 176.133 176.852 -0.719 25663 8390 1 17 . 1 1 16 16 TYR CA C 16 61.408 61.408 62.416 -1.008 25663 8391 1 17 . 1 1 16 16 TYR CB C 16 36.889 36.889 37.909 -1.020 25663 8392 1 17 . 1 1 16 16 TYR H H 16 7.402 7.402 8.636 -1.234 25663 8393 1 17 . 1 1 17 17 ALA N N 17 118.108 118.108 120.160 -2.052 25663 8394 1 17 . 1 1 17 17 ALA HA H 17 3.509 3.509 3.581 -0.072 25663 8395 1 17 . 1 1 17 17 ALA C C 17 181.575 181.575 179.642 1.933 25663 8396 1 17 . 1 1 17 17 ALA CA C 17 54.732 54.732 54.674 0.058 25663 8397 1 17 . 1 1 17 17 ALA CB C 17 18.124 18.124 18.081 0.043 25663 8398 1 17 . 1 1 17 17 ALA H H 17 8.545 8.545 8.150 0.395 25663 8399 1 17 . 1 1 18 18 GLU N N 18 117.696 117.696 118.725 -1.029 25663 8400 1 17 . 1 1 18 18 GLU HA H 18 3.879 3.879 3.963 -0.085 25663 8401 1 17 . 1 1 18 18 GLU C C 18 178.624 178.624 179.331 -0.707 25663 8402 1 17 . 1 1 18 18 GLU CA C 18 58.432 58.432 58.812 -0.380 25663 8403 1 17 . 1 1 18 18 GLU CB C 18 30.814 30.814 29.656 1.158 25663 8404 1 17 . 1 1 18 18 GLU H H 18 7.327 7.327 7.509 -0.182 25663 8405 1 17 . 1 1 19 19 ALA N N 19 124.629 124.629 122.430 2.199 25663 8406 1 17 . 1 1 19 19 ALA HA H 19 3.871 3.871 4.035 -0.164 25663 8407 1 17 . 1 1 19 19 ALA C C 19 177.371 177.371 179.354 -1.983 25663 8408 1 17 . 1 1 19 19 ALA CA C 19 54.955 54.955 55.075 -0.120 25663 8409 1 17 . 1 1 19 19 ALA CB C 19 19.893 19.893 18.193 1.700 25663 8410 1 17 . 1 1 19 19 ALA H H 19 8.744 8.744 8.158 0.586 25663 8411 1 17 . 1 1 20 20 LYS N N 20 117.842 117.842 116.601 1.241 25663 8412 1 17 . 1 1 20 20 LYS HA H 20 3.435 3.435 3.969 -0.534 25663 8413 1 17 . 1 1 20 20 LYS C C 20 178.017 178.017 177.635 0.382 25663 8414 1 17 . 1 1 20 20 LYS CA C 20 60.086 60.086 58.960 1.126 25663 8415 1 17 . 1 1 20 20 LYS CB C 20 33.186 33.186 32.193 0.993 25663 8416 1 17 . 1 1 20 20 LYS H H 20 8.188 8.188 7.458 0.730 25663 8417 1 17 . 1 1 21 21 ALA N N 21 117.564 117.564 121.086 -3.522 25663 8418 1 17 . 1 1 21 21 ALA HA H 21 4.040 4.040 4.153 -0.113 25663 8419 1 17 . 1 1 21 21 ALA C C 21 180.598 180.598 179.362 1.236 25663 8420 1 17 . 1 1 21 21 ALA CA C 21 54.991 54.991 54.611 0.380 25663 8421 1 17 . 1 1 21 21 ALA CB C 21 18.071 18.071 18.789 -0.718 25663 8422 1 17 . 1 1 21 21 ALA H H 21 7.382 7.382 7.521 -0.139 25663 8423 1 17 . 1 1 22 22 VAL N N 22 120.351 120.351 116.025 4.326 25663 8424 1 17 . 1 1 22 22 VAL HA H 22 3.883 3.883 3.822 0.061 25663 8425 1 17 . 1 1 22 22 VAL C C 22 177.921 177.921 176.350 1.571 25663 8426 1 17 . 1 1 22 22 VAL CA C 22 66.242 66.242 65.637 0.605 25663 8427 1 17 . 1 1 22 22 VAL CB C 22 31.136 31.136 32.011 -0.875 25663 8428 1 17 . 1 1 22 22 VAL H H 22 8.203 8.203 7.503 0.700 25663 8429 1 17 . 1 1 23 23 CYS N N 23 116.368 116.368 115.853 0.515 25663 8430 1 17 . 1 1 23 23 CYS HA H 23 4.352 4.352 4.518 -0.166 25663 8431 1 17 . 1 1 23 23 CYS C C 23 178.687 178.687 174.015 4.672 25663 8432 1 17 . 1 1 23 23 CYS CA C 23 55.224 55.224 57.837 -2.614 25663 8433 1 17 . 1 1 23 23 CYS CB C 23 33.542 33.542 29.011 4.531 25663 8434 1 17 . 1 1 23 23 CYS H H 23 7.788 7.788 7.970 -0.182 25663 8435 1 17 . 1 1 24 24 GLU N N 24 120.341 120.341 119.873 0.468 25663 8436 1 17 . 1 1 24 24 GLU HA H 24 4.259 4.259 3.995 0.264 25663 8437 1 17 . 1 1 24 24 GLU C C 24 180.516 180.516 177.961 2.555 25663 8438 1 17 . 1 1 24 24 GLU CA C 24 58.412 58.412 58.827 -0.415 25663 8439 1 17 . 1 1 24 24 GLU CB C 24 28.855 28.855 29.209 -0.353 25663 8440 1 17 . 1 1 24 24 GLU H H 24 8.196 8.196 8.904 -0.708 25663 8441 1 17 . 1 1 25 25 PHE N N 25 124.937 124.937 119.381 5.556 25663 8442 1 17 . 1 1 25 25 PHE HA H 25 4.267 4.267 4.206 0.061 25663 8443 1 17 . 1 1 25 25 PHE C C 25 177.593 177.593 176.301 1.292 25663 8444 1 17 . 1 1 25 25 PHE CA C 25 60.845 60.845 60.854 -0.009 25663 8445 1 17 . 1 1 25 25 PHE CB C 25 39.035 39.035 39.275 -0.240 25663 8446 1 17 . 1 1 25 25 PHE H H 25 8.946 8.946 8.369 0.577 25663 8447 1 17 . 1 1 26 26 GLU N N 26 114.486 114.486 118.523 -4.037 25663 8448 1 17 . 1 1 26 26 GLU HA H 26 4.090 4.090 4.202 -0.112 25663 8449 1 17 . 1 1 26 26 GLU C C 26 175.712 175.712 177.333 -1.621 25663 8450 1 17 . 1 1 26 26 GLU CA C 26 56.249 56.249 56.219 0.029 25663 8451 1 17 . 1 1 26 26 GLU CB C 26 29.418 29.418 28.856 0.562 25663 8452 1 17 . 1 1 26 26 GLU H H 26 7.359 7.359 8.403 -1.044 25663 8453 1 17 . 1 1 27 27 GLY N N 27 106.503 106.503 108.032 -1.529 25663 8454 1 17 . 1 1 27 27 GLY C C 27 174.107 174.107 175.201 -1.094 25663 8455 1 17 . 1 1 27 27 GLY CA C 27 45.426 45.426 44.959 0.467 25663 8456 1 17 . 1 1 27 27 GLY H H 27 7.695 7.695 7.930 -0.235 25663 8457 1 17 . 1 1 28 28 GLY N N 28 109.515 109.515 108.568 0.947 25663 8458 1 17 . 1 1 28 28 GLY C C 28 172.079 172.079 173.168 -1.089 25663 8459 1 17 . 1 1 28 28 GLY CA C 28 43.788 43.788 44.500 -0.712 25663 8460 1 17 . 1 1 28 28 GLY H H 28 7.745 7.745 7.855 -0.110 25663 8461 1 17 . 1 1 29 29 HIS N N 29 116.220 116.220 114.041 2.179 25663 8462 1 17 . 1 1 29 29 HIS HA H 29 4.865 4.865 4.727 0.138 25663 8463 1 17 . 1 1 29 29 HIS C C 29 174.118 174.118 174.198 -0.080 25663 8464 1 17 . 1 1 29 29 HIS CA C 29 54.169 54.169 54.825 -0.656 25663 8465 1 17 . 1 1 29 29 HIS CB C 29 33.436 33.436 31.298 2.138 25663 8466 1 17 . 1 1 29 29 HIS H H 29 8.412 8.412 7.741 0.671 25663 8467 1 17 . 1 1 30 30 LEU N N 30 124.046 124.046 121.628 2.418 25663 8468 1 17 . 1 1 30 30 LEU HA H 30 4.912 4.912 4.287 0.625 25663 8469 1 17 . 1 1 30 30 LEU C C 30 178.158 178.158 177.467 0.691 25663 8470 1 17 . 1 1 30 30 LEU CA C 30 56.817 56.817 55.532 1.285 25663 8471 1 17 . 1 1 30 30 LEU CB C 30 42.534 42.534 42.670 -0.136 25663 8472 1 17 . 1 1 30 30 LEU H H 30 9.399 9.399 8.761 0.638 25663 8473 1 17 . 1 1 31 31 ALA N N 31 126.730 126.730 126.004 0.726 25663 8474 1 17 . 1 1 31 31 ALA HA H 31 4.403 4.403 4.283 0.120 25663 8475 1 17 . 1 1 31 31 ALA C C 31 176.879 176.879 177.168 -0.289 25663 8476 1 17 . 1 1 31 31 ALA CA C 31 52.006 52.006 52.763 -0.757 25663 8477 1 17 . 1 1 31 31 ALA CB C 31 19.593 19.593 18.859 0.734 25663 8478 1 17 . 1 1 31 31 ALA H H 31 9.331 9.331 8.215 1.116 25663 8479 1 17 . 1 1 32 32 THR N N 32 111.206 111.206 115.881 -4.675 25663 8480 1 17 . 1 1 32 32 THR HA H 32 4.528 4.528 4.485 0.043 25663 8481 1 17 . 1 1 32 32 THR C C 32 174.899 174.899 174.756 0.143 25663 8482 1 17 . 1 1 32 32 THR CA C 32 59.818 59.818 60.240 -0.422 25663 8483 1 17 . 1 1 32 32 THR CB C 32 70.949 70.949 71.647 -0.698 25663 8484 1 17 . 1 1 32 32 THR H H 32 8.511 8.511 7.746 0.765 25663 8485 1 17 . 1 1 33 33 TYR N N 33 121.971 121.971 124.441 -2.470 25663 8486 1 17 . 1 1 33 33 TYR HA H 33 3.745 3.745 3.899 -0.154 25663 8487 1 17 . 1 1 33 33 TYR C C 33 176.176 176.176 177.301 -1.125 25663 8488 1 17 . 1 1 33 33 TYR CA C 33 62.320 62.320 63.278 -0.958 25663 8489 1 17 . 1 1 33 33 TYR CB C 33 38.737 38.737 38.656 0.081 25663 8490 1 17 . 1 1 33 33 TYR H H 33 8.623 8.623 8.886 -0.263 25663 8491 1 17 . 1 1 34 34 LYS N N 34 116.509 116.509 117.958 -1.449 25663 8492 1 17 . 1 1 34 34 LYS HA H 34 3.905 3.905 3.848 0.057 25663 8493 1 17 . 1 1 34 34 LYS C C 34 180.207 180.207 179.070 1.137 25663 8494 1 17 . 1 1 34 34 LYS CA C 34 59.854 59.854 59.042 0.812 25663 8495 1 17 . 1 1 34 34 LYS CB C 34 32.743 32.743 31.676 1.067 25663 8496 1 17 . 1 1 34 34 LYS H H 34 8.284 8.284 8.419 -0.135 25663 8497 1 17 . 1 1 35 35 GLN N N 35 119.270 119.270 117.958 1.312 25663 8498 1 17 . 1 1 35 35 GLN HA H 35 3.822 3.822 3.932 -0.110 25663 8499 1 17 . 1 1 35 35 GLN C C 35 179.050 179.050 178.591 0.459 25663 8500 1 17 . 1 1 35 35 GLN CA C 35 58.402 58.402 57.789 0.613 25663 8501 1 17 . 1 1 35 35 GLN CB C 35 26.715 26.715 28.500 -1.785 25663 8502 1 17 . 1 1 35 35 GLN H H 35 7.747 7.747 7.542 0.205 25663 8503 1 17 . 1 1 36 36 LEU N N 36 122.992 122.992 121.565 1.427 25663 8504 1 17 . 1 1 36 36 LEU HA H 36 3.891 3.891 3.715 0.176 25663 8505 1 17 . 1 1 36 36 LEU C C 36 177.812 177.812 178.184 -0.372 25663 8506 1 17 . 1 1 36 36 LEU CA C 36 58.166 58.166 57.668 0.498 25663 8507 1 17 . 1 1 36 36 LEU CB C 36 41.981 41.981 41.731 0.250 25663 8508 1 17 . 1 1 36 36 LEU H H 36 8.473 8.473 8.516 -0.043 25663 8509 1 17 . 1 1 37 37 GLU N N 37 120.512 120.512 119.515 0.997 25663 8510 1 17 . 1 1 37 37 GLU HA H 37 4.244 4.244 3.646 0.598 25663 8511 1 17 . 1 1 37 37 GLU C C 37 177.984 177.984 178.366 -0.382 25663 8512 1 17 . 1 1 37 37 GLU CA C 37 58.018 58.018 59.739 -1.722 25663 8513 1 17 . 1 1 37 37 GLU CB C 37 28.236 28.236 29.244 -1.008 25663 8514 1 17 . 1 1 37 37 GLU H H 37 8.526 8.526 7.816 0.710 25663 8515 1 17 . 1 1 38 38 ALA N N 38 121.256 121.256 120.431 0.825 25663 8516 1 17 . 1 1 38 38 ALA HA H 38 3.995 3.995 4.067 -0.072 25663 8517 1 17 . 1 1 38 38 ALA C C 38 180.513 180.513 178.898 1.615 25663 8518 1 17 . 1 1 38 38 ALA CA C 38 54.968 54.968 54.553 0.415 25663 8519 1 17 . 1 1 38 38 ALA CB C 38 17.792 17.792 18.202 -0.410 25663 8520 1 17 . 1 1 38 38 ALA H H 38 7.806 7.806 7.688 0.118 25663 8521 1 17 . 1 1 39 39 ALA N N 39 120.185 120.185 120.972 -0.787 25663 8522 1 17 . 1 1 39 39 ALA HA H 39 4.164 4.164 4.233 -0.069 25663 8523 1 17 . 1 1 39 39 ALA C C 39 180.063 180.063 179.807 0.256 25663 8524 1 17 . 1 1 39 39 ALA CA C 39 54.064 54.064 53.765 0.299 25663 8525 1 17 . 1 1 39 39 ALA CB C 39 17.883 17.883 19.002 -1.119 25663 8526 1 17 . 1 1 39 39 ALA H H 39 7.495 7.495 7.432 0.063 25663 8527 1 17 . 1 1 40 40 ARG N N 40 124.604 124.604 120.143 4.461 25663 8528 1 17 . 1 1 40 40 ARG HA H 40 4.658 4.658 4.186 0.472 25663 8529 1 17 . 1 1 40 40 ARG C C 40 180.610 180.610 178.760 1.850 25663 8530 1 17 . 1 1 40 40 ARG CA C 40 58.559 58.559 58.397 0.162 25663 8531 1 17 . 1 1 40 40 ARG CB C 40 30.707 30.707 29.820 0.887 25663 8532 1 17 . 1 1 40 40 ARG H H 40 8.789 8.789 8.551 0.238 25663 8533 1 17 . 1 1 41 41 LYS N N 41 117.810 117.810 118.969 -1.159 25663 8534 1 17 . 1 1 41 41 LYS HA H 41 3.925 3.925 4.212 -0.287 25663 8535 1 17 . 1 1 41 41 LYS C C 41 178.134 178.134 177.577 0.557 25663 8536 1 17 . 1 1 41 41 LYS CA C 41 59.409 59.409 58.357 1.052 25663 8537 1 17 . 1 1 41 41 LYS CB C 41 32.786 32.786 32.343 0.443 25663 8538 1 17 . 1 1 41 41 LYS H H 41 8.267 8.267 7.644 0.623 25663 8539 1 17 . 1 1 42 42 ILE N N 42 110.889 110.889 118.305 -7.416 25663 8540 1 17 . 1 1 42 42 ILE HA H 42 4.581 4.581 4.229 0.352 25663 8541 1 17 . 1 1 42 42 ILE C C 42 176.527 176.527 176.122 0.405 25663 8542 1 17 . 1 1 42 42 ILE CA C 42 60.751 60.751 61.138 -0.387 25663 8543 1 17 . 1 1 42 42 ILE CB C 42 37.739 37.739 37.932 -0.193 25663 8544 1 17 . 1 1 42 42 ILE H H 42 7.263 7.263 7.890 -0.627 25663 8545 1 17 . 1 1 43 43 GLY N N 43 108.366 108.366 107.949 0.417 25663 8546 1 17 . 1 1 43 43 GLY C C 43 173.880 173.880 174.575 -0.695 25663 8547 1 17 . 1 1 43 43 GLY CA C 43 45.585 45.585 44.917 0.668 25663 8548 1 17 . 1 1 43 43 GLY H H 43 7.816 7.816 7.608 0.208 25663 8549 1 17 . 1 1 44 44 PHE N N 44 125.650 125.650 120.621 5.029 25663 8550 1 17 . 1 1 44 44 PHE HA H 44 4.510 4.510 4.440 0.070 25663 8551 1 17 . 1 1 44 44 PHE C C 44 171.183 171.183 174.844 -3.661 25663 8552 1 17 . 1 1 44 44 PHE CA C 44 59.012 59.012 59.292 -0.280 25663 8553 1 17 . 1 1 44 44 PHE CB C 44 39.986 39.986 40.053 -0.067 25663 8554 1 17 . 1 1 44 44 PHE H H 44 8.003 8.003 7.578 0.425 25663 8555 1 17 . 1 1 45 45 HIS N N 45 126.999 126.999 125.872 1.127 25663 8556 1 17 . 1 1 45 45 HIS HA H 45 4.728 4.728 4.734 -0.006 25663 8557 1 17 . 1 1 45 45 HIS C C 45 175.134 175.134 173.185 1.949 25663 8558 1 17 . 1 1 45 45 HIS CA C 45 55.539 55.539 55.829 -0.290 25663 8559 1 17 . 1 1 45 45 HIS CB C 45 34.586 34.586 31.019 3.567 25663 8560 1 17 . 1 1 45 45 HIS H H 45 7.326 7.326 8.043 -0.717 25663 8561 1 17 . 1 1 46 46 VAL N N 46 126.425 126.425 127.182 -0.757 25663 8562 1 17 . 1 1 46 46 VAL HA H 46 3.665 3.665 3.949 -0.284 25663 8563 1 17 . 1 1 46 46 VAL CA C 46 61.647 61.647 61.401 0.246 25663 8564 1 17 . 1 1 46 46 VAL CB C 46 35.141 35.141 34.275 0.866 25663 8565 1 17 . 1 1 46 46 VAL H H 46 8.147 8.147 8.312 -0.165 25663 8566 1 17 . 1 1 47 47 CYS N N 47 127.308 127.308 129.256 -1.948 25663 8567 1 17 . 1 1 47 47 CYS HA H 47 4.470 4.470 4.643 -0.173 25663 8568 1 17 . 1 1 47 47 CYS C C 47 172.533 172.533 173.673 -1.140 25663 8569 1 17 . 1 1 47 47 CYS CA C 47 55.259 55.259 58.196 -2.937 25663 8570 1 17 . 1 1 47 47 CYS CB C 47 44.867 44.867 24.691 20.176 25663 8571 1 17 . 1 1 47 47 CYS H H 47 8.675 8.675 8.882 -0.207 25663 8572 1 17 . 1 1 48 48 ALA N N 48 120.376 120.376 129.721 -9.345 25663 8573 1 17 . 1 1 48 48 ALA HA H 48 4.278 4.278 4.457 -0.179 25663 8574 1 17 . 1 1 48 48 ALA C C 48 173.936 173.936 175.621 -1.685 25663 8575 1 17 . 1 1 48 48 ALA CA C 48 51.286 51.286 52.114 -0.828 25663 8576 1 17 . 1 1 48 48 ALA CB C 48 19.831 19.831 20.664 -0.833 25663 8577 1 17 . 1 1 48 48 ALA H H 48 6.500 6.500 7.622 -1.122 25663 8578 1 17 . 1 1 49 49 ALA N N 49 130.715 130.715 125.757 4.958 25663 8579 1 17 . 1 1 49 49 ALA HA H 49 3.834 3.834 4.742 -0.908 25663 8580 1 17 . 1 1 49 49 ALA C C 49 176.061 176.061 177.268 -1.207 25663 8581 1 17 . 1 1 49 49 ALA CA C 49 53.466 53.466 52.214 1.252 25663 8582 1 17 . 1 1 49 49 ALA CB C 49 18.332 18.332 19.533 -1.201 25663 8583 1 17 . 1 1 49 49 ALA H H 49 8.424 8.424 8.162 0.262 25663 8584 1 17 . 1 1 50 50 GLY N N 50 107.085 107.085 109.405 -2.320 25663 8585 1 17 . 1 1 50 50 GLY C C 50 170.793 170.793 172.047 -1.254 25663 8586 1 17 . 1 1 50 50 GLY CA C 50 43.792 43.792 44.744 -0.952 25663 8587 1 17 . 1 1 50 50 GLY H H 50 8.746 8.746 7.945 0.801 25663 8588 1 17 . 1 1 51 51 TRP N N 51 121.565 121.565 119.389 2.176 25663 8589 1 17 . 1 1 51 51 TRP HA H 51 4.960 4.960 5.131 -0.171 25663 8590 1 17 . 1 1 51 51 TRP C C 51 174.095 174.095 175.489 -1.394 25663 8591 1 17 . 1 1 51 51 TRP CA C 51 58.852 58.852 57.044 1.808 25663 8592 1 17 . 1 1 51 51 TRP CB C 51 32.034 32.034 33.063 -1.029 25663 8593 1 17 . 1 1 51 51 TRP H H 51 8.596 8.596 8.330 0.266 25663 8594 1 17 . 1 1 52 52 MET N N 52 118.713 118.713 116.193 2.520 25663 8595 1 17 . 1 1 52 52 MET HA H 52 4.945 4.945 5.061 -0.116 25663 8596 1 17 . 1 1 52 52 MET C C 52 174.575 174.575 174.883 -0.308 25663 8597 1 17 . 1 1 52 52 MET CA C 52 54.277 54.277 53.817 0.460 25663 8598 1 17 . 1 1 52 52 MET CB C 52 39.146 39.146 37.813 1.333 25663 8599 1 17 . 1 1 52 52 MET H H 52 9.116 9.116 9.100 0.016 25663 8600 1 17 . 1 1 53 53 ALA N N 53 120.116 120.116 121.346 -1.230 25663 8601 1 17 . 1 1 53 53 ALA HA H 53 4.186 4.186 4.228 -0.042 25663 8602 1 17 . 1 1 53 53 ALA C C 53 178.250 178.250 178.766 -0.516 25663 8603 1 17 . 1 1 53 53 ALA CA C 53 53.791 53.791 53.478 0.313 25663 8604 1 17 . 1 1 53 53 ALA CB C 53 19.462 19.462 19.185 0.277 25663 8605 1 17 . 1 1 53 53 ALA H H 53 8.517 8.517 8.541 -0.024 25663 8606 1 17 . 1 1 54 54 LYS N N 54 112.641 112.641 120.402 -7.761 25663 8607 1 17 . 1 1 54 54 LYS HA H 54 3.857 3.857 3.939 -0.082 25663 8608 1 17 . 1 1 54 54 LYS C C 54 175.913 175.913 176.234 -0.321 25663 8609 1 17 . 1 1 54 54 LYS CA C 54 57.608 57.608 56.895 0.714 25663 8610 1 17 . 1 1 54 54 LYS CB C 54 29.796 29.796 30.155 -0.359 25663 8611 1 17 . 1 1 54 54 LYS H H 54 8.866 8.866 8.870 -0.004 25663 8612 1 17 . 1 1 55 55 GLY N N 55 104.227 104.227 103.030 1.197 25663 8613 1 17 . 1 1 55 55 GLY C C 55 173.820 173.820 174.172 -0.352 25663 8614 1 17 . 1 1 55 55 GLY CA C 55 45.933 45.933 45.236 0.697 25663 8615 1 17 . 1 1 55 55 GLY H H 55 8.239 8.239 8.062 0.177 25663 8616 1 17 . 1 1 56 56 ARG N N 56 122.045 122.045 120.166 1.879 25663 8617 1 17 . 1 1 56 56 ARG HA H 56 4.771 4.771 4.533 0.238 25663 8618 1 17 . 1 1 56 56 ARG C C 56 173.828 173.828 175.043 -1.215 25663 8619 1 17 . 1 1 56 56 ARG CA C 56 55.010 55.010 56.508 -1.498 25663 8620 1 17 . 1 1 56 56 ARG CB C 56 31.939 31.939 31.754 0.185 25663 8621 1 17 . 1 1 56 56 ARG H H 56 6.825 6.825 7.501 -0.676 25663 8622 1 17 . 1 1 57 57 VAL N N 57 122.581 122.581 119.083 3.498 25663 8623 1 17 . 1 1 57 57 VAL HA H 57 4.632 4.632 5.002 -0.370 25663 8624 1 17 . 1 1 57 57 VAL C C 57 173.775 173.775 174.182 -0.407 25663 8625 1 17 . 1 1 57 57 VAL CA C 57 59.946 59.946 59.264 0.682 25663 8626 1 17 . 1 1 57 57 VAL CB C 57 35.191 35.191 35.377 -0.186 25663 8627 1 17 . 1 1 57 57 VAL H H 57 7.084 7.084 7.663 -0.579 25663 8628 1 17 . 1 1 58 58 GLY N N 58 112.994 112.994 108.769 4.225 25663 8629 1 17 . 1 1 58 58 GLY C C 58 171.431 171.431 172.067 -0.636 25663 8630 1 17 . 1 1 58 58 GLY CA C 58 46.285 46.285 45.233 1.052 25663 8631 1 17 . 1 1 58 58 GLY H H 58 8.112 8.112 7.626 0.486 25663 8632 1 17 . 1 1 59 59 TYR N N 59 111.540 111.540 113.861 -2.321 25663 8633 1 17 . 1 1 59 59 TYR HA H 59 4.337 4.337 4.928 -0.591 25663 8634 1 17 . 1 1 59 59 TYR CA C 59 55.972 55.972 54.688 1.284 25663 8635 1 17 . 1 1 59 59 TYR CB C 59 34.363 34.363 38.404 -4.041 25663 8636 1 17 . 1 1 59 59 TYR H H 59 7.796 7.796 7.941 -0.145 25663 8637 1 17 . 1 1 60 60 PRO HA H 60 4.497 4.497 4.363 0.134 25663 8638 1 17 . 1 1 60 60 PRO CA C 60 62.231 62.231 63.429 -1.198 25663 8639 1 17 . 1 1 60 60 PRO CB C 60 33.314 33.314 32.035 1.279 25663 8640 1 17 . 1 1 61 61 ILE HA H 61 4.444 4.444 4.528 -0.084 25663 8641 1 17 . 1 1 61 61 ILE CA C 61 56.601 56.601 60.657 -4.056 25663 8642 1 17 . 1 1 61 61 ILE CB C 61 38.417 38.417 39.965 -1.548 25663 8643 1 17 . 1 1 62 62 VAL HA H 62 3.935 3.935 3.818 0.117 25663 8644 1 17 . 1 1 62 62 VAL CA C 62 64.377 64.377 63.704 0.673 25663 8645 1 17 . 1 1 62 62 VAL CB C 62 34.087 34.087 31.837 2.250 25663 8646 1 17 . 1 1 62 62 VAL H H 62 11.229 11.229 8.118 3.111 25663 8647 1 17 . 1 1 63 63 LYS N N 63 122.578 122.578 115.235 7.343 25663 8648 1 17 . 1 1 63 63 LYS HA H 63 4.753 4.753 4.549 0.204 25663 8649 1 17 . 1 1 63 63 LYS CA C 63 52.473 52.473 53.540 -1.067 25663 8650 1 17 . 1 1 63 63 LYS CB C 63 32.983 32.983 32.779 0.204 25663 8651 1 17 . 1 1 63 63 LYS H H 63 7.501 7.501 7.527 -0.026 25663 8652 1 17 . 1 1 64 64 PRO HA H 64 4.362 4.362 4.236 0.127 25663 8653 1 17 . 1 1 64 64 PRO CA C 64 63.124 63.124 63.158 -0.034 25663 8654 1 17 . 1 1 64 64 PRO CB C 64 32.121 32.121 32.142 -0.021 25663 8655 1 17 . 1 1 65 65 GLY CA C 65 45.512 45.512 44.704 0.808 25663 8656 1 17 . 1 1 65 65 GLY H H 65 8.377 8.377 7.595 0.782 25663 8657 1 17 . 1 1 66 66 PRO HA H 66 4.010 4.010 4.291 -0.281 25663 8658 1 17 . 1 1 66 66 PRO C C 66 177.072 177.072 177.788 -0.716 25663 8659 1 17 . 1 1 66 66 PRO CA C 66 64.765 64.765 64.275 0.490 25663 8660 1 17 . 1 1 66 66 PRO CB C 66 32.121 32.121 32.367 -0.246 25663 8661 1 17 . 1 1 67 67 ASN N N 67 114.419 114.419 118.246 -3.827 25663 8662 1 17 . 1 1 67 67 ASN HA H 67 4.995 4.995 4.642 0.353 25663 8663 1 17 . 1 1 67 67 ASN C C 67 173.872 173.872 175.095 -1.223 25663 8664 1 17 . 1 1 67 67 ASN CA C 67 52.349 52.349 54.000 -1.651 25663 8665 1 17 . 1 1 67 67 ASN CB C 67 38.955 38.955 38.678 0.277 25663 8666 1 17 . 1 1 67 67 ASN H H 67 8.330 8.330 8.595 -0.265 25663 8667 1 17 . 1 1 68 68 CYS N N 68 118.995 118.995 113.233 5.762 25663 8668 1 17 . 1 1 68 68 CYS HA H 68 5.034 5.034 4.564 0.470 25663 8669 1 17 . 1 1 68 68 CYS CA C 68 54.247 54.247 57.690 -3.443 25663 8670 1 17 . 1 1 68 68 CYS CB C 68 44.260 44.260 31.374 12.886 25663 8671 1 17 . 1 1 68 68 CYS H H 68 7.327 7.327 7.685 -0.358 25663 8672 1 17 . 1 1 70 70 PHE HA H 70 4.305 4.305 4.544 -0.239 25663 8673 1 17 . 1 1 70 70 PHE CA C 70 58.889 58.889 57.784 1.105 25663 8674 1 17 . 1 1 70 70 PHE CB C 70 36.557 36.557 39.063 -2.506 25663 8675 1 17 . 1 1 71 71 GLY N N 71 105.368 105.368 111.128 -5.760 25663 8676 1 17 . 1 1 71 71 GLY CA C 71 46.043 46.043 46.531 -0.488 25663 8677 1 17 . 1 1 71 71 GLY H H 71 7.339 7.339 8.525 -1.186 25663 8678 1 17 . 1 1 72 72 LYS N N 72 120.404 120.404 120.036 0.368 25663 8679 1 17 . 1 1 72 72 LYS HA H 72 4.264 4.264 4.479 -0.214 25663 8680 1 17 . 1 1 72 72 LYS C C 72 175.440 175.440 174.363 1.077 25663 8681 1 17 . 1 1 72 72 LYS CA C 72 56.413 56.413 56.470 -0.057 25663 8682 1 17 . 1 1 72 72 LYS CB C 72 33.686 33.686 33.567 0.119 25663 8683 1 17 . 1 1 72 72 LYS H H 72 6.946 6.946 8.464 -1.518 25663 8684 1 17 . 1 1 73 73 THR N N 73 110.334 110.334 110.221 0.113 25663 8685 1 17 . 1 1 73 73 THR HA H 73 4.233 4.233 4.796 -0.563 25663 8686 1 17 . 1 1 73 73 THR C C 73 173.774 173.774 174.352 -0.578 25663 8687 1 17 . 1 1 73 73 THR CA C 73 60.879 60.879 60.773 0.106 25663 8688 1 17 . 1 1 73 73 THR CB C 73 70.841 70.841 71.512 -0.671 25663 8689 1 17 . 1 1 73 73 THR H H 73 7.911 7.911 7.672 0.239 25663 8690 1 17 . 1 1 74 74 GLY N N 74 109.589 109.589 109.933 -0.344 25663 8691 1 17 . 1 1 74 74 GLY C C 74 172.715 172.715 173.797 -1.082 25663 8692 1 17 . 1 1 74 74 GLY CA C 74 43.404 43.404 44.731 -1.327 25663 8693 1 17 . 1 1 74 74 GLY H H 74 7.904 7.904 7.893 0.011 25663 8694 1 17 . 1 1 75 75 ILE N N 75 120.787 120.787 122.536 -1.749 25663 8695 1 17 . 1 1 75 75 ILE HA H 75 4.221 4.221 4.101 0.120 25663 8696 1 17 . 1 1 75 75 ILE C C 75 176.249 176.249 175.471 0.778 25663 8697 1 17 . 1 1 75 75 ILE CA C 75 59.422 59.422 61.050 -1.628 25663 8698 1 17 . 1 1 75 75 ILE CB C 75 36.008 36.008 38.907 -2.900 25663 8699 1 17 . 1 1 75 75 ILE H H 75 8.265 8.265 8.267 -0.002 25663 8700 1 17 . 1 1 76 76 ILE N N 76 134.542 134.542 117.957 16.585 25663 8701 1 17 . 1 1 76 76 ILE HA H 76 3.587 3.587 3.683 -0.096 25663 8702 1 17 . 1 1 76 76 ILE C C 76 173.769 173.769 173.288 0.481 25663 8703 1 17 . 1 1 76 76 ILE CA C 76 59.599 59.599 61.384 -1.785 25663 8704 1 17 . 1 1 76 76 ILE CB C 76 33.139 33.139 37.995 -4.856 25663 8705 1 17 . 1 1 76 76 ILE H H 76 8.660 8.660 7.928 0.732 25663 8706 1 17 . 1 1 77 77 ASP N N 77 126.213 126.213 122.038 4.175 25663 8707 1 17 . 1 1 77 77 ASP HA H 77 4.790 4.790 4.277 0.513 25663 8708 1 17 . 1 1 77 77 ASP C C 77 176.390 176.390 175.016 1.374 25663 8709 1 17 . 1 1 77 77 ASP CA C 77 52.927 52.927 52.164 0.763 25663 8710 1 17 . 1 1 77 77 ASP CB C 77 44.224 44.224 42.002 2.222 25663 8711 1 17 . 1 1 77 77 ASP H H 77 7.925 7.925 7.858 0.067 25663 8712 1 17 . 1 1 78 78 TYR N N 78 126.424 126.424 122.855 3.569 25663 8713 1 17 . 1 1 78 78 TYR HA H 78 4.780 4.780 4.337 0.443 25663 8714 1 17 . 1 1 78 78 TYR C C 78 177.025 177.025 176.778 0.247 25663 8715 1 17 . 1 1 78 78 TYR CA C 78 54.257 54.257 60.225 -5.968 25663 8716 1 17 . 1 1 78 78 TYR CB C 78 36.513 36.513 38.915 -2.402 25663 8717 1 17 . 1 1 78 78 TYR H H 78 9.313 9.313 8.387 0.926 25663 8718 1 17 . 1 1 79 79 GLY N N 79 110.776 110.776 104.656 6.120 25663 8719 1 17 . 1 1 79 79 GLY C C 79 172.389 172.389 172.742 -0.353 25663 8720 1 17 . 1 1 79 79 GLY CA C 79 44.317 44.317 44.324 -0.007 25663 8721 1 17 . 1 1 79 79 GLY H H 79 8.880 8.880 7.874 1.006 25663 8722 1 17 . 1 1 80 80 ILE N N 80 117.437 117.437 123.953 -6.516 25663 8723 1 17 . 1 1 80 80 ILE HA H 80 3.897 3.897 4.305 -0.408 25663 8724 1 17 . 1 1 80 80 ILE C C 80 177.495 177.495 175.755 1.740 25663 8725 1 17 . 1 1 80 80 ILE CA C 80 61.293 61.293 61.127 0.167 25663 8726 1 17 . 1 1 80 80 ILE CB C 80 36.412 36.412 37.361 -0.949 25663 8727 1 17 . 1 1 80 80 ILE H H 80 8.189 8.189 8.324 -0.135 25663 8728 1 17 . 1 1 81 81 ARG N N 81 128.585 128.585 128.231 0.354 25663 8729 1 17 . 1 1 81 81 ARG HA H 81 4.367 4.367 4.509 -0.142 25663 8730 1 17 . 1 1 81 81 ARG CA C 81 52.745 52.745 55.571 -2.825 25663 8731 1 17 . 1 1 81 81 ARG CB C 81 27.133 27.133 30.998 -3.865 25663 8732 1 17 . 1 1 81 81 ARG H H 81 8.367 8.367 8.159 0.208 25663 8733 1 17 . 1 1 82 82 LEU HA H 82 4.145 4.145 4.457 -0.312 25663 8734 1 17 . 1 1 82 82 LEU C C 82 177.546 177.546 177.107 0.439 25663 8735 1 17 . 1 1 82 82 LEU CA C 82 56.857 56.857 56.179 0.678 25663 8736 1 17 . 1 1 82 82 LEU CB C 82 42.266 42.266 41.931 0.335 25663 8737 1 17 . 1 1 82 82 LEU H H 82 8.226 8.226 8.686 -0.460 25663 8738 1 17 . 1 1 83 83 ASN N N 83 115.779 115.779 116.247 -0.468 25663 8739 1 17 . 1 1 83 83 ASN HA H 83 4.913 4.913 4.780 0.133 25663 8740 1 17 . 1 1 83 83 ASN C C 83 175.764 175.764 176.203 -0.439 25663 8741 1 17 . 1 1 83 83 ASN CA C 83 51.627 51.627 52.817 -1.190 25663 8742 1 17 . 1 1 83 83 ASN CB C 83 37.505 37.505 37.848 -0.343 25663 8743 1 17 . 1 1 83 83 ASN H H 83 8.628 8.628 8.467 0.161 25663 8744 1 17 . 1 1 84 84 ARG N N 84 121.554 121.554 119.795 1.759 25663 8745 1 17 . 1 1 84 84 ARG HA H 84 4.637 4.637 3.900 0.737 25663 8746 1 17 . 1 1 84 84 ARG C C 84 177.197 177.197 177.190 0.007 25663 8747 1 17 . 1 1 84 84 ARG CA C 84 56.695 56.695 58.799 -2.104 25663 8748 1 17 . 1 1 84 84 ARG CB C 84 29.361 29.361 28.952 0.409 25663 8749 1 17 . 1 1 84 84 ARG H H 84 8.593 8.593 7.960 0.633 25663 8750 1 17 . 1 1 85 85 SER N N 85 116.623 116.623 114.647 1.976 25663 8751 1 17 . 1 1 85 85 SER HA H 85 4.628 4.628 4.234 0.394 25663 8752 1 17 . 1 1 85 85 SER C C 85 174.403 174.403 175.276 -0.873 25663 8753 1 17 . 1 1 85 85 SER CA C 85 58.827 58.827 60.548 -1.721 25663 8754 1 17 . 1 1 85 85 SER CB C 85 62.996 62.996 62.975 0.021 25663 8755 1 17 . 1 1 85 85 SER H H 85 8.567 8.567 8.465 0.102 25663 8756 1 17 . 1 1 86 86 GLU N N 86 121.171 121.171 120.849 0.322 25663 8757 1 17 . 1 1 86 86 GLU HA H 86 3.864 3.864 4.441 -0.577 25663 8758 1 17 . 1 1 86 86 GLU C C 86 174.422 174.422 176.480 -2.058 25663 8759 1 17 . 1 1 86 86 GLU CA C 86 57.520 57.520 56.067 1.453 25663 8760 1 17 . 1 1 86 86 GLU CB C 86 31.292 31.292 30.855 0.437 25663 8761 1 17 . 1 1 86 86 GLU H H 86 7.219 7.219 8.358 -1.139 25663 8762 1 17 . 1 1 87 87 ARG N N 87 118.124 118.124 118.619 -0.495 25663 8763 1 17 . 1 1 87 87 ARG HA H 87 4.687 4.687 4.617 0.070 25663 8764 1 17 . 1 1 87 87 ARG C C 87 173.408 173.408 174.922 -1.514 25663 8765 1 17 . 1 1 87 87 ARG CA C 87 54.387 54.387 55.479 -1.092 25663 8766 1 17 . 1 1 87 87 ARG CB C 87 31.544 31.544 32.792 -1.248 25663 8767 1 17 . 1 1 87 87 ARG H H 87 7.263 7.263 8.324 -1.061 25663 8768 1 17 . 1 1 88 88 TRP N N 88 121.383 121.383 122.099 -0.716 25663 8769 1 17 . 1 1 88 88 TRP HA H 88 4.899 4.899 4.917 -0.018 25663 8770 1 17 . 1 1 88 88 TRP CA C 88 54.508 54.508 57.334 -2.826 25663 8771 1 17 . 1 1 88 88 TRP CB C 88 33.610 33.610 31.543 2.067 25663 8772 1 17 . 1 1 88 88 TRP H H 88 8.811 8.811 8.737 0.074 25663 8773 1 17 . 1 1 89 89 ASP N N 89 119.285 119.285 119.620 -0.335 25663 8774 1 17 . 1 1 89 89 ASP HA H 89 5.602 5.602 4.835 0.767 25663 8775 1 17 . 1 1 89 89 ASP C C 89 173.648 173.648 174.854 -1.206 25663 8776 1 17 . 1 1 89 89 ASP CA C 89 54.558 54.558 53.976 0.582 25663 8777 1 17 . 1 1 89 89 ASP CB C 89 40.438 40.438 42.644 -2.206 25663 8778 1 17 . 1 1 89 89 ASP H H 89 8.552 8.552 8.535 0.017 25663 8779 1 17 . 1 1 90 90 ALA N N 90 121.014 121.014 119.058 1.956 25663 8780 1 17 . 1 1 90 90 ALA HA H 90 5.095 5.095 4.735 0.360 25663 8781 1 17 . 1 1 90 90 ALA C C 90 175.076 175.076 175.420 -0.344 25663 8782 1 17 . 1 1 90 90 ALA CA C 90 52.089 52.089 51.895 0.194 25663 8783 1 17 . 1 1 90 90 ALA CB C 90 23.118 23.118 22.125 0.993 25663 8784 1 17 . 1 1 90 90 ALA H H 90 8.449 8.449 7.972 0.477 25663 8785 1 17 . 1 1 91 91 TYR N N 91 118.243 118.243 118.406 -0.163 25663 8786 1 17 . 1 1 91 91 TYR HA H 91 5.072 5.072 4.897 0.175 25663 8787 1 17 . 1 1 91 91 TYR C C 91 174.671 174.671 174.704 -0.033 25663 8788 1 17 . 1 1 91 91 TYR CA C 91 58.787 58.787 57.851 0.936 25663 8789 1 17 . 1 1 91 91 TYR CB C 91 40.686 40.686 42.963 -2.277 25663 8790 1 17 . 1 1 91 91 TYR H H 91 8.421 8.421 8.392 0.029 25663 8791 1 17 . 1 1 92 92 CYS N N 92 119.931 119.931 121.274 -1.343 25663 8792 1 17 . 1 1 92 92 CYS HA H 92 5.263 5.263 4.910 0.353 25663 8793 1 17 . 1 1 92 92 CYS C C 92 172.698 172.698 172.413 0.285 25663 8794 1 17 . 1 1 92 92 CYS CA C 92 50.601 50.601 57.645 -7.044 25663 8795 1 17 . 1 1 92 92 CYS CB C 92 37.818 37.818 29.917 7.901 25663 8796 1 17 . 1 1 92 92 CYS H H 92 8.459 8.459 9.257 -0.798 25663 8797 1 17 . 1 1 93 93 TYR N N 93 120.805 120.805 126.611 -5.806 25663 8798 1 17 . 1 1 93 93 TYR HA H 93 4.903 4.903 4.878 0.025 25663 8799 1 17 . 1 1 93 93 TYR C C 93 173.902 173.902 172.929 0.973 25663 8800 1 17 . 1 1 93 93 TYR CA C 93 57.096 57.096 56.439 0.657 25663 8801 1 17 . 1 1 93 93 TYR CB C 93 41.665 41.665 40.926 0.739 25663 8802 1 17 . 1 1 93 93 TYR H H 93 9.410 9.410 8.334 1.076 25663 8803 1 17 . 1 1 94 94 ASN N N 94 124.511 124.511 126.188 -1.677 25663 8804 1 17 . 1 1 94 94 ASN HA H 94 4.774 4.774 4.906 -0.132 25663 8805 1 17 . 1 1 94 94 ASN CA C 94 49.599 49.599 50.424 -0.825 25663 8806 1 17 . 1 1 94 94 ASN CB C 94 41.642 41.642 38.705 2.937 25663 8807 1 17 . 1 1 94 94 ASN H H 94 7.832 7.832 7.328 0.504 25663 8808 1 17 . 1 1 95 95 PRO HA H 95 4.141 4.141 4.128 0.013 25663 8809 1 17 . 1 1 95 95 PRO C C 95 176.345 176.345 176.558 -0.213 25663 8810 1 17 . 1 1 95 95 PRO CA C 95 63.800 63.800 63.356 0.444 25663 8811 1 17 . 1 1 95 95 PRO CB C 95 32.046 32.046 31.736 0.310 25663 8812 1 17 . 1 1 96 96 HIS N N 96 116.009 116.009 122.193 -6.184 25663 8813 1 17 . 1 1 96 96 HIS HA H 96 4.623 4.623 4.214 0.409 25663 8814 1 17 . 1 1 96 96 HIS C C 96 173.999 173.999 175.197 -1.198 25663 8815 1 17 . 1 1 96 96 HIS CA C 96 55.046 55.046 57.985 -2.939 25663 8816 1 17 . 1 1 96 96 HIS CB C 96 28.821 28.821 29.624 -0.803 25663 8817 1 17 . 1 1 96 96 HIS H H 96 8.354 8.354 8.513 -0.159 25663 8818 1 17 . 1 1 97 97 ALA N N 97 123.775 123.775 125.780 -2.005 25663 8819 1 17 . 1 1 97 97 ALA HA H 97 4.269 4.269 4.358 -0.089 25663 8820 1 17 . 1 1 97 97 ALA C C 97 176.350 176.350 175.577 0.773 25663 8821 1 17 . 1 1 97 97 ALA CA C 97 51.796 51.796 52.179 -0.383 25663 8822 1 17 . 1 1 97 97 ALA CB C 97 19.648 19.648 19.577 0.071 25663 8823 1 17 . 1 1 97 97 ALA H H 97 7.387 7.387 8.468 -1.081 25663 8824 1 18 . 1 1 2 2 VAL N N 2 122.742 122.742 119.712 3.030 25663 8825 1 18 . 1 1 2 2 VAL HA H 2 5.257 5.257 4.235 1.022 25663 8826 1 18 . 1 1 2 2 VAL C C 2 174.533 174.533 174.459 0.074 25663 8827 1 18 . 1 1 2 2 VAL CA C 2 60.536 60.536 61.221 -0.685 25663 8828 1 18 . 1 1 2 2 VAL CB C 2 33.278 33.278 33.255 0.023 25663 8829 1 18 . 1 1 2 2 VAL H H 2 8.486 8.486 7.403 1.083 25663 8830 1 18 . 1 1 3 3 TYR N N 3 120.172 120.172 127.783 -7.611 25663 8831 1 18 . 1 1 3 3 TYR HA H 3 4.964 4.964 4.978 -0.014 25663 8832 1 18 . 1 1 3 3 TYR C C 3 173.399 173.399 173.943 -0.544 25663 8833 1 18 . 1 1 3 3 TYR CA C 3 56.073 56.073 56.822 -0.749 25663 8834 1 18 . 1 1 3 3 TYR CB C 3 40.278 40.278 41.835 -1.557 25663 8835 1 18 . 1 1 3 3 TYR H H 3 8.715 8.715 8.360 0.355 25663 8836 1 18 . 1 1 4 4 HIS N N 4 121.237 121.237 126.697 -5.460 25663 8837 1 18 . 1 1 4 4 HIS HA H 4 4.929 4.929 4.773 0.156 25663 8838 1 18 . 1 1 4 4 HIS C C 4 172.844 172.844 174.262 -1.418 25663 8839 1 18 . 1 1 4 4 HIS CA C 4 54.154 54.154 57.178 -3.024 25663 8840 1 18 . 1 1 4 4 HIS CB C 4 30.961 30.961 30.786 0.175 25663 8841 1 18 . 1 1 4 4 HIS H H 4 9.414 9.414 8.461 0.953 25663 8842 1 18 . 1 1 5 5 ARG N N 5 128.770 128.770 124.361 4.409 25663 8843 1 18 . 1 1 5 5 ARG HA H 5 4.619 4.619 4.521 0.098 25663 8844 1 18 . 1 1 5 5 ARG C C 5 172.967 172.967 173.953 -0.986 25663 8845 1 18 . 1 1 5 5 ARG CA C 5 53.177 53.177 53.930 -0.753 25663 8846 1 18 . 1 1 5 5 ARG CB C 5 33.832 33.832 33.387 0.445 25663 8847 1 18 . 1 1 5 5 ARG H H 5 8.805 8.805 7.778 1.027 25663 8848 1 18 . 1 1 6 6 GLU N N 6 121.037 121.037 121.285 -0.248 25663 8849 1 18 . 1 1 6 6 GLU HA H 6 4.490 4.490 4.568 -0.078 25663 8850 1 18 . 1 1 6 6 GLU C C 6 176.264 176.264 174.940 1.324 25663 8851 1 18 . 1 1 6 6 GLU CA C 6 53.336 53.336 54.976 -1.640 25663 8852 1 18 . 1 1 6 6 GLU CB C 6 33.133 33.133 32.455 0.678 25663 8853 1 18 . 1 1 6 6 GLU H H 6 8.232 8.232 8.410 -0.178 25663 8854 1 18 . 1 1 7 7 ALA N N 7 123.438 123.438 126.386 -2.948 25663 8855 1 18 . 1 1 7 7 ALA HA H 7 4.215 4.215 4.187 0.028 25663 8856 1 18 . 1 1 7 7 ALA C C 7 178.419 178.419 177.962 0.457 25663 8857 1 18 . 1 1 7 7 ALA CA C 7 52.182 52.182 52.806 -0.624 25663 8858 1 18 . 1 1 7 7 ALA CB C 7 20.128 20.128 19.307 0.821 25663 8859 1 18 . 1 1 7 7 ALA H H 7 8.756 8.756 8.502 0.254 25663 8860 1 18 . 1 1 8 8 ARG N N 8 122.559 122.559 122.982 -0.423 25663 8861 1 18 . 1 1 8 8 ARG HA H 8 3.998 3.998 4.236 -0.238 25663 8862 1 18 . 1 1 8 8 ARG C C 8 177.448 177.448 176.859 0.589 25663 8863 1 18 . 1 1 8 8 ARG CA C 8 58.660 58.660 57.782 0.878 25663 8864 1 18 . 1 1 8 8 ARG CB C 8 29.406 29.406 30.536 -1.130 25663 8865 1 18 . 1 1 8 8 ARG H H 8 8.945 8.945 8.747 0.198 25663 8866 1 18 . 1 1 9 9 SER N N 9 107.309 107.309 113.280 -5.971 25663 8867 1 18 . 1 1 9 9 SER HA H 9 4.261 4.261 4.562 -0.301 25663 8868 1 18 . 1 1 9 9 SER C C 9 174.411 174.411 174.571 -0.160 25663 8869 1 18 . 1 1 9 9 SER CA C 9 58.081 58.081 58.036 0.045 25663 8870 1 18 . 1 1 9 9 SER CB C 9 62.972 62.972 63.944 -0.972 25663 8871 1 18 . 1 1 9 9 SER H H 9 7.445 7.445 7.826 -0.381 25663 8872 1 18 . 1 1 10 10 GLY N N 10 109.574 109.574 110.565 -0.991 25663 8873 1 18 . 1 1 10 10 GLY C C 10 171.580 171.580 173.650 -2.070 25663 8874 1 18 . 1 1 10 10 GLY CA C 10 44.036 44.036 44.442 -0.406 25663 8875 1 18 . 1 1 10 10 GLY H H 10 7.379 7.379 7.797 -0.418 25663 8876 1 18 . 1 1 11 11 LYS N N 11 121.683 121.683 120.078 1.605 25663 8877 1 18 . 1 1 11 11 LYS HA H 11 3.993 3.993 4.378 -0.385 25663 8878 1 18 . 1 1 11 11 LYS C C 11 175.995 175.995 175.178 0.817 25663 8879 1 18 . 1 1 11 11 LYS CA C 11 57.374 57.374 55.282 2.092 25663 8880 1 18 . 1 1 11 11 LYS CB C 11 34.009 34.009 32.278 1.731 25663 8881 1 18 . 1 1 11 11 LYS H H 11 8.040 8.040 8.338 -0.298 25663 8882 1 18 . 1 1 12 12 TYR N N 12 122.956 122.956 119.534 3.422 25663 8883 1 18 . 1 1 12 12 TYR HA H 12 3.990 3.990 4.213 -0.223 25663 8884 1 18 . 1 1 12 12 TYR C C 12 173.905 173.905 175.079 -1.174 25663 8885 1 18 . 1 1 12 12 TYR CA C 12 54.397 54.397 58.955 -4.558 25663 8886 1 18 . 1 1 12 12 TYR CB C 12 32.105 32.105 36.541 -4.436 25663 8887 1 18 . 1 1 12 12 TYR H H 12 9.830 9.830 8.172 1.658 25663 8888 1 18 . 1 1 13 13 LYS N N 13 114.683 114.683 119.971 -5.288 25663 8889 1 18 . 1 1 13 13 LYS HA H 13 4.577 4.577 4.509 0.068 25663 8890 1 18 . 1 1 13 13 LYS C C 13 176.999 176.999 174.597 2.402 25663 8891 1 18 . 1 1 13 13 LYS CA C 13 55.014 55.014 55.902 -0.888 25663 8892 1 18 . 1 1 13 13 LYS CB C 13 35.021 35.021 32.928 2.093 25663 8893 1 18 . 1 1 13 13 LYS H H 13 8.445 8.445 8.257 0.188 25663 8894 1 18 . 1 1 14 14 LEU N N 14 123.176 123.176 121.793 1.383 25663 8895 1 18 . 1 1 14 14 LEU HA H 14 5.122 5.122 5.113 0.009 25663 8896 1 18 . 1 1 14 14 LEU C C 14 178.304 178.304 176.647 1.657 25663 8897 1 18 . 1 1 14 14 LEU CA C 14 54.800 54.800 53.633 1.167 25663 8898 1 18 . 1 1 14 14 LEU CB C 14 43.528 43.528 43.901 -0.373 25663 8899 1 18 . 1 1 14 14 LEU H H 14 9.479 9.479 7.699 1.780 25663 8900 1 18 . 1 1 15 15 THR N N 15 116.144 116.144 116.075 0.069 25663 8901 1 18 . 1 1 15 15 THR HA H 15 5.485 5.485 4.456 1.029 25663 8902 1 18 . 1 1 15 15 THR C C 15 174.697 174.697 174.718 -0.021 25663 8903 1 18 . 1 1 15 15 THR CA C 15 61.722 61.722 59.444 2.278 25663 8904 1 18 . 1 1 15 15 THR CB C 15 70.914 70.914 72.115 -1.201 25663 8905 1 18 . 1 1 15 15 THR H H 15 8.792 8.792 8.158 0.634 25663 8906 1 18 . 1 1 16 16 TYR N N 16 120.594 120.594 123.810 -3.216 25663 8907 1 18 . 1 1 16 16 TYR HA H 16 2.375 2.375 3.897 -1.522 25663 8908 1 18 . 1 1 16 16 TYR C C 16 176.133 176.133 176.635 -0.502 25663 8909 1 18 . 1 1 16 16 TYR CA C 16 61.408 61.408 63.293 -1.885 25663 8910 1 18 . 1 1 16 16 TYR CB C 16 36.889 36.889 38.092 -1.203 25663 8911 1 18 . 1 1 16 16 TYR H H 16 7.402 7.402 8.109 -0.707 25663 8912 1 18 . 1 1 17 17 ALA N N 17 118.108 118.108 119.286 -1.178 25663 8913 1 18 . 1 1 17 17 ALA HA H 17 3.509 3.509 3.661 -0.152 25663 8914 1 18 . 1 1 17 17 ALA C C 17 181.575 181.575 179.292 2.283 25663 8915 1 18 . 1 1 17 17 ALA CA C 17 54.732 54.732 54.779 -0.047 25663 8916 1 18 . 1 1 17 17 ALA CB C 17 18.124 18.124 18.073 0.051 25663 8917 1 18 . 1 1 17 17 ALA H H 17 8.545 8.545 8.187 0.358 25663 8918 1 18 . 1 1 18 18 GLU N N 18 117.696 117.696 117.706 -0.010 25663 8919 1 18 . 1 1 18 18 GLU HA H 18 3.879 3.879 4.004 -0.125 25663 8920 1 18 . 1 1 18 18 GLU C C 18 178.624 178.624 178.122 0.502 25663 8921 1 18 . 1 1 18 18 GLU CA C 18 58.432 58.432 58.558 -0.126 25663 8922 1 18 . 1 1 18 18 GLU CB C 18 30.814 30.814 29.531 1.283 25663 8923 1 18 . 1 1 18 18 GLU H H 18 7.327 7.327 7.651 -0.324 25663 8924 1 18 . 1 1 19 19 ALA N N 19 124.629 124.629 122.814 1.815 25663 8925 1 18 . 1 1 19 19 ALA HA H 19 3.871 3.871 4.006 -0.135 25663 8926 1 18 . 1 1 19 19 ALA C C 19 177.371 177.371 179.381 -2.010 25663 8927 1 18 . 1 1 19 19 ALA CA C 19 54.955 54.955 55.138 -0.183 25663 8928 1 18 . 1 1 19 19 ALA CB C 19 19.893 19.893 18.488 1.405 25663 8929 1 18 . 1 1 19 19 ALA H H 19 8.744 8.744 7.816 0.928 25663 8930 1 18 . 1 1 20 20 LYS N N 20 117.842 117.842 118.100 -0.258 25663 8931 1 18 . 1 1 20 20 LYS HA H 20 3.435 3.435 4.149 -0.714 25663 8932 1 18 . 1 1 20 20 LYS C C 20 178.017 178.017 178.282 -0.265 25663 8933 1 18 . 1 1 20 20 LYS CA C 20 60.086 60.086 58.996 1.089 25663 8934 1 18 . 1 1 20 20 LYS CB C 20 33.186 33.186 32.171 1.015 25663 8935 1 18 . 1 1 20 20 LYS H H 20 8.188 8.188 7.639 0.549 25663 8936 1 18 . 1 1 21 21 ALA N N 21 117.564 117.564 121.918 -4.354 25663 8937 1 18 . 1 1 21 21 ALA HA H 21 4.040 4.040 4.104 -0.064 25663 8938 1 18 . 1 1 21 21 ALA C C 21 180.598 180.598 179.062 1.536 25663 8939 1 18 . 1 1 21 21 ALA CA C 21 54.991 54.991 54.680 0.311 25663 8940 1 18 . 1 1 21 21 ALA CB C 21 18.071 18.071 18.321 -0.250 25663 8941 1 18 . 1 1 21 21 ALA H H 21 7.382 7.382 7.132 0.250 25663 8942 1 18 . 1 1 22 22 VAL N N 22 120.351 120.351 116.875 3.476 25663 8943 1 18 . 1 1 22 22 VAL HA H 22 3.883 3.883 3.910 -0.027 25663 8944 1 18 . 1 1 22 22 VAL C C 22 177.921 177.921 175.866 2.055 25663 8945 1 18 . 1 1 22 22 VAL CA C 22 66.242 66.242 65.238 1.004 25663 8946 1 18 . 1 1 22 22 VAL CB C 22 31.136 31.136 32.664 -1.528 25663 8947 1 18 . 1 1 22 22 VAL H H 22 8.203 8.203 7.407 0.796 25663 8948 1 18 . 1 1 23 23 CYS N N 23 116.368 116.368 115.083 1.285 25663 8949 1 18 . 1 1 23 23 CYS HA H 23 4.352 4.352 4.739 -0.387 25663 8950 1 18 . 1 1 23 23 CYS C C 23 178.687 178.687 174.941 3.746 25663 8951 1 18 . 1 1 23 23 CYS CA C 23 55.224 55.224 57.761 -2.537 25663 8952 1 18 . 1 1 23 23 CYS CB C 23 33.542 33.542 28.750 4.792 25663 8953 1 18 . 1 1 23 23 CYS H H 23 7.788 7.788 7.932 -0.144 25663 8954 1 18 . 1 1 24 24 GLU N N 24 120.341 120.341 122.345 -2.004 25663 8955 1 18 . 1 1 24 24 GLU HA H 24 4.259 4.259 4.088 0.171 25663 8956 1 18 . 1 1 24 24 GLU C C 24 180.516 180.516 177.188 3.328 25663 8957 1 18 . 1 1 24 24 GLU CA C 24 58.412 58.412 58.845 -0.433 25663 8958 1 18 . 1 1 24 24 GLU CB C 24 28.855 28.855 28.858 -0.003 25663 8959 1 18 . 1 1 24 24 GLU H H 24 8.196 8.196 9.022 -0.826 25663 8960 1 18 . 1 1 25 25 PHE N N 25 124.937 124.937 120.577 4.360 25663 8961 1 18 . 1 1 25 25 PHE HA H 25 4.267 4.267 4.274 -0.007 25663 8962 1 18 . 1 1 25 25 PHE C C 25 177.593 177.593 176.055 1.538 25663 8963 1 18 . 1 1 25 25 PHE CA C 25 60.845 60.845 60.741 0.104 25663 8964 1 18 . 1 1 25 25 PHE CB C 25 39.035 39.035 39.570 -0.535 25663 8965 1 18 . 1 1 25 25 PHE H H 25 8.946 8.946 7.876 1.070 25663 8966 1 18 . 1 1 26 26 GLU N N 26 114.486 114.486 118.120 -3.634 25663 8967 1 18 . 1 1 26 26 GLU HA H 26 4.090 4.090 4.221 -0.131 25663 8968 1 18 . 1 1 26 26 GLU C C 26 175.712 175.712 177.378 -1.666 25663 8969 1 18 . 1 1 26 26 GLU CA C 26 56.249 56.249 56.236 0.013 25663 8970 1 18 . 1 1 26 26 GLU CB C 26 29.418 29.418 29.082 0.336 25663 8971 1 18 . 1 1 26 26 GLU H H 26 7.359 7.359 8.441 -1.082 25663 8972 1 18 . 1 1 27 27 GLY N N 27 106.503 106.503 108.367 -1.864 25663 8973 1 18 . 1 1 27 27 GLY C C 27 174.107 174.107 174.970 -0.863 25663 8974 1 18 . 1 1 27 27 GLY CA C 27 45.426 45.426 45.358 0.068 25663 8975 1 18 . 1 1 27 27 GLY H H 27 7.695 7.695 7.863 -0.168 25663 8976 1 18 . 1 1 28 28 GLY N N 28 109.515 109.515 110.183 -0.668 25663 8977 1 18 . 1 1 28 28 GLY C C 28 172.079 172.079 173.540 -1.461 25663 8978 1 18 . 1 1 28 28 GLY CA C 28 43.788 43.788 45.419 -1.631 25663 8979 1 18 . 1 1 28 28 GLY H H 28 7.745 7.745 8.054 -0.309 25663 8980 1 18 . 1 1 29 29 HIS N N 29 116.220 116.220 115.731 0.489 25663 8981 1 18 . 1 1 29 29 HIS HA H 29 4.865 4.865 4.623 0.242 25663 8982 1 18 . 1 1 29 29 HIS C C 29 174.118 174.118 173.696 0.422 25663 8983 1 18 . 1 1 29 29 HIS CA C 29 54.169 54.169 55.691 -1.522 25663 8984 1 18 . 1 1 29 29 HIS CB C 29 33.436 33.436 33.607 -0.171 25663 8985 1 18 . 1 1 29 29 HIS H H 29 8.412 8.412 8.100 0.312 25663 8986 1 18 . 1 1 30 30 LEU N N 30 124.046 124.046 123.352 0.694 25663 8987 1 18 . 1 1 30 30 LEU HA H 30 4.912 4.912 4.525 0.387 25663 8988 1 18 . 1 1 30 30 LEU C C 30 178.158 178.158 176.778 1.380 25663 8989 1 18 . 1 1 30 30 LEU CA C 30 56.817 56.817 54.404 2.413 25663 8990 1 18 . 1 1 30 30 LEU CB C 30 42.534 42.534 42.855 -0.321 25663 8991 1 18 . 1 1 30 30 LEU H H 30 9.399 9.399 7.939 1.460 25663 8992 1 18 . 1 1 31 31 ALA N N 31 126.730 126.730 125.829 0.901 25663 8993 1 18 . 1 1 31 31 ALA HA H 31 4.403 4.403 4.346 0.057 25663 8994 1 18 . 1 1 31 31 ALA C C 31 176.879 176.879 177.151 -0.272 25663 8995 1 18 . 1 1 31 31 ALA CA C 31 52.006 52.006 52.830 -0.824 25663 8996 1 18 . 1 1 31 31 ALA CB C 31 19.593 19.593 19.459 0.134 25663 8997 1 18 . 1 1 31 31 ALA H H 31 9.331 9.331 8.271 1.060 25663 8998 1 18 . 1 1 32 32 THR N N 32 111.206 111.206 116.836 -5.630 25663 8999 1 18 . 1 1 32 32 THR HA H 32 4.528 4.528 4.599 -0.071 25663 9000 1 18 . 1 1 32 32 THR C C 32 174.899 174.899 174.762 0.137 25663 9001 1 18 . 1 1 32 32 THR CA C 32 59.818 59.818 59.493 0.325 25663 9002 1 18 . 1 1 32 32 THR CB C 32 70.949 70.949 71.571 -0.622 25663 9003 1 18 . 1 1 32 32 THR H H 32 8.511 8.511 7.765 0.746 25663 9004 1 18 . 1 1 33 33 TYR N N 33 121.971 121.971 123.532 -1.561 25663 9005 1 18 . 1 1 33 33 TYR HA H 33 3.745 3.745 4.107 -0.362 25663 9006 1 18 . 1 1 33 33 TYR C C 33 176.176 176.176 176.456 -0.280 25663 9007 1 18 . 1 1 33 33 TYR CA C 33 62.320 62.320 62.091 0.229 25663 9008 1 18 . 1 1 33 33 TYR CB C 33 38.737 38.737 38.633 0.104 25663 9009 1 18 . 1 1 33 33 TYR H H 33 8.623 8.623 9.101 -0.478 25663 9010 1 18 . 1 1 34 34 LYS N N 34 116.509 116.509 119.108 -2.599 25663 9011 1 18 . 1 1 34 34 LYS HA H 34 3.905 3.905 4.027 -0.122 25663 9012 1 18 . 1 1 34 34 LYS C C 34 180.207 180.207 178.681 1.526 25663 9013 1 18 . 1 1 34 34 LYS CA C 34 59.854 59.854 59.510 0.344 25663 9014 1 18 . 1 1 34 34 LYS CB C 34 32.743 32.743 32.194 0.549 25663 9015 1 18 . 1 1 34 34 LYS H H 34 8.284 8.284 7.541 0.743 25663 9016 1 18 . 1 1 35 35 GLN N N 35 119.270 119.270 118.494 0.776 25663 9017 1 18 . 1 1 35 35 GLN HA H 35 3.822 3.822 3.993 -0.171 25663 9018 1 18 . 1 1 35 35 GLN C C 35 179.050 179.050 178.715 0.335 25663 9019 1 18 . 1 1 35 35 GLN CA C 35 58.402 58.402 58.465 -0.063 25663 9020 1 18 . 1 1 35 35 GLN CB C 35 26.715 26.715 28.479 -1.764 25663 9021 1 18 . 1 1 35 35 GLN H H 35 7.747 7.747 7.750 -0.003 25663 9022 1 18 . 1 1 36 36 LEU N N 36 122.992 122.992 119.587 3.405 25663 9023 1 18 . 1 1 36 36 LEU HA H 36 3.891 3.891 3.807 0.084 25663 9024 1 18 . 1 1 36 36 LEU C C 36 177.812 177.812 178.466 -0.654 25663 9025 1 18 . 1 1 36 36 LEU CA C 36 58.166 58.166 57.728 0.438 25663 9026 1 18 . 1 1 36 36 LEU CB C 36 41.981 41.981 41.599 0.382 25663 9027 1 18 . 1 1 36 36 LEU H H 36 8.473 8.473 8.834 -0.361 25663 9028 1 18 . 1 1 37 37 GLU N N 37 120.512 120.512 118.892 1.620 25663 9029 1 18 . 1 1 37 37 GLU HA H 37 4.244 4.244 3.781 0.463 25663 9030 1 18 . 1 1 37 37 GLU C C 37 177.984 177.984 177.923 0.061 25663 9031 1 18 . 1 1 37 37 GLU CA C 37 58.018 58.018 58.993 -0.975 25663 9032 1 18 . 1 1 37 37 GLU CB C 37 28.236 28.236 28.988 -0.752 25663 9033 1 18 . 1 1 37 37 GLU H H 37 8.526 8.526 7.636 0.890 25663 9034 1 18 . 1 1 38 38 ALA N N 38 121.256 121.256 120.572 0.684 25663 9035 1 18 . 1 1 38 38 ALA HA H 38 3.995 3.995 4.226 -0.231 25663 9036 1 18 . 1 1 38 38 ALA C C 38 180.513 180.513 178.501 2.012 25663 9037 1 18 . 1 1 38 38 ALA CA C 38 54.968 54.968 53.881 1.087 25663 9038 1 18 . 1 1 38 38 ALA CB C 38 17.792 17.792 18.243 -0.451 25663 9039 1 18 . 1 1 38 38 ALA H H 38 7.806 7.806 7.430 0.376 25663 9040 1 18 . 1 1 39 39 ALA N N 39 120.185 120.185 121.898 -1.713 25663 9041 1 18 . 1 1 39 39 ALA HA H 39 4.164 4.164 4.065 0.099 25663 9042 1 18 . 1 1 39 39 ALA C C 39 180.063 180.063 179.928 0.135 25663 9043 1 18 . 1 1 39 39 ALA CA C 39 54.064 54.064 54.226 -0.162 25663 9044 1 18 . 1 1 39 39 ALA CB C 39 17.883 17.883 18.770 -0.887 25663 9045 1 18 . 1 1 39 39 ALA H H 39 7.495 7.495 7.453 0.042 25663 9046 1 18 . 1 1 40 40 ARG N N 40 124.604 124.604 118.061 6.543 25663 9047 1 18 . 1 1 40 40 ARG HA H 40 4.658 4.658 4.206 0.452 25663 9048 1 18 . 1 1 40 40 ARG C C 40 180.610 180.610 178.783 1.827 25663 9049 1 18 . 1 1 40 40 ARG CA C 40 58.559 58.559 58.370 0.189 25663 9050 1 18 . 1 1 40 40 ARG CB C 40 30.707 30.707 29.648 1.059 25663 9051 1 18 . 1 1 40 40 ARG H H 40 8.789 8.789 8.013 0.776 25663 9052 1 18 . 1 1 41 41 LYS N N 41 117.810 117.810 118.555 -0.745 25663 9053 1 18 . 1 1 41 41 LYS HA H 41 3.925 3.925 4.193 -0.268 25663 9054 1 18 . 1 1 41 41 LYS C C 41 178.134 178.134 177.531 0.603 25663 9055 1 18 . 1 1 41 41 LYS CA C 41 59.409 59.409 58.010 1.399 25663 9056 1 18 . 1 1 41 41 LYS CB C 41 32.786 32.786 31.888 0.898 25663 9057 1 18 . 1 1 41 41 LYS H H 41 8.267 8.267 7.630 0.637 25663 9058 1 18 . 1 1 42 42 ILE N N 42 110.889 110.889 117.831 -6.942 25663 9059 1 18 . 1 1 42 42 ILE HA H 42 4.581 4.581 4.276 0.305 25663 9060 1 18 . 1 1 42 42 ILE C C 42 176.527 176.527 176.251 0.276 25663 9061 1 18 . 1 1 42 42 ILE CA C 42 60.751 60.751 61.197 -0.446 25663 9062 1 18 . 1 1 42 42 ILE CB C 42 37.739 37.739 37.822 -0.083 25663 9063 1 18 . 1 1 42 42 ILE H H 42 7.263 7.263 8.099 -0.836 25663 9064 1 18 . 1 1 43 43 GLY N N 43 108.366 108.366 108.435 -0.069 25663 9065 1 18 . 1 1 43 43 GLY C C 43 173.880 173.880 174.774 -0.894 25663 9066 1 18 . 1 1 43 43 GLY CA C 43 45.585 45.585 45.115 0.470 25663 9067 1 18 . 1 1 43 43 GLY H H 43 7.816 7.816 7.806 0.010 25663 9068 1 18 . 1 1 44 44 PHE N N 44 125.650 125.650 122.293 3.357 25663 9069 1 18 . 1 1 44 44 PHE HA H 44 4.510 4.510 4.425 0.085 25663 9070 1 18 . 1 1 44 44 PHE C C 44 171.183 171.183 174.316 -3.133 25663 9071 1 18 . 1 1 44 44 PHE CA C 44 59.012 59.012 58.516 0.496 25663 9072 1 18 . 1 1 44 44 PHE CB C 44 39.986 39.986 40.072 -0.086 25663 9073 1 18 . 1 1 44 44 PHE H H 44 8.003 8.003 7.747 0.256 25663 9074 1 18 . 1 1 45 45 HIS N N 45 126.999 126.999 124.946 2.053 25663 9075 1 18 . 1 1 45 45 HIS HA H 45 4.728 4.728 4.665 0.063 25663 9076 1 18 . 1 1 45 45 HIS C C 45 175.134 175.134 173.567 1.567 25663 9077 1 18 . 1 1 45 45 HIS CA C 45 55.539 55.539 55.002 0.537 25663 9078 1 18 . 1 1 45 45 HIS CB C 45 34.586 34.586 30.741 3.845 25663 9079 1 18 . 1 1 45 45 HIS H H 45 7.326 7.326 7.767 -0.441 25663 9080 1 18 . 1 1 46 46 VAL N N 46 126.425 126.425 123.216 3.209 25663 9081 1 18 . 1 1 46 46 VAL HA H 46 3.665 3.665 4.149 -0.484 25663 9082 1 18 . 1 1 46 46 VAL CA C 46 61.647 61.647 60.908 0.739 25663 9083 1 18 . 1 1 46 46 VAL CB C 46 35.141 35.141 33.494 1.647 25663 9084 1 18 . 1 1 46 46 VAL H H 46 8.147 8.147 7.955 0.192 25663 9085 1 18 . 1 1 47 47 CYS N N 47 127.308 127.308 128.680 -1.372 25663 9086 1 18 . 1 1 47 47 CYS HA H 47 4.470 4.470 4.688 -0.218 25663 9087 1 18 . 1 1 47 47 CYS C C 47 172.533 172.533 174.354 -1.821 25663 9088 1 18 . 1 1 47 47 CYS CA C 47 55.259 55.259 58.700 -3.442 25663 9089 1 18 . 1 1 47 47 CYS CB C 47 44.867 44.867 24.703 20.164 25663 9090 1 18 . 1 1 47 47 CYS H H 47 8.675 8.675 8.752 -0.077 25663 9091 1 18 . 1 1 48 48 ALA N N 48 120.376 120.376 127.562 -7.186 25663 9092 1 18 . 1 1 48 48 ALA HA H 48 4.278 4.278 4.556 -0.278 25663 9093 1 18 . 1 1 48 48 ALA C C 48 173.936 173.936 175.033 -1.097 25663 9094 1 18 . 1 1 48 48 ALA CA C 48 51.286 51.286 51.919 -0.633 25663 9095 1 18 . 1 1 48 48 ALA CB C 48 19.831 19.831 22.462 -2.631 25663 9096 1 18 . 1 1 48 48 ALA H H 48 6.500 6.500 7.845 -1.345 25663 9097 1 18 . 1 1 49 49 ALA N N 49 130.715 130.715 124.584 6.131 25663 9098 1 18 . 1 1 49 49 ALA HA H 49 3.834 3.834 5.707 -1.873 25663 9099 1 18 . 1 1 49 49 ALA C C 49 176.061 176.061 177.143 -1.082 25663 9100 1 18 . 1 1 49 49 ALA CA C 49 53.466 53.466 50.514 2.951 25663 9101 1 18 . 1 1 49 49 ALA CB C 49 18.332 18.332 20.849 -2.517 25663 9102 1 18 . 1 1 49 49 ALA H H 49 8.424 8.424 8.449 -0.025 25663 9103 1 18 . 1 1 50 50 GLY N N 50 107.085 107.085 109.437 -2.352 25663 9104 1 18 . 1 1 50 50 GLY C C 50 170.793 170.793 172.000 -1.207 25663 9105 1 18 . 1 1 50 50 GLY CA C 50 43.792 43.792 45.009 -1.217 25663 9106 1 18 . 1 1 50 50 GLY H H 50 8.746 8.746 7.880 0.866 25663 9107 1 18 . 1 1 51 51 TRP N N 51 121.565 121.565 119.449 2.116 25663 9108 1 18 . 1 1 51 51 TRP HA H 51 4.960 4.960 5.289 -0.329 25663 9109 1 18 . 1 1 51 51 TRP C C 51 174.095 174.095 175.650 -1.555 25663 9110 1 18 . 1 1 51 51 TRP CA C 51 58.852 58.852 57.288 1.564 25663 9111 1 18 . 1 1 51 51 TRP CB C 51 32.034 32.034 31.941 0.093 25663 9112 1 18 . 1 1 51 51 TRP H H 51 8.596 8.596 8.466 0.130 25663 9113 1 18 . 1 1 52 52 MET N N 52 118.713 118.713 119.009 -0.296 25663 9114 1 18 . 1 1 52 52 MET HA H 52 4.945 4.945 5.066 -0.121 25663 9115 1 18 . 1 1 52 52 MET C C 52 174.575 174.575 175.099 -0.524 25663 9116 1 18 . 1 1 52 52 MET CA C 52 54.277 54.277 53.489 0.788 25663 9117 1 18 . 1 1 52 52 MET CB C 52 39.146 39.146 37.090 2.056 25663 9118 1 18 . 1 1 52 52 MET H H 52 9.116 9.116 8.982 0.134 25663 9119 1 18 . 1 1 53 53 ALA N N 53 120.116 120.116 121.333 -1.217 25663 9120 1 18 . 1 1 53 53 ALA HA H 53 4.186 4.186 4.229 -0.043 25663 9121 1 18 . 1 1 53 53 ALA C C 53 178.250 178.250 178.661 -0.411 25663 9122 1 18 . 1 1 53 53 ALA CA C 53 53.791 53.791 54.134 -0.343 25663 9123 1 18 . 1 1 53 53 ALA CB C 53 19.462 19.462 18.987 0.475 25663 9124 1 18 . 1 1 53 53 ALA H H 53 8.517 8.517 8.725 -0.208 25663 9125 1 18 . 1 1 54 54 LYS N N 54 112.641 112.641 119.466 -6.825 25663 9126 1 18 . 1 1 54 54 LYS HA H 54 3.857 3.857 3.850 0.007 25663 9127 1 18 . 1 1 54 54 LYS C C 54 175.913 175.913 176.044 -0.131 25663 9128 1 18 . 1 1 54 54 LYS CA C 54 57.608 57.608 57.249 0.359 25663 9129 1 18 . 1 1 54 54 LYS CB C 54 29.796 29.796 30.845 -1.049 25663 9130 1 18 . 1 1 54 54 LYS H H 54 8.866 8.866 9.148 -0.282 25663 9131 1 18 . 1 1 55 55 GLY N N 55 104.227 104.227 105.134 -0.907 25663 9132 1 18 . 1 1 55 55 GLY C C 55 173.820 173.820 174.471 -0.651 25663 9133 1 18 . 1 1 55 55 GLY CA C 55 45.933 45.933 45.462 0.471 25663 9134 1 18 . 1 1 55 55 GLY H H 55 8.239 8.239 8.238 0.001 25663 9135 1 18 . 1 1 56 56 ARG N N 56 122.045 122.045 119.382 2.663 25663 9136 1 18 . 1 1 56 56 ARG HA H 56 4.771 4.771 4.338 0.433 25663 9137 1 18 . 1 1 56 56 ARG C C 56 173.828 173.828 174.528 -0.700 25663 9138 1 18 . 1 1 56 56 ARG CA C 56 55.010 55.010 56.825 -1.815 25663 9139 1 18 . 1 1 56 56 ARG CB C 56 31.939 31.939 31.978 -0.039 25663 9140 1 18 . 1 1 56 56 ARG H H 56 6.825 6.825 7.751 -0.926 25663 9141 1 18 . 1 1 57 57 VAL N N 57 122.581 122.581 120.353 2.228 25663 9142 1 18 . 1 1 57 57 VAL HA H 57 4.632 4.632 5.004 -0.372 25663 9143 1 18 . 1 1 57 57 VAL C C 57 173.775 173.775 173.820 -0.045 25663 9144 1 18 . 1 1 57 57 VAL CA C 57 59.946 59.946 59.191 0.755 25663 9145 1 18 . 1 1 57 57 VAL CB C 57 35.191 35.191 35.282 -0.091 25663 9146 1 18 . 1 1 57 57 VAL H H 57 7.084 7.084 7.592 -0.508 25663 9147 1 18 . 1 1 58 58 GLY N N 58 112.994 112.994 112.270 0.724 25663 9148 1 18 . 1 1 58 58 GLY C C 58 171.431 171.431 171.935 -0.504 25663 9149 1 18 . 1 1 58 58 GLY CA C 58 46.285 46.285 45.720 0.565 25663 9150 1 18 . 1 1 58 58 GLY H H 58 8.112 8.112 8.112 0.000 25663 9151 1 18 . 1 1 59 59 TYR N N 59 111.540 111.540 115.134 -3.594 25663 9152 1 18 . 1 1 59 59 TYR HA H 59 4.337 4.337 5.296 -0.959 25663 9153 1 18 . 1 1 59 59 TYR CA C 59 55.972 55.972 54.491 1.481 25663 9154 1 18 . 1 1 59 59 TYR CB C 59 34.363 34.363 38.435 -4.072 25663 9155 1 18 . 1 1 59 59 TYR H H 59 7.796 7.796 8.411 -0.615 25663 9156 1 18 . 1 1 60 60 PRO HA H 60 4.497 4.497 4.392 0.105 25663 9157 1 18 . 1 1 60 60 PRO CA C 60 62.231 62.231 63.343 -1.112 25663 9158 1 18 . 1 1 60 60 PRO CB C 60 33.314 33.314 32.050 1.264 25663 9159 1 18 . 1 1 61 61 ILE HA H 61 4.444 4.444 4.623 -0.179 25663 9160 1 18 . 1 1 61 61 ILE CA C 61 56.601 56.601 58.163 -1.562 25663 9161 1 18 . 1 1 61 61 ILE CB C 61 38.417 38.417 41.912 -3.495 25663 9162 1 18 . 1 1 62 62 VAL HA H 62 3.935 3.935 3.984 -0.049 25663 9163 1 18 . 1 1 62 62 VAL CA C 62 64.377 64.377 63.662 0.715 25663 9164 1 18 . 1 1 62 62 VAL CB C 62 34.087 34.087 31.983 2.103 25663 9165 1 18 . 1 1 62 62 VAL H H 62 11.229 11.229 7.757 3.472 25663 9166 1 18 . 1 1 63 63 LYS N N 63 122.578 122.578 119.045 3.533 25663 9167 1 18 . 1 1 63 63 LYS HA H 63 4.753 4.753 4.531 0.222 25663 9168 1 18 . 1 1 63 63 LYS CA C 63 52.473 52.473 53.554 -1.081 25663 9169 1 18 . 1 1 63 63 LYS CB C 63 32.983 32.983 34.149 -1.166 25663 9170 1 18 . 1 1 63 63 LYS H H 63 7.501 7.501 7.132 0.369 25663 9171 1 18 . 1 1 64 64 PRO HA H 64 4.362 4.362 4.230 0.132 25663 9172 1 18 . 1 1 64 64 PRO CA C 64 63.124 63.124 63.020 0.104 25663 9173 1 18 . 1 1 64 64 PRO CB C 64 32.121 32.121 32.218 -0.097 25663 9174 1 18 . 1 1 65 65 GLY CA C 65 45.512 45.512 44.028 1.484 25663 9175 1 18 . 1 1 65 65 GLY H H 65 8.377 8.377 8.306 0.071 25663 9176 1 18 . 1 1 66 66 PRO HA H 66 4.010 4.010 4.260 -0.250 25663 9177 1 18 . 1 1 66 66 PRO C C 66 177.072 177.072 178.145 -1.073 25663 9178 1 18 . 1 1 66 66 PRO CA C 66 64.765 64.765 64.510 0.255 25663 9179 1 18 . 1 1 66 66 PRO CB C 66 32.121 32.121 32.270 -0.150 25663 9180 1 18 . 1 1 67 67 ASN N N 67 114.419 114.419 116.812 -2.393 25663 9181 1 18 . 1 1 67 67 ASN HA H 67 4.995 4.995 4.649 0.346 25663 9182 1 18 . 1 1 67 67 ASN C C 67 173.872 173.872 174.813 -0.941 25663 9183 1 18 . 1 1 67 67 ASN CA C 67 52.349 52.349 53.901 -1.552 25663 9184 1 18 . 1 1 67 67 ASN CB C 67 38.955 38.955 38.466 0.489 25663 9185 1 18 . 1 1 67 67 ASN H H 67 8.330 8.330 8.738 -0.408 25663 9186 1 18 . 1 1 68 68 CYS N N 68 118.995 118.995 113.010 5.985 25663 9187 1 18 . 1 1 68 68 CYS HA H 68 5.034 5.034 4.824 0.210 25663 9188 1 18 . 1 1 68 68 CYS CA C 68 54.247 54.247 58.509 -4.262 25663 9189 1 18 . 1 1 68 68 CYS CB C 68 44.260 44.260 29.985 14.275 25663 9190 1 18 . 1 1 68 68 CYS H H 68 7.327 7.327 7.175 0.152 25663 9191 1 18 . 1 1 70 70 PHE HA H 70 4.305 4.305 4.321 -0.016 25663 9192 1 18 . 1 1 70 70 PHE CA C 70 58.889 58.889 58.128 0.761 25663 9193 1 18 . 1 1 70 70 PHE CB C 70 36.557 36.557 38.075 -1.518 25663 9194 1 18 . 1 1 71 71 GLY N N 71 105.368 105.368 107.114 -1.746 25663 9195 1 18 . 1 1 71 71 GLY CA C 71 46.043 46.043 44.011 2.032 25663 9196 1 18 . 1 1 71 71 GLY H H 71 7.339 7.339 6.493 0.846 25663 9197 1 18 . 1 1 72 72 LYS N N 72 120.404 120.404 119.261 1.143 25663 9198 1 18 . 1 1 72 72 LYS HA H 72 4.264 4.264 4.323 -0.059 25663 9199 1 18 . 1 1 72 72 LYS C C 72 175.440 175.440 176.298 -0.858 25663 9200 1 18 . 1 1 72 72 LYS CA C 72 56.413 56.413 56.862 -0.449 25663 9201 1 18 . 1 1 72 72 LYS CB C 72 33.686 33.686 33.248 0.438 25663 9202 1 18 . 1 1 72 72 LYS H H 72 6.946 6.946 8.405 -1.459 25663 9203 1 18 . 1 1 73 73 THR N N 73 110.334 110.334 110.166 0.168 25663 9204 1 18 . 1 1 73 73 THR HA H 73 4.233 4.233 4.415 -0.182 25663 9205 1 18 . 1 1 73 73 THR C C 73 173.774 173.774 174.713 -0.939 25663 9206 1 18 . 1 1 73 73 THR CA C 73 60.879 60.879 60.711 0.168 25663 9207 1 18 . 1 1 73 73 THR CB C 73 70.841 70.841 71.150 -0.309 25663 9208 1 18 . 1 1 73 73 THR H H 73 7.911 7.911 8.076 -0.165 25663 9209 1 18 . 1 1 74 74 GLY N N 74 109.589 109.589 110.348 -0.759 25663 9210 1 18 . 1 1 74 74 GLY C C 74 172.715 172.715 175.098 -2.383 25663 9211 1 18 . 1 1 74 74 GLY CA C 74 43.404 43.404 45.198 -1.794 25663 9212 1 18 . 1 1 74 74 GLY H H 74 7.904 7.904 8.328 -0.424 25663 9213 1 18 . 1 1 75 75 ILE N N 75 120.787 120.787 117.612 3.175 25663 9214 1 18 . 1 1 75 75 ILE HA H 75 4.221 4.221 3.612 0.609 25663 9215 1 18 . 1 1 75 75 ILE C C 75 176.249 176.249 174.193 2.056 25663 9216 1 18 . 1 1 75 75 ILE CA C 75 59.422 59.422 61.981 -2.559 25663 9217 1 18 . 1 1 75 75 ILE CB C 75 36.008 36.008 37.896 -1.888 25663 9218 1 18 . 1 1 75 75 ILE H H 75 8.265 8.265 7.697 0.568 25663 9219 1 18 . 1 1 76 76 ILE N N 76 134.542 134.542 126.233 8.309 25663 9220 1 18 . 1 1 76 76 ILE HA H 76 3.587 3.587 4.061 -0.474 25663 9221 1 18 . 1 1 76 76 ILE C C 76 173.769 173.769 174.503 -0.734 25663 9222 1 18 . 1 1 76 76 ILE CA C 76 59.599 59.599 59.546 0.053 25663 9223 1 18 . 1 1 76 76 ILE CB C 76 33.139 33.139 37.615 -4.476 25663 9224 1 18 . 1 1 76 76 ILE H H 76 8.660 8.660 8.051 0.609 25663 9225 1 18 . 1 1 77 77 ASP N N 77 126.213 126.213 125.797 0.416 25663 9226 1 18 . 1 1 77 77 ASP HA H 77 4.790 4.790 4.485 0.305 25663 9227 1 18 . 1 1 77 77 ASP C C 77 176.390 176.390 174.475 1.915 25663 9228 1 18 . 1 1 77 77 ASP CA C 77 52.927 52.927 53.993 -1.067 25663 9229 1 18 . 1 1 77 77 ASP CB C 77 44.224 44.224 41.165 3.059 25663 9230 1 18 . 1 1 77 77 ASP H H 77 7.925 7.925 8.107 -0.182 25663 9231 1 18 . 1 1 78 78 TYR N N 78 126.424 126.424 123.354 3.070 25663 9232 1 18 . 1 1 78 78 TYR HA H 78 4.780 4.780 4.766 0.014 25663 9233 1 18 . 1 1 78 78 TYR C C 78 177.025 177.025 176.313 0.712 25663 9234 1 18 . 1 1 78 78 TYR CA C 78 54.257 54.257 58.337 -4.080 25663 9235 1 18 . 1 1 78 78 TYR CB C 78 36.513 36.513 40.311 -3.798 25663 9236 1 18 . 1 1 78 78 TYR H H 78 9.313 9.313 8.649 0.664 25663 9237 1 18 . 1 1 79 79 GLY N N 79 110.776 110.776 107.096 3.680 25663 9238 1 18 . 1 1 79 79 GLY C C 79 172.389 172.389 172.365 0.024 25663 9239 1 18 . 1 1 79 79 GLY CA C 79 44.317 44.317 44.957 -0.640 25663 9240 1 18 . 1 1 79 79 GLY H H 79 8.880 8.880 8.060 0.820 25663 9241 1 18 . 1 1 80 80 ILE N N 80 117.437 117.437 122.242 -4.805 25663 9242 1 18 . 1 1 80 80 ILE HA H 80 3.897 3.897 4.332 -0.435 25663 9243 1 18 . 1 1 80 80 ILE C C 80 177.495 177.495 175.912 1.583 25663 9244 1 18 . 1 1 80 80 ILE CA C 80 61.293 61.293 60.588 0.705 25663 9245 1 18 . 1 1 80 80 ILE CB C 80 36.412 36.412 39.105 -2.693 25663 9246 1 18 . 1 1 80 80 ILE H H 80 8.189 8.189 8.259 -0.070 25663 9247 1 18 . 1 1 81 81 ARG N N 81 128.585 128.585 127.153 1.432 25663 9248 1 18 . 1 1 81 81 ARG HA H 81 4.367 4.367 4.428 -0.061 25663 9249 1 18 . 1 1 81 81 ARG CA C 81 52.745 52.745 55.001 -2.256 25663 9250 1 18 . 1 1 81 81 ARG CB C 81 27.133 27.133 30.626 -3.493 25663 9251 1 18 . 1 1 81 81 ARG H H 81 8.367 8.367 8.549 -0.182 25663 9252 1 18 . 1 1 82 82 LEU HA H 82 4.145 4.145 4.568 -0.423 25663 9253 1 18 . 1 1 82 82 LEU C C 82 177.546 177.546 177.107 0.439 25663 9254 1 18 . 1 1 82 82 LEU CA C 82 56.857 56.857 55.778 1.079 25663 9255 1 18 . 1 1 82 82 LEU CB C 82 42.266 42.266 41.836 0.430 25663 9256 1 18 . 1 1 82 82 LEU H H 82 8.226 8.226 8.440 -0.214 25663 9257 1 18 . 1 1 83 83 ASN N N 83 115.779 115.779 116.442 -0.663 25663 9258 1 18 . 1 1 83 83 ASN HA H 83 4.913 4.913 4.733 0.180 25663 9259 1 18 . 1 1 83 83 ASN C C 83 175.764 175.764 176.489 -0.725 25663 9260 1 18 . 1 1 83 83 ASN CA C 83 51.627 51.627 52.776 -1.149 25663 9261 1 18 . 1 1 83 83 ASN CB C 83 37.505 37.505 37.938 -0.433 25663 9262 1 18 . 1 1 83 83 ASN H H 83 8.628 8.628 8.281 0.347 25663 9263 1 18 . 1 1 84 84 ARG N N 84 121.554 121.554 118.669 2.885 25663 9264 1 18 . 1 1 84 84 ARG HA H 84 4.637 4.637 4.095 0.542 25663 9265 1 18 . 1 1 84 84 ARG C C 84 177.197 177.197 176.930 0.267 25663 9266 1 18 . 1 1 84 84 ARG CA C 84 56.695 56.695 58.165 -1.470 25663 9267 1 18 . 1 1 84 84 ARG CB C 84 29.361 29.361 29.579 -0.218 25663 9268 1 18 . 1 1 84 84 ARG H H 84 8.593 8.593 8.514 0.079 25663 9269 1 18 . 1 1 85 85 SER N N 85 116.623 116.623 111.938 4.685 25663 9270 1 18 . 1 1 85 85 SER HA H 85 4.628 4.628 4.472 0.156 25663 9271 1 18 . 1 1 85 85 SER C C 85 174.403 174.403 175.192 -0.789 25663 9272 1 18 . 1 1 85 85 SER CA C 85 58.827 58.827 59.098 -0.271 25663 9273 1 18 . 1 1 85 85 SER CB C 85 62.996 62.996 63.967 -0.971 25663 9274 1 18 . 1 1 85 85 SER H H 85 8.567 8.567 8.104 0.463 25663 9275 1 18 . 1 1 86 86 GLU N N 86 121.171 121.171 122.995 -1.824 25663 9276 1 18 . 1 1 86 86 GLU HA H 86 3.864 3.864 4.331 -0.467 25663 9277 1 18 . 1 1 86 86 GLU C C 86 174.422 174.422 175.464 -1.042 25663 9278 1 18 . 1 1 86 86 GLU CA C 86 57.520 57.520 56.600 0.920 25663 9279 1 18 . 1 1 86 86 GLU CB C 86 31.292 31.292 30.774 0.518 25663 9280 1 18 . 1 1 86 86 GLU H H 86 7.219 7.219 8.332 -1.113 25663 9281 1 18 . 1 1 87 87 ARG N N 87 118.124 118.124 118.491 -0.367 25663 9282 1 18 . 1 1 87 87 ARG HA H 87 4.687 4.687 4.858 -0.171 25663 9283 1 18 . 1 1 87 87 ARG C C 87 173.408 173.408 174.650 -1.242 25663 9284 1 18 . 1 1 87 87 ARG CA C 87 54.387 54.387 55.572 -1.185 25663 9285 1 18 . 1 1 87 87 ARG CB C 87 31.544 31.544 33.504 -1.960 25663 9286 1 18 . 1 1 87 87 ARG H H 87 7.263 7.263 8.315 -1.052 25663 9287 1 18 . 1 1 88 88 TRP N N 88 121.383 121.383 120.420 0.963 25663 9288 1 18 . 1 1 88 88 TRP HA H 88 4.899 4.899 4.995 -0.096 25663 9289 1 18 . 1 1 88 88 TRP CA C 88 54.508 54.508 57.434 -2.926 25663 9290 1 18 . 1 1 88 88 TRP CB C 88 33.610 33.610 31.971 1.639 25663 9291 1 18 . 1 1 88 88 TRP H H 88 8.811 8.811 8.952 -0.141 25663 9292 1 18 . 1 1 89 89 ASP N N 89 119.285 119.285 119.824 -0.539 25663 9293 1 18 . 1 1 89 89 ASP HA H 89 5.602 5.602 4.687 0.915 25663 9294 1 18 . 1 1 89 89 ASP C C 89 173.648 173.648 175.146 -1.498 25663 9295 1 18 . 1 1 89 89 ASP CA C 89 54.558 54.558 54.986 -0.428 25663 9296 1 18 . 1 1 89 89 ASP CB C 89 40.438 40.438 42.373 -1.935 25663 9297 1 18 . 1 1 89 89 ASP H H 89 8.552 8.552 8.777 -0.225 25663 9298 1 18 . 1 1 90 90 ALA N N 90 121.014 121.014 119.168 1.846 25663 9299 1 18 . 1 1 90 90 ALA HA H 90 5.095 5.095 4.808 0.287 25663 9300 1 18 . 1 1 90 90 ALA C C 90 175.076 175.076 175.054 0.022 25663 9301 1 18 . 1 1 90 90 ALA CA C 90 52.089 52.089 51.584 0.505 25663 9302 1 18 . 1 1 90 90 ALA CB C 90 23.118 23.118 22.037 1.081 25663 9303 1 18 . 1 1 90 90 ALA H H 90 8.449 8.449 8.120 0.329 25663 9304 1 18 . 1 1 91 91 TYR N N 91 118.243 118.243 118.304 -0.061 25663 9305 1 18 . 1 1 91 91 TYR HA H 91 5.072 5.072 4.972 0.100 25663 9306 1 18 . 1 1 91 91 TYR C C 91 174.671 174.671 175.106 -0.435 25663 9307 1 18 . 1 1 91 91 TYR CA C 91 58.787 58.787 57.854 0.933 25663 9308 1 18 . 1 1 91 91 TYR CB C 91 40.686 40.686 42.149 -1.463 25663 9309 1 18 . 1 1 91 91 TYR H H 91 8.421 8.421 8.254 0.167 25663 9310 1 18 . 1 1 92 92 CYS N N 92 119.931 119.931 118.015 1.916 25663 9311 1 18 . 1 1 92 92 CYS HA H 92 5.263 5.263 5.106 0.157 25663 9312 1 18 . 1 1 92 92 CYS C C 92 172.698 172.698 173.081 -0.383 25663 9313 1 18 . 1 1 92 92 CYS CA C 92 50.601 50.601 58.237 -7.636 25663 9314 1 18 . 1 1 92 92 CYS CB C 92 37.818 37.818 32.255 5.563 25663 9315 1 18 . 1 1 92 92 CYS H H 92 8.459 8.459 8.678 -0.219 25663 9316 1 18 . 1 1 93 93 TYR N N 93 120.805 120.805 120.689 0.116 25663 9317 1 18 . 1 1 93 93 TYR HA H 93 4.903 4.903 4.751 0.152 25663 9318 1 18 . 1 1 93 93 TYR C C 93 173.902 173.902 172.613 1.289 25663 9319 1 18 . 1 1 93 93 TYR CA C 93 57.096 57.096 58.179 -1.083 25663 9320 1 18 . 1 1 93 93 TYR CB C 93 41.665 41.665 41.608 0.057 25663 9321 1 18 . 1 1 93 93 TYR H H 93 9.410 9.410 8.526 0.884 25663 9322 1 18 . 1 1 94 94 ASN N N 94 124.511 124.511 123.272 1.239 25663 9323 1 18 . 1 1 94 94 ASN HA H 94 4.774 4.774 5.095 -0.321 25663 9324 1 18 . 1 1 94 94 ASN CA C 94 49.599 49.599 51.331 -1.732 25663 9325 1 18 . 1 1 94 94 ASN CB C 94 41.642 41.642 42.130 -0.488 25663 9326 1 18 . 1 1 94 94 ASN H H 94 7.832 7.832 7.612 0.220 25663 9327 1 18 . 1 1 95 95 PRO HA H 95 4.141 4.141 4.247 -0.106 25663 9328 1 18 . 1 1 95 95 PRO C C 95 176.345 176.345 175.124 1.221 25663 9329 1 18 . 1 1 95 95 PRO CA C 95 63.800 63.800 63.838 -0.038 25663 9330 1 18 . 1 1 95 95 PRO CB C 95 32.046 32.046 31.342 0.704 25663 9331 1 18 . 1 1 96 96 HIS N N 96 116.009 116.009 114.652 1.357 25663 9332 1 18 . 1 1 96 96 HIS HA H 96 4.623 4.623 4.682 -0.059 25663 9333 1 18 . 1 1 96 96 HIS C C 96 173.999 173.999 174.940 -0.941 25663 9334 1 18 . 1 1 96 96 HIS CA C 96 55.046 55.046 54.799 0.247 25663 9335 1 18 . 1 1 96 96 HIS CB C 96 28.821 28.821 29.102 -0.281 25663 9336 1 18 . 1 1 96 96 HIS H H 96 8.354 8.354 7.400 0.954 25663 9337 1 18 . 1 1 97 97 ALA N N 97 123.775 123.775 123.727 0.048 25663 9338 1 18 . 1 1 97 97 ALA HA H 97 4.269 4.269 4.110 0.159 25663 9339 1 18 . 1 1 97 97 ALA C C 97 176.350 176.350 176.971 -0.621 25663 9340 1 18 . 1 1 97 97 ALA CA C 97 51.796 51.796 54.091 -2.295 25663 9341 1 18 . 1 1 97 97 ALA CB C 97 19.648 19.648 19.672 -0.024 25663 9342 1 18 . 1 1 97 97 ALA H H 97 7.387 7.387 7.684 -0.297 25663 9343 1 19 . 1 1 2 2 VAL N N 2 122.742 122.742 114.302 8.440 25663 9344 1 19 . 1 1 2 2 VAL HA H 2 5.257 5.257 4.592 0.665 25663 9345 1 19 . 1 1 2 2 VAL C C 2 174.533 174.533 173.417 1.116 25663 9346 1 19 . 1 1 2 2 VAL CA C 2 60.536 60.536 59.618 0.918 25663 9347 1 19 . 1 1 2 2 VAL CB C 2 33.278 33.278 34.195 -0.917 25663 9348 1 19 . 1 1 2 2 VAL H H 2 8.486 8.486 7.408 1.078 25663 9349 1 19 . 1 1 3 3 TYR N N 3 120.172 120.172 126.262 -6.090 25663 9350 1 19 . 1 1 3 3 TYR HA H 3 4.964 4.964 4.868 0.096 25663 9351 1 19 . 1 1 3 3 TYR C C 3 173.399 173.399 174.196 -0.797 25663 9352 1 19 . 1 1 3 3 TYR CA C 3 56.073 56.073 56.792 -0.719 25663 9353 1 19 . 1 1 3 3 TYR CB C 3 40.278 40.278 41.855 -1.577 25663 9354 1 19 . 1 1 3 3 TYR H H 3 8.715 8.715 8.810 -0.095 25663 9355 1 19 . 1 1 4 4 HIS N N 4 121.237 121.237 124.149 -2.912 25663 9356 1 19 . 1 1 4 4 HIS HA H 4 4.929 4.929 4.763 0.166 25663 9357 1 19 . 1 1 4 4 HIS C C 4 172.844 172.844 174.448 -1.604 25663 9358 1 19 . 1 1 4 4 HIS CA C 4 54.154 54.154 55.004 -0.850 25663 9359 1 19 . 1 1 4 4 HIS CB C 4 30.961 30.961 31.148 -0.187 25663 9360 1 19 . 1 1 4 4 HIS H H 4 9.414 9.414 7.944 1.470 25663 9361 1 19 . 1 1 5 5 ARG N N 5 128.770 128.770 120.911 7.859 25663 9362 1 19 . 1 1 5 5 ARG HA H 5 4.619 4.619 4.719 -0.100 25663 9363 1 19 . 1 1 5 5 ARG C C 5 172.967 172.967 174.089 -1.122 25663 9364 1 19 . 1 1 5 5 ARG CA C 5 53.177 53.177 55.500 -2.323 25663 9365 1 19 . 1 1 5 5 ARG CB C 5 33.832 33.832 33.955 -0.122 25663 9366 1 19 . 1 1 5 5 ARG H H 5 8.805 8.805 8.302 0.503 25663 9367 1 19 . 1 1 6 6 GLU N N 6 121.037 121.037 120.298 0.739 25663 9368 1 19 . 1 1 6 6 GLU HA H 6 4.490 4.490 4.512 -0.022 25663 9369 1 19 . 1 1 6 6 GLU C C 6 176.264 176.264 174.619 1.645 25663 9370 1 19 . 1 1 6 6 GLU CA C 6 53.336 53.336 54.608 -1.272 25663 9371 1 19 . 1 1 6 6 GLU CB C 6 33.133 33.133 32.943 0.190 25663 9372 1 19 . 1 1 6 6 GLU H H 6 8.232 8.232 8.550 -0.318 25663 9373 1 19 . 1 1 7 7 ALA N N 7 123.438 123.438 124.233 -0.795 25663 9374 1 19 . 1 1 7 7 ALA HA H 7 4.215 4.215 4.237 -0.022 25663 9375 1 19 . 1 1 7 7 ALA C C 7 178.419 178.419 178.673 -0.254 25663 9376 1 19 . 1 1 7 7 ALA CA C 7 52.182 52.182 53.193 -1.011 25663 9377 1 19 . 1 1 7 7 ALA CB C 7 20.128 20.128 19.394 0.734 25663 9378 1 19 . 1 1 7 7 ALA H H 7 8.756 8.756 8.542 0.214 25663 9379 1 19 . 1 1 8 8 ARG N N 8 122.559 122.559 122.537 0.022 25663 9380 1 19 . 1 1 8 8 ARG HA H 8 3.998 3.998 4.109 -0.111 25663 9381 1 19 . 1 1 8 8 ARG C C 8 177.448 177.448 176.646 0.802 25663 9382 1 19 . 1 1 8 8 ARG CA C 8 58.660 58.660 58.026 0.634 25663 9383 1 19 . 1 1 8 8 ARG CB C 8 29.406 29.406 30.312 -0.906 25663 9384 1 19 . 1 1 8 8 ARG H H 8 8.945 8.945 8.866 0.079 25663 9385 1 19 . 1 1 9 9 SER N N 9 107.309 107.309 111.624 -4.315 25663 9386 1 19 . 1 1 9 9 SER HA H 9 4.261 4.261 4.597 -0.336 25663 9387 1 19 . 1 1 9 9 SER C C 9 174.411 174.411 174.140 0.271 25663 9388 1 19 . 1 1 9 9 SER CA C 9 58.081 58.081 57.221 0.860 25663 9389 1 19 . 1 1 9 9 SER CB C 9 62.972 62.972 63.968 -0.996 25663 9390 1 19 . 1 1 9 9 SER H H 9 7.445 7.445 8.082 -0.637 25663 9391 1 19 . 1 1 10 10 GLY N N 10 109.574 109.574 109.171 0.403 25663 9392 1 19 . 1 1 10 10 GLY C C 10 171.580 171.580 173.135 -1.555 25663 9393 1 19 . 1 1 10 10 GLY CA C 10 44.036 44.036 45.423 -1.387 25663 9394 1 19 . 1 1 10 10 GLY H H 10 7.379 7.379 7.240 0.139 25663 9395 1 19 . 1 1 11 11 LYS N N 11 121.683 121.683 117.217 4.466 25663 9396 1 19 . 1 1 11 11 LYS HA H 11 3.993 3.993 4.185 -0.192 25663 9397 1 19 . 1 1 11 11 LYS C C 11 175.995 175.995 173.819 2.176 25663 9398 1 19 . 1 1 11 11 LYS CA C 11 57.374 57.374 56.609 0.765 25663 9399 1 19 . 1 1 11 11 LYS CB C 11 34.009 34.009 33.940 0.069 25663 9400 1 19 . 1 1 11 11 LYS H H 11 8.040 8.040 8.096 -0.056 25663 9401 1 19 . 1 1 12 12 TYR N N 12 122.956 122.956 118.503 4.453 25663 9402 1 19 . 1 1 12 12 TYR HA H 12 3.990 3.990 4.704 -0.714 25663 9403 1 19 . 1 1 12 12 TYR C C 12 173.905 173.905 174.426 -0.521 25663 9404 1 19 . 1 1 12 12 TYR CA C 12 54.397 54.397 57.593 -3.196 25663 9405 1 19 . 1 1 12 12 TYR CB C 12 32.105 32.105 38.603 -6.498 25663 9406 1 19 . 1 1 12 12 TYR H H 12 9.830 9.830 7.893 1.937 25663 9407 1 19 . 1 1 13 13 LYS N N 13 114.683 114.683 120.631 -5.948 25663 9408 1 19 . 1 1 13 13 LYS HA H 13 4.577 4.577 4.603 -0.026 25663 9409 1 19 . 1 1 13 13 LYS C C 13 176.999 176.999 174.714 2.285 25663 9410 1 19 . 1 1 13 13 LYS CA C 13 55.014 55.014 55.909 -0.895 25663 9411 1 19 . 1 1 13 13 LYS CB C 13 35.021 35.021 32.856 2.165 25663 9412 1 19 . 1 1 13 13 LYS H H 13 8.445 8.445 8.284 0.161 25663 9413 1 19 . 1 1 14 14 LEU N N 14 123.176 123.176 121.219 1.957 25663 9414 1 19 . 1 1 14 14 LEU HA H 14 5.122 5.122 5.161 -0.039 25663 9415 1 19 . 1 1 14 14 LEU C C 14 178.304 178.304 176.409 1.895 25663 9416 1 19 . 1 1 14 14 LEU CA C 14 54.800 54.800 53.741 1.059 25663 9417 1 19 . 1 1 14 14 LEU CB C 14 43.528 43.528 44.448 -0.920 25663 9418 1 19 . 1 1 14 14 LEU H H 14 9.479 9.479 7.672 1.807 25663 9419 1 19 . 1 1 15 15 THR N N 15 116.144 116.144 118.725 -2.581 25663 9420 1 19 . 1 1 15 15 THR HA H 15 5.485 5.485 4.883 0.602 25663 9421 1 19 . 1 1 15 15 THR C C 15 174.697 174.697 174.832 -0.135 25663 9422 1 19 . 1 1 15 15 THR CA C 15 61.722 61.722 60.720 1.002 25663 9423 1 19 . 1 1 15 15 THR CB C 15 70.914 70.914 71.486 -0.572 25663 9424 1 19 . 1 1 15 15 THR H H 15 8.792 8.792 8.398 0.394 25663 9425 1 19 . 1 1 16 16 TYR N N 16 120.594 120.594 124.301 -3.707 25663 9426 1 19 . 1 1 16 16 TYR HA H 16 2.375 2.375 3.912 -1.537 25663 9427 1 19 . 1 1 16 16 TYR C C 16 176.133 176.133 176.722 -0.589 25663 9428 1 19 . 1 1 16 16 TYR CA C 16 61.408 61.408 62.612 -1.204 25663 9429 1 19 . 1 1 16 16 TYR CB C 16 36.889 36.889 37.805 -0.916 25663 9430 1 19 . 1 1 16 16 TYR H H 16 7.402 7.402 8.467 -1.065 25663 9431 1 19 . 1 1 17 17 ALA N N 17 118.108 118.108 119.709 -1.601 25663 9432 1 19 . 1 1 17 17 ALA HA H 17 3.509 3.509 3.528 -0.019 25663 9433 1 19 . 1 1 17 17 ALA C C 17 181.575 181.575 179.585 1.990 25663 9434 1 19 . 1 1 17 17 ALA CA C 17 54.732 54.732 55.022 -0.290 25663 9435 1 19 . 1 1 17 17 ALA CB C 17 18.124 18.124 17.924 0.200 25663 9436 1 19 . 1 1 17 17 ALA H H 17 8.545 8.545 8.283 0.262 25663 9437 1 19 . 1 1 18 18 GLU N N 18 117.696 117.696 118.793 -1.097 25663 9438 1 19 . 1 1 18 18 GLU HA H 18 3.879 3.879 4.015 -0.136 25663 9439 1 19 . 1 1 18 18 GLU C C 18 178.624 178.624 178.884 -0.260 25663 9440 1 19 . 1 1 18 18 GLU CA C 18 58.432 58.432 59.078 -0.646 25663 9441 1 19 . 1 1 18 18 GLU CB C 18 30.814 30.814 29.453 1.361 25663 9442 1 19 . 1 1 18 18 GLU H H 18 7.327 7.327 8.213 -0.886 25663 9443 1 19 . 1 1 19 19 ALA N N 19 124.629 124.629 121.781 2.848 25663 9444 1 19 . 1 1 19 19 ALA HA H 19 3.871 3.871 3.993 -0.122 25663 9445 1 19 . 1 1 19 19 ALA C C 19 177.371 177.371 179.245 -1.874 25663 9446 1 19 . 1 1 19 19 ALA CA C 19 54.955 54.955 55.410 -0.455 25663 9447 1 19 . 1 1 19 19 ALA CB C 19 19.893 19.893 18.462 1.431 25663 9448 1 19 . 1 1 19 19 ALA H H 19 8.744 8.744 8.720 0.024 25663 9449 1 19 . 1 1 20 20 LYS N N 20 117.842 117.842 117.070 0.772 25663 9450 1 19 . 1 1 20 20 LYS HA H 20 3.435 3.435 4.066 -0.631 25663 9451 1 19 . 1 1 20 20 LYS C C 20 178.017 178.017 177.778 0.239 25663 9452 1 19 . 1 1 20 20 LYS CA C 20 60.086 60.086 58.611 1.475 25663 9453 1 19 . 1 1 20 20 LYS CB C 20 33.186 33.186 32.211 0.975 25663 9454 1 19 . 1 1 20 20 LYS H H 20 8.188 8.188 7.537 0.651 25663 9455 1 19 . 1 1 21 21 ALA N N 21 117.564 117.564 121.740 -4.176 25663 9456 1 19 . 1 1 21 21 ALA HA H 21 4.040 4.040 4.233 -0.193 25663 9457 1 19 . 1 1 21 21 ALA C C 21 180.598 180.598 178.788 1.810 25663 9458 1 19 . 1 1 21 21 ALA CA C 21 54.991 54.991 54.367 0.624 25663 9459 1 19 . 1 1 21 21 ALA CB C 21 18.071 18.071 18.866 -0.795 25663 9460 1 19 . 1 1 21 21 ALA H H 21 7.382 7.382 7.607 -0.225 25663 9461 1 19 . 1 1 22 22 VAL N N 22 120.351 120.351 116.284 4.067 25663 9462 1 19 . 1 1 22 22 VAL HA H 22 3.883 3.883 3.783 0.101 25663 9463 1 19 . 1 1 22 22 VAL C C 22 177.921 177.921 175.841 2.080 25663 9464 1 19 . 1 1 22 22 VAL CA C 22 66.242 66.242 63.957 2.285 25663 9465 1 19 . 1 1 22 22 VAL CB C 22 31.136 31.136 31.999 -0.863 25663 9466 1 19 . 1 1 22 22 VAL H H 22 8.203 8.203 7.526 0.677 25663 9467 1 19 . 1 1 23 23 CYS N N 23 116.368 116.368 115.774 0.594 25663 9468 1 19 . 1 1 23 23 CYS HA H 23 4.352 4.352 4.715 -0.363 25663 9469 1 19 . 1 1 23 23 CYS C C 23 178.687 178.687 173.492 5.195 25663 9470 1 19 . 1 1 23 23 CYS CA C 23 55.224 55.224 57.975 -2.751 25663 9471 1 19 . 1 1 23 23 CYS CB C 23 33.542 33.542 30.270 3.272 25663 9472 1 19 . 1 1 23 23 CYS H H 23 7.788 7.788 7.470 0.318 25663 9473 1 19 . 1 1 24 24 GLU N N 24 120.341 120.341 116.882 3.459 25663 9474 1 19 . 1 1 24 24 GLU HA H 24 4.259 4.259 3.968 0.291 25663 9475 1 19 . 1 1 24 24 GLU C C 24 180.516 180.516 177.745 2.771 25663 9476 1 19 . 1 1 24 24 GLU CA C 24 58.412 58.412 58.749 -0.337 25663 9477 1 19 . 1 1 24 24 GLU CB C 24 28.855 28.855 28.988 -0.133 25663 9478 1 19 . 1 1 24 24 GLU H H 24 8.196 8.196 9.131 -0.935 25663 9479 1 19 . 1 1 25 25 PHE N N 25 124.937 124.937 118.948 5.989 25663 9480 1 19 . 1 1 25 25 PHE HA H 25 4.267 4.267 4.206 0.061 25663 9481 1 19 . 1 1 25 25 PHE C C 25 177.593 177.593 176.385 1.208 25663 9482 1 19 . 1 1 25 25 PHE CA C 25 60.845 60.845 60.910 -0.065 25663 9483 1 19 . 1 1 25 25 PHE CB C 25 39.035 39.035 39.355 -0.320 25663 9484 1 19 . 1 1 25 25 PHE H H 25 8.946 8.946 8.303 0.643 25663 9485 1 19 . 1 1 26 26 GLU N N 26 114.486 114.486 119.051 -4.565 25663 9486 1 19 . 1 1 26 26 GLU HA H 26 4.090 4.090 4.226 -0.136 25663 9487 1 19 . 1 1 26 26 GLU C C 26 175.712 175.712 177.109 -1.397 25663 9488 1 19 . 1 1 26 26 GLU CA C 26 56.249 56.249 56.098 0.151 25663 9489 1 19 . 1 1 26 26 GLU CB C 26 29.418 29.418 28.810 0.608 25663 9490 1 19 . 1 1 26 26 GLU H H 26 7.359 7.359 8.429 -1.070 25663 9491 1 19 . 1 1 27 27 GLY N N 27 106.503 106.503 108.467 -1.964 25663 9492 1 19 . 1 1 27 27 GLY C C 27 174.107 174.107 174.688 -0.581 25663 9493 1 19 . 1 1 27 27 GLY CA C 27 45.426 45.426 44.855 0.571 25663 9494 1 19 . 1 1 27 27 GLY H H 27 7.695 7.695 7.530 0.165 25663 9495 1 19 . 1 1 28 28 GLY N N 28 109.515 109.515 108.783 0.732 25663 9496 1 19 . 1 1 28 28 GLY C C 28 172.079 172.079 173.050 -0.971 25663 9497 1 19 . 1 1 28 28 GLY CA C 28 43.788 43.788 44.356 -0.568 25663 9498 1 19 . 1 1 28 28 GLY H H 28 7.745 7.745 8.016 -0.271 25663 9499 1 19 . 1 1 29 29 HIS N N 29 116.220 116.220 122.049 -5.829 25663 9500 1 19 . 1 1 29 29 HIS HA H 29 4.865 4.865 4.772 0.093 25663 9501 1 19 . 1 1 29 29 HIS C C 29 174.118 174.118 174.929 -0.811 25663 9502 1 19 . 1 1 29 29 HIS CA C 29 54.169 54.169 53.905 0.264 25663 9503 1 19 . 1 1 29 29 HIS CB C 29 33.436 33.436 31.830 1.606 25663 9504 1 19 . 1 1 29 29 HIS H H 29 8.412 8.412 8.181 0.231 25663 9505 1 19 . 1 1 30 30 LEU N N 30 124.046 124.046 120.236 3.810 25663 9506 1 19 . 1 1 30 30 LEU HA H 30 4.912 4.912 4.539 0.373 25663 9507 1 19 . 1 1 30 30 LEU C C 30 178.158 178.158 178.044 0.114 25663 9508 1 19 . 1 1 30 30 LEU CA C 30 56.817 56.817 55.385 1.432 25663 9509 1 19 . 1 1 30 30 LEU CB C 30 42.534 42.534 42.558 -0.024 25663 9510 1 19 . 1 1 30 30 LEU H H 30 9.399 9.399 8.880 0.519 25663 9511 1 19 . 1 1 31 31 ALA N N 31 126.730 126.730 125.125 1.605 25663 9512 1 19 . 1 1 31 31 ALA HA H 31 4.403 4.403 4.162 0.241 25663 9513 1 19 . 1 1 31 31 ALA C C 31 176.879 176.879 177.188 -0.309 25663 9514 1 19 . 1 1 31 31 ALA CA C 31 52.006 52.006 52.419 -0.413 25663 9515 1 19 . 1 1 31 31 ALA CB C 31 19.593 19.593 18.073 1.520 25663 9516 1 19 . 1 1 31 31 ALA H H 31 9.331 9.331 8.354 0.977 25663 9517 1 19 . 1 1 32 32 THR N N 32 111.206 111.206 118.196 -6.990 25663 9518 1 19 . 1 1 32 32 THR HA H 32 4.528 4.528 4.315 0.213 25663 9519 1 19 . 1 1 32 32 THR C C 32 174.899 174.899 175.289 -0.390 25663 9520 1 19 . 1 1 32 32 THR CA C 32 59.818 59.818 60.490 -0.672 25663 9521 1 19 . 1 1 32 32 THR CB C 32 70.949 70.949 70.504 0.445 25663 9522 1 19 . 1 1 32 32 THR H H 32 8.511 8.511 7.852 0.659 25663 9523 1 19 . 1 1 33 33 TYR N N 33 121.971 121.971 123.191 -1.220 25663 9524 1 19 . 1 1 33 33 TYR HA H 33 3.745 3.745 4.048 -0.303 25663 9525 1 19 . 1 1 33 33 TYR C C 33 176.176 176.176 177.034 -0.858 25663 9526 1 19 . 1 1 33 33 TYR CA C 33 62.320 62.320 63.011 -0.691 25663 9527 1 19 . 1 1 33 33 TYR CB C 33 38.737 38.737 38.521 0.216 25663 9528 1 19 . 1 1 33 33 TYR H H 33 8.623 8.623 8.967 -0.344 25663 9529 1 19 . 1 1 34 34 LYS N N 34 116.509 116.509 118.380 -1.871 25663 9530 1 19 . 1 1 34 34 LYS HA H 34 3.905 3.905 3.850 0.055 25663 9531 1 19 . 1 1 34 34 LYS C C 34 180.207 180.207 178.591 1.616 25663 9532 1 19 . 1 1 34 34 LYS CA C 34 59.854 59.854 60.195 -0.341 25663 9533 1 19 . 1 1 34 34 LYS CB C 34 32.743 32.743 32.159 0.584 25663 9534 1 19 . 1 1 34 34 LYS H H 34 8.284 8.284 8.116 0.168 25663 9535 1 19 . 1 1 35 35 GLN N N 35 119.270 119.270 118.325 0.945 25663 9536 1 19 . 1 1 35 35 GLN HA H 35 3.822 3.822 4.005 -0.183 25663 9537 1 19 . 1 1 35 35 GLN C C 35 179.050 179.050 178.891 0.159 25663 9538 1 19 . 1 1 35 35 GLN CA C 35 58.402 58.402 58.589 -0.187 25663 9539 1 19 . 1 1 35 35 GLN CB C 35 26.715 26.715 27.878 -1.163 25663 9540 1 19 . 1 1 35 35 GLN H H 35 7.747 7.747 8.048 -0.301 25663 9541 1 19 . 1 1 36 36 LEU N N 36 122.992 122.992 120.930 2.062 25663 9542 1 19 . 1 1 36 36 LEU HA H 36 3.891 3.891 3.621 0.270 25663 9543 1 19 . 1 1 36 36 LEU C C 36 177.812 177.812 178.583 -0.771 25663 9544 1 19 . 1 1 36 36 LEU CA C 36 58.166 58.166 58.334 -0.168 25663 9545 1 19 . 1 1 36 36 LEU CB C 36 41.981 41.981 41.470 0.511 25663 9546 1 19 . 1 1 36 36 LEU H H 36 8.473 8.473 8.653 -0.180 25663 9547 1 19 . 1 1 37 37 GLU N N 37 120.512 120.512 119.642 0.870 25663 9548 1 19 . 1 1 37 37 GLU HA H 37 4.244 4.244 3.664 0.580 25663 9549 1 19 . 1 1 37 37 GLU C C 37 177.984 177.984 178.529 -0.545 25663 9550 1 19 . 1 1 37 37 GLU CA C 37 58.018 58.018 59.645 -1.627 25663 9551 1 19 . 1 1 37 37 GLU CB C 37 28.236 28.236 29.353 -1.117 25663 9552 1 19 . 1 1 37 37 GLU H H 37 8.526 8.526 8.405 0.121 25663 9553 1 19 . 1 1 38 38 ALA N N 38 121.256 121.256 120.930 0.326 25663 9554 1 19 . 1 1 38 38 ALA HA H 38 3.995 3.995 4.019 -0.024 25663 9555 1 19 . 1 1 38 38 ALA C C 38 180.513 180.513 179.034 1.479 25663 9556 1 19 . 1 1 38 38 ALA CA C 38 54.968 54.968 54.593 0.375 25663 9557 1 19 . 1 1 38 38 ALA CB C 38 17.792 17.792 18.263 -0.471 25663 9558 1 19 . 1 1 38 38 ALA H H 38 7.806 7.806 7.546 0.260 25663 9559 1 19 . 1 1 39 39 ALA N N 39 120.185 120.185 120.289 -0.104 25663 9560 1 19 . 1 1 39 39 ALA HA H 39 4.164 4.164 4.150 0.014 25663 9561 1 19 . 1 1 39 39 ALA C C 39 180.063 180.063 179.606 0.457 25663 9562 1 19 . 1 1 39 39 ALA CA C 39 54.064 54.064 53.715 0.349 25663 9563 1 19 . 1 1 39 39 ALA CB C 39 17.883 17.883 18.873 -0.990 25663 9564 1 19 . 1 1 39 39 ALA H H 39 7.495 7.495 7.373 0.122 25663 9565 1 19 . 1 1 40 40 ARG N N 40 124.604 124.604 120.070 4.534 25663 9566 1 19 . 1 1 40 40 ARG HA H 40 4.658 4.658 4.112 0.546 25663 9567 1 19 . 1 1 40 40 ARG C C 40 180.610 180.610 178.807 1.803 25663 9568 1 19 . 1 1 40 40 ARG CA C 40 58.559 58.559 58.564 -0.005 25663 9569 1 19 . 1 1 40 40 ARG CB C 40 30.707 30.707 29.784 0.923 25663 9570 1 19 . 1 1 40 40 ARG H H 40 8.789 8.789 8.452 0.337 25663 9571 1 19 . 1 1 41 41 LYS N N 41 117.810 117.810 118.184 -0.374 25663 9572 1 19 . 1 1 41 41 LYS HA H 41 3.925 3.925 4.152 -0.227 25663 9573 1 19 . 1 1 41 41 LYS C C 41 178.134 178.134 177.927 0.207 25663 9574 1 19 . 1 1 41 41 LYS CA C 41 59.409 59.409 57.803 1.606 25663 9575 1 19 . 1 1 41 41 LYS CB C 41 32.786 32.786 31.746 1.040 25663 9576 1 19 . 1 1 41 41 LYS H H 41 8.267 8.267 7.456 0.811 25663 9577 1 19 . 1 1 42 42 ILE N N 42 110.889 110.889 118.940 -8.051 25663 9578 1 19 . 1 1 42 42 ILE HA H 42 4.581 4.581 4.149 0.432 25663 9579 1 19 . 1 1 42 42 ILE C C 42 176.527 176.527 175.963 0.564 25663 9580 1 19 . 1 1 42 42 ILE CA C 42 60.751 60.751 60.242 0.508 25663 9581 1 19 . 1 1 42 42 ILE CB C 42 37.739 37.739 38.095 -0.356 25663 9582 1 19 . 1 1 42 42 ILE H H 42 7.263 7.263 8.105 -0.842 25663 9583 1 19 . 1 1 43 43 GLY N N 43 108.366 108.366 108.745 -0.379 25663 9584 1 19 . 1 1 43 43 GLY C C 43 173.880 173.880 174.031 -0.151 25663 9585 1 19 . 1 1 43 43 GLY CA C 43 45.585 45.585 44.971 0.614 25663 9586 1 19 . 1 1 43 43 GLY H H 43 7.816 7.816 7.612 0.204 25663 9587 1 19 . 1 1 44 44 PHE N N 44 125.650 125.650 120.440 5.210 25663 9588 1 19 . 1 1 44 44 PHE HA H 44 4.510 4.510 4.455 0.055 25663 9589 1 19 . 1 1 44 44 PHE C C 44 171.183 171.183 174.853 -3.670 25663 9590 1 19 . 1 1 44 44 PHE CA C 44 59.012 59.012 59.086 -0.074 25663 9591 1 19 . 1 1 44 44 PHE CB C 44 39.986 39.986 40.273 -0.287 25663 9592 1 19 . 1 1 44 44 PHE H H 44 8.003 8.003 7.575 0.428 25663 9593 1 19 . 1 1 45 45 HIS N N 45 126.999 126.999 125.952 1.047 25663 9594 1 19 . 1 1 45 45 HIS HA H 45 4.728 4.728 4.723 0.005 25663 9595 1 19 . 1 1 45 45 HIS C C 45 175.134 175.134 173.244 1.890 25663 9596 1 19 . 1 1 45 45 HIS CA C 45 55.539 55.539 56.048 -0.509 25663 9597 1 19 . 1 1 45 45 HIS CB C 45 34.586 34.586 30.935 3.651 25663 9598 1 19 . 1 1 45 45 HIS H H 45 7.326 7.326 7.902 -0.576 25663 9599 1 19 . 1 1 46 46 VAL N N 46 126.425 126.425 126.657 -0.232 25663 9600 1 19 . 1 1 46 46 VAL HA H 46 3.665 3.665 3.996 -0.331 25663 9601 1 19 . 1 1 46 46 VAL CA C 46 61.647 61.647 61.281 0.366 25663 9602 1 19 . 1 1 46 46 VAL CB C 46 35.141 35.141 34.718 0.423 25663 9603 1 19 . 1 1 46 46 VAL H H 46 8.147 8.147 7.939 0.208 25663 9604 1 19 . 1 1 47 47 CYS N N 47 127.308 127.308 129.464 -2.156 25663 9605 1 19 . 1 1 47 47 CYS HA H 47 4.470 4.470 4.595 -0.125 25663 9606 1 19 . 1 1 47 47 CYS C C 47 172.533 172.533 173.947 -1.414 25663 9607 1 19 . 1 1 47 47 CYS CA C 47 55.259 55.259 58.003 -2.744 25663 9608 1 19 . 1 1 47 47 CYS CB C 47 44.867 44.867 24.442 20.425 25663 9609 1 19 . 1 1 47 47 CYS H H 47 8.675 8.675 8.759 -0.084 25663 9610 1 19 . 1 1 48 48 ALA N N 48 120.376 120.376 130.225 -9.849 25663 9611 1 19 . 1 1 48 48 ALA HA H 48 4.278 4.278 4.649 -0.371 25663 9612 1 19 . 1 1 48 48 ALA C C 48 173.936 173.936 175.680 -1.744 25663 9613 1 19 . 1 1 48 48 ALA CA C 48 51.286 51.286 52.038 -0.752 25663 9614 1 19 . 1 1 48 48 ALA CB C 48 19.831 19.831 20.699 -0.868 25663 9615 1 19 . 1 1 48 48 ALA H H 48 6.500 6.500 7.665 -1.165 25663 9616 1 19 . 1 1 49 49 ALA N N 49 130.715 130.715 125.919 4.796 25663 9617 1 19 . 1 1 49 49 ALA HA H 49 3.834 3.834 4.938 -1.104 25663 9618 1 19 . 1 1 49 49 ALA C C 49 176.061 176.061 177.189 -1.128 25663 9619 1 19 . 1 1 49 49 ALA CA C 49 53.466 53.466 52.026 1.440 25663 9620 1 19 . 1 1 49 49 ALA CB C 49 18.332 18.332 19.766 -1.434 25663 9621 1 19 . 1 1 49 49 ALA H H 49 8.424 8.424 8.305 0.119 25663 9622 1 19 . 1 1 50 50 GLY N N 50 107.085 107.085 109.683 -2.598 25663 9623 1 19 . 1 1 50 50 GLY C C 50 170.793 170.793 172.288 -1.495 25663 9624 1 19 . 1 1 50 50 GLY CA C 50 43.792 43.792 44.361 -0.569 25663 9625 1 19 . 1 1 50 50 GLY H H 50 8.746 8.746 8.055 0.691 25663 9626 1 19 . 1 1 51 51 TRP N N 51 121.565 121.565 119.758 1.807 25663 9627 1 19 . 1 1 51 51 TRP HA H 51 4.960 4.960 5.013 -0.053 25663 9628 1 19 . 1 1 51 51 TRP C C 51 174.095 174.095 175.894 -1.799 25663 9629 1 19 . 1 1 51 51 TRP CA C 51 58.852 58.852 57.821 1.031 25663 9630 1 19 . 1 1 51 51 TRP CB C 51 32.034 32.034 31.715 0.319 25663 9631 1 19 . 1 1 51 51 TRP H H 51 8.596 8.596 7.913 0.683 25663 9632 1 19 . 1 1 52 52 MET N N 52 118.713 118.713 117.086 1.627 25663 9633 1 19 . 1 1 52 52 MET HA H 52 4.945 4.945 5.045 -0.100 25663 9634 1 19 . 1 1 52 52 MET C C 52 174.575 174.575 175.150 -0.575 25663 9635 1 19 . 1 1 52 52 MET CA C 52 54.277 54.277 53.801 0.476 25663 9636 1 19 . 1 1 52 52 MET CB C 52 39.146 39.146 37.198 1.948 25663 9637 1 19 . 1 1 52 52 MET H H 52 9.116 9.116 9.191 -0.075 25663 9638 1 19 . 1 1 53 53 ALA N N 53 120.116 120.116 122.283 -2.167 25663 9639 1 19 . 1 1 53 53 ALA HA H 53 4.186 4.186 4.265 -0.079 25663 9640 1 19 . 1 1 53 53 ALA C C 53 178.250 178.250 178.348 -0.098 25663 9641 1 19 . 1 1 53 53 ALA CA C 53 53.791 53.791 54.057 -0.266 25663 9642 1 19 . 1 1 53 53 ALA CB C 53 19.462 19.462 19.018 0.444 25663 9643 1 19 . 1 1 53 53 ALA H H 53 8.517 8.517 8.651 -0.134 25663 9644 1 19 . 1 1 54 54 LYS N N 54 112.641 112.641 119.843 -7.202 25663 9645 1 19 . 1 1 54 54 LYS HA H 54 3.857 3.857 3.920 -0.063 25663 9646 1 19 . 1 1 54 54 LYS C C 54 175.913 175.913 176.382 -0.469 25663 9647 1 19 . 1 1 54 54 LYS CA C 54 57.608 57.608 56.688 0.920 25663 9648 1 19 . 1 1 54 54 LYS CB C 54 29.796 29.796 29.199 0.597 25663 9649 1 19 . 1 1 54 54 LYS H H 54 8.866 8.866 8.963 -0.097 25663 9650 1 19 . 1 1 55 55 GLY N N 55 104.227 104.227 103.284 0.943 25663 9651 1 19 . 1 1 55 55 GLY C C 55 173.820 173.820 174.143 -0.323 25663 9652 1 19 . 1 1 55 55 GLY CA C 55 45.933 45.933 45.115 0.818 25663 9653 1 19 . 1 1 55 55 GLY H H 55 8.239 8.239 7.657 0.582 25663 9654 1 19 . 1 1 56 56 ARG N N 56 122.045 122.045 119.732 2.313 25663 9655 1 19 . 1 1 56 56 ARG HA H 56 4.771 4.771 4.258 0.513 25663 9656 1 19 . 1 1 56 56 ARG C C 56 173.828 173.828 174.514 -0.686 25663 9657 1 19 . 1 1 56 56 ARG CA C 56 55.010 55.010 57.020 -2.010 25663 9658 1 19 . 1 1 56 56 ARG CB C 56 31.939 31.939 31.495 0.444 25663 9659 1 19 . 1 1 56 56 ARG H H 56 6.825 6.825 7.532 -0.708 25663 9660 1 19 . 1 1 57 57 VAL N N 57 122.581 122.581 123.016 -0.435 25663 9661 1 19 . 1 1 57 57 VAL HA H 57 4.632 4.632 5.094 -0.462 25663 9662 1 19 . 1 1 57 57 VAL C C 57 173.775 173.775 173.520 0.255 25663 9663 1 19 . 1 1 57 57 VAL CA C 57 59.946 59.946 59.411 0.535 25663 9664 1 19 . 1 1 57 57 VAL CB C 57 35.191 35.191 34.668 0.523 25663 9665 1 19 . 1 1 57 57 VAL H H 57 7.084 7.084 8.365 -1.281 25663 9666 1 19 . 1 1 58 58 GLY N N 58 112.994 112.994 113.173 -0.179 25663 9667 1 19 . 1 1 58 58 GLY C C 58 171.431 171.431 171.300 0.131 25663 9668 1 19 . 1 1 58 58 GLY CA C 58 46.285 46.285 45.399 0.886 25663 9669 1 19 . 1 1 58 58 GLY H H 58 8.112 8.112 7.737 0.375 25663 9670 1 19 . 1 1 59 59 TYR N N 59 111.540 111.540 115.001 -3.461 25663 9671 1 19 . 1 1 59 59 TYR HA H 59 4.337 4.337 5.154 -0.817 25663 9672 1 19 . 1 1 59 59 TYR CA C 59 55.972 55.972 54.499 1.473 25663 9673 1 19 . 1 1 59 59 TYR CB C 59 34.363 34.363 39.504 -5.141 25663 9674 1 19 . 1 1 59 59 TYR H H 59 7.796 7.796 7.919 -0.123 25663 9675 1 19 . 1 1 60 60 PRO HA H 60 4.497 4.497 4.605 -0.108 25663 9676 1 19 . 1 1 60 60 PRO CA C 60 62.231 62.231 63.097 -0.866 25663 9677 1 19 . 1 1 60 60 PRO CB C 60 33.314 33.314 32.099 1.216 25663 9678 1 19 . 1 1 61 61 ILE HA H 61 4.444 4.444 4.868 -0.424 25663 9679 1 19 . 1 1 61 61 ILE CA C 61 56.601 56.601 59.737 -3.136 25663 9680 1 19 . 1 1 61 61 ILE CB C 61 38.417 38.417 41.960 -3.543 25663 9681 1 19 . 1 1 62 62 VAL HA H 62 3.935 3.935 3.995 -0.060 25663 9682 1 19 . 1 1 62 62 VAL CA C 62 64.377 64.377 64.133 0.244 25663 9683 1 19 . 1 1 62 62 VAL CB C 62 34.087 34.087 31.678 2.409 25663 9684 1 19 . 1 1 62 62 VAL H H 62 11.229 11.229 8.633 2.596 25663 9685 1 19 . 1 1 63 63 LYS N N 63 122.578 122.578 117.879 4.699 25663 9686 1 19 . 1 1 63 63 LYS HA H 63 4.753 4.753 4.625 0.128 25663 9687 1 19 . 1 1 63 63 LYS CA C 63 52.473 52.473 53.123 -0.651 25663 9688 1 19 . 1 1 63 63 LYS CB C 63 32.983 32.983 32.748 0.235 25663 9689 1 19 . 1 1 63 63 LYS H H 63 7.501 7.501 7.463 0.038 25663 9690 1 19 . 1 1 64 64 PRO HA H 64 4.362 4.362 4.264 0.098 25663 9691 1 19 . 1 1 64 64 PRO CA C 64 63.124 63.124 63.207 -0.083 25663 9692 1 19 . 1 1 64 64 PRO CB C 64 32.121 32.121 31.982 0.139 25663 9693 1 19 . 1 1 65 65 GLY CA C 65 45.512 45.512 42.899 2.613 25663 9694 1 19 . 1 1 65 65 GLY H H 65 8.377 8.377 8.634 -0.257 25663 9695 1 19 . 1 1 66 66 PRO HA H 66 4.010 4.010 4.432 -0.422 25663 9696 1 19 . 1 1 66 66 PRO C C 66 177.072 177.072 177.061 0.011 25663 9697 1 19 . 1 1 66 66 PRO CA C 66 64.765 64.765 64.745 0.020 25663 9698 1 19 . 1 1 66 66 PRO CB C 66 32.121 32.121 32.130 -0.009 25663 9699 1 19 . 1 1 67 67 ASN N N 67 114.419 114.419 116.850 -2.431 25663 9700 1 19 . 1 1 67 67 ASN HA H 67 4.995 4.995 4.732 0.263 25663 9701 1 19 . 1 1 67 67 ASN C C 67 173.872 173.872 174.786 -0.914 25663 9702 1 19 . 1 1 67 67 ASN CA C 67 52.349 52.349 53.513 -1.164 25663 9703 1 19 . 1 1 67 67 ASN CB C 67 38.955 38.955 38.828 0.127 25663 9704 1 19 . 1 1 67 67 ASN H H 67 8.330 8.330 8.606 -0.276 25663 9705 1 19 . 1 1 68 68 CYS N N 68 118.995 118.995 112.970 6.025 25663 9706 1 19 . 1 1 68 68 CYS HA H 68 5.034 5.034 4.884 0.150 25663 9707 1 19 . 1 1 68 68 CYS CA C 68 54.247 54.247 57.957 -3.710 25663 9708 1 19 . 1 1 68 68 CYS CB C 68 44.260 44.260 31.078 13.182 25663 9709 1 19 . 1 1 68 68 CYS H H 68 7.327 7.327 7.937 -0.610 25663 9710 1 19 . 1 1 70 70 PHE HA H 70 4.305 4.305 4.428 -0.123 25663 9711 1 19 . 1 1 70 70 PHE CA C 70 58.889 58.889 58.080 0.809 25663 9712 1 19 . 1 1 70 70 PHE CB C 70 36.557 36.557 37.232 -0.675 25663 9713 1 19 . 1 1 71 71 GLY N N 71 105.368 105.368 108.847 -3.479 25663 9714 1 19 . 1 1 71 71 GLY CA C 71 46.043 46.043 44.852 1.191 25663 9715 1 19 . 1 1 71 71 GLY H H 71 7.339 7.339 6.651 0.688 25663 9716 1 19 . 1 1 72 72 LYS N N 72 120.404 120.404 117.296 3.108 25663 9717 1 19 . 1 1 72 72 LYS HA H 72 4.264 4.264 4.453 -0.189 25663 9718 1 19 . 1 1 72 72 LYS C C 72 175.440 175.440 174.994 0.446 25663 9719 1 19 . 1 1 72 72 LYS CA C 72 56.413 56.413 55.496 0.917 25663 9720 1 19 . 1 1 72 72 LYS CB C 72 33.686 33.686 33.625 0.061 25663 9721 1 19 . 1 1 72 72 LYS H H 72 6.946 6.946 7.922 -0.976 25663 9722 1 19 . 1 1 73 73 THR N N 73 110.334 110.334 112.943 -2.609 25663 9723 1 19 . 1 1 73 73 THR HA H 73 4.233 4.233 4.420 -0.187 25663 9724 1 19 . 1 1 73 73 THR C C 73 173.774 173.774 175.061 -1.287 25663 9725 1 19 . 1 1 73 73 THR CA C 73 60.879 60.879 61.442 -0.563 25663 9726 1 19 . 1 1 73 73 THR CB C 73 70.841 70.841 70.730 0.111 25663 9727 1 19 . 1 1 73 73 THR H H 73 7.911 7.911 8.189 -0.278 25663 9728 1 19 . 1 1 74 74 GLY N N 74 109.589 109.589 109.510 0.079 25663 9729 1 19 . 1 1 74 74 GLY C C 74 172.715 172.715 173.925 -1.210 25663 9730 1 19 . 1 1 74 74 GLY CA C 74 43.404 43.404 44.712 -1.308 25663 9731 1 19 . 1 1 74 74 GLY H H 74 7.904 7.904 7.880 0.024 25663 9732 1 19 . 1 1 75 75 ILE N N 75 120.787 120.787 119.701 1.086 25663 9733 1 19 . 1 1 75 75 ILE HA H 75 4.221 4.221 3.647 0.574 25663 9734 1 19 . 1 1 75 75 ILE C C 75 176.249 176.249 176.836 -0.587 25663 9735 1 19 . 1 1 75 75 ILE CA C 75 59.422 59.422 62.642 -3.220 25663 9736 1 19 . 1 1 75 75 ILE CB C 75 36.008 36.008 37.710 -1.702 25663 9737 1 19 . 1 1 75 75 ILE H H 75 8.265 8.265 8.186 0.079 25663 9738 1 19 . 1 1 76 76 ILE N N 76 134.542 134.542 125.665 8.877 25663 9739 1 19 . 1 1 76 76 ILE HA H 76 3.587 3.587 4.082 -0.495 25663 9740 1 19 . 1 1 76 76 ILE C C 76 173.769 173.769 174.542 -0.773 25663 9741 1 19 . 1 1 76 76 ILE CA C 76 59.599 59.599 59.032 0.567 25663 9742 1 19 . 1 1 76 76 ILE CB C 76 33.139 33.139 37.595 -4.456 25663 9743 1 19 . 1 1 76 76 ILE H H 76 8.660 8.660 8.029 0.631 25663 9744 1 19 . 1 1 77 77 ASP N N 77 126.213 126.213 121.301 4.912 25663 9745 1 19 . 1 1 77 77 ASP HA H 77 4.790 4.790 4.355 0.435 25663 9746 1 19 . 1 1 77 77 ASP C C 77 176.390 176.390 175.922 0.468 25663 9747 1 19 . 1 1 77 77 ASP CA C 77 52.927 52.927 54.510 -1.583 25663 9748 1 19 . 1 1 77 77 ASP CB C 77 44.224 44.224 41.268 2.956 25663 9749 1 19 . 1 1 77 77 ASP H H 77 7.925 7.925 7.922 0.003 25663 9750 1 19 . 1 1 78 78 TYR N N 78 126.424 126.424 122.615 3.809 25663 9751 1 19 . 1 1 78 78 TYR HA H 78 4.780 4.780 4.506 0.274 25663 9752 1 19 . 1 1 78 78 TYR C C 78 177.025 177.025 175.997 1.028 25663 9753 1 19 . 1 1 78 78 TYR CA C 78 54.257 54.257 57.529 -3.272 25663 9754 1 19 . 1 1 78 78 TYR CB C 78 36.513 36.513 38.795 -2.282 25663 9755 1 19 . 1 1 78 78 TYR H H 78 9.313 9.313 8.180 1.133 25663 9756 1 19 . 1 1 79 79 GLY N N 79 110.776 110.776 109.786 0.990 25663 9757 1 19 . 1 1 79 79 GLY C C 79 172.389 172.389 174.543 -2.154 25663 9758 1 19 . 1 1 79 79 GLY CA C 79 44.317 44.317 45.160 -0.843 25663 9759 1 19 . 1 1 79 79 GLY H H 79 8.880 8.880 8.543 0.337 25663 9760 1 19 . 1 1 80 80 ILE N N 80 117.437 117.437 117.367 0.070 25663 9761 1 19 . 1 1 80 80 ILE HA H 80 3.897 3.897 3.768 0.129 25663 9762 1 19 . 1 1 80 80 ILE C C 80 177.495 177.495 175.667 1.828 25663 9763 1 19 . 1 1 80 80 ILE CA C 80 61.293 61.293 62.439 -1.146 25663 9764 1 19 . 1 1 80 80 ILE CB C 80 36.412 36.412 37.037 -0.625 25663 9765 1 19 . 1 1 80 80 ILE H H 80 8.189 8.189 8.279 -0.090 25663 9766 1 19 . 1 1 81 81 ARG N N 81 128.585 128.585 125.873 2.712 25663 9767 1 19 . 1 1 81 81 ARG HA H 81 4.367 4.367 4.486 -0.119 25663 9768 1 19 . 1 1 81 81 ARG CA C 81 52.745 52.745 54.969 -2.224 25663 9769 1 19 . 1 1 81 81 ARG CB C 81 27.133 27.133 31.413 -4.280 25663 9770 1 19 . 1 1 81 81 ARG H H 81 8.367 8.367 8.610 -0.243 25663 9771 1 19 . 1 1 82 82 LEU HA H 82 4.145 4.145 4.327 -0.182 25663 9772 1 19 . 1 1 82 82 LEU C C 82 177.546 177.546 177.485 0.061 25663 9773 1 19 . 1 1 82 82 LEU CA C 82 56.857 56.857 56.087 0.770 25663 9774 1 19 . 1 1 82 82 LEU CB C 82 42.266 42.266 41.722 0.544 25663 9775 1 19 . 1 1 82 82 LEU H H 82 8.226 8.226 8.539 -0.313 25663 9776 1 19 . 1 1 83 83 ASN N N 83 115.779 115.779 117.652 -1.873 25663 9777 1 19 . 1 1 83 83 ASN HA H 83 4.913 4.913 4.719 0.194 25663 9778 1 19 . 1 1 83 83 ASN C C 83 175.764 175.764 176.775 -1.011 25663 9779 1 19 . 1 1 83 83 ASN CA C 83 51.627 51.627 53.426 -1.799 25663 9780 1 19 . 1 1 83 83 ASN CB C 83 37.505 37.505 36.888 0.617 25663 9781 1 19 . 1 1 83 83 ASN H H 83 8.628 8.628 8.712 -0.084 25663 9782 1 19 . 1 1 84 84 ARG N N 84 121.554 121.554 118.547 3.007 25663 9783 1 19 . 1 1 84 84 ARG HA H 84 4.637 4.637 4.041 0.596 25663 9784 1 19 . 1 1 84 84 ARG C C 84 177.197 177.197 176.956 0.241 25663 9785 1 19 . 1 1 84 84 ARG CA C 84 56.695 56.695 58.679 -1.984 25663 9786 1 19 . 1 1 84 84 ARG CB C 84 29.361 29.361 29.368 -0.007 25663 9787 1 19 . 1 1 84 84 ARG H H 84 8.593 8.593 8.079 0.514 25663 9788 1 19 . 1 1 85 85 SER N N 85 116.623 116.623 112.551 4.072 25663 9789 1 19 . 1 1 85 85 SER HA H 85 4.628 4.628 4.497 0.131 25663 9790 1 19 . 1 1 85 85 SER C C 85 174.403 174.403 174.561 -0.158 25663 9791 1 19 . 1 1 85 85 SER CA C 85 58.827 58.827 59.872 -1.045 25663 9792 1 19 . 1 1 85 85 SER CB C 85 62.996 62.996 64.152 -1.156 25663 9793 1 19 . 1 1 85 85 SER H H 85 8.567 8.567 8.165 0.402 25663 9794 1 19 . 1 1 86 86 GLU N N 86 121.171 121.171 121.251 -0.080 25663 9795 1 19 . 1 1 86 86 GLU HA H 86 3.864 3.864 4.369 -0.505 25663 9796 1 19 . 1 1 86 86 GLU C C 86 174.422 174.422 175.959 -1.537 25663 9797 1 19 . 1 1 86 86 GLU CA C 86 57.520 57.520 56.233 1.288 25663 9798 1 19 . 1 1 86 86 GLU CB C 86 31.292 31.292 30.952 0.340 25663 9799 1 19 . 1 1 86 86 GLU H H 86 7.219 7.219 8.123 -0.904 25663 9800 1 19 . 1 1 87 87 ARG N N 87 118.124 118.124 121.713 -3.589 25663 9801 1 19 . 1 1 87 87 ARG HA H 87 4.687 4.687 4.669 0.018 25663 9802 1 19 . 1 1 87 87 ARG C C 87 173.408 173.408 175.633 -2.225 25663 9803 1 19 . 1 1 87 87 ARG CA C 87 54.387 54.387 55.726 -1.339 25663 9804 1 19 . 1 1 87 87 ARG CB C 87 31.544 31.544 31.344 0.200 25663 9805 1 19 . 1 1 87 87 ARG H H 87 7.263 7.263 8.554 -1.291 25663 9806 1 19 . 1 1 88 88 TRP N N 88 121.383 121.383 121.485 -0.102 25663 9807 1 19 . 1 1 88 88 TRP HA H 88 4.899 4.899 4.897 0.002 25663 9808 1 19 . 1 1 88 88 TRP CA C 88 54.508 54.508 57.268 -2.760 25663 9809 1 19 . 1 1 88 88 TRP CB C 88 33.610 33.610 32.294 1.316 25663 9810 1 19 . 1 1 88 88 TRP H H 88 8.811 8.811 8.987 -0.176 25663 9811 1 19 . 1 1 89 89 ASP N N 89 119.285 119.285 119.351 -0.066 25663 9812 1 19 . 1 1 89 89 ASP HA H 89 5.602 5.602 4.673 0.929 25663 9813 1 19 . 1 1 89 89 ASP C C 89 173.648 173.648 175.758 -2.110 25663 9814 1 19 . 1 1 89 89 ASP CA C 89 54.558 54.558 55.529 -0.971 25663 9815 1 19 . 1 1 89 89 ASP CB C 89 40.438 40.438 41.685 -1.247 25663 9816 1 19 . 1 1 89 89 ASP H H 89 8.552 8.552 8.444 0.108 25663 9817 1 19 . 1 1 90 90 ALA N N 90 121.014 121.014 118.748 2.266 25663 9818 1 19 . 1 1 90 90 ALA HA H 90 5.095 5.095 4.790 0.305 25663 9819 1 19 . 1 1 90 90 ALA C C 90 175.076 175.076 174.963 0.113 25663 9820 1 19 . 1 1 90 90 ALA CA C 90 52.089 52.089 51.916 0.173 25663 9821 1 19 . 1 1 90 90 ALA CB C 90 23.118 23.118 22.284 0.834 25663 9822 1 19 . 1 1 90 90 ALA H H 90 8.449 8.449 8.134 0.315 25663 9823 1 19 . 1 1 91 91 TYR N N 91 118.243 118.243 119.922 -1.679 25663 9824 1 19 . 1 1 91 91 TYR HA H 91 5.072 5.072 5.000 0.072 25663 9825 1 19 . 1 1 91 91 TYR C C 91 174.671 174.671 175.088 -0.417 25663 9826 1 19 . 1 1 91 91 TYR CA C 91 58.787 58.787 58.135 0.652 25663 9827 1 19 . 1 1 91 91 TYR CB C 91 40.686 40.686 41.889 -1.203 25663 9828 1 19 . 1 1 91 91 TYR H H 91 8.421 8.421 8.165 0.256 25663 9829 1 19 . 1 1 92 92 CYS N N 92 119.931 119.931 119.376 0.555 25663 9830 1 19 . 1 1 92 92 CYS HA H 92 5.263 5.263 4.983 0.280 25663 9831 1 19 . 1 1 92 92 CYS C C 92 172.698 172.698 172.838 -0.140 25663 9832 1 19 . 1 1 92 92 CYS CA C 92 50.601 50.601 58.044 -7.443 25663 9833 1 19 . 1 1 92 92 CYS CB C 92 37.818 37.818 32.276 5.542 25663 9834 1 19 . 1 1 92 92 CYS H H 92 8.459 8.459 8.953 -0.494 25663 9835 1 19 . 1 1 93 93 TYR N N 93 120.805 120.805 120.996 -0.191 25663 9836 1 19 . 1 1 93 93 TYR HA H 93 4.903 4.903 4.832 0.071 25663 9837 1 19 . 1 1 93 93 TYR C C 93 173.902 173.902 172.513 1.389 25663 9838 1 19 . 1 1 93 93 TYR CA C 93 57.096 57.096 58.094 -0.999 25663 9839 1 19 . 1 1 93 93 TYR CB C 93 41.665 41.665 40.891 0.774 25663 9840 1 19 . 1 1 93 93 TYR H H 93 9.410 9.410 8.702 0.708 25663 9841 1 19 . 1 1 94 94 ASN N N 94 124.511 124.511 126.290 -1.779 25663 9842 1 19 . 1 1 94 94 ASN HA H 94 4.774 4.774 4.874 -0.100 25663 9843 1 19 . 1 1 94 94 ASN CA C 94 49.599 49.599 49.684 -0.085 25663 9844 1 19 . 1 1 94 94 ASN CB C 94 41.642 41.642 39.144 2.498 25663 9845 1 19 . 1 1 94 94 ASN H H 94 7.832 7.832 8.464 -0.632 25663 9846 1 19 . 1 1 95 95 PRO HA H 95 4.141 4.141 3.883 0.258 25663 9847 1 19 . 1 1 95 95 PRO C C 95 176.345 176.345 177.119 -0.774 25663 9848 1 19 . 1 1 95 95 PRO CA C 95 63.800 63.800 63.801 -0.001 25663 9849 1 19 . 1 1 95 95 PRO CB C 95 32.046 32.046 31.780 0.266 25663 9850 1 19 . 1 1 96 96 HIS N N 96 116.009 116.009 122.616 -6.607 25663 9851 1 19 . 1 1 96 96 HIS HA H 96 4.623 4.623 4.101 0.522 25663 9852 1 19 . 1 1 96 96 HIS C C 96 173.999 173.999 175.626 -1.627 25663 9853 1 19 . 1 1 96 96 HIS CA C 96 55.046 55.046 58.733 -3.687 25663 9854 1 19 . 1 1 96 96 HIS CB C 96 28.821 28.821 28.694 0.127 25663 9855 1 19 . 1 1 96 96 HIS H H 96 8.354 8.354 8.469 -0.115 25663 9856 1 19 . 1 1 97 97 ALA N N 97 123.775 123.775 124.301 -0.526 25663 9857 1 19 . 1 1 97 97 ALA HA H 97 4.269 4.269 4.101 0.168 25663 9858 1 19 . 1 1 97 97 ALA C C 97 176.350 176.350 176.323 0.027 25663 9859 1 19 . 1 1 97 97 ALA CA C 97 51.796 51.796 53.247 -1.451 25663 9860 1 19 . 1 1 97 97 ALA CB C 97 19.648 19.648 17.788 1.860 25663 9861 1 19 . 1 1 97 97 ALA H H 97 7.387 7.387 8.670 -1.283 25663 9862 1 20 . 1 1 2 2 VAL N N 2 122.742 122.742 119.946 2.796 25663 9863 1 20 . 1 1 2 2 VAL HA H 2 5.257 5.257 4.268 0.989 25663 9864 1 20 . 1 1 2 2 VAL C C 2 174.533 174.533 175.214 -0.681 25663 9865 1 20 . 1 1 2 2 VAL CA C 2 60.536 60.536 61.933 -1.397 25663 9866 1 20 . 1 1 2 2 VAL CB C 2 33.278 33.278 32.673 0.605 25663 9867 1 20 . 1 1 2 2 VAL H H 2 8.486 8.486 7.575 0.911 25663 9868 1 20 . 1 1 3 3 TYR N N 3 120.172 120.172 127.275 -7.103 25663 9869 1 20 . 1 1 3 3 TYR HA H 3 4.964 4.964 4.991 -0.027 25663 9870 1 20 . 1 1 3 3 TYR C C 3 173.399 173.399 174.164 -0.765 25663 9871 1 20 . 1 1 3 3 TYR CA C 3 56.073 56.073 56.530 -0.457 25663 9872 1 20 . 1 1 3 3 TYR CB C 3 40.278 40.278 41.496 -1.218 25663 9873 1 20 . 1 1 3 3 TYR H H 3 8.715 8.715 8.440 0.275 25663 9874 1 20 . 1 1 4 4 HIS N N 4 121.237 121.237 122.938 -1.701 25663 9875 1 20 . 1 1 4 4 HIS HA H 4 4.929 4.929 4.775 0.154 25663 9876 1 20 . 1 1 4 4 HIS C C 4 172.844 172.844 174.213 -1.369 25663 9877 1 20 . 1 1 4 4 HIS CA C 4 54.154 54.154 55.442 -1.288 25663 9878 1 20 . 1 1 4 4 HIS CB C 4 30.961 30.961 30.285 0.676 25663 9879 1 20 . 1 1 4 4 HIS H H 4 9.414 9.414 8.402 1.012 25663 9880 1 20 . 1 1 5 5 ARG N N 5 128.770 128.770 124.057 4.713 25663 9881 1 20 . 1 1 5 5 ARG HA H 5 4.619 4.619 4.550 0.069 25663 9882 1 20 . 1 1 5 5 ARG C C 5 172.967 172.967 173.921 -0.954 25663 9883 1 20 . 1 1 5 5 ARG CA C 5 53.177 53.177 55.425 -2.248 25663 9884 1 20 . 1 1 5 5 ARG CB C 5 33.832 33.832 33.226 0.606 25663 9885 1 20 . 1 1 5 5 ARG H H 5 8.805 8.805 8.669 0.136 25663 9886 1 20 . 1 1 6 6 GLU N N 6 121.037 121.037 120.749 0.288 25663 9887 1 20 . 1 1 6 6 GLU HA H 6 4.490 4.490 4.574 -0.084 25663 9888 1 20 . 1 1 6 6 GLU C C 6 176.264 176.264 174.246 2.018 25663 9889 1 20 . 1 1 6 6 GLU CA C 6 53.336 53.336 55.102 -1.766 25663 9890 1 20 . 1 1 6 6 GLU CB C 6 33.133 33.133 32.353 0.780 25663 9891 1 20 . 1 1 6 6 GLU H H 6 8.232 8.232 8.376 -0.144 25663 9892 1 20 . 1 1 7 7 ALA N N 7 123.438 123.438 122.767 0.671 25663 9893 1 20 . 1 1 7 7 ALA HA H 7 4.215 4.215 4.578 -0.363 25663 9894 1 20 . 1 1 7 7 ALA C C 7 178.419 178.419 177.476 0.943 25663 9895 1 20 . 1 1 7 7 ALA CA C 7 52.182 52.182 51.543 0.639 25663 9896 1 20 . 1 1 7 7 ALA CB C 7 20.128 20.128 20.420 -0.292 25663 9897 1 20 . 1 1 7 7 ALA H H 7 8.756 8.756 8.380 0.376 25663 9898 1 20 . 1 1 8 8 ARG N N 8 122.559 122.559 119.455 3.104 25663 9899 1 20 . 1 1 8 8 ARG HA H 8 3.998 3.998 4.207 -0.209 25663 9900 1 20 . 1 1 8 8 ARG C C 8 177.448 177.448 177.506 -0.058 25663 9901 1 20 . 1 1 8 8 ARG CA C 8 58.660 58.660 57.892 0.768 25663 9902 1 20 . 1 1 8 8 ARG CB C 8 29.406 29.406 30.350 -0.944 25663 9903 1 20 . 1 1 8 8 ARG H H 8 8.945 8.945 8.633 0.312 25663 9904 1 20 . 1 1 9 9 SER N N 9 107.309 107.309 113.796 -6.487 25663 9905 1 20 . 1 1 9 9 SER HA H 9 4.261 4.261 4.399 -0.138 25663 9906 1 20 . 1 1 9 9 SER C C 9 174.411 174.411 174.802 -0.391 25663 9907 1 20 . 1 1 9 9 SER CA C 9 58.081 58.081 58.854 -0.773 25663 9908 1 20 . 1 1 9 9 SER CB C 9 62.972 62.972 64.181 -1.209 25663 9909 1 20 . 1 1 9 9 SER H H 9 7.445 7.445 7.915 -0.469 25663 9910 1 20 . 1 1 10 10 GLY N N 10 109.574 109.574 109.225 0.349 25663 9911 1 20 . 1 1 10 10 GLY C C 10 171.580 171.580 174.153 -2.573 25663 9912 1 20 . 1 1 10 10 GLY CA C 10 44.036 44.036 44.583 -0.547 25663 9913 1 20 . 1 1 10 10 GLY H H 10 7.379 7.379 7.462 -0.083 25663 9914 1 20 . 1 1 11 11 LYS N N 11 121.683 121.683 119.599 2.084 25663 9915 1 20 . 1 1 11 11 LYS HA H 11 3.993 3.993 3.989 0.004 25663 9916 1 20 . 1 1 11 11 LYS C C 11 175.995 175.995 176.336 -0.341 25663 9917 1 20 . 1 1 11 11 LYS CA C 11 57.374 57.374 57.841 -0.467 25663 9918 1 20 . 1 1 11 11 LYS CB C 11 34.009 34.009 32.801 1.208 25663 9919 1 20 . 1 1 11 11 LYS H H 11 8.040 8.040 8.412 -0.372 25663 9920 1 20 . 1 1 12 12 TYR N N 12 122.956 122.956 114.323 8.633 25663 9921 1 20 . 1 1 12 12 TYR HA H 12 3.990 3.990 4.421 -0.431 25663 9922 1 20 . 1 1 12 12 TYR C C 12 173.905 173.905 174.861 -0.956 25663 9923 1 20 . 1 1 12 12 TYR CA C 12 54.397 54.397 57.340 -2.943 25663 9924 1 20 . 1 1 12 12 TYR CB C 12 32.105 32.105 36.605 -4.500 25663 9925 1 20 . 1 1 12 12 TYR H H 12 9.830 9.830 7.968 1.862 25663 9926 1 20 . 1 1 13 13 LYS N N 13 114.683 114.683 119.896 -5.213 25663 9927 1 20 . 1 1 13 13 LYS HA H 13 4.577 4.577 4.532 0.045 25663 9928 1 20 . 1 1 13 13 LYS C C 13 176.999 176.999 174.689 2.310 25663 9929 1 20 . 1 1 13 13 LYS CA C 13 55.014 55.014 55.467 -0.452 25663 9930 1 20 . 1 1 13 13 LYS CB C 13 35.021 35.021 33.617 1.404 25663 9931 1 20 . 1 1 13 13 LYS H H 13 8.445 8.445 7.557 0.888 25663 9932 1 20 . 1 1 14 14 LEU N N 14 123.176 123.176 121.130 2.046 25663 9933 1 20 . 1 1 14 14 LEU HA H 14 5.122 5.122 4.989 0.133 25663 9934 1 20 . 1 1 14 14 LEU C C 14 178.304 178.304 175.236 3.068 25663 9935 1 20 . 1 1 14 14 LEU CA C 14 54.800 54.800 53.221 1.579 25663 9936 1 20 . 1 1 14 14 LEU CB C 14 43.528 43.528 45.491 -1.963 25663 9937 1 20 . 1 1 14 14 LEU H H 14 9.479 9.479 7.477 2.002 25663 9938 1 20 . 1 1 15 15 THR N N 15 116.144 116.144 117.335 -1.191 25663 9939 1 20 . 1 1 15 15 THR HA H 15 5.485 5.485 4.956 0.529 25663 9940 1 20 . 1 1 15 15 THR C C 15 174.697 174.697 175.940 -1.243 25663 9941 1 20 . 1 1 15 15 THR CA C 15 61.722 61.722 59.924 1.798 25663 9942 1 20 . 1 1 15 15 THR CB C 15 70.914 70.914 70.994 -0.080 25663 9943 1 20 . 1 1 15 15 THR H H 15 8.792 8.792 9.421 -0.629 25663 9944 1 20 . 1 1 16 16 TYR N N 16 120.594 120.594 121.331 -0.737 25663 9945 1 20 . 1 1 16 16 TYR HA H 16 2.375 2.375 4.012 -1.637 25663 9946 1 20 . 1 1 16 16 TYR C C 16 176.133 176.133 176.710 -0.577 25663 9947 1 20 . 1 1 16 16 TYR CA C 16 61.408 61.408 61.352 0.056 25663 9948 1 20 . 1 1 16 16 TYR CB C 16 36.889 36.889 36.400 0.489 25663 9949 1 20 . 1 1 16 16 TYR H H 16 7.402 7.402 8.754 -1.352 25663 9950 1 20 . 1 1 17 17 ALA N N 17 118.108 118.108 120.619 -2.511 25663 9951 1 20 . 1 1 17 17 ALA HA H 17 3.509 3.509 3.638 -0.129 25663 9952 1 20 . 1 1 17 17 ALA C C 17 181.575 181.575 179.287 2.288 25663 9953 1 20 . 1 1 17 17 ALA CA C 17 54.732 54.732 54.406 0.327 25663 9954 1 20 . 1 1 17 17 ALA CB C 17 18.124 18.124 17.781 0.343 25663 9955 1 20 . 1 1 17 17 ALA H H 17 8.545 8.545 7.072 1.473 25663 9956 1 20 . 1 1 18 18 GLU N N 18 117.696 117.696 118.922 -1.226 25663 9957 1 20 . 1 1 18 18 GLU HA H 18 3.879 3.879 3.925 -0.046 25663 9958 1 20 . 1 1 18 18 GLU C C 18 178.624 178.624 178.880 -0.256 25663 9959 1 20 . 1 1 18 18 GLU CA C 18 58.432 58.432 59.087 -0.655 25663 9960 1 20 . 1 1 18 18 GLU CB C 18 30.814 30.814 29.591 1.222 25663 9961 1 20 . 1 1 18 18 GLU H H 18 7.327 7.327 7.412 -0.085 25663 9962 1 20 . 1 1 19 19 ALA N N 19 124.629 124.629 121.750 2.879 25663 9963 1 20 . 1 1 19 19 ALA HA H 19 3.871 3.871 3.975 -0.104 25663 9964 1 20 . 1 1 19 19 ALA C C 19 177.371 177.371 179.781 -2.410 25663 9965 1 20 . 1 1 19 19 ALA CA C 19 54.955 54.955 55.406 -0.451 25663 9966 1 20 . 1 1 19 19 ALA CB C 19 19.893 19.893 18.340 1.553 25663 9967 1 20 . 1 1 19 19 ALA H H 19 8.744 8.744 8.184 0.560 25663 9968 1 20 . 1 1 20 20 LYS N N 20 117.842 117.842 117.427 0.415 25663 9969 1 20 . 1 1 20 20 LYS HA H 20 3.435 3.435 4.160 -0.725 25663 9970 1 20 . 1 1 20 20 LYS C C 20 178.017 178.017 178.191 -0.174 25663 9971 1 20 . 1 1 20 20 LYS CA C 20 60.086 60.086 58.645 1.441 25663 9972 1 20 . 1 1 20 20 LYS CB C 20 33.186 33.186 32.296 0.890 25663 9973 1 20 . 1 1 20 20 LYS H H 20 8.188 8.188 7.859 0.329 25663 9974 1 20 . 1 1 21 21 ALA N N 21 117.564 117.564 121.322 -3.758 25663 9975 1 20 . 1 1 21 21 ALA HA H 21 4.040 4.040 4.223 -0.183 25663 9976 1 20 . 1 1 21 21 ALA C C 21 180.598 180.598 179.369 1.229 25663 9977 1 20 . 1 1 21 21 ALA CA C 21 54.991 54.991 54.449 0.542 25663 9978 1 20 . 1 1 21 21 ALA CB C 21 18.071 18.071 19.019 -0.948 25663 9979 1 20 . 1 1 21 21 ALA H H 21 7.382 7.382 7.446 -0.064 25663 9980 1 20 . 1 1 22 22 VAL N N 22 120.351 120.351 115.878 4.473 25663 9981 1 20 . 1 1 22 22 VAL HA H 22 3.883 3.883 3.808 0.075 25663 9982 1 20 . 1 1 22 22 VAL C C 22 177.921 177.921 176.418 1.503 25663 9983 1 20 . 1 1 22 22 VAL CA C 22 66.242 66.242 65.121 1.121 25663 9984 1 20 . 1 1 22 22 VAL CB C 22 31.136 31.136 32.126 -0.990 25663 9985 1 20 . 1 1 22 22 VAL H H 22 8.203 8.203 7.787 0.416 25663 9986 1 20 . 1 1 23 23 CYS N N 23 116.368 116.368 116.875 -0.507 25663 9987 1 20 . 1 1 23 23 CYS HA H 23 4.352 4.352 4.729 -0.377 25663 9988 1 20 . 1 1 23 23 CYS C C 23 178.687 178.687 173.467 5.220 25663 9989 1 20 . 1 1 23 23 CYS CA C 23 55.224 55.224 59.425 -4.201 25663 9990 1 20 . 1 1 23 23 CYS CB C 23 33.542 33.542 30.220 3.322 25663 9991 1 20 . 1 1 23 23 CYS H H 23 7.788 7.788 7.542 0.246 25663 9992 1 20 . 1 1 24 24 GLU N N 24 120.341 120.341 115.043 5.298 25663 9993 1 20 . 1 1 24 24 GLU HA H 24 4.259 4.259 4.046 0.213 25663 9994 1 20 . 1 1 24 24 GLU C C 24 180.516 180.516 176.940 3.576 25663 9995 1 20 . 1 1 24 24 GLU CA C 24 58.412 58.412 58.053 0.359 25663 9996 1 20 . 1 1 24 24 GLU CB C 24 28.855 28.855 28.215 0.640 25663 9997 1 20 . 1 1 24 24 GLU H H 24 8.196 8.196 8.881 -0.685 25663 9998 1 20 . 1 1 25 25 PHE N N 25 124.937 124.937 118.169 6.768 25663 9999 1 20 . 1 1 25 25 PHE HA H 25 4.267 4.267 4.359 -0.092 25663 10000 1 20 . 1 1 25 25 PHE C C 25 177.593 177.593 176.135 1.458 25663 10001 1 20 . 1 1 25 25 PHE CA C 25 60.845 60.845 60.397 0.448 25663 10002 1 20 . 1 1 25 25 PHE CB C 25 39.035 39.035 38.773 0.262 25663 10003 1 20 . 1 1 25 25 PHE H H 25 8.946 8.946 8.172 0.774 25663 10004 1 20 . 1 1 26 26 GLU N N 26 114.486 114.486 117.941 -3.455 25663 10005 1 20 . 1 1 26 26 GLU HA H 26 4.090 4.090 4.179 -0.089 25663 10006 1 20 . 1 1 26 26 GLU C C 26 175.712 175.712 177.044 -1.332 25663 10007 1 20 . 1 1 26 26 GLU CA C 26 56.249 56.249 54.887 1.362 25663 10008 1 20 . 1 1 26 26 GLU CB C 26 29.418 29.418 27.145 2.273 25663 10009 1 20 . 1 1 26 26 GLU H H 26 7.359 7.359 6.828 0.531 25663 10010 1 20 . 1 1 27 27 GLY N N 27 106.503 106.503 107.055 -0.552 25663 10011 1 20 . 1 1 27 27 GLY C C 27 174.107 174.107 174.726 -0.619 25663 10012 1 20 . 1 1 27 27 GLY CA C 27 45.426 45.426 44.831 0.595 25663 10013 1 20 . 1 1 27 27 GLY H H 27 7.695 7.695 7.655 0.040 25663 10014 1 20 . 1 1 28 28 GLY N N 28 109.515 109.515 108.191 1.324 25663 10015 1 20 . 1 1 28 28 GLY C C 28 172.079 172.079 172.377 -0.298 25663 10016 1 20 . 1 1 28 28 GLY CA C 28 43.788 43.788 43.508 0.280 25663 10017 1 20 . 1 1 28 28 GLY H H 28 7.745 7.745 8.093 -0.348 25663 10018 1 20 . 1 1 29 29 HIS N N 29 116.220 116.220 115.373 0.847 25663 10019 1 20 . 1 1 29 29 HIS HA H 29 4.865 4.865 4.781 0.084 25663 10020 1 20 . 1 1 29 29 HIS C C 29 174.118 174.118 173.902 0.216 25663 10021 1 20 . 1 1 29 29 HIS CA C 29 54.169 54.169 55.019 -0.850 25663 10022 1 20 . 1 1 29 29 HIS CB C 29 33.436 33.436 31.146 2.290 25663 10023 1 20 . 1 1 29 29 HIS H H 29 8.412 8.412 7.905 0.507 25663 10024 1 20 . 1 1 30 30 LEU N N 30 124.046 124.046 122.040 2.006 25663 10025 1 20 . 1 1 30 30 LEU HA H 30 4.912 4.912 4.602 0.310 25663 10026 1 20 . 1 1 30 30 LEU C C 30 178.158 178.158 178.117 0.041 25663 10027 1 20 . 1 1 30 30 LEU CA C 30 56.817 56.817 55.705 1.112 25663 10028 1 20 . 1 1 30 30 LEU CB C 30 42.534 42.534 42.625 -0.091 25663 10029 1 20 . 1 1 30 30 LEU H H 30 9.399 9.399 8.559 0.840 25663 10030 1 20 . 1 1 31 31 ALA N N 31 126.730 126.730 124.833 1.897 25663 10031 1 20 . 1 1 31 31 ALA HA H 31 4.403 4.403 4.433 -0.030 25663 10032 1 20 . 1 1 31 31 ALA C C 31 176.879 176.879 177.437 -0.558 25663 10033 1 20 . 1 1 31 31 ALA CA C 31 52.006 52.006 52.521 -0.515 25663 10034 1 20 . 1 1 31 31 ALA CB C 31 19.593 19.593 18.496 1.097 25663 10035 1 20 . 1 1 31 31 ALA H H 31 9.331 9.331 8.260 1.071 25663 10036 1 20 . 1 1 32 32 THR N N 32 111.206 111.206 117.766 -6.560 25663 10037 1 20 . 1 1 32 32 THR HA H 32 4.528 4.528 4.320 0.208 25663 10038 1 20 . 1 1 32 32 THR C C 32 174.899 174.899 175.155 -0.256 25663 10039 1 20 . 1 1 32 32 THR CA C 32 59.818 59.818 60.862 -1.044 25663 10040 1 20 . 1 1 32 32 THR CB C 32 70.949 70.949 70.912 0.037 25663 10041 1 20 . 1 1 32 32 THR H H 32 8.511 8.511 7.885 0.626 25663 10042 1 20 . 1 1 33 33 TYR N N 33 121.971 121.971 124.330 -2.359 25663 10043 1 20 . 1 1 33 33 TYR HA H 33 3.745 3.745 4.096 -0.351 25663 10044 1 20 . 1 1 33 33 TYR C C 33 176.176 176.176 177.162 -0.986 25663 10045 1 20 . 1 1 33 33 TYR CA C 33 62.320 62.320 63.563 -1.243 25663 10046 1 20 . 1 1 33 33 TYR CB C 33 38.737 38.737 38.663 0.074 25663 10047 1 20 . 1 1 33 33 TYR H H 33 8.623 8.623 9.060 -0.437 25663 10048 1 20 . 1 1 34 34 LYS N N 34 116.509 116.509 118.580 -2.071 25663 10049 1 20 . 1 1 34 34 LYS HA H 34 3.905 3.905 3.802 0.103 25663 10050 1 20 . 1 1 34 34 LYS C C 34 180.207 180.207 178.489 1.718 25663 10051 1 20 . 1 1 34 34 LYS CA C 34 59.854 59.854 59.550 0.304 25663 10052 1 20 . 1 1 34 34 LYS CB C 34 32.743 32.743 31.708 1.035 25663 10053 1 20 . 1 1 34 34 LYS H H 34 8.284 8.284 8.557 -0.273 25663 10054 1 20 . 1 1 35 35 GLN N N 35 119.270 119.270 118.766 0.504 25663 10055 1 20 . 1 1 35 35 GLN HA H 35 3.822 3.822 4.041 -0.219 25663 10056 1 20 . 1 1 35 35 GLN C C 35 179.050 179.050 178.449 0.601 25663 10057 1 20 . 1 1 35 35 GLN CA C 35 58.402 58.402 58.632 -0.230 25663 10058 1 20 . 1 1 35 35 GLN CB C 35 26.715 26.715 28.313 -1.598 25663 10059 1 20 . 1 1 35 35 GLN H H 35 7.747 7.747 8.063 -0.316 25663 10060 1 20 . 1 1 36 36 LEU N N 36 122.992 122.992 120.422 2.570 25663 10061 1 20 . 1 1 36 36 LEU HA H 36 3.891 3.891 3.650 0.241 25663 10062 1 20 . 1 1 36 36 LEU C C 36 177.812 177.812 178.620 -0.808 25663 10063 1 20 . 1 1 36 36 LEU CA C 36 58.166 58.166 57.691 0.475 25663 10064 1 20 . 1 1 36 36 LEU CB C 36 41.981 41.981 41.747 0.234 25663 10065 1 20 . 1 1 36 36 LEU H H 36 8.473 8.473 8.531 -0.058 25663 10066 1 20 . 1 1 37 37 GLU N N 37 120.512 120.512 119.215 1.297 25663 10067 1 20 . 1 1 37 37 GLU HA H 37 4.244 4.244 3.736 0.508 25663 10068 1 20 . 1 1 37 37 GLU C C 37 177.984 177.984 178.521 -0.537 25663 10069 1 20 . 1 1 37 37 GLU CA C 37 58.018 58.018 59.378 -1.360 25663 10070 1 20 . 1 1 37 37 GLU CB C 37 28.236 28.236 29.386 -1.150 25663 10071 1 20 . 1 1 37 37 GLU H H 37 8.526 8.526 8.250 0.276 25663 10072 1 20 . 1 1 38 38 ALA N N 38 121.256 121.256 120.968 0.288 25663 10073 1 20 . 1 1 38 38 ALA HA H 38 3.995 3.995 4.078 -0.083 25663 10074 1 20 . 1 1 38 38 ALA C C 38 180.513 180.513 179.314 1.199 25663 10075 1 20 . 1 1 38 38 ALA CA C 38 54.968 54.968 54.617 0.351 25663 10076 1 20 . 1 1 38 38 ALA CB C 38 17.792 17.792 18.201 -0.409 25663 10077 1 20 . 1 1 38 38 ALA H H 38 7.806 7.806 7.447 0.359 25663 10078 1 20 . 1 1 39 39 ALA N N 39 120.185 120.185 119.993 0.192 25663 10079 1 20 . 1 1 39 39 ALA HA H 39 4.164 4.164 4.297 -0.133 25663 10080 1 20 . 1 1 39 39 ALA C C 39 180.063 180.063 179.640 0.423 25663 10081 1 20 . 1 1 39 39 ALA CA C 39 54.064 54.064 53.580 0.484 25663 10082 1 20 . 1 1 39 39 ALA CB C 39 17.883 17.883 18.684 -0.801 25663 10083 1 20 . 1 1 39 39 ALA H H 39 7.495 7.495 7.436 0.059 25663 10084 1 20 . 1 1 40 40 ARG N N 40 124.604 124.604 120.387 4.217 25663 10085 1 20 . 1 1 40 40 ARG HA H 40 4.658 4.658 4.170 0.488 25663 10086 1 20 . 1 1 40 40 ARG C C 40 180.610 180.610 178.652 1.958 25663 10087 1 20 . 1 1 40 40 ARG CA C 40 58.559 58.559 58.521 0.038 25663 10088 1 20 . 1 1 40 40 ARG CB C 40 30.707 30.707 29.740 0.967 25663 10089 1 20 . 1 1 40 40 ARG H H 40 8.789 8.789 7.879 0.910 25663 10090 1 20 . 1 1 41 41 LYS N N 41 117.810 117.810 118.943 -1.133 25663 10091 1 20 . 1 1 41 41 LYS HA H 41 3.925 3.925 4.219 -0.294 25663 10092 1 20 . 1 1 41 41 LYS C C 41 178.134 178.134 177.577 0.557 25663 10093 1 20 . 1 1 41 41 LYS CA C 41 59.409 59.409 58.390 1.019 25663 10094 1 20 . 1 1 41 41 LYS CB C 41 32.786 32.786 32.336 0.450 25663 10095 1 20 . 1 1 41 41 LYS H H 41 8.267 8.267 7.547 0.720 25663 10096 1 20 . 1 1 42 42 ILE N N 42 110.889 110.889 118.611 -7.722 25663 10097 1 20 . 1 1 42 42 ILE HA H 42 4.581 4.581 4.170 0.411 25663 10098 1 20 . 1 1 42 42 ILE C C 42 176.527 176.527 176.298 0.229 25663 10099 1 20 . 1 1 42 42 ILE CA C 42 60.751 60.751 61.525 -0.774 25663 10100 1 20 . 1 1 42 42 ILE CB C 42 37.739 37.739 38.143 -0.404 25663 10101 1 20 . 1 1 42 42 ILE H H 42 7.263 7.263 7.950 -0.687 25663 10102 1 20 . 1 1 43 43 GLY N N 43 108.366 108.366 108.960 -0.594 25663 10103 1 20 . 1 1 43 43 GLY C C 43 173.880 173.880 174.281 -0.401 25663 10104 1 20 . 1 1 43 43 GLY CA C 43 45.585 45.585 44.815 0.770 25663 10105 1 20 . 1 1 43 43 GLY H H 43 7.816 7.816 7.533 0.283 25663 10106 1 20 . 1 1 44 44 PHE N N 44 125.650 125.650 120.743 4.907 25663 10107 1 20 . 1 1 44 44 PHE HA H 44 4.510 4.510 4.492 0.018 25663 10108 1 20 . 1 1 44 44 PHE C C 44 171.183 171.183 174.699 -3.516 25663 10109 1 20 . 1 1 44 44 PHE CA C 44 59.012 59.012 59.015 -0.003 25663 10110 1 20 . 1 1 44 44 PHE CB C 44 39.986 39.986 40.117 -0.132 25663 10111 1 20 . 1 1 44 44 PHE H H 44 8.003 8.003 7.557 0.446 25663 10112 1 20 . 1 1 45 45 HIS N N 45 126.999 126.999 125.807 1.192 25663 10113 1 20 . 1 1 45 45 HIS HA H 45 4.728 4.728 4.637 0.091 25663 10114 1 20 . 1 1 45 45 HIS C C 45 175.134 175.134 172.934 2.200 25663 10115 1 20 . 1 1 45 45 HIS CA C 45 55.539 55.539 55.744 -0.205 25663 10116 1 20 . 1 1 45 45 HIS CB C 45 34.586 34.586 30.999 3.587 25663 10117 1 20 . 1 1 45 45 HIS H H 45 7.326 7.326 7.806 -0.480 25663 10118 1 20 . 1 1 46 46 VAL N N 46 126.425 126.425 127.061 -0.636 25663 10119 1 20 . 1 1 46 46 VAL HA H 46 3.665 3.665 3.917 -0.252 25663 10120 1 20 . 1 1 46 46 VAL CA C 46 61.647 61.647 61.403 0.244 25663 10121 1 20 . 1 1 46 46 VAL CB C 46 35.141 35.141 34.199 0.942 25663 10122 1 20 . 1 1 46 46 VAL H H 46 8.147 8.147 7.657 0.490 25663 10123 1 20 . 1 1 47 47 CYS N N 47 127.308 127.308 128.425 -1.117 25663 10124 1 20 . 1 1 47 47 CYS HA H 47 4.470 4.470 4.567 -0.097 25663 10125 1 20 . 1 1 47 47 CYS C C 47 172.533 172.533 174.192 -1.659 25663 10126 1 20 . 1 1 47 47 CYS CA C 47 55.259 55.259 58.856 -3.597 25663 10127 1 20 . 1 1 47 47 CYS CB C 47 44.867 44.867 25.313 19.554 25663 10128 1 20 . 1 1 47 47 CYS H H 47 8.675 8.675 8.574 0.101 25663 10129 1 20 . 1 1 48 48 ALA N N 48 120.376 120.376 131.479 -11.103 25663 10130 1 20 . 1 1 48 48 ALA HA H 48 4.278 4.278 4.556 -0.278 25663 10131 1 20 . 1 1 48 48 ALA C C 48 173.936 173.936 175.944 -2.008 25663 10132 1 20 . 1 1 48 48 ALA CA C 48 51.286 51.286 52.180 -0.894 25663 10133 1 20 . 1 1 48 48 ALA CB C 48 19.831 19.831 20.869 -1.038 25663 10134 1 20 . 1 1 48 48 ALA H H 48 6.500 6.500 8.027 -1.527 25663 10135 1 20 . 1 1 49 49 ALA N N 49 130.715 130.715 127.265 3.450 25663 10136 1 20 . 1 1 49 49 ALA HA H 49 3.834 3.834 5.374 -1.540 25663 10137 1 20 . 1 1 49 49 ALA C C 49 176.061 176.061 177.198 -1.137 25663 10138 1 20 . 1 1 49 49 ALA CA C 49 53.466 53.466 51.478 1.988 25663 10139 1 20 . 1 1 49 49 ALA CB C 49 18.332 18.332 20.171 -1.839 25663 10140 1 20 . 1 1 49 49 ALA H H 49 8.424 8.424 8.785 -0.361 25663 10141 1 20 . 1 1 50 50 GLY N N 50 107.085 107.085 109.387 -2.302 25663 10142 1 20 . 1 1 50 50 GLY C C 50 170.793 170.793 172.048 -1.255 25663 10143 1 20 . 1 1 50 50 GLY CA C 50 43.792 43.792 45.122 -1.330 25663 10144 1 20 . 1 1 50 50 GLY H H 50 8.746 8.746 7.851 0.895 25663 10145 1 20 . 1 1 51 51 TRP N N 51 121.565 121.565 119.868 1.697 25663 10146 1 20 . 1 1 51 51 TRP HA H 51 4.960 4.960 4.871 0.089 25663 10147 1 20 . 1 1 51 51 TRP C C 51 174.095 174.095 175.882 -1.787 25663 10148 1 20 . 1 1 51 51 TRP CA C 51 58.852 58.852 57.569 1.283 25663 10149 1 20 . 1 1 51 51 TRP CB C 51 32.034 32.034 31.760 0.274 25663 10150 1 20 . 1 1 51 51 TRP H H 51 8.596 8.596 8.978 -0.382 25663 10151 1 20 . 1 1 52 52 MET N N 52 118.713 118.713 116.930 1.783 25663 10152 1 20 . 1 1 52 52 MET HA H 52 4.945 4.945 4.965 -0.020 25663 10153 1 20 . 1 1 52 52 MET C C 52 174.575 174.575 175.093 -0.518 25663 10154 1 20 . 1 1 52 52 MET CA C 52 54.277 54.277 53.838 0.439 25663 10155 1 20 . 1 1 52 52 MET CB C 52 39.146 39.146 36.950 2.196 25663 10156 1 20 . 1 1 52 52 MET H H 52 9.116 9.116 8.851 0.265 25663 10157 1 20 . 1 1 53 53 ALA N N 53 120.116 120.116 122.024 -1.908 25663 10158 1 20 . 1 1 53 53 ALA HA H 53 4.186 4.186 4.158 0.028 25663 10159 1 20 . 1 1 53 53 ALA C C 53 178.250 178.250 178.079 0.171 25663 10160 1 20 . 1 1 53 53 ALA CA C 53 53.791 53.791 53.514 0.277 25663 10161 1 20 . 1 1 53 53 ALA CB C 53 19.462 19.462 18.919 0.543 25663 10162 1 20 . 1 1 53 53 ALA H H 53 8.517 8.517 8.387 0.130 25663 10163 1 20 . 1 1 54 54 LYS N N 54 112.641 112.641 119.462 -6.821 25663 10164 1 20 . 1 1 54 54 LYS HA H 54 3.857 3.857 3.865 -0.008 25663 10165 1 20 . 1 1 54 54 LYS C C 54 175.913 175.913 176.335 -0.422 25663 10166 1 20 . 1 1 54 54 LYS CA C 54 57.608 57.608 56.804 0.804 25663 10167 1 20 . 1 1 54 54 LYS CB C 54 29.796 29.796 30.339 -0.543 25663 10168 1 20 . 1 1 54 54 LYS H H 54 8.866 8.866 8.893 -0.027 25663 10169 1 20 . 1 1 55 55 GLY N N 55 104.227 104.227 104.353 -0.126 25663 10170 1 20 . 1 1 55 55 GLY C C 55 173.820 173.820 174.752 -0.932 25663 10171 1 20 . 1 1 55 55 GLY CA C 55 45.933 45.933 45.824 0.109 25663 10172 1 20 . 1 1 55 55 GLY H H 55 8.239 8.239 8.433 -0.194 25663 10173 1 20 . 1 1 56 56 ARG N N 56 122.045 122.045 119.856 2.189 25663 10174 1 20 . 1 1 56 56 ARG HA H 56 4.771 4.771 4.320 0.451 25663 10175 1 20 . 1 1 56 56 ARG C C 56 173.828 173.828 174.681 -0.853 25663 10176 1 20 . 1 1 56 56 ARG CA C 56 55.010 55.010 57.147 -2.137 25663 10177 1 20 . 1 1 56 56 ARG CB C 56 31.939 31.939 31.599 0.340 25663 10178 1 20 . 1 1 56 56 ARG H H 56 6.825 6.825 7.796 -0.971 25663 10179 1 20 . 1 1 57 57 VAL N N 57 122.581 122.581 122.063 0.518 25663 10180 1 20 . 1 1 57 57 VAL HA H 57 4.632 4.632 4.935 -0.303 25663 10181 1 20 . 1 1 57 57 VAL C C 57 173.775 173.775 174.171 -0.396 25663 10182 1 20 . 1 1 57 57 VAL CA C 57 59.946 59.946 59.528 0.418 25663 10183 1 20 . 1 1 57 57 VAL CB C 57 35.191 35.191 35.354 -0.163 25663 10184 1 20 . 1 1 57 57 VAL H H 57 7.084 7.084 8.163 -1.079 25663 10185 1 20 . 1 1 58 58 GLY N N 58 112.994 112.994 113.233 -0.239 25663 10186 1 20 . 1 1 58 58 GLY C C 58 171.431 171.431 171.312 0.119 25663 10187 1 20 . 1 1 58 58 GLY CA C 58 46.285 46.285 46.045 0.240 25663 10188 1 20 . 1 1 58 58 GLY H H 58 8.112 8.112 7.797 0.315 25663 10189 1 20 . 1 1 59 59 TYR N N 59 111.540 111.540 115.316 -3.776 25663 10190 1 20 . 1 1 59 59 TYR HA H 59 4.337 4.337 5.185 -0.848 25663 10191 1 20 . 1 1 59 59 TYR CA C 59 55.972 55.972 54.907 1.065 25663 10192 1 20 . 1 1 59 59 TYR CB C 59 34.363 34.363 39.292 -4.929 25663 10193 1 20 . 1 1 59 59 TYR H H 59 7.796 7.796 8.098 -0.302 25663 10194 1 20 . 1 1 60 60 PRO HA H 60 4.497 4.497 4.596 -0.099 25663 10195 1 20 . 1 1 60 60 PRO CA C 60 62.231 62.231 63.021 -0.790 25663 10196 1 20 . 1 1 60 60 PRO CB C 60 33.314 33.314 32.275 1.039 25663 10197 1 20 . 1 1 61 61 ILE HA H 61 4.444 4.444 4.713 -0.269 25663 10198 1 20 . 1 1 61 61 ILE CA C 61 56.601 56.601 59.522 -2.921 25663 10199 1 20 . 1 1 61 61 ILE CB C 61 38.417 38.417 42.352 -3.936 25663 10200 1 20 . 1 1 62 62 VAL HA H 62 3.935 3.935 4.205 -0.270 25663 10201 1 20 . 1 1 62 62 VAL CA C 62 64.377 64.377 62.275 2.102 25663 10202 1 20 . 1 1 62 62 VAL CB C 62 34.087 34.087 33.053 1.034 25663 10203 1 20 . 1 1 62 62 VAL H H 62 11.229 11.229 8.960 2.269 25663 10204 1 20 . 1 1 63 63 LYS N N 63 122.578 122.578 120.231 2.347 25663 10205 1 20 . 1 1 63 63 LYS HA H 63 4.753 4.753 4.631 0.122 25663 10206 1 20 . 1 1 63 63 LYS CA C 63 52.473 52.473 53.463 -0.990 25663 10207 1 20 . 1 1 63 63 LYS CB C 63 32.983 32.983 33.990 -1.008 25663 10208 1 20 . 1 1 63 63 LYS H H 63 7.501 7.501 7.719 -0.218 25663 10209 1 20 . 1 1 64 64 PRO HA H 64 4.362 4.362 4.358 0.004 25663 10210 1 20 . 1 1 64 64 PRO CA C 64 63.124 63.124 63.144 -0.020 25663 10211 1 20 . 1 1 64 64 PRO CB C 64 32.121 32.121 32.329 -0.208 25663 10212 1 20 . 1 1 65 65 GLY CA C 65 45.512 45.512 43.670 1.842 25663 10213 1 20 . 1 1 65 65 GLY H H 65 8.377 8.377 8.439 -0.062 25663 10214 1 20 . 1 1 66 66 PRO HA H 66 4.010 4.010 4.294 -0.284 25663 10215 1 20 . 1 1 66 66 PRO C C 66 177.072 177.072 176.780 0.292 25663 10216 1 20 . 1 1 66 66 PRO CA C 66 64.765 64.765 64.328 0.437 25663 10217 1 20 . 1 1 66 66 PRO CB C 66 32.121 32.121 32.197 -0.076 25663 10218 1 20 . 1 1 67 67 ASN N N 67 114.419 114.419 115.569 -1.150 25663 10219 1 20 . 1 1 67 67 ASN HA H 67 4.995 4.995 4.692 0.303 25663 10220 1 20 . 1 1 67 67 ASN C C 67 173.872 173.872 174.752 -0.880 25663 10221 1 20 . 1 1 67 67 ASN CA C 67 52.349 52.349 52.429 -0.080 25663 10222 1 20 . 1 1 67 67 ASN CB C 67 38.955 38.955 37.215 1.740 25663 10223 1 20 . 1 1 67 67 ASN H H 67 8.330 8.330 8.514 -0.184 25663 10224 1 20 . 1 1 68 68 CYS N N 68 118.995 118.995 113.191 5.804 25663 10225 1 20 . 1 1 68 68 CYS HA H 68 5.034 5.034 4.686 0.348 25663 10226 1 20 . 1 1 68 68 CYS CA C 68 54.247 54.247 57.950 -3.703 25663 10227 1 20 . 1 1 68 68 CYS CB C 68 44.260 44.260 28.950 15.310 25663 10228 1 20 . 1 1 68 68 CYS H H 68 7.327 7.327 7.750 -0.423 25663 10229 1 20 . 1 1 70 70 PHE HA H 70 4.305 4.305 4.699 -0.394 25663 10230 1 20 . 1 1 70 70 PHE CA C 70 58.889 58.889 55.886 3.003 25663 10231 1 20 . 1 1 70 70 PHE CB C 70 36.557 36.557 38.198 -1.641 25663 10232 1 20 . 1 1 71 71 GLY N N 71 105.368 105.368 109.314 -3.946 25663 10233 1 20 . 1 1 71 71 GLY CA C 71 46.043 46.043 44.625 1.418 25663 10234 1 20 . 1 1 71 71 GLY H H 71 7.339 7.339 7.798 -0.459 25663 10235 1 20 . 1 1 72 72 LYS N N 72 120.404 120.404 120.035 0.369 25663 10236 1 20 . 1 1 72 72 LYS HA H 72 4.264 4.264 4.380 -0.116 25663 10237 1 20 . 1 1 72 72 LYS C C 72 175.440 175.440 176.350 -0.910 25663 10238 1 20 . 1 1 72 72 LYS CA C 72 56.413 56.413 56.465 -0.052 25663 10239 1 20 . 1 1 72 72 LYS CB C 72 33.686 33.686 32.551 1.135 25663 10240 1 20 . 1 1 72 72 LYS H H 72 6.946 6.946 8.408 -1.462 25663 10241 1 20 . 1 1 73 73 THR N N 73 110.334 110.334 110.922 -0.588 25663 10242 1 20 . 1 1 73 73 THR HA H 73 4.233 4.233 4.455 -0.222 25663 10243 1 20 . 1 1 73 73 THR C C 73 173.774 173.774 174.395 -0.621 25663 10244 1 20 . 1 1 73 73 THR CA C 73 60.879 60.879 60.722 0.157 25663 10245 1 20 . 1 1 73 73 THR CB C 73 70.841 70.841 70.968 -0.127 25663 10246 1 20 . 1 1 73 73 THR H H 73 7.911 7.911 7.899 0.012 25663 10247 1 20 . 1 1 74 74 GLY N N 74 109.589 109.589 108.603 0.986 25663 10248 1 20 . 1 1 74 74 GLY C C 74 172.715 172.715 174.709 -1.994 25663 10249 1 20 . 1 1 74 74 GLY CA C 74 43.404 43.404 44.559 -1.155 25663 10250 1 20 . 1 1 74 74 GLY H H 74 7.904 7.904 8.199 -0.295 25663 10251 1 20 . 1 1 75 75 ILE N N 75 120.787 120.787 121.344 -0.557 25663 10252 1 20 . 1 1 75 75 ILE HA H 75 4.221 4.221 3.566 0.655 25663 10253 1 20 . 1 1 75 75 ILE C C 75 176.249 176.249 176.831 -0.582 25663 10254 1 20 . 1 1 75 75 ILE CA C 75 59.422 59.422 63.213 -3.791 25663 10255 1 20 . 1 1 75 75 ILE CB C 75 36.008 36.008 38.344 -2.336 25663 10256 1 20 . 1 1 75 75 ILE H H 75 8.265 8.265 8.318 -0.053 25663 10257 1 20 . 1 1 76 76 ILE N N 76 134.542 134.542 123.918 10.624 25663 10258 1 20 . 1 1 76 76 ILE HA H 76 3.587 3.587 4.158 -0.571 25663 10259 1 20 . 1 1 76 76 ILE C C 76 173.769 173.769 173.924 -0.155 25663 10260 1 20 . 1 1 76 76 ILE CA C 76 59.599 59.599 59.095 0.504 25663 10261 1 20 . 1 1 76 76 ILE CB C 76 33.139 33.139 38.219 -5.080 25663 10262 1 20 . 1 1 76 76 ILE H H 76 8.660 8.660 8.078 0.582 25663 10263 1 20 . 1 1 77 77 ASP N N 77 126.213 126.213 119.630 6.583 25663 10264 1 20 . 1 1 77 77 ASP HA H 77 4.790 4.790 4.267 0.523 25663 10265 1 20 . 1 1 77 77 ASP C C 77 176.390 176.390 175.235 1.155 25663 10266 1 20 . 1 1 77 77 ASP CA C 77 52.927 52.927 54.175 -1.248 25663 10267 1 20 . 1 1 77 77 ASP CB C 77 44.224 44.224 41.335 2.889 25663 10268 1 20 . 1 1 77 77 ASP H H 77 7.925 7.925 7.769 0.156 25663 10269 1 20 . 1 1 78 78 TYR N N 78 126.424 126.424 122.872 3.552 25663 10270 1 20 . 1 1 78 78 TYR HA H 78 4.780 4.780 4.466 0.314 25663 10271 1 20 . 1 1 78 78 TYR C C 78 177.025 177.025 176.496 0.529 25663 10272 1 20 . 1 1 78 78 TYR CA C 78 54.257 54.257 59.089 -4.832 25663 10273 1 20 . 1 1 78 78 TYR CB C 78 36.513 36.513 39.314 -2.801 25663 10274 1 20 . 1 1 78 78 TYR H H 78 9.313 9.313 7.739 1.574 25663 10275 1 20 . 1 1 79 79 GLY N N 79 110.776 110.776 106.802 3.974 25663 10276 1 20 . 1 1 79 79 GLY C C 79 172.389 172.389 173.911 -1.522 25663 10277 1 20 . 1 1 79 79 GLY CA C 79 44.317 44.317 44.612 -0.295 25663 10278 1 20 . 1 1 79 79 GLY H H 79 8.880 8.880 8.265 0.615 25663 10279 1 20 . 1 1 80 80 ILE N N 80 117.437 117.437 117.592 -0.155 25663 10280 1 20 . 1 1 80 80 ILE HA H 80 3.897 3.897 3.809 0.088 25663 10281 1 20 . 1 1 80 80 ILE C C 80 177.495 177.495 175.449 2.046 25663 10282 1 20 . 1 1 80 80 ILE CA C 80 61.293 61.293 62.279 -0.986 25663 10283 1 20 . 1 1 80 80 ILE CB C 80 36.412 36.412 36.613 -0.201 25663 10284 1 20 . 1 1 80 80 ILE H H 80 8.189 8.189 8.432 -0.243 25663 10285 1 20 . 1 1 81 81 ARG N N 81 128.585 128.585 125.314 3.271 25663 10286 1 20 . 1 1 81 81 ARG HA H 81 4.367 4.367 4.453 -0.086 25663 10287 1 20 . 1 1 81 81 ARG CA C 81 52.745 52.745 55.028 -2.283 25663 10288 1 20 . 1 1 81 81 ARG CB C 81 27.133 27.133 31.277 -4.144 25663 10289 1 20 . 1 1 81 81 ARG H H 81 8.367 8.367 8.471 -0.104 25663 10290 1 20 . 1 1 82 82 LEU HA H 82 4.145 4.145 4.327 -0.182 25663 10291 1 20 . 1 1 82 82 LEU C C 82 177.546 177.546 177.745 -0.199 25663 10292 1 20 . 1 1 82 82 LEU CA C 82 56.857 56.857 55.381 1.476 25663 10293 1 20 . 1 1 82 82 LEU CB C 82 42.266 42.266 41.835 0.431 25663 10294 1 20 . 1 1 82 82 LEU H H 82 8.226 8.226 8.573 -0.347 25663 10295 1 20 . 1 1 83 83 ASN N N 83 115.779 115.779 118.386 -2.607 25663 10296 1 20 . 1 1 83 83 ASN HA H 83 4.913 4.913 4.734 0.179 25663 10297 1 20 . 1 1 83 83 ASN C C 83 175.764 175.764 176.988 -1.224 25663 10298 1 20 . 1 1 83 83 ASN CA C 83 51.627 51.627 53.462 -1.835 25663 10299 1 20 . 1 1 83 83 ASN CB C 83 37.505 37.505 37.980 -0.475 25663 10300 1 20 . 1 1 83 83 ASN H H 83 8.628 8.628 8.502 0.126 25663 10301 1 20 . 1 1 84 84 ARG N N 84 121.554 121.554 118.718 2.836 25663 10302 1 20 . 1 1 84 84 ARG HA H 84 4.637 4.637 3.629 1.008 25663 10303 1 20 . 1 1 84 84 ARG C C 84 177.197 177.197 177.064 0.133 25663 10304 1 20 . 1 1 84 84 ARG CA C 84 56.695 56.695 58.558 -1.863 25663 10305 1 20 . 1 1 84 84 ARG CB C 84 29.361 29.361 29.453 -0.092 25663 10306 1 20 . 1 1 84 84 ARG H H 84 8.593 8.593 8.203 0.390 25663 10307 1 20 . 1 1 85 85 SER N N 85 116.623 116.623 113.794 2.829 25663 10308 1 20 . 1 1 85 85 SER HA H 85 4.628 4.628 4.569 0.058 25663 10309 1 20 . 1 1 85 85 SER C C 85 174.403 174.403 175.159 -0.756 25663 10310 1 20 . 1 1 85 85 SER CA C 85 58.827 58.827 59.743 -0.916 25663 10311 1 20 . 1 1 85 85 SER CB C 85 62.996 62.996 63.926 -0.930 25663 10312 1 20 . 1 1 85 85 SER H H 85 8.567 8.567 8.128 0.439 25663 10313 1 20 . 1 1 86 86 GLU N N 86 121.171 121.171 121.685 -0.514 25663 10314 1 20 . 1 1 86 86 GLU HA H 86 3.864 3.864 4.337 -0.473 25663 10315 1 20 . 1 1 86 86 GLU C C 86 174.422 174.422 175.581 -1.159 25663 10316 1 20 . 1 1 86 86 GLU CA C 86 57.520 57.520 56.670 0.850 25663 10317 1 20 . 1 1 86 86 GLU CB C 86 31.292 31.292 30.638 0.654 25663 10318 1 20 . 1 1 86 86 GLU H H 86 7.219 7.219 7.863 -0.644 25663 10319 1 20 . 1 1 87 87 ARG N N 87 118.124 118.124 120.659 -2.535 25663 10320 1 20 . 1 1 87 87 ARG HA H 87 4.687 4.687 4.598 0.089 25663 10321 1 20 . 1 1 87 87 ARG C C 87 173.408 173.408 175.535 -2.127 25663 10322 1 20 . 1 1 87 87 ARG CA C 87 54.387 54.387 56.474 -2.087 25663 10323 1 20 . 1 1 87 87 ARG CB C 87 31.544 31.544 31.973 -0.429 25663 10324 1 20 . 1 1 87 87 ARG H H 87 7.263 7.263 8.515 -1.252 25663 10325 1 20 . 1 1 88 88 TRP N N 88 121.383 121.383 121.926 -0.543 25663 10326 1 20 . 1 1 88 88 TRP HA H 88 4.899 4.899 4.950 -0.051 25663 10327 1 20 . 1 1 88 88 TRP CA C 88 54.508 54.508 57.220 -2.712 25663 10328 1 20 . 1 1 88 88 TRP CB C 88 33.610 33.610 32.198 1.412 25663 10329 1 20 . 1 1 88 88 TRP H H 88 8.811 8.811 9.303 -0.492 25663 10330 1 20 . 1 1 89 89 ASP N N 89 119.285 119.285 119.592 -0.307 25663 10331 1 20 . 1 1 89 89 ASP HA H 89 5.602 5.602 5.005 0.597 25663 10332 1 20 . 1 1 89 89 ASP C C 89 173.648 173.648 175.027 -1.379 25663 10333 1 20 . 1 1 89 89 ASP CA C 89 54.558 54.558 53.800 0.758 25663 10334 1 20 . 1 1 89 89 ASP CB C 89 40.438 40.438 43.155 -2.717 25663 10335 1 20 . 1 1 89 89 ASP H H 89 8.552 8.552 8.333 0.219 25663 10336 1 20 . 1 1 90 90 ALA N N 90 121.014 121.014 118.346 2.668 25663 10337 1 20 . 1 1 90 90 ALA HA H 90 5.095 5.095 4.754 0.341 25663 10338 1 20 . 1 1 90 90 ALA C C 90 175.076 175.076 174.834 0.242 25663 10339 1 20 . 1 1 90 90 ALA CA C 90 52.089 52.089 51.808 0.281 25663 10340 1 20 . 1 1 90 90 ALA CB C 90 23.118 23.118 21.866 1.252 25663 10341 1 20 . 1 1 90 90 ALA H H 90 8.449 8.449 7.930 0.519 25663 10342 1 20 . 1 1 91 91 TYR N N 91 118.243 118.243 116.666 1.577 25663 10343 1 20 . 1 1 91 91 TYR HA H 91 5.072 5.072 5.034 0.038 25663 10344 1 20 . 1 1 91 91 TYR C C 91 174.671 174.671 175.107 -0.436 25663 10345 1 20 . 1 1 91 91 TYR CA C 91 58.787 58.787 57.303 1.484 25663 10346 1 20 . 1 1 91 91 TYR CB C 91 40.686 40.686 41.789 -1.103 25663 10347 1 20 . 1 1 91 91 TYR H H 91 8.421 8.421 8.595 -0.174 25663 10348 1 20 . 1 1 92 92 CYS N N 92 119.931 119.931 121.741 -1.810 25663 10349 1 20 . 1 1 92 92 CYS HA H 92 5.263 5.263 5.153 0.110 25663 10350 1 20 . 1 1 92 92 CYS C C 92 172.698 172.698 173.193 -0.495 25663 10351 1 20 . 1 1 92 92 CYS CA C 92 50.601 50.601 58.712 -8.111 25663 10352 1 20 . 1 1 92 92 CYS CB C 92 37.818 37.818 30.270 7.548 25663 10353 1 20 . 1 1 92 92 CYS H H 92 8.459 8.459 8.891 -0.432 25663 10354 1 20 . 1 1 93 93 TYR N N 93 120.805 120.805 124.012 -3.207 25663 10355 1 20 . 1 1 93 93 TYR HA H 93 4.903 4.903 4.793 0.110 25663 10356 1 20 . 1 1 93 93 TYR C C 93 173.902 173.902 173.479 0.423 25663 10357 1 20 . 1 1 93 93 TYR CA C 93 57.096 57.096 57.467 -0.371 25663 10358 1 20 . 1 1 93 93 TYR CB C 93 41.665 41.665 41.721 -0.056 25663 10359 1 20 . 1 1 93 93 TYR H H 93 9.410 9.410 8.833 0.577 25663 10360 1 20 . 1 1 94 94 ASN N N 94 124.511 124.511 122.812 1.699 25663 10361 1 20 . 1 1 94 94 ASN HA H 94 4.774 4.774 4.921 -0.147 25663 10362 1 20 . 1 1 94 94 ASN CA C 94 49.599 49.599 51.042 -1.443 25663 10363 1 20 . 1 1 94 94 ASN CB C 94 41.642 41.642 41.789 -0.147 25663 10364 1 20 . 1 1 94 94 ASN H H 94 7.832 7.832 7.776 0.056 25663 10365 1 20 . 1 1 95 95 PRO HA H 95 4.141 4.141 4.446 -0.305 25663 10366 1 20 . 1 1 95 95 PRO C C 95 176.345 176.345 176.160 0.185 25663 10367 1 20 . 1 1 95 95 PRO CA C 95 63.800 63.800 62.809 0.991 25663 10368 1 20 . 1 1 95 95 PRO CB C 95 32.046 32.046 32.608 -0.562 25663 10369 1 20 . 1 1 96 96 HIS N N 96 116.009 116.009 120.062 -4.053 25663 10370 1 20 . 1 1 96 96 HIS HA H 96 4.623 4.623 4.121 0.502 25663 10371 1 20 . 1 1 96 96 HIS C C 96 173.999 173.999 174.193 -0.194 25663 10372 1 20 . 1 1 96 96 HIS CA C 96 55.046 55.046 57.922 -2.876 25663 10373 1 20 . 1 1 96 96 HIS CB C 96 28.821 28.821 28.645 0.176 25663 10374 1 20 . 1 1 96 96 HIS H H 96 8.354 8.354 8.746 -0.392 25663 10375 1 20 . 1 1 97 97 ALA N N 97 123.775 123.775 128.049 -4.274 25663 10376 1 20 . 1 1 97 97 ALA HA H 97 4.269 4.269 4.216 0.053 25663 10377 1 20 . 1 1 97 97 ALA C C 97 176.350 176.350 175.809 0.541 25663 10378 1 20 . 1 1 97 97 ALA CA C 97 51.796 51.796 52.346 -0.550 25663 10379 1 20 . 1 1 97 97 ALA CB C 97 19.648 19.648 20.517 -0.869 25663 10380 1 20 . 1 1 97 97 ALA H H 97 7.387 7.387 8.259 -0.872 25663 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 86 3.668 -0.349 3.673 25663 2 1 1 "Average Difference" HA 106 0.463 -0.010 0.465 25663 3 1 1 "Average Difference" C 81 1.314 0.066 1.321 25663 4 1 1 "Average Difference" CA 95 1.695 0.529 1.619 25663 5 1 1 "Average Difference" CB 84 3.375 -0.315 3.381 25663 6 1 1 "Average Difference" HN 89 0.671 -0.111 0.666 25663 7 1 2 "Average Difference" N 86 4.091 -0.668 4.060 25663 8 1 2 "Average Difference" HA 106 0.435 0.006 0.437 25663 9 1 2 "Average Difference" C 81 1.340 0.066 1.347 25663 10 1 2 "Average Difference" CA 95 1.647 0.373 1.613 25663 11 1 2 "Average Difference" CB 84 3.242 -0.266 3.250 25663 12 1 2 "Average Difference" HN 89 0.683 -0.146 0.671 25663 13 1 3 "Average Difference" N 86 3.326 0.037 3.346 25663 14 1 3 "Average Difference" HA 106 0.426 -0.008 0.428 25663 15 1 3 "Average Difference" C 81 1.319 0.091 1.324 25663 16 1 3 "Average Difference" CA 95 1.675 0.523 1.600 25663 17 1 3 "Average Difference" CB 84 3.168 -0.423 3.158 25663 18 1 3 "Average Difference" HN 89 0.682 -0.061 0.683 25663 19 1 4 "Average Difference" N 86 3.468 0.107 3.486 25663 20 1 4 "Average Difference" HA 106 0.422 0.006 0.424 25663 21 1 4 "Average Difference" C 81 1.323 0.117 1.326 25663 22 1 4 "Average Difference" CA 95 1.625 0.449 1.570 25663 23 1 4 "Average Difference" CB 84 3.367 -0.472 3.354 25663 24 1 4 "Average Difference" HN 89 0.731 -0.089 0.729 25663 25 1 5 "Average Difference" N 86 3.475 0.291 3.483 25663 26 1 5 "Average Difference" HA 106 0.447 -0.009 0.449 25663 27 1 5 "Average Difference" C 81 1.287 0.113 1.290 25663 28 1 5 "Average Difference" CA 95 1.666 0.501 1.597 25663 29 1 5 "Average Difference" CB 84 3.345 -0.455 3.334 25663 30 1 5 "Average Difference" HN 89 0.669 -0.011 0.673 25663 31 1 6 "Average Difference" N 86 3.413 0.015 3.433 25663 32 1 6 "Average Difference" HA 106 0.393 0.016 0.394 25663 33 1 6 "Average Difference" C 81 1.310 0.022 1.318 25663 34 1 6 "Average Difference" CA 95 1.531 0.456 1.470 25663 35 1 6 "Average Difference" CB 84 3.298 -0.495 3.281 25663 36 1 6 "Average Difference" HN 89 0.771 -0.124 0.765 25663 37 1 7 "Average Difference" N 86 3.332 0.222 3.344 25663 38 1 7 "Average Difference" HA 106 0.405 0.016 0.407 25663 39 1 7 "Average Difference" C 81 1.185 0.017 1.193 25663 40 1 7 "Average Difference" CA 95 1.589 0.431 1.537 25663 41 1 7 "Average Difference" CB 84 3.194 -0.456 3.180 25663 42 1 7 "Average Difference" HN 89 0.718 -0.093 0.716 25663 43 1 8 "Average Difference" N 86 3.577 0.426 3.573 25663 44 1 8 "Average Difference" HA 106 0.444 -0.037 0.444 25663 45 1 8 "Average Difference" C 81 1.398 0.064 1.405 25663 46 1 8 "Average Difference" CA 95 1.614 0.381 1.577 25663 47 1 8 "Average Difference" CB 84 3.328 -0.430 3.319 25663 48 1 8 "Average Difference" HN 89 0.808 -0.149 0.798 25663 49 1 9 "Average Difference" N 86 3.334 -0.067 3.353 25663 50 1 9 "Average Difference" HA 106 0.401 -0.015 0.402 25663 51 1 9 "Average Difference" C 81 1.307 0.130 1.309 25663 52 1 9 "Average Difference" CA 95 1.775 0.452 1.725 25663 53 1 9 "Average Difference" CB 84 3.203 -0.657 3.154 25663 54 1 9 "Average Difference" HN 89 0.692 -0.054 0.694 25663 55 1 10 "Average Difference" N 86 3.654 0.175 3.671 25663 56 1 10 "Average Difference" HA 106 0.437 -0.033 0.438 25663 57 1 10 "Average Difference" C 81 1.407 0.102 1.412 25663 58 1 10 "Average Difference" CA 95 1.643 0.461 1.585 25663 59 1 10 "Average Difference" CB 84 3.173 -0.335 3.175 25663 60 1 10 "Average Difference" HN 89 0.708 -0.044 0.711 25663 61 1 11 "Average Difference" N 86 3.464 0.224 3.477 25663 62 1 11 "Average Difference" HA 106 0.447 0.016 0.449 25663 63 1 11 "Average Difference" C 81 1.350 0.055 1.358 25663 64 1 11 "Average Difference" CA 95 1.603 0.411 1.558 25663 65 1 11 "Average Difference" CB 84 3.276 -0.423 3.268 25663 66 1 11 "Average Difference" HN 89 0.773 -0.112 0.769 25663 67 1 12 "Average Difference" N 86 3.912 -0.098 3.933 25663 68 1 12 "Average Difference" HA 106 0.429 0.018 0.431 25663 69 1 12 "Average Difference" C 81 1.331 0.065 1.338 25663 70 1 12 "Average Difference" CA 95 1.575 0.371 1.539 25663 71 1 12 "Average Difference" CB 84 3.157 -0.389 3.152 25663 72 1 12 "Average Difference" HN 89 0.704 -0.109 0.699 25663 73 1 13 "Average Difference" N 86 3.857 -0.163 3.877 25663 74 1 13 "Average Difference" HA 106 0.449 0.018 0.451 25663 75 1 13 "Average Difference" C 81 1.353 0.132 1.355 25663 76 1 13 "Average Difference" CA 95 1.602 0.481 1.536 25663 77 1 13 "Average Difference" CB 84 3.327 -0.504 3.309 25663 78 1 13 "Average Difference" HN 89 0.764 -0.143 0.755 25663 79 1 14 "Average Difference" N 86 3.436 -0.162 3.452 25663 80 1 14 "Average Difference" HA 106 0.386 0.017 0.388 25663 81 1 14 "Average Difference" C 81 1.368 0.174 1.365 25663 82 1 14 "Average Difference" CA 95 1.608 0.502 1.536 25663 83 1 14 "Average Difference" CB 84 3.248 -0.574 3.216 25663 84 1 14 "Average Difference" HN 89 0.690 -0.094 0.687 25663 85 1 15 "Average Difference" N 86 3.679 -0.030 3.701 25663 86 1 15 "Average Difference" HA 106 0.409 -0.021 0.410 25663 87 1 15 "Average Difference" C 81 1.409 0.179 1.406 25663 88 1 15 "Average Difference" CA 95 1.604 0.422 1.555 25663 89 1 15 "Average Difference" CB 84 3.341 -0.548 3.315 25663 90 1 15 "Average Difference" HN 89 0.756 -0.099 0.754 25663 91 1 16 "Average Difference" N 86 3.370 0.095 3.389 25663 92 1 16 "Average Difference" HA 106 0.413 0.009 0.415 25663 93 1 16 "Average Difference" C 81 1.370 0.004 1.378 25663 94 1 16 "Average Difference" CA 95 1.668 0.331 1.644 25663 95 1 16 "Average Difference" CB 84 3.396 -0.470 3.384 25663 96 1 16 "Average Difference" HN 89 0.693 -0.070 0.694 25663 97 1 17 "Average Difference" N 86 3.885 -0.050 3.908 25663 98 1 17 "Average Difference" HA 106 0.411 -0.023 0.413 25663 99 1 17 "Average Difference" C 81 1.368 0.117 1.371 25663 100 1 17 "Average Difference" CA 95 1.676 0.474 1.616 25663 101 1 17 "Average Difference" CB 84 3.195 -0.428 3.185 25663 102 1 17 "Average Difference" HN 89 0.723 -0.119 0.717 25663 103 1 18 "Average Difference" N 86 3.199 -0.071 3.217 25663 104 1 18 "Average Difference" HA 106 0.450 0.044 0.450 25663 105 1 18 "Average Difference" C 81 1.310 0.007 1.318 25663 106 1 18 "Average Difference" CA 95 1.658 0.396 1.618 25663 107 1 18 "Average Difference" CB 84 3.225 -0.218 3.237 25663 108 1 18 "Average Difference" HN 89 0.750 -0.164 0.735 25663 109 1 19 "Average Difference" N 86 3.692 -0.083 3.713 25663 110 1 19 "Average Difference" HA 106 0.450 -0.011 0.452 25663 111 1 19 "Average Difference" C 81 1.380 0.075 1.386 25663 112 1 19 "Average Difference" CA 95 1.583 0.459 1.523 25663 113 1 19 "Average Difference" CB 84 3.175 -0.395 3.170 25663 114 1 19 "Average Difference" HN 89 0.693 -0.071 0.693 25663 115 1 20 "Average Difference" N 86 3.613 -0.179 3.630 25663 116 1 20 "Average Difference" HA 106 0.431 0.016 0.433 25663 117 1 20 "Average Difference" C 81 1.414 0.112 1.418 25663 118 1 20 "Average Difference" CA 95 1.729 0.418 1.686 25663 119 1 20 "Average Difference" CB 84 3.269 -0.361 3.269 25663 120 1 20 "Average Difference" HN 89 0.707 -0.096 0.704 25663 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 25663 _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 VAL N N 2 122.742 122.742 120.320 2.422 25663 2 1 . 1 1 2 2 VAL HA H 2 5.257 5.257 4.396 0.861 25663 3 1 . 1 1 2 2 VAL C C 2 174.533 174.533 175.149 -0.616 25663 4 1 . 1 1 2 2 VAL CA C 2 60.536 60.536 61.487 -0.951 25663 5 1 . 1 1 2 2 VAL CB C 2 33.278 33.278 32.782 0.496 25663 6 1 . 1 1 2 2 VAL H H 2 8.486 8.486 7.846 0.640 25663 7 1 . 1 1 3 3 TYR N N 3 120.172 120.172 124.091 -3.919 25663 8 1 . 1 1 3 3 TYR HA H 3 4.964 4.964 4.999 -0.035 25663 9 1 . 1 1 3 3 TYR C C 3 173.399 173.399 174.061 -0.662 25663 10 1 . 1 1 3 3 TYR CA C 3 56.073 56.073 56.347 -0.274 25663 11 1 . 1 1 3 3 TYR CB C 3 40.278 40.278 40.702 -0.424 25663 12 1 . 1 1 3 3 TYR H H 3 8.715 8.715 8.255 0.460 25663 13 1 . 1 1 4 4 HIS N N 4 121.237 121.237 121.682 -0.445 25663 14 1 . 1 1 4 4 HIS HA H 4 4.929 4.929 4.868 0.061 25663 15 1 . 1 1 4 4 HIS C C 4 172.844 172.844 174.610 -1.766 25663 16 1 . 1 1 4 4 HIS CA C 4 54.154 54.154 55.847 -1.693 25663 17 1 . 1 1 4 4 HIS CB C 4 30.961 30.961 30.613 0.348 25663 18 1 . 1 1 4 4 HIS H H 4 9.414 9.414 8.469 0.945 25663 19 1 . 1 1 5 5 ARG N N 5 128.770 128.770 124.176 4.594 25663 20 1 . 1 1 5 5 ARG HA H 5 4.619 4.619 4.607 0.012 25663 21 1 . 1 1 5 5 ARG C C 5 172.967 172.967 174.454 -1.487 25663 22 1 . 1 1 5 5 ARG CA C 5 53.177 53.177 55.171 -1.994 25663 23 1 . 1 1 5 5 ARG CB C 5 33.832 33.832 32.701 1.131 25663 24 1 . 1 1 5 5 ARG H H 5 8.805 8.805 8.502 0.303 25663 25 1 . 1 1 6 6 GLU N N 6 121.037 121.037 122.287 -1.250 25663 26 1 . 1 1 6 6 GLU HA H 6 4.490 4.490 4.568 -0.078 25663 27 1 . 1 1 6 6 GLU C C 6 176.264 176.264 175.063 1.201 25663 28 1 . 1 1 6 6 GLU CA C 6 53.336 53.336 55.281 -1.945 25663 29 1 . 1 1 6 6 GLU CB C 6 33.133 33.133 31.978 1.155 25663 30 1 . 1 1 6 6 GLU H H 6 8.232 8.232 8.506 -0.274 25663 31 1 . 1 1 7 7 ALA N N 7 123.438 123.438 125.801 -2.363 25663 32 1 . 1 1 7 7 ALA HA H 7 4.215 4.215 4.330 -0.115 25663 33 1 . 1 1 7 7 ALA C C 7 178.419 178.419 177.988 0.431 25663 34 1 . 1 1 7 7 ALA CA C 7 52.182 52.182 52.468 -0.286 25663 35 1 . 1 1 7 7 ALA CB C 7 20.128 20.128 19.608 0.520 25663 36 1 . 1 1 7 7 ALA H H 7 8.756 8.756 8.514 0.242 25663 37 1 . 1 1 8 8 ARG N N 8 122.559 122.559 121.248 1.311 25663 38 1 . 1 1 8 8 ARG HA H 8 3.998 3.998 4.149 -0.151 25663 39 1 . 1 1 8 8 ARG C C 8 177.448 177.448 177.006 0.443 25663 40 1 . 1 1 8 8 ARG CA C 8 58.660 58.660 58.050 0.610 25663 41 1 . 1 1 8 8 ARG CB C 8 29.406 29.406 30.287 -0.880 25663 42 1 . 1 1 8 8 ARG H H 8 8.945 8.945 8.697 0.248 25663 43 1 . 1 1 9 9 SER N N 9 107.309 107.309 113.532 -6.223 25663 44 1 . 1 1 9 9 SER HA H 9 4.261 4.261 4.507 -0.246 25663 45 1 . 1 1 9 9 SER C C 9 174.411 174.411 174.243 0.168 25663 46 1 . 1 1 9 9 SER CA C 9 58.081 58.081 58.109 -0.028 25663 47 1 . 1 1 9 9 SER CB C 9 62.972 62.972 63.794 -0.822 25663 48 1 . 1 1 9 9 SER H H 9 7.445 7.445 8.070 -0.625 25663 49 1 . 1 1 10 10 GLY N N 10 109.574 109.574 109.455 0.119 25663 50 1 . 1 1 10 10 GLY C C 10 171.580 171.580 173.219 -1.639 25663 51 1 . 1 1 10 10 GLY CA C 10 44.036 44.036 45.137 -1.101 25663 52 1 . 1 1 10 10 GLY H H 10 7.379 7.379 7.485 -0.106 25663 53 1 . 1 1 11 11 LYS N N 11 121.683 121.683 119.072 2.611 25663 54 1 . 1 1 11 11 LYS HA H 11 3.993 3.993 4.202 -0.209 25663 55 1 . 1 1 11 11 LYS C C 11 175.995 175.995 175.101 0.894 25663 56 1 . 1 1 11 11 LYS CA C 11 57.374 57.374 56.162 1.212 25663 57 1 . 1 1 11 11 LYS CB C 11 34.009 34.009 33.418 0.591 25663 58 1 . 1 1 11 11 LYS H H 11 8.040 8.040 8.071 -0.031 25663 59 1 . 1 1 12 12 TYR N N 12 122.956 122.956 117.577 5.379 25663 60 1 . 1 1 12 12 TYR HA H 12 3.990 3.990 4.448 -0.458 25663 61 1 . 1 1 12 12 TYR C C 12 173.905 173.905 175.138 -1.234 25663 62 1 . 1 1 12 12 TYR CA C 12 54.397 54.397 58.139 -3.742 25663 63 1 . 1 1 12 12 TYR CB C 12 32.105 32.105 37.160 -5.055 25663 64 1 . 1 1 12 12 TYR H H 12 9.830 9.830 8.184 1.646 25663 65 1 . 1 1 13 13 LYS N N 13 114.683 114.683 119.938 -5.255 25663 66 1 . 1 1 13 13 LYS HA H 13 4.577 4.577 4.486 0.091 25663 67 1 . 1 1 13 13 LYS C C 13 176.999 176.999 175.031 1.968 25663 68 1 . 1 1 13 13 LYS CA C 13 55.014 55.014 55.886 -0.872 25663 69 1 . 1 1 13 13 LYS CB C 13 35.021 35.021 32.711 2.310 25663 70 1 . 1 1 13 13 LYS H H 13 8.445 8.445 8.196 0.249 25663 71 1 . 1 1 14 14 LEU N N 14 123.176 123.176 121.637 1.539 25663 72 1 . 1 1 14 14 LEU HA H 14 5.122 5.122 4.910 0.212 25663 73 1 . 1 1 14 14 LEU C C 14 178.304 178.304 176.080 2.224 25663 74 1 . 1 1 14 14 LEU CA C 14 54.800 54.800 53.691 1.109 25663 75 1 . 1 1 14 14 LEU CB C 14 43.528 43.528 44.622 -1.094 25663 76 1 . 1 1 14 14 LEU H H 14 9.479 9.479 7.854 1.625 25663 77 1 . 1 1 15 15 THR N N 15 116.144 116.144 116.230 -0.086 25663 78 1 . 1 1 15 15 THR HA H 15 5.485 5.485 4.740 0.746 25663 79 1 . 1 1 15 15 THR C C 15 174.697 174.697 175.190 -0.493 25663 80 1 . 1 1 15 15 THR CA C 15 61.722 61.722 60.028 1.694 25663 81 1 . 1 1 15 15 THR CB C 15 70.914 70.914 71.339 -0.425 25663 82 1 . 1 1 15 15 THR H H 15 8.792 8.792 8.369 0.423 25663 83 1 . 1 1 16 16 TYR N N 16 120.594 120.594 122.603 -2.009 25663 84 1 . 1 1 16 16 TYR HA H 16 2.375 2.375 3.911 -1.536 25663 85 1 . 1 1 16 16 TYR C C 16 176.133 176.133 176.889 -0.756 25663 86 1 . 1 1 16 16 TYR CA C 16 61.408 61.408 62.167 -0.759 25663 87 1 . 1 1 16 16 TYR CB C 16 36.889 36.889 37.150 -0.261 25663 88 1 . 1 1 16 16 TYR H H 16 7.402 7.402 8.483 -1.081 25663 89 1 . 1 1 17 17 ALA N N 17 118.108 118.108 120.343 -2.236 25663 90 1 . 1 1 17 17 ALA HA H 17 3.509 3.509 3.744 -0.235 25663 91 1 . 1 1 17 17 ALA C C 17 181.575 181.575 179.533 2.042 25663 92 1 . 1 1 17 17 ALA CA C 17 54.732 54.732 54.761 -0.029 25663 93 1 . 1 1 17 17 ALA CB C 17 18.124 18.124 17.805 0.319 25663 94 1 . 1 1 17 17 ALA H H 17 8.545 8.545 7.591 0.954 25663 95 1 . 1 1 18 18 GLU N N 18 117.696 117.696 118.642 -0.946 25663 96 1 . 1 1 18 18 GLU HA H 18 3.879 3.879 3.976 -0.097 25663 97 1 . 1 1 18 18 GLU C C 18 178.624 178.624 178.787 -0.163 25663 98 1 . 1 1 18 18 GLU CA C 18 58.432 58.432 58.805 -0.373 25663 99 1 . 1 1 18 18 GLU CB C 18 30.814 30.814 29.382 1.432 25663 100 1 . 1 1 18 18 GLU H H 18 7.327 7.327 7.589 -0.262 25663 101 1 . 1 1 19 19 ALA N N 19 124.629 124.629 122.060 2.569 25663 102 1 . 1 1 19 19 ALA HA H 19 3.871 3.871 3.999 -0.128 25663 103 1 . 1 1 19 19 ALA C C 19 177.371 177.371 179.472 -2.101 25663 104 1 . 1 1 19 19 ALA CA C 19 54.955 54.955 55.218 -0.263 25663 105 1 . 1 1 19 19 ALA CB C 19 19.893 19.893 18.357 1.536 25663 106 1 . 1 1 19 19 ALA H H 19 8.744 8.744 8.360 0.384 25663 107 1 . 1 1 20 20 LYS N N 20 117.842 117.842 117.228 0.614 25663 108 1 . 1 1 20 20 LYS HA H 20 3.435 3.435 4.036 -0.601 25663 109 1 . 1 1 20 20 LYS C C 20 178.017 178.017 177.818 0.199 25663 110 1 . 1 1 20 20 LYS CA C 20 60.086 60.086 58.791 1.295 25663 111 1 . 1 1 20 20 LYS CB C 20 33.186 33.186 32.275 0.911 25663 112 1 . 1 1 20 20 LYS H H 20 8.188 8.188 7.704 0.484 25663 113 1 . 1 1 21 21 ALA N N 21 117.564 117.564 121.288 -3.724 25663 114 1 . 1 1 21 21 ALA HA H 21 4.040 4.040 4.157 -0.117 25663 115 1 . 1 1 21 21 ALA C C 21 180.598 180.598 179.339 1.259 25663 116 1 . 1 1 21 21 ALA CA C 21 54.991 54.991 54.631 0.360 25663 117 1 . 1 1 21 21 ALA CB C 21 18.071 18.071 18.735 -0.664 25663 118 1 . 1 1 21 21 ALA H H 21 7.382 7.382 7.473 -0.091 25663 119 1 . 1 1 22 22 VAL N N 22 120.351 120.351 115.034 5.317 25663 120 1 . 1 1 22 22 VAL HA H 22 3.883 3.883 3.836 0.047 25663 121 1 . 1 1 22 22 VAL C C 22 177.921 177.921 176.306 1.615 25663 122 1 . 1 1 22 22 VAL CA C 22 66.242 66.242 64.909 1.333 25663 123 1 . 1 1 22 22 VAL CB C 22 31.136 31.136 31.827 -0.691 25663 124 1 . 1 1 22 22 VAL H H 22 8.203 8.203 7.576 0.627 25663 125 1 . 1 1 23 23 CYS N N 23 116.368 116.368 116.435 -0.067 25663 126 1 . 1 1 23 23 CYS HA H 23 4.352 4.352 4.698 -0.346 25663 127 1 . 1 1 23 23 CYS C C 23 178.687 178.687 174.537 4.150 25663 128 1 . 1 1 23 23 CYS CA C 23 55.224 55.224 58.288 -3.064 25663 129 1 . 1 1 23 23 CYS CB C 23 33.542 33.542 29.445 4.097 25663 130 1 . 1 1 23 23 CYS H H 23 7.788 7.788 7.731 0.057 25663 131 1 . 1 1 24 24 GLU N N 24 120.341 120.341 118.801 1.540 25663 132 1 . 1 1 24 24 GLU HA H 24 4.259 4.259 3.993 0.266 25663 133 1 . 1 1 24 24 GLU C C 24 180.516 180.516 177.543 2.973 25663 134 1 . 1 1 24 24 GLU CA C 24 58.412 58.412 58.717 -0.305 25663 135 1 . 1 1 24 24 GLU CB C 24 28.855 28.855 28.924 -0.069 25663 136 1 . 1 1 24 24 GLU H H 24 8.196 8.196 8.913 -0.717 25663 137 1 . 1 1 25 25 PHE N N 25 124.937 124.937 120.064 4.873 25663 138 1 . 1 1 25 25 PHE HA H 25 4.267 4.267 4.243 0.024 25663 139 1 . 1 1 25 25 PHE C C 25 177.593 177.593 176.288 1.305 25663 140 1 . 1 1 25 25 PHE CA C 25 60.845 60.845 60.824 0.022 25663 141 1 . 1 1 25 25 PHE CB C 25 39.035 39.035 39.352 -0.317 25663 142 1 . 1 1 25 25 PHE H H 25 8.946 8.946 8.322 0.624 25663 143 1 . 1 1 26 26 GLU N N 26 114.486 114.486 118.354 -3.868 25663 144 1 . 1 1 26 26 GLU HA H 26 4.090 4.090 4.244 -0.154 25663 145 1 . 1 1 26 26 GLU C C 26 175.712 175.712 177.251 -1.539 25663 146 1 . 1 1 26 26 GLU CA C 26 56.249 56.249 56.061 0.188 25663 147 1 . 1 1 26 26 GLU CB C 26 29.418 29.418 28.867 0.551 25663 148 1 . 1 1 26 26 GLU H H 26 7.359 7.359 8.356 -0.997 25663 149 1 . 1 1 27 27 GLY N N 27 106.503 106.503 108.025 -1.522 25663 150 1 . 1 1 27 27 GLY C C 27 174.107 174.107 174.640 -0.533 25663 151 1 . 1 1 27 27 GLY CA C 27 45.426 45.426 45.074 0.352 25663 152 1 . 1 1 27 27 GLY H H 27 7.695 7.695 7.769 -0.074 25663 153 1 . 1 1 28 28 GLY N N 28 109.515 109.515 108.207 1.308 25663 154 1 . 1 1 28 28 GLY C C 28 172.079 172.079 173.144 -1.065 25663 155 1 . 1 1 28 28 GLY CA C 28 43.788 43.788 44.244 -0.456 25663 156 1 . 1 1 28 28 GLY H H 28 7.745 7.745 7.954 -0.210 25663 157 1 . 1 1 29 29 HIS N N 29 116.220 116.220 117.180 -0.960 25663 158 1 . 1 1 29 29 HIS HA H 29 4.865 4.865 4.797 0.068 25663 159 1 . 1 1 29 29 HIS C C 29 174.118 174.118 174.266 -0.148 25663 160 1 . 1 1 29 29 HIS CA C 29 54.169 54.169 55.296 -1.127 25663 161 1 . 1 1 29 29 HIS CB C 29 33.436 33.436 32.521 0.915 25663 162 1 . 1 1 29 29 HIS H H 29 8.412 8.412 8.187 0.225 25663 163 1 . 1 1 30 30 LEU N N 30 124.046 124.046 122.595 1.451 25663 164 1 . 1 1 30 30 LEU HA H 30 4.912 4.912 4.397 0.515 25663 165 1 . 1 1 30 30 LEU C C 30 178.158 178.158 177.413 0.745 25663 166 1 . 1 1 30 30 LEU CA C 30 56.817 56.817 55.230 1.587 25663 167 1 . 1 1 30 30 LEU CB C 30 42.534 42.534 42.449 0.085 25663 168 1 . 1 1 30 30 LEU H H 30 9.399 9.399 8.427 0.972 25663 169 1 . 1 1 31 31 ALA N N 31 126.730 126.730 125.636 1.094 25663 170 1 . 1 1 31 31 ALA HA H 31 4.403 4.403 4.248 0.155 25663 171 1 . 1 1 31 31 ALA C C 31 176.879 176.879 177.240 -0.361 25663 172 1 . 1 1 31 31 ALA CA C 31 52.006 52.006 52.540 -0.534 25663 173 1 . 1 1 31 31 ALA CB C 31 19.593 19.593 18.962 0.630 25663 174 1 . 1 1 31 31 ALA H H 31 9.331 9.331 8.400 0.931 25663 175 1 . 1 1 32 32 THR N N 32 111.206 111.206 116.902 -5.696 25663 176 1 . 1 1 32 32 THR HA H 32 4.528 4.528 4.508 0.020 25663 177 1 . 1 1 32 32 THR C C 32 174.899 174.899 174.945 -0.046 25663 178 1 . 1 1 32 32 THR CA C 32 59.818 59.818 60.415 -0.597 25663 179 1 . 1 1 32 32 THR CB C 32 70.949 70.949 71.307 -0.358 25663 180 1 . 1 1 32 32 THR H H 32 8.511 8.511 7.846 0.665 25663 181 1 . 1 1 33 33 TYR N N 33 121.971 121.971 124.445 -2.474 25663 182 1 . 1 1 33 33 TYR HA H 33 3.745 3.745 4.042 -0.297 25663 183 1 . 1 1 33 33 TYR C C 33 176.176 176.176 177.121 -0.945 25663 184 1 . 1 1 33 33 TYR CA C 33 62.320 62.320 62.776 -0.456 25663 185 1 . 1 1 33 33 TYR CB C 33 38.737 38.737 38.492 0.245 25663 186 1 . 1 1 33 33 TYR H H 33 8.623 8.623 8.994 -0.371 25663 187 1 . 1 1 34 34 LYS N N 34 116.509 116.509 118.543 -2.034 25663 188 1 . 1 1 34 34 LYS HA H 34 3.905 3.905 3.869 0.036 25663 189 1 . 1 1 34 34 LYS C C 34 180.207 180.207 178.794 1.413 25663 190 1 . 1 1 34 34 LYS CA C 34 59.854 59.854 59.553 0.301 25663 191 1 . 1 1 34 34 LYS CB C 34 32.743 32.743 31.899 0.844 25663 192 1 . 1 1 34 34 LYS H H 34 8.284 8.284 8.030 0.254 25663 193 1 . 1 1 35 35 GLN N N 35 119.270 119.270 118.394 0.876 25663 194 1 . 1 1 35 35 GLN HA H 35 3.822 3.822 4.003 -0.181 25663 195 1 . 1 1 35 35 GLN C C 35 179.050 179.050 178.532 0.518 25663 196 1 . 1 1 35 35 GLN CA C 35 58.402 58.402 58.317 0.085 25663 197 1 . 1 1 35 35 GLN CB C 35 26.715 26.715 28.264 -1.549 25663 198 1 . 1 1 35 35 GLN H H 35 7.747 7.747 7.880 -0.133 25663 199 1 . 1 1 36 36 LEU N N 36 122.992 122.992 120.494 2.497 25663 200 1 . 1 1 36 36 LEU HA H 36 3.891 3.891 3.715 0.176 25663 201 1 . 1 1 36 36 LEU C C 36 177.812 177.812 178.437 -0.625 25663 202 1 . 1 1 36 36 LEU CA C 36 58.166 58.166 57.710 0.456 25663 203 1 . 1 1 36 36 LEU CB C 36 41.981 41.981 41.638 0.343 25663 204 1 . 1 1 36 36 LEU H H 36 8.473 8.473 8.556 -0.083 25663 205 1 . 1 1 37 37 GLU N N 37 120.512 120.512 119.324 1.188 25663 206 1 . 1 1 37 37 GLU HA H 37 4.244 4.244 3.759 0.485 25663 207 1 . 1 1 37 37 GLU C C 37 177.984 177.984 178.272 -0.288 25663 208 1 . 1 1 37 37 GLU CA C 37 58.018 58.018 59.351 -1.333 25663 209 1 . 1 1 37 37 GLU CB C 37 28.236 28.236 29.098 -0.862 25663 210 1 . 1 1 37 37 GLU H H 37 8.526 8.526 7.986 0.540 25663 211 1 . 1 1 38 38 ALA N N 38 121.256 121.256 120.616 0.640 25663 212 1 . 1 1 38 38 ALA HA H 38 3.995 3.995 4.137 -0.142 25663 213 1 . 1 1 38 38 ALA C C 38 180.513 180.513 178.823 1.690 25663 214 1 . 1 1 38 38 ALA CA C 38 54.968 54.968 54.342 0.626 25663 215 1 . 1 1 38 38 ALA CB C 38 17.792 17.792 18.170 -0.378 25663 216 1 . 1 1 38 38 ALA H H 38 7.806 7.806 7.448 0.358 25663 217 1 . 1 1 39 39 ALA N N 39 120.185 120.185 120.537 -0.352 25663 218 1 . 1 1 39 39 ALA HA H 39 4.164 4.164 4.197 -0.033 25663 219 1 . 1 1 39 39 ALA C C 39 180.063 180.063 179.871 0.192 25663 220 1 . 1 1 39 39 ALA CA C 39 54.064 54.064 53.918 0.146 25663 221 1 . 1 1 39 39 ALA CB C 39 17.883 17.883 18.645 -0.762 25663 222 1 . 1 1 39 39 ALA H H 39 7.495 7.495 7.452 0.043 25663 223 1 . 1 1 40 40 ARG N N 40 124.604 124.604 119.246 5.358 25663 224 1 . 1 1 40 40 ARG HA H 40 4.658 4.658 4.231 0.427 25663 225 1 . 1 1 40 40 ARG C C 40 180.610 180.610 178.767 1.843 25663 226 1 . 1 1 40 40 ARG CA C 40 58.559 58.559 58.267 0.292 25663 227 1 . 1 1 40 40 ARG CB C 40 30.707 30.707 29.683 1.024 25663 228 1 . 1 1 40 40 ARG H H 40 8.789 8.789 8.130 0.659 25663 229 1 . 1 1 41 41 LYS N N 41 117.810 117.810 118.917 -1.107 25663 230 1 . 1 1 41 41 LYS HA H 41 3.925 3.925 4.201 -0.276 25663 231 1 . 1 1 41 41 LYS C C 41 178.134 178.134 177.497 0.637 25663 232 1 . 1 1 41 41 LYS CA C 41 59.409 59.409 58.325 1.084 25663 233 1 . 1 1 41 41 LYS CB C 41 32.786 32.786 32.095 0.691 25663 234 1 . 1 1 41 41 LYS H H 41 8.267 8.267 7.641 0.626 25663 235 1 . 1 1 42 42 ILE N N 42 110.889 110.889 118.313 -7.424 25663 236 1 . 1 1 42 42 ILE HA H 42 4.581 4.581 4.248 0.333 25663 237 1 . 1 1 42 42 ILE C C 42 176.527 176.527 176.342 0.185 25663 238 1 . 1 1 42 42 ILE CA C 42 60.751 60.751 60.538 0.213 25663 239 1 . 1 1 42 42 ILE CB C 42 37.739 37.739 37.525 0.214 25663 240 1 . 1 1 42 42 ILE H H 42 7.263 7.263 7.890 -0.627 25663 241 1 . 1 1 43 43 GLY N N 43 108.366 108.366 108.665 -0.299 25663 242 1 . 1 1 43 43 GLY C C 43 173.880 173.880 174.399 -0.519 25663 243 1 . 1 1 43 43 GLY CA C 43 45.585 45.585 45.130 0.455 25663 244 1 . 1 1 43 43 GLY H H 43 7.816 7.816 7.653 0.163 25663 245 1 . 1 1 44 44 PHE N N 44 125.650 125.650 121.344 4.306 25663 246 1 . 1 1 44 44 PHE HA H 44 4.510 4.510 4.396 0.114 25663 247 1 . 1 1 44 44 PHE C C 44 171.183 171.183 174.635 -3.452 25663 248 1 . 1 1 44 44 PHE CA C 44 59.012 59.012 59.052 -0.039 25663 249 1 . 1 1 44 44 PHE CB C 44 39.986 39.986 39.927 0.059 25663 250 1 . 1 1 44 44 PHE H H 44 8.003 8.003 7.602 0.401 25663 251 1 . 1 1 45 45 HIS N N 45 126.999 126.999 126.756 0.243 25663 252 1 . 1 1 45 45 HIS HA H 45 4.728 4.728 4.699 0.029 25663 253 1 . 1 1 45 45 HIS C C 45 175.134 175.134 173.228 1.906 25663 254 1 . 1 1 45 45 HIS CA C 45 55.539 55.539 55.454 0.085 25663 255 1 . 1 1 45 45 HIS CB C 45 34.586 34.586 31.126 3.460 25663 256 1 . 1 1 45 45 HIS H H 45 7.326 7.326 7.986 -0.660 25663 257 1 . 1 1 46 46 VAL N N 46 126.425 126.425 125.182 1.243 25663 258 1 . 1 1 46 46 VAL HA H 46 3.665 3.665 4.021 -0.356 25663 259 1 . 1 1 46 46 VAL CA C 46 61.647 61.647 61.081 0.566 25663 260 1 . 1 1 46 46 VAL CB C 46 35.141 35.141 34.566 0.575 25663 261 1 . 1 1 46 46 VAL H H 46 8.147 8.147 7.927 0.220 25663 262 1 . 1 1 47 47 CYS N N 47 127.308 127.308 127.152 0.156 25663 263 1 . 1 1 47 47 CYS HA H 47 4.470 4.470 4.694 -0.224 25663 264 1 . 1 1 47 47 CYS C C 47 172.533 172.533 173.797 -1.264 25663 265 1 . 1 1 47 47 CYS CA C 47 55.259 55.259 58.476 -3.217 25663 266 1 . 1 1 47 47 CYS CB C 47 44.867 44.867 25.223 19.644 25663 267 1 . 1 1 47 47 CYS H H 47 8.675 8.675 8.715 -0.040 25663 268 1 . 1 1 48 48 ALA N N 48 120.376 120.376 128.029 -7.653 25663 269 1 . 1 1 48 48 ALA HA H 48 4.278 4.278 4.533 -0.255 25663 270 1 . 1 1 48 48 ALA C C 48 173.936 173.936 175.244 -1.308 25663 271 1 . 1 1 48 48 ALA CA C 48 51.286 51.286 51.836 -0.550 25663 272 1 . 1 1 48 48 ALA CB C 48 19.831 19.831 21.441 -1.610 25663 273 1 . 1 1 48 48 ALA H H 48 6.500 6.500 7.746 -1.246 25663 274 1 . 1 1 49 49 ALA N N 49 130.715 130.715 125.297 5.417 25663 275 1 . 1 1 49 49 ALA HA H 49 3.834 3.834 4.673 -0.839 25663 276 1 . 1 1 49 49 ALA C C 49 176.061 176.061 176.676 -0.615 25663 277 1 . 1 1 49 49 ALA CA C 49 53.466 53.466 51.445 2.021 25663 278 1 . 1 1 49 49 ALA CB C 49 18.332 18.332 19.790 -1.457 25663 279 1 . 1 1 49 49 ALA H H 49 8.424 8.424 8.352 0.072 25663 280 1 . 1 1 50 50 GLY N N 50 107.085 107.085 109.786 -2.701 25663 281 1 . 1 1 50 50 GLY C C 50 170.793 170.793 172.378 -1.585 25663 282 1 . 1 1 50 50 GLY CA C 50 43.792 43.792 44.398 -0.606 25663 283 1 . 1 1 50 50 GLY H H 50 8.746 8.746 7.916 0.830 25663 284 1 . 1 1 51 51 TRP N N 51 121.565 121.565 121.445 0.120 25663 285 1 . 1 1 51 51 TRP HA H 51 4.960 4.960 4.820 0.140 25663 286 1 . 1 1 51 51 TRP C C 51 174.095 174.095 175.821 -1.726 25663 287 1 . 1 1 51 51 TRP CA C 51 58.852 58.852 57.699 1.153 25663 288 1 . 1 1 51 51 TRP CB C 51 32.034 32.034 30.801 1.233 25663 289 1 . 1 1 51 51 TRP H H 51 8.596 8.596 8.106 0.490 25663 290 1 . 1 1 52 52 MET N N 52 118.713 118.713 119.292 -0.579 25663 291 1 . 1 1 52 52 MET HA H 52 4.945 4.945 4.969 -0.024 25663 292 1 . 1 1 52 52 MET C C 52 174.575 174.575 175.444 -0.869 25663 293 1 . 1 1 52 52 MET CA C 52 54.277 54.277 53.924 0.353 25663 294 1 . 1 1 52 52 MET CB C 52 39.146 39.146 36.315 2.831 25663 295 1 . 1 1 52 52 MET H H 52 9.116 9.116 8.770 0.346 25663 296 1 . 1 1 53 53 ALA N N 53 120.116 120.116 121.774 -1.658 25663 297 1 . 1 1 53 53 ALA HA H 53 4.186 4.186 4.186 0.000 25663 298 1 . 1 1 53 53 ALA C C 53 178.250 178.250 178.412 -0.162 25663 299 1 . 1 1 53 53 ALA CA C 53 53.791 53.791 53.815 -0.024 25663 300 1 . 1 1 53 53 ALA CB C 53 19.462 19.462 19.061 0.401 25663 301 1 . 1 1 53 53 ALA H H 53 8.517 8.517 8.628 -0.111 25663 302 1 . 1 1 54 54 LYS N N 54 112.641 112.641 120.005 -7.364 25663 303 1 . 1 1 54 54 LYS HA H 54 3.857 3.857 3.896 -0.039 25663 304 1 . 1 1 54 54 LYS C C 54 175.913 175.913 176.426 -0.513 25663 305 1 . 1 1 54 54 LYS CA C 54 57.608 57.608 57.038 0.570 25663 306 1 . 1 1 54 54 LYS CB C 54 29.796 29.796 30.659 -0.863 25663 307 1 . 1 1 54 54 LYS H H 54 8.866 8.866 9.067 -0.201 25663 308 1 . 1 1 55 55 GLY N N 55 104.227 104.227 104.212 0.015 25663 309 1 . 1 1 55 55 GLY C C 55 173.820 173.820 174.472 -0.652 25663 310 1 . 1 1 55 55 GLY CA C 55 45.933 45.933 45.518 0.415 25663 311 1 . 1 1 55 55 GLY H H 55 8.239 8.239 8.315 -0.076 25663 312 1 . 1 1 56 56 ARG N N 56 122.045 122.045 120.083 1.962 25663 313 1 . 1 1 56 56 ARG HA H 56 4.771 4.771 4.354 0.417 25663 314 1 . 1 1 56 56 ARG C C 56 173.828 173.828 174.900 -1.072 25663 315 1 . 1 1 56 56 ARG CA C 56 55.010 55.010 56.604 -1.594 25663 316 1 . 1 1 56 56 ARG CB C 56 31.939 31.939 31.327 0.612 25663 317 1 . 1 1 56 56 ARG H H 56 6.825 6.825 7.823 -0.998 25663 318 1 . 1 1 57 57 VAL N N 57 122.581 122.581 122.455 0.126 25663 319 1 . 1 1 57 57 VAL HA H 57 4.632 4.632 4.796 -0.164 25663 320 1 . 1 1 57 57 VAL C C 57 173.775 173.775 174.283 -0.508 25663 321 1 . 1 1 57 57 VAL CA C 57 59.946 59.946 60.390 -0.444 25663 322 1 . 1 1 57 57 VAL CB C 57 35.191 35.191 34.382 0.810 25663 323 1 . 1 1 57 57 VAL H H 57 7.084 7.084 8.029 -0.945 25663 324 1 . 1 1 58 58 GLY N N 58 112.994 112.994 113.430 -0.436 25663 325 1 . 1 1 58 58 GLY C C 58 171.431 171.431 172.038 -0.608 25663 326 1 . 1 1 58 58 GLY CA C 58 46.285 46.285 45.350 0.935 25663 327 1 . 1 1 58 58 GLY H H 58 8.112 8.112 7.839 0.273 25663 328 1 . 1 1 59 59 TYR N N 59 111.540 111.540 116.296 -4.756 25663 329 1 . 1 1 59 59 TYR HA H 59 4.337 4.337 5.043 -0.706 25663 330 1 . 1 1 59 59 TYR CA C 59 55.972 55.972 54.499 1.473 25663 331 1 . 1 1 59 59 TYR CB C 59 34.363 34.363 38.758 -4.395 25663 332 1 . 1 1 59 59 TYR H H 59 7.796 7.796 8.170 -0.374 25663 333 1 . 1 1 60 60 PRO HA H 60 4.497 4.497 4.472 0.025 25663 334 1 . 1 1 60 60 PRO CA C 60 62.231 62.231 63.153 -0.922 25663 335 1 . 1 1 60 60 PRO CB C 60 33.314 33.314 32.233 1.081 25663 336 1 . 1 1 61 61 ILE HA H 61 4.444 4.444 4.562 -0.118 25663 337 1 . 1 1 61 61 ILE CA C 61 56.601 56.601 60.049 -3.448 25663 338 1 . 1 1 61 61 ILE CB C 61 38.417 38.417 40.480 -2.063 25663 339 1 . 1 1 62 62 VAL HA H 62 3.935 3.935 3.881 0.054 25663 340 1 . 1 1 62 62 VAL CA C 62 64.377 64.377 64.645 -0.269 25663 341 1 . 1 1 62 62 VAL CB C 62 34.087 34.087 31.953 2.134 25663 342 1 . 1 1 62 62 VAL H H 62 11.229 11.229 8.568 2.661 25663 343 1 . 1 1 63 63 LYS N N 63 122.578 122.578 117.046 5.532 25663 344 1 . 1 1 63 63 LYS HA H 63 4.753 4.753 4.557 0.196 25663 345 1 . 1 1 63 63 LYS CA C 63 52.473 52.473 54.090 -1.617 25663 346 1 . 1 1 63 63 LYS CB C 63 32.983 32.983 32.894 0.089 25663 347 1 . 1 1 63 63 LYS H H 63 7.501 7.501 7.617 -0.116 25663 348 1 . 1 1 64 64 PRO HA H 64 4.362 4.362 4.359 0.003 25663 349 1 . 1 1 64 64 PRO CA C 64 63.124 63.124 63.181 -0.057 25663 350 1 . 1 1 64 64 PRO CB C 64 32.121 32.121 32.115 0.006 25663 351 1 . 1 1 65 65 GLY CA C 65 45.512 45.512 43.941 1.571 25663 352 1 . 1 1 65 65 GLY H H 65 8.377 8.377 8.147 0.230 25663 353 1 . 1 1 66 66 PRO HA H 66 4.010 4.010 4.373 -0.363 25663 354 1 . 1 1 66 66 PRO C C 66 177.072 177.072 177.356 -0.284 25663 355 1 . 1 1 66 66 PRO CA C 66 64.765 64.765 64.388 0.377 25663 356 1 . 1 1 66 66 PRO CB C 66 32.121 32.121 32.238 -0.117 25663 357 1 . 1 1 67 67 ASN N N 67 114.419 114.419 117.040 -2.621 25663 358 1 . 1 1 67 67 ASN HA H 67 4.995 4.995 4.647 0.348 25663 359 1 . 1 1 67 67 ASN C C 67 173.872 173.872 174.864 -0.992 25663 360 1 . 1 1 67 67 ASN CA C 67 52.349 52.349 53.450 -1.101 25663 361 1 . 1 1 67 67 ASN CB C 67 38.955 38.955 38.436 0.519 25663 362 1 . 1 1 67 67 ASN H H 67 8.330 8.330 8.561 -0.231 25663 363 1 . 1 1 68 68 CYS N N 68 118.995 118.995 115.265 3.730 25663 364 1 . 1 1 68 68 CYS HA H 68 5.034 5.034 4.676 0.358 25663 365 1 . 1 1 68 68 CYS CA C 68 54.247 54.247 57.606 -3.359 25663 366 1 . 1 1 68 68 CYS CB C 68 44.260 44.260 29.508 14.752 25663 367 1 . 1 1 68 68 CYS H H 68 7.327 7.327 7.598 -0.271 25663 368 1 . 1 1 70 70 PHE HA H 70 4.305 4.305 4.406 -0.101 25663 369 1 . 1 1 70 70 PHE CA C 70 58.889 58.889 58.390 0.499 25663 370 1 . 1 1 70 70 PHE CB C 70 36.557 36.557 38.861 -2.304 25663 371 1 . 1 1 71 71 GLY N N 71 105.368 105.368 109.305 -3.937 25663 372 1 . 1 1 71 71 GLY CA C 71 46.043 46.043 45.130 0.913 25663 373 1 . 1 1 71 71 GLY H H 71 7.339 7.339 7.910 -0.571 25663 374 1 . 1 1 72 72 LYS N N 72 120.404 120.404 119.808 0.596 25663 375 1 . 1 1 72 72 LYS HA H 72 4.264 4.264 4.338 -0.074 25663 376 1 . 1 1 72 72 LYS C C 72 175.440 175.440 175.268 0.172 25663 377 1 . 1 1 72 72 LYS CA C 72 56.413 56.413 56.551 -0.138 25663 378 1 . 1 1 72 72 LYS CB C 72 33.686 33.686 33.093 0.593 25663 379 1 . 1 1 72 72 LYS H H 72 6.946 6.946 8.235 -1.289 25663 380 1 . 1 1 73 73 THR N N 73 110.334 110.334 111.485 -1.151 25663 381 1 . 1 1 73 73 THR HA H 73 4.233 4.233 4.611 -0.378 25663 382 1 . 1 1 73 73 THR C C 73 173.774 173.774 174.630 -0.856 25663 383 1 . 1 1 73 73 THR CA C 73 60.879 60.879 60.784 0.095 25663 384 1 . 1 1 73 73 THR CB C 73 70.841 70.841 71.204 -0.363 25663 385 1 . 1 1 73 73 THR H H 73 7.911 7.911 7.978 -0.067 25663 386 1 . 1 1 74 74 GLY N N 74 109.589 109.589 110.348 -0.759 25663 387 1 . 1 1 74 74 GLY C C 74 172.715 172.715 174.108 -1.393 25663 388 1 . 1 1 74 74 GLY CA C 74 43.404 43.404 44.805 -1.401 25663 389 1 . 1 1 74 74 GLY H H 74 7.904 7.904 8.169 -0.265 25663 390 1 . 1 1 75 75 ILE N N 75 120.787 120.787 120.442 0.345 25663 391 1 . 1 1 75 75 ILE HA H 75 4.221 4.221 3.881 0.341 25663 392 1 . 1 1 75 75 ILE C C 75 176.249 176.249 175.671 0.578 25663 393 1 . 1 1 75 75 ILE CA C 75 59.422 59.422 61.886 -2.463 25663 394 1 . 1 1 75 75 ILE CB C 75 36.008 36.008 38.285 -2.277 25663 395 1 . 1 1 75 75 ILE H H 75 8.265 8.265 8.064 0.201 25663 396 1 . 1 1 76 76 ILE N N 76 134.542 134.542 124.929 9.613 25663 397 1 . 1 1 76 76 ILE HA H 76 3.587 3.587 4.139 -0.552 25663 398 1 . 1 1 76 76 ILE C C 76 173.769 173.769 174.526 -0.757 25663 399 1 . 1 1 76 76 ILE CA C 76 59.599 59.599 59.842 -0.243 25663 400 1 . 1 1 76 76 ILE CB C 76 33.139 33.139 37.623 -4.484 25663 401 1 . 1 1 76 76 ILE H H 76 8.660 8.660 8.134 0.526 25663 402 1 . 1 1 77 77 ASP N N 77 126.213 126.213 124.236 1.977 25663 403 1 . 1 1 77 77 ASP HA H 77 4.790 4.790 4.569 0.221 25663 404 1 . 1 1 77 77 ASP C C 77 176.390 176.390 175.411 0.979 25663 405 1 . 1 1 77 77 ASP CA C 77 52.927 52.927 53.584 -0.657 25663 406 1 . 1 1 77 77 ASP CB C 77 44.224 44.224 41.490 2.734 25663 407 1 . 1 1 77 77 ASP H H 77 7.925 7.925 8.106 -0.181 25663 408 1 . 1 1 78 78 TYR N N 78 126.424 126.424 123.093 3.331 25663 409 1 . 1 1 78 78 TYR HA H 78 4.780 4.780 4.526 0.254 25663 410 1 . 1 1 78 78 TYR C C 78 177.025 177.025 176.172 0.853 25663 411 1 . 1 1 78 78 TYR CA C 78 54.257 54.257 58.199 -3.942 25663 412 1 . 1 1 78 78 TYR CB C 78 36.513 36.513 39.690 -3.177 25663 413 1 . 1 1 78 78 TYR H H 78 9.313 9.313 8.217 1.096 25663 414 1 . 1 1 79 79 GLY N N 79 110.776 110.776 107.979 2.797 25663 415 1 . 1 1 79 79 GLY C C 79 172.389 172.389 173.453 -1.064 25663 416 1 . 1 1 79 79 GLY CA C 79 44.317 44.317 44.783 -0.466 25663 417 1 . 1 1 79 79 GLY H H 79 8.880 8.880 8.158 0.722 25663 418 1 . 1 1 80 80 ILE N N 80 117.437 117.437 120.562 -3.125 25663 419 1 . 1 1 80 80 ILE HA H 80 3.897 3.897 4.073 -0.176 25663 420 1 . 1 1 80 80 ILE C C 80 177.495 177.495 175.419 2.076 25663 421 1 . 1 1 80 80 ILE CA C 80 61.293 61.293 61.438 -0.145 25663 422 1 . 1 1 80 80 ILE CB C 80 36.412 36.412 38.106 -1.694 25663 423 1 . 1 1 80 80 ILE H H 80 8.189 8.189 8.206 -0.017 25663 424 1 . 1 1 81 81 ARG N N 81 128.585 128.585 126.380 2.205 25663 425 1 . 1 1 81 81 ARG HA H 81 4.367 4.367 4.505 -0.138 25663 426 1 . 1 1 81 81 ARG CA C 81 52.745 52.745 55.227 -2.482 25663 427 1 . 1 1 81 81 ARG CB C 81 27.133 27.133 31.179 -4.046 25663 428 1 . 1 1 81 81 ARG H H 81 8.367 8.367 8.501 -0.134 25663 429 1 . 1 1 82 82 LEU HA H 82 4.145 4.145 4.342 -0.197 25663 430 1 . 1 1 82 82 LEU C C 82 177.546 177.546 177.238 0.308 25663 431 1 . 1 1 82 82 LEU CA C 82 56.857 56.857 55.718 1.139 25663 432 1 . 1 1 82 82 LEU CB C 82 42.266 42.266 41.783 0.483 25663 433 1 . 1 1 82 82 LEU H H 82 8.226 8.226 8.625 -0.399 25663 434 1 . 1 1 83 83 ASN N N 83 115.779 115.779 116.843 -1.064 25663 435 1 . 1 1 83 83 ASN HA H 83 4.913 4.913 4.723 0.190 25663 436 1 . 1 1 83 83 ASN C C 83 175.764 175.764 176.457 -0.693 25663 437 1 . 1 1 83 83 ASN CA C 83 51.627 51.627 52.834 -1.207 25663 438 1 . 1 1 83 83 ASN CB C 83 37.505 37.505 37.323 0.182 25663 439 1 . 1 1 83 83 ASN H H 83 8.628 8.628 8.485 0.143 25663 440 1 . 1 1 84 84 ARG N N 84 121.554 121.554 119.266 2.288 25663 441 1 . 1 1 84 84 ARG HA H 84 4.637 4.637 3.781 0.856 25663 442 1 . 1 1 84 84 ARG C C 84 177.197 177.197 176.833 0.364 25663 443 1 . 1 1 84 84 ARG CA C 84 56.695 56.695 58.593 -1.898 25663 444 1 . 1 1 84 84 ARG CB C 84 29.361 29.361 29.311 0.050 25663 445 1 . 1 1 84 84 ARG H H 84 8.593 8.593 7.997 0.596 25663 446 1 . 1 1 85 85 SER N N 85 116.623 116.623 112.622 4.001 25663 447 1 . 1 1 85 85 SER HA H 85 4.628 4.628 4.461 0.167 25663 448 1 . 1 1 85 85 SER C C 85 174.403 174.403 175.047 -0.644 25663 449 1 . 1 1 85 85 SER CA C 85 58.827 58.827 59.478 -0.651 25663 450 1 . 1 1 85 85 SER CB C 85 62.996 62.996 63.516 -0.520 25663 451 1 . 1 1 85 85 SER H H 85 8.567 8.567 8.128 0.439 25663 452 1 . 1 1 86 86 GLU N N 86 121.171 121.171 122.143 -0.972 25663 453 1 . 1 1 86 86 GLU HA H 86 3.864 3.864 4.431 -0.567 25663 454 1 . 1 1 86 86 GLU C C 86 174.422 174.422 175.664 -1.242 25663 455 1 . 1 1 86 86 GLU CA C 86 57.520 57.520 56.331 1.189 25663 456 1 . 1 1 86 86 GLU CB C 86 31.292 31.292 30.996 0.296 25663 457 1 . 1 1 86 86 GLU H H 86 7.219 7.219 8.296 -1.077 25663 458 1 . 1 1 87 87 ARG N N 87 118.124 118.124 119.852 -1.728 25663 459 1 . 1 1 87 87 ARG HA H 87 4.687 4.687 4.651 0.036 25663 460 1 . 1 1 87 87 ARG C C 87 173.408 173.408 175.141 -1.733 25663 461 1 . 1 1 87 87 ARG CA C 87 54.387 54.387 55.924 -1.537 25663 462 1 . 1 1 87 87 ARG CB C 87 31.544 31.544 32.254 -0.710 25663 463 1 . 1 1 87 87 ARG H H 87 7.263 7.263 8.451 -1.188 25663 464 1 . 1 1 88 88 TRP N N 88 121.383 121.383 122.077 -0.694 25663 465 1 . 1 1 88 88 TRP HA H 88 4.899 4.899 4.906 -0.007 25663 466 1 . 1 1 88 88 TRP CA C 88 54.508 54.508 57.079 -2.571 25663 467 1 . 1 1 88 88 TRP CB C 88 33.610 33.610 32.047 1.563 25663 468 1 . 1 1 88 88 TRP H H 88 8.811 8.811 9.025 -0.214 25663 469 1 . 1 1 89 89 ASP N N 89 119.285 119.285 119.517 -0.232 25663 470 1 . 1 1 89 89 ASP HA H 89 5.602 5.602 4.731 0.871 25663 471 1 . 1 1 89 89 ASP C C 89 173.648 173.648 175.094 -1.446 25663 472 1 . 1 1 89 89 ASP CA C 89 54.558 54.558 54.093 0.465 25663 473 1 . 1 1 89 89 ASP CB C 89 40.438 40.438 42.153 -1.715 25663 474 1 . 1 1 89 89 ASP H H 89 8.552 8.552 8.469 0.083 25663 475 1 . 1 1 90 90 ALA N N 90 121.014 121.014 118.697 2.317 25663 476 1 . 1 1 90 90 ALA HA H 90 5.095 5.095 4.609 0.486 25663 477 1 . 1 1 90 90 ALA C C 90 175.076 175.076 174.879 0.197 25663 478 1 . 1 1 90 90 ALA CA C 90 52.089 52.089 51.779 0.310 25663 479 1 . 1 1 90 90 ALA CB C 90 23.118 23.118 21.760 1.358 25663 480 1 . 1 1 90 90 ALA H H 90 8.449 8.449 7.941 0.508 25663 481 1 . 1 1 91 91 TYR N N 91 118.243 118.243 118.150 0.093 25663 482 1 . 1 1 91 91 TYR HA H 91 5.072 5.072 4.942 0.130 25663 483 1 . 1 1 91 91 TYR C C 91 174.671 174.671 174.928 -0.257 25663 484 1 . 1 1 91 91 TYR CA C 91 58.787 58.787 57.434 1.353 25663 485 1 . 1 1 91 91 TYR CB C 91 40.686 40.686 41.745 -1.059 25663 486 1 . 1 1 91 91 TYR H H 91 8.421 8.421 8.297 0.124 25663 487 1 . 1 1 92 92 CYS N N 92 119.931 119.931 119.510 0.421 25663 488 1 . 1 1 92 92 CYS HA H 92 5.263 5.263 5.002 0.261 25663 489 1 . 1 1 92 92 CYS C C 92 172.698 172.698 172.687 0.011 25663 490 1 . 1 1 92 92 CYS CA C 92 50.601 50.601 57.870 -7.269 25663 491 1 . 1 1 92 92 CYS CB C 92 37.818 37.818 31.098 6.720 25663 492 1 . 1 1 92 92 CYS H H 92 8.459 8.459 8.968 -0.509 25663 493 1 . 1 1 93 93 TYR N N 93 120.805 120.805 122.159 -1.354 25663 494 1 . 1 1 93 93 TYR HA H 93 4.903 4.903 4.804 0.099 25663 495 1 . 1 1 93 93 TYR C C 93 173.902 173.902 173.080 0.822 25663 496 1 . 1 1 93 93 TYR CA C 93 57.096 57.096 57.633 -0.537 25663 497 1 . 1 1 93 93 TYR CB C 93 41.665 41.665 41.479 0.186 25663 498 1 . 1 1 93 93 TYR H H 93 9.410 9.410 8.626 0.784 25663 499 1 . 1 1 94 94 ASN N N 94 124.511 124.511 124.187 0.324 25663 500 1 . 1 1 94 94 ASN HA H 94 4.774 4.774 5.034 -0.260 25663 501 1 . 1 1 94 94 ASN CA C 94 49.599 49.599 50.960 -1.361 25663 502 1 . 1 1 94 94 ASN CB C 94 41.642 41.642 40.540 1.102 25663 503 1 . 1 1 94 94 ASN H H 94 7.832 7.832 7.977 -0.145 25663 504 1 . 1 1 95 95 PRO HA H 95 4.141 4.141 4.294 -0.153 25663 505 1 . 1 1 95 95 PRO C C 95 176.345 176.345 176.229 0.116 25663 506 1 . 1 1 95 95 PRO CA C 95 63.800 63.800 63.780 0.020 25663 507 1 . 1 1 95 95 PRO CB C 95 32.046 32.046 31.798 0.248 25663 508 1 . 1 1 96 96 HIS N N 96 116.009 116.009 118.213 -2.204 25663 509 1 . 1 1 96 96 HIS HA H 96 4.623 4.623 4.382 0.241 25663 510 1 . 1 1 96 96 HIS C C 96 173.999 173.999 174.671 -0.672 25663 511 1 . 1 1 96 96 HIS CA C 96 55.046 55.046 56.413 -1.367 25663 512 1 . 1 1 96 96 HIS CB C 96 28.821 28.821 29.581 -0.761 25663 513 1 . 1 1 96 96 HIS H H 96 8.354 8.354 8.087 0.267 25663 514 1 . 1 1 97 97 ALA N N 97 123.775 123.775 123.570 0.205 25663 515 1 . 1 1 97 97 ALA HA H 97 4.269 4.269 4.119 0.150 25663 516 1 . 1 1 97 97 ALA C C 97 176.350 176.350 176.379 -0.029 25663 517 1 . 1 1 97 97 ALA CA C 97 51.796 51.796 52.854 -1.058 25663 518 1 . 1 1 97 97 ALA CB C 97 19.648 19.648 19.354 0.294 25663 519 1 . 1 1 97 97 ALA H H 97 7.387 7.387 8.014 -0.627 25663 stop_ save_