data_19479 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19479 _Entry.PDB_ID 2MD9 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 19479 _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 3 3 VAL HA H 3 4.160 4.160 4.309 -0.149 19479 2 1 1 . 1 1 3 3 VAL CA C 3 63.130 63.130 62.639 0.491 19479 3 1 1 . 1 1 3 3 VAL CB C 3 32.605 32.605 32.877 -0.272 19479 4 1 1 . 1 1 4 4 THR N N 4 117.074 117.074 121.047 -3.973 19479 5 1 1 . 1 1 4 4 THR HA H 4 4.454 4.454 4.469 -0.015 19479 6 1 1 . 1 1 4 4 THR CA C 4 61.454 61.454 63.198 -1.744 19479 7 1 1 . 1 1 4 4 THR CB C 4 70.203 70.203 68.149 2.054 19479 8 1 1 . 1 1 4 4 THR H H 4 8.269 8.269 8.225 0.044 19479 9 1 1 . 1 1 5 5 GLU N N 5 122.628 122.628 122.820 -0.192 19479 10 1 1 . 1 1 5 5 GLU HA H 5 4.305 4.305 4.452 -0.147 19479 11 1 1 . 1 1 5 5 GLU CA C 5 56.689 56.689 56.076 0.613 19479 12 1 1 . 1 1 5 5 GLU CB C 5 30.297 30.297 29.875 0.422 19479 13 1 1 . 1 1 5 5 GLU H H 5 8.465 8.465 8.203 0.262 19479 14 1 1 . 1 1 6 6 ALA N N 6 124.915 124.915 124.062 0.853 19479 15 1 1 . 1 1 6 6 ALA HA H 6 4.301 4.301 4.407 -0.106 19479 16 1 1 . 1 1 6 6 ALA CA C 6 52.392 52.392 51.831 0.561 19479 17 1 1 . 1 1 6 6 ALA CB C 6 19.520 19.520 19.691 -0.171 19479 18 1 1 . 1 1 6 6 ALA H H 6 8.333 8.333 7.848 0.485 19479 19 1 1 . 1 1 7 7 GLN N N 7 120.476 120.476 119.587 0.889 19479 20 1 1 . 1 1 7 7 GLN HA H 7 4.275 4.275 4.267 0.008 19479 21 1 1 . 1 1 7 7 GLN CA C 7 55.512 55.512 55.580 -0.068 19479 22 1 1 . 1 1 7 7 GLN CB C 7 29.495 29.495 29.409 0.086 19479 23 1 1 . 1 1 7 7 GLN H H 7 8.340 8.340 8.202 0.138 19479 24 1 1 . 1 1 8 8 TYR N N 8 124.499 124.499 121.370 3.129 19479 25 1 1 . 1 1 8 8 TYR HA H 8 4.386 4.386 4.443 -0.057 19479 26 1 1 . 1 1 8 8 TYR CA C 8 60.233 60.233 59.181 1.052 19479 27 1 1 . 1 1 8 8 TYR CB C 8 38.173 38.173 38.742 -0.569 19479 28 1 1 . 1 1 8 8 TYR H H 8 8.506 8.506 8.299 0.207 19479 29 1 1 . 1 1 9 9 VAL N N 9 130.011 130.011 129.071 0.940 19479 30 1 1 . 1 1 9 9 VAL HA H 9 3.748 3.748 3.804 -0.056 19479 31 1 1 . 1 1 9 9 VAL CA C 9 61.317 61.317 60.880 0.437 19479 32 1 1 . 1 1 9 9 VAL CB C 9 34.738 34.738 35.097 -0.359 19479 33 1 1 . 1 1 9 9 VAL H H 9 6.756 6.756 8.362 -1.606 19479 34 1 1 . 1 1 10 10 ALA N N 10 130.264 130.264 130.677 -0.413 19479 35 1 1 . 1 1 10 10 ALA HA H 10 4.172 4.172 4.283 -0.111 19479 36 1 1 . 1 1 10 10 ALA CA C 10 50.602 50.602 50.225 0.377 19479 37 1 1 . 1 1 10 10 ALA CB C 10 17.676 17.676 17.963 -0.287 19479 38 1 1 . 1 1 10 10 ALA H H 10 8.125 8.125 7.836 0.289 19479 39 1 1 . 1 1 11 11 PRO HA H 11 4.186 4.186 4.302 -0.116 19479 40 1 1 . 1 1 11 11 PRO CA C 11 63.808 63.808 63.092 0.716 19479 41 1 1 . 1 1 11 11 PRO CB C 11 32.674 32.674 32.291 0.383 19479 42 1 1 . 1 1 12 12 THR N N 12 113.591 113.591 112.559 1.032 19479 43 1 1 . 1 1 12 12 THR HA H 12 4.469 4.469 4.415 0.054 19479 44 1 1 . 1 1 12 12 THR CA C 12 61.950 61.950 61.245 0.705 19479 45 1 1 . 1 1 12 12 THR CB C 12 71.622 71.622 69.772 1.850 19479 46 1 1 . 1 1 12 12 THR H H 12 9.701 9.701 8.279 1.422 19479 47 1 1 . 1 1 13 13 ASN N N 13 116.088 116.088 120.766 -4.678 19479 48 1 1 . 1 1 13 13 ASN HA H 13 4.771 4.771 4.912 -0.141 19479 49 1 1 . 1 1 13 13 ASN CA C 13 51.947 51.947 52.410 -0.463 19479 50 1 1 . 1 1 13 13 ASN CB C 13 39.736 39.736 40.047 -0.311 19479 51 1 1 . 1 1 13 13 ASN H H 13 7.423 7.423 7.646 -0.223 19479 52 1 1 . 1 1 14 14 ALA HA H 14 4.136 4.136 3.956 0.180 19479 53 1 1 . 1 1 14 14 ALA CA C 14 55.484 55.484 55.158 0.326 19479 54 1 1 . 1 1 14 14 ALA CB C 14 19.020 19.020 18.425 0.595 19479 55 1 1 . 1 1 15 15 VAL N N 15 120.332 120.332 118.219 2.113 19479 56 1 1 . 1 1 15 15 VAL HA H 15 4.191 4.191 3.698 0.493 19479 57 1 1 . 1 1 15 15 VAL CA C 15 65.158 65.158 66.253 -1.095 19479 58 1 1 . 1 1 15 15 VAL CB C 15 31.513 31.513 31.004 0.509 19479 59 1 1 . 1 1 15 15 VAL H H 15 7.938 7.938 8.205 -0.267 19479 60 1 1 . 1 1 16 16 GLU N N 16 118.751 118.751 119.873 -1.122 19479 61 1 1 . 1 1 16 16 GLU HA H 16 3.550 3.550 3.901 -0.351 19479 62 1 1 . 1 1 16 16 GLU CA C 16 59.495 59.495 59.453 0.042 19479 63 1 1 . 1 1 16 16 GLU CB C 16 30.851 30.851 28.909 1.942 19479 64 1 1 . 1 1 16 16 GLU H H 16 8.470 8.470 7.917 0.553 19479 65 1 1 . 1 1 17 17 SER N N 17 112.637 112.637 114.757 -2.120 19479 66 1 1 . 1 1 17 17 SER HA H 17 3.968 3.968 4.088 -0.120 19479 67 1 1 . 1 1 17 17 SER CA C 17 62.523 62.523 61.895 0.628 19479 68 1 1 . 1 1 17 17 SER CB C 17 62.669 62.669 62.946 -0.277 19479 69 1 1 . 1 1 17 17 SER H H 17 8.386 8.386 8.114 0.273 19479 70 1 1 . 1 1 18 18 LYS N N 18 124.394 124.394 121.235 3.159 19479 71 1 1 . 1 1 18 18 LYS HA H 18 4.287 4.287 4.192 0.095 19479 72 1 1 . 1 1 18 18 LYS CA C 18 57.421 57.421 58.404 -0.983 19479 73 1 1 . 1 1 18 18 LYS CB C 18 30.018 30.018 32.382 -2.364 19479 74 1 1 . 1 1 18 18 LYS H H 18 8.104 8.104 7.695 0.409 19479 75 1 1 . 1 1 19 19 LEU N N 19 118.589 118.589 120.343 -1.754 19479 76 1 1 . 1 1 19 19 LEU HA H 19 4.027 4.027 4.121 -0.094 19479 77 1 1 . 1 1 19 19 LEU CA C 19 58.178 58.178 58.086 0.092 19479 78 1 1 . 1 1 19 19 LEU CB C 19 42.135 42.135 41.533 0.602 19479 79 1 1 . 1 1 19 19 LEU H H 19 8.742 8.742 8.002 0.740 19479 80 1 1 . 1 1 20 20 ALA N N 20 121.037 121.037 121.210 -0.173 19479 81 1 1 . 1 1 20 20 ALA HA H 20 3.775 3.775 3.632 0.143 19479 82 1 1 . 1 1 20 20 ALA CA C 20 56.194 56.194 55.213 0.981 19479 83 1 1 . 1 1 20 20 ALA CB C 20 16.862 16.862 17.903 -1.041 19479 84 1 1 . 1 1 20 20 ALA H H 20 8.199 8.199 8.222 -0.023 19479 85 1 1 . 1 1 21 21 GLU N N 21 118.948 118.948 119.240 -0.292 19479 86 1 1 . 1 1 21 21 GLU HA H 21 4.129 4.129 4.338 -0.209 19479 87 1 1 . 1 1 21 21 GLU CA C 21 59.788 59.788 59.500 0.288 19479 88 1 1 . 1 1 21 21 GLU CB C 21 29.887 29.887 29.748 0.139 19479 89 1 1 . 1 1 21 21 GLU H H 21 7.716 7.716 7.498 0.218 19479 90 1 1 . 1 1 22 22 ILE N N 22 120.355 120.355 120.190 0.165 19479 91 1 1 . 1 1 22 22 ILE HA H 22 3.780 3.780 3.834 -0.054 19479 92 1 1 . 1 1 22 22 ILE CA C 22 65.850 65.850 65.366 0.484 19479 93 1 1 . 1 1 22 22 ILE CB C 22 38.677 38.677 37.998 0.679 19479 94 1 1 . 1 1 22 22 ILE H H 22 8.409 8.409 7.746 0.663 19479 95 1 1 . 1 1 23 23 TRP N N 23 120.272 120.272 119.457 0.815 19479 96 1 1 . 1 1 23 23 TRP HA H 23 4.191 4.191 4.371 -0.180 19479 97 1 1 . 1 1 23 23 TRP CA C 23 61.819 61.819 60.473 1.346 19479 98 1 1 . 1 1 23 23 TRP CB C 23 29.177 29.177 28.567 0.610 19479 99 1 1 . 1 1 23 23 TRP H H 23 9.551 9.551 8.186 1.365 19479 100 1 1 . 1 1 24 24 GLU N N 24 119.281 119.281 120.192 -0.911 19479 101 1 1 . 1 1 24 24 GLU HA H 24 4.210 4.210 4.149 0.061 19479 102 1 1 . 1 1 24 24 GLU CA C 24 60.695 60.695 59.730 0.965 19479 103 1 1 . 1 1 24 24 GLU CB C 24 29.397 29.397 29.379 0.018 19479 104 1 1 . 1 1 24 24 GLU H H 24 9.039 9.039 8.036 1.003 19479 105 1 1 . 1 1 25 25 ARG N N 25 119.408 119.408 117.870 1.538 19479 106 1 1 . 1 1 25 25 ARG HA H 25 4.205 4.205 4.153 0.052 19479 107 1 1 . 1 1 25 25 ARG CA C 25 59.015 59.015 58.783 0.232 19479 108 1 1 . 1 1 25 25 ARG CB C 25 30.246 30.246 30.300 -0.054 19479 109 1 1 . 1 1 25 25 ARG H H 25 8.060 8.060 8.032 0.028 19479 110 1 1 . 1 1 26 26 VAL N N 26 119.220 119.220 118.386 0.834 19479 111 1 1 . 1 1 26 26 VAL HA H 26 3.782 3.782 3.933 -0.151 19479 112 1 1 . 1 1 26 26 VAL CA C 26 65.845 65.845 64.914 0.931 19479 113 1 1 . 1 1 26 26 VAL CB C 26 32.717 32.717 32.737 -0.020 19479 114 1 1 . 1 1 26 26 VAL H H 26 8.475 8.475 7.485 0.990 19479 115 1 1 . 1 1 27 27 LEU N N 27 116.095 116.095 116.933 -0.838 19479 116 1 1 . 1 1 27 27 LEU HA H 27 4.018 4.018 4.085 -0.067 19479 117 1 1 . 1 1 27 27 LEU CA C 27 55.757 55.757 55.669 0.089 19479 118 1 1 . 1 1 27 27 LEU CB C 27 42.504 42.504 42.399 0.105 19479 119 1 1 . 1 1 27 27 LEU H H 27 9.005 9.005 8.346 0.659 19479 120 1 1 . 1 1 28 28 GLY N N 28 108.722 108.722 107.949 0.773 19479 121 1 1 . 1 1 28 28 GLY CA C 28 46.721 46.721 45.727 0.994 19479 122 1 1 . 1 1 28 28 GLY H H 28 8.056 8.056 8.096 -0.040 19479 123 1 1 . 1 1 29 29 VAL N N 29 115.103 115.103 113.869 1.234 19479 124 1 1 . 1 1 29 29 VAL HA H 29 4.457 4.457 4.794 -0.337 19479 125 1 1 . 1 1 29 29 VAL CA C 29 59.845 59.845 59.036 0.809 19479 126 1 1 . 1 1 29 29 VAL CB C 29 35.477 35.477 34.528 0.950 19479 127 1 1 . 1 1 29 29 VAL H H 29 7.044 7.044 7.532 -0.488 19479 128 1 1 . 1 1 30 30 SER N N 30 115.417 115.417 114.458 0.959 19479 129 1 1 . 1 1 30 30 SER HA H 30 4.683 4.683 5.033 -0.350 19479 130 1 1 . 1 1 30 30 SER CA C 30 56.970 56.970 56.943 0.027 19479 131 1 1 . 1 1 30 30 SER CB C 30 65.294 65.294 65.137 0.157 19479 132 1 1 . 1 1 30 30 SER H H 30 8.151 8.151 8.297 -0.146 19479 133 1 1 . 1 1 31 31 GLY N N 31 112.008 112.008 110.986 1.022 19479 134 1 1 . 1 1 31 31 GLY CA C 31 46.545 46.545 44.769 1.776 19479 135 1 1 . 1 1 31 31 GLY H H 31 8.573 8.573 8.976 -0.403 19479 136 1 1 . 1 1 32 32 ILE N N 32 121.204 121.204 121.893 -0.689 19479 137 1 1 . 1 1 32 32 ILE HA H 32 3.898 3.898 4.258 -0.360 19479 138 1 1 . 1 1 32 32 ILE CA C 32 63.126 63.126 59.553 3.573 19479 139 1 1 . 1 1 32 32 ILE CB C 32 38.993 38.993 37.258 1.735 19479 140 1 1 . 1 1 32 32 ILE H H 32 8.241 8.241 7.638 0.603 19479 141 1 1 . 1 1 33 33 GLY N N 33 115.038 115.038 113.999 1.039 19479 142 1 1 . 1 1 33 33 GLY CA C 33 44.330 44.330 43.549 0.781 19479 143 1 1 . 1 1 33 33 GLY H H 33 8.760 8.760 8.664 0.096 19479 144 1 1 . 1 1 34 34 ILE N N 34 110.067 110.067 118.863 -8.796 19479 145 1 1 . 1 1 34 34 ILE HA H 34 4.017 4.017 3.857 0.160 19479 146 1 1 . 1 1 34 34 ILE CA C 34 64.500 64.500 64.283 0.217 19479 147 1 1 . 1 1 34 34 ILE CB C 34 37.731 37.731 37.942 -0.211 19479 148 1 1 . 1 1 34 34 ILE H H 34 8.566 8.566 8.335 0.231 19479 149 1 1 . 1 1 35 35 LEU N N 35 117.052 117.052 112.569 4.483 19479 150 1 1 . 1 1 35 35 LEU HA H 35 4.692 4.692 4.683 0.009 19479 151 1 1 . 1 1 35 35 LEU CA C 35 53.247 53.247 53.063 0.184 19479 152 1 1 . 1 1 35 35 LEU CB C 35 42.094 42.094 41.108 0.986 19479 153 1 1 . 1 1 35 35 LEU H H 35 8.191 8.191 7.838 0.353 19479 154 1 1 . 1 1 36 36 ASP N N 36 121.535 121.535 123.419 -1.884 19479 155 1 1 . 1 1 36 36 ASP HA H 36 4.387 4.387 4.560 -0.173 19479 156 1 1 . 1 1 36 36 ASP CA C 36 55.244 55.244 56.254 -1.010 19479 157 1 1 . 1 1 36 36 ASP CB C 36 41.170 41.170 41.731 -0.561 19479 158 1 1 . 1 1 36 36 ASP H H 36 7.098 7.098 7.461 -0.363 19479 159 1 1 . 1 1 37 37 ASN N N 37 123.266 123.266 123.838 -0.572 19479 160 1 1 . 1 1 37 37 ASN HA H 37 4.954 4.954 5.192 -0.238 19479 161 1 1 . 1 1 37 37 ASN CA C 37 53.319 53.319 53.078 0.241 19479 162 1 1 . 1 1 37 37 ASN CB C 37 39.610 39.610 39.125 0.485 19479 163 1 1 . 1 1 37 37 ASN H H 37 9.116 9.116 8.649 0.467 19479 164 1 1 . 1 1 38 38 PHE N N 38 126.469 126.469 128.473 -2.004 19479 165 1 1 . 1 1 38 38 PHE HA H 38 3.393 3.393 3.864 -0.471 19479 166 1 1 . 1 1 38 38 PHE CA C 38 61.965 61.965 62.564 -0.599 19479 167 1 1 . 1 1 38 38 PHE CB C 38 40.851 40.851 38.900 1.951 19479 168 1 1 . 1 1 38 38 PHE H H 38 9.344 9.344 9.030 0.314 19479 169 1 1 . 1 1 39 39 PHE N N 39 112.189 112.189 114.176 -1.987 19479 170 1 1 . 1 1 39 39 PHE HA H 39 3.933 3.933 4.543 -0.610 19479 171 1 1 . 1 1 39 39 PHE CA C 39 59.682 59.682 60.377 -0.695 19479 172 1 1 . 1 1 39 39 PHE CB C 39 38.040 38.040 38.640 -0.600 19479 173 1 1 . 1 1 39 39 PHE H H 39 8.052 8.052 8.070 -0.018 19479 174 1 1 . 1 1 40 40 GLN N N 40 119.928 119.928 119.262 0.666 19479 175 1 1 . 1 1 40 40 GLN HA H 40 4.392 4.392 4.159 0.233 19479 176 1 1 . 1 1 40 40 GLN CA C 40 57.191 57.191 58.270 -1.079 19479 177 1 1 . 1 1 40 40 GLN CB C 40 29.466 29.466 28.653 0.813 19479 178 1 1 . 1 1 40 40 GLN H H 40 8.297 8.297 8.056 0.241 19479 179 1 1 . 1 1 41 41 ILE N N 41 110.997 110.997 116.778 -5.781 19479 180 1 1 . 1 1 41 41 ILE HA H 41 4.493 4.493 3.904 0.589 19479 181 1 1 . 1 1 41 41 ILE CA C 41 61.348 61.348 62.895 -1.547 19479 182 1 1 . 1 1 41 41 ILE CB C 41 37.882 37.882 38.402 -0.520 19479 183 1 1 . 1 1 41 41 ILE H H 41 7.133 7.133 7.789 -0.656 19479 184 1 1 . 1 1 42 42 GLY N N 42 106.355 106.355 105.990 0.365 19479 185 1 1 . 1 1 42 42 GLY CA C 42 44.679 44.679 44.437 0.242 19479 186 1 1 . 1 1 42 42 GLY H H 42 7.433 7.433 7.209 0.224 19479 187 1 1 . 1 1 43 43 GLY N N 43 107.808 107.808 109.434 -1.626 19479 188 1 1 . 1 1 43 43 GLY CA C 43 45.389 45.389 44.448 0.941 19479 189 1 1 . 1 1 43 43 GLY H H 43 7.826 7.826 7.464 0.362 19479 190 1 1 . 1 1 44 44 HIS N N 44 112.337 112.337 116.953 -4.616 19479 191 1 1 . 1 1 44 44 HIS HA H 44 4.979 4.979 5.069 -0.090 19479 192 1 1 . 1 1 44 44 HIS CA C 44 54.773 54.773 54.825 -0.052 19479 193 1 1 . 1 1 44 44 HIS CB C 44 31.867 31.867 31.002 0.866 19479 194 1 1 . 1 1 44 44 HIS H H 44 6.369 6.369 7.781 -1.412 19479 195 1 1 . 1 1 45 45 ALA HA H 45 4.264 4.264 4.210 0.054 19479 196 1 1 . 1 1 45 45 ALA CA C 45 57.581 57.581 55.667 1.914 19479 197 1 1 . 1 1 45 45 ALA CB C 45 18.718 18.718 18.324 0.394 19479 198 1 1 . 1 1 46 46 LEU N N 46 117.791 117.791 118.301 -0.510 19479 199 1 1 . 1 1 46 46 LEU HA H 46 4.420 4.420 4.021 0.399 19479 200 1 1 . 1 1 46 46 LEU CA C 46 58.559 58.559 57.934 0.625 19479 201 1 1 . 1 1 46 46 LEU CB C 46 41.652 41.652 42.081 -0.429 19479 202 1 1 . 1 1 46 46 LEU H H 46 8.807 8.807 8.375 0.432 19479 203 1 1 . 1 1 47 47 LYS N N 47 118.822 118.822 118.297 0.525 19479 204 1 1 . 1 1 47 47 LYS HA H 47 4.200 4.200 3.874 0.326 19479 205 1 1 . 1 1 47 47 LYS CA C 47 58.352 58.352 58.291 0.061 19479 206 1 1 . 1 1 47 47 LYS CB C 47 32.994 32.994 31.308 1.686 19479 207 1 1 . 1 1 47 47 LYS H H 47 7.589 7.589 7.140 0.449 19479 208 1 1 . 1 1 48 48 ALA N N 48 122.769 122.769 122.302 0.467 19479 209 1 1 . 1 1 48 48 ALA HA H 48 3.575 3.575 3.525 0.050 19479 210 1 1 . 1 1 48 48 ALA CA C 48 55.102 55.102 54.846 0.256 19479 211 1 1 . 1 1 48 48 ALA CB C 48 18.239 18.239 17.864 0.375 19479 212 1 1 . 1 1 48 48 ALA H H 48 8.736 8.736 8.239 0.497 19479 213 1 1 . 1 1 49 49 MET N N 49 116.936 116.936 117.128 -0.192 19479 214 1 1 . 1 1 49 49 MET HA H 49 4.169 4.169 4.036 0.133 19479 215 1 1 . 1 1 49 49 MET CA C 49 58.869 58.869 59.273 -0.404 19479 216 1 1 . 1 1 49 49 MET CB C 49 32.511 32.511 32.667 -0.156 19479 217 1 1 . 1 1 49 49 MET H H 49 8.000 8.000 8.145 -0.145 19479 218 1 1 . 1 1 50 50 ALA N N 50 123.686 123.686 122.180 1.506 19479 219 1 1 . 1 1 50 50 ALA HA H 50 4.401 4.401 4.114 0.287 19479 220 1 1 . 1 1 50 50 ALA CA C 50 55.265 55.265 55.112 0.153 19479 221 1 1 . 1 1 50 50 ALA CB C 50 18.320 18.320 18.005 0.315 19479 222 1 1 . 1 1 50 50 ALA H H 50 7.389 7.389 7.765 -0.376 19479 223 1 1 . 1 1 51 51 VAL N N 51 118.885 118.885 119.313 -0.428 19479 224 1 1 . 1 1 51 51 VAL HA H 51 3.437 3.437 3.597 -0.160 19479 225 1 1 . 1 1 51 51 VAL CA C 51 66.975 66.975 65.728 1.247 19479 226 1 1 . 1 1 51 51 VAL CB C 51 31.268 31.268 30.745 0.522 19479 227 1 1 . 1 1 51 51 VAL H H 51 7.981 7.981 7.663 0.318 19479 228 1 1 . 1 1 52 52 ALA N N 52 121.555 121.555 121.635 -0.080 19479 229 1 1 . 1 1 52 52 ALA HA H 52 3.990 3.990 3.894 0.096 19479 230 1 1 . 1 1 52 52 ALA CA C 52 56.056 56.056 54.928 1.127 19479 231 1 1 . 1 1 52 52 ALA CB C 52 18.099 18.099 18.069 0.030 19479 232 1 1 . 1 1 52 52 ALA H H 52 8.499 8.499 7.643 0.856 19479 233 1 1 . 1 1 53 53 ALA N N 53 121.958 121.958 120.560 1.398 19479 234 1 1 . 1 1 53 53 ALA HA H 53 4.346 4.346 4.069 0.277 19479 235 1 1 . 1 1 53 53 ALA CA C 53 55.454 55.454 55.029 0.425 19479 236 1 1 . 1 1 53 53 ALA CB C 53 18.079 18.079 18.318 -0.239 19479 237 1 1 . 1 1 53 53 ALA H H 53 8.238 8.238 7.711 0.527 19479 238 1 1 . 1 1 54 54 GLN N N 54 118.520 118.520 117.816 0.704 19479 239 1 1 . 1 1 54 54 GLN HA H 54 4.157 4.157 4.204 -0.047 19479 240 1 1 . 1 1 54 54 GLN CA C 54 59.303 59.303 58.340 0.963 19479 241 1 1 . 1 1 54 54 GLN CB C 54 28.684 28.684 28.862 -0.178 19479 242 1 1 . 1 1 54 54 GLN H H 54 7.914 7.914 7.703 0.211 19479 243 1 1 . 1 1 55 55 VAL N N 55 121.643 121.643 120.741 0.902 19479 244 1 1 . 1 1 55 55 VAL HA H 55 3.673 3.673 3.974 -0.301 19479 245 1 1 . 1 1 55 55 VAL CA C 55 67.521 67.521 66.386 1.135 19479 246 1 1 . 1 1 55 55 VAL CB C 55 31.569 31.569 31.044 0.525 19479 247 1 1 . 1 1 55 55 VAL H H 55 8.915 8.915 8.184 0.731 19479 248 1 1 . 1 1 56 56 HIS N N 56 120.993 120.993 119.772 1.221 19479 249 1 1 . 1 1 56 56 HIS HA H 56 4.314 4.314 4.700 -0.386 19479 250 1 1 . 1 1 56 56 HIS CA C 56 60.994 60.994 59.313 1.681 19479 251 1 1 . 1 1 56 56 HIS CB C 56 30.226 30.226 29.948 0.278 19479 252 1 1 . 1 1 56 56 HIS H H 56 8.328 8.328 8.468 -0.140 19479 253 1 1 . 1 1 57 57 ARG N N 57 119.241 119.241 117.497 1.744 19479 254 1 1 . 1 1 57 57 ARG HA H 57 3.963 3.963 4.261 -0.298 19479 255 1 1 . 1 1 57 57 ARG CA C 57 59.269 59.269 58.518 0.751 19479 256 1 1 . 1 1 57 57 ARG CB C 57 30.220 30.220 29.902 0.317 19479 257 1 1 . 1 1 57 57 ARG H H 57 7.849 7.849 7.585 0.264 19479 258 1 1 . 1 1 58 58 GLU N N 58 116.079 116.079 119.183 -3.104 19479 259 1 1 . 1 1 58 58 GLU HA H 58 3.944 3.944 4.214 -0.270 19479 260 1 1 . 1 1 58 58 GLU CA C 58 58.351 58.351 58.578 -0.227 19479 261 1 1 . 1 1 58 58 GLU CB C 58 30.571 30.571 30.462 0.109 19479 262 1 1 . 1 1 58 58 GLU H H 58 7.874 7.874 7.969 -0.095 19479 263 1 1 . 1 1 59 59 TYR N N 59 112.274 112.274 116.276 -4.002 19479 264 1 1 . 1 1 59 59 TYR HA H 59 4.686 4.686 4.621 0.065 19479 265 1 1 . 1 1 59 59 TYR CA C 59 58.616 58.616 57.730 0.886 19479 266 1 1 . 1 1 59 59 TYR CB C 59 40.589 40.589 38.399 2.190 19479 267 1 1 . 1 1 59 59 TYR H H 59 8.303 8.303 8.452 -0.149 19479 268 1 1 . 1 1 60 60 GLN N N 60 115.629 115.629 115.054 0.575 19479 269 1 1 . 1 1 60 60 GLN HA H 60 3.481 3.481 4.259 -0.778 19479 270 1 1 . 1 1 60 60 GLN CA C 60 57.418 57.418 56.751 0.667 19479 271 1 1 . 1 1 60 60 GLN CB C 60 25.628 25.628 26.932 -1.304 19479 272 1 1 . 1 1 60 60 GLN H H 60 8.382 8.382 7.849 0.533 19479 273 1 1 . 1 1 61 61 VAL N N 61 114.547 114.547 116.524 -1.977 19479 274 1 1 . 1 1 61 61 VAL HA H 61 4.347 4.347 4.273 0.074 19479 275 1 1 . 1 1 61 61 VAL CA C 61 60.118 60.118 59.762 0.356 19479 276 1 1 . 1 1 61 61 VAL CB C 61 35.547 35.547 35.775 -0.228 19479 277 1 1 . 1 1 61 61 VAL H H 61 6.532 6.532 7.907 -1.375 19479 278 1 1 . 1 1 62 62 GLU N N 62 125.938 125.938 128.132 -2.194 19479 279 1 1 . 1 1 62 62 GLU HA H 62 4.270 4.270 3.553 0.717 19479 280 1 1 . 1 1 62 62 GLU CA C 62 55.857 55.857 56.721 -0.864 19479 281 1 1 . 1 1 62 62 GLU CB C 62 30.334 30.334 30.436 -0.102 19479 282 1 1 . 1 1 62 62 GLU H H 62 8.741 8.741 8.460 0.281 19479 283 1 1 . 1 1 63 63 LEU N N 63 127.837 127.837 128.587 -0.750 19479 284 1 1 . 1 1 63 63 LEU HA H 63 4.845 4.845 4.827 0.018 19479 285 1 1 . 1 1 63 63 LEU CA C 63 50.751 50.751 50.950 -0.199 19479 286 1 1 . 1 1 63 63 LEU CB C 63 43.313 43.313 43.426 -0.113 19479 287 1 1 . 1 1 63 63 LEU H H 63 8.939 8.939 8.455 0.484 19479 288 1 1 . 1 1 64 64 PRO HA H 64 4.446 4.446 4.543 -0.097 19479 289 1 1 . 1 1 64 64 PRO CA C 64 62.060 62.060 62.196 -0.136 19479 290 1 1 . 1 1 64 64 PRO CB C 64 32.346 32.346 32.751 -0.405 19479 291 1 1 . 1 1 65 65 LEU N N 65 126.325 126.325 123.242 3.083 19479 292 1 1 . 1 1 65 65 LEU HA H 65 3.772 3.772 3.937 -0.165 19479 293 1 1 . 1 1 65 65 LEU CA C 65 58.426 58.426 57.815 0.611 19479 294 1 1 . 1 1 65 65 LEU CB C 65 40.688 40.688 42.155 -1.467 19479 295 1 1 . 1 1 65 65 LEU H H 65 8.746 8.746 8.583 0.163 19479 296 1 1 . 1 1 66 66 LYS N N 66 114.157 114.157 118.040 -3.883 19479 297 1 1 . 1 1 66 66 LYS HA H 66 3.999 3.999 4.146 -0.147 19479 298 1 1 . 1 1 66 66 LYS CA C 66 59.383 59.383 58.987 0.396 19479 299 1 1 . 1 1 66 66 LYS CB C 66 32.166 32.166 31.589 0.577 19479 300 1 1 . 1 1 66 66 LYS H H 66 8.551 8.551 8.475 0.076 19479 301 1 1 . 1 1 67 67 VAL N N 67 119.827 119.827 118.976 0.851 19479 302 1 1 . 1 1 67 67 VAL HA H 67 3.611 3.611 3.707 -0.096 19479 303 1 1 . 1 1 67 67 VAL CA C 67 65.655 65.655 64.391 1.264 19479 304 1 1 . 1 1 67 67 VAL CB C 67 31.425 31.425 31.694 -0.269 19479 305 1 1 . 1 1 67 67 VAL H H 67 7.190 7.190 7.622 -0.432 19479 306 1 1 . 1 1 68 68 LEU N N 68 120.867 120.867 122.582 -1.715 19479 307 1 1 . 1 1 68 68 LEU HA H 68 3.922 3.922 3.858 0.064 19479 308 1 1 . 1 1 68 68 LEU CA C 68 58.322 58.322 57.750 0.572 19479 309 1 1 . 1 1 68 68 LEU CB C 68 41.911 41.911 40.834 1.077 19479 310 1 1 . 1 1 68 68 LEU H H 68 6.936 6.936 7.314 -0.378 19479 311 1 1 . 1 1 69 69 PHE N N 69 112.682 112.682 117.381 -4.699 19479 312 1 1 . 1 1 69 69 PHE HA H 69 4.265 4.265 4.727 -0.462 19479 313 1 1 . 1 1 69 69 PHE CA C 69 60.265 60.265 59.972 0.293 19479 314 1 1 . 1 1 69 69 PHE CB C 69 38.725 38.725 38.275 0.450 19479 315 1 1 . 1 1 69 69 PHE H H 69 8.201 8.201 8.426 -0.225 19479 316 1 1 . 1 1 70 70 ALA N N 70 118.803 118.803 121.901 -3.098 19479 317 1 1 . 1 1 70 70 ALA HA H 70 4.302 4.302 3.908 0.394 19479 318 1 1 . 1 1 70 70 ALA CA C 70 54.025 54.025 53.410 0.615 19479 319 1 1 . 1 1 70 70 ALA CB C 70 19.656 19.656 18.955 0.701 19479 320 1 1 . 1 1 70 70 ALA H H 70 7.448 7.448 7.091 0.357 19479 321 1 1 . 1 1 71 71 GLN N N 71 116.280 116.280 115.651 0.629 19479 322 1 1 . 1 1 71 71 GLN HA H 71 4.848 4.848 4.783 0.065 19479 323 1 1 . 1 1 71 71 GLN CA C 71 53.120 53.120 52.275 0.845 19479 324 1 1 . 1 1 71 71 GLN CB C 71 29.026 29.026 29.672 -0.646 19479 325 1 1 . 1 1 71 71 GLN H H 71 7.561 7.561 7.929 -0.368 19479 326 1 1 . 1 1 72 72 PRO HA H 72 4.989 4.989 4.710 0.279 19479 327 1 1 . 1 1 72 72 PRO CA C 72 64.307 64.307 62.928 1.379 19479 328 1 1 . 1 1 72 72 PRO CB C 72 30.240 30.240 30.296 -0.056 19479 329 1 1 . 1 1 73 73 THR N N 73 109.972 109.972 111.717 -1.745 19479 330 1 1 . 1 1 73 73 THR HA H 73 5.198 5.198 5.245 -0.047 19479 331 1 1 . 1 1 73 73 THR CA C 73 59.292 59.292 59.746 -0.454 19479 332 1 1 . 1 1 73 73 THR CB C 73 72.314 72.314 72.950 -0.636 19479 333 1 1 . 1 1 73 73 THR H H 73 8.303 8.303 8.068 0.235 19479 334 1 1 . 1 1 74 74 ILE N N 74 125.105 125.105 123.456 1.649 19479 335 1 1 . 1 1 74 74 ILE HA H 74 3.061 3.061 3.368 -0.307 19479 336 1 1 . 1 1 74 74 ILE CA C 74 66.019 66.019 64.078 1.941 19479 337 1 1 . 1 1 74 74 ILE CB C 74 37.443 37.443 36.831 0.612 19479 338 1 1 . 1 1 74 74 ILE H H 74 9.908 9.908 8.987 0.921 19479 339 1 1 . 1 1 75 75 LYS N N 75 119.445 119.445 120.876 -1.431 19479 340 1 1 . 1 1 75 75 LYS HA H 75 3.797 3.797 3.836 -0.039 19479 341 1 1 . 1 1 75 75 LYS CA C 75 60.205 60.205 60.196 0.009 19479 342 1 1 . 1 1 75 75 LYS CB C 75 33.098 33.098 32.009 1.089 19479 343 1 1 . 1 1 75 75 LYS H H 75 9.024 9.024 7.807 1.217 19479 344 1 1 . 1 1 76 76 ALA N N 76 119.581 119.581 121.804 -2.223 19479 345 1 1 . 1 1 76 76 ALA HA H 76 4.216 4.216 4.055 0.161 19479 346 1 1 . 1 1 76 76 ALA CA C 76 54.809 54.809 54.949 -0.140 19479 347 1 1 . 1 1 76 76 ALA CB C 76 19.422 19.422 18.155 1.267 19479 348 1 1 . 1 1 76 76 ALA H H 76 7.621 7.621 8.143 -0.522 19479 349 1 1 . 1 1 77 77 LEU N N 77 121.833 121.833 118.957 2.876 19479 350 1 1 . 1 1 77 77 LEU HA H 77 4.097 4.097 3.915 0.182 19479 351 1 1 . 1 1 77 77 LEU CA C 77 57.612 57.612 57.657 -0.045 19479 352 1 1 . 1 1 77 77 LEU CB C 77 42.192 42.192 41.249 0.943 19479 353 1 1 . 1 1 77 77 LEU H H 77 8.915 8.915 8.112 0.803 19479 354 1 1 . 1 1 78 78 ALA N N 78 120.481 120.481 121.870 -1.389 19479 355 1 1 . 1 1 78 78 ALA HA H 78 3.751 3.751 3.861 -0.110 19479 356 1 1 . 1 1 78 78 ALA CA C 78 55.117 55.117 55.290 -0.173 19479 357 1 1 . 1 1 78 78 ALA CB C 78 19.603 19.603 18.081 1.522 19479 358 1 1 . 1 1 78 78 ALA H H 78 9.393 9.393 8.552 0.841 19479 359 1 1 . 1 1 79 79 GLN N N 79 117.799 117.799 118.296 -0.497 19479 360 1 1 . 1 1 79 79 GLN HA H 79 4.069 4.069 4.031 0.038 19479 361 1 1 . 1 1 79 79 GLN CA C 79 58.790 58.790 58.735 0.055 19479 362 1 1 . 1 1 79 79 GLN CB C 79 28.256 28.256 29.013 -0.757 19479 363 1 1 . 1 1 79 79 GLN H H 79 7.179 7.179 7.909 -0.730 19479 364 1 1 . 1 1 80 80 TYR N N 80 121.754 121.754 121.891 -0.137 19479 365 1 1 . 1 1 80 80 TYR HA H 80 3.982 3.982 4.098 -0.116 19479 366 1 1 . 1 1 80 80 TYR CA C 80 61.965 61.965 61.517 0.448 19479 367 1 1 . 1 1 80 80 TYR CB C 80 38.227 38.227 38.625 -0.398 19479 368 1 1 . 1 1 80 80 TYR H H 80 7.716 7.716 8.516 -0.800 19479 369 1 1 . 1 1 81 81 VAL N N 81 117.864 117.864 118.821 -0.957 19479 370 1 1 . 1 1 81 81 VAL HA H 81 3.264 3.264 3.410 -0.146 19479 371 1 1 . 1 1 81 81 VAL CA C 81 66.719 66.719 66.289 0.430 19479 372 1 1 . 1 1 81 81 VAL CB C 81 32.032 32.032 31.170 0.862 19479 373 1 1 . 1 1 81 81 VAL H H 81 8.536 8.536 8.560 -0.024 19479 374 1 1 . 1 1 82 82 ALA N N 82 121.044 121.044 123.122 -2.078 19479 375 1 1 . 1 1 82 82 ALA HA H 82 3.931 3.931 3.958 -0.027 19479 376 1 1 . 1 1 82 82 ALA CA C 82 55.130 55.130 54.905 0.225 19479 377 1 1 . 1 1 82 82 ALA CB C 82 18.588 18.588 18.154 0.434 19479 378 1 1 . 1 1 82 82 ALA H H 82 8.420 8.420 8.314 0.106 19479 379 1 1 . 1 1 83 83 THR N N 83 109.020 109.020 111.640 -2.620 19479 380 1 1 . 1 1 83 83 THR HA H 83 4.081 4.081 3.919 0.162 19479 381 1 1 . 1 1 83 83 THR CA C 83 64.388 64.388 64.367 0.021 19479 382 1 1 . 1 1 83 83 THR CB C 83 69.529 69.529 68.887 0.642 19479 383 1 1 . 1 1 83 83 THR H H 83 7.558 7.558 7.870 -0.312 19479 384 1 1 . 1 1 84 84 ARG N N 84 119.856 119.856 119.041 0.815 19479 385 1 1 . 1 1 84 84 ARG HA H 84 4.199 4.199 4.283 -0.084 19479 386 1 1 . 1 1 84 84 ARG CA C 84 56.279 56.279 58.601 -2.322 19479 387 1 1 . 1 1 84 84 ARG CB C 84 30.866 30.866 30.788 0.078 19479 388 1 1 . 1 1 84 84 ARG H H 84 7.368 7.368 7.422 -0.054 19479 389 1 1 . 1 1 85 85 SER N N 85 114.607 114.607 114.177 0.430 19479 390 1 1 . 1 1 85 85 SER HA H 85 4.301 4.301 4.320 -0.019 19479 391 1 1 . 1 1 85 85 SER CA C 85 58.927 58.927 59.977 -1.050 19479 392 1 1 . 1 1 85 85 SER CB C 85 63.778 63.778 63.043 0.735 19479 393 1 1 . 1 1 85 85 SER H H 85 7.783 7.783 7.841 -0.058 19479 394 1 1 . 1 1 86 86 HIS HA H 86 4.608 4.608 4.351 0.257 19479 395 1 1 . 1 1 86 86 HIS CA C 86 56.102 56.102 55.393 0.709 19479 396 1 1 . 1 1 86 86 HIS CB C 86 30.233 30.233 30.458 -0.225 19479 397 1 1 . 1 1 87 87 HIS N N 87 125.453 125.453 120.742 4.711 19479 398 1 1 . 1 1 87 87 HIS HA H 87 4.421 4.421 4.441 -0.020 19479 399 1 1 . 1 1 87 87 HIS CA C 87 57.381 57.381 55.887 1.494 19479 400 1 1 . 1 1 87 87 HIS CB C 87 30.430 30.430 28.785 1.645 19479 401 1 1 . 1 1 87 87 HIS H H 87 8.102 8.102 8.723 -0.621 19479 402 1 2 . 1 1 3 3 VAL HA H 3 4.160 4.160 4.452 -0.292 19479 403 1 2 . 1 1 3 3 VAL CA C 3 63.130 63.130 61.456 1.674 19479 404 1 2 . 1 1 3 3 VAL CB C 3 32.605 32.605 34.212 -1.607 19479 405 1 2 . 1 1 4 4 THR N N 4 117.074 117.074 114.962 2.112 19479 406 1 2 . 1 1 4 4 THR HA H 4 4.454 4.454 4.419 0.035 19479 407 1 2 . 1 1 4 4 THR CA C 4 61.454 61.454 61.257 0.197 19479 408 1 2 . 1 1 4 4 THR CB C 4 70.203 70.203 69.719 0.484 19479 409 1 2 . 1 1 4 4 THR H H 4 8.269 8.269 8.037 0.232 19479 410 1 2 . 1 1 5 5 GLU N N 5 122.628 122.628 118.253 4.375 19479 411 1 2 . 1 1 5 5 GLU HA H 5 4.305 4.305 4.049 0.256 19479 412 1 2 . 1 1 5 5 GLU CA C 5 56.689 56.689 56.425 0.264 19479 413 1 2 . 1 1 5 5 GLU CB C 5 30.297 30.297 29.332 0.965 19479 414 1 2 . 1 1 5 5 GLU H H 5 8.465 8.465 8.683 -0.218 19479 415 1 2 . 1 1 6 6 ALA N N 6 124.915 124.915 121.740 3.175 19479 416 1 2 . 1 1 6 6 ALA HA H 6 4.301 4.301 4.208 0.093 19479 417 1 2 . 1 1 6 6 ALA CA C 6 52.392 52.392 52.971 -0.579 19479 418 1 2 . 1 1 6 6 ALA CB C 6 19.520 19.520 19.770 -0.250 19479 419 1 2 . 1 1 6 6 ALA H H 6 8.333 8.333 7.972 0.361 19479 420 1 2 . 1 1 7 7 GLN N N 7 120.476 120.476 120.580 -0.104 19479 421 1 2 . 1 1 7 7 GLN HA H 7 4.275 4.275 4.582 -0.307 19479 422 1 2 . 1 1 7 7 GLN CA C 7 55.512 55.512 54.256 1.256 19479 423 1 2 . 1 1 7 7 GLN CB C 7 29.495 29.495 30.405 -0.910 19479 424 1 2 . 1 1 7 7 GLN H H 7 8.340 8.340 8.335 0.005 19479 425 1 2 . 1 1 8 8 TYR N N 8 124.499 124.499 121.338 3.161 19479 426 1 2 . 1 1 8 8 TYR HA H 8 4.386 4.386 4.332 0.054 19479 427 1 2 . 1 1 8 8 TYR CA C 8 60.233 60.233 59.293 0.940 19479 428 1 2 . 1 1 8 8 TYR CB C 8 38.173 38.173 38.913 -0.740 19479 429 1 2 . 1 1 8 8 TYR H H 8 8.506 8.506 8.347 0.159 19479 430 1 2 . 1 1 9 9 VAL N N 9 130.011 130.011 128.181 1.830 19479 431 1 2 . 1 1 9 9 VAL HA H 9 3.748 3.748 3.780 -0.032 19479 432 1 2 . 1 1 9 9 VAL CA C 9 61.317 61.317 61.053 0.264 19479 433 1 2 . 1 1 9 9 VAL CB C 9 34.738 34.738 34.343 0.395 19479 434 1 2 . 1 1 9 9 VAL H H 9 6.756 6.756 8.141 -1.385 19479 435 1 2 . 1 1 10 10 ALA N N 10 130.264 130.264 129.473 0.791 19479 436 1 2 . 1 1 10 10 ALA HA H 10 4.172 4.172 4.305 -0.133 19479 437 1 2 . 1 1 10 10 ALA CA C 10 50.602 50.602 50.468 0.134 19479 438 1 2 . 1 1 10 10 ALA CB C 10 17.676 17.676 18.390 -0.713 19479 439 1 2 . 1 1 10 10 ALA H H 10 8.125 8.125 7.882 0.243 19479 440 1 2 . 1 1 11 11 PRO HA H 11 4.186 4.186 4.365 -0.179 19479 441 1 2 . 1 1 11 11 PRO CA C 11 63.808 63.808 62.655 1.153 19479 442 1 2 . 1 1 11 11 PRO CB C 11 32.674 32.674 32.542 0.132 19479 443 1 2 . 1 1 12 12 THR N N 12 113.591 113.591 108.692 4.899 19479 444 1 2 . 1 1 12 12 THR HA H 12 4.469 4.469 4.314 0.155 19479 445 1 2 . 1 1 12 12 THR CA C 12 61.950 61.950 62.203 -0.252 19479 446 1 2 . 1 1 12 12 THR CB C 12 71.622 71.622 69.785 1.837 19479 447 1 2 . 1 1 12 12 THR H H 12 9.701 9.701 8.064 1.637 19479 448 1 2 . 1 1 13 13 ASN N N 13 116.088 116.088 120.038 -3.950 19479 449 1 2 . 1 1 13 13 ASN HA H 13 4.771 4.771 4.906 -0.135 19479 450 1 2 . 1 1 13 13 ASN CA C 13 51.947 51.947 52.148 -0.201 19479 451 1 2 . 1 1 13 13 ASN CB C 13 39.736 39.736 39.849 -0.113 19479 452 1 2 . 1 1 13 13 ASN H H 13 7.423 7.423 7.798 -0.375 19479 453 1 2 . 1 1 14 14 ALA HA H 14 4.136 4.136 3.997 0.139 19479 454 1 2 . 1 1 14 14 ALA CA C 14 55.484 55.484 54.908 0.576 19479 455 1 2 . 1 1 14 14 ALA CB C 14 19.020 19.020 18.472 0.548 19479 456 1 2 . 1 1 15 15 VAL N N 15 120.332 120.332 118.868 1.464 19479 457 1 2 . 1 1 15 15 VAL HA H 15 4.191 4.191 3.854 0.337 19479 458 1 2 . 1 1 15 15 VAL CA C 15 65.158 65.158 65.777 -0.619 19479 459 1 2 . 1 1 15 15 VAL CB C 15 31.513 31.513 30.933 0.580 19479 460 1 2 . 1 1 15 15 VAL H H 15 7.938 7.938 8.181 -0.243 19479 461 1 2 . 1 1 16 16 GLU N N 16 118.751 118.751 119.473 -0.722 19479 462 1 2 . 1 1 16 16 GLU HA H 16 3.550 3.550 3.895 -0.345 19479 463 1 2 . 1 1 16 16 GLU CA C 16 59.495 59.495 59.758 -0.263 19479 464 1 2 . 1 1 16 16 GLU CB C 16 30.851 30.851 28.976 1.875 19479 465 1 2 . 1 1 16 16 GLU H H 16 8.470 8.470 8.579 -0.109 19479 466 1 2 . 1 1 17 17 SER N N 17 112.637 112.637 114.436 -1.799 19479 467 1 2 . 1 1 17 17 SER HA H 17 3.968 3.968 4.112 -0.144 19479 468 1 2 . 1 1 17 17 SER CA C 17 62.523 62.523 61.657 0.866 19479 469 1 2 . 1 1 17 17 SER CB C 17 62.669 62.669 62.807 -0.138 19479 470 1 2 . 1 1 17 17 SER H H 17 8.386 8.386 8.190 0.196 19479 471 1 2 . 1 1 18 18 LYS N N 18 124.394 124.394 121.485 2.909 19479 472 1 2 . 1 1 18 18 LYS HA H 18 4.287 4.287 4.040 0.247 19479 473 1 2 . 1 1 18 18 LYS CA C 18 57.421 57.421 59.396 -1.975 19479 474 1 2 . 1 1 18 18 LYS CB C 18 30.018 30.018 32.401 -2.383 19479 475 1 2 . 1 1 18 18 LYS H H 18 8.104 8.104 7.492 0.612 19479 476 1 2 . 1 1 19 19 LEU N N 19 118.589 118.589 119.853 -1.264 19479 477 1 2 . 1 1 19 19 LEU HA H 19 4.027 4.027 4.085 -0.058 19479 478 1 2 . 1 1 19 19 LEU CA C 19 58.178 58.178 58.498 -0.320 19479 479 1 2 . 1 1 19 19 LEU CB C 19 42.135 42.135 41.501 0.634 19479 480 1 2 . 1 1 19 19 LEU H H 19 8.742 8.742 7.700 1.042 19479 481 1 2 . 1 1 20 20 ALA N N 20 121.037 121.037 120.916 0.121 19479 482 1 2 . 1 1 20 20 ALA HA H 20 3.775 3.775 3.698 0.077 19479 483 1 2 . 1 1 20 20 ALA CA C 20 56.194 56.194 55.195 0.999 19479 484 1 2 . 1 1 20 20 ALA CB C 20 16.862 16.862 17.991 -1.129 19479 485 1 2 . 1 1 20 20 ALA H H 20 8.199 8.199 8.159 0.040 19479 486 1 2 . 1 1 21 21 GLU N N 21 118.948 118.948 118.800 0.148 19479 487 1 2 . 1 1 21 21 GLU HA H 21 4.129 4.129 4.166 -0.037 19479 488 1 2 . 1 1 21 21 GLU CA C 21 59.788 59.788 59.348 0.440 19479 489 1 2 . 1 1 21 21 GLU CB C 21 29.887 29.887 29.695 0.192 19479 490 1 2 . 1 1 21 21 GLU H H 21 7.716 7.716 7.587 0.129 19479 491 1 2 . 1 1 22 22 ILE N N 22 120.355 120.355 120.330 0.025 19479 492 1 2 . 1 1 22 22 ILE HA H 22 3.780 3.780 3.793 -0.013 19479 493 1 2 . 1 1 22 22 ILE CA C 22 65.850 65.850 65.151 0.699 19479 494 1 2 . 1 1 22 22 ILE CB C 22 38.677 38.677 37.766 0.911 19479 495 1 2 . 1 1 22 22 ILE H H 22 8.409 8.409 7.939 0.470 19479 496 1 2 . 1 1 23 23 TRP N N 23 120.272 120.272 119.740 0.532 19479 497 1 2 . 1 1 23 23 TRP HA H 23 4.191 4.191 4.333 -0.142 19479 498 1 2 . 1 1 23 23 TRP CA C 23 61.819 61.819 61.274 0.545 19479 499 1 2 . 1 1 23 23 TRP CB C 23 29.177 29.177 28.434 0.743 19479 500 1 2 . 1 1 23 23 TRP H H 23 9.551 9.551 8.579 0.972 19479 501 1 2 . 1 1 24 24 GLU N N 24 119.281 119.281 118.879 0.402 19479 502 1 2 . 1 1 24 24 GLU HA H 24 4.210 4.210 4.048 0.162 19479 503 1 2 . 1 1 24 24 GLU CA C 24 60.695 60.695 59.728 0.967 19479 504 1 2 . 1 1 24 24 GLU CB C 24 29.397 29.397 29.188 0.209 19479 505 1 2 . 1 1 24 24 GLU H H 24 9.039 9.039 7.896 1.143 19479 506 1 2 . 1 1 25 25 ARG N N 25 119.408 119.408 118.839 0.569 19479 507 1 2 . 1 1 25 25 ARG HA H 25 4.205 4.205 4.140 0.065 19479 508 1 2 . 1 1 25 25 ARG CA C 25 59.015 59.015 58.952 0.063 19479 509 1 2 . 1 1 25 25 ARG CB C 25 30.246 30.246 30.339 -0.093 19479 510 1 2 . 1 1 25 25 ARG H H 25 8.060 8.060 7.953 0.107 19479 511 1 2 . 1 1 26 26 VAL N N 26 119.220 119.220 118.819 0.401 19479 512 1 2 . 1 1 26 26 VAL HA H 26 3.782 3.782 3.907 -0.125 19479 513 1 2 . 1 1 26 26 VAL CA C 26 65.845 65.845 65.294 0.551 19479 514 1 2 . 1 1 26 26 VAL CB C 26 32.717 32.717 32.505 0.212 19479 515 1 2 . 1 1 26 26 VAL H H 26 8.475 8.475 7.536 0.939 19479 516 1 2 . 1 1 27 27 LEU N N 27 116.095 116.095 116.617 -0.522 19479 517 1 2 . 1 1 27 27 LEU HA H 27 4.018 4.018 4.042 -0.024 19479 518 1 2 . 1 1 27 27 LEU CA C 27 55.757 55.757 55.743 0.014 19479 519 1 2 . 1 1 27 27 LEU CB C 27 42.504 42.504 42.005 0.499 19479 520 1 2 . 1 1 27 27 LEU H H 27 9.005 9.005 8.267 0.738 19479 521 1 2 . 1 1 28 28 GLY N N 28 108.722 108.722 106.928 1.794 19479 522 1 2 . 1 1 28 28 GLY CA C 28 46.721 46.721 45.573 1.148 19479 523 1 2 . 1 1 28 28 GLY H H 28 8.056 8.056 7.974 0.082 19479 524 1 2 . 1 1 29 29 VAL N N 29 115.103 115.103 116.313 -1.210 19479 525 1 2 . 1 1 29 29 VAL HA H 29 4.457 4.457 4.637 -0.180 19479 526 1 2 . 1 1 29 29 VAL CA C 29 59.845 59.845 59.688 0.157 19479 527 1 2 . 1 1 29 29 VAL CB C 29 35.477 35.477 33.559 1.919 19479 528 1 2 . 1 1 29 29 VAL H H 29 7.044 7.044 7.454 -0.410 19479 529 1 2 . 1 1 30 30 SER N N 30 115.417 115.417 115.605 -0.188 19479 530 1 2 . 1 1 30 30 SER HA H 30 4.683 4.683 4.829 -0.146 19479 531 1 2 . 1 1 30 30 SER CA C 30 56.970 56.970 58.285 -1.315 19479 532 1 2 . 1 1 30 30 SER CB C 30 65.294 65.294 63.862 1.432 19479 533 1 2 . 1 1 30 30 SER H H 30 8.151 8.151 8.240 -0.089 19479 534 1 2 . 1 1 31 31 GLY N N 31 112.008 112.008 115.937 -3.929 19479 535 1 2 . 1 1 31 31 GLY CA C 31 46.545 46.545 45.023 1.522 19479 536 1 2 . 1 1 31 31 GLY H H 31 8.573 8.573 9.500 -0.927 19479 537 1 2 . 1 1 32 32 ILE N N 32 121.204 121.204 121.848 -0.644 19479 538 1 2 . 1 1 32 32 ILE HA H 32 3.898 3.898 4.442 -0.544 19479 539 1 2 . 1 1 32 32 ILE CA C 32 63.126 63.126 60.129 2.997 19479 540 1 2 . 1 1 32 32 ILE CB C 32 38.993 38.993 37.367 1.626 19479 541 1 2 . 1 1 32 32 ILE H H 32 8.241 8.241 8.203 0.038 19479 542 1 2 . 1 1 33 33 GLY N N 33 115.038 115.038 114.335 0.703 19479 543 1 2 . 1 1 33 33 GLY CA C 33 44.330 44.330 43.258 1.072 19479 544 1 2 . 1 1 33 33 GLY H H 33 8.760 8.760 7.920 0.840 19479 545 1 2 . 1 1 34 34 ILE N N 34 110.067 110.067 118.742 -8.675 19479 546 1 2 . 1 1 34 34 ILE HA H 34 4.017 4.017 3.883 0.134 19479 547 1 2 . 1 1 34 34 ILE CA C 34 64.500 64.500 64.399 0.101 19479 548 1 2 . 1 1 34 34 ILE CB C 34 37.731 37.731 38.123 -0.392 19479 549 1 2 . 1 1 34 34 ILE H H 34 8.566 8.566 8.495 0.071 19479 550 1 2 . 1 1 35 35 LEU N N 35 117.052 117.052 113.781 3.271 19479 551 1 2 . 1 1 35 35 LEU HA H 35 4.692 4.692 4.533 0.159 19479 552 1 2 . 1 1 35 35 LEU CA C 35 53.247 53.247 53.619 -0.372 19479 553 1 2 . 1 1 35 35 LEU CB C 35 42.094 42.094 40.980 1.114 19479 554 1 2 . 1 1 35 35 LEU H H 35 8.191 8.191 7.709 0.482 19479 555 1 2 . 1 1 36 36 ASP N N 36 121.535 121.535 122.199 -0.664 19479 556 1 2 . 1 1 36 36 ASP HA H 36 4.387 4.387 4.594 -0.207 19479 557 1 2 . 1 1 36 36 ASP CA C 36 55.244 55.244 54.671 0.573 19479 558 1 2 . 1 1 36 36 ASP CB C 36 41.170 41.170 42.245 -1.075 19479 559 1 2 . 1 1 36 36 ASP H H 36 7.098 7.098 7.458 -0.360 19479 560 1 2 . 1 1 37 37 ASN N N 37 123.266 123.266 125.237 -1.971 19479 561 1 2 . 1 1 37 37 ASN HA H 37 4.954 4.954 5.177 -0.223 19479 562 1 2 . 1 1 37 37 ASN CA C 37 53.319 53.319 53.872 -0.553 19479 563 1 2 . 1 1 37 37 ASN CB C 37 39.610 39.610 39.234 0.376 19479 564 1 2 . 1 1 37 37 ASN H H 37 9.116 9.116 8.716 0.400 19479 565 1 2 . 1 1 38 38 PHE N N 38 126.469 126.469 127.525 -1.056 19479 566 1 2 . 1 1 38 38 PHE HA H 38 3.393 3.393 3.686 -0.293 19479 567 1 2 . 1 1 38 38 PHE CA C 38 61.965 61.965 62.745 -0.780 19479 568 1 2 . 1 1 38 38 PHE CB C 38 40.851 40.851 38.827 2.024 19479 569 1 2 . 1 1 38 38 PHE H H 38 9.344 9.344 8.664 0.680 19479 570 1 2 . 1 1 39 39 PHE N N 39 112.189 112.189 114.046 -1.857 19479 571 1 2 . 1 1 39 39 PHE HA H 39 3.933 3.933 4.562 -0.629 19479 572 1 2 . 1 1 39 39 PHE CA C 39 59.682 59.682 60.044 -0.362 19479 573 1 2 . 1 1 39 39 PHE CB C 39 38.040 38.040 38.825 -0.785 19479 574 1 2 . 1 1 39 39 PHE H H 39 8.052 8.052 8.276 -0.224 19479 575 1 2 . 1 1 40 40 GLN N N 40 119.928 119.928 120.760 -0.832 19479 576 1 2 . 1 1 40 40 GLN HA H 40 4.392 4.392 4.165 0.227 19479 577 1 2 . 1 1 40 40 GLN CA C 40 57.191 57.191 58.288 -1.097 19479 578 1 2 . 1 1 40 40 GLN CB C 40 29.466 29.466 28.487 0.979 19479 579 1 2 . 1 1 40 40 GLN H H 40 8.297 8.297 7.856 0.441 19479 580 1 2 . 1 1 41 41 ILE N N 41 110.997 110.997 116.701 -5.704 19479 581 1 2 . 1 1 41 41 ILE HA H 41 4.493 4.493 3.903 0.590 19479 582 1 2 . 1 1 41 41 ILE CA C 41 61.348 61.348 62.425 -1.077 19479 583 1 2 . 1 1 41 41 ILE CB C 41 37.882 37.882 38.321 -0.439 19479 584 1 2 . 1 1 41 41 ILE H H 41 7.133 7.133 7.816 -0.683 19479 585 1 2 . 1 1 42 42 GLY N N 42 106.355 106.355 106.344 0.011 19479 586 1 2 . 1 1 42 42 GLY CA C 42 44.679 44.679 44.572 0.107 19479 587 1 2 . 1 1 42 42 GLY H H 42 7.433 7.433 7.369 0.064 19479 588 1 2 . 1 1 43 43 GLY N N 43 107.808 107.808 108.778 -0.970 19479 589 1 2 . 1 1 43 43 GLY CA C 43 45.389 45.389 44.319 1.070 19479 590 1 2 . 1 1 43 43 GLY H H 43 7.826 7.826 7.260 0.566 19479 591 1 2 . 1 1 44 44 HIS N N 44 112.337 112.337 120.127 -7.790 19479 592 1 2 . 1 1 44 44 HIS HA H 44 4.979 4.979 5.024 -0.045 19479 593 1 2 . 1 1 44 44 HIS CA C 44 54.773 54.773 53.651 1.122 19479 594 1 2 . 1 1 44 44 HIS CB C 44 31.867 31.867 31.758 0.109 19479 595 1 2 . 1 1 44 44 HIS H H 44 6.369 6.369 7.349 -0.980 19479 596 1 2 . 1 1 45 45 ALA HA H 45 4.264 4.264 4.296 -0.032 19479 597 1 2 . 1 1 45 45 ALA CA C 45 57.581 57.581 55.640 1.941 19479 598 1 2 . 1 1 45 45 ALA CB C 45 18.718 18.718 18.268 0.450 19479 599 1 2 . 1 1 46 46 LEU N N 46 117.791 117.791 118.418 -0.627 19479 600 1 2 . 1 1 46 46 LEU HA H 46 4.420 4.420 4.036 0.384 19479 601 1 2 . 1 1 46 46 LEU CA C 46 58.559 58.559 57.804 0.755 19479 602 1 2 . 1 1 46 46 LEU CB C 46 41.652 41.652 42.136 -0.484 19479 603 1 2 . 1 1 46 46 LEU H H 46 8.807 8.807 8.462 0.345 19479 604 1 2 . 1 1 47 47 LYS N N 47 118.822 118.822 118.083 0.739 19479 605 1 2 . 1 1 47 47 LYS HA H 47 4.200 4.200 3.910 0.290 19479 606 1 2 . 1 1 47 47 LYS CA C 47 58.352 58.352 58.304 0.048 19479 607 1 2 . 1 1 47 47 LYS CB C 47 32.994 32.994 31.393 1.601 19479 608 1 2 . 1 1 47 47 LYS H H 47 7.589 7.589 7.253 0.336 19479 609 1 2 . 1 1 48 48 ALA N N 48 122.769 122.769 122.326 0.443 19479 610 1 2 . 1 1 48 48 ALA HA H 48 3.575 3.575 3.207 0.368 19479 611 1 2 . 1 1 48 48 ALA CA C 48 55.102 55.102 54.748 0.354 19479 612 1 2 . 1 1 48 48 ALA CB C 48 18.239 18.239 17.799 0.440 19479 613 1 2 . 1 1 48 48 ALA H H 48 8.736 8.736 8.231 0.505 19479 614 1 2 . 1 1 49 49 MET N N 49 116.936 116.936 117.194 -0.258 19479 615 1 2 . 1 1 49 49 MET HA H 49 4.169 4.169 4.025 0.144 19479 616 1 2 . 1 1 49 49 MET CA C 49 58.869 58.869 59.218 -0.348 19479 617 1 2 . 1 1 49 49 MET CB C 49 32.511 32.511 32.593 -0.082 19479 618 1 2 . 1 1 49 49 MET H H 49 8.000 8.000 7.738 0.262 19479 619 1 2 . 1 1 50 50 ALA N N 50 123.686 123.686 122.516 1.170 19479 620 1 2 . 1 1 50 50 ALA HA H 50 4.401 4.401 4.071 0.330 19479 621 1 2 . 1 1 50 50 ALA CA C 50 55.265 55.265 55.315 -0.050 19479 622 1 2 . 1 1 50 50 ALA CB C 50 18.320 18.320 17.968 0.352 19479 623 1 2 . 1 1 50 50 ALA H H 50 7.389 7.389 7.734 -0.345 19479 624 1 2 . 1 1 51 51 VAL N N 51 118.885 118.885 118.226 0.659 19479 625 1 2 . 1 1 51 51 VAL HA H 51 3.437 3.437 3.653 -0.216 19479 626 1 2 . 1 1 51 51 VAL CA C 51 66.975 66.975 65.332 1.643 19479 627 1 2 . 1 1 51 51 VAL CB C 51 31.268 31.268 30.448 0.820 19479 628 1 2 . 1 1 51 51 VAL H H 51 7.981 7.981 7.637 0.344 19479 629 1 2 . 1 1 52 52 ALA N N 52 121.555 121.555 122.517 -0.962 19479 630 1 2 . 1 1 52 52 ALA HA H 52 3.990 3.990 3.896 0.094 19479 631 1 2 . 1 1 52 52 ALA CA C 52 56.056 56.056 55.038 1.018 19479 632 1 2 . 1 1 52 52 ALA CB C 52 18.099 18.099 18.044 0.055 19479 633 1 2 . 1 1 52 52 ALA H H 52 8.499 8.499 7.653 0.846 19479 634 1 2 . 1 1 53 53 ALA N N 53 121.958 121.958 120.299 1.659 19479 635 1 2 . 1 1 53 53 ALA HA H 53 4.346 4.346 4.080 0.266 19479 636 1 2 . 1 1 53 53 ALA CA C 53 55.454 55.454 55.045 0.409 19479 637 1 2 . 1 1 53 53 ALA CB C 53 18.079 18.079 18.295 -0.216 19479 638 1 2 . 1 1 53 53 ALA H H 53 8.238 8.238 8.125 0.113 19479 639 1 2 . 1 1 54 54 GLN N N 54 118.520 118.520 118.172 0.348 19479 640 1 2 . 1 1 54 54 GLN HA H 54 4.157 4.157 4.170 -0.013 19479 641 1 2 . 1 1 54 54 GLN CA C 54 59.303 59.303 58.475 0.828 19479 642 1 2 . 1 1 54 54 GLN CB C 54 28.684 28.684 28.979 -0.295 19479 643 1 2 . 1 1 54 54 GLN H H 54 7.914 7.914 7.710 0.204 19479 644 1 2 . 1 1 55 55 VAL N N 55 121.643 121.643 121.470 0.173 19479 645 1 2 . 1 1 55 55 VAL HA H 55 3.673 3.673 3.950 -0.277 19479 646 1 2 . 1 1 55 55 VAL CA C 55 67.521 67.521 67.260 0.261 19479 647 1 2 . 1 1 55 55 VAL CB C 55 31.569 31.569 31.554 0.015 19479 648 1 2 . 1 1 55 55 VAL H H 55 8.915 8.915 8.543 0.372 19479 649 1 2 . 1 1 56 56 HIS N N 56 120.993 120.993 119.254 1.739 19479 650 1 2 . 1 1 56 56 HIS HA H 56 4.314 4.314 4.717 -0.403 19479 651 1 2 . 1 1 56 56 HIS CA C 56 60.994 60.994 58.912 2.082 19479 652 1 2 . 1 1 56 56 HIS CB C 56 30.226 30.226 29.931 0.295 19479 653 1 2 . 1 1 56 56 HIS H H 56 8.328 8.328 8.370 -0.042 19479 654 1 2 . 1 1 57 57 ARG N N 57 119.241 119.241 117.897 1.344 19479 655 1 2 . 1 1 57 57 ARG HA H 57 3.963 3.963 4.267 -0.304 19479 656 1 2 . 1 1 57 57 ARG CA C 57 59.269 59.269 58.560 0.709 19479 657 1 2 . 1 1 57 57 ARG CB C 57 30.220 30.220 29.896 0.324 19479 658 1 2 . 1 1 57 57 ARG H H 57 7.849 7.849 7.627 0.222 19479 659 1 2 . 1 1 58 58 GLU N N 58 116.079 116.079 118.954 -2.875 19479 660 1 2 . 1 1 58 58 GLU HA H 58 3.944 3.944 4.191 -0.247 19479 661 1 2 . 1 1 58 58 GLU CA C 58 58.351 58.351 58.664 -0.313 19479 662 1 2 . 1 1 58 58 GLU CB C 58 30.571 30.571 30.535 0.035 19479 663 1 2 . 1 1 58 58 GLU H H 58 7.874 7.874 8.192 -0.318 19479 664 1 2 . 1 1 59 59 TYR N N 59 112.274 112.274 116.106 -3.832 19479 665 1 2 . 1 1 59 59 TYR HA H 59 4.686 4.686 4.532 0.154 19479 666 1 2 . 1 1 59 59 TYR CA C 59 58.616 58.616 58.588 0.028 19479 667 1 2 . 1 1 59 59 TYR CB C 59 40.589 40.589 38.524 2.065 19479 668 1 2 . 1 1 59 59 TYR H H 59 8.303 8.303 8.300 0.003 19479 669 1 2 . 1 1 60 60 GLN N N 60 115.629 115.629 115.746 -0.117 19479 670 1 2 . 1 1 60 60 GLN HA H 60 3.481 3.481 4.311 -0.830 19479 671 1 2 . 1 1 60 60 GLN CA C 60 57.418 57.418 56.707 0.711 19479 672 1 2 . 1 1 60 60 GLN CB C 60 25.628 25.628 26.988 -1.360 19479 673 1 2 . 1 1 60 60 GLN H H 60 8.382 8.382 7.723 0.659 19479 674 1 2 . 1 1 61 61 VAL N N 61 114.547 114.547 116.376 -1.829 19479 675 1 2 . 1 1 61 61 VAL HA H 61 4.347 4.347 4.258 0.089 19479 676 1 2 . 1 1 61 61 VAL CA C 61 60.118 60.118 60.028 0.090 19479 677 1 2 . 1 1 61 61 VAL CB C 61 35.547 35.547 35.669 -0.122 19479 678 1 2 . 1 1 61 61 VAL H H 61 6.532 6.532 7.910 -1.378 19479 679 1 2 . 1 1 62 62 GLU N N 62 125.938 125.938 128.793 -2.855 19479 680 1 2 . 1 1 62 62 GLU HA H 62 4.270 4.270 3.423 0.847 19479 681 1 2 . 1 1 62 62 GLU CA C 62 55.857 55.857 56.736 -0.879 19479 682 1 2 . 1 1 62 62 GLU CB C 62 30.334 30.334 30.304 0.030 19479 683 1 2 . 1 1 62 62 GLU H H 62 8.741 8.741 8.369 0.372 19479 684 1 2 . 1 1 63 63 LEU N N 63 127.837 127.837 128.010 -0.173 19479 685 1 2 . 1 1 63 63 LEU HA H 63 4.845 4.845 4.835 0.010 19479 686 1 2 . 1 1 63 63 LEU CA C 63 50.751 50.751 51.361 -0.610 19479 687 1 2 . 1 1 63 63 LEU CB C 63 43.313 43.313 43.405 -0.092 19479 688 1 2 . 1 1 63 63 LEU H H 63 8.939 8.939 8.531 0.408 19479 689 1 2 . 1 1 64 64 PRO HA H 64 4.446 4.446 4.527 -0.081 19479 690 1 2 . 1 1 64 64 PRO CA C 64 62.060 62.060 62.167 -0.107 19479 691 1 2 . 1 1 64 64 PRO CB C 64 32.346 32.346 32.850 -0.504 19479 692 1 2 . 1 1 65 65 LEU N N 65 126.325 126.325 123.937 2.388 19479 693 1 2 . 1 1 65 65 LEU HA H 65 3.772 3.772 3.986 -0.214 19479 694 1 2 . 1 1 65 65 LEU CA C 65 58.426 58.426 58.168 0.258 19479 695 1 2 . 1 1 65 65 LEU CB C 65 40.688 40.688 41.927 -1.239 19479 696 1 2 . 1 1 65 65 LEU H H 65 8.746 8.746 8.566 0.180 19479 697 1 2 . 1 1 66 66 LYS N N 66 114.157 114.157 118.528 -4.371 19479 698 1 2 . 1 1 66 66 LYS HA H 66 3.999 3.999 4.454 -0.455 19479 699 1 2 . 1 1 66 66 LYS CA C 66 59.383 59.383 59.093 0.290 19479 700 1 2 . 1 1 66 66 LYS CB C 66 32.166 32.166 31.760 0.406 19479 701 1 2 . 1 1 66 66 LYS H H 66 8.551 8.551 8.455 0.096 19479 702 1 2 . 1 1 67 67 VAL N N 67 119.827 119.827 119.310 0.517 19479 703 1 2 . 1 1 67 67 VAL HA H 67 3.611 3.611 3.766 -0.155 19479 704 1 2 . 1 1 67 67 VAL CA C 67 65.655 65.655 65.121 0.534 19479 705 1 2 . 1 1 67 67 VAL CB C 67 31.425 31.425 31.874 -0.449 19479 706 1 2 . 1 1 67 67 VAL H H 67 7.190 7.190 7.705 -0.515 19479 707 1 2 . 1 1 68 68 LEU N N 68 120.867 120.867 122.276 -1.409 19479 708 1 2 . 1 1 68 68 LEU HA H 68 3.922 3.922 3.907 0.015 19479 709 1 2 . 1 1 68 68 LEU CA C 68 58.322 58.322 58.020 0.301 19479 710 1 2 . 1 1 68 68 LEU CB C 68 41.911 41.911 41.238 0.673 19479 711 1 2 . 1 1 68 68 LEU H H 68 6.936 6.936 7.465 -0.529 19479 712 1 2 . 1 1 69 69 PHE N N 69 112.682 112.682 117.120 -4.438 19479 713 1 2 . 1 1 69 69 PHE HA H 69 4.265 4.265 4.686 -0.421 19479 714 1 2 . 1 1 69 69 PHE CA C 69 60.265 60.265 60.225 0.040 19479 715 1 2 . 1 1 69 69 PHE CB C 69 38.725 38.725 38.728 -0.004 19479 716 1 2 . 1 1 69 69 PHE H H 69 8.201 8.201 8.546 -0.345 19479 717 1 2 . 1 1 70 70 ALA N N 70 118.803 118.803 121.554 -2.751 19479 718 1 2 . 1 1 70 70 ALA HA H 70 4.302 4.302 3.503 0.799 19479 719 1 2 . 1 1 70 70 ALA CA C 70 54.025 54.025 53.129 0.896 19479 720 1 2 . 1 1 70 70 ALA CB C 70 19.656 19.656 18.954 0.702 19479 721 1 2 . 1 1 70 70 ALA H H 70 7.448 7.448 7.389 0.059 19479 722 1 2 . 1 1 71 71 GLN N N 71 116.280 116.280 115.450 0.830 19479 723 1 2 . 1 1 71 71 GLN HA H 71 4.848 4.848 4.743 0.105 19479 724 1 2 . 1 1 71 71 GLN CA C 71 53.120 53.120 52.427 0.693 19479 725 1 2 . 1 1 71 71 GLN CB C 71 29.026 29.026 29.746 -0.720 19479 726 1 2 . 1 1 71 71 GLN H H 71 7.561 7.561 8.087 -0.526 19479 727 1 2 . 1 1 72 72 PRO HA H 72 4.989 4.989 4.781 0.208 19479 728 1 2 . 1 1 72 72 PRO CA C 72 64.307 64.307 63.306 1.001 19479 729 1 2 . 1 1 72 72 PRO CB C 72 30.240 30.240 30.724 -0.484 19479 730 1 2 . 1 1 73 73 THR N N 73 109.972 109.972 112.655 -2.683 19479 731 1 2 . 1 1 73 73 THR HA H 73 5.198 5.198 5.320 -0.122 19479 732 1 2 . 1 1 73 73 THR CA C 73 59.292 59.292 59.630 -0.338 19479 733 1 2 . 1 1 73 73 THR CB C 73 72.314 72.314 73.055 -0.741 19479 734 1 2 . 1 1 73 73 THR H H 73 8.303 8.303 8.226 0.077 19479 735 1 2 . 1 1 74 74 ILE N N 74 125.105 125.105 124.294 0.811 19479 736 1 2 . 1 1 74 74 ILE HA H 74 3.061 3.061 3.226 -0.165 19479 737 1 2 . 1 1 74 74 ILE CA C 74 66.019 66.019 64.324 1.695 19479 738 1 2 . 1 1 74 74 ILE CB C 74 37.443 37.443 36.801 0.642 19479 739 1 2 . 1 1 74 74 ILE H H 74 9.908 9.908 8.850 1.058 19479 740 1 2 . 1 1 75 75 LYS N N 75 119.445 119.445 120.333 -0.888 19479 741 1 2 . 1 1 75 75 LYS HA H 75 3.797 3.797 4.255 -0.458 19479 742 1 2 . 1 1 75 75 LYS CA C 75 60.205 60.205 59.899 0.306 19479 743 1 2 . 1 1 75 75 LYS CB C 75 33.098 33.098 32.114 0.984 19479 744 1 2 . 1 1 75 75 LYS H H 75 9.024 9.024 8.162 0.862 19479 745 1 2 . 1 1 76 76 ALA N N 76 119.581 119.581 122.018 -2.437 19479 746 1 2 . 1 1 76 76 ALA HA H 76 4.216 4.216 4.133 0.083 19479 747 1 2 . 1 1 76 76 ALA CA C 76 54.809 54.809 54.766 0.043 19479 748 1 2 . 1 1 76 76 ALA CB C 76 19.422 19.422 18.437 0.985 19479 749 1 2 . 1 1 76 76 ALA H H 76 7.621 7.621 7.486 0.135 19479 750 1 2 . 1 1 77 77 LEU N N 77 121.833 121.833 119.173 2.660 19479 751 1 2 . 1 1 77 77 LEU HA H 77 4.097 4.097 4.038 0.059 19479 752 1 2 . 1 1 77 77 LEU CA C 77 57.612 57.612 57.525 0.087 19479 753 1 2 . 1 1 77 77 LEU CB C 77 42.192 42.192 41.438 0.754 19479 754 1 2 . 1 1 77 77 LEU H H 77 8.915 8.915 7.943 0.972 19479 755 1 2 . 1 1 78 78 ALA N N 78 120.481 120.481 122.321 -1.840 19479 756 1 2 . 1 1 78 78 ALA HA H 78 3.751 3.751 3.845 -0.094 19479 757 1 2 . 1 1 78 78 ALA CA C 78 55.117 55.117 55.608 -0.491 19479 758 1 2 . 1 1 78 78 ALA CB C 78 19.603 19.603 18.238 1.365 19479 759 1 2 . 1 1 78 78 ALA H H 78 9.393 9.393 8.723 0.670 19479 760 1 2 . 1 1 79 79 GLN N N 79 117.799 117.799 117.470 0.329 19479 761 1 2 . 1 1 79 79 GLN HA H 79 4.069 4.069 3.962 0.107 19479 762 1 2 . 1 1 79 79 GLN CA C 79 58.790 58.790 58.444 0.346 19479 763 1 2 . 1 1 79 79 GLN CB C 79 28.256 28.256 28.503 -0.247 19479 764 1 2 . 1 1 79 79 GLN H H 79 7.179 7.179 7.846 -0.667 19479 765 1 2 . 1 1 80 80 TYR N N 80 121.754 121.754 122.518 -0.764 19479 766 1 2 . 1 1 80 80 TYR HA H 80 3.982 3.982 4.061 -0.079 19479 767 1 2 . 1 1 80 80 TYR CA C 80 61.965 61.965 61.554 0.411 19479 768 1 2 . 1 1 80 80 TYR CB C 80 38.227 38.227 38.672 -0.445 19479 769 1 2 . 1 1 80 80 TYR H H 80 7.716 7.716 7.996 -0.280 19479 770 1 2 . 1 1 81 81 VAL N N 81 117.864 117.864 118.761 -0.897 19479 771 1 2 . 1 1 81 81 VAL HA H 81 3.264 3.264 3.250 0.014 19479 772 1 2 . 1 1 81 81 VAL CA C 81 66.719 66.719 66.085 0.634 19479 773 1 2 . 1 1 81 81 VAL CB C 81 32.032 32.032 31.460 0.572 19479 774 1 2 . 1 1 81 81 VAL H H 81 8.536 8.536 8.577 -0.041 19479 775 1 2 . 1 1 82 82 ALA N N 82 121.044 121.044 122.420 -1.376 19479 776 1 2 . 1 1 82 82 ALA HA H 82 3.931 3.931 3.883 0.048 19479 777 1 2 . 1 1 82 82 ALA CA C 82 55.130 55.130 54.941 0.189 19479 778 1 2 . 1 1 82 82 ALA CB C 82 18.588 18.588 18.251 0.337 19479 779 1 2 . 1 1 82 82 ALA H H 82 8.420 8.420 8.319 0.101 19479 780 1 2 . 1 1 83 83 THR N N 83 109.020 109.020 111.914 -2.894 19479 781 1 2 . 1 1 83 83 THR HA H 83 4.081 4.081 3.827 0.254 19479 782 1 2 . 1 1 83 83 THR CA C 83 64.388 64.388 64.660 -0.272 19479 783 1 2 . 1 1 83 83 THR CB C 83 69.529 69.529 68.904 0.625 19479 784 1 2 . 1 1 83 83 THR H H 83 7.558 7.558 7.866 -0.308 19479 785 1 2 . 1 1 84 84 ARG N N 84 119.856 119.856 119.198 0.658 19479 786 1 2 . 1 1 84 84 ARG HA H 84 4.199 4.199 4.085 0.114 19479 787 1 2 . 1 1 84 84 ARG CA C 84 56.279 56.279 58.169 -1.890 19479 788 1 2 . 1 1 84 84 ARG CB C 84 30.866 30.866 30.098 0.768 19479 789 1 2 . 1 1 84 84 ARG H H 84 7.368 7.368 7.166 0.202 19479 790 1 2 . 1 1 85 85 SER N N 85 114.607 114.607 112.464 2.143 19479 791 1 2 . 1 1 85 85 SER HA H 85 4.301 4.301 4.408 -0.107 19479 792 1 2 . 1 1 85 85 SER CA C 85 58.927 58.927 58.478 0.449 19479 793 1 2 . 1 1 85 85 SER CB C 85 63.778 63.778 63.078 0.700 19479 794 1 2 . 1 1 85 85 SER H H 85 7.783 7.783 7.579 0.204 19479 795 1 2 . 1 1 86 86 HIS HA H 86 4.608 4.608 4.726 -0.118 19479 796 1 2 . 1 1 86 86 HIS CA C 86 56.102 56.102 53.849 2.253 19479 797 1 2 . 1 1 86 86 HIS CB C 86 30.233 30.233 29.586 0.647 19479 798 1 2 . 1 1 87 87 HIS N N 87 125.453 125.453 125.385 0.068 19479 799 1 2 . 1 1 87 87 HIS HA H 87 4.421 4.421 4.419 0.002 19479 800 1 2 . 1 1 87 87 HIS CA C 87 57.381 57.381 56.812 0.569 19479 801 1 2 . 1 1 87 87 HIS CB C 87 30.430 30.430 28.853 1.577 19479 802 1 2 . 1 1 87 87 HIS H H 87 8.102 8.102 8.821 -0.719 19479 803 1 3 . 1 1 3 3 VAL HA H 3 4.160 4.160 4.264 -0.104 19479 804 1 3 . 1 1 3 3 VAL CA C 3 63.130 63.130 62.500 0.630 19479 805 1 3 . 1 1 3 3 VAL CB C 3 32.605 32.605 32.169 0.436 19479 806 1 3 . 1 1 4 4 THR N N 4 117.074 117.074 112.224 4.850 19479 807 1 3 . 1 1 4 4 THR HA H 4 4.454 4.454 4.556 -0.102 19479 808 1 3 . 1 1 4 4 THR CA C 4 61.454 61.454 61.506 -0.052 19479 809 1 3 . 1 1 4 4 THR CB C 4 70.203 70.203 69.405 0.798 19479 810 1 3 . 1 1 4 4 THR H H 4 8.269 8.269 8.110 0.159 19479 811 1 3 . 1 1 5 5 GLU N N 5 122.628 122.628 122.589 0.039 19479 812 1 3 . 1 1 5 5 GLU HA H 5 4.305 4.305 4.312 -0.007 19479 813 1 3 . 1 1 5 5 GLU CA C 5 56.689 56.689 56.871 -0.182 19479 814 1 3 . 1 1 5 5 GLU CB C 5 30.297 30.297 30.097 0.200 19479 815 1 3 . 1 1 5 5 GLU H H 5 8.465 8.465 8.636 -0.171 19479 816 1 3 . 1 1 6 6 ALA N N 6 124.915 124.915 122.634 2.281 19479 817 1 3 . 1 1 6 6 ALA HA H 6 4.301 4.301 4.289 0.012 19479 818 1 3 . 1 1 6 6 ALA CA C 6 52.392 52.392 51.821 0.571 19479 819 1 3 . 1 1 6 6 ALA CB C 6 19.520 19.520 19.775 -0.255 19479 820 1 3 . 1 1 6 6 ALA H H 6 8.333 8.333 7.775 0.558 19479 821 1 3 . 1 1 7 7 GLN N N 7 120.476 120.476 119.663 0.813 19479 822 1 3 . 1 1 7 7 GLN HA H 7 4.275 4.275 4.422 -0.147 19479 823 1 3 . 1 1 7 7 GLN CA C 7 55.512 55.512 54.898 0.614 19479 824 1 3 . 1 1 7 7 GLN CB C 7 29.495 29.495 29.716 -0.221 19479 825 1 3 . 1 1 7 7 GLN H H 7 8.340 8.340 8.384 -0.044 19479 826 1 3 . 1 1 8 8 TYR N N 8 124.499 124.499 120.353 4.146 19479 827 1 3 . 1 1 8 8 TYR HA H 8 4.386 4.386 4.374 0.012 19479 828 1 3 . 1 1 8 8 TYR CA C 8 60.233 60.233 59.292 0.941 19479 829 1 3 . 1 1 8 8 TYR CB C 8 38.173 38.173 38.871 -0.698 19479 830 1 3 . 1 1 8 8 TYR H H 8 8.506 8.506 8.279 0.227 19479 831 1 3 . 1 1 9 9 VAL N N 9 130.011 130.011 128.089 1.922 19479 832 1 3 . 1 1 9 9 VAL HA H 9 3.748 3.748 3.862 -0.114 19479 833 1 3 . 1 1 9 9 VAL CA C 9 61.317 61.317 60.985 0.332 19479 834 1 3 . 1 1 9 9 VAL CB C 9 34.738 34.738 34.260 0.478 19479 835 1 3 . 1 1 9 9 VAL H H 9 6.756 6.756 8.099 -1.343 19479 836 1 3 . 1 1 10 10 ALA N N 10 130.264 130.264 129.429 0.835 19479 837 1 3 . 1 1 10 10 ALA HA H 10 4.172 4.172 4.132 0.040 19479 838 1 3 . 1 1 10 10 ALA CA C 10 50.602 50.602 50.255 0.347 19479 839 1 3 . 1 1 10 10 ALA CB C 10 17.676 17.676 18.390 -0.714 19479 840 1 3 . 1 1 10 10 ALA H H 10 8.125 8.125 7.906 0.219 19479 841 1 3 . 1 1 11 11 PRO HA H 11 4.186 4.186 4.377 -0.191 19479 842 1 3 . 1 1 11 11 PRO CA C 11 63.808 63.808 63.172 0.636 19479 843 1 3 . 1 1 11 11 PRO CB C 11 32.674 32.674 32.495 0.179 19479 844 1 3 . 1 1 12 12 THR N N 12 113.591 113.591 114.665 -1.074 19479 845 1 3 . 1 1 12 12 THR HA H 12 4.469 4.469 4.358 0.111 19479 846 1 3 . 1 1 12 12 THR CA C 12 61.950 61.950 61.670 0.280 19479 847 1 3 . 1 1 12 12 THR CB C 12 71.622 71.622 69.398 2.224 19479 848 1 3 . 1 1 12 12 THR H H 12 9.701 9.701 8.230 1.471 19479 849 1 3 . 1 1 13 13 ASN N N 13 116.088 116.088 118.136 -2.048 19479 850 1 3 . 1 1 13 13 ASN HA H 13 4.771 4.771 4.852 -0.081 19479 851 1 3 . 1 1 13 13 ASN CA C 13 51.947 51.947 51.673 0.274 19479 852 1 3 . 1 1 13 13 ASN CB C 13 39.736 39.736 40.391 -0.655 19479 853 1 3 . 1 1 13 13 ASN H H 13 7.423 7.423 7.696 -0.273 19479 854 1 3 . 1 1 14 14 ALA HA H 14 4.136 4.136 4.056 0.080 19479 855 1 3 . 1 1 14 14 ALA CA C 14 55.484 55.484 54.998 0.486 19479 856 1 3 . 1 1 14 14 ALA CB C 14 19.020 19.020 18.379 0.641 19479 857 1 3 . 1 1 15 15 VAL N N 15 120.332 120.332 119.515 0.817 19479 858 1 3 . 1 1 15 15 VAL HA H 15 4.191 4.191 3.815 0.376 19479 859 1 3 . 1 1 15 15 VAL CA C 15 65.158 65.158 66.060 -0.902 19479 860 1 3 . 1 1 15 15 VAL CB C 15 31.513 31.513 31.125 0.389 19479 861 1 3 . 1 1 15 15 VAL H H 15 7.938 7.938 8.178 -0.240 19479 862 1 3 . 1 1 16 16 GLU N N 16 118.751 118.751 119.085 -0.334 19479 863 1 3 . 1 1 16 16 GLU HA H 16 3.550 3.550 3.909 -0.359 19479 864 1 3 . 1 1 16 16 GLU CA C 16 59.495 59.495 59.888 -0.393 19479 865 1 3 . 1 1 16 16 GLU CB C 16 30.851 30.851 28.923 1.928 19479 866 1 3 . 1 1 16 16 GLU H H 16 8.470 8.470 8.557 -0.087 19479 867 1 3 . 1 1 17 17 SER N N 17 112.637 112.637 115.636 -2.999 19479 868 1 3 . 1 1 17 17 SER HA H 17 3.968 3.968 4.068 -0.100 19479 869 1 3 . 1 1 17 17 SER CA C 17 62.523 62.523 61.727 0.795 19479 870 1 3 . 1 1 17 17 SER CB C 17 62.669 62.669 62.983 -0.314 19479 871 1 3 . 1 1 17 17 SER H H 17 8.386 8.386 8.350 0.036 19479 872 1 3 . 1 1 18 18 LYS N N 18 124.394 124.394 121.437 2.957 19479 873 1 3 . 1 1 18 18 LYS HA H 18 4.287 4.287 4.011 0.276 19479 874 1 3 . 1 1 18 18 LYS CA C 18 57.421 57.421 59.426 -2.005 19479 875 1 3 . 1 1 18 18 LYS CB C 18 30.018 30.018 32.449 -2.431 19479 876 1 3 . 1 1 18 18 LYS H H 18 8.104 8.104 7.904 0.200 19479 877 1 3 . 1 1 19 19 LEU N N 19 118.589 118.589 119.288 -0.699 19479 878 1 3 . 1 1 19 19 LEU HA H 19 4.027 4.027 4.125 -0.098 19479 879 1 3 . 1 1 19 19 LEU CA C 19 58.178 58.178 58.307 -0.129 19479 880 1 3 . 1 1 19 19 LEU CB C 19 42.135 42.135 41.560 0.575 19479 881 1 3 . 1 1 19 19 LEU H H 19 8.742 8.742 7.988 0.754 19479 882 1 3 . 1 1 20 20 ALA N N 20 121.037 121.037 121.130 -0.093 19479 883 1 3 . 1 1 20 20 ALA HA H 20 3.775 3.775 3.578 0.197 19479 884 1 3 . 1 1 20 20 ALA CA C 20 56.194 56.194 55.050 1.144 19479 885 1 3 . 1 1 20 20 ALA CB C 20 16.862 16.862 17.952 -1.090 19479 886 1 3 . 1 1 20 20 ALA H H 20 8.199 8.199 8.058 0.141 19479 887 1 3 . 1 1 21 21 GLU N N 21 118.948 118.948 117.947 1.001 19479 888 1 3 . 1 1 21 21 GLU HA H 21 4.129 4.129 4.083 0.046 19479 889 1 3 . 1 1 21 21 GLU CA C 21 59.788 59.788 59.369 0.419 19479 890 1 3 . 1 1 21 21 GLU CB C 21 29.887 29.887 29.686 0.201 19479 891 1 3 . 1 1 21 21 GLU H H 21 7.716 7.716 7.593 0.123 19479 892 1 3 . 1 1 22 22 ILE N N 22 120.355 120.355 119.844 0.511 19479 893 1 3 . 1 1 22 22 ILE HA H 22 3.780 3.780 3.898 -0.118 19479 894 1 3 . 1 1 22 22 ILE CA C 22 65.850 65.850 63.897 1.953 19479 895 1 3 . 1 1 22 22 ILE CB C 22 38.677 38.677 36.758 1.919 19479 896 1 3 . 1 1 22 22 ILE H H 22 8.409 8.409 7.539 0.870 19479 897 1 3 . 1 1 23 23 TRP N N 23 120.272 120.272 120.137 0.135 19479 898 1 3 . 1 1 23 23 TRP HA H 23 4.191 4.191 4.418 -0.227 19479 899 1 3 . 1 1 23 23 TRP CA C 23 61.819 61.819 60.898 0.921 19479 900 1 3 . 1 1 23 23 TRP CB C 23 29.177 29.177 28.394 0.783 19479 901 1 3 . 1 1 23 23 TRP H H 23 9.551 9.551 8.203 1.348 19479 902 1 3 . 1 1 24 24 GLU N N 24 119.281 119.281 120.009 -0.728 19479 903 1 3 . 1 1 24 24 GLU HA H 24 4.210 4.210 4.186 0.024 19479 904 1 3 . 1 1 24 24 GLU CA C 24 60.695 60.695 59.565 1.130 19479 905 1 3 . 1 1 24 24 GLU CB C 24 29.397 29.397 29.417 -0.020 19479 906 1 3 . 1 1 24 24 GLU H H 24 9.039 9.039 8.103 0.936 19479 907 1 3 . 1 1 25 25 ARG N N 25 119.408 119.408 118.770 0.638 19479 908 1 3 . 1 1 25 25 ARG HA H 25 4.205 4.205 4.182 0.023 19479 909 1 3 . 1 1 25 25 ARG CA C 25 59.015 59.015 58.542 0.473 19479 910 1 3 . 1 1 25 25 ARG CB C 25 30.246 30.246 30.211 0.035 19479 911 1 3 . 1 1 25 25 ARG H H 25 8.060 8.060 8.177 -0.117 19479 912 1 3 . 1 1 26 26 VAL N N 26 119.220 119.220 118.821 0.399 19479 913 1 3 . 1 1 26 26 VAL HA H 26 3.782 3.782 3.958 -0.176 19479 914 1 3 . 1 1 26 26 VAL CA C 26 65.845 65.845 64.837 1.008 19479 915 1 3 . 1 1 26 26 VAL CB C 26 32.717 32.717 31.995 0.721 19479 916 1 3 . 1 1 26 26 VAL H H 26 8.475 8.475 7.928 0.547 19479 917 1 3 . 1 1 27 27 LEU N N 27 116.095 116.095 116.614 -0.519 19479 918 1 3 . 1 1 27 27 LEU HA H 27 4.018 4.018 4.070 -0.052 19479 919 1 3 . 1 1 27 27 LEU CA C 27 55.757 55.757 55.867 -0.110 19479 920 1 3 . 1 1 27 27 LEU CB C 27 42.504 42.504 42.117 0.387 19479 921 1 3 . 1 1 27 27 LEU H H 27 9.005 9.005 8.438 0.567 19479 922 1 3 . 1 1 28 28 GLY N N 28 108.722 108.722 106.654 2.068 19479 923 1 3 . 1 1 28 28 GLY CA C 28 46.721 46.721 45.290 1.431 19479 924 1 3 . 1 1 28 28 GLY H H 28 8.056 8.056 7.795 0.261 19479 925 1 3 . 1 1 29 29 VAL N N 29 115.103 115.103 113.607 1.496 19479 926 1 3 . 1 1 29 29 VAL HA H 29 4.457 4.457 4.781 -0.324 19479 927 1 3 . 1 1 29 29 VAL CA C 29 59.845 59.845 59.075 0.770 19479 928 1 3 . 1 1 29 29 VAL CB C 29 35.477 35.477 34.626 0.852 19479 929 1 3 . 1 1 29 29 VAL H H 29 7.044 7.044 7.496 -0.452 19479 930 1 3 . 1 1 30 30 SER N N 30 115.417 115.417 114.906 0.511 19479 931 1 3 . 1 1 30 30 SER HA H 30 4.683 4.683 4.780 -0.097 19479 932 1 3 . 1 1 30 30 SER CA C 30 56.970 56.970 57.633 -0.663 19479 933 1 3 . 1 1 30 30 SER CB C 30 65.294 65.294 64.120 1.174 19479 934 1 3 . 1 1 30 30 SER H H 30 8.151 8.151 8.347 -0.196 19479 935 1 3 . 1 1 31 31 GLY N N 31 112.008 112.008 116.118 -4.110 19479 936 1 3 . 1 1 31 31 GLY CA C 31 46.545 46.545 44.825 1.720 19479 937 1 3 . 1 1 31 31 GLY H H 31 8.573 8.573 9.173 -0.600 19479 938 1 3 . 1 1 32 32 ILE N N 32 121.204 121.204 121.222 -0.018 19479 939 1 3 . 1 1 32 32 ILE HA H 32 3.898 3.898 4.344 -0.446 19479 940 1 3 . 1 1 32 32 ILE CA C 32 63.126 63.126 59.510 3.616 19479 941 1 3 . 1 1 32 32 ILE CB C 32 38.993 38.993 37.512 1.481 19479 942 1 3 . 1 1 32 32 ILE H H 32 8.241 8.241 7.684 0.557 19479 943 1 3 . 1 1 33 33 GLY N N 33 115.038 115.038 113.979 1.059 19479 944 1 3 . 1 1 33 33 GLY CA C 33 44.330 44.330 43.398 0.932 19479 945 1 3 . 1 1 33 33 GLY H H 33 8.760 8.760 8.208 0.552 19479 946 1 3 . 1 1 34 34 ILE N N 34 110.067 110.067 119.012 -8.945 19479 947 1 3 . 1 1 34 34 ILE HA H 34 4.017 4.017 3.832 0.185 19479 948 1 3 . 1 1 34 34 ILE CA C 34 64.500 64.500 64.144 0.356 19479 949 1 3 . 1 1 34 34 ILE CB C 34 37.731 37.731 37.885 -0.154 19479 950 1 3 . 1 1 34 34 ILE H H 34 8.566 8.566 8.332 0.234 19479 951 1 3 . 1 1 35 35 LEU N N 35 117.052 117.052 112.050 5.002 19479 952 1 3 . 1 1 35 35 LEU HA H 35 4.692 4.692 4.600 0.092 19479 953 1 3 . 1 1 35 35 LEU CA C 35 53.247 53.247 53.447 -0.200 19479 954 1 3 . 1 1 35 35 LEU CB C 35 42.094 42.094 41.156 0.938 19479 955 1 3 . 1 1 35 35 LEU H H 35 8.191 8.191 7.707 0.484 19479 956 1 3 . 1 1 36 36 ASP N N 36 121.535 121.535 122.362 -0.827 19479 957 1 3 . 1 1 36 36 ASP HA H 36 4.387 4.387 4.603 -0.216 19479 958 1 3 . 1 1 36 36 ASP CA C 36 55.244 55.244 54.250 0.994 19479 959 1 3 . 1 1 36 36 ASP CB C 36 41.170 41.170 42.341 -1.171 19479 960 1 3 . 1 1 36 36 ASP H H 36 7.098 7.098 7.736 -0.638 19479 961 1 3 . 1 1 37 37 ASN N N 37 123.266 123.266 124.462 -1.196 19479 962 1 3 . 1 1 37 37 ASN HA H 37 4.954 4.954 5.130 -0.176 19479 963 1 3 . 1 1 37 37 ASN CA C 37 53.319 53.319 53.753 -0.434 19479 964 1 3 . 1 1 37 37 ASN CB C 37 39.610 39.610 38.974 0.636 19479 965 1 3 . 1 1 37 37 ASN H H 37 9.116 9.116 8.619 0.497 19479 966 1 3 . 1 1 38 38 PHE N N 38 126.469 126.469 126.590 -0.121 19479 967 1 3 . 1 1 38 38 PHE HA H 38 3.393 3.393 3.817 -0.424 19479 968 1 3 . 1 1 38 38 PHE CA C 38 61.965 61.965 62.376 -0.411 19479 969 1 3 . 1 1 38 38 PHE CB C 38 40.851 40.851 38.762 2.089 19479 970 1 3 . 1 1 38 38 PHE H H 38 9.344 9.344 8.644 0.700 19479 971 1 3 . 1 1 39 39 PHE N N 39 112.189 112.189 114.169 -1.980 19479 972 1 3 . 1 1 39 39 PHE HA H 39 3.933 3.933 4.366 -0.433 19479 973 1 3 . 1 1 39 39 PHE CA C 39 59.682 59.682 60.097 -0.415 19479 974 1 3 . 1 1 39 39 PHE CB C 39 38.040 38.040 38.345 -0.305 19479 975 1 3 . 1 1 39 39 PHE H H 39 8.052 8.052 8.014 0.038 19479 976 1 3 . 1 1 40 40 GLN N N 40 119.928 119.928 120.487 -0.559 19479 977 1 3 . 1 1 40 40 GLN HA H 40 4.392 4.392 4.192 0.200 19479 978 1 3 . 1 1 40 40 GLN CA C 40 57.191 57.191 57.951 -0.760 19479 979 1 3 . 1 1 40 40 GLN CB C 40 29.466 29.466 28.331 1.135 19479 980 1 3 . 1 1 40 40 GLN H H 40 8.297 8.297 7.955 0.342 19479 981 1 3 . 1 1 41 41 ILE N N 41 110.997 110.997 118.521 -7.524 19479 982 1 3 . 1 1 41 41 ILE HA H 41 4.493 4.493 3.872 0.621 19479 983 1 3 . 1 1 41 41 ILE CA C 41 61.348 61.348 61.407 -0.060 19479 984 1 3 . 1 1 41 41 ILE CB C 41 37.882 37.882 36.070 1.812 19479 985 1 3 . 1 1 41 41 ILE H H 41 7.133 7.133 7.521 -0.388 19479 986 1 3 . 1 1 42 42 GLY N N 42 106.355 106.355 107.448 -1.093 19479 987 1 3 . 1 1 42 42 GLY CA C 42 44.679 44.679 45.190 -0.510 19479 988 1 3 . 1 1 42 42 GLY H H 42 7.433 7.433 7.690 -0.257 19479 989 1 3 . 1 1 43 43 GLY N N 43 107.808 107.808 108.424 -0.616 19479 990 1 3 . 1 1 43 43 GLY CA C 43 45.389 45.389 43.929 1.460 19479 991 1 3 . 1 1 43 43 GLY H H 43 7.826 7.826 7.294 0.532 19479 992 1 3 . 1 1 44 44 HIS N N 44 112.337 112.337 118.024 -5.687 19479 993 1 3 . 1 1 44 44 HIS HA H 44 4.979 4.979 4.975 0.004 19479 994 1 3 . 1 1 44 44 HIS CA C 44 54.773 54.773 54.551 0.222 19479 995 1 3 . 1 1 44 44 HIS CB C 44 31.867 31.867 31.393 0.474 19479 996 1 3 . 1 1 44 44 HIS H H 44 6.369 6.369 7.419 -1.050 19479 997 1 3 . 1 1 45 45 ALA HA H 45 4.264 4.264 4.200 0.064 19479 998 1 3 . 1 1 45 45 ALA CA C 45 57.581 57.581 55.614 1.967 19479 999 1 3 . 1 1 45 45 ALA CB C 45 18.718 18.718 18.340 0.378 19479 1000 1 3 . 1 1 46 46 LEU N N 46 117.791 117.791 118.753 -0.962 19479 1001 1 3 . 1 1 46 46 LEU HA H 46 4.420 4.420 4.064 0.356 19479 1002 1 3 . 1 1 46 46 LEU CA C 46 58.559 58.559 58.403 0.156 19479 1003 1 3 . 1 1 46 46 LEU CB C 46 41.652 41.652 42.026 -0.374 19479 1004 1 3 . 1 1 46 46 LEU H H 46 8.807 8.807 8.449 0.358 19479 1005 1 3 . 1 1 47 47 LYS N N 47 118.822 118.822 118.128 0.694 19479 1006 1 3 . 1 1 47 47 LYS HA H 47 4.200 4.200 3.856 0.344 19479 1007 1 3 . 1 1 47 47 LYS CA C 47 58.352 58.352 58.694 -0.342 19479 1008 1 3 . 1 1 47 47 LYS CB C 47 32.994 32.994 31.394 1.600 19479 1009 1 3 . 1 1 47 47 LYS H H 47 7.589 7.589 7.281 0.308 19479 1010 1 3 . 1 1 48 48 ALA N N 48 122.769 122.769 122.285 0.484 19479 1011 1 3 . 1 1 48 48 ALA HA H 48 3.575 3.575 3.401 0.174 19479 1012 1 3 . 1 1 48 48 ALA CA C 48 55.102 55.102 54.791 0.311 19479 1013 1 3 . 1 1 48 48 ALA CB C 48 18.239 18.239 17.879 0.360 19479 1014 1 3 . 1 1 48 48 ALA H H 48 8.736 8.736 8.106 0.630 19479 1015 1 3 . 1 1 49 49 MET N N 49 116.936 116.936 117.418 -0.482 19479 1016 1 3 . 1 1 49 49 MET HA H 49 4.169 4.169 3.958 0.211 19479 1017 1 3 . 1 1 49 49 MET CA C 49 58.869 58.869 59.476 -0.607 19479 1018 1 3 . 1 1 49 49 MET CB C 49 32.511 32.511 32.570 -0.059 19479 1019 1 3 . 1 1 49 49 MET H H 49 8.000 8.000 8.218 -0.218 19479 1020 1 3 . 1 1 50 50 ALA N N 50 123.686 123.686 120.413 3.273 19479 1021 1 3 . 1 1 50 50 ALA HA H 50 4.401 4.401 4.155 0.246 19479 1022 1 3 . 1 1 50 50 ALA CA C 50 55.265 55.265 55.119 0.146 19479 1023 1 3 . 1 1 50 50 ALA CB C 50 18.320 18.320 18.150 0.170 19479 1024 1 3 . 1 1 50 50 ALA H H 50 7.389 7.389 8.040 -0.651 19479 1025 1 3 . 1 1 51 51 VAL N N 51 118.885 118.885 119.261 -0.376 19479 1026 1 3 . 1 1 51 51 VAL HA H 51 3.437 3.437 3.682 -0.245 19479 1027 1 3 . 1 1 51 51 VAL CA C 51 66.975 66.975 64.932 2.043 19479 1028 1 3 . 1 1 51 51 VAL CB C 51 31.268 31.268 30.886 0.382 19479 1029 1 3 . 1 1 51 51 VAL H H 51 7.981 7.981 7.301 0.680 19479 1030 1 3 . 1 1 52 52 ALA N N 52 121.555 121.555 122.429 -0.874 19479 1031 1 3 . 1 1 52 52 ALA HA H 52 3.990 3.990 3.878 0.112 19479 1032 1 3 . 1 1 52 52 ALA CA C 52 56.056 56.056 55.105 0.951 19479 1033 1 3 . 1 1 52 52 ALA CB C 52 18.099 18.099 18.013 0.086 19479 1034 1 3 . 1 1 52 52 ALA H H 52 8.499 8.499 8.030 0.469 19479 1035 1 3 . 1 1 53 53 ALA N N 53 121.958 121.958 121.252 0.706 19479 1036 1 3 . 1 1 53 53 ALA HA H 53 4.346 4.346 4.061 0.285 19479 1037 1 3 . 1 1 53 53 ALA CA C 53 55.454 55.454 55.278 0.176 19479 1038 1 3 . 1 1 53 53 ALA CB C 53 18.079 18.079 18.004 0.075 19479 1039 1 3 . 1 1 53 53 ALA H H 53 8.238 8.238 7.771 0.467 19479 1040 1 3 . 1 1 54 54 GLN N N 54 118.520 118.520 117.949 0.571 19479 1041 1 3 . 1 1 54 54 GLN HA H 54 4.157 4.157 4.146 0.011 19479 1042 1 3 . 1 1 54 54 GLN CA C 54 59.303 59.303 58.846 0.457 19479 1043 1 3 . 1 1 54 54 GLN CB C 54 28.684 28.684 28.213 0.471 19479 1044 1 3 . 1 1 54 54 GLN H H 54 7.914 7.914 7.934 -0.020 19479 1045 1 3 . 1 1 55 55 VAL N N 55 121.643 121.643 120.856 0.787 19479 1046 1 3 . 1 1 55 55 VAL HA H 55 3.673 3.673 4.020 -0.347 19479 1047 1 3 . 1 1 55 55 VAL CA C 55 67.521 67.521 66.865 0.656 19479 1048 1 3 . 1 1 55 55 VAL CB C 55 31.569 31.569 31.220 0.349 19479 1049 1 3 . 1 1 55 55 VAL H H 55 8.915 8.915 8.738 0.177 19479 1050 1 3 . 1 1 56 56 HIS N N 56 120.993 120.993 119.766 1.227 19479 1051 1 3 . 1 1 56 56 HIS HA H 56 4.314 4.314 4.745 -0.431 19479 1052 1 3 . 1 1 56 56 HIS CA C 56 60.994 60.994 59.118 1.876 19479 1053 1 3 . 1 1 56 56 HIS CB C 56 30.226 30.226 29.913 0.313 19479 1054 1 3 . 1 1 56 56 HIS H H 56 8.328 8.328 8.401 -0.073 19479 1055 1 3 . 1 1 57 57 ARG N N 57 119.241 119.241 117.639 1.602 19479 1056 1 3 . 1 1 57 57 ARG HA H 57 3.963 3.963 4.208 -0.245 19479 1057 1 3 . 1 1 57 57 ARG CA C 57 59.269 59.269 58.590 0.679 19479 1058 1 3 . 1 1 57 57 ARG CB C 57 30.220 30.220 29.984 0.236 19479 1059 1 3 . 1 1 57 57 ARG H H 57 7.849 7.849 7.891 -0.042 19479 1060 1 3 . 1 1 58 58 GLU N N 58 116.079 116.079 118.925 -2.846 19479 1061 1 3 . 1 1 58 58 GLU HA H 58 3.944 3.944 4.199 -0.255 19479 1062 1 3 . 1 1 58 58 GLU CA C 58 58.351 58.351 58.111 0.240 19479 1063 1 3 . 1 1 58 58 GLU CB C 58 30.571 30.571 30.268 0.303 19479 1064 1 3 . 1 1 58 58 GLU H H 58 7.874 7.874 8.160 -0.286 19479 1065 1 3 . 1 1 59 59 TYR N N 59 112.274 112.274 116.843 -4.569 19479 1066 1 3 . 1 1 59 59 TYR HA H 59 4.686 4.686 4.632 0.054 19479 1067 1 3 . 1 1 59 59 TYR CA C 59 58.616 58.616 57.950 0.666 19479 1068 1 3 . 1 1 59 59 TYR CB C 59 40.589 40.589 38.570 2.019 19479 1069 1 3 . 1 1 59 59 TYR H H 59 8.303 8.303 8.228 0.075 19479 1070 1 3 . 1 1 60 60 GLN N N 60 115.629 115.629 115.270 0.359 19479 1071 1 3 . 1 1 60 60 GLN HA H 60 3.481 3.481 4.291 -0.810 19479 1072 1 3 . 1 1 60 60 GLN CA C 60 57.418 57.418 56.724 0.694 19479 1073 1 3 . 1 1 60 60 GLN CB C 60 25.628 25.628 27.049 -1.421 19479 1074 1 3 . 1 1 60 60 GLN H H 60 8.382 8.382 7.875 0.507 19479 1075 1 3 . 1 1 61 61 VAL N N 61 114.547 114.547 116.802 -2.255 19479 1076 1 3 . 1 1 61 61 VAL HA H 61 4.347 4.347 4.314 0.033 19479 1077 1 3 . 1 1 61 61 VAL CA C 61 60.118 60.118 60.028 0.090 19479 1078 1 3 . 1 1 61 61 VAL CB C 61 35.547 35.547 35.560 -0.013 19479 1079 1 3 . 1 1 61 61 VAL H H 61 6.532 6.532 8.008 -1.476 19479 1080 1 3 . 1 1 62 62 GLU N N 62 125.938 125.938 128.170 -2.232 19479 1081 1 3 . 1 1 62 62 GLU HA H 62 4.270 4.270 3.304 0.966 19479 1082 1 3 . 1 1 62 62 GLU CA C 62 55.857 55.857 56.790 -0.933 19479 1083 1 3 . 1 1 62 62 GLU CB C 62 30.334 30.334 29.423 0.911 19479 1084 1 3 . 1 1 62 62 GLU H H 62 8.741 8.741 8.360 0.381 19479 1085 1 3 . 1 1 63 63 LEU N N 63 127.837 127.837 129.083 -1.246 19479 1086 1 3 . 1 1 63 63 LEU HA H 63 4.845 4.845 4.799 0.046 19479 1087 1 3 . 1 1 63 63 LEU CA C 63 50.751 50.751 50.647 0.104 19479 1088 1 3 . 1 1 63 63 LEU CB C 63 43.313 43.313 43.084 0.229 19479 1089 1 3 . 1 1 63 63 LEU H H 63 8.939 8.939 8.100 0.839 19479 1090 1 3 . 1 1 64 64 PRO HA H 64 4.446 4.446 4.511 -0.065 19479 1091 1 3 . 1 1 64 64 PRO CA C 64 62.060 62.060 61.965 0.095 19479 1092 1 3 . 1 1 64 64 PRO CB C 64 32.346 32.346 32.716 -0.370 19479 1093 1 3 . 1 1 65 65 LEU N N 65 126.325 126.325 123.980 2.345 19479 1094 1 3 . 1 1 65 65 LEU HA H 65 3.772 3.772 4.053 -0.281 19479 1095 1 3 . 1 1 65 65 LEU CA C 65 58.426 58.426 57.807 0.619 19479 1096 1 3 . 1 1 65 65 LEU CB C 65 40.688 40.688 41.386 -0.698 19479 1097 1 3 . 1 1 65 65 LEU H H 65 8.746 8.746 8.576 0.170 19479 1098 1 3 . 1 1 66 66 LYS N N 66 114.157 114.157 118.371 -4.214 19479 1099 1 3 . 1 1 66 66 LYS HA H 66 3.999 3.999 4.508 -0.509 19479 1100 1 3 . 1 1 66 66 LYS CA C 66 59.383 59.383 59.100 0.283 19479 1101 1 3 . 1 1 66 66 LYS CB C 66 32.166 32.166 31.809 0.357 19479 1102 1 3 . 1 1 66 66 LYS H H 66 8.551 8.551 8.646 -0.095 19479 1103 1 3 . 1 1 67 67 VAL N N 67 119.827 119.827 119.764 0.063 19479 1104 1 3 . 1 1 67 67 VAL HA H 67 3.611 3.611 3.679 -0.068 19479 1105 1 3 . 1 1 67 67 VAL CA C 67 65.655 65.655 65.120 0.535 19479 1106 1 3 . 1 1 67 67 VAL CB C 67 31.425 31.425 31.925 -0.500 19479 1107 1 3 . 1 1 67 67 VAL H H 67 7.190 7.190 7.561 -0.371 19479 1108 1 3 . 1 1 68 68 LEU N N 68 120.867 120.867 122.375 -1.508 19479 1109 1 3 . 1 1 68 68 LEU HA H 68 3.922 3.922 3.879 0.043 19479 1110 1 3 . 1 1 68 68 LEU CA C 68 58.322 58.322 57.690 0.632 19479 1111 1 3 . 1 1 68 68 LEU CB C 68 41.911 41.911 41.260 0.651 19479 1112 1 3 . 1 1 68 68 LEU H H 68 6.936 6.936 7.292 -0.356 19479 1113 1 3 . 1 1 69 69 PHE N N 69 112.682 112.682 117.069 -4.387 19479 1114 1 3 . 1 1 69 69 PHE HA H 69 4.265 4.265 4.740 -0.475 19479 1115 1 3 . 1 1 69 69 PHE CA C 69 60.265 60.265 60.256 0.009 19479 1116 1 3 . 1 1 69 69 PHE CB C 69 38.725 38.725 38.584 0.141 19479 1117 1 3 . 1 1 69 69 PHE H H 69 8.201 8.201 8.575 -0.374 19479 1118 1 3 . 1 1 70 70 ALA N N 70 118.803 118.803 121.035 -2.232 19479 1119 1 3 . 1 1 70 70 ALA HA H 70 4.302 4.302 3.461 0.841 19479 1120 1 3 . 1 1 70 70 ALA CA C 70 54.025 54.025 52.968 1.057 19479 1121 1 3 . 1 1 70 70 ALA CB C 70 19.656 19.656 19.100 0.556 19479 1122 1 3 . 1 1 70 70 ALA H H 70 7.448 7.448 7.018 0.430 19479 1123 1 3 . 1 1 71 71 GLN N N 71 116.280 116.280 115.664 0.616 19479 1124 1 3 . 1 1 71 71 GLN HA H 71 4.848 4.848 4.708 0.140 19479 1125 1 3 . 1 1 71 71 GLN CA C 71 53.120 53.120 52.386 0.734 19479 1126 1 3 . 1 1 71 71 GLN CB C 71 29.026 29.026 29.790 -0.764 19479 1127 1 3 . 1 1 71 71 GLN H H 71 7.561 7.561 7.884 -0.323 19479 1128 1 3 . 1 1 72 72 PRO HA H 72 4.989 4.989 4.668 0.321 19479 1129 1 3 . 1 1 72 72 PRO CA C 72 64.307 64.307 62.981 1.326 19479 1130 1 3 . 1 1 72 72 PRO CB C 72 30.240 30.240 30.221 0.019 19479 1131 1 3 . 1 1 73 73 THR N N 73 109.972 109.972 111.493 -1.521 19479 1132 1 3 . 1 1 73 73 THR HA H 73 5.198 5.198 5.268 -0.070 19479 1133 1 3 . 1 1 73 73 THR CA C 73 59.292 59.292 59.502 -0.209 19479 1134 1 3 . 1 1 73 73 THR CB C 73 72.314 72.314 72.918 -0.604 19479 1135 1 3 . 1 1 73 73 THR H H 73 8.303 8.303 8.057 0.246 19479 1136 1 3 . 1 1 74 74 ILE N N 74 125.105 125.105 123.187 1.918 19479 1137 1 3 . 1 1 74 74 ILE HA H 74 3.061 3.061 3.382 -0.321 19479 1138 1 3 . 1 1 74 74 ILE CA C 74 66.019 66.019 64.125 1.894 19479 1139 1 3 . 1 1 74 74 ILE CB C 74 37.443 37.443 36.815 0.628 19479 1140 1 3 . 1 1 74 74 ILE H H 74 9.908 9.908 8.982 0.926 19479 1141 1 3 . 1 1 75 75 LYS N N 75 119.445 119.445 121.198 -1.753 19479 1142 1 3 . 1 1 75 75 LYS HA H 75 3.797 3.797 4.042 -0.245 19479 1143 1 3 . 1 1 75 75 LYS CA C 75 60.205 60.205 60.049 0.156 19479 1144 1 3 . 1 1 75 75 LYS CB C 75 33.098 33.098 32.083 1.015 19479 1145 1 3 . 1 1 75 75 LYS H H 75 9.024 9.024 7.898 1.126 19479 1146 1 3 . 1 1 76 76 ALA N N 76 119.581 119.581 121.471 -1.890 19479 1147 1 3 . 1 1 76 76 ALA HA H 76 4.216 4.216 4.115 0.101 19479 1148 1 3 . 1 1 76 76 ALA CA C 76 54.809 54.809 54.831 -0.022 19479 1149 1 3 . 1 1 76 76 ALA CB C 76 19.422 19.422 18.162 1.260 19479 1150 1 3 . 1 1 76 76 ALA H H 76 7.621 7.621 8.289 -0.668 19479 1151 1 3 . 1 1 77 77 LEU N N 77 121.833 121.833 118.940 2.893 19479 1152 1 3 . 1 1 77 77 LEU HA H 77 4.097 4.097 3.953 0.144 19479 1153 1 3 . 1 1 77 77 LEU CA C 77 57.612 57.612 57.481 0.131 19479 1154 1 3 . 1 1 77 77 LEU CB C 77 42.192 42.192 41.447 0.745 19479 1155 1 3 . 1 1 77 77 LEU H H 77 8.915 8.915 7.980 0.935 19479 1156 1 3 . 1 1 78 78 ALA N N 78 120.481 120.481 122.293 -1.812 19479 1157 1 3 . 1 1 78 78 ALA HA H 78 3.751 3.751 3.834 -0.083 19479 1158 1 3 . 1 1 78 78 ALA CA C 78 55.117 55.117 55.359 -0.242 19479 1159 1 3 . 1 1 78 78 ALA CB C 78 19.603 19.603 18.091 1.512 19479 1160 1 3 . 1 1 78 78 ALA H H 78 9.393 9.393 8.639 0.754 19479 1161 1 3 . 1 1 79 79 GLN N N 79 117.799 117.799 118.152 -0.353 19479 1162 1 3 . 1 1 79 79 GLN HA H 79 4.069 4.069 3.977 0.092 19479 1163 1 3 . 1 1 79 79 GLN CA C 79 58.790 58.790 58.822 -0.032 19479 1164 1 3 . 1 1 79 79 GLN CB C 79 28.256 28.256 28.869 -0.613 19479 1165 1 3 . 1 1 79 79 GLN H H 79 7.179 7.179 8.237 -1.058 19479 1166 1 3 . 1 1 80 80 TYR N N 80 121.754 121.754 121.409 0.345 19479 1167 1 3 . 1 1 80 80 TYR HA H 80 3.982 3.982 4.088 -0.106 19479 1168 1 3 . 1 1 80 80 TYR CA C 80 61.965 61.965 61.587 0.378 19479 1169 1 3 . 1 1 80 80 TYR CB C 80 38.227 38.227 38.495 -0.268 19479 1170 1 3 . 1 1 80 80 TYR H H 80 7.716 7.716 7.973 -0.257 19479 1171 1 3 . 1 1 81 81 VAL N N 81 117.864 117.864 119.191 -1.327 19479 1172 1 3 . 1 1 81 81 VAL HA H 81 3.264 3.264 3.591 -0.327 19479 1173 1 3 . 1 1 81 81 VAL CA C 81 66.719 66.719 65.739 0.980 19479 1174 1 3 . 1 1 81 81 VAL CB C 81 32.032 32.032 31.296 0.736 19479 1175 1 3 . 1 1 81 81 VAL H H 81 8.536 8.536 8.450 0.086 19479 1176 1 3 . 1 1 82 82 ALA N N 82 121.044 121.044 122.934 -1.890 19479 1177 1 3 . 1 1 82 82 ALA HA H 82 3.931 3.931 3.988 -0.057 19479 1178 1 3 . 1 1 82 82 ALA CA C 82 55.130 55.130 55.523 -0.393 19479 1179 1 3 . 1 1 82 82 ALA CB C 82 18.588 18.588 18.162 0.426 19479 1180 1 3 . 1 1 82 82 ALA H H 82 8.420 8.420 8.354 0.066 19479 1181 1 3 . 1 1 83 83 THR N N 83 109.020 109.020 111.818 -2.798 19479 1182 1 3 . 1 1 83 83 THR HA H 83 4.081 4.081 3.741 0.340 19479 1183 1 3 . 1 1 83 83 THR CA C 83 64.388 64.388 65.018 -0.630 19479 1184 1 3 . 1 1 83 83 THR CB C 83 69.529 69.529 68.655 0.874 19479 1185 1 3 . 1 1 83 83 THR H H 83 7.558 7.558 7.848 -0.290 19479 1186 1 3 . 1 1 84 84 ARG N N 84 119.856 119.856 117.475 2.381 19479 1187 1 3 . 1 1 84 84 ARG HA H 84 4.199 4.199 4.249 -0.050 19479 1188 1 3 . 1 1 84 84 ARG CA C 84 56.279 56.279 57.750 -1.471 19479 1189 1 3 . 1 1 84 84 ARG CB C 84 30.866 30.866 30.745 0.121 19479 1190 1 3 . 1 1 84 84 ARG H H 84 7.368 7.368 7.198 0.170 19479 1191 1 3 . 1 1 85 85 SER N N 85 114.607 114.607 114.015 0.592 19479 1192 1 3 . 1 1 85 85 SER HA H 85 4.301 4.301 4.398 -0.097 19479 1193 1 3 . 1 1 85 85 SER CA C 85 58.927 58.927 60.788 -1.861 19479 1194 1 3 . 1 1 85 85 SER CB C 85 63.778 63.778 64.022 -0.244 19479 1195 1 3 . 1 1 85 85 SER H H 85 7.783 7.783 7.810 -0.027 19479 1196 1 3 . 1 1 86 86 HIS HA H 86 4.608 4.608 4.464 0.144 19479 1197 1 3 . 1 1 86 86 HIS CA C 86 56.102 56.102 55.458 0.644 19479 1198 1 3 . 1 1 86 86 HIS CB C 86 30.233 30.233 30.641 -0.408 19479 1199 1 3 . 1 1 87 87 HIS N N 87 125.453 125.453 120.411 5.042 19479 1200 1 3 . 1 1 87 87 HIS HA H 87 4.421 4.421 4.831 -0.410 19479 1201 1 3 . 1 1 87 87 HIS CA C 87 57.381 57.381 54.646 2.735 19479 1202 1 3 . 1 1 87 87 HIS CB C 87 30.430 30.430 31.949 -1.519 19479 1203 1 3 . 1 1 87 87 HIS H H 87 8.102 8.102 7.832 0.270 19479 1204 1 4 . 1 1 3 3 VAL HA H 3 4.160 4.160 4.460 -0.300 19479 1205 1 4 . 1 1 3 3 VAL CA C 3 63.130 63.130 61.929 1.201 19479 1206 1 4 . 1 1 3 3 VAL CB C 3 32.605 32.605 33.021 -0.416 19479 1207 1 4 . 1 1 4 4 THR N N 4 117.074 117.074 116.314 0.760 19479 1208 1 4 . 1 1 4 4 THR HA H 4 4.454 4.454 4.624 -0.170 19479 1209 1 4 . 1 1 4 4 THR CA C 4 61.454 61.454 61.928 -0.474 19479 1210 1 4 . 1 1 4 4 THR CB C 4 70.203 70.203 70.724 -0.521 19479 1211 1 4 . 1 1 4 4 THR H H 4 8.269 8.269 8.402 -0.133 19479 1212 1 4 . 1 1 5 5 GLU N N 5 122.628 122.628 120.526 2.102 19479 1213 1 4 . 1 1 5 5 GLU HA H 5 4.305 4.305 4.549 -0.244 19479 1214 1 4 . 1 1 5 5 GLU CA C 5 56.689 56.689 55.938 0.751 19479 1215 1 4 . 1 1 5 5 GLU CB C 5 30.297 30.297 30.293 0.004 19479 1216 1 4 . 1 1 5 5 GLU H H 5 8.465 8.465 8.605 -0.140 19479 1217 1 4 . 1 1 6 6 ALA N N 6 124.915 124.915 123.904 1.011 19479 1218 1 4 . 1 1 6 6 ALA HA H 6 4.301 4.301 4.162 0.139 19479 1219 1 4 . 1 1 6 6 ALA CA C 6 52.392 52.392 52.509 -0.117 19479 1220 1 4 . 1 1 6 6 ALA CB C 6 19.520 19.520 19.508 0.012 19479 1221 1 4 . 1 1 6 6 ALA H H 6 8.333 8.333 7.514 0.819 19479 1222 1 4 . 1 1 7 7 GLN N N 7 120.476 120.476 121.950 -1.474 19479 1223 1 4 . 1 1 7 7 GLN HA H 7 4.275 4.275 4.263 0.012 19479 1224 1 4 . 1 1 7 7 GLN CA C 7 55.512 55.512 55.206 0.306 19479 1225 1 4 . 1 1 7 7 GLN CB C 7 29.495 29.495 29.593 -0.097 19479 1226 1 4 . 1 1 7 7 GLN H H 7 8.340 8.340 8.359 -0.019 19479 1227 1 4 . 1 1 8 8 TYR N N 8 124.499 124.499 121.609 2.890 19479 1228 1 4 . 1 1 8 8 TYR HA H 8 4.386 4.386 4.480 -0.094 19479 1229 1 4 . 1 1 8 8 TYR CA C 8 60.233 60.233 58.797 1.436 19479 1230 1 4 . 1 1 8 8 TYR CB C 8 38.173 38.173 38.648 -0.474 19479 1231 1 4 . 1 1 8 8 TYR H H 8 8.506 8.506 8.531 -0.025 19479 1232 1 4 . 1 1 9 9 VAL N N 9 130.011 130.011 128.458 1.553 19479 1233 1 4 . 1 1 9 9 VAL HA H 9 3.748 3.748 3.826 -0.078 19479 1234 1 4 . 1 1 9 9 VAL CA C 9 61.317 61.317 60.507 0.810 19479 1235 1 4 . 1 1 9 9 VAL CB C 9 34.738 34.738 35.337 -0.599 19479 1236 1 4 . 1 1 9 9 VAL H H 9 6.756 6.756 7.812 -1.056 19479 1237 1 4 . 1 1 10 10 ALA N N 10 130.264 130.264 128.365 1.899 19479 1238 1 4 . 1 1 10 10 ALA HA H 10 4.172 4.172 4.537 -0.365 19479 1239 1 4 . 1 1 10 10 ALA CA C 10 50.602 50.602 50.691 -0.089 19479 1240 1 4 . 1 1 10 10 ALA CB C 10 17.676 17.676 18.407 -0.731 19479 1241 1 4 . 1 1 10 10 ALA H H 10 8.125 8.125 7.993 0.132 19479 1242 1 4 . 1 1 11 11 PRO HA H 11 4.186 4.186 4.324 -0.138 19479 1243 1 4 . 1 1 11 11 PRO CA C 11 63.808 63.808 62.695 1.113 19479 1244 1 4 . 1 1 11 11 PRO CB C 11 32.674 32.674 32.093 0.581 19479 1245 1 4 . 1 1 12 12 THR N N 12 113.591 113.591 110.772 2.819 19479 1246 1 4 . 1 1 12 12 THR HA H 12 4.469 4.469 4.292 0.177 19479 1247 1 4 . 1 1 12 12 THR CA C 12 61.950 61.950 62.022 -0.072 19479 1248 1 4 . 1 1 12 12 THR CB C 12 71.622 71.622 69.891 1.731 19479 1249 1 4 . 1 1 12 12 THR H H 12 9.701 9.701 8.252 1.449 19479 1250 1 4 . 1 1 13 13 ASN N N 13 116.088 116.088 119.804 -3.716 19479 1251 1 4 . 1 1 13 13 ASN HA H 13 4.771 4.771 4.841 -0.070 19479 1252 1 4 . 1 1 13 13 ASN CA C 13 51.947 51.947 52.173 -0.226 19479 1253 1 4 . 1 1 13 13 ASN CB C 13 39.736 39.736 40.709 -0.973 19479 1254 1 4 . 1 1 13 13 ASN H H 13 7.423 7.423 7.727 -0.304 19479 1255 1 4 . 1 1 14 14 ALA HA H 14 4.136 4.136 4.084 0.052 19479 1256 1 4 . 1 1 14 14 ALA CA C 14 55.484 55.484 54.834 0.650 19479 1257 1 4 . 1 1 14 14 ALA CB C 14 19.020 19.020 18.737 0.283 19479 1258 1 4 . 1 1 15 15 VAL N N 15 120.332 120.332 117.350 2.982 19479 1259 1 4 . 1 1 15 15 VAL HA H 15 4.191 4.191 3.716 0.475 19479 1260 1 4 . 1 1 15 15 VAL CA C 15 65.158 65.158 66.560 -1.402 19479 1261 1 4 . 1 1 15 15 VAL CB C 15 31.513 31.513 31.165 0.348 19479 1262 1 4 . 1 1 15 15 VAL H H 15 7.938 7.938 8.520 -0.582 19479 1263 1 4 . 1 1 16 16 GLU N N 16 118.751 118.751 118.503 0.248 19479 1264 1 4 . 1 1 16 16 GLU HA H 16 3.550 3.550 3.912 -0.362 19479 1265 1 4 . 1 1 16 16 GLU CA C 16 59.495 59.495 59.557 -0.062 19479 1266 1 4 . 1 1 16 16 GLU CB C 16 30.851 30.851 29.066 1.785 19479 1267 1 4 . 1 1 16 16 GLU H H 16 8.470 8.470 8.581 -0.111 19479 1268 1 4 . 1 1 17 17 SER N N 17 112.637 112.637 115.898 -3.261 19479 1269 1 4 . 1 1 17 17 SER HA H 17 3.968 3.968 4.120 -0.152 19479 1270 1 4 . 1 1 17 17 SER CA C 17 62.523 62.523 61.578 0.945 19479 1271 1 4 . 1 1 17 17 SER CB C 17 62.669 62.669 62.977 -0.308 19479 1272 1 4 . 1 1 17 17 SER H H 17 8.386 8.386 7.969 0.417 19479 1273 1 4 . 1 1 18 18 LYS N N 18 124.394 124.394 121.929 2.465 19479 1274 1 4 . 1 1 18 18 LYS HA H 18 4.287 4.287 4.326 -0.039 19479 1275 1 4 . 1 1 18 18 LYS CA C 18 57.421 57.421 58.787 -1.366 19479 1276 1 4 . 1 1 18 18 LYS CB C 18 30.018 30.018 32.228 -2.210 19479 1277 1 4 . 1 1 18 18 LYS H H 18 8.104 8.104 7.719 0.385 19479 1278 1 4 . 1 1 19 19 LEU N N 19 118.589 118.589 119.359 -0.770 19479 1279 1 4 . 1 1 19 19 LEU HA H 19 4.027 4.027 4.069 -0.042 19479 1280 1 4 . 1 1 19 19 LEU CA C 19 58.178 58.178 58.262 -0.084 19479 1281 1 4 . 1 1 19 19 LEU CB C 19 42.135 42.135 41.462 0.673 19479 1282 1 4 . 1 1 19 19 LEU H H 19 8.742 8.742 7.765 0.977 19479 1283 1 4 . 1 1 20 20 ALA N N 20 121.037 121.037 119.783 1.254 19479 1284 1 4 . 1 1 20 20 ALA HA H 20 3.775 3.775 3.703 0.072 19479 1285 1 4 . 1 1 20 20 ALA CA C 20 56.194 56.194 55.032 1.162 19479 1286 1 4 . 1 1 20 20 ALA CB C 20 16.862 16.862 18.085 -1.223 19479 1287 1 4 . 1 1 20 20 ALA H H 20 8.199 8.199 7.749 0.450 19479 1288 1 4 . 1 1 21 21 GLU N N 21 118.948 118.948 119.090 -0.142 19479 1289 1 4 . 1 1 21 21 GLU HA H 21 4.129 4.129 4.095 0.034 19479 1290 1 4 . 1 1 21 21 GLU CA C 21 59.788 59.788 59.234 0.554 19479 1291 1 4 . 1 1 21 21 GLU CB C 21 29.887 29.887 29.624 0.263 19479 1292 1 4 . 1 1 21 21 GLU H H 21 7.716 7.716 7.537 0.179 19479 1293 1 4 . 1 1 22 22 ILE N N 22 120.355 120.355 119.215 1.140 19479 1294 1 4 . 1 1 22 22 ILE HA H 22 3.780 3.780 3.953 -0.173 19479 1295 1 4 . 1 1 22 22 ILE CA C 22 65.850 65.850 63.351 2.499 19479 1296 1 4 . 1 1 22 22 ILE CB C 22 38.677 38.677 36.827 1.850 19479 1297 1 4 . 1 1 22 22 ILE H H 22 8.409 8.409 7.479 0.930 19479 1298 1 4 . 1 1 23 23 TRP N N 23 120.272 120.272 120.084 0.188 19479 1299 1 4 . 1 1 23 23 TRP HA H 23 4.191 4.191 4.366 -0.175 19479 1300 1 4 . 1 1 23 23 TRP CA C 23 61.819 61.819 60.787 1.032 19479 1301 1 4 . 1 1 23 23 TRP CB C 23 29.177 29.177 28.480 0.697 19479 1302 1 4 . 1 1 23 23 TRP H H 23 9.551 9.551 7.890 1.661 19479 1303 1 4 . 1 1 24 24 GLU N N 24 119.281 119.281 119.976 -0.695 19479 1304 1 4 . 1 1 24 24 GLU HA H 24 4.210 4.210 4.010 0.200 19479 1305 1 4 . 1 1 24 24 GLU CA C 24 60.695 60.695 59.880 0.815 19479 1306 1 4 . 1 1 24 24 GLU CB C 24 29.397 29.397 29.312 0.085 19479 1307 1 4 . 1 1 24 24 GLU H H 24 9.039 9.039 7.970 1.069 19479 1308 1 4 . 1 1 25 25 ARG N N 25 119.408 119.408 117.234 2.174 19479 1309 1 4 . 1 1 25 25 ARG HA H 25 4.205 4.205 4.118 0.087 19479 1310 1 4 . 1 1 25 25 ARG CA C 25 59.015 59.015 58.710 0.305 19479 1311 1 4 . 1 1 25 25 ARG CB C 25 30.246 30.246 30.265 -0.019 19479 1312 1 4 . 1 1 25 25 ARG H H 25 8.060 8.060 7.875 0.185 19479 1313 1 4 . 1 1 26 26 VAL N N 26 119.220 119.220 117.574 1.646 19479 1314 1 4 . 1 1 26 26 VAL HA H 26 3.782 3.782 3.963 -0.181 19479 1315 1 4 . 1 1 26 26 VAL CA C 26 65.845 65.845 64.730 1.115 19479 1316 1 4 . 1 1 26 26 VAL CB C 26 32.717 32.717 32.712 0.005 19479 1317 1 4 . 1 1 26 26 VAL H H 26 8.475 8.475 7.412 1.063 19479 1318 1 4 . 1 1 27 27 LEU N N 27 116.095 116.095 117.643 -1.548 19479 1319 1 4 . 1 1 27 27 LEU HA H 27 4.018 4.018 3.938 0.080 19479 1320 1 4 . 1 1 27 27 LEU CA C 27 55.757 55.757 56.301 -0.544 19479 1321 1 4 . 1 1 27 27 LEU CB C 27 42.504 42.504 42.016 0.488 19479 1322 1 4 . 1 1 27 27 LEU H H 27 9.005 9.005 8.412 0.593 19479 1323 1 4 . 1 1 28 28 GLY N N 28 108.722 108.722 107.754 0.968 19479 1324 1 4 . 1 1 28 28 GLY CA C 28 46.721 46.721 45.833 0.888 19479 1325 1 4 . 1 1 28 28 GLY H H 28 8.056 8.056 8.151 -0.095 19479 1326 1 4 . 1 1 29 29 VAL N N 29 115.103 115.103 114.867 0.236 19479 1327 1 4 . 1 1 29 29 VAL HA H 29 4.457 4.457 4.766 -0.309 19479 1328 1 4 . 1 1 29 29 VAL CA C 29 59.845 59.845 59.111 0.734 19479 1329 1 4 . 1 1 29 29 VAL CB C 29 35.477 35.477 34.764 0.713 19479 1330 1 4 . 1 1 29 29 VAL H H 29 7.044 7.044 7.527 -0.483 19479 1331 1 4 . 1 1 30 30 SER N N 30 115.417 115.417 114.311 1.106 19479 1332 1 4 . 1 1 30 30 SER HA H 30 4.683 4.683 4.804 -0.121 19479 1333 1 4 . 1 1 30 30 SER CA C 30 56.970 56.970 58.259 -1.289 19479 1334 1 4 . 1 1 30 30 SER CB C 30 65.294 65.294 64.164 1.130 19479 1335 1 4 . 1 1 30 30 SER H H 30 8.151 8.151 8.273 -0.122 19479 1336 1 4 . 1 1 31 31 GLY N N 31 112.008 112.008 115.846 -3.838 19479 1337 1 4 . 1 1 31 31 GLY CA C 31 46.545 46.545 44.801 1.744 19479 1338 1 4 . 1 1 31 31 GLY H H 31 8.573 8.573 9.406 -0.833 19479 1339 1 4 . 1 1 32 32 ILE N N 32 121.204 121.204 122.587 -1.383 19479 1340 1 4 . 1 1 32 32 ILE HA H 32 3.898 3.898 4.092 -0.194 19479 1341 1 4 . 1 1 32 32 ILE CA C 32 63.126 63.126 60.854 2.272 19479 1342 1 4 . 1 1 32 32 ILE CB C 32 38.993 38.993 37.195 1.798 19479 1343 1 4 . 1 1 32 32 ILE H H 32 8.241 8.241 8.001 0.240 19479 1344 1 4 . 1 1 33 33 GLY N N 33 115.038 115.038 114.243 0.795 19479 1345 1 4 . 1 1 33 33 GLY CA C 33 44.330 44.330 44.024 0.306 19479 1346 1 4 . 1 1 33 33 GLY H H 33 8.760 8.760 8.153 0.607 19479 1347 1 4 . 1 1 34 34 ILE N N 34 110.067 110.067 116.046 -5.979 19479 1348 1 4 . 1 1 34 34 ILE HA H 34 4.017 4.017 4.115 -0.098 19479 1349 1 4 . 1 1 34 34 ILE CA C 34 64.500 64.500 63.915 0.585 19479 1350 1 4 . 1 1 34 34 ILE CB C 34 37.731 37.731 38.813 -1.082 19479 1351 1 4 . 1 1 34 34 ILE H H 34 8.566 8.566 8.229 0.337 19479 1352 1 4 . 1 1 35 35 LEU N N 35 117.052 117.052 115.595 1.457 19479 1353 1 4 . 1 1 35 35 LEU HA H 35 4.692 4.692 4.544 0.148 19479 1354 1 4 . 1 1 35 35 LEU CA C 35 53.247 53.247 54.246 -0.999 19479 1355 1 4 . 1 1 35 35 LEU CB C 35 42.094 42.094 41.390 0.704 19479 1356 1 4 . 1 1 35 35 LEU H H 35 8.191 8.191 7.948 0.243 19479 1357 1 4 . 1 1 36 36 ASP N N 36 121.535 121.535 119.303 2.232 19479 1358 1 4 . 1 1 36 36 ASP HA H 36 4.387 4.387 4.479 -0.092 19479 1359 1 4 . 1 1 36 36 ASP CA C 36 55.244 55.244 54.057 1.187 19479 1360 1 4 . 1 1 36 36 ASP CB C 36 41.170 41.170 41.308 -0.138 19479 1361 1 4 . 1 1 36 36 ASP H H 36 7.098 7.098 7.925 -0.827 19479 1362 1 4 . 1 1 37 37 ASN N N 37 123.266 123.266 122.973 0.293 19479 1363 1 4 . 1 1 37 37 ASN HA H 37 4.954 4.954 5.039 -0.085 19479 1364 1 4 . 1 1 37 37 ASN CA C 37 53.319 53.319 52.455 0.864 19479 1365 1 4 . 1 1 37 37 ASN CB C 37 39.610 39.610 38.259 1.351 19479 1366 1 4 . 1 1 37 37 ASN H H 37 9.116 9.116 8.507 0.609 19479 1367 1 4 . 1 1 38 38 PHE N N 38 126.469 126.469 127.190 -0.721 19479 1368 1 4 . 1 1 38 38 PHE HA H 38 3.393 3.393 3.822 -0.429 19479 1369 1 4 . 1 1 38 38 PHE CA C 38 61.965 61.965 62.521 -0.556 19479 1370 1 4 . 1 1 38 38 PHE CB C 38 40.851 40.851 38.873 1.978 19479 1371 1 4 . 1 1 38 38 PHE H H 38 9.344 9.344 8.495 0.849 19479 1372 1 4 . 1 1 39 39 PHE N N 39 112.189 112.189 114.358 -2.169 19479 1373 1 4 . 1 1 39 39 PHE HA H 39 3.933 3.933 4.678 -0.745 19479 1374 1 4 . 1 1 39 39 PHE CA C 39 59.682 59.682 60.401 -0.719 19479 1375 1 4 . 1 1 39 39 PHE CB C 39 38.040 38.040 38.452 -0.412 19479 1376 1 4 . 1 1 39 39 PHE H H 39 8.052 8.052 8.260 -0.208 19479 1377 1 4 . 1 1 40 40 GLN N N 40 119.928 119.928 120.559 -0.631 19479 1378 1 4 . 1 1 40 40 GLN HA H 40 4.392 4.392 4.192 0.200 19479 1379 1 4 . 1 1 40 40 GLN CA C 40 57.191 57.191 58.102 -0.911 19479 1380 1 4 . 1 1 40 40 GLN CB C 40 29.466 29.466 28.078 1.388 19479 1381 1 4 . 1 1 40 40 GLN H H 40 8.297 8.297 8.076 0.221 19479 1382 1 4 . 1 1 41 41 ILE N N 41 110.997 110.997 117.306 -6.309 19479 1383 1 4 . 1 1 41 41 ILE HA H 41 4.493 4.493 3.907 0.586 19479 1384 1 4 . 1 1 41 41 ILE CA C 41 61.348 61.348 62.052 -0.704 19479 1385 1 4 . 1 1 41 41 ILE CB C 41 37.882 37.882 38.050 -0.168 19479 1386 1 4 . 1 1 41 41 ILE H H 41 7.133 7.133 7.651 -0.518 19479 1387 1 4 . 1 1 42 42 GLY N N 42 106.355 106.355 106.461 -0.106 19479 1388 1 4 . 1 1 42 42 GLY CA C 42 44.679 44.679 44.668 0.011 19479 1389 1 4 . 1 1 42 42 GLY H H 42 7.433 7.433 7.504 -0.071 19479 1390 1 4 . 1 1 43 43 GLY N N 43 107.808 107.808 108.343 -0.535 19479 1391 1 4 . 1 1 43 43 GLY CA C 43 45.389 45.389 44.240 1.149 19479 1392 1 4 . 1 1 43 43 GLY H H 43 7.826 7.826 7.478 0.348 19479 1393 1 4 . 1 1 44 44 HIS N N 44 112.337 112.337 118.224 -5.887 19479 1394 1 4 . 1 1 44 44 HIS HA H 44 4.979 4.979 5.078 -0.099 19479 1395 1 4 . 1 1 44 44 HIS CA C 44 54.773 54.773 54.691 0.082 19479 1396 1 4 . 1 1 44 44 HIS CB C 44 31.867 31.867 31.105 0.762 19479 1397 1 4 . 1 1 44 44 HIS H H 44 6.369 6.369 7.844 -1.475 19479 1398 1 4 . 1 1 45 45 ALA HA H 45 4.264 4.264 4.149 0.115 19479 1399 1 4 . 1 1 45 45 ALA CA C 45 57.581 57.581 55.578 2.003 19479 1400 1 4 . 1 1 45 45 ALA CB C 45 18.718 18.718 18.315 0.403 19479 1401 1 4 . 1 1 46 46 LEU N N 46 117.791 117.791 118.362 -0.571 19479 1402 1 4 . 1 1 46 46 LEU HA H 46 4.420 4.420 4.067 0.353 19479 1403 1 4 . 1 1 46 46 LEU CA C 46 58.559 58.559 58.370 0.189 19479 1404 1 4 . 1 1 46 46 LEU CB C 46 41.652 41.652 41.986 -0.334 19479 1405 1 4 . 1 1 46 46 LEU H H 46 8.807 8.807 8.382 0.425 19479 1406 1 4 . 1 1 47 47 LYS N N 47 118.822 118.822 118.413 0.409 19479 1407 1 4 . 1 1 47 47 LYS HA H 47 4.200 4.200 3.823 0.377 19479 1408 1 4 . 1 1 47 47 LYS CA C 47 58.352 58.352 58.496 -0.144 19479 1409 1 4 . 1 1 47 47 LYS CB C 47 32.994 32.994 31.297 1.697 19479 1410 1 4 . 1 1 47 47 LYS H H 47 7.589 7.589 7.112 0.477 19479 1411 1 4 . 1 1 48 48 ALA N N 48 122.769 122.769 122.549 0.220 19479 1412 1 4 . 1 1 48 48 ALA HA H 48 3.575 3.575 3.659 -0.084 19479 1413 1 4 . 1 1 48 48 ALA CA C 48 55.102 55.102 55.056 0.046 19479 1414 1 4 . 1 1 48 48 ALA CB C 48 18.239 18.239 18.009 0.231 19479 1415 1 4 . 1 1 48 48 ALA H H 48 8.736 8.736 8.421 0.315 19479 1416 1 4 . 1 1 49 49 MET N N 49 116.936 116.936 116.937 -0.001 19479 1417 1 4 . 1 1 49 49 MET HA H 49 4.169 4.169 4.131 0.038 19479 1418 1 4 . 1 1 49 49 MET CA C 49 58.869 58.869 57.908 0.961 19479 1419 1 4 . 1 1 49 49 MET CB C 49 32.511 32.511 31.903 0.608 19479 1420 1 4 . 1 1 49 49 MET H H 49 8.000 8.000 7.896 0.104 19479 1421 1 4 . 1 1 50 50 ALA N N 50 123.686 123.686 121.684 2.002 19479 1422 1 4 . 1 1 50 50 ALA HA H 50 4.401 4.401 4.112 0.289 19479 1423 1 4 . 1 1 50 50 ALA CA C 50 55.265 55.265 55.098 0.167 19479 1424 1 4 . 1 1 50 50 ALA CB C 50 18.320 18.320 18.055 0.265 19479 1425 1 4 . 1 1 50 50 ALA H H 50 7.389 7.389 8.079 -0.690 19479 1426 1 4 . 1 1 51 51 VAL N N 51 118.885 118.885 119.332 -0.447 19479 1427 1 4 . 1 1 51 51 VAL HA H 51 3.437 3.437 3.681 -0.244 19479 1428 1 4 . 1 1 51 51 VAL CA C 51 66.975 66.975 66.311 0.663 19479 1429 1 4 . 1 1 51 51 VAL CB C 51 31.268 31.268 31.340 -0.072 19479 1430 1 4 . 1 1 51 51 VAL H H 51 7.981 7.981 7.538 0.443 19479 1431 1 4 . 1 1 52 52 ALA N N 52 121.555 121.555 122.479 -0.924 19479 1432 1 4 . 1 1 52 52 ALA HA H 52 3.990 3.990 3.884 0.106 19479 1433 1 4 . 1 1 52 52 ALA CA C 52 56.056 56.056 55.217 0.839 19479 1434 1 4 . 1 1 52 52 ALA CB C 52 18.099 18.099 18.006 0.093 19479 1435 1 4 . 1 1 52 52 ALA H H 52 8.499 8.499 7.763 0.736 19479 1436 1 4 . 1 1 53 53 ALA N N 53 121.958 121.958 120.451 1.507 19479 1437 1 4 . 1 1 53 53 ALA HA H 53 4.346 4.346 4.012 0.334 19479 1438 1 4 . 1 1 53 53 ALA CA C 53 55.454 55.454 55.164 0.290 19479 1439 1 4 . 1 1 53 53 ALA CB C 53 18.079 18.079 18.135 -0.056 19479 1440 1 4 . 1 1 53 53 ALA H H 53 8.238 8.238 8.164 0.074 19479 1441 1 4 . 1 1 54 54 GLN N N 54 118.520 118.520 118.167 0.353 19479 1442 1 4 . 1 1 54 54 GLN HA H 54 4.157 4.157 4.145 0.012 19479 1443 1 4 . 1 1 54 54 GLN CA C 54 59.303 59.303 58.485 0.818 19479 1444 1 4 . 1 1 54 54 GLN CB C 54 28.684 28.684 28.817 -0.133 19479 1445 1 4 . 1 1 54 54 GLN H H 54 7.914 7.914 7.825 0.089 19479 1446 1 4 . 1 1 55 55 VAL N N 55 121.643 121.643 121.493 0.150 19479 1447 1 4 . 1 1 55 55 VAL HA H 55 3.673 3.673 3.952 -0.279 19479 1448 1 4 . 1 1 55 55 VAL CA C 55 67.521 67.521 67.078 0.443 19479 1449 1 4 . 1 1 55 55 VAL CB C 55 31.569 31.569 31.535 0.034 19479 1450 1 4 . 1 1 55 55 VAL H H 55 8.915 8.915 8.456 0.459 19479 1451 1 4 . 1 1 56 56 HIS N N 56 120.993 120.993 119.842 1.151 19479 1452 1 4 . 1 1 56 56 HIS HA H 56 4.314 4.314 4.737 -0.423 19479 1453 1 4 . 1 1 56 56 HIS CA C 56 60.994 60.994 59.202 1.792 19479 1454 1 4 . 1 1 56 56 HIS CB C 56 30.226 30.226 30.021 0.205 19479 1455 1 4 . 1 1 56 56 HIS H H 56 8.328 8.328 8.588 -0.260 19479 1456 1 4 . 1 1 57 57 ARG N N 57 119.241 119.241 117.941 1.300 19479 1457 1 4 . 1 1 57 57 ARG HA H 57 3.963 3.963 4.291 -0.328 19479 1458 1 4 . 1 1 57 57 ARG CA C 57 59.269 59.269 58.605 0.664 19479 1459 1 4 . 1 1 57 57 ARG CB C 57 30.220 30.220 29.937 0.283 19479 1460 1 4 . 1 1 57 57 ARG H H 57 7.849 7.849 7.900 -0.051 19479 1461 1 4 . 1 1 58 58 GLU N N 58 116.079 116.079 118.851 -2.772 19479 1462 1 4 . 1 1 58 58 GLU HA H 58 3.944 3.944 4.213 -0.269 19479 1463 1 4 . 1 1 58 58 GLU CA C 58 58.351 58.351 58.450 -0.099 19479 1464 1 4 . 1 1 58 58 GLU CB C 58 30.571 30.571 30.623 -0.052 19479 1465 1 4 . 1 1 58 58 GLU H H 58 7.874 7.874 8.118 -0.244 19479 1466 1 4 . 1 1 59 59 TYR N N 59 112.274 112.274 116.174 -3.900 19479 1467 1 4 . 1 1 59 59 TYR HA H 59 4.686 4.686 4.510 0.176 19479 1468 1 4 . 1 1 59 59 TYR CA C 59 58.616 58.616 58.288 0.328 19479 1469 1 4 . 1 1 59 59 TYR CB C 59 40.589 40.589 38.326 2.263 19479 1470 1 4 . 1 1 59 59 TYR H H 59 8.303 8.303 8.329 -0.026 19479 1471 1 4 . 1 1 60 60 GLN N N 60 115.629 115.629 114.998 0.631 19479 1472 1 4 . 1 1 60 60 GLN HA H 60 3.481 3.481 4.264 -0.783 19479 1473 1 4 . 1 1 60 60 GLN CA C 60 57.418 57.418 56.593 0.825 19479 1474 1 4 . 1 1 60 60 GLN CB C 60 25.628 25.628 27.179 -1.551 19479 1475 1 4 . 1 1 60 60 GLN H H 60 8.382 8.382 7.810 0.572 19479 1476 1 4 . 1 1 61 61 VAL N N 61 114.547 114.547 117.996 -3.449 19479 1477 1 4 . 1 1 61 61 VAL HA H 61 4.347 4.347 4.065 0.282 19479 1478 1 4 . 1 1 61 61 VAL CA C 61 60.118 60.118 60.075 0.043 19479 1479 1 4 . 1 1 61 61 VAL CB C 61 35.547 35.547 33.878 1.669 19479 1480 1 4 . 1 1 61 61 VAL H H 61 6.532 6.532 7.877 -1.345 19479 1481 1 4 . 1 1 62 62 GLU N N 62 125.938 125.938 128.767 -2.829 19479 1482 1 4 . 1 1 62 62 GLU HA H 62 4.270 4.270 3.715 0.555 19479 1483 1 4 . 1 1 62 62 GLU CA C 62 55.857 55.857 56.291 -0.434 19479 1484 1 4 . 1 1 62 62 GLU CB C 62 30.334 30.334 29.452 0.882 19479 1485 1 4 . 1 1 62 62 GLU H H 62 8.741 8.741 8.451 0.290 19479 1486 1 4 . 1 1 63 63 LEU N N 63 127.837 127.837 129.818 -1.981 19479 1487 1 4 . 1 1 63 63 LEU HA H 63 4.845 4.845 4.754 0.091 19479 1488 1 4 . 1 1 63 63 LEU CA C 63 50.751 50.751 51.523 -0.772 19479 1489 1 4 . 1 1 63 63 LEU CB C 63 43.313 43.313 42.999 0.314 19479 1490 1 4 . 1 1 63 63 LEU H H 63 8.939 8.939 8.241 0.698 19479 1491 1 4 . 1 1 64 64 PRO HA H 64 4.446 4.446 4.520 -0.074 19479 1492 1 4 . 1 1 64 64 PRO CA C 64 62.060 62.060 61.860 0.200 19479 1493 1 4 . 1 1 64 64 PRO CB C 64 32.346 32.346 33.015 -0.669 19479 1494 1 4 . 1 1 65 65 LEU N N 65 126.325 126.325 123.787 2.538 19479 1495 1 4 . 1 1 65 65 LEU HA H 65 3.772 3.772 3.913 -0.141 19479 1496 1 4 . 1 1 65 65 LEU CA C 65 58.426 58.426 57.498 0.927 19479 1497 1 4 . 1 1 65 65 LEU CB C 65 40.688 40.688 41.865 -1.177 19479 1498 1 4 . 1 1 65 65 LEU H H 65 8.746 8.746 8.945 -0.199 19479 1499 1 4 . 1 1 66 66 LYS N N 66 114.157 114.157 117.904 -3.747 19479 1500 1 4 . 1 1 66 66 LYS HA H 66 3.999 3.999 4.356 -0.357 19479 1501 1 4 . 1 1 66 66 LYS CA C 66 59.383 59.383 59.310 0.073 19479 1502 1 4 . 1 1 66 66 LYS CB C 66 32.166 32.166 31.676 0.490 19479 1503 1 4 . 1 1 66 66 LYS H H 66 8.551 8.551 8.027 0.524 19479 1504 1 4 . 1 1 67 67 VAL N N 67 119.827 119.827 119.823 0.004 19479 1505 1 4 . 1 1 67 67 VAL HA H 67 3.611 3.611 3.685 -0.074 19479 1506 1 4 . 1 1 67 67 VAL CA C 67 65.655 65.655 65.429 0.226 19479 1507 1 4 . 1 1 67 67 VAL CB C 67 31.425 31.425 31.641 -0.216 19479 1508 1 4 . 1 1 67 67 VAL H H 67 7.190 7.190 7.614 -0.424 19479 1509 1 4 . 1 1 68 68 LEU N N 68 120.867 120.867 121.677 -0.810 19479 1510 1 4 . 1 1 68 68 LEU HA H 68 3.922 3.922 3.874 0.048 19479 1511 1 4 . 1 1 68 68 LEU CA C 68 58.322 58.322 57.881 0.441 19479 1512 1 4 . 1 1 68 68 LEU CB C 68 41.911 41.911 41.086 0.825 19479 1513 1 4 . 1 1 68 68 LEU H H 68 6.936 6.936 7.361 -0.425 19479 1514 1 4 . 1 1 69 69 PHE N N 69 112.682 112.682 117.127 -4.445 19479 1515 1 4 . 1 1 69 69 PHE HA H 69 4.265 4.265 4.698 -0.433 19479 1516 1 4 . 1 1 69 69 PHE CA C 69 60.265 60.265 60.178 0.086 19479 1517 1 4 . 1 1 69 69 PHE CB C 69 38.725 38.725 38.687 0.038 19479 1518 1 4 . 1 1 69 69 PHE H H 69 8.201 8.201 8.623 -0.422 19479 1519 1 4 . 1 1 70 70 ALA N N 70 118.803 118.803 121.709 -2.906 19479 1520 1 4 . 1 1 70 70 ALA HA H 70 4.302 4.302 3.452 0.850 19479 1521 1 4 . 1 1 70 70 ALA CA C 70 54.025 54.025 53.460 0.565 19479 1522 1 4 . 1 1 70 70 ALA CB C 70 19.656 19.656 19.359 0.297 19479 1523 1 4 . 1 1 70 70 ALA H H 70 7.448 7.448 7.128 0.320 19479 1524 1 4 . 1 1 71 71 GLN N N 71 116.280 116.280 115.180 1.100 19479 1525 1 4 . 1 1 71 71 GLN HA H 71 4.848 4.848 4.760 0.088 19479 1526 1 4 . 1 1 71 71 GLN CA C 71 53.120 53.120 52.479 0.641 19479 1527 1 4 . 1 1 71 71 GLN CB C 71 29.026 29.026 29.708 -0.682 19479 1528 1 4 . 1 1 71 71 GLN H H 71 7.561 7.561 7.937 -0.376 19479 1529 1 4 . 1 1 72 72 PRO HA H 72 4.989 4.989 4.728 0.261 19479 1530 1 4 . 1 1 72 72 PRO CA C 72 64.307 64.307 62.945 1.362 19479 1531 1 4 . 1 1 72 72 PRO CB C 72 30.240 30.240 30.288 -0.048 19479 1532 1 4 . 1 1 73 73 THR N N 73 109.972 109.972 112.273 -2.301 19479 1533 1 4 . 1 1 73 73 THR HA H 73 5.198 5.198 5.302 -0.104 19479 1534 1 4 . 1 1 73 73 THR CA C 73 59.292 59.292 59.712 -0.420 19479 1535 1 4 . 1 1 73 73 THR CB C 73 72.314 72.314 72.962 -0.648 19479 1536 1 4 . 1 1 73 73 THR H H 73 8.303 8.303 8.112 0.191 19479 1537 1 4 . 1 1 74 74 ILE N N 74 125.105 125.105 122.959 2.146 19479 1538 1 4 . 1 1 74 74 ILE HA H 74 3.061 3.061 3.248 -0.187 19479 1539 1 4 . 1 1 74 74 ILE CA C 74 66.019 66.019 63.811 2.208 19479 1540 1 4 . 1 1 74 74 ILE CB C 74 37.443 37.443 36.791 0.652 19479 1541 1 4 . 1 1 74 74 ILE H H 74 9.908 9.908 8.277 1.631 19479 1542 1 4 . 1 1 75 75 LYS N N 75 119.445 119.445 120.994 -1.549 19479 1543 1 4 . 1 1 75 75 LYS HA H 75 3.797 3.797 3.971 -0.174 19479 1544 1 4 . 1 1 75 75 LYS CA C 75 60.205 60.205 60.348 -0.143 19479 1545 1 4 . 1 1 75 75 LYS CB C 75 33.098 33.098 32.066 1.032 19479 1546 1 4 . 1 1 75 75 LYS H H 75 9.024 9.024 7.916 1.108 19479 1547 1 4 . 1 1 76 76 ALA N N 76 119.581 119.581 120.600 -1.019 19479 1548 1 4 . 1 1 76 76 ALA HA H 76 4.216 4.216 4.095 0.121 19479 1549 1 4 . 1 1 76 76 ALA CA C 76 54.809 54.809 54.809 0.000 19479 1550 1 4 . 1 1 76 76 ALA CB C 76 19.422 19.422 18.196 1.226 19479 1551 1 4 . 1 1 76 76 ALA H H 76 7.621 7.621 7.519 0.102 19479 1552 1 4 . 1 1 77 77 LEU N N 77 121.833 121.833 118.717 3.116 19479 1553 1 4 . 1 1 77 77 LEU HA H 77 4.097 4.097 4.009 0.088 19479 1554 1 4 . 1 1 77 77 LEU CA C 77 57.612 57.612 57.475 0.137 19479 1555 1 4 . 1 1 77 77 LEU CB C 77 42.192 42.192 41.380 0.812 19479 1556 1 4 . 1 1 77 77 LEU H H 77 8.915 8.915 7.903 1.012 19479 1557 1 4 . 1 1 78 78 ALA N N 78 120.481 120.481 122.428 -1.947 19479 1558 1 4 . 1 1 78 78 ALA HA H 78 3.751 3.751 3.890 -0.139 19479 1559 1 4 . 1 1 78 78 ALA CA C 78 55.117 55.117 55.471 -0.354 19479 1560 1 4 . 1 1 78 78 ALA CB C 78 19.603 19.603 18.376 1.227 19479 1561 1 4 . 1 1 78 78 ALA H H 78 9.393 9.393 8.673 0.720 19479 1562 1 4 . 1 1 79 79 GLN N N 79 117.799 117.799 117.779 0.020 19479 1563 1 4 . 1 1 79 79 GLN HA H 79 4.069 4.069 4.002 0.067 19479 1564 1 4 . 1 1 79 79 GLN CA C 79 58.790 58.790 58.274 0.516 19479 1565 1 4 . 1 1 79 79 GLN CB C 79 28.256 28.256 28.013 0.243 19479 1566 1 4 . 1 1 79 79 GLN H H 79 7.179 7.179 8.070 -0.891 19479 1567 1 4 . 1 1 80 80 TYR N N 80 121.754 121.754 121.956 -0.202 19479 1568 1 4 . 1 1 80 80 TYR HA H 80 3.982 3.982 4.107 -0.125 19479 1569 1 4 . 1 1 80 80 TYR CA C 80 61.965 61.965 61.499 0.466 19479 1570 1 4 . 1 1 80 80 TYR CB C 80 38.227 38.227 38.727 -0.500 19479 1571 1 4 . 1 1 80 80 TYR H H 80 7.716 7.716 7.802 -0.086 19479 1572 1 4 . 1 1 81 81 VAL N N 81 117.864 117.864 118.351 -0.487 19479 1573 1 4 . 1 1 81 81 VAL HA H 81 3.264 3.264 3.315 -0.051 19479 1574 1 4 . 1 1 81 81 VAL CA C 81 66.719 66.719 65.949 0.770 19479 1575 1 4 . 1 1 81 81 VAL CB C 81 32.032 32.032 31.535 0.497 19479 1576 1 4 . 1 1 81 81 VAL H H 81 8.536 8.536 8.581 -0.045 19479 1577 1 4 . 1 1 82 82 ALA N N 82 121.044 121.044 121.922 -0.878 19479 1578 1 4 . 1 1 82 82 ALA HA H 82 3.931 3.931 3.856 0.075 19479 1579 1 4 . 1 1 82 82 ALA CA C 82 55.130 55.130 55.178 -0.048 19479 1580 1 4 . 1 1 82 82 ALA CB C 82 18.588 18.588 18.097 0.491 19479 1581 1 4 . 1 1 82 82 ALA H H 82 8.420 8.420 8.124 0.296 19479 1582 1 4 . 1 1 83 83 THR N N 83 109.020 109.020 110.548 -1.528 19479 1583 1 4 . 1 1 83 83 THR HA H 83 4.081 4.081 3.634 0.447 19479 1584 1 4 . 1 1 83 83 THR CA C 83 64.388 64.388 64.107 0.281 19479 1585 1 4 . 1 1 83 83 THR CB C 83 69.529 69.529 68.766 0.763 19479 1586 1 4 . 1 1 83 83 THR H H 83 7.558 7.558 7.550 0.008 19479 1587 1 4 . 1 1 84 84 ARG N N 84 119.856 119.856 119.653 0.203 19479 1588 1 4 . 1 1 84 84 ARG HA H 84 4.199 4.199 4.293 -0.094 19479 1589 1 4 . 1 1 84 84 ARG CA C 84 56.279 56.279 57.842 -1.563 19479 1590 1 4 . 1 1 84 84 ARG CB C 84 30.866 30.866 30.746 0.120 19479 1591 1 4 . 1 1 84 84 ARG H H 84 7.368 7.368 7.422 -0.054 19479 1592 1 4 . 1 1 85 85 SER N N 85 114.607 114.607 114.852 -0.245 19479 1593 1 4 . 1 1 85 85 SER HA H 85 4.301 4.301 4.324 -0.023 19479 1594 1 4 . 1 1 85 85 SER CA C 85 58.927 58.927 58.004 0.923 19479 1595 1 4 . 1 1 85 85 SER CB C 85 63.778 63.778 63.048 0.730 19479 1596 1 4 . 1 1 85 85 SER H H 85 7.783 7.783 7.860 -0.077 19479 1597 1 4 . 1 1 86 86 HIS HA H 86 4.608 4.608 4.397 0.211 19479 1598 1 4 . 1 1 86 86 HIS CA C 86 56.102 56.102 56.413 -0.311 19479 1599 1 4 . 1 1 86 86 HIS CB C 86 30.233 30.233 29.873 0.360 19479 1600 1 4 . 1 1 87 87 HIS N N 87 125.453 125.453 123.010 2.443 19479 1601 1 4 . 1 1 87 87 HIS HA H 87 4.421 4.421 4.229 0.192 19479 1602 1 4 . 1 1 87 87 HIS CA C 87 57.381 57.381 56.205 1.176 19479 1603 1 4 . 1 1 87 87 HIS CB C 87 30.430 30.430 30.605 -0.174 19479 1604 1 4 . 1 1 87 87 HIS H H 87 8.102 8.102 8.467 -0.365 19479 1605 1 5 . 1 1 3 3 VAL HA H 3 4.160 4.160 4.187 -0.027 19479 1606 1 5 . 1 1 3 3 VAL CA C 3 63.130 63.130 61.726 1.404 19479 1607 1 5 . 1 1 3 3 VAL CB C 3 32.605 32.605 32.211 0.394 19479 1608 1 5 . 1 1 4 4 THR N N 4 117.074 117.074 113.177 3.897 19479 1609 1 5 . 1 1 4 4 THR HA H 4 4.454 4.454 4.474 -0.020 19479 1610 1 5 . 1 1 4 4 THR CA C 4 61.454 61.454 61.023 0.431 19479 1611 1 5 . 1 1 4 4 THR CB C 4 70.203 70.203 68.901 1.302 19479 1612 1 5 . 1 1 4 4 THR H H 4 8.269 8.269 8.169 0.100 19479 1613 1 5 . 1 1 5 5 GLU N N 5 122.628 122.628 118.601 4.027 19479 1614 1 5 . 1 1 5 5 GLU HA H 5 4.305 4.305 3.938 0.367 19479 1615 1 5 . 1 1 5 5 GLU CA C 5 56.689 56.689 57.074 -0.385 19479 1616 1 5 . 1 1 5 5 GLU CB C 5 30.297 30.297 28.994 1.303 19479 1617 1 5 . 1 1 5 5 GLU H H 5 8.465 8.465 8.702 -0.237 19479 1618 1 5 . 1 1 6 6 ALA N N 6 124.915 124.915 121.572 3.343 19479 1619 1 5 . 1 1 6 6 ALA HA H 6 4.301 4.301 4.143 0.158 19479 1620 1 5 . 1 1 6 6 ALA CA C 6 52.392 52.392 53.125 -0.733 19479 1621 1 5 . 1 1 6 6 ALA CB C 6 19.520 19.520 19.287 0.233 19479 1622 1 5 . 1 1 6 6 ALA H H 6 8.333 8.333 7.481 0.852 19479 1623 1 5 . 1 1 7 7 GLN N N 7 120.476 120.476 122.606 -2.130 19479 1624 1 5 . 1 1 7 7 GLN HA H 7 4.275 4.275 4.305 -0.030 19479 1625 1 5 . 1 1 7 7 GLN CA C 7 55.512 55.512 55.266 0.246 19479 1626 1 5 . 1 1 7 7 GLN CB C 7 29.495 29.495 29.679 -0.184 19479 1627 1 5 . 1 1 7 7 GLN H H 7 8.340 8.340 8.127 0.213 19479 1628 1 5 . 1 1 8 8 TYR N N 8 124.499 124.499 124.825 -0.326 19479 1629 1 5 . 1 1 8 8 TYR HA H 8 4.386 4.386 4.164 0.222 19479 1630 1 5 . 1 1 8 8 TYR CA C 8 60.233 60.233 59.650 0.583 19479 1631 1 5 . 1 1 8 8 TYR CB C 8 38.173 38.173 38.780 -0.607 19479 1632 1 5 . 1 1 8 8 TYR H H 8 8.506 8.506 8.782 -0.276 19479 1633 1 5 . 1 1 9 9 VAL N N 9 130.011 130.011 129.191 0.820 19479 1634 1 5 . 1 1 9 9 VAL HA H 9 3.748 3.748 3.876 -0.128 19479 1635 1 5 . 1 1 9 9 VAL CA C 9 61.317 61.317 61.003 0.314 19479 1636 1 5 . 1 1 9 9 VAL CB C 9 34.738 34.738 34.681 0.056 19479 1637 1 5 . 1 1 9 9 VAL H H 9 6.756 6.756 8.089 -1.333 19479 1638 1 5 . 1 1 10 10 ALA N N 10 130.264 130.264 129.613 0.651 19479 1639 1 5 . 1 1 10 10 ALA HA H 10 4.172 4.172 4.146 0.026 19479 1640 1 5 . 1 1 10 10 ALA CA C 10 50.602 50.602 50.140 0.462 19479 1641 1 5 . 1 1 10 10 ALA CB C 10 17.676 17.676 18.300 -0.624 19479 1642 1 5 . 1 1 10 10 ALA H H 10 8.125 8.125 7.951 0.174 19479 1643 1 5 . 1 1 11 11 PRO HA H 11 4.186 4.186 4.229 -0.043 19479 1644 1 5 . 1 1 11 11 PRO CA C 11 63.808 63.808 62.931 0.877 19479 1645 1 5 . 1 1 11 11 PRO CB C 11 32.674 32.674 32.082 0.592 19479 1646 1 5 . 1 1 12 12 THR N N 12 113.591 113.591 114.682 -1.091 19479 1647 1 5 . 1 1 12 12 THR HA H 12 4.469 4.469 4.431 0.038 19479 1648 1 5 . 1 1 12 12 THR CA C 12 61.950 61.950 61.407 0.543 19479 1649 1 5 . 1 1 12 12 THR CB C 12 71.622 71.622 68.956 2.666 19479 1650 1 5 . 1 1 12 12 THR H H 12 9.701 9.701 8.263 1.438 19479 1651 1 5 . 1 1 13 13 ASN N N 13 116.088 116.088 117.791 -1.703 19479 1652 1 5 . 1 1 13 13 ASN HA H 13 4.771 4.771 4.907 -0.136 19479 1653 1 5 . 1 1 13 13 ASN CA C 13 51.947 51.947 52.155 -0.208 19479 1654 1 5 . 1 1 13 13 ASN CB C 13 39.736 39.736 40.703 -0.967 19479 1655 1 5 . 1 1 13 13 ASN H H 13 7.423 7.423 7.715 -0.292 19479 1656 1 5 . 1 1 14 14 ALA HA H 14 4.136 4.136 4.120 0.016 19479 1657 1 5 . 1 1 14 14 ALA CA C 14 55.484 55.484 55.052 0.432 19479 1658 1 5 . 1 1 14 14 ALA CB C 14 19.020 19.020 18.573 0.447 19479 1659 1 5 . 1 1 15 15 VAL N N 15 120.332 120.332 119.645 0.687 19479 1660 1 5 . 1 1 15 15 VAL HA H 15 4.191 4.191 3.733 0.458 19479 1661 1 5 . 1 1 15 15 VAL CA C 15 65.158 65.158 66.448 -1.290 19479 1662 1 5 . 1 1 15 15 VAL CB C 15 31.513 31.513 31.380 0.133 19479 1663 1 5 . 1 1 15 15 VAL H H 15 7.938 7.938 8.253 -0.315 19479 1664 1 5 . 1 1 16 16 GLU N N 16 118.751 118.751 119.385 -0.634 19479 1665 1 5 . 1 1 16 16 GLU HA H 16 3.550 3.550 3.864 -0.314 19479 1666 1 5 . 1 1 16 16 GLU CA C 16 59.495 59.495 59.740 -0.245 19479 1667 1 5 . 1 1 16 16 GLU CB C 16 30.851 30.851 28.958 1.893 19479 1668 1 5 . 1 1 16 16 GLU H H 16 8.470 8.470 8.637 -0.167 19479 1669 1 5 . 1 1 17 17 SER N N 17 112.637 112.637 115.776 -3.139 19479 1670 1 5 . 1 1 17 17 SER HA H 17 3.968 3.968 4.055 -0.087 19479 1671 1 5 . 1 1 17 17 SER CA C 17 62.523 62.523 62.046 0.477 19479 1672 1 5 . 1 1 17 17 SER CB C 17 62.669 62.669 63.133 -0.464 19479 1673 1 5 . 1 1 17 17 SER H H 17 8.386 8.386 7.965 0.421 19479 1674 1 5 . 1 1 18 18 LYS N N 18 124.394 124.394 121.856 2.538 19479 1675 1 5 . 1 1 18 18 LYS HA H 18 4.287 4.287 4.101 0.186 19479 1676 1 5 . 1 1 18 18 LYS CA C 18 57.421 57.421 58.943 -1.522 19479 1677 1 5 . 1 1 18 18 LYS CB C 18 30.018 30.018 32.296 -2.278 19479 1678 1 5 . 1 1 18 18 LYS H H 18 8.104 8.104 8.018 0.086 19479 1679 1 5 . 1 1 19 19 LEU N N 19 118.589 118.589 119.379 -0.790 19479 1680 1 5 . 1 1 19 19 LEU HA H 19 4.027 4.027 4.075 -0.048 19479 1681 1 5 . 1 1 19 19 LEU CA C 19 58.178 58.178 58.233 -0.055 19479 1682 1 5 . 1 1 19 19 LEU CB C 19 42.135 42.135 41.483 0.652 19479 1683 1 5 . 1 1 19 19 LEU H H 19 8.742 8.742 8.051 0.691 19479 1684 1 5 . 1 1 20 20 ALA N N 20 121.037 121.037 121.235 -0.198 19479 1685 1 5 . 1 1 20 20 ALA HA H 20 3.775 3.775 3.694 0.081 19479 1686 1 5 . 1 1 20 20 ALA CA C 20 56.194 56.194 55.034 1.160 19479 1687 1 5 . 1 1 20 20 ALA CB C 20 16.862 16.862 17.981 -1.119 19479 1688 1 5 . 1 1 20 20 ALA H H 20 8.199 8.199 7.823 0.376 19479 1689 1 5 . 1 1 21 21 GLU N N 21 118.948 118.948 118.317 0.631 19479 1690 1 5 . 1 1 21 21 GLU HA H 21 4.129 4.129 4.318 -0.189 19479 1691 1 5 . 1 1 21 21 GLU CA C 21 59.788 59.788 59.211 0.577 19479 1692 1 5 . 1 1 21 21 GLU CB C 21 29.887 29.887 29.656 0.231 19479 1693 1 5 . 1 1 21 21 GLU H H 21 7.716 7.716 7.728 -0.012 19479 1694 1 5 . 1 1 22 22 ILE N N 22 120.355 120.355 120.191 0.164 19479 1695 1 5 . 1 1 22 22 ILE HA H 22 3.780 3.780 3.860 -0.080 19479 1696 1 5 . 1 1 22 22 ILE CA C 22 65.850 65.850 64.626 1.224 19479 1697 1 5 . 1 1 22 22 ILE CB C 22 38.677 38.677 37.614 1.063 19479 1698 1 5 . 1 1 22 22 ILE H H 22 8.409 8.409 7.320 1.089 19479 1699 1 5 . 1 1 23 23 TRP N N 23 120.272 120.272 119.901 0.371 19479 1700 1 5 . 1 1 23 23 TRP HA H 23 4.191 4.191 4.347 -0.156 19479 1701 1 5 . 1 1 23 23 TRP CA C 23 61.819 61.819 60.988 0.831 19479 1702 1 5 . 1 1 23 23 TRP CB C 23 29.177 29.177 28.547 0.629 19479 1703 1 5 . 1 1 23 23 TRP H H 23 9.551 9.551 8.080 1.471 19479 1704 1 5 . 1 1 24 24 GLU N N 24 119.281 119.281 119.700 -0.419 19479 1705 1 5 . 1 1 24 24 GLU HA H 24 4.210 4.210 4.180 0.030 19479 1706 1 5 . 1 1 24 24 GLU CA C 24 60.695 60.695 59.605 1.090 19479 1707 1 5 . 1 1 24 24 GLU CB C 24 29.397 29.397 29.357 0.040 19479 1708 1 5 . 1 1 24 24 GLU H H 24 9.039 9.039 7.968 1.071 19479 1709 1 5 . 1 1 25 25 ARG N N 25 119.408 119.408 118.596 0.812 19479 1710 1 5 . 1 1 25 25 ARG HA H 25 4.205 4.205 4.106 0.099 19479 1711 1 5 . 1 1 25 25 ARG CA C 25 59.015 59.015 58.642 0.373 19479 1712 1 5 . 1 1 25 25 ARG CB C 25 30.246 30.246 30.470 -0.224 19479 1713 1 5 . 1 1 25 25 ARG H H 25 8.060 8.060 7.638 0.422 19479 1714 1 5 . 1 1 26 26 VAL N N 26 119.220 119.220 118.438 0.782 19479 1715 1 5 . 1 1 26 26 VAL HA H 26 3.782 3.782 3.683 0.099 19479 1716 1 5 . 1 1 26 26 VAL CA C 26 65.845 65.845 65.275 0.570 19479 1717 1 5 . 1 1 26 26 VAL CB C 26 32.717 32.717 32.152 0.565 19479 1718 1 5 . 1 1 26 26 VAL H H 26 8.475 8.475 7.518 0.957 19479 1719 1 5 . 1 1 27 27 LEU N N 27 116.095 116.095 115.204 0.891 19479 1720 1 5 . 1 1 27 27 LEU HA H 27 4.018 4.018 4.106 -0.088 19479 1721 1 5 . 1 1 27 27 LEU CA C 27 55.757 55.757 55.450 0.307 19479 1722 1 5 . 1 1 27 27 LEU CB C 27 42.504 42.504 42.268 0.236 19479 1723 1 5 . 1 1 27 27 LEU H H 27 9.005 9.005 8.193 0.812 19479 1724 1 5 . 1 1 28 28 GLY N N 28 108.722 108.722 108.143 0.579 19479 1725 1 5 . 1 1 28 28 GLY CA C 28 46.721 46.721 45.976 0.745 19479 1726 1 5 . 1 1 28 28 GLY H H 28 8.056 8.056 8.075 -0.019 19479 1727 1 5 . 1 1 29 29 VAL N N 29 115.103 115.103 114.171 0.932 19479 1728 1 5 . 1 1 29 29 VAL HA H 29 4.457 4.457 4.801 -0.344 19479 1729 1 5 . 1 1 29 29 VAL CA C 29 59.845 59.845 59.093 0.752 19479 1730 1 5 . 1 1 29 29 VAL CB C 29 35.477 35.477 35.032 0.445 19479 1731 1 5 . 1 1 29 29 VAL H H 29 7.044 7.044 7.604 -0.560 19479 1732 1 5 . 1 1 30 30 SER N N 30 115.417 115.417 114.569 0.848 19479 1733 1 5 . 1 1 30 30 SER HA H 30 4.683 4.683 4.937 -0.254 19479 1734 1 5 . 1 1 30 30 SER CA C 30 56.970 56.970 57.507 -0.537 19479 1735 1 5 . 1 1 30 30 SER CB C 30 65.294 65.294 64.228 1.067 19479 1736 1 5 . 1 1 30 30 SER H H 30 8.151 8.151 8.276 -0.125 19479 1737 1 5 . 1 1 31 31 GLY N N 31 112.008 112.008 113.483 -1.475 19479 1738 1 5 . 1 1 31 31 GLY CA C 31 46.545 46.545 44.911 1.634 19479 1739 1 5 . 1 1 31 31 GLY H H 31 8.573 8.573 8.584 -0.011 19479 1740 1 5 . 1 1 32 32 ILE N N 32 121.204 121.204 120.360 0.844 19479 1741 1 5 . 1 1 32 32 ILE HA H 32 3.898 3.898 4.538 -0.640 19479 1742 1 5 . 1 1 32 32 ILE CA C 32 63.126 63.126 58.841 4.285 19479 1743 1 5 . 1 1 32 32 ILE CB C 32 38.993 38.993 37.922 1.071 19479 1744 1 5 . 1 1 32 32 ILE H H 32 8.241 8.241 7.854 0.387 19479 1745 1 5 . 1 1 33 33 GLY N N 33 115.038 115.038 113.672 1.366 19479 1746 1 5 . 1 1 33 33 GLY CA C 33 44.330 44.330 43.331 0.999 19479 1747 1 5 . 1 1 33 33 GLY H H 33 8.760 8.760 9.106 -0.346 19479 1748 1 5 . 1 1 34 34 ILE N N 34 110.067 110.067 116.428 -6.361 19479 1749 1 5 . 1 1 34 34 ILE HA H 34 4.017 4.017 3.989 0.028 19479 1750 1 5 . 1 1 34 34 ILE CA C 34 64.500 64.500 63.833 0.667 19479 1751 1 5 . 1 1 34 34 ILE CB C 34 37.731 37.731 38.403 -0.672 19479 1752 1 5 . 1 1 34 34 ILE H H 34 8.566 8.566 8.260 0.306 19479 1753 1 5 . 1 1 35 35 LEU N N 35 117.052 117.052 114.578 2.474 19479 1754 1 5 . 1 1 35 35 LEU HA H 35 4.692 4.692 4.515 0.177 19479 1755 1 5 . 1 1 35 35 LEU CA C 35 53.247 53.247 54.467 -1.220 19479 1756 1 5 . 1 1 35 35 LEU CB C 35 42.094 42.094 41.723 0.371 19479 1757 1 5 . 1 1 35 35 LEU H H 35 8.191 8.191 7.813 0.378 19479 1758 1 5 . 1 1 36 36 ASP N N 36 121.535 121.535 120.291 1.244 19479 1759 1 5 . 1 1 36 36 ASP HA H 36 4.387 4.387 4.651 -0.264 19479 1760 1 5 . 1 1 36 36 ASP CA C 36 55.244 55.244 53.067 2.177 19479 1761 1 5 . 1 1 36 36 ASP CB C 36 41.170 41.170 41.488 -0.318 19479 1762 1 5 . 1 1 36 36 ASP H H 36 7.098 7.098 7.930 -0.832 19479 1763 1 5 . 1 1 37 37 ASN N N 37 123.266 123.266 122.154 1.112 19479 1764 1 5 . 1 1 37 37 ASN HA H 37 4.954 4.954 5.019 -0.065 19479 1765 1 5 . 1 1 37 37 ASN CA C 37 53.319 53.319 53.340 -0.021 19479 1766 1 5 . 1 1 37 37 ASN CB C 37 39.610 39.610 39.025 0.585 19479 1767 1 5 . 1 1 37 37 ASN H H 37 9.116 9.116 8.775 0.341 19479 1768 1 5 . 1 1 38 38 PHE N N 38 126.469 126.469 127.986 -1.517 19479 1769 1 5 . 1 1 38 38 PHE HA H 38 3.393 3.393 3.840 -0.447 19479 1770 1 5 . 1 1 38 38 PHE CA C 38 61.965 61.965 62.431 -0.466 19479 1771 1 5 . 1 1 38 38 PHE CB C 38 40.851 40.851 38.833 2.018 19479 1772 1 5 . 1 1 38 38 PHE H H 38 9.344 9.344 8.691 0.653 19479 1773 1 5 . 1 1 39 39 PHE N N 39 112.189 112.189 113.894 -1.705 19479 1774 1 5 . 1 1 39 39 PHE HA H 39 3.933 3.933 4.569 -0.636 19479 1775 1 5 . 1 1 39 39 PHE CA C 39 59.682 59.682 59.962 -0.281 19479 1776 1 5 . 1 1 39 39 PHE CB C 39 38.040 38.040 38.338 -0.298 19479 1777 1 5 . 1 1 39 39 PHE H H 39 8.052 8.052 7.824 0.228 19479 1778 1 5 . 1 1 40 40 GLN N N 40 119.928 119.928 119.300 0.628 19479 1779 1 5 . 1 1 40 40 GLN HA H 40 4.392 4.392 4.164 0.228 19479 1780 1 5 . 1 1 40 40 GLN CA C 40 57.191 57.191 58.083 -0.892 19479 1781 1 5 . 1 1 40 40 GLN CB C 40 29.466 29.466 28.264 1.202 19479 1782 1 5 . 1 1 40 40 GLN H H 40 8.297 8.297 7.716 0.581 19479 1783 1 5 . 1 1 41 41 ILE N N 41 110.997 110.997 117.382 -6.385 19479 1784 1 5 . 1 1 41 41 ILE HA H 41 4.493 4.493 3.870 0.623 19479 1785 1 5 . 1 1 41 41 ILE CA C 41 61.348 61.348 62.812 -1.464 19479 1786 1 5 . 1 1 41 41 ILE CB C 41 37.882 37.882 38.599 -0.717 19479 1787 1 5 . 1 1 41 41 ILE H H 41 7.133 7.133 7.942 -0.809 19479 1788 1 5 . 1 1 42 42 GLY N N 42 106.355 106.355 104.904 1.451 19479 1789 1 5 . 1 1 42 42 GLY CA C 42 44.679 44.679 44.412 0.267 19479 1790 1 5 . 1 1 42 42 GLY H H 42 7.433 7.433 7.412 0.021 19479 1791 1 5 . 1 1 43 43 GLY N N 43 107.808 107.808 109.534 -1.726 19479 1792 1 5 . 1 1 43 43 GLY CA C 43 45.389 45.389 44.436 0.953 19479 1793 1 5 . 1 1 43 43 GLY H H 43 7.826 7.826 7.476 0.350 19479 1794 1 5 . 1 1 44 44 HIS N N 44 112.337 112.337 117.014 -4.677 19479 1795 1 5 . 1 1 44 44 HIS HA H 44 4.979 4.979 5.082 -0.103 19479 1796 1 5 . 1 1 44 44 HIS CA C 44 54.773 54.773 54.806 -0.034 19479 1797 1 5 . 1 1 44 44 HIS CB C 44 31.867 31.867 31.004 0.863 19479 1798 1 5 . 1 1 44 44 HIS H H 44 6.369 6.369 7.780 -1.411 19479 1799 1 5 . 1 1 45 45 ALA HA H 45 4.264 4.264 4.175 0.089 19479 1800 1 5 . 1 1 45 45 ALA CA C 45 57.581 57.581 55.614 1.967 19479 1801 1 5 . 1 1 45 45 ALA CB C 45 18.718 18.718 18.301 0.417 19479 1802 1 5 . 1 1 46 46 LEU N N 46 117.791 117.791 118.307 -0.516 19479 1803 1 5 . 1 1 46 46 LEU HA H 46 4.420 4.420 4.063 0.357 19479 1804 1 5 . 1 1 46 46 LEU CA C 46 58.559 58.559 58.408 0.151 19479 1805 1 5 . 1 1 46 46 LEU CB C 46 41.652 41.652 42.079 -0.427 19479 1806 1 5 . 1 1 46 46 LEU H H 46 8.807 8.807 8.298 0.509 19479 1807 1 5 . 1 1 47 47 LYS N N 47 118.822 118.822 117.960 0.862 19479 1808 1 5 . 1 1 47 47 LYS HA H 47 4.200 4.200 3.861 0.339 19479 1809 1 5 . 1 1 47 47 LYS CA C 47 58.352 58.352 58.544 -0.192 19479 1810 1 5 . 1 1 47 47 LYS CB C 47 32.994 32.994 31.379 1.615 19479 1811 1 5 . 1 1 47 47 LYS H H 47 7.589 7.589 7.202 0.387 19479 1812 1 5 . 1 1 48 48 ALA N N 48 122.769 122.769 122.304 0.465 19479 1813 1 5 . 1 1 48 48 ALA HA H 48 3.575 3.575 3.600 -0.025 19479 1814 1 5 . 1 1 48 48 ALA CA C 48 55.102 55.102 54.970 0.132 19479 1815 1 5 . 1 1 48 48 ALA CB C 48 18.239 18.239 17.889 0.350 19479 1816 1 5 . 1 1 48 48 ALA H H 48 8.736 8.736 8.492 0.244 19479 1817 1 5 . 1 1 49 49 MET N N 49 116.936 116.936 116.201 0.735 19479 1818 1 5 . 1 1 49 49 MET HA H 49 4.169 4.169 4.048 0.121 19479 1819 1 5 . 1 1 49 49 MET CA C 49 58.869 58.869 59.324 -0.455 19479 1820 1 5 . 1 1 49 49 MET CB C 49 32.511 32.511 32.427 0.084 19479 1821 1 5 . 1 1 49 49 MET H H 49 8.000 8.000 7.810 0.190 19479 1822 1 5 . 1 1 50 50 ALA N N 50 123.686 123.686 122.699 0.987 19479 1823 1 5 . 1 1 50 50 ALA HA H 50 4.401 4.401 4.114 0.287 19479 1824 1 5 . 1 1 50 50 ALA CA C 50 55.265 55.265 55.126 0.139 19479 1825 1 5 . 1 1 50 50 ALA CB C 50 18.320 18.320 17.896 0.424 19479 1826 1 5 . 1 1 50 50 ALA H H 50 7.389 7.389 7.440 -0.051 19479 1827 1 5 . 1 1 51 51 VAL N N 51 118.885 118.885 119.396 -0.511 19479 1828 1 5 . 1 1 51 51 VAL HA H 51 3.437 3.437 3.599 -0.162 19479 1829 1 5 . 1 1 51 51 VAL CA C 51 66.975 66.975 65.927 1.048 19479 1830 1 5 . 1 1 51 51 VAL CB C 51 31.268 31.268 30.730 0.537 19479 1831 1 5 . 1 1 51 51 VAL H H 51 7.981 7.981 7.905 0.076 19479 1832 1 5 . 1 1 52 52 ALA N N 52 121.555 121.555 121.548 0.007 19479 1833 1 5 . 1 1 52 52 ALA HA H 52 3.990 3.990 3.902 0.088 19479 1834 1 5 . 1 1 52 52 ALA CA C 52 56.056 56.056 55.015 1.041 19479 1835 1 5 . 1 1 52 52 ALA CB C 52 18.099 18.099 18.109 -0.010 19479 1836 1 5 . 1 1 52 52 ALA H H 52 8.499 8.499 8.191 0.308 19479 1837 1 5 . 1 1 53 53 ALA N N 53 121.958 121.958 121.837 0.121 19479 1838 1 5 . 1 1 53 53 ALA HA H 53 4.346 4.346 3.995 0.351 19479 1839 1 5 . 1 1 53 53 ALA CA C 53 55.454 55.454 54.786 0.668 19479 1840 1 5 . 1 1 53 53 ALA CB C 53 18.079 18.079 18.498 -0.419 19479 1841 1 5 . 1 1 53 53 ALA H H 53 8.238 8.238 7.649 0.589 19479 1842 1 5 . 1 1 54 54 GLN N N 54 118.520 118.520 117.978 0.542 19479 1843 1 5 . 1 1 54 54 GLN HA H 54 4.157 4.157 4.079 0.078 19479 1844 1 5 . 1 1 54 54 GLN CA C 54 59.303 59.303 59.118 0.185 19479 1845 1 5 . 1 1 54 54 GLN CB C 54 28.684 28.684 28.953 -0.269 19479 1846 1 5 . 1 1 54 54 GLN H H 54 7.914 7.914 7.795 0.119 19479 1847 1 5 . 1 1 55 55 VAL N N 55 121.643 121.643 120.400 1.243 19479 1848 1 5 . 1 1 55 55 VAL HA H 55 3.673 3.673 3.973 -0.300 19479 1849 1 5 . 1 1 55 55 VAL CA C 55 67.521 67.521 66.857 0.664 19479 1850 1 5 . 1 1 55 55 VAL CB C 55 31.569 31.569 31.387 0.182 19479 1851 1 5 . 1 1 55 55 VAL H H 55 8.915 8.915 8.490 0.425 19479 1852 1 5 . 1 1 56 56 HIS N N 56 120.993 120.993 120.278 0.715 19479 1853 1 5 . 1 1 56 56 HIS HA H 56 4.314 4.314 4.666 -0.352 19479 1854 1 5 . 1 1 56 56 HIS CA C 56 60.994 60.994 59.000 1.994 19479 1855 1 5 . 1 1 56 56 HIS CB C 56 30.226 30.226 29.892 0.334 19479 1856 1 5 . 1 1 56 56 HIS H H 56 8.328 8.328 8.086 0.242 19479 1857 1 5 . 1 1 57 57 ARG N N 57 119.241 119.241 117.790 1.451 19479 1858 1 5 . 1 1 57 57 ARG HA H 57 3.963 3.963 4.247 -0.284 19479 1859 1 5 . 1 1 57 57 ARG CA C 57 59.269 59.269 58.617 0.652 19479 1860 1 5 . 1 1 57 57 ARG CB C 57 30.220 30.220 29.981 0.239 19479 1861 1 5 . 1 1 57 57 ARG H H 57 7.849 7.849 7.807 0.042 19479 1862 1 5 . 1 1 58 58 GLU N N 58 116.079 116.079 118.962 -2.883 19479 1863 1 5 . 1 1 58 58 GLU HA H 58 3.944 3.944 4.195 -0.251 19479 1864 1 5 . 1 1 58 58 GLU CA C 58 58.351 58.351 58.227 0.124 19479 1865 1 5 . 1 1 58 58 GLU CB C 58 30.571 30.571 30.277 0.293 19479 1866 1 5 . 1 1 58 58 GLU H H 58 7.874 7.874 8.115 -0.241 19479 1867 1 5 . 1 1 59 59 TYR N N 59 112.274 112.274 116.456 -4.182 19479 1868 1 5 . 1 1 59 59 TYR HA H 59 4.686 4.686 4.664 0.022 19479 1869 1 5 . 1 1 59 59 TYR CA C 59 58.616 58.616 57.730 0.886 19479 1870 1 5 . 1 1 59 59 TYR CB C 59 40.589 40.589 38.712 1.877 19479 1871 1 5 . 1 1 59 59 TYR H H 59 8.303 8.303 8.419 -0.116 19479 1872 1 5 . 1 1 60 60 GLN N N 60 115.629 115.629 116.184 -0.555 19479 1873 1 5 . 1 1 60 60 GLN HA H 60 3.481 3.481 4.271 -0.790 19479 1874 1 5 . 1 1 60 60 GLN CA C 60 57.418 57.418 56.797 0.621 19479 1875 1 5 . 1 1 60 60 GLN CB C 60 25.628 25.628 26.894 -1.266 19479 1876 1 5 . 1 1 60 60 GLN H H 60 8.382 8.382 7.763 0.619 19479 1877 1 5 . 1 1 61 61 VAL N N 61 114.547 114.547 116.751 -2.204 19479 1878 1 5 . 1 1 61 61 VAL HA H 61 4.347 4.347 4.147 0.200 19479 1879 1 5 . 1 1 61 61 VAL CA C 61 60.118 60.118 60.296 -0.178 19479 1880 1 5 . 1 1 61 61 VAL CB C 61 35.547 35.547 35.183 0.364 19479 1881 1 5 . 1 1 61 61 VAL H H 61 6.532 6.532 7.947 -1.415 19479 1882 1 5 . 1 1 62 62 GLU N N 62 125.938 125.938 127.864 -1.926 19479 1883 1 5 . 1 1 62 62 GLU HA H 62 4.270 4.270 3.516 0.754 19479 1884 1 5 . 1 1 62 62 GLU CA C 62 55.857 55.857 57.083 -1.226 19479 1885 1 5 . 1 1 62 62 GLU CB C 62 30.334 30.334 30.182 0.152 19479 1886 1 5 . 1 1 62 62 GLU H H 62 8.741 8.741 8.270 0.471 19479 1887 1 5 . 1 1 63 63 LEU N N 63 127.837 127.837 127.472 0.365 19479 1888 1 5 . 1 1 63 63 LEU HA H 63 4.845 4.845 4.846 -0.001 19479 1889 1 5 . 1 1 63 63 LEU CA C 63 50.751 50.751 51.110 -0.359 19479 1890 1 5 . 1 1 63 63 LEU CB C 63 43.313 43.313 43.279 0.034 19479 1891 1 5 . 1 1 63 63 LEU H H 63 8.939 8.939 8.420 0.519 19479 1892 1 5 . 1 1 64 64 PRO HA H 64 4.446 4.446 4.576 -0.130 19479 1893 1 5 . 1 1 64 64 PRO CA C 64 62.060 62.060 61.994 0.066 19479 1894 1 5 . 1 1 64 64 PRO CB C 64 32.346 32.346 32.770 -0.423 19479 1895 1 5 . 1 1 65 65 LEU N N 65 126.325 126.325 124.355 1.970 19479 1896 1 5 . 1 1 65 65 LEU HA H 65 3.772 3.772 4.059 -0.287 19479 1897 1 5 . 1 1 65 65 LEU CA C 65 58.426 58.426 57.608 0.818 19479 1898 1 5 . 1 1 65 65 LEU CB C 65 40.688 40.688 41.319 -0.631 19479 1899 1 5 . 1 1 65 65 LEU H H 65 8.746 8.746 8.577 0.169 19479 1900 1 5 . 1 1 66 66 LYS N N 66 114.157 114.157 118.773 -4.616 19479 1901 1 5 . 1 1 66 66 LYS HA H 66 3.999 3.999 4.345 -0.346 19479 1902 1 5 . 1 1 66 66 LYS CA C 66 59.383 59.383 59.050 0.333 19479 1903 1 5 . 1 1 66 66 LYS CB C 66 32.166 32.166 31.738 0.428 19479 1904 1 5 . 1 1 66 66 LYS H H 66 8.551 8.551 8.494 0.057 19479 1905 1 5 . 1 1 67 67 VAL N N 67 119.827 119.827 118.445 1.382 19479 1906 1 5 . 1 1 67 67 VAL HA H 67 3.611 3.611 3.847 -0.236 19479 1907 1 5 . 1 1 67 67 VAL CA C 67 65.655 65.655 64.539 1.116 19479 1908 1 5 . 1 1 67 67 VAL CB C 67 31.425 31.425 31.729 -0.304 19479 1909 1 5 . 1 1 67 67 VAL H H 67 7.190 7.190 7.510 -0.320 19479 1910 1 5 . 1 1 68 68 LEU N N 68 120.867 120.867 121.915 -1.048 19479 1911 1 5 . 1 1 68 68 LEU HA H 68 3.922 3.922 3.919 0.003 19479 1912 1 5 . 1 1 68 68 LEU CA C 68 58.322 58.322 57.909 0.413 19479 1913 1 5 . 1 1 68 68 LEU CB C 68 41.911 41.911 41.027 0.884 19479 1914 1 5 . 1 1 68 68 LEU H H 68 6.936 6.936 7.415 -0.479 19479 1915 1 5 . 1 1 69 69 PHE N N 69 112.682 112.682 117.651 -4.969 19479 1916 1 5 . 1 1 69 69 PHE HA H 69 4.265 4.265 4.789 -0.524 19479 1917 1 5 . 1 1 69 69 PHE CA C 69 60.265 60.265 60.095 0.170 19479 1918 1 5 . 1 1 69 69 PHE CB C 69 38.725 38.725 38.699 0.026 19479 1919 1 5 . 1 1 69 69 PHE H H 69 8.201 8.201 8.620 -0.419 19479 1920 1 5 . 1 1 70 70 ALA N N 70 118.803 118.803 121.972 -3.169 19479 1921 1 5 . 1 1 70 70 ALA HA H 70 4.302 4.302 3.588 0.714 19479 1922 1 5 . 1 1 70 70 ALA CA C 70 54.025 54.025 53.040 0.985 19479 1923 1 5 . 1 1 70 70 ALA CB C 70 19.656 19.656 19.331 0.326 19479 1924 1 5 . 1 1 70 70 ALA H H 70 7.448 7.448 7.273 0.175 19479 1925 1 5 . 1 1 71 71 GLN N N 71 116.280 116.280 116.141 0.139 19479 1926 1 5 . 1 1 71 71 GLN HA H 71 4.848 4.848 4.773 0.075 19479 1927 1 5 . 1 1 71 71 GLN CA C 71 53.120 53.120 52.547 0.573 19479 1928 1 5 . 1 1 71 71 GLN CB C 71 29.026 29.026 30.339 -1.313 19479 1929 1 5 . 1 1 71 71 GLN H H 71 7.561 7.561 8.060 -0.499 19479 1930 1 5 . 1 1 72 72 PRO HA H 72 4.989 4.989 4.539 0.450 19479 1931 1 5 . 1 1 72 72 PRO CA C 72 64.307 64.307 63.276 1.031 19479 1932 1 5 . 1 1 72 72 PRO CB C 72 30.240 30.240 29.827 0.413 19479 1933 1 5 . 1 1 73 73 THR N N 73 109.972 109.972 110.098 -0.126 19479 1934 1 5 . 1 1 73 73 THR HA H 73 5.198 5.198 5.023 0.175 19479 1935 1 5 . 1 1 73 73 THR CA C 73 59.292 59.292 59.219 0.073 19479 1936 1 5 . 1 1 73 73 THR CB C 73 72.314 72.314 73.038 -0.724 19479 1937 1 5 . 1 1 73 73 THR H H 73 8.303 8.303 8.043 0.260 19479 1938 1 5 . 1 1 74 74 ILE N N 74 125.105 125.105 122.695 2.410 19479 1939 1 5 . 1 1 74 74 ILE HA H 74 3.061 3.061 3.272 -0.211 19479 1940 1 5 . 1 1 74 74 ILE CA C 74 66.019 66.019 63.804 2.215 19479 1941 1 5 . 1 1 74 74 ILE CB C 74 37.443 37.443 36.537 0.906 19479 1942 1 5 . 1 1 74 74 ILE H H 74 9.908 9.908 8.889 1.019 19479 1943 1 5 . 1 1 75 75 LYS N N 75 119.445 119.445 120.387 -0.942 19479 1944 1 5 . 1 1 75 75 LYS HA H 75 3.797 3.797 4.123 -0.326 19479 1945 1 5 . 1 1 75 75 LYS CA C 75 60.205 60.205 60.148 0.057 19479 1946 1 5 . 1 1 75 75 LYS CB C 75 33.098 33.098 32.090 1.008 19479 1947 1 5 . 1 1 75 75 LYS H H 75 9.024 9.024 7.576 1.448 19479 1948 1 5 . 1 1 76 76 ALA N N 76 119.581 119.581 121.874 -2.293 19479 1949 1 5 . 1 1 76 76 ALA HA H 76 4.216 4.216 4.097 0.119 19479 1950 1 5 . 1 1 76 76 ALA CA C 76 54.809 54.809 54.811 -0.002 19479 1951 1 5 . 1 1 76 76 ALA CB C 76 19.422 19.422 18.433 0.989 19479 1952 1 5 . 1 1 76 76 ALA H H 76 7.621 7.621 7.337 0.284 19479 1953 1 5 . 1 1 77 77 LEU N N 77 121.833 121.833 119.039 2.794 19479 1954 1 5 . 1 1 77 77 LEU HA H 77 4.097 4.097 3.972 0.125 19479 1955 1 5 . 1 1 77 77 LEU CA C 77 57.612 57.612 57.581 0.031 19479 1956 1 5 . 1 1 77 77 LEU CB C 77 42.192 42.192 41.389 0.803 19479 1957 1 5 . 1 1 77 77 LEU H H 77 8.915 8.915 8.114 0.801 19479 1958 1 5 . 1 1 78 78 ALA N N 78 120.481 120.481 122.354 -1.873 19479 1959 1 5 . 1 1 78 78 ALA HA H 78 3.751 3.751 3.850 -0.099 19479 1960 1 5 . 1 1 78 78 ALA CA C 78 55.117 55.117 55.563 -0.446 19479 1961 1 5 . 1 1 78 78 ALA CB C 78 19.603 19.603 18.235 1.368 19479 1962 1 5 . 1 1 78 78 ALA H H 78 9.393 9.393 8.630 0.763 19479 1963 1 5 . 1 1 79 79 GLN N N 79 117.799 117.799 117.566 0.233 19479 1964 1 5 . 1 1 79 79 GLN HA H 79 4.069 4.069 3.986 0.083 19479 1965 1 5 . 1 1 79 79 GLN CA C 79 58.790 58.790 58.505 0.285 19479 1966 1 5 . 1 1 79 79 GLN CB C 79 28.256 28.256 28.522 -0.266 19479 1967 1 5 . 1 1 79 79 GLN H H 79 7.179 7.179 8.041 -0.862 19479 1968 1 5 . 1 1 80 80 TYR N N 80 121.754 121.754 122.680 -0.926 19479 1969 1 5 . 1 1 80 80 TYR HA H 80 3.982 3.982 4.082 -0.100 19479 1970 1 5 . 1 1 80 80 TYR CA C 80 61.965 61.965 61.720 0.245 19479 1971 1 5 . 1 1 80 80 TYR CB C 80 38.227 38.227 38.659 -0.432 19479 1972 1 5 . 1 1 80 80 TYR H H 80 7.716 7.716 8.087 -0.371 19479 1973 1 5 . 1 1 81 81 VAL N N 81 117.864 117.864 119.078 -1.214 19479 1974 1 5 . 1 1 81 81 VAL HA H 81 3.264 3.264 3.536 -0.272 19479 1975 1 5 . 1 1 81 81 VAL CA C 81 66.719 66.719 66.007 0.712 19479 1976 1 5 . 1 1 81 81 VAL CB C 81 32.032 32.032 31.337 0.695 19479 1977 1 5 . 1 1 81 81 VAL H H 81 8.536 8.536 8.604 -0.068 19479 1978 1 5 . 1 1 82 82 ALA N N 82 121.044 121.044 122.798 -1.754 19479 1979 1 5 . 1 1 82 82 ALA HA H 82 3.931 3.931 4.104 -0.173 19479 1980 1 5 . 1 1 82 82 ALA CA C 82 55.130 55.130 55.413 -0.283 19479 1981 1 5 . 1 1 82 82 ALA CB C 82 18.588 18.588 18.168 0.420 19479 1982 1 5 . 1 1 82 82 ALA H H 82 8.420 8.420 8.434 -0.014 19479 1983 1 5 . 1 1 83 83 THR N N 83 109.020 109.020 111.585 -2.565 19479 1984 1 5 . 1 1 83 83 THR HA H 83 4.081 4.081 4.044 0.037 19479 1985 1 5 . 1 1 83 83 THR CA C 83 64.388 64.388 64.992 -0.604 19479 1986 1 5 . 1 1 83 83 THR CB C 83 69.529 69.529 68.764 0.765 19479 1987 1 5 . 1 1 83 83 THR H H 83 7.558 7.558 8.061 -0.503 19479 1988 1 5 . 1 1 84 84 ARG N N 84 119.856 119.856 118.497 1.359 19479 1989 1 5 . 1 1 84 84 ARG HA H 84 4.199 4.199 4.235 -0.036 19479 1990 1 5 . 1 1 84 84 ARG CA C 84 56.279 56.279 57.785 -1.506 19479 1991 1 5 . 1 1 84 84 ARG CB C 84 30.866 30.866 30.725 0.141 19479 1992 1 5 . 1 1 84 84 ARG H H 84 7.368 7.368 7.374 -0.006 19479 1993 1 5 . 1 1 85 85 SER N N 85 114.607 114.607 113.716 0.891 19479 1994 1 5 . 1 1 85 85 SER HA H 85 4.301 4.301 4.424 -0.123 19479 1995 1 5 . 1 1 85 85 SER CA C 85 58.927 58.927 61.070 -2.143 19479 1996 1 5 . 1 1 85 85 SER CB C 85 63.778 63.778 64.032 -0.255 19479 1997 1 5 . 1 1 85 85 SER H H 85 7.783 7.783 8.050 -0.267 19479 1998 1 5 . 1 1 86 86 HIS HA H 86 4.608 4.608 4.638 -0.030 19479 1999 1 5 . 1 1 86 86 HIS CA C 86 56.102 56.102 56.130 -0.028 19479 2000 1 5 . 1 1 86 86 HIS CB C 86 30.233 30.233 29.750 0.483 19479 2001 1 5 . 1 1 87 87 HIS N N 87 125.453 125.453 122.760 2.693 19479 2002 1 5 . 1 1 87 87 HIS HA H 87 4.421 4.421 4.576 -0.155 19479 2003 1 5 . 1 1 87 87 HIS CA C 87 57.381 57.381 54.958 2.423 19479 2004 1 5 . 1 1 87 87 HIS CB C 87 30.430 30.430 30.726 -0.296 19479 2005 1 5 . 1 1 87 87 HIS H H 87 8.102 8.102 8.331 -0.229 19479 2006 1 6 . 1 1 3 3 VAL HA H 3 4.160 4.160 4.103 0.057 19479 2007 1 6 . 1 1 3 3 VAL CA C 3 63.130 63.130 63.178 -0.048 19479 2008 1 6 . 1 1 3 3 VAL CB C 3 32.605 32.605 32.596 0.009 19479 2009 1 6 . 1 1 4 4 THR N N 4 117.074 117.074 118.218 -1.144 19479 2010 1 6 . 1 1 4 4 THR HA H 4 4.454 4.454 4.600 -0.146 19479 2011 1 6 . 1 1 4 4 THR CA C 4 61.454 61.454 61.146 0.308 19479 2012 1 6 . 1 1 4 4 THR CB C 4 70.203 70.203 69.873 0.330 19479 2013 1 6 . 1 1 4 4 THR H H 4 8.269 8.269 8.194 0.075 19479 2014 1 6 . 1 1 5 5 GLU N N 5 122.628 122.628 125.222 -2.594 19479 2015 1 6 . 1 1 5 5 GLU HA H 5 4.305 4.305 4.290 0.015 19479 2016 1 6 . 1 1 5 5 GLU CA C 5 56.689 56.689 57.045 -0.356 19479 2017 1 6 . 1 1 5 5 GLU CB C 5 30.297 30.297 29.889 0.408 19479 2018 1 6 . 1 1 5 5 GLU H H 5 8.465 8.465 8.704 -0.239 19479 2019 1 6 . 1 1 6 6 ALA N N 6 124.915 124.915 123.866 1.049 19479 2020 1 6 . 1 1 6 6 ALA HA H 6 4.301 4.301 4.261 0.040 19479 2021 1 6 . 1 1 6 6 ALA CA C 6 52.392 52.392 52.310 0.082 19479 2022 1 6 . 1 1 6 6 ALA CB C 6 19.520 19.520 19.082 0.438 19479 2023 1 6 . 1 1 6 6 ALA H H 6 8.333 8.333 7.767 0.566 19479 2024 1 6 . 1 1 7 7 GLN N N 7 120.476 120.476 122.873 -2.397 19479 2025 1 6 . 1 1 7 7 GLN HA H 7 4.275 4.275 4.213 0.062 19479 2026 1 6 . 1 1 7 7 GLN CA C 7 55.512 55.512 55.400 0.112 19479 2027 1 6 . 1 1 7 7 GLN CB C 7 29.495 29.495 29.410 0.085 19479 2028 1 6 . 1 1 7 7 GLN H H 7 8.340 8.340 8.229 0.111 19479 2029 1 6 . 1 1 8 8 TYR N N 8 124.499 124.499 126.150 -1.651 19479 2030 1 6 . 1 1 8 8 TYR HA H 8 4.386 4.386 4.339 0.047 19479 2031 1 6 . 1 1 8 8 TYR CA C 8 60.233 60.233 59.703 0.530 19479 2032 1 6 . 1 1 8 8 TYR CB C 8 38.173 38.173 38.906 -0.733 19479 2033 1 6 . 1 1 8 8 TYR H H 8 8.506 8.506 8.761 -0.255 19479 2034 1 6 . 1 1 9 9 VAL N N 9 130.011 130.011 129.019 0.992 19479 2035 1 6 . 1 1 9 9 VAL HA H 9 3.748 3.748 3.914 -0.166 19479 2036 1 6 . 1 1 9 9 VAL CA C 9 61.317 61.317 60.316 1.001 19479 2037 1 6 . 1 1 9 9 VAL CB C 9 34.738 34.738 34.422 0.316 19479 2038 1 6 . 1 1 9 9 VAL H H 9 6.756 6.756 7.452 -0.696 19479 2039 1 6 . 1 1 10 10 ALA N N 10 130.264 130.264 129.000 1.264 19479 2040 1 6 . 1 1 10 10 ALA HA H 10 4.172 4.172 4.118 0.054 19479 2041 1 6 . 1 1 10 10 ALA CA C 10 50.602 50.602 50.508 0.094 19479 2042 1 6 . 1 1 10 10 ALA CB C 10 17.676 17.676 18.259 -0.583 19479 2043 1 6 . 1 1 10 10 ALA H H 10 8.125 8.125 8.053 0.072 19479 2044 1 6 . 1 1 11 11 PRO HA H 11 4.186 4.186 4.297 -0.111 19479 2045 1 6 . 1 1 11 11 PRO CA C 11 63.808 63.808 63.031 0.777 19479 2046 1 6 . 1 1 11 11 PRO CB C 11 32.674 32.674 32.630 0.044 19479 2047 1 6 . 1 1 12 12 THR N N 12 113.591 113.591 111.198 2.393 19479 2048 1 6 . 1 1 12 12 THR HA H 12 4.469 4.469 4.430 0.039 19479 2049 1 6 . 1 1 12 12 THR CA C 12 61.950 61.950 61.569 0.381 19479 2050 1 6 . 1 1 12 12 THR CB C 12 71.622 71.622 71.058 0.564 19479 2051 1 6 . 1 1 12 12 THR H H 12 9.701 9.701 9.061 0.640 19479 2052 1 6 . 1 1 13 13 ASN N N 13 116.088 116.088 120.298 -4.210 19479 2053 1 6 . 1 1 13 13 ASN HA H 13 4.771 4.771 4.960 -0.189 19479 2054 1 6 . 1 1 13 13 ASN CA C 13 51.947 51.947 52.313 -0.366 19479 2055 1 6 . 1 1 13 13 ASN CB C 13 39.736 39.736 41.517 -1.781 19479 2056 1 6 . 1 1 13 13 ASN H H 13 7.423 7.423 8.195 -0.772 19479 2057 1 6 . 1 1 14 14 ALA HA H 14 4.136 4.136 4.091 0.045 19479 2058 1 6 . 1 1 14 14 ALA CA C 14 55.484 55.484 54.775 0.709 19479 2059 1 6 . 1 1 14 14 ALA CB C 14 19.020 19.020 18.535 0.485 19479 2060 1 6 . 1 1 15 15 VAL N N 15 120.332 120.332 118.085 2.247 19479 2061 1 6 . 1 1 15 15 VAL HA H 15 4.191 4.191 3.757 0.434 19479 2062 1 6 . 1 1 15 15 VAL CA C 15 65.158 65.158 65.516 -0.358 19479 2063 1 6 . 1 1 15 15 VAL CB C 15 31.513 31.513 31.642 -0.129 19479 2064 1 6 . 1 1 15 15 VAL H H 15 7.938 7.938 7.878 0.060 19479 2065 1 6 . 1 1 16 16 GLU N N 16 118.751 118.751 120.943 -2.192 19479 2066 1 6 . 1 1 16 16 GLU HA H 16 3.550 3.550 3.846 -0.296 19479 2067 1 6 . 1 1 16 16 GLU CA C 16 59.495 59.495 59.822 -0.327 19479 2068 1 6 . 1 1 16 16 GLU CB C 16 30.851 30.851 29.045 1.806 19479 2069 1 6 . 1 1 16 16 GLU H H 16 8.470 8.470 8.073 0.397 19479 2070 1 6 . 1 1 17 17 SER N N 17 112.637 112.637 113.807 -1.170 19479 2071 1 6 . 1 1 17 17 SER HA H 17 3.968 3.968 4.030 -0.062 19479 2072 1 6 . 1 1 17 17 SER CA C 17 62.523 62.523 61.609 0.914 19479 2073 1 6 . 1 1 17 17 SER CB C 17 62.669 62.669 62.998 -0.329 19479 2074 1 6 . 1 1 17 17 SER H H 17 8.386 8.386 8.386 0.000 19479 2075 1 6 . 1 1 18 18 LYS N N 18 124.394 124.394 121.073 3.321 19479 2076 1 6 . 1 1 18 18 LYS HA H 18 4.287 4.287 4.200 0.087 19479 2077 1 6 . 1 1 18 18 LYS CA C 18 57.421 57.421 58.301 -0.880 19479 2078 1 6 . 1 1 18 18 LYS CB C 18 30.018 30.018 32.662 -2.644 19479 2079 1 6 . 1 1 18 18 LYS H H 18 8.104 8.104 7.520 0.584 19479 2080 1 6 . 1 1 19 19 LEU N N 19 118.589 118.589 120.332 -1.743 19479 2081 1 6 . 1 1 19 19 LEU HA H 19 4.027 4.027 4.059 -0.032 19479 2082 1 6 . 1 1 19 19 LEU CA C 19 58.178 58.178 58.220 -0.042 19479 2083 1 6 . 1 1 19 19 LEU CB C 19 42.135 42.135 41.430 0.705 19479 2084 1 6 . 1 1 19 19 LEU H H 19 8.742 8.742 8.091 0.651 19479 2085 1 6 . 1 1 20 20 ALA N N 20 121.037 121.037 120.187 0.850 19479 2086 1 6 . 1 1 20 20 ALA HA H 20 3.775 3.775 3.620 0.155 19479 2087 1 6 . 1 1 20 20 ALA CA C 20 56.194 56.194 55.307 0.887 19479 2088 1 6 . 1 1 20 20 ALA CB C 20 16.862 16.862 17.953 -1.091 19479 2089 1 6 . 1 1 20 20 ALA H H 20 8.199 8.199 8.071 0.128 19479 2090 1 6 . 1 1 21 21 GLU N N 21 118.948 118.948 118.799 0.149 19479 2091 1 6 . 1 1 21 21 GLU HA H 21 4.129 4.129 4.306 -0.177 19479 2092 1 6 . 1 1 21 21 GLU CA C 21 59.788 59.788 59.121 0.667 19479 2093 1 6 . 1 1 21 21 GLU CB C 21 29.887 29.887 29.624 0.263 19479 2094 1 6 . 1 1 21 21 GLU H H 21 7.716 7.716 7.488 0.228 19479 2095 1 6 . 1 1 22 22 ILE N N 22 120.355 120.355 119.348 1.007 19479 2096 1 6 . 1 1 22 22 ILE HA H 22 3.780 3.780 3.989 -0.209 19479 2097 1 6 . 1 1 22 22 ILE CA C 22 65.850 65.850 62.819 3.031 19479 2098 1 6 . 1 1 22 22 ILE CB C 22 38.677 38.677 37.001 1.676 19479 2099 1 6 . 1 1 22 22 ILE H H 22 8.409 8.409 7.615 0.794 19479 2100 1 6 . 1 1 23 23 TRP N N 23 120.272 120.272 119.913 0.359 19479 2101 1 6 . 1 1 23 23 TRP HA H 23 4.191 4.191 4.356 -0.165 19479 2102 1 6 . 1 1 23 23 TRP CA C 23 61.819 61.819 60.526 1.293 19479 2103 1 6 . 1 1 23 23 TRP CB C 23 29.177 29.177 28.607 0.570 19479 2104 1 6 . 1 1 23 23 TRP H H 23 9.551 9.551 8.329 1.222 19479 2105 1 6 . 1 1 24 24 GLU N N 24 119.281 119.281 119.908 -0.627 19479 2106 1 6 . 1 1 24 24 GLU HA H 24 4.210 4.210 4.065 0.145 19479 2107 1 6 . 1 1 24 24 GLU CA C 24 60.695 60.695 59.781 0.914 19479 2108 1 6 . 1 1 24 24 GLU CB C 24 29.397 29.397 29.329 0.068 19479 2109 1 6 . 1 1 24 24 GLU H H 24 9.039 9.039 8.005 1.034 19479 2110 1 6 . 1 1 25 25 ARG N N 25 119.408 119.408 117.928 1.480 19479 2111 1 6 . 1 1 25 25 ARG HA H 25 4.205 4.205 4.099 0.106 19479 2112 1 6 . 1 1 25 25 ARG CA C 25 59.015 59.015 58.815 0.200 19479 2113 1 6 . 1 1 25 25 ARG CB C 25 30.246 30.246 30.138 0.108 19479 2114 1 6 . 1 1 25 25 ARG H H 25 8.060 8.060 7.743 0.317 19479 2115 1 6 . 1 1 26 26 VAL N N 26 119.220 119.220 117.571 1.649 19479 2116 1 6 . 1 1 26 26 VAL HA H 26 3.782 3.782 4.135 -0.353 19479 2117 1 6 . 1 1 26 26 VAL CA C 26 65.845 65.845 63.866 1.979 19479 2118 1 6 . 1 1 26 26 VAL CB C 26 32.717 32.717 32.833 -0.116 19479 2119 1 6 . 1 1 26 26 VAL H H 26 8.475 8.475 7.707 0.768 19479 2120 1 6 . 1 1 27 27 LEU N N 27 116.095 116.095 119.032 -2.937 19479 2121 1 6 . 1 1 27 27 LEU HA H 27 4.018 4.018 4.041 -0.023 19479 2122 1 6 . 1 1 27 27 LEU CA C 27 55.757 55.757 56.568 -0.811 19479 2123 1 6 . 1 1 27 27 LEU CB C 27 42.504 42.504 42.221 0.283 19479 2124 1 6 . 1 1 27 27 LEU H H 27 9.005 9.005 8.560 0.445 19479 2125 1 6 . 1 1 28 28 GLY N N 28 108.722 108.722 107.622 1.100 19479 2126 1 6 . 1 1 28 28 GLY CA C 28 46.721 46.721 45.384 1.337 19479 2127 1 6 . 1 1 28 28 GLY H H 28 8.056 8.056 8.245 -0.189 19479 2128 1 6 . 1 1 29 29 VAL N N 29 115.103 115.103 114.590 0.513 19479 2129 1 6 . 1 1 29 29 VAL HA H 29 4.457 4.457 4.726 -0.269 19479 2130 1 6 . 1 1 29 29 VAL CA C 29 59.845 59.845 59.525 0.320 19479 2131 1 6 . 1 1 29 29 VAL CB C 29 35.477 35.477 34.344 1.133 19479 2132 1 6 . 1 1 29 29 VAL H H 29 7.044 7.044 7.396 -0.352 19479 2133 1 6 . 1 1 30 30 SER N N 30 115.417 115.417 115.720 -0.303 19479 2134 1 6 . 1 1 30 30 SER HA H 30 4.683 4.683 4.848 -0.165 19479 2135 1 6 . 1 1 30 30 SER CA C 30 56.970 56.970 57.643 -0.673 19479 2136 1 6 . 1 1 30 30 SER CB C 30 65.294 65.294 63.845 1.449 19479 2137 1 6 . 1 1 30 30 SER H H 30 8.151 8.151 8.400 -0.249 19479 2138 1 6 . 1 1 31 31 GLY N N 31 112.008 112.008 112.958 -0.950 19479 2139 1 6 . 1 1 31 31 GLY CA C 31 46.545 46.545 44.993 1.552 19479 2140 1 6 . 1 1 31 31 GLY H H 31 8.573 8.573 8.911 -0.338 19479 2141 1 6 . 1 1 32 32 ILE N N 32 121.204 121.204 122.635 -1.431 19479 2142 1 6 . 1 1 32 32 ILE HA H 32 3.898 3.898 4.354 -0.456 19479 2143 1 6 . 1 1 32 32 ILE CA C 32 63.126 63.126 59.815 3.311 19479 2144 1 6 . 1 1 32 32 ILE CB C 32 38.993 38.993 37.470 1.523 19479 2145 1 6 . 1 1 32 32 ILE H H 32 8.241 8.241 7.910 0.331 19479 2146 1 6 . 1 1 33 33 GLY N N 33 115.038 115.038 113.933 1.105 19479 2147 1 6 . 1 1 33 33 GLY CA C 33 44.330 44.330 43.810 0.520 19479 2148 1 6 . 1 1 33 33 GLY H H 33 8.760 8.760 8.498 0.262 19479 2149 1 6 . 1 1 34 34 ILE N N 34 110.067 110.067 120.361 -10.294 19479 2150 1 6 . 1 1 34 34 ILE HA H 34 4.017 4.017 3.809 0.208 19479 2151 1 6 . 1 1 34 34 ILE CA C 34 64.500 64.500 64.147 0.353 19479 2152 1 6 . 1 1 34 34 ILE CB C 34 37.731 37.731 37.793 -0.062 19479 2153 1 6 . 1 1 34 34 ILE H H 34 8.566 8.566 8.583 -0.017 19479 2154 1 6 . 1 1 35 35 LEU N N 35 117.052 117.052 113.174 3.878 19479 2155 1 6 . 1 1 35 35 LEU HA H 35 4.692 4.692 4.580 0.112 19479 2156 1 6 . 1 1 35 35 LEU CA C 35 53.247 53.247 53.548 -0.301 19479 2157 1 6 . 1 1 35 35 LEU CB C 35 42.094 42.094 41.458 0.636 19479 2158 1 6 . 1 1 35 35 LEU H H 35 8.191 8.191 7.634 0.557 19479 2159 1 6 . 1 1 36 36 ASP N N 36 121.535 121.535 122.539 -1.004 19479 2160 1 6 . 1 1 36 36 ASP HA H 36 4.387 4.387 4.586 -0.199 19479 2161 1 6 . 1 1 36 36 ASP CA C 36 55.244 55.244 54.538 0.706 19479 2162 1 6 . 1 1 36 36 ASP CB C 36 41.170 41.170 42.168 -0.998 19479 2163 1 6 . 1 1 36 36 ASP H H 36 7.098 7.098 7.490 -0.392 19479 2164 1 6 . 1 1 37 37 ASN N N 37 123.266 123.266 125.316 -2.050 19479 2165 1 6 . 1 1 37 37 ASN HA H 37 4.954 4.954 5.014 -0.060 19479 2166 1 6 . 1 1 37 37 ASN CA C 37 53.319 53.319 53.340 -0.021 19479 2167 1 6 . 1 1 37 37 ASN CB C 37 39.610 39.610 38.857 0.753 19479 2168 1 6 . 1 1 37 37 ASN H H 37 9.116 9.116 8.604 0.512 19479 2169 1 6 . 1 1 38 38 PHE N N 38 126.469 126.469 128.668 -2.199 19479 2170 1 6 . 1 1 38 38 PHE HA H 38 3.393 3.393 3.821 -0.428 19479 2171 1 6 . 1 1 38 38 PHE CA C 38 61.965 61.965 61.911 0.054 19479 2172 1 6 . 1 1 38 38 PHE CB C 38 40.851 40.851 38.641 2.210 19479 2173 1 6 . 1 1 38 38 PHE H H 38 9.344 9.344 8.671 0.673 19479 2174 1 6 . 1 1 39 39 PHE N N 39 112.189 112.189 114.872 -2.683 19479 2175 1 6 . 1 1 39 39 PHE HA H 39 3.933 3.933 4.545 -0.612 19479 2176 1 6 . 1 1 39 39 PHE CA C 39 59.682 59.682 59.929 -0.247 19479 2177 1 6 . 1 1 39 39 PHE CB C 39 38.040 38.040 38.364 -0.324 19479 2178 1 6 . 1 1 39 39 PHE H H 39 8.052 8.052 8.320 -0.268 19479 2179 1 6 . 1 1 40 40 GLN N N 40 119.928 119.928 120.127 -0.199 19479 2180 1 6 . 1 1 40 40 GLN HA H 40 4.392 4.392 4.199 0.193 19479 2181 1 6 . 1 1 40 40 GLN CA C 40 57.191 57.191 57.840 -0.649 19479 2182 1 6 . 1 1 40 40 GLN CB C 40 29.466 29.466 28.591 0.875 19479 2183 1 6 . 1 1 40 40 GLN H H 40 8.297 8.297 8.338 -0.041 19479 2184 1 6 . 1 1 41 41 ILE N N 41 110.997 110.997 118.165 -7.168 19479 2185 1 6 . 1 1 41 41 ILE HA H 41 4.493 4.493 3.934 0.559 19479 2186 1 6 . 1 1 41 41 ILE CA C 41 61.348 61.348 61.283 0.065 19479 2187 1 6 . 1 1 41 41 ILE CB C 41 37.882 37.882 36.075 1.807 19479 2188 1 6 . 1 1 41 41 ILE H H 41 7.133 7.133 7.504 -0.371 19479 2189 1 6 . 1 1 42 42 GLY N N 42 106.355 106.355 107.417 -1.062 19479 2190 1 6 . 1 1 42 42 GLY CA C 42 44.679 44.679 45.413 -0.734 19479 2191 1 6 . 1 1 42 42 GLY H H 42 7.433 7.433 7.676 -0.243 19479 2192 1 6 . 1 1 43 43 GLY N N 43 107.808 107.808 108.096 -0.288 19479 2193 1 6 . 1 1 43 43 GLY CA C 43 45.389 45.389 44.250 1.139 19479 2194 1 6 . 1 1 43 43 GLY H H 43 7.826 7.826 7.373 0.453 19479 2195 1 6 . 1 1 44 44 HIS N N 44 112.337 112.337 117.220 -4.883 19479 2196 1 6 . 1 1 44 44 HIS HA H 44 4.979 4.979 5.028 -0.049 19479 2197 1 6 . 1 1 44 44 HIS CA C 44 54.773 54.773 54.715 0.058 19479 2198 1 6 . 1 1 44 44 HIS CB C 44 31.867 31.867 31.152 0.715 19479 2199 1 6 . 1 1 44 44 HIS H H 44 6.369 6.369 7.851 -1.482 19479 2200 1 6 . 1 1 45 45 ALA HA H 45 4.264 4.264 4.301 -0.037 19479 2201 1 6 . 1 1 45 45 ALA CA C 45 57.581 57.581 55.226 2.355 19479 2202 1 6 . 1 1 45 45 ALA CB C 45 18.718 18.718 18.303 0.415 19479 2203 1 6 . 1 1 46 46 LEU N N 46 117.791 117.791 118.019 -0.228 19479 2204 1 6 . 1 1 46 46 LEU HA H 46 4.420 4.420 4.117 0.303 19479 2205 1 6 . 1 1 46 46 LEU CA C 46 58.559 58.559 57.640 0.919 19479 2206 1 6 . 1 1 46 46 LEU CB C 46 41.652 41.652 42.220 -0.568 19479 2207 1 6 . 1 1 46 46 LEU H H 46 8.807 8.807 7.916 0.891 19479 2208 1 6 . 1 1 47 47 LYS N N 47 118.822 118.822 118.432 0.390 19479 2209 1 6 . 1 1 47 47 LYS HA H 47 4.200 4.200 3.840 0.360 19479 2210 1 6 . 1 1 47 47 LYS CA C 47 58.352 58.352 58.672 -0.320 19479 2211 1 6 . 1 1 47 47 LYS CB C 47 32.994 32.994 31.407 1.587 19479 2212 1 6 . 1 1 47 47 LYS H H 47 7.589 7.589 7.305 0.284 19479 2213 1 6 . 1 1 48 48 ALA N N 48 122.769 122.769 121.514 1.255 19479 2214 1 6 . 1 1 48 48 ALA HA H 48 3.575 3.575 3.601 -0.026 19479 2215 1 6 . 1 1 48 48 ALA CA C 48 55.102 55.102 55.024 0.078 19479 2216 1 6 . 1 1 48 48 ALA CB C 48 18.239 18.239 18.010 0.229 19479 2217 1 6 . 1 1 48 48 ALA H H 48 8.736 8.736 8.180 0.556 19479 2218 1 6 . 1 1 49 49 MET N N 49 116.936 116.936 117.402 -0.466 19479 2219 1 6 . 1 1 49 49 MET HA H 49 4.169 4.169 4.177 -0.008 19479 2220 1 6 . 1 1 49 49 MET CA C 49 58.869 58.869 57.742 1.127 19479 2221 1 6 . 1 1 49 49 MET CB C 49 32.511 32.511 32.079 0.432 19479 2222 1 6 . 1 1 49 49 MET H H 49 8.000 8.000 7.633 0.367 19479 2223 1 6 . 1 1 50 50 ALA N N 50 123.686 123.686 122.451 1.235 19479 2224 1 6 . 1 1 50 50 ALA HA H 50 4.401 4.401 4.104 0.297 19479 2225 1 6 . 1 1 50 50 ALA CA C 50 55.265 55.265 55.139 0.126 19479 2226 1 6 . 1 1 50 50 ALA CB C 50 18.320 18.320 18.043 0.277 19479 2227 1 6 . 1 1 50 50 ALA H H 50 7.389 7.389 7.842 -0.453 19479 2228 1 6 . 1 1 51 51 VAL N N 51 118.885 118.885 118.376 0.509 19479 2229 1 6 . 1 1 51 51 VAL HA H 51 3.437 3.437 3.652 -0.215 19479 2230 1 6 . 1 1 51 51 VAL CA C 51 66.975 66.975 66.053 0.922 19479 2231 1 6 . 1 1 51 51 VAL CB C 51 31.268 31.268 31.598 -0.330 19479 2232 1 6 . 1 1 51 51 VAL H H 51 7.981 7.981 7.893 0.088 19479 2233 1 6 . 1 1 52 52 ALA N N 52 121.555 121.555 122.674 -1.119 19479 2234 1 6 . 1 1 52 52 ALA HA H 52 3.990 3.990 3.899 0.091 19479 2235 1 6 . 1 1 52 52 ALA CA C 52 56.056 56.056 55.153 0.903 19479 2236 1 6 . 1 1 52 52 ALA CB C 52 18.099 18.099 18.024 0.075 19479 2237 1 6 . 1 1 52 52 ALA H H 52 8.499 8.499 7.942 0.557 19479 2238 1 6 . 1 1 53 53 ALA N N 53 121.958 121.958 120.474 1.484 19479 2239 1 6 . 1 1 53 53 ALA HA H 53 4.346 4.346 3.950 0.396 19479 2240 1 6 . 1 1 53 53 ALA CA C 53 55.454 55.454 54.985 0.469 19479 2241 1 6 . 1 1 53 53 ALA CB C 53 18.079 18.079 18.293 -0.214 19479 2242 1 6 . 1 1 53 53 ALA H H 53 8.238 8.238 8.058 0.180 19479 2243 1 6 . 1 1 54 54 GLN N N 54 118.520 118.520 118.251 0.269 19479 2244 1 6 . 1 1 54 54 GLN HA H 54 4.157 4.157 4.152 0.005 19479 2245 1 6 . 1 1 54 54 GLN CA C 54 59.303 59.303 58.736 0.567 19479 2246 1 6 . 1 1 54 54 GLN CB C 54 28.684 28.684 28.555 0.129 19479 2247 1 6 . 1 1 54 54 GLN H H 54 7.914 7.914 7.721 0.193 19479 2248 1 6 . 1 1 55 55 VAL N N 55 121.643 121.643 120.822 0.821 19479 2249 1 6 . 1 1 55 55 VAL HA H 55 3.673 3.673 3.978 -0.305 19479 2250 1 6 . 1 1 55 55 VAL CA C 55 67.521 67.521 66.894 0.627 19479 2251 1 6 . 1 1 55 55 VAL CB C 55 31.569 31.569 31.278 0.291 19479 2252 1 6 . 1 1 55 55 VAL H H 55 8.915 8.915 8.659 0.256 19479 2253 1 6 . 1 1 56 56 HIS N N 56 120.993 120.993 119.220 1.773 19479 2254 1 6 . 1 1 56 56 HIS HA H 56 4.314 4.314 4.690 -0.376 19479 2255 1 6 . 1 1 56 56 HIS CA C 56 60.994 60.994 58.972 2.022 19479 2256 1 6 . 1 1 56 56 HIS CB C 56 30.226 30.226 29.925 0.301 19479 2257 1 6 . 1 1 56 56 HIS H H 56 8.328 8.328 8.359 -0.031 19479 2258 1 6 . 1 1 57 57 ARG N N 57 119.241 119.241 118.017 1.224 19479 2259 1 6 . 1 1 57 57 ARG HA H 57 3.963 3.963 4.218 -0.255 19479 2260 1 6 . 1 1 57 57 ARG CA C 57 59.269 59.269 58.572 0.697 19479 2261 1 6 . 1 1 57 57 ARG CB C 57 30.220 30.220 29.940 0.280 19479 2262 1 6 . 1 1 57 57 ARG H H 57 7.849 7.849 7.820 0.029 19479 2263 1 6 . 1 1 58 58 GLU N N 58 116.079 116.079 118.879 -2.800 19479 2264 1 6 . 1 1 58 58 GLU HA H 58 3.944 3.944 4.194 -0.250 19479 2265 1 6 . 1 1 58 58 GLU CA C 58 58.351 58.351 58.509 -0.158 19479 2266 1 6 . 1 1 58 58 GLU CB C 58 30.571 30.571 30.619 -0.048 19479 2267 1 6 . 1 1 58 58 GLU H H 58 7.874 7.874 8.246 -0.372 19479 2268 1 6 . 1 1 59 59 TYR N N 59 112.274 112.274 116.700 -4.426 19479 2269 1 6 . 1 1 59 59 TYR HA H 59 4.686 4.686 4.563 0.123 19479 2270 1 6 . 1 1 59 59 TYR CA C 59 58.616 58.616 58.184 0.432 19479 2271 1 6 . 1 1 59 59 TYR CB C 59 40.589 40.589 38.241 2.348 19479 2272 1 6 . 1 1 59 59 TYR H H 59 8.303 8.303 8.284 0.019 19479 2273 1 6 . 1 1 60 60 GLN N N 60 115.629 115.629 115.546 0.083 19479 2274 1 6 . 1 1 60 60 GLN HA H 60 3.481 3.481 4.277 -0.796 19479 2275 1 6 . 1 1 60 60 GLN CA C 60 57.418 57.418 56.681 0.737 19479 2276 1 6 . 1 1 60 60 GLN CB C 60 25.628 25.628 26.941 -1.313 19479 2277 1 6 . 1 1 60 60 GLN H H 60 8.382 8.382 7.883 0.499 19479 2278 1 6 . 1 1 61 61 VAL N N 61 114.547 114.547 116.868 -2.321 19479 2279 1 6 . 1 1 61 61 VAL HA H 61 4.347 4.347 4.150 0.197 19479 2280 1 6 . 1 1 61 61 VAL CA C 61 60.118 60.118 60.301 -0.183 19479 2281 1 6 . 1 1 61 61 VAL CB C 61 35.547 35.547 35.035 0.512 19479 2282 1 6 . 1 1 61 61 VAL H H 61 6.532 6.532 7.939 -1.407 19479 2283 1 6 . 1 1 62 62 GLU N N 62 125.938 125.938 128.671 -2.733 19479 2284 1 6 . 1 1 62 62 GLU HA H 62 4.270 4.270 3.433 0.837 19479 2285 1 6 . 1 1 62 62 GLU CA C 62 55.857 55.857 56.911 -1.054 19479 2286 1 6 . 1 1 62 62 GLU CB C 62 30.334 30.334 29.993 0.341 19479 2287 1 6 . 1 1 62 62 GLU H H 62 8.741 8.741 8.305 0.436 19479 2288 1 6 . 1 1 63 63 LEU N N 63 127.837 127.837 128.775 -0.938 19479 2289 1 6 . 1 1 63 63 LEU HA H 63 4.845 4.845 4.826 0.019 19479 2290 1 6 . 1 1 63 63 LEU CA C 63 50.751 50.751 50.609 0.141 19479 2291 1 6 . 1 1 63 63 LEU CB C 63 43.313 43.313 43.003 0.310 19479 2292 1 6 . 1 1 63 63 LEU H H 63 8.939 8.939 8.224 0.715 19479 2293 1 6 . 1 1 64 64 PRO HA H 64 4.446 4.446 4.511 -0.065 19479 2294 1 6 . 1 1 64 64 PRO CA C 64 62.060 62.060 61.801 0.259 19479 2295 1 6 . 1 1 64 64 PRO CB C 64 32.346 32.346 33.050 -0.704 19479 2296 1 6 . 1 1 65 65 LEU N N 65 126.325 126.325 122.970 3.355 19479 2297 1 6 . 1 1 65 65 LEU HA H 65 3.772 3.772 3.903 -0.131 19479 2298 1 6 . 1 1 65 65 LEU CA C 65 58.426 58.426 57.704 0.722 19479 2299 1 6 . 1 1 65 65 LEU CB C 65 40.688 40.688 42.102 -1.414 19479 2300 1 6 . 1 1 65 65 LEU H H 65 8.746 8.746 8.917 -0.171 19479 2301 1 6 . 1 1 66 66 LYS N N 66 114.157 114.157 118.677 -4.520 19479 2302 1 6 . 1 1 66 66 LYS HA H 66 3.999 3.999 3.971 0.028 19479 2303 1 6 . 1 1 66 66 LYS CA C 66 59.383 59.383 59.584 -0.201 19479 2304 1 6 . 1 1 66 66 LYS CB C 66 32.166 32.166 31.783 0.383 19479 2305 1 6 . 1 1 66 66 LYS H H 66 8.551 8.551 8.068 0.483 19479 2306 1 6 . 1 1 67 67 VAL N N 67 119.827 119.827 119.254 0.573 19479 2307 1 6 . 1 1 67 67 VAL HA H 67 3.611 3.611 3.467 0.144 19479 2308 1 6 . 1 1 67 67 VAL CA C 67 65.655 65.655 65.864 -0.209 19479 2309 1 6 . 1 1 67 67 VAL CB C 67 31.425 31.425 31.205 0.220 19479 2310 1 6 . 1 1 67 67 VAL H H 67 7.190 7.190 7.505 -0.315 19479 2311 1 6 . 1 1 68 68 LEU N N 68 120.867 120.867 121.405 -0.538 19479 2312 1 6 . 1 1 68 68 LEU HA H 68 3.922 3.922 3.863 0.059 19479 2313 1 6 . 1 1 68 68 LEU CA C 68 58.322 58.322 57.784 0.538 19479 2314 1 6 . 1 1 68 68 LEU CB C 68 41.911 41.911 41.171 0.740 19479 2315 1 6 . 1 1 68 68 LEU H H 68 6.936 6.936 7.205 -0.269 19479 2316 1 6 . 1 1 69 69 PHE N N 69 112.682 112.682 116.772 -4.090 19479 2317 1 6 . 1 1 69 69 PHE HA H 69 4.265 4.265 4.606 -0.341 19479 2318 1 6 . 1 1 69 69 PHE CA C 69 60.265 60.265 59.391 0.875 19479 2319 1 6 . 1 1 69 69 PHE CB C 69 38.725 38.725 38.457 0.268 19479 2320 1 6 . 1 1 69 69 PHE H H 69 8.201 8.201 8.385 -0.184 19479 2321 1 6 . 1 1 70 70 ALA N N 70 118.803 118.803 121.333 -2.530 19479 2322 1 6 . 1 1 70 70 ALA HA H 70 4.302 4.302 3.822 0.480 19479 2323 1 6 . 1 1 70 70 ALA CA C 70 54.025 54.025 53.238 0.787 19479 2324 1 6 . 1 1 70 70 ALA CB C 70 19.656 19.656 19.089 0.567 19479 2325 1 6 . 1 1 70 70 ALA H H 70 7.448 7.448 7.022 0.426 19479 2326 1 6 . 1 1 71 71 GLN N N 71 116.280 116.280 115.330 0.950 19479 2327 1 6 . 1 1 71 71 GLN HA H 71 4.848 4.848 4.747 0.101 19479 2328 1 6 . 1 1 71 71 GLN CA C 71 53.120 53.120 52.387 0.733 19479 2329 1 6 . 1 1 71 71 GLN CB C 71 29.026 29.026 29.917 -0.891 19479 2330 1 6 . 1 1 71 71 GLN H H 71 7.561 7.561 7.745 -0.184 19479 2331 1 6 . 1 1 72 72 PRO HA H 72 4.989 4.989 4.573 0.416 19479 2332 1 6 . 1 1 72 72 PRO CA C 72 64.307 64.307 63.288 1.019 19479 2333 1 6 . 1 1 72 72 PRO CB C 72 30.240 30.240 30.509 -0.269 19479 2334 1 6 . 1 1 73 73 THR N N 73 109.972 109.972 111.978 -2.006 19479 2335 1 6 . 1 1 73 73 THR HA H 73 5.198 5.198 5.223 -0.025 19479 2336 1 6 . 1 1 73 73 THR CA C 73 59.292 59.292 59.693 -0.401 19479 2337 1 6 . 1 1 73 73 THR CB C 73 72.314 72.314 73.035 -0.721 19479 2338 1 6 . 1 1 73 73 THR H H 73 8.303 8.303 8.224 0.079 19479 2339 1 6 . 1 1 74 74 ILE N N 74 125.105 125.105 123.857 1.248 19479 2340 1 6 . 1 1 74 74 ILE HA H 74 3.061 3.061 3.438 -0.377 19479 2341 1 6 . 1 1 74 74 ILE CA C 74 66.019 66.019 64.176 1.843 19479 2342 1 6 . 1 1 74 74 ILE CB C 74 37.443 37.443 36.817 0.626 19479 2343 1 6 . 1 1 74 74 ILE H H 74 9.908 9.908 9.067 0.841 19479 2344 1 6 . 1 1 75 75 LYS N N 75 119.445 119.445 121.165 -1.720 19479 2345 1 6 . 1 1 75 75 LYS HA H 75 3.797 3.797 3.843 -0.046 19479 2346 1 6 . 1 1 75 75 LYS CA C 75 60.205 60.205 60.345 -0.140 19479 2347 1 6 . 1 1 75 75 LYS CB C 75 33.098 33.098 32.089 1.009 19479 2348 1 6 . 1 1 75 75 LYS H H 75 9.024 9.024 7.828 1.196 19479 2349 1 6 . 1 1 76 76 ALA N N 76 119.581 119.581 121.606 -2.025 19479 2350 1 6 . 1 1 76 76 ALA HA H 76 4.216 4.216 4.328 -0.112 19479 2351 1 6 . 1 1 76 76 ALA CA C 76 54.809 54.809 54.821 -0.012 19479 2352 1 6 . 1 1 76 76 ALA CB C 76 19.422 19.422 18.188 1.234 19479 2353 1 6 . 1 1 76 76 ALA H H 76 7.621 7.621 8.263 -0.642 19479 2354 1 6 . 1 1 77 77 LEU N N 77 121.833 121.833 118.900 2.933 19479 2355 1 6 . 1 1 77 77 LEU HA H 77 4.097 4.097 3.968 0.129 19479 2356 1 6 . 1 1 77 77 LEU CA C 77 57.612 57.612 57.531 0.081 19479 2357 1 6 . 1 1 77 77 LEU CB C 77 42.192 42.192 41.376 0.816 19479 2358 1 6 . 1 1 77 77 LEU H H 77 8.915 8.915 7.954 0.961 19479 2359 1 6 . 1 1 78 78 ALA N N 78 120.481 120.481 122.129 -1.648 19479 2360 1 6 . 1 1 78 78 ALA HA H 78 3.751 3.751 3.871 -0.120 19479 2361 1 6 . 1 1 78 78 ALA CA C 78 55.117 55.117 55.543 -0.426 19479 2362 1 6 . 1 1 78 78 ALA CB C 78 19.603 19.603 18.072 1.531 19479 2363 1 6 . 1 1 78 78 ALA H H 78 9.393 9.393 8.733 0.660 19479 2364 1 6 . 1 1 79 79 GLN N N 79 117.799 117.799 117.295 0.504 19479 2365 1 6 . 1 1 79 79 GLN HA H 79 4.069 4.069 4.059 0.010 19479 2366 1 6 . 1 1 79 79 GLN CA C 79 58.790 58.790 58.391 0.400 19479 2367 1 6 . 1 1 79 79 GLN CB C 79 28.256 28.256 28.634 -0.378 19479 2368 1 6 . 1 1 79 79 GLN H H 79 7.179 7.179 8.201 -1.022 19479 2369 1 6 . 1 1 80 80 TYR N N 80 121.754 121.754 122.557 -0.803 19479 2370 1 6 . 1 1 80 80 TYR HA H 80 3.982 3.982 4.125 -0.143 19479 2371 1 6 . 1 1 80 80 TYR CA C 80 61.965 61.965 61.566 0.400 19479 2372 1 6 . 1 1 80 80 TYR CB C 80 38.227 38.227 38.859 -0.632 19479 2373 1 6 . 1 1 80 80 TYR H H 80 7.716 7.716 7.935 -0.219 19479 2374 1 6 . 1 1 81 81 VAL N N 81 117.864 117.864 118.939 -1.075 19479 2375 1 6 . 1 1 81 81 VAL HA H 81 3.264 3.264 3.402 -0.138 19479 2376 1 6 . 1 1 81 81 VAL CA C 81 66.719 66.719 66.360 0.359 19479 2377 1 6 . 1 1 81 81 VAL CB C 81 32.032 32.032 31.639 0.393 19479 2378 1 6 . 1 1 81 81 VAL H H 81 8.536 8.536 8.803 -0.267 19479 2379 1 6 . 1 1 82 82 ALA N N 82 121.044 121.044 121.944 -0.900 19479 2380 1 6 . 1 1 82 82 ALA HA H 82 3.931 3.931 4.136 -0.205 19479 2381 1 6 . 1 1 82 82 ALA CA C 82 55.130 55.130 55.092 0.038 19479 2382 1 6 . 1 1 82 82 ALA CB C 82 18.588 18.588 18.504 0.084 19479 2383 1 6 . 1 1 82 82 ALA H H 82 8.420 8.420 8.257 0.163 19479 2384 1 6 . 1 1 83 83 THR N N 83 109.020 109.020 112.005 -2.985 19479 2385 1 6 . 1 1 83 83 THR HA H 83 4.081 4.081 4.147 -0.066 19479 2386 1 6 . 1 1 83 83 THR CA C 83 64.388 64.388 65.331 -0.943 19479 2387 1 6 . 1 1 83 83 THR CB C 83 69.529 69.529 68.764 0.765 19479 2388 1 6 . 1 1 83 83 THR H H 83 7.558 7.558 7.632 -0.074 19479 2389 1 6 . 1 1 84 84 ARG N N 84 119.856 119.856 120.938 -1.082 19479 2390 1 6 . 1 1 84 84 ARG HA H 84 4.199 4.199 4.182 0.017 19479 2391 1 6 . 1 1 84 84 ARG CA C 84 56.279 56.279 59.024 -2.745 19479 2392 1 6 . 1 1 84 84 ARG CB C 84 30.866 30.866 30.334 0.532 19479 2393 1 6 . 1 1 84 84 ARG H H 84 7.368 7.368 7.491 -0.123 19479 2394 1 6 . 1 1 85 85 SER N N 85 114.607 114.607 113.996 0.611 19479 2395 1 6 . 1 1 85 85 SER HA H 85 4.301 4.301 4.292 0.009 19479 2396 1 6 . 1 1 85 85 SER CA C 85 58.927 58.927 57.382 1.545 19479 2397 1 6 . 1 1 85 85 SER CB C 85 63.778 63.778 62.172 1.606 19479 2398 1 6 . 1 1 85 85 SER H H 85 7.783 7.783 8.199 -0.416 19479 2399 1 6 . 1 1 86 86 HIS HA H 86 4.608 4.608 4.590 0.018 19479 2400 1 6 . 1 1 86 86 HIS CA C 86 56.102 56.102 56.291 -0.189 19479 2401 1 6 . 1 1 86 86 HIS CB C 86 30.233 30.233 30.384 -0.151 19479 2402 1 6 . 1 1 87 87 HIS N N 87 125.453 125.453 120.994 4.459 19479 2403 1 6 . 1 1 87 87 HIS HA H 87 4.421 4.421 4.594 -0.173 19479 2404 1 6 . 1 1 87 87 HIS CA C 87 57.381 57.381 55.893 1.488 19479 2405 1 6 . 1 1 87 87 HIS CB C 87 30.430 30.430 31.179 -0.749 19479 2406 1 6 . 1 1 87 87 HIS H H 87 8.102 8.102 8.573 -0.471 19479 2407 1 7 . 1 1 3 3 VAL HA H 3 4.160 4.160 4.507 -0.347 19479 2408 1 7 . 1 1 3 3 VAL CA C 3 63.130 63.130 60.891 2.239 19479 2409 1 7 . 1 1 3 3 VAL CB C 3 32.605 32.605 34.250 -1.645 19479 2410 1 7 . 1 1 4 4 THR N N 4 117.074 117.074 119.952 -2.878 19479 2411 1 7 . 1 1 4 4 THR HA H 4 4.454 4.454 4.279 0.175 19479 2412 1 7 . 1 1 4 4 THR CA C 4 61.454 61.454 63.079 -1.625 19479 2413 1 7 . 1 1 4 4 THR CB C 4 70.203 70.203 69.361 0.842 19479 2414 1 7 . 1 1 4 4 THR H H 4 8.269 8.269 8.177 0.092 19479 2415 1 7 . 1 1 5 5 GLU N N 5 122.628 122.628 119.377 3.251 19479 2416 1 7 . 1 1 5 5 GLU HA H 5 4.305 4.305 3.949 0.356 19479 2417 1 7 . 1 1 5 5 GLU CA C 5 56.689 56.689 56.733 -0.044 19479 2418 1 7 . 1 1 5 5 GLU CB C 5 30.297 30.297 29.368 0.929 19479 2419 1 7 . 1 1 5 5 GLU H H 5 8.465 8.465 8.791 -0.326 19479 2420 1 7 . 1 1 6 6 ALA N N 6 124.915 124.915 121.590 3.325 19479 2421 1 7 . 1 1 6 6 ALA HA H 6 4.301 4.301 4.127 0.174 19479 2422 1 7 . 1 1 6 6 ALA CA C 6 52.392 52.392 53.095 -0.703 19479 2423 1 7 . 1 1 6 6 ALA CB C 6 19.520 19.520 19.461 0.059 19479 2424 1 7 . 1 1 6 6 ALA H H 6 8.333 8.333 7.280 1.053 19479 2425 1 7 . 1 1 7 7 GLN N N 7 120.476 120.476 122.646 -2.170 19479 2426 1 7 . 1 1 7 7 GLN HA H 7 4.275 4.275 4.307 -0.032 19479 2427 1 7 . 1 1 7 7 GLN CA C 7 55.512 55.512 55.848 -0.336 19479 2428 1 7 . 1 1 7 7 GLN CB C 7 29.495 29.495 29.611 -0.116 19479 2429 1 7 . 1 1 7 7 GLN H H 7 8.340 8.340 8.186 0.154 19479 2430 1 7 . 1 1 8 8 TYR N N 8 124.499 124.499 121.466 3.033 19479 2431 1 7 . 1 1 8 8 TYR HA H 8 4.386 4.386 4.276 0.110 19479 2432 1 7 . 1 1 8 8 TYR CA C 8 60.233 60.233 59.460 0.773 19479 2433 1 7 . 1 1 8 8 TYR CB C 8 38.173 38.173 38.747 -0.574 19479 2434 1 7 . 1 1 8 8 TYR H H 8 8.506 8.506 8.409 0.097 19479 2435 1 7 . 1 1 9 9 VAL N N 9 130.011 130.011 128.755 1.256 19479 2436 1 7 . 1 1 9 9 VAL HA H 9 3.748 3.748 3.836 -0.088 19479 2437 1 7 . 1 1 9 9 VAL CA C 9 61.317 61.317 60.503 0.814 19479 2438 1 7 . 1 1 9 9 VAL CB C 9 34.738 34.738 34.937 -0.199 19479 2439 1 7 . 1 1 9 9 VAL H H 9 6.756 6.756 8.196 -1.440 19479 2440 1 7 . 1 1 10 10 ALA N N 10 130.264 130.264 128.413 1.851 19479 2441 1 7 . 1 1 10 10 ALA HA H 10 4.172 4.172 4.241 -0.069 19479 2442 1 7 . 1 1 10 10 ALA CA C 10 50.602 50.602 50.498 0.104 19479 2443 1 7 . 1 1 10 10 ALA CB C 10 17.676 17.676 18.302 -0.626 19479 2444 1 7 . 1 1 10 10 ALA H H 10 8.125 8.125 7.950 0.175 19479 2445 1 7 . 1 1 11 11 PRO HA H 11 4.186 4.186 4.200 -0.014 19479 2446 1 7 . 1 1 11 11 PRO CA C 11 63.808 63.808 63.120 0.688 19479 2447 1 7 . 1 1 11 11 PRO CB C 11 32.674 32.674 32.461 0.213 19479 2448 1 7 . 1 1 12 12 THR N N 12 113.591 113.591 110.207 3.384 19479 2449 1 7 . 1 1 12 12 THR HA H 12 4.469 4.469 4.348 0.121 19479 2450 1 7 . 1 1 12 12 THR CA C 12 61.950 61.950 61.248 0.702 19479 2451 1 7 . 1 1 12 12 THR CB C 12 71.622 71.622 69.881 1.741 19479 2452 1 7 . 1 1 12 12 THR H H 12 9.701 9.701 8.924 0.777 19479 2453 1 7 . 1 1 13 13 ASN N N 13 116.088 116.088 120.537 -4.449 19479 2454 1 7 . 1 1 13 13 ASN HA H 13 4.771 4.771 4.837 -0.066 19479 2455 1 7 . 1 1 13 13 ASN CA C 13 51.947 51.947 51.659 0.288 19479 2456 1 7 . 1 1 13 13 ASN CB C 13 39.736 39.736 40.594 -0.858 19479 2457 1 7 . 1 1 13 13 ASN H H 13 7.423 7.423 8.023 -0.600 19479 2458 1 7 . 1 1 14 14 ALA HA H 14 4.136 4.136 4.036 0.100 19479 2459 1 7 . 1 1 14 14 ALA CA C 14 55.484 55.484 54.859 0.625 19479 2460 1 7 . 1 1 14 14 ALA CB C 14 19.020 19.020 18.436 0.584 19479 2461 1 7 . 1 1 15 15 VAL N N 15 120.332 120.332 118.701 1.631 19479 2462 1 7 . 1 1 15 15 VAL HA H 15 4.191 4.191 3.787 0.404 19479 2463 1 7 . 1 1 15 15 VAL CA C 15 65.158 65.158 65.917 -0.759 19479 2464 1 7 . 1 1 15 15 VAL CB C 15 31.513 31.513 31.761 -0.248 19479 2465 1 7 . 1 1 15 15 VAL H H 15 7.938 7.938 7.956 -0.018 19479 2466 1 7 . 1 1 16 16 GLU N N 16 118.751 118.751 120.499 -1.748 19479 2467 1 7 . 1 1 16 16 GLU HA H 16 3.550 3.550 3.812 -0.262 19479 2468 1 7 . 1 1 16 16 GLU CA C 16 59.495 59.495 59.547 -0.052 19479 2469 1 7 . 1 1 16 16 GLU CB C 16 30.851 30.851 29.013 1.838 19479 2470 1 7 . 1 1 16 16 GLU H H 16 8.470 8.470 7.790 0.680 19479 2471 1 7 . 1 1 17 17 SER N N 17 112.637 112.637 113.776 -1.139 19479 2472 1 7 . 1 1 17 17 SER HA H 17 3.968 3.968 4.082 -0.114 19479 2473 1 7 . 1 1 17 17 SER CA C 17 62.523 62.523 61.874 0.648 19479 2474 1 7 . 1 1 17 17 SER CB C 17 62.669 62.669 62.944 -0.275 19479 2475 1 7 . 1 1 17 17 SER H H 17 8.386 8.386 7.927 0.459 19479 2476 1 7 . 1 1 18 18 LYS N N 18 124.394 124.394 121.051 3.343 19479 2477 1 7 . 1 1 18 18 LYS HA H 18 4.287 4.287 4.186 0.101 19479 2478 1 7 . 1 1 18 18 LYS CA C 18 57.421 57.421 58.636 -1.215 19479 2479 1 7 . 1 1 18 18 LYS CB C 18 30.018 30.018 32.291 -2.273 19479 2480 1 7 . 1 1 18 18 LYS H H 18 8.104 8.104 7.379 0.725 19479 2481 1 7 . 1 1 19 19 LEU N N 19 118.589 118.589 120.041 -1.452 19479 2482 1 7 . 1 1 19 19 LEU HA H 19 4.027 4.027 4.028 -0.001 19479 2483 1 7 . 1 1 19 19 LEU CA C 19 58.178 58.178 58.365 -0.187 19479 2484 1 7 . 1 1 19 19 LEU CB C 19 42.135 42.135 41.435 0.700 19479 2485 1 7 . 1 1 19 19 LEU H H 19 8.742 8.742 7.800 0.942 19479 2486 1 7 . 1 1 20 20 ALA N N 20 121.037 121.037 121.192 -0.155 19479 2487 1 7 . 1 1 20 20 ALA HA H 20 3.775 3.775 3.695 0.080 19479 2488 1 7 . 1 1 20 20 ALA CA C 20 56.194 56.194 55.143 1.051 19479 2489 1 7 . 1 1 20 20 ALA CB C 20 16.862 16.862 17.915 -1.053 19479 2490 1 7 . 1 1 20 20 ALA H H 20 8.199 8.199 8.064 0.135 19479 2491 1 7 . 1 1 21 21 GLU N N 21 118.948 118.948 119.162 -0.214 19479 2492 1 7 . 1 1 21 21 GLU HA H 21 4.129 4.129 4.082 0.047 19479 2493 1 7 . 1 1 21 21 GLU CA C 21 59.788 59.788 59.378 0.410 19479 2494 1 7 . 1 1 21 21 GLU CB C 21 29.887 29.887 29.688 0.199 19479 2495 1 7 . 1 1 21 21 GLU H H 21 7.716 7.716 7.555 0.161 19479 2496 1 7 . 1 1 22 22 ILE N N 22 120.355 120.355 119.335 1.020 19479 2497 1 7 . 1 1 22 22 ILE HA H 22 3.780 3.780 3.974 -0.194 19479 2498 1 7 . 1 1 22 22 ILE CA C 22 65.850 65.850 62.891 2.959 19479 2499 1 7 . 1 1 22 22 ILE CB C 22 38.677 38.677 36.733 1.944 19479 2500 1 7 . 1 1 22 22 ILE H H 22 8.409 8.409 7.600 0.809 19479 2501 1 7 . 1 1 23 23 TRP N N 23 120.272 120.272 120.601 -0.329 19479 2502 1 7 . 1 1 23 23 TRP HA H 23 4.191 4.191 4.388 -0.197 19479 2503 1 7 . 1 1 23 23 TRP CA C 23 61.819 61.819 61.024 0.795 19479 2504 1 7 . 1 1 23 23 TRP CB C 23 29.177 29.177 28.391 0.786 19479 2505 1 7 . 1 1 23 23 TRP H H 23 9.551 9.551 8.501 1.050 19479 2506 1 7 . 1 1 24 24 GLU N N 24 119.281 119.281 118.886 0.395 19479 2507 1 7 . 1 1 24 24 GLU HA H 24 4.210 4.210 4.123 0.087 19479 2508 1 7 . 1 1 24 24 GLU CA C 24 60.695 60.695 59.661 1.034 19479 2509 1 7 . 1 1 24 24 GLU CB C 24 29.397 29.397 29.389 0.008 19479 2510 1 7 . 1 1 24 24 GLU H H 24 9.039 9.039 8.352 0.687 19479 2511 1 7 . 1 1 25 25 ARG N N 25 119.408 119.408 118.483 0.925 19479 2512 1 7 . 1 1 25 25 ARG HA H 25 4.205 4.205 4.200 0.005 19479 2513 1 7 . 1 1 25 25 ARG CA C 25 59.015 59.015 57.782 1.233 19479 2514 1 7 . 1 1 25 25 ARG CB C 25 30.246 30.246 30.262 -0.016 19479 2515 1 7 . 1 1 25 25 ARG H H 25 8.060 8.060 7.636 0.424 19479 2516 1 7 . 1 1 26 26 VAL N N 26 119.220 119.220 119.013 0.207 19479 2517 1 7 . 1 1 26 26 VAL HA H 26 3.782 3.782 3.780 0.002 19479 2518 1 7 . 1 1 26 26 VAL CA C 26 65.845 65.845 65.810 0.035 19479 2519 1 7 . 1 1 26 26 VAL CB C 26 32.717 32.717 32.016 0.701 19479 2520 1 7 . 1 1 26 26 VAL H H 26 8.475 8.475 8.084 0.391 19479 2521 1 7 . 1 1 27 27 LEU N N 27 116.095 116.095 115.781 0.314 19479 2522 1 7 . 1 1 27 27 LEU HA H 27 4.018 4.018 4.056 -0.038 19479 2523 1 7 . 1 1 27 27 LEU CA C 27 55.757 55.757 55.834 -0.077 19479 2524 1 7 . 1 1 27 27 LEU CB C 27 42.504 42.504 42.278 0.226 19479 2525 1 7 . 1 1 27 27 LEU H H 27 9.005 9.005 8.178 0.827 19479 2526 1 7 . 1 1 28 28 GLY N N 28 108.722 108.722 107.355 1.367 19479 2527 1 7 . 1 1 28 28 GLY CA C 28 46.721 46.721 45.522 1.199 19479 2528 1 7 . 1 1 28 28 GLY H H 28 8.056 8.056 7.773 0.283 19479 2529 1 7 . 1 1 29 29 VAL N N 29 115.103 115.103 114.922 0.181 19479 2530 1 7 . 1 1 29 29 VAL HA H 29 4.457 4.457 4.768 -0.311 19479 2531 1 7 . 1 1 29 29 VAL CA C 29 59.845 59.845 59.575 0.270 19479 2532 1 7 . 1 1 29 29 VAL CB C 29 35.477 35.477 34.645 0.832 19479 2533 1 7 . 1 1 29 29 VAL H H 29 7.044 7.044 7.605 -0.561 19479 2534 1 7 . 1 1 30 30 SER N N 30 115.417 115.417 115.415 0.002 19479 2535 1 7 . 1 1 30 30 SER HA H 30 4.683 4.683 4.604 0.079 19479 2536 1 7 . 1 1 30 30 SER CA C 30 56.970 56.970 57.181 -0.211 19479 2537 1 7 . 1 1 30 30 SER CB C 30 65.294 65.294 64.241 1.053 19479 2538 1 7 . 1 1 30 30 SER H H 30 8.151 8.151 8.280 -0.129 19479 2539 1 7 . 1 1 31 31 GLY N N 31 112.008 112.008 113.904 -1.896 19479 2540 1 7 . 1 1 31 31 GLY CA C 31 46.545 46.545 44.812 1.733 19479 2541 1 7 . 1 1 31 31 GLY H H 31 8.573 8.573 8.975 -0.402 19479 2542 1 7 . 1 1 32 32 ILE N N 32 121.204 121.204 122.636 -1.432 19479 2543 1 7 . 1 1 32 32 ILE HA H 32 3.898 3.898 4.266 -0.368 19479 2544 1 7 . 1 1 32 32 ILE CA C 32 63.126 63.126 59.978 3.148 19479 2545 1 7 . 1 1 32 32 ILE CB C 32 38.993 38.993 36.603 2.390 19479 2546 1 7 . 1 1 32 32 ILE H H 32 8.241 8.241 8.407 -0.166 19479 2547 1 7 . 1 1 33 33 GLY N N 33 115.038 115.038 114.455 0.583 19479 2548 1 7 . 1 1 33 33 GLY CA C 33 44.330 44.330 43.401 0.929 19479 2549 1 7 . 1 1 33 33 GLY H H 33 8.760 8.760 8.400 0.360 19479 2550 1 7 . 1 1 34 34 ILE N N 34 110.067 110.067 116.995 -6.928 19479 2551 1 7 . 1 1 34 34 ILE HA H 34 4.017 4.017 3.893 0.124 19479 2552 1 7 . 1 1 34 34 ILE CA C 34 64.500 64.500 64.225 0.275 19479 2553 1 7 . 1 1 34 34 ILE CB C 34 37.731 37.731 38.191 -0.460 19479 2554 1 7 . 1 1 34 34 ILE H H 34 8.566 8.566 8.396 0.170 19479 2555 1 7 . 1 1 35 35 LEU N N 35 117.052 117.052 114.314 2.738 19479 2556 1 7 . 1 1 35 35 LEU HA H 35 4.692 4.692 4.607 0.085 19479 2557 1 7 . 1 1 35 35 LEU CA C 35 53.247 53.247 53.697 -0.450 19479 2558 1 7 . 1 1 35 35 LEU CB C 35 42.094 42.094 41.296 0.798 19479 2559 1 7 . 1 1 35 35 LEU H H 35 8.191 8.191 7.864 0.327 19479 2560 1 7 . 1 1 36 36 ASP N N 36 121.535 121.535 123.137 -1.602 19479 2561 1 7 . 1 1 36 36 ASP HA H 36 4.387 4.387 4.571 -0.184 19479 2562 1 7 . 1 1 36 36 ASP CA C 36 55.244 55.244 56.019 -0.775 19479 2563 1 7 . 1 1 36 36 ASP CB C 36 41.170 41.170 41.625 -0.455 19479 2564 1 7 . 1 1 36 36 ASP H H 36 7.098 7.098 7.463 -0.365 19479 2565 1 7 . 1 1 37 37 ASN N N 37 123.266 123.266 122.544 0.722 19479 2566 1 7 . 1 1 37 37 ASN HA H 37 4.954 4.954 5.335 -0.381 19479 2567 1 7 . 1 1 37 37 ASN CA C 37 53.319 53.319 53.363 -0.044 19479 2568 1 7 . 1 1 37 37 ASN CB C 37 39.610 39.610 39.627 -0.017 19479 2569 1 7 . 1 1 37 37 ASN H H 37 9.116 9.116 8.609 0.507 19479 2570 1 7 . 1 1 38 38 PHE N N 38 126.469 126.469 126.461 0.008 19479 2571 1 7 . 1 1 38 38 PHE HA H 38 3.393 3.393 3.815 -0.422 19479 2572 1 7 . 1 1 38 38 PHE CA C 38 61.965 61.965 62.380 -0.416 19479 2573 1 7 . 1 1 38 38 PHE CB C 38 40.851 40.851 38.888 1.964 19479 2574 1 7 . 1 1 38 38 PHE H H 38 9.344 9.344 8.766 0.578 19479 2575 1 7 . 1 1 39 39 PHE N N 39 112.189 112.189 115.038 -2.849 19479 2576 1 7 . 1 1 39 39 PHE HA H 39 3.933 3.933 4.610 -0.677 19479 2577 1 7 . 1 1 39 39 PHE CA C 39 59.682 59.682 60.755 -1.073 19479 2578 1 7 . 1 1 39 39 PHE CB C 39 38.040 38.040 38.457 -0.417 19479 2579 1 7 . 1 1 39 39 PHE H H 39 8.052 8.052 8.262 -0.210 19479 2580 1 7 . 1 1 40 40 GLN N N 40 119.928 119.928 119.286 0.642 19479 2581 1 7 . 1 1 40 40 GLN HA H 40 4.392 4.392 4.204 0.188 19479 2582 1 7 . 1 1 40 40 GLN CA C 40 57.191 57.191 58.186 -0.995 19479 2583 1 7 . 1 1 40 40 GLN CB C 40 29.466 29.466 28.280 1.186 19479 2584 1 7 . 1 1 40 40 GLN H H 40 8.297 8.297 7.994 0.303 19479 2585 1 7 . 1 1 41 41 ILE N N 41 110.997 110.997 118.713 -7.716 19479 2586 1 7 . 1 1 41 41 ILE HA H 41 4.493 4.493 4.107 0.386 19479 2587 1 7 . 1 1 41 41 ILE CA C 41 61.348 61.348 61.558 -0.210 19479 2588 1 7 . 1 1 41 41 ILE CB C 41 37.882 37.882 38.127 -0.245 19479 2589 1 7 . 1 1 41 41 ILE H H 41 7.133 7.133 7.286 -0.153 19479 2590 1 7 . 1 1 42 42 GLY N N 42 106.355 106.355 107.772 -1.417 19479 2591 1 7 . 1 1 42 42 GLY CA C 42 44.679 44.679 44.904 -0.224 19479 2592 1 7 . 1 1 42 42 GLY H H 42 7.433 7.433 7.768 -0.335 19479 2593 1 7 . 1 1 43 43 GLY N N 43 107.808 107.808 108.532 -0.724 19479 2594 1 7 . 1 1 43 43 GLY CA C 43 45.389 45.389 44.214 1.175 19479 2595 1 7 . 1 1 43 43 GLY H H 43 7.826 7.826 7.285 0.541 19479 2596 1 7 . 1 1 44 44 HIS N N 44 112.337 112.337 119.363 -7.026 19479 2597 1 7 . 1 1 44 44 HIS HA H 44 4.979 4.979 5.034 -0.055 19479 2598 1 7 . 1 1 44 44 HIS CA C 44 54.773 54.773 53.701 1.072 19479 2599 1 7 . 1 1 44 44 HIS CB C 44 31.867 31.867 31.790 0.077 19479 2600 1 7 . 1 1 44 44 HIS H H 44 6.369 6.369 7.307 -0.938 19479 2601 1 7 . 1 1 45 45 ALA HA H 45 4.264 4.264 4.126 0.138 19479 2602 1 7 . 1 1 45 45 ALA CA C 45 57.581 57.581 55.545 2.036 19479 2603 1 7 . 1 1 45 45 ALA CB C 45 18.718 18.718 18.265 0.453 19479 2604 1 7 . 1 1 46 46 LEU N N 46 117.791 117.791 118.459 -0.668 19479 2605 1 7 . 1 1 46 46 LEU HA H 46 4.420 4.420 4.088 0.332 19479 2606 1 7 . 1 1 46 46 LEU CA C 46 58.559 58.559 58.233 0.326 19479 2607 1 7 . 1 1 46 46 LEU CB C 46 41.652 41.652 42.044 -0.392 19479 2608 1 7 . 1 1 46 46 LEU H H 46 8.807 8.807 8.422 0.385 19479 2609 1 7 . 1 1 47 47 LYS N N 47 118.822 118.822 118.027 0.795 19479 2610 1 7 . 1 1 47 47 LYS HA H 47 4.200 4.200 3.897 0.303 19479 2611 1 7 . 1 1 47 47 LYS CA C 47 58.352 58.352 58.326 0.026 19479 2612 1 7 . 1 1 47 47 LYS CB C 47 32.994 32.994 31.296 1.698 19479 2613 1 7 . 1 1 47 47 LYS H H 47 7.589 7.589 7.230 0.359 19479 2614 1 7 . 1 1 48 48 ALA N N 48 122.769 122.769 122.932 -0.163 19479 2615 1 7 . 1 1 48 48 ALA HA H 48 3.575 3.575 3.568 0.007 19479 2616 1 7 . 1 1 48 48 ALA CA C 48 55.102 55.102 54.941 0.161 19479 2617 1 7 . 1 1 48 48 ALA CB C 48 18.239 18.239 17.961 0.278 19479 2618 1 7 . 1 1 48 48 ALA H H 48 8.736 8.736 8.327 0.409 19479 2619 1 7 . 1 1 49 49 MET N N 49 116.936 116.936 116.609 0.327 19479 2620 1 7 . 1 1 49 49 MET HA H 49 4.169 4.169 3.974 0.195 19479 2621 1 7 . 1 1 49 49 MET CA C 49 58.869 58.869 58.709 0.160 19479 2622 1 7 . 1 1 49 49 MET CB C 49 32.511 32.511 31.781 0.730 19479 2623 1 7 . 1 1 49 49 MET H H 49 8.000 8.000 8.219 -0.219 19479 2624 1 7 . 1 1 50 50 ALA N N 50 123.686 123.686 121.252 2.434 19479 2625 1 7 . 1 1 50 50 ALA HA H 50 4.401 4.401 4.100 0.301 19479 2626 1 7 . 1 1 50 50 ALA CA C 50 55.265 55.265 54.931 0.334 19479 2627 1 7 . 1 1 50 50 ALA CB C 50 18.320 18.320 17.875 0.445 19479 2628 1 7 . 1 1 50 50 ALA H H 50 7.389 7.389 7.448 -0.059 19479 2629 1 7 . 1 1 51 51 VAL N N 51 118.885 118.885 119.133 -0.248 19479 2630 1 7 . 1 1 51 51 VAL HA H 51 3.437 3.437 3.557 -0.120 19479 2631 1 7 . 1 1 51 51 VAL CA C 51 66.975 66.975 66.181 0.794 19479 2632 1 7 . 1 1 51 51 VAL CB C 51 31.268 31.268 31.301 -0.033 19479 2633 1 7 . 1 1 51 51 VAL H H 51 7.981 7.981 7.380 0.601 19479 2634 1 7 . 1 1 52 52 ALA N N 52 121.555 121.555 121.474 0.081 19479 2635 1 7 . 1 1 52 52 ALA HA H 52 3.990 3.990 3.900 0.090 19479 2636 1 7 . 1 1 52 52 ALA CA C 52 56.056 56.056 54.940 1.116 19479 2637 1 7 . 1 1 52 52 ALA CB C 52 18.099 18.099 18.034 0.065 19479 2638 1 7 . 1 1 52 52 ALA H H 52 8.499 8.499 8.143 0.356 19479 2639 1 7 . 1 1 53 53 ALA N N 53 121.958 121.958 121.398 0.560 19479 2640 1 7 . 1 1 53 53 ALA HA H 53 4.346 4.346 4.079 0.267 19479 2641 1 7 . 1 1 53 53 ALA CA C 53 55.454 55.454 54.997 0.457 19479 2642 1 7 . 1 1 53 53 ALA CB C 53 18.079 18.079 18.233 -0.154 19479 2643 1 7 . 1 1 53 53 ALA H H 53 8.238 8.238 7.644 0.594 19479 2644 1 7 . 1 1 54 54 GLN N N 54 118.520 118.520 118.410 0.110 19479 2645 1 7 . 1 1 54 54 GLN HA H 54 4.157 4.157 4.068 0.089 19479 2646 1 7 . 1 1 54 54 GLN CA C 54 59.303 59.303 58.869 0.434 19479 2647 1 7 . 1 1 54 54 GLN CB C 54 28.684 28.684 28.923 -0.239 19479 2648 1 7 . 1 1 54 54 GLN H H 54 7.914 7.914 7.705 0.209 19479 2649 1 7 . 1 1 55 55 VAL N N 55 121.643 121.643 120.956 0.687 19479 2650 1 7 . 1 1 55 55 VAL HA H 55 3.673 3.673 3.903 -0.230 19479 2651 1 7 . 1 1 55 55 VAL CA C 55 67.521 67.521 67.127 0.394 19479 2652 1 7 . 1 1 55 55 VAL CB C 55 31.569 31.569 31.893 -0.324 19479 2653 1 7 . 1 1 55 55 VAL H H 55 8.915 8.915 8.701 0.214 19479 2654 1 7 . 1 1 56 56 HIS N N 56 120.993 120.993 119.663 1.330 19479 2655 1 7 . 1 1 56 56 HIS HA H 56 4.314 4.314 4.696 -0.382 19479 2656 1 7 . 1 1 56 56 HIS CA C 56 60.994 60.994 58.959 2.035 19479 2657 1 7 . 1 1 56 56 HIS CB C 56 30.226 30.226 29.883 0.343 19479 2658 1 7 . 1 1 56 56 HIS H H 56 8.328 8.328 8.300 0.028 19479 2659 1 7 . 1 1 57 57 ARG N N 57 119.241 119.241 117.753 1.488 19479 2660 1 7 . 1 1 57 57 ARG HA H 57 3.963 3.963 4.246 -0.283 19479 2661 1 7 . 1 1 57 57 ARG CA C 57 59.269 59.269 58.616 0.653 19479 2662 1 7 . 1 1 57 57 ARG CB C 57 30.220 30.220 29.911 0.309 19479 2663 1 7 . 1 1 57 57 ARG H H 57 7.849 7.849 7.859 -0.010 19479 2664 1 7 . 1 1 58 58 GLU N N 58 116.079 116.079 118.862 -2.783 19479 2665 1 7 . 1 1 58 58 GLU HA H 58 3.944 3.944 4.175 -0.231 19479 2666 1 7 . 1 1 58 58 GLU CA C 58 58.351 58.351 58.435 -0.084 19479 2667 1 7 . 1 1 58 58 GLU CB C 58 30.571 30.571 30.520 0.051 19479 2668 1 7 . 1 1 58 58 GLU H H 58 7.874 7.874 8.026 -0.152 19479 2669 1 7 . 1 1 59 59 TYR N N 59 112.274 112.274 116.725 -4.451 19479 2670 1 7 . 1 1 59 59 TYR HA H 59 4.686 4.686 4.517 0.169 19479 2671 1 7 . 1 1 59 59 TYR CA C 59 58.616 58.616 58.436 0.180 19479 2672 1 7 . 1 1 59 59 TYR CB C 59 40.589 40.589 38.364 2.225 19479 2673 1 7 . 1 1 59 59 TYR H H 59 8.303 8.303 8.272 0.031 19479 2674 1 7 . 1 1 60 60 GLN N N 60 115.629 115.629 115.437 0.192 19479 2675 1 7 . 1 1 60 60 GLN HA H 60 3.481 3.481 4.255 -0.774 19479 2676 1 7 . 1 1 60 60 GLN CA C 60 57.418 57.418 56.850 0.568 19479 2677 1 7 . 1 1 60 60 GLN CB C 60 25.628 25.628 26.537 -0.909 19479 2678 1 7 . 1 1 60 60 GLN H H 60 8.382 8.382 7.857 0.525 19479 2679 1 7 . 1 1 61 61 VAL N N 61 114.547 114.547 115.406 -0.859 19479 2680 1 7 . 1 1 61 61 VAL HA H 61 4.347 4.347 4.296 0.051 19479 2681 1 7 . 1 1 61 61 VAL CA C 61 60.118 60.118 59.514 0.604 19479 2682 1 7 . 1 1 61 61 VAL CB C 61 35.547 35.547 35.509 0.038 19479 2683 1 7 . 1 1 61 61 VAL H H 61 6.532 6.532 7.829 -1.297 19479 2684 1 7 . 1 1 62 62 GLU N N 62 125.938 125.938 127.880 -1.942 19479 2685 1 7 . 1 1 62 62 GLU HA H 62 4.270 4.270 3.734 0.536 19479 2686 1 7 . 1 1 62 62 GLU CA C 62 55.857 55.857 56.189 -0.332 19479 2687 1 7 . 1 1 62 62 GLU CB C 62 30.334 30.334 30.151 0.183 19479 2688 1 7 . 1 1 62 62 GLU H H 62 8.741 8.741 8.432 0.309 19479 2689 1 7 . 1 1 63 63 LEU N N 63 127.837 127.837 128.547 -0.710 19479 2690 1 7 . 1 1 63 63 LEU HA H 63 4.845 4.845 4.897 -0.052 19479 2691 1 7 . 1 1 63 63 LEU CA C 63 50.751 50.751 50.958 -0.207 19479 2692 1 7 . 1 1 63 63 LEU CB C 63 43.313 43.313 43.120 0.193 19479 2693 1 7 . 1 1 63 63 LEU H H 63 8.939 8.939 8.425 0.514 19479 2694 1 7 . 1 1 64 64 PRO HA H 64 4.446 4.446 4.514 -0.068 19479 2695 1 7 . 1 1 64 64 PRO CA C 64 62.060 62.060 62.032 0.028 19479 2696 1 7 . 1 1 64 64 PRO CB C 64 32.346 32.346 32.784 -0.438 19479 2697 1 7 . 1 1 65 65 LEU N N 65 126.325 126.325 123.274 3.051 19479 2698 1 7 . 1 1 65 65 LEU HA H 65 3.772 3.772 3.891 -0.119 19479 2699 1 7 . 1 1 65 65 LEU CA C 65 58.426 58.426 57.824 0.602 19479 2700 1 7 . 1 1 65 65 LEU CB C 65 40.688 40.688 41.980 -1.292 19479 2701 1 7 . 1 1 65 65 LEU H H 65 8.746 8.746 8.732 0.014 19479 2702 1 7 . 1 1 66 66 LYS N N 66 114.157 114.157 118.678 -4.521 19479 2703 1 7 . 1 1 66 66 LYS HA H 66 3.999 3.999 4.278 -0.279 19479 2704 1 7 . 1 1 66 66 LYS CA C 66 59.383 59.383 59.782 -0.399 19479 2705 1 7 . 1 1 66 66 LYS CB C 66 32.166 32.166 32.035 0.131 19479 2706 1 7 . 1 1 66 66 LYS H H 66 8.551 8.551 8.409 0.142 19479 2707 1 7 . 1 1 67 67 VAL N N 67 119.827 119.827 119.240 0.587 19479 2708 1 7 . 1 1 67 67 VAL HA H 67 3.611 3.611 3.586 0.025 19479 2709 1 7 . 1 1 67 67 VAL CA C 67 65.655 65.655 65.283 0.372 19479 2710 1 7 . 1 1 67 67 VAL CB C 67 31.425 31.425 30.825 0.600 19479 2711 1 7 . 1 1 67 67 VAL H H 67 7.190 7.190 7.845 -0.655 19479 2712 1 7 . 1 1 68 68 LEU N N 68 120.867 120.867 122.419 -1.552 19479 2713 1 7 . 1 1 68 68 LEU HA H 68 3.922 3.922 3.882 0.040 19479 2714 1 7 . 1 1 68 68 LEU CA C 68 58.322 58.322 57.819 0.503 19479 2715 1 7 . 1 1 68 68 LEU CB C 68 41.911 41.911 40.800 1.111 19479 2716 1 7 . 1 1 68 68 LEU H H 68 6.936 6.936 7.288 -0.352 19479 2717 1 7 . 1 1 69 69 PHE N N 69 112.682 112.682 117.699 -5.017 19479 2718 1 7 . 1 1 69 69 PHE HA H 69 4.265 4.265 4.697 -0.432 19479 2719 1 7 . 1 1 69 69 PHE CA C 69 60.265 60.265 59.851 0.414 19479 2720 1 7 . 1 1 69 69 PHE CB C 69 38.725 38.725 38.656 0.069 19479 2721 1 7 . 1 1 69 69 PHE H H 69 8.201 8.201 8.434 -0.233 19479 2722 1 7 . 1 1 70 70 ALA N N 70 118.803 118.803 121.754 -2.951 19479 2723 1 7 . 1 1 70 70 ALA HA H 70 4.302 4.302 3.651 0.651 19479 2724 1 7 . 1 1 70 70 ALA CA C 70 54.025 54.025 53.347 0.678 19479 2725 1 7 . 1 1 70 70 ALA CB C 70 19.656 19.656 19.093 0.563 19479 2726 1 7 . 1 1 70 70 ALA H H 70 7.448 7.448 7.077 0.371 19479 2727 1 7 . 1 1 71 71 GLN N N 71 116.280 116.280 115.684 0.596 19479 2728 1 7 . 1 1 71 71 GLN HA H 71 4.848 4.848 4.758 0.090 19479 2729 1 7 . 1 1 71 71 GLN CA C 71 53.120 53.120 52.199 0.921 19479 2730 1 7 . 1 1 71 71 GLN CB C 71 29.026 29.026 29.677 -0.651 19479 2731 1 7 . 1 1 71 71 GLN H H 71 7.561 7.561 7.937 -0.376 19479 2732 1 7 . 1 1 72 72 PRO HA H 72 4.989 4.989 4.635 0.354 19479 2733 1 7 . 1 1 72 72 PRO CA C 72 64.307 64.307 63.094 1.213 19479 2734 1 7 . 1 1 72 72 PRO CB C 72 30.240 30.240 30.392 -0.152 19479 2735 1 7 . 1 1 73 73 THR N N 73 109.972 109.972 111.748 -1.776 19479 2736 1 7 . 1 1 73 73 THR HA H 73 5.198 5.198 5.205 -0.007 19479 2737 1 7 . 1 1 73 73 THR CA C 73 59.292 59.292 59.608 -0.316 19479 2738 1 7 . 1 1 73 73 THR CB C 73 72.314 72.314 72.978 -0.663 19479 2739 1 7 . 1 1 73 73 THR H H 73 8.303 8.303 8.172 0.131 19479 2740 1 7 . 1 1 74 74 ILE N N 74 125.105 125.105 123.685 1.420 19479 2741 1 7 . 1 1 74 74 ILE HA H 74 3.061 3.061 3.320 -0.259 19479 2742 1 7 . 1 1 74 74 ILE CA C 74 66.019 66.019 64.067 1.952 19479 2743 1 7 . 1 1 74 74 ILE CB C 74 37.443 37.443 36.704 0.739 19479 2744 1 7 . 1 1 74 74 ILE H H 74 9.908 9.908 9.042 0.866 19479 2745 1 7 . 1 1 75 75 LYS N N 75 119.445 119.445 121.352 -1.907 19479 2746 1 7 . 1 1 75 75 LYS HA H 75 3.797 3.797 3.843 -0.046 19479 2747 1 7 . 1 1 75 75 LYS CA C 75 60.205 60.205 60.188 0.017 19479 2748 1 7 . 1 1 75 75 LYS CB C 75 33.098 33.098 32.113 0.985 19479 2749 1 7 . 1 1 75 75 LYS H H 75 9.024 9.024 7.948 1.076 19479 2750 1 7 . 1 1 76 76 ALA N N 76 119.581 119.581 121.167 -1.586 19479 2751 1 7 . 1 1 76 76 ALA HA H 76 4.216 4.216 4.101 0.115 19479 2752 1 7 . 1 1 76 76 ALA CA C 76 54.809 54.809 54.855 -0.046 19479 2753 1 7 . 1 1 76 76 ALA CB C 76 19.422 19.422 18.207 1.215 19479 2754 1 7 . 1 1 76 76 ALA H H 76 7.621 7.621 8.218 -0.597 19479 2755 1 7 . 1 1 77 77 LEU N N 77 121.833 121.833 118.947 2.886 19479 2756 1 7 . 1 1 77 77 LEU HA H 77 4.097 4.097 4.009 0.088 19479 2757 1 7 . 1 1 77 77 LEU CA C 77 57.612 57.612 57.439 0.173 19479 2758 1 7 . 1 1 77 77 LEU CB C 77 42.192 42.192 41.352 0.840 19479 2759 1 7 . 1 1 77 77 LEU H H 77 8.915 8.915 7.988 0.927 19479 2760 1 7 . 1 1 78 78 ALA N N 78 120.481 120.481 122.485 -2.004 19479 2761 1 7 . 1 1 78 78 ALA HA H 78 3.751 3.751 3.847 -0.096 19479 2762 1 7 . 1 1 78 78 ALA CA C 78 55.117 55.117 55.509 -0.392 19479 2763 1 7 . 1 1 78 78 ALA CB C 78 19.603 19.603 18.232 1.371 19479 2764 1 7 . 1 1 78 78 ALA H H 78 9.393 9.393 8.666 0.727 19479 2765 1 7 . 1 1 79 79 GLN N N 79 117.799 117.799 117.243 0.556 19479 2766 1 7 . 1 1 79 79 GLN HA H 79 4.069 4.069 4.023 0.046 19479 2767 1 7 . 1 1 79 79 GLN CA C 79 58.790 58.790 58.425 0.365 19479 2768 1 7 . 1 1 79 79 GLN CB C 79 28.256 28.256 28.532 -0.276 19479 2769 1 7 . 1 1 79 79 GLN H H 79 7.179 7.179 7.817 -0.638 19479 2770 1 7 . 1 1 80 80 TYR N N 80 121.754 121.754 122.555 -0.801 19479 2771 1 7 . 1 1 80 80 TYR HA H 80 3.982 3.982 4.080 -0.098 19479 2772 1 7 . 1 1 80 80 TYR CA C 80 61.965 61.965 61.532 0.432 19479 2773 1 7 . 1 1 80 80 TYR CB C 80 38.227 38.227 38.727 -0.500 19479 2774 1 7 . 1 1 80 80 TYR H H 80 7.716 7.716 7.999 -0.283 19479 2775 1 7 . 1 1 81 81 VAL N N 81 117.864 117.864 118.288 -0.424 19479 2776 1 7 . 1 1 81 81 VAL HA H 81 3.264 3.264 3.366 -0.102 19479 2777 1 7 . 1 1 81 81 VAL CA C 81 66.719 66.719 65.834 0.885 19479 2778 1 7 . 1 1 81 81 VAL CB C 81 32.032 32.032 31.577 0.455 19479 2779 1 7 . 1 1 81 81 VAL H H 81 8.536 8.536 8.588 -0.052 19479 2780 1 7 . 1 1 82 82 ALA N N 82 121.044 121.044 122.975 -1.931 19479 2781 1 7 . 1 1 82 82 ALA HA H 82 3.931 3.931 4.043 -0.112 19479 2782 1 7 . 1 1 82 82 ALA CA C 82 55.130 55.130 54.971 0.159 19479 2783 1 7 . 1 1 82 82 ALA CB C 82 18.588 18.588 18.480 0.108 19479 2784 1 7 . 1 1 82 82 ALA H H 82 8.420 8.420 8.120 0.300 19479 2785 1 7 . 1 1 83 83 THR N N 83 109.020 109.020 110.574 -1.554 19479 2786 1 7 . 1 1 83 83 THR HA H 83 4.081 4.081 4.093 -0.012 19479 2787 1 7 . 1 1 83 83 THR CA C 83 64.388 64.388 64.438 -0.050 19479 2788 1 7 . 1 1 83 83 THR CB C 83 69.529 69.529 68.587 0.942 19479 2789 1 7 . 1 1 83 83 THR H H 83 7.558 7.558 7.888 -0.330 19479 2790 1 7 . 1 1 84 84 ARG N N 84 119.856 119.856 117.226 2.630 19479 2791 1 7 . 1 1 84 84 ARG HA H 84 4.199 4.199 4.316 -0.117 19479 2792 1 7 . 1 1 84 84 ARG CA C 84 56.279 56.279 56.923 -0.645 19479 2793 1 7 . 1 1 84 84 ARG CB C 84 30.866 30.866 31.375 -0.509 19479 2794 1 7 . 1 1 84 84 ARG H H 84 7.368 7.368 7.391 -0.023 19479 2795 1 7 . 1 1 85 85 SER N N 85 114.607 114.607 112.432 2.175 19479 2796 1 7 . 1 1 85 85 SER HA H 85 4.301 4.301 4.341 -0.040 19479 2797 1 7 . 1 1 85 85 SER CA C 85 58.927 58.927 59.544 -0.617 19479 2798 1 7 . 1 1 85 85 SER CB C 85 63.778 63.778 63.610 0.168 19479 2799 1 7 . 1 1 85 85 SER H H 85 7.783 7.783 7.848 -0.065 19479 2800 1 7 . 1 1 86 86 HIS HA H 86 4.608 4.608 4.903 -0.295 19479 2801 1 7 . 1 1 86 86 HIS CA C 86 56.102 56.102 54.980 1.122 19479 2802 1 7 . 1 1 86 86 HIS CB C 86 30.233 30.233 31.910 -1.677 19479 2803 1 7 . 1 1 87 87 HIS N N 87 125.453 125.453 117.537 7.916 19479 2804 1 7 . 1 1 87 87 HIS HA H 87 4.421 4.421 4.744 -0.323 19479 2805 1 7 . 1 1 87 87 HIS CA C 87 57.381 57.381 55.513 1.868 19479 2806 1 7 . 1 1 87 87 HIS CB C 87 30.430 30.430 32.167 -1.737 19479 2807 1 7 . 1 1 87 87 HIS H H 87 8.102 8.102 8.635 -0.533 19479 2808 1 8 . 1 1 3 3 VAL HA H 3 4.160 4.160 4.026 0.134 19479 2809 1 8 . 1 1 3 3 VAL CA C 3 63.130 63.130 62.719 0.410 19479 2810 1 8 . 1 1 3 3 VAL CB C 3 32.605 32.605 32.080 0.525 19479 2811 1 8 . 1 1 4 4 THR N N 4 117.074 117.074 121.257 -4.183 19479 2812 1 8 . 1 1 4 4 THR HA H 4 4.454 4.454 4.533 -0.079 19479 2813 1 8 . 1 1 4 4 THR CA C 4 61.454 61.454 63.234 -1.780 19479 2814 1 8 . 1 1 4 4 THR CB C 4 70.203 70.203 68.635 1.568 19479 2815 1 8 . 1 1 4 4 THR H H 4 8.269 8.269 8.430 -0.161 19479 2816 1 8 . 1 1 5 5 GLU N N 5 122.628 122.628 125.089 -2.461 19479 2817 1 8 . 1 1 5 5 GLU HA H 5 4.305 4.305 4.429 -0.124 19479 2818 1 8 . 1 1 5 5 GLU CA C 5 56.689 56.689 56.440 0.249 19479 2819 1 8 . 1 1 5 5 GLU CB C 5 30.297 30.297 30.387 -0.090 19479 2820 1 8 . 1 1 5 5 GLU H H 5 8.465 8.465 8.833 -0.368 19479 2821 1 8 . 1 1 6 6 ALA N N 6 124.915 124.915 123.228 1.687 19479 2822 1 8 . 1 1 6 6 ALA HA H 6 4.301 4.301 4.327 -0.026 19479 2823 1 8 . 1 1 6 6 ALA CA C 6 52.392 52.392 52.074 0.318 19479 2824 1 8 . 1 1 6 6 ALA CB C 6 19.520 19.520 19.501 0.019 19479 2825 1 8 . 1 1 6 6 ALA H H 6 8.333 8.333 7.983 0.350 19479 2826 1 8 . 1 1 7 7 GLN N N 7 120.476 120.476 119.390 1.086 19479 2827 1 8 . 1 1 7 7 GLN HA H 7 4.275 4.275 4.377 -0.102 19479 2828 1 8 . 1 1 7 7 GLN CA C 7 55.512 55.512 55.273 0.239 19479 2829 1 8 . 1 1 7 7 GLN CB C 7 29.495 29.495 29.690 -0.195 19479 2830 1 8 . 1 1 7 7 GLN H H 7 8.340 8.340 8.372 -0.032 19479 2831 1 8 . 1 1 8 8 TYR N N 8 124.499 124.499 121.440 3.059 19479 2832 1 8 . 1 1 8 8 TYR HA H 8 4.386 4.386 4.380 0.006 19479 2833 1 8 . 1 1 8 8 TYR CA C 8 60.233 60.233 59.281 0.952 19479 2834 1 8 . 1 1 8 8 TYR CB C 8 38.173 38.173 38.436 -0.263 19479 2835 1 8 . 1 1 8 8 TYR H H 8 8.506 8.506 8.450 0.056 19479 2836 1 8 . 1 1 9 9 VAL N N 9 130.011 130.011 129.666 0.345 19479 2837 1 8 . 1 1 9 9 VAL HA H 9 3.748 3.748 3.690 0.058 19479 2838 1 8 . 1 1 9 9 VAL CA C 9 61.317 61.317 60.545 0.772 19479 2839 1 8 . 1 1 9 9 VAL CB C 9 34.738 34.738 34.444 0.294 19479 2840 1 8 . 1 1 9 9 VAL H H 9 6.756 6.756 7.499 -0.743 19479 2841 1 8 . 1 1 10 10 ALA N N 10 130.264 130.264 129.298 0.966 19479 2842 1 8 . 1 1 10 10 ALA HA H 10 4.172 4.172 4.356 -0.184 19479 2843 1 8 . 1 1 10 10 ALA CA C 10 50.602 50.602 51.009 -0.407 19479 2844 1 8 . 1 1 10 10 ALA CB C 10 17.676 17.676 18.361 -0.685 19479 2845 1 8 . 1 1 10 10 ALA H H 10 8.125 8.125 7.919 0.206 19479 2846 1 8 . 1 1 11 11 PRO HA H 11 4.186 4.186 4.407 -0.221 19479 2847 1 8 . 1 1 11 11 PRO CA C 11 63.808 63.808 63.088 0.720 19479 2848 1 8 . 1 1 11 11 PRO CB C 11 32.674 32.674 32.176 0.498 19479 2849 1 8 . 1 1 12 12 THR N N 12 113.591 113.591 113.192 0.399 19479 2850 1 8 . 1 1 12 12 THR HA H 12 4.469 4.469 4.404 0.065 19479 2851 1 8 . 1 1 12 12 THR CA C 12 61.950 61.950 61.858 0.092 19479 2852 1 8 . 1 1 12 12 THR CB C 12 71.622 71.622 69.273 2.349 19479 2853 1 8 . 1 1 12 12 THR H H 12 9.701 9.701 8.095 1.606 19479 2854 1 8 . 1 1 13 13 ASN N N 13 116.088 116.088 118.765 -2.677 19479 2855 1 8 . 1 1 13 13 ASN HA H 13 4.771 4.771 4.912 -0.141 19479 2856 1 8 . 1 1 13 13 ASN CA C 13 51.947 51.947 51.697 0.250 19479 2857 1 8 . 1 1 13 13 ASN CB C 13 39.736 39.736 40.159 -0.423 19479 2858 1 8 . 1 1 13 13 ASN H H 13 7.423 7.423 7.831 -0.408 19479 2859 1 8 . 1 1 14 14 ALA HA H 14 4.136 4.136 4.019 0.117 19479 2860 1 8 . 1 1 14 14 ALA CA C 14 55.484 55.484 54.990 0.493 19479 2861 1 8 . 1 1 14 14 ALA CB C 14 19.020 19.020 18.480 0.540 19479 2862 1 8 . 1 1 15 15 VAL N N 15 120.332 120.332 118.520 1.812 19479 2863 1 8 . 1 1 15 15 VAL HA H 15 4.191 4.191 3.751 0.440 19479 2864 1 8 . 1 1 15 15 VAL CA C 15 65.158 65.158 65.939 -0.781 19479 2865 1 8 . 1 1 15 15 VAL CB C 15 31.513 31.513 31.333 0.180 19479 2866 1 8 . 1 1 15 15 VAL H H 15 7.938 7.938 8.157 -0.219 19479 2867 1 8 . 1 1 16 16 GLU N N 16 118.751 118.751 120.254 -1.503 19479 2868 1 8 . 1 1 16 16 GLU HA H 16 3.550 3.550 3.863 -0.313 19479 2869 1 8 . 1 1 16 16 GLU CA C 16 59.495 59.495 59.369 0.126 19479 2870 1 8 . 1 1 16 16 GLU CB C 16 30.851 30.851 29.070 1.780 19479 2871 1 8 . 1 1 16 16 GLU H H 16 8.470 8.470 7.764 0.706 19479 2872 1 8 . 1 1 17 17 SER N N 17 112.637 112.637 115.427 -2.790 19479 2873 1 8 . 1 1 17 17 SER HA H 17 3.968 3.968 4.087 -0.119 19479 2874 1 8 . 1 1 17 17 SER CA C 17 62.523 62.523 61.376 1.147 19479 2875 1 8 . 1 1 17 17 SER CB C 17 62.669 62.669 62.885 -0.216 19479 2876 1 8 . 1 1 17 17 SER H H 17 8.386 8.386 8.148 0.238 19479 2877 1 8 . 1 1 18 18 LYS N N 18 124.394 124.394 121.327 3.067 19479 2878 1 8 . 1 1 18 18 LYS HA H 18 4.287 4.287 4.084 0.203 19479 2879 1 8 . 1 1 18 18 LYS CA C 18 57.421 57.421 59.266 -1.845 19479 2880 1 8 . 1 1 18 18 LYS CB C 18 30.018 30.018 32.418 -2.400 19479 2881 1 8 . 1 1 18 18 LYS H H 18 8.104 8.104 7.809 0.295 19479 2882 1 8 . 1 1 19 19 LEU N N 19 118.589 118.589 119.085 -0.496 19479 2883 1 8 . 1 1 19 19 LEU HA H 19 4.027 4.027 4.129 -0.102 19479 2884 1 8 . 1 1 19 19 LEU CA C 19 58.178 58.178 58.134 0.044 19479 2885 1 8 . 1 1 19 19 LEU CB C 19 42.135 42.135 41.533 0.602 19479 2886 1 8 . 1 1 19 19 LEU H H 19 8.742 8.742 7.858 0.884 19479 2887 1 8 . 1 1 20 20 ALA N N 20 121.037 121.037 119.946 1.091 19479 2888 1 8 . 1 1 20 20 ALA HA H 20 3.775 3.775 3.738 0.037 19479 2889 1 8 . 1 1 20 20 ALA CA C 20 56.194 56.194 54.948 1.246 19479 2890 1 8 . 1 1 20 20 ALA CB C 20 16.862 16.862 18.068 -1.206 19479 2891 1 8 . 1 1 20 20 ALA H H 20 8.199 8.199 8.238 -0.039 19479 2892 1 8 . 1 1 21 21 GLU N N 21 118.948 118.948 119.035 -0.087 19479 2893 1 8 . 1 1 21 21 GLU HA H 21 4.129 4.129 4.155 -0.026 19479 2894 1 8 . 1 1 21 21 GLU CA C 21 59.788 59.788 59.234 0.554 19479 2895 1 8 . 1 1 21 21 GLU CB C 21 29.887 29.887 29.750 0.137 19479 2896 1 8 . 1 1 21 21 GLU H H 21 7.716 7.716 7.525 0.191 19479 2897 1 8 . 1 1 22 22 ILE N N 22 120.355 120.355 119.770 0.585 19479 2898 1 8 . 1 1 22 22 ILE HA H 22 3.780 3.780 3.945 -0.165 19479 2899 1 8 . 1 1 22 22 ILE CA C 22 65.850 65.850 63.006 2.844 19479 2900 1 8 . 1 1 22 22 ILE CB C 22 38.677 38.677 36.731 1.946 19479 2901 1 8 . 1 1 22 22 ILE H H 22 8.409 8.409 7.475 0.934 19479 2902 1 8 . 1 1 23 23 TRP N N 23 120.272 120.272 119.161 1.111 19479 2903 1 8 . 1 1 23 23 TRP HA H 23 4.191 4.191 4.370 -0.179 19479 2904 1 8 . 1 1 23 23 TRP CA C 23 61.819 61.819 61.312 0.506 19479 2905 1 8 . 1 1 23 23 TRP CB C 23 29.177 29.177 28.305 0.872 19479 2906 1 8 . 1 1 23 23 TRP H H 23 9.551 9.551 8.407 1.144 19479 2907 1 8 . 1 1 24 24 GLU N N 24 119.281 119.281 119.806 -0.525 19479 2908 1 8 . 1 1 24 24 GLU HA H 24 4.210 4.210 4.081 0.129 19479 2909 1 8 . 1 1 24 24 GLU CA C 24 60.695 60.695 59.822 0.873 19479 2910 1 8 . 1 1 24 24 GLU CB C 24 29.397 29.397 29.254 0.143 19479 2911 1 8 . 1 1 24 24 GLU H H 24 9.039 9.039 7.762 1.277 19479 2912 1 8 . 1 1 25 25 ARG N N 25 119.408 119.408 117.761 1.647 19479 2913 1 8 . 1 1 25 25 ARG HA H 25 4.205 4.205 4.141 0.064 19479 2914 1 8 . 1 1 25 25 ARG CA C 25 59.015 59.015 58.212 0.804 19479 2915 1 8 . 1 1 25 25 ARG CB C 25 30.246 30.246 29.644 0.602 19479 2916 1 8 . 1 1 25 25 ARG H H 25 8.060 8.060 7.933 0.127 19479 2917 1 8 . 1 1 26 26 VAL N N 26 119.220 119.220 118.164 1.056 19479 2918 1 8 . 1 1 26 26 VAL HA H 26 3.782 3.782 3.993 -0.211 19479 2919 1 8 . 1 1 26 26 VAL CA C 26 65.845 65.845 64.459 1.386 19479 2920 1 8 . 1 1 26 26 VAL CB C 26 32.717 32.717 32.348 0.369 19479 2921 1 8 . 1 1 26 26 VAL H H 26 8.475 8.475 7.430 1.045 19479 2922 1 8 . 1 1 27 27 LEU N N 27 116.095 116.095 118.031 -1.936 19479 2923 1 8 . 1 1 27 27 LEU HA H 27 4.018 4.018 4.006 0.012 19479 2924 1 8 . 1 1 27 27 LEU CA C 27 55.757 55.757 56.039 -0.282 19479 2925 1 8 . 1 1 27 27 LEU CB C 27 42.504 42.504 41.855 0.649 19479 2926 1 8 . 1 1 27 27 LEU H H 27 9.005 9.005 8.183 0.822 19479 2927 1 8 . 1 1 28 28 GLY N N 28 108.722 108.722 107.035 1.687 19479 2928 1 8 . 1 1 28 28 GLY CA C 28 46.721 46.721 45.447 1.274 19479 2929 1 8 . 1 1 28 28 GLY H H 28 8.056 8.056 8.156 -0.100 19479 2930 1 8 . 1 1 29 29 VAL N N 29 115.103 115.103 116.272 -1.169 19479 2931 1 8 . 1 1 29 29 VAL HA H 29 4.457 4.457 4.836 -0.379 19479 2932 1 8 . 1 1 29 29 VAL CA C 29 59.845 59.845 59.141 0.704 19479 2933 1 8 . 1 1 29 29 VAL CB C 29 35.477 35.477 34.592 0.886 19479 2934 1 8 . 1 1 29 29 VAL H H 29 7.044 7.044 7.557 -0.513 19479 2935 1 8 . 1 1 30 30 SER N N 30 115.417 115.417 113.962 1.455 19479 2936 1 8 . 1 1 30 30 SER HA H 30 4.683 4.683 5.038 -0.355 19479 2937 1 8 . 1 1 30 30 SER CA C 30 56.970 56.970 57.403 -0.433 19479 2938 1 8 . 1 1 30 30 SER CB C 30 65.294 65.294 64.825 0.469 19479 2939 1 8 . 1 1 30 30 SER H H 30 8.151 8.151 8.232 -0.081 19479 2940 1 8 . 1 1 31 31 GLY N N 31 112.008 112.008 112.391 -0.383 19479 2941 1 8 . 1 1 31 31 GLY CA C 31 46.545 46.545 44.848 1.697 19479 2942 1 8 . 1 1 31 31 GLY H H 31 8.573 8.573 9.308 -0.735 19479 2943 1 8 . 1 1 32 32 ILE N N 32 121.204 121.204 122.375 -1.171 19479 2944 1 8 . 1 1 32 32 ILE HA H 32 3.898 3.898 4.271 -0.373 19479 2945 1 8 . 1 1 32 32 ILE CA C 32 63.126 63.126 60.390 2.736 19479 2946 1 8 . 1 1 32 32 ILE CB C 32 38.993 38.993 36.659 2.334 19479 2947 1 8 . 1 1 32 32 ILE H H 32 8.241 8.241 7.617 0.624 19479 2948 1 8 . 1 1 33 33 GLY N N 33 115.038 115.038 114.213 0.825 19479 2949 1 8 . 1 1 33 33 GLY CA C 33 44.330 44.330 43.874 0.456 19479 2950 1 8 . 1 1 33 33 GLY H H 33 8.760 8.760 8.310 0.450 19479 2951 1 8 . 1 1 34 34 ILE N N 34 110.067 110.067 115.698 -5.631 19479 2952 1 8 . 1 1 34 34 ILE HA H 34 4.017 4.017 4.027 -0.010 19479 2953 1 8 . 1 1 34 34 ILE CA C 34 64.500 64.500 63.733 0.767 19479 2954 1 8 . 1 1 34 34 ILE CB C 34 37.731 37.731 38.438 -0.707 19479 2955 1 8 . 1 1 34 34 ILE H H 34 8.566 8.566 8.095 0.471 19479 2956 1 8 . 1 1 35 35 LEU N N 35 117.052 117.052 113.786 3.266 19479 2957 1 8 . 1 1 35 35 LEU HA H 35 4.692 4.692 4.623 0.069 19479 2958 1 8 . 1 1 35 35 LEU CA C 35 53.247 53.247 53.642 -0.395 19479 2959 1 8 . 1 1 35 35 LEU CB C 35 42.094 42.094 41.394 0.700 19479 2960 1 8 . 1 1 35 35 LEU H H 35 8.191 8.191 7.897 0.294 19479 2961 1 8 . 1 1 36 36 ASP N N 36 121.535 121.535 120.619 0.916 19479 2962 1 8 . 1 1 36 36 ASP HA H 36 4.387 4.387 4.489 -0.102 19479 2963 1 8 . 1 1 36 36 ASP CA C 36 55.244 55.244 54.339 0.905 19479 2964 1 8 . 1 1 36 36 ASP CB C 36 41.170 41.170 41.411 -0.241 19479 2965 1 8 . 1 1 36 36 ASP H H 36 7.098 7.098 7.477 -0.379 19479 2966 1 8 . 1 1 37 37 ASN N N 37 123.266 123.266 123.385 -0.119 19479 2967 1 8 . 1 1 37 37 ASN HA H 37 4.954 4.954 5.144 -0.190 19479 2968 1 8 . 1 1 37 37 ASN CA C 37 53.319 53.319 53.485 -0.166 19479 2969 1 8 . 1 1 37 37 ASN CB C 37 39.610 39.610 39.256 0.354 19479 2970 1 8 . 1 1 37 37 ASN H H 37 9.116 9.116 8.431 0.685 19479 2971 1 8 . 1 1 38 38 PHE N N 38 126.469 126.469 127.082 -0.613 19479 2972 1 8 . 1 1 38 38 PHE HA H 38 3.393 3.393 3.910 -0.517 19479 2973 1 8 . 1 1 38 38 PHE CA C 38 61.965 61.965 62.412 -0.447 19479 2974 1 8 . 1 1 38 38 PHE CB C 38 40.851 40.851 38.827 2.024 19479 2975 1 8 . 1 1 38 38 PHE H H 38 9.344 9.344 8.158 1.186 19479 2976 1 8 . 1 1 39 39 PHE N N 39 112.189 112.189 114.231 -2.042 19479 2977 1 8 . 1 1 39 39 PHE HA H 39 3.933 3.933 4.568 -0.635 19479 2978 1 8 . 1 1 39 39 PHE CA C 39 59.682 59.682 60.104 -0.422 19479 2979 1 8 . 1 1 39 39 PHE CB C 39 38.040 38.040 38.378 -0.338 19479 2980 1 8 . 1 1 39 39 PHE H H 39 8.052 8.052 8.044 0.008 19479 2981 1 8 . 1 1 40 40 GLN N N 40 119.928 119.928 120.489 -0.561 19479 2982 1 8 . 1 1 40 40 GLN HA H 40 4.392 4.392 4.181 0.211 19479 2983 1 8 . 1 1 40 40 GLN CA C 40 57.191 57.191 58.116 -0.925 19479 2984 1 8 . 1 1 40 40 GLN CB C 40 29.466 29.466 28.216 1.250 19479 2985 1 8 . 1 1 40 40 GLN H H 40 8.297 8.297 7.970 0.327 19479 2986 1 8 . 1 1 41 41 ILE N N 41 110.997 110.997 117.878 -6.881 19479 2987 1 8 . 1 1 41 41 ILE HA H 41 4.493 4.493 3.987 0.506 19479 2988 1 8 . 1 1 41 41 ILE CA C 41 61.348 61.348 61.576 -0.228 19479 2989 1 8 . 1 1 41 41 ILE CB C 41 37.882 37.882 37.660 0.222 19479 2990 1 8 . 1 1 41 41 ILE H H 41 7.133 7.133 7.430 -0.297 19479 2991 1 8 . 1 1 42 42 GLY N N 42 106.355 106.355 107.222 -0.867 19479 2992 1 8 . 1 1 42 42 GLY CA C 42 44.679 44.679 44.646 0.033 19479 2993 1 8 . 1 1 42 42 GLY H H 42 7.433 7.433 7.645 -0.212 19479 2994 1 8 . 1 1 43 43 GLY N N 43 107.808 107.808 108.848 -1.040 19479 2995 1 8 . 1 1 43 43 GLY CA C 43 45.389 45.389 44.344 1.045 19479 2996 1 8 . 1 1 43 43 GLY H H 43 7.826 7.826 7.482 0.344 19479 2997 1 8 . 1 1 44 44 HIS N N 44 112.337 112.337 117.340 -5.003 19479 2998 1 8 . 1 1 44 44 HIS HA H 44 4.979 4.979 5.052 -0.073 19479 2999 1 8 . 1 1 44 44 HIS CA C 44 54.773 54.773 54.916 -0.144 19479 3000 1 8 . 1 1 44 44 HIS CB C 44 31.867 31.867 30.822 1.046 19479 3001 1 8 . 1 1 44 44 HIS H H 44 6.369 6.369 7.837 -1.468 19479 3002 1 8 . 1 1 45 45 ALA HA H 45 4.264 4.264 4.170 0.094 19479 3003 1 8 . 1 1 45 45 ALA CA C 45 57.581 57.581 55.587 1.994 19479 3004 1 8 . 1 1 45 45 ALA CB C 45 18.718 18.718 18.312 0.406 19479 3005 1 8 . 1 1 46 46 LEU N N 46 117.791 117.791 118.181 -0.390 19479 3006 1 8 . 1 1 46 46 LEU HA H 46 4.420 4.420 4.058 0.362 19479 3007 1 8 . 1 1 46 46 LEU CA C 46 58.559 58.559 58.408 0.151 19479 3008 1 8 . 1 1 46 46 LEU CB C 46 41.652 41.652 42.099 -0.447 19479 3009 1 8 . 1 1 46 46 LEU H H 46 8.807 8.807 8.457 0.350 19479 3010 1 8 . 1 1 47 47 LYS N N 47 118.822 118.822 117.988 0.834 19479 3011 1 8 . 1 1 47 47 LYS HA H 47 4.200 4.200 3.895 0.305 19479 3012 1 8 . 1 1 47 47 LYS CA C 47 58.352 58.352 58.419 -0.067 19479 3013 1 8 . 1 1 47 47 LYS CB C 47 32.994 32.994 31.416 1.578 19479 3014 1 8 . 1 1 47 47 LYS H H 47 7.589 7.589 7.260 0.329 19479 3015 1 8 . 1 1 48 48 ALA N N 48 122.769 122.769 122.267 0.502 19479 3016 1 8 . 1 1 48 48 ALA HA H 48 3.575 3.575 3.519 0.056 19479 3017 1 8 . 1 1 48 48 ALA CA C 48 55.102 55.102 54.860 0.242 19479 3018 1 8 . 1 1 48 48 ALA CB C 48 18.239 18.239 17.914 0.325 19479 3019 1 8 . 1 1 48 48 ALA H H 48 8.736 8.736 8.345 0.391 19479 3020 1 8 . 1 1 49 49 MET N N 49 116.936 116.936 115.917 1.019 19479 3021 1 8 . 1 1 49 49 MET HA H 49 4.169 4.169 4.040 0.129 19479 3022 1 8 . 1 1 49 49 MET CA C 49 58.869 58.869 59.188 -0.319 19479 3023 1 8 . 1 1 49 49 MET CB C 49 32.511 32.511 32.418 0.093 19479 3024 1 8 . 1 1 49 49 MET H H 49 8.000 8.000 7.975 0.025 19479 3025 1 8 . 1 1 50 50 ALA N N 50 123.686 123.686 122.203 1.483 19479 3026 1 8 . 1 1 50 50 ALA HA H 50 4.401 4.401 4.134 0.267 19479 3027 1 8 . 1 1 50 50 ALA CA C 50 55.265 55.265 55.064 0.201 19479 3028 1 8 . 1 1 50 50 ALA CB C 50 18.320 18.320 17.973 0.347 19479 3029 1 8 . 1 1 50 50 ALA H H 50 7.389 7.389 7.417 -0.028 19479 3030 1 8 . 1 1 51 51 VAL N N 51 118.885 118.885 119.053 -0.168 19479 3031 1 8 . 1 1 51 51 VAL HA H 51 3.437 3.437 3.605 -0.168 19479 3032 1 8 . 1 1 51 51 VAL CA C 51 66.975 66.975 66.749 0.226 19479 3033 1 8 . 1 1 51 51 VAL CB C 51 31.268 31.268 31.082 0.185 19479 3034 1 8 . 1 1 51 51 VAL H H 51 7.981 7.981 7.637 0.344 19479 3035 1 8 . 1 1 52 52 ALA N N 52 121.555 121.555 121.670 -0.115 19479 3036 1 8 . 1 1 52 52 ALA HA H 52 3.990 3.990 3.943 0.047 19479 3037 1 8 . 1 1 52 52 ALA CA C 52 56.056 56.056 55.019 1.038 19479 3038 1 8 . 1 1 52 52 ALA CB C 52 18.099 18.099 17.998 0.101 19479 3039 1 8 . 1 1 52 52 ALA H H 52 8.499 8.499 7.790 0.709 19479 3040 1 8 . 1 1 53 53 ALA N N 53 121.958 121.958 122.094 -0.136 19479 3041 1 8 . 1 1 53 53 ALA HA H 53 4.346 4.346 3.978 0.368 19479 3042 1 8 . 1 1 53 53 ALA CA C 53 55.454 55.454 54.885 0.569 19479 3043 1 8 . 1 1 53 53 ALA CB C 53 18.079 18.079 18.350 -0.271 19479 3044 1 8 . 1 1 53 53 ALA H H 53 8.238 8.238 7.591 0.647 19479 3045 1 8 . 1 1 54 54 GLN N N 54 118.520 118.520 118.225 0.295 19479 3046 1 8 . 1 1 54 54 GLN HA H 54 4.157 4.157 4.069 0.088 19479 3047 1 8 . 1 1 54 54 GLN CA C 54 59.303 59.303 58.927 0.376 19479 3048 1 8 . 1 1 54 54 GLN CB C 54 28.684 28.684 28.521 0.163 19479 3049 1 8 . 1 1 54 54 GLN H H 54 7.914 7.914 7.855 0.059 19479 3050 1 8 . 1 1 55 55 VAL N N 55 121.643 121.643 120.577 1.066 19479 3051 1 8 . 1 1 55 55 VAL HA H 55 3.673 3.673 4.096 -0.422 19479 3052 1 8 . 1 1 55 55 VAL CA C 55 67.521 67.521 66.727 0.794 19479 3053 1 8 . 1 1 55 55 VAL CB C 55 31.569 31.569 31.234 0.335 19479 3054 1 8 . 1 1 55 55 VAL H H 55 8.915 8.915 8.643 0.272 19479 3055 1 8 . 1 1 56 56 HIS N N 56 120.993 120.993 120.032 0.961 19479 3056 1 8 . 1 1 56 56 HIS HA H 56 4.314 4.314 4.678 -0.364 19479 3057 1 8 . 1 1 56 56 HIS CA C 56 60.994 60.994 59.243 1.751 19479 3058 1 8 . 1 1 56 56 HIS CB C 56 30.226 30.226 29.924 0.302 19479 3059 1 8 . 1 1 56 56 HIS H H 56 8.328 8.328 8.268 0.060 19479 3060 1 8 . 1 1 57 57 ARG N N 57 119.241 119.241 117.862 1.379 19479 3061 1 8 . 1 1 57 57 ARG HA H 57 3.963 3.963 4.241 -0.278 19479 3062 1 8 . 1 1 57 57 ARG CA C 57 59.269 59.269 58.548 0.721 19479 3063 1 8 . 1 1 57 57 ARG CB C 57 30.220 30.220 29.937 0.283 19479 3064 1 8 . 1 1 57 57 ARG H H 57 7.849 7.849 8.222 -0.373 19479 3065 1 8 . 1 1 58 58 GLU N N 58 116.079 116.079 118.772 -2.693 19479 3066 1 8 . 1 1 58 58 GLU HA H 58 3.944 3.944 4.101 -0.157 19479 3067 1 8 . 1 1 58 58 GLU CA C 58 58.351 58.351 58.377 -0.026 19479 3068 1 8 . 1 1 58 58 GLU CB C 58 30.571 30.571 30.520 0.051 19479 3069 1 8 . 1 1 58 58 GLU H H 58 7.874 7.874 8.101 -0.227 19479 3070 1 8 . 1 1 59 59 TYR N N 59 112.274 112.274 116.000 -3.726 19479 3071 1 8 . 1 1 59 59 TYR HA H 59 4.686 4.686 4.600 0.086 19479 3072 1 8 . 1 1 59 59 TYR CA C 59 58.616 58.616 58.167 0.449 19479 3073 1 8 . 1 1 59 59 TYR CB C 59 40.589 40.589 38.404 2.185 19479 3074 1 8 . 1 1 59 59 TYR H H 59 8.303 8.303 8.123 0.180 19479 3075 1 8 . 1 1 60 60 GLN N N 60 115.629 115.629 114.235 1.394 19479 3076 1 8 . 1 1 60 60 GLN HA H 60 3.481 3.481 4.257 -0.776 19479 3077 1 8 . 1 1 60 60 GLN CA C 60 57.418 57.418 56.686 0.732 19479 3078 1 8 . 1 1 60 60 GLN CB C 60 25.628 25.628 26.652 -1.024 19479 3079 1 8 . 1 1 60 60 GLN H H 60 8.382 8.382 7.902 0.480 19479 3080 1 8 . 1 1 61 61 VAL N N 61 114.547 114.547 117.610 -3.063 19479 3081 1 8 . 1 1 61 61 VAL HA H 61 4.347 4.347 4.189 0.158 19479 3082 1 8 . 1 1 61 61 VAL CA C 61 60.118 60.118 60.136 -0.018 19479 3083 1 8 . 1 1 61 61 VAL CB C 61 35.547 35.547 34.951 0.596 19479 3084 1 8 . 1 1 61 61 VAL H H 61 6.532 6.532 7.489 -0.957 19479 3085 1 8 . 1 1 62 62 GLU N N 62 125.938 125.938 128.952 -3.014 19479 3086 1 8 . 1 1 62 62 GLU HA H 62 4.270 4.270 3.659 0.611 19479 3087 1 8 . 1 1 62 62 GLU CA C 62 55.857 55.857 56.724 -0.867 19479 3088 1 8 . 1 1 62 62 GLU CB C 62 30.334 30.334 30.417 -0.083 19479 3089 1 8 . 1 1 62 62 GLU H H 62 8.741 8.741 8.462 0.279 19479 3090 1 8 . 1 1 63 63 LEU N N 63 127.837 127.837 129.453 -1.616 19479 3091 1 8 . 1 1 63 63 LEU HA H 63 4.845 4.845 4.770 0.075 19479 3092 1 8 . 1 1 63 63 LEU CA C 63 50.751 50.751 50.551 0.200 19479 3093 1 8 . 1 1 63 63 LEU CB C 63 43.313 43.313 43.012 0.301 19479 3094 1 8 . 1 1 63 63 LEU H H 63 8.939 8.939 8.421 0.518 19479 3095 1 8 . 1 1 64 64 PRO HA H 64 4.446 4.446 4.504 -0.058 19479 3096 1 8 . 1 1 64 64 PRO CA C 64 62.060 62.060 61.735 0.325 19479 3097 1 8 . 1 1 64 64 PRO CB C 64 32.346 32.346 32.897 -0.551 19479 3098 1 8 . 1 1 65 65 LEU N N 65 126.325 126.325 123.000 3.325 19479 3099 1 8 . 1 1 65 65 LEU HA H 65 3.772 3.772 3.971 -0.199 19479 3100 1 8 . 1 1 65 65 LEU CA C 65 58.426 58.426 57.451 0.975 19479 3101 1 8 . 1 1 65 65 LEU CB C 65 40.688 40.688 41.596 -0.908 19479 3102 1 8 . 1 1 65 65 LEU H H 65 8.746 8.746 8.791 -0.045 19479 3103 1 8 . 1 1 66 66 LYS N N 66 114.157 114.157 117.497 -3.340 19479 3104 1 8 . 1 1 66 66 LYS HA H 66 3.999 3.999 4.423 -0.424 19479 3105 1 8 . 1 1 66 66 LYS CA C 66 59.383 59.383 59.376 0.007 19479 3106 1 8 . 1 1 66 66 LYS CB C 66 32.166 32.166 31.695 0.471 19479 3107 1 8 . 1 1 66 66 LYS H H 66 8.551 8.551 8.086 0.465 19479 3108 1 8 . 1 1 67 67 VAL N N 67 119.827 119.827 120.194 -0.367 19479 3109 1 8 . 1 1 67 67 VAL HA H 67 3.611 3.611 3.805 -0.194 19479 3110 1 8 . 1 1 67 67 VAL CA C 67 65.655 65.655 65.062 0.593 19479 3111 1 8 . 1 1 67 67 VAL CB C 67 31.425 31.425 31.350 0.075 19479 3112 1 8 . 1 1 67 67 VAL H H 67 7.190 7.190 7.749 -0.559 19479 3113 1 8 . 1 1 68 68 LEU N N 68 120.867 120.867 122.628 -1.761 19479 3114 1 8 . 1 1 68 68 LEU HA H 68 3.922 3.922 3.927 -0.005 19479 3115 1 8 . 1 1 68 68 LEU CA C 68 58.322 58.322 57.992 0.330 19479 3116 1 8 . 1 1 68 68 LEU CB C 68 41.911 41.911 41.100 0.811 19479 3117 1 8 . 1 1 68 68 LEU H H 68 6.936 6.936 7.399 -0.463 19479 3118 1 8 . 1 1 69 69 PHE N N 69 112.682 112.682 117.111 -4.429 19479 3119 1 8 . 1 1 69 69 PHE HA H 69 4.265 4.265 4.720 -0.455 19479 3120 1 8 . 1 1 69 69 PHE CA C 69 60.265 60.265 60.236 0.029 19479 3121 1 8 . 1 1 69 69 PHE CB C 69 38.725 38.725 38.815 -0.090 19479 3122 1 8 . 1 1 69 69 PHE H H 69 8.201 8.201 8.698 -0.497 19479 3123 1 8 . 1 1 70 70 ALA N N 70 118.803 118.803 121.004 -2.201 19479 3124 1 8 . 1 1 70 70 ALA HA H 70 4.302 4.302 3.675 0.627 19479 3125 1 8 . 1 1 70 70 ALA CA C 70 54.025 54.025 52.960 1.065 19479 3126 1 8 . 1 1 70 70 ALA CB C 70 19.656 19.656 19.820 -0.164 19479 3127 1 8 . 1 1 70 70 ALA H H 70 7.448 7.448 7.183 0.265 19479 3128 1 8 . 1 1 71 71 GLN N N 71 116.280 116.280 116.538 -0.258 19479 3129 1 8 . 1 1 71 71 GLN HA H 71 4.848 4.848 4.760 0.088 19479 3130 1 8 . 1 1 71 71 GLN CA C 71 53.120 53.120 52.606 0.514 19479 3131 1 8 . 1 1 71 71 GLN CB C 71 29.026 29.026 29.046 -0.020 19479 3132 1 8 . 1 1 71 71 GLN H H 71 7.561 7.561 7.893 -0.332 19479 3133 1 8 . 1 1 72 72 PRO HA H 72 4.989 4.989 4.605 0.384 19479 3134 1 8 . 1 1 72 72 PRO CA C 72 64.307 64.307 63.191 1.116 19479 3135 1 8 . 1 1 72 72 PRO CB C 72 30.240 30.240 30.504 -0.264 19479 3136 1 8 . 1 1 73 73 THR N N 73 109.972 109.972 111.954 -1.982 19479 3137 1 8 . 1 1 73 73 THR HA H 73 5.198 5.198 5.296 -0.098 19479 3138 1 8 . 1 1 73 73 THR CA C 73 59.292 59.292 59.589 -0.297 19479 3139 1 8 . 1 1 73 73 THR CB C 73 72.314 72.314 72.976 -0.662 19479 3140 1 8 . 1 1 73 73 THR H H 73 8.303 8.303 8.088 0.215 19479 3141 1 8 . 1 1 74 74 ILE N N 74 125.105 125.105 123.764 1.341 19479 3142 1 8 . 1 1 74 74 ILE HA H 74 3.061 3.061 3.273 -0.212 19479 3143 1 8 . 1 1 74 74 ILE CA C 74 66.019 66.019 64.059 1.960 19479 3144 1 8 . 1 1 74 74 ILE CB C 74 37.443 37.443 36.673 0.770 19479 3145 1 8 . 1 1 74 74 ILE H H 74 9.908 9.908 8.538 1.370 19479 3146 1 8 . 1 1 75 75 LYS N N 75 119.445 119.445 121.119 -1.674 19479 3147 1 8 . 1 1 75 75 LYS HA H 75 3.797 3.797 4.028 -0.231 19479 3148 1 8 . 1 1 75 75 LYS CA C 75 60.205 60.205 60.286 -0.081 19479 3149 1 8 . 1 1 75 75 LYS CB C 75 33.098 33.098 32.101 0.997 19479 3150 1 8 . 1 1 75 75 LYS H H 75 9.024 9.024 8.053 0.971 19479 3151 1 8 . 1 1 76 76 ALA N N 76 119.581 119.581 120.927 -1.346 19479 3152 1 8 . 1 1 76 76 ALA HA H 76 4.216 4.216 4.108 0.108 19479 3153 1 8 . 1 1 76 76 ALA CA C 76 54.809 54.809 54.837 -0.028 19479 3154 1 8 . 1 1 76 76 ALA CB C 76 19.422 19.422 18.244 1.178 19479 3155 1 8 . 1 1 76 76 ALA H H 76 7.621 7.621 7.555 0.066 19479 3156 1 8 . 1 1 77 77 LEU N N 77 121.833 121.833 118.935 2.898 19479 3157 1 8 . 1 1 77 77 LEU HA H 77 4.097 4.097 3.988 0.109 19479 3158 1 8 . 1 1 77 77 LEU CA C 77 57.612 57.612 57.480 0.132 19479 3159 1 8 . 1 1 77 77 LEU CB C 77 42.192 42.192 41.436 0.756 19479 3160 1 8 . 1 1 77 77 LEU H H 77 8.915 8.915 7.845 1.070 19479 3161 1 8 . 1 1 78 78 ALA N N 78 120.481 120.481 122.353 -1.872 19479 3162 1 8 . 1 1 78 78 ALA HA H 78 3.751 3.751 3.820 -0.069 19479 3163 1 8 . 1 1 78 78 ALA CA C 78 55.117 55.117 55.333 -0.216 19479 3164 1 8 . 1 1 78 78 ALA CB C 78 19.603 19.603 18.131 1.472 19479 3165 1 8 . 1 1 78 78 ALA H H 78 9.393 9.393 8.727 0.666 19479 3166 1 8 . 1 1 79 79 GLN N N 79 117.799 117.799 117.821 -0.022 19479 3167 1 8 . 1 1 79 79 GLN HA H 79 4.069 4.069 4.050 0.019 19479 3168 1 8 . 1 1 79 79 GLN CA C 79 58.790 58.790 58.686 0.104 19479 3169 1 8 . 1 1 79 79 GLN CB C 79 28.256 28.256 28.953 -0.697 19479 3170 1 8 . 1 1 79 79 GLN H H 79 7.179 7.179 8.085 -0.906 19479 3171 1 8 . 1 1 80 80 TYR N N 80 121.754 121.754 121.761 -0.007 19479 3172 1 8 . 1 1 80 80 TYR HA H 80 3.982 3.982 4.144 -0.162 19479 3173 1 8 . 1 1 80 80 TYR CA C 80 61.965 61.965 61.410 0.555 19479 3174 1 8 . 1 1 80 80 TYR CB C 80 38.227 38.227 38.578 -0.351 19479 3175 1 8 . 1 1 80 80 TYR H H 80 7.716 7.716 7.937 -0.221 19479 3176 1 8 . 1 1 81 81 VAL N N 81 117.864 117.864 118.749 -0.885 19479 3177 1 8 . 1 1 81 81 VAL HA H 81 3.264 3.264 3.470 -0.206 19479 3178 1 8 . 1 1 81 81 VAL CA C 81 66.719 66.719 66.026 0.693 19479 3179 1 8 . 1 1 81 81 VAL CB C 81 32.032 32.032 31.636 0.397 19479 3180 1 8 . 1 1 81 81 VAL H H 81 8.536 8.536 8.544 -0.008 19479 3181 1 8 . 1 1 82 82 ALA N N 82 121.044 121.044 122.632 -1.588 19479 3182 1 8 . 1 1 82 82 ALA HA H 82 3.931 3.931 4.020 -0.089 19479 3183 1 8 . 1 1 82 82 ALA CA C 82 55.130 55.130 55.544 -0.414 19479 3184 1 8 . 1 1 82 82 ALA CB C 82 18.588 18.588 18.343 0.245 19479 3185 1 8 . 1 1 82 82 ALA H H 82 8.420 8.420 8.354 0.066 19479 3186 1 8 . 1 1 83 83 THR N N 83 109.020 109.020 111.006 -1.986 19479 3187 1 8 . 1 1 83 83 THR HA H 83 4.081 4.081 4.177 -0.096 19479 3188 1 8 . 1 1 83 83 THR CA C 83 64.388 64.388 64.514 -0.126 19479 3189 1 8 . 1 1 83 83 THR CB C 83 69.529 69.529 68.907 0.622 19479 3190 1 8 . 1 1 83 83 THR H H 83 7.558 7.558 7.899 -0.341 19479 3191 1 8 . 1 1 84 84 ARG N N 84 119.856 119.856 118.649 1.207 19479 3192 1 8 . 1 1 84 84 ARG HA H 84 4.199 4.199 4.321 -0.122 19479 3193 1 8 . 1 1 84 84 ARG CA C 84 56.279 56.279 57.507 -1.228 19479 3194 1 8 . 1 1 84 84 ARG CB C 84 30.866 30.866 30.643 0.223 19479 3195 1 8 . 1 1 84 84 ARG H H 84 7.368 7.368 7.421 -0.053 19479 3196 1 8 . 1 1 85 85 SER N N 85 114.607 114.607 115.053 -0.446 19479 3197 1 8 . 1 1 85 85 SER HA H 85 4.301 4.301 4.375 -0.074 19479 3198 1 8 . 1 1 85 85 SER CA C 85 58.927 58.927 59.373 -0.446 19479 3199 1 8 . 1 1 85 85 SER CB C 85 63.778 63.778 63.421 0.357 19479 3200 1 8 . 1 1 85 85 SER H H 85 7.783 7.783 8.069 -0.286 19479 3201 1 8 . 1 1 86 86 HIS HA H 86 4.608 4.608 4.875 -0.267 19479 3202 1 8 . 1 1 86 86 HIS CA C 86 56.102 56.102 55.334 0.768 19479 3203 1 8 . 1 1 86 86 HIS CB C 86 30.233 30.233 29.813 0.420 19479 3204 1 8 . 1 1 87 87 HIS N N 87 125.453 125.453 124.059 1.394 19479 3205 1 8 . 1 1 87 87 HIS HA H 87 4.421 4.421 4.277 0.144 19479 3206 1 8 . 1 1 87 87 HIS CA C 87 57.381 57.381 57.022 0.359 19479 3207 1 8 . 1 1 87 87 HIS CB C 87 30.430 30.430 29.965 0.465 19479 3208 1 8 . 1 1 87 87 HIS H H 87 8.102 8.102 8.564 -0.462 19479 3209 1 9 . 1 1 3 3 VAL HA H 3 4.160 4.160 4.516 -0.356 19479 3210 1 9 . 1 1 3 3 VAL CA C 3 63.130 63.130 60.527 2.603 19479 3211 1 9 . 1 1 3 3 VAL CB C 3 32.605 32.605 33.407 -0.802 19479 3212 1 9 . 1 1 4 4 THR N N 4 117.074 117.074 116.708 0.366 19479 3213 1 9 . 1 1 4 4 THR HA H 4 4.454 4.454 4.611 -0.157 19479 3214 1 9 . 1 1 4 4 THR CA C 4 61.454 61.454 62.201 -0.747 19479 3215 1 9 . 1 1 4 4 THR CB C 4 70.203 70.203 69.918 0.284 19479 3216 1 9 . 1 1 4 4 THR H H 4 8.269 8.269 8.386 -0.117 19479 3217 1 9 . 1 1 5 5 GLU N N 5 122.628 122.628 122.325 0.303 19479 3218 1 9 . 1 1 5 5 GLU HA H 5 4.305 4.305 4.542 -0.237 19479 3219 1 9 . 1 1 5 5 GLU CA C 5 56.689 56.689 55.715 0.974 19479 3220 1 9 . 1 1 5 5 GLU CB C 5 30.297 30.297 30.434 -0.137 19479 3221 1 9 . 1 1 5 5 GLU H H 5 8.465 8.465 8.600 -0.135 19479 3222 1 9 . 1 1 6 6 ALA N N 6 124.915 124.915 123.458 1.457 19479 3223 1 9 . 1 1 6 6 ALA HA H 6 4.301 4.301 4.318 -0.017 19479 3224 1 9 . 1 1 6 6 ALA CA C 6 52.392 52.392 52.071 0.321 19479 3225 1 9 . 1 1 6 6 ALA CB C 6 19.520 19.520 19.481 0.039 19479 3226 1 9 . 1 1 6 6 ALA H H 6 8.333 8.333 7.679 0.654 19479 3227 1 9 . 1 1 7 7 GLN N N 7 120.476 120.476 118.719 1.757 19479 3228 1 9 . 1 1 7 7 GLN HA H 7 4.275 4.275 4.349 -0.074 19479 3229 1 9 . 1 1 7 7 GLN CA C 7 55.512 55.512 55.301 0.211 19479 3230 1 9 . 1 1 7 7 GLN CB C 7 29.495 29.495 29.593 -0.098 19479 3231 1 9 . 1 1 7 7 GLN H H 7 8.340 8.340 8.407 -0.067 19479 3232 1 9 . 1 1 8 8 TYR N N 8 124.499 124.499 121.341 3.158 19479 3233 1 9 . 1 1 8 8 TYR HA H 8 4.386 4.386 4.349 0.037 19479 3234 1 9 . 1 1 8 8 TYR CA C 8 60.233 60.233 58.809 1.424 19479 3235 1 9 . 1 1 8 8 TYR CB C 8 38.173 38.173 38.052 0.121 19479 3236 1 9 . 1 1 8 8 TYR H H 8 8.506 8.506 8.574 -0.068 19479 3237 1 9 . 1 1 9 9 VAL N N 9 130.011 130.011 130.269 -0.258 19479 3238 1 9 . 1 1 9 9 VAL HA H 9 3.748 3.748 3.796 -0.048 19479 3239 1 9 . 1 1 9 9 VAL CA C 9 61.317 61.317 60.155 1.162 19479 3240 1 9 . 1 1 9 9 VAL CB C 9 34.738 34.738 34.896 -0.158 19479 3241 1 9 . 1 1 9 9 VAL H H 9 6.756 6.756 7.856 -1.100 19479 3242 1 9 . 1 1 10 10 ALA N N 10 130.264 130.264 128.469 1.795 19479 3243 1 9 . 1 1 10 10 ALA HA H 10 4.172 4.172 4.743 -0.571 19479 3244 1 9 . 1 1 10 10 ALA CA C 10 50.602 50.602 50.910 -0.308 19479 3245 1 9 . 1 1 10 10 ALA CB C 10 17.676 17.676 18.371 -0.695 19479 3246 1 9 . 1 1 10 10 ALA H H 10 8.125 8.125 8.015 0.110 19479 3247 1 9 . 1 1 11 11 PRO HA H 11 4.186 4.186 4.366 -0.180 19479 3248 1 9 . 1 1 11 11 PRO CA C 11 63.808 63.808 62.984 0.824 19479 3249 1 9 . 1 1 11 11 PRO CB C 11 32.674 32.674 32.073 0.601 19479 3250 1 9 . 1 1 12 12 THR N N 12 113.591 113.591 111.062 2.529 19479 3251 1 9 . 1 1 12 12 THR HA H 12 4.469 4.469 4.379 0.090 19479 3252 1 9 . 1 1 12 12 THR CA C 12 61.950 61.950 62.002 -0.052 19479 3253 1 9 . 1 1 12 12 THR CB C 12 71.622 71.622 69.481 2.142 19479 3254 1 9 . 1 1 12 12 THR H H 12 9.701 9.701 7.866 1.835 19479 3255 1 9 . 1 1 13 13 ASN N N 13 116.088 116.088 118.873 -2.785 19479 3256 1 9 . 1 1 13 13 ASN HA H 13 4.771 4.771 4.883 -0.112 19479 3257 1 9 . 1 1 13 13 ASN CA C 13 51.947 51.947 51.538 0.409 19479 3258 1 9 . 1 1 13 13 ASN CB C 13 39.736 39.736 40.681 -0.945 19479 3259 1 9 . 1 1 13 13 ASN H H 13 7.423 7.423 7.820 -0.397 19479 3260 1 9 . 1 1 14 14 ALA HA H 14 4.136 4.136 4.227 -0.091 19479 3261 1 9 . 1 1 14 14 ALA CA C 14 55.484 55.484 54.729 0.755 19479 3262 1 9 . 1 1 14 14 ALA CB C 14 19.020 19.020 18.737 0.283 19479 3263 1 9 . 1 1 15 15 VAL N N 15 120.332 120.332 118.874 1.458 19479 3264 1 9 . 1 1 15 15 VAL HA H 15 4.191 4.191 3.826 0.365 19479 3265 1 9 . 1 1 15 15 VAL CA C 15 65.158 65.158 66.001 -0.843 19479 3266 1 9 . 1 1 15 15 VAL CB C 15 31.513 31.513 31.440 0.073 19479 3267 1 9 . 1 1 15 15 VAL H H 15 7.938 7.938 8.111 -0.173 19479 3268 1 9 . 1 1 16 16 GLU N N 16 118.751 118.751 119.854 -1.103 19479 3269 1 9 . 1 1 16 16 GLU HA H 16 3.550 3.550 3.945 -0.395 19479 3270 1 9 . 1 1 16 16 GLU CA C 16 59.495 59.495 59.943 -0.448 19479 3271 1 9 . 1 1 16 16 GLU CB C 16 30.851 30.851 29.056 1.795 19479 3272 1 9 . 1 1 16 16 GLU H H 16 8.470 8.470 8.624 -0.154 19479 3273 1 9 . 1 1 17 17 SER N N 17 112.637 112.637 113.524 -0.887 19479 3274 1 9 . 1 1 17 17 SER HA H 17 3.968 3.968 4.166 -0.198 19479 3275 1 9 . 1 1 17 17 SER CA C 17 62.523 62.523 60.962 1.561 19479 3276 1 9 . 1 1 17 17 SER CB C 17 62.669 62.669 62.761 -0.092 19479 3277 1 9 . 1 1 17 17 SER H H 17 8.386 8.386 8.304 0.082 19479 3278 1 9 . 1 1 18 18 LYS N N 18 124.394 124.394 121.661 2.733 19479 3279 1 9 . 1 1 18 18 LYS HA H 18 4.287 4.287 4.135 0.152 19479 3280 1 9 . 1 1 18 18 LYS CA C 18 57.421 57.421 58.947 -1.526 19479 3281 1 9 . 1 1 18 18 LYS CB C 18 30.018 30.018 32.492 -2.474 19479 3282 1 9 . 1 1 18 18 LYS H H 18 8.104 8.104 7.530 0.574 19479 3283 1 9 . 1 1 19 19 LEU N N 19 118.589 118.589 119.835 -1.246 19479 3284 1 9 . 1 1 19 19 LEU HA H 19 4.027 4.027 4.014 0.013 19479 3285 1 9 . 1 1 19 19 LEU CA C 19 58.178 58.178 58.218 -0.040 19479 3286 1 9 . 1 1 19 19 LEU CB C 19 42.135 42.135 41.480 0.655 19479 3287 1 9 . 1 1 19 19 LEU H H 19 8.742 8.742 7.792 0.950 19479 3288 1 9 . 1 1 20 20 ALA N N 20 121.037 121.037 119.326 1.711 19479 3289 1 9 . 1 1 20 20 ALA HA H 20 3.775 3.775 3.666 0.109 19479 3290 1 9 . 1 1 20 20 ALA CA C 20 56.194 56.194 54.823 1.371 19479 3291 1 9 . 1 1 20 20 ALA CB C 20 16.862 16.862 18.129 -1.267 19479 3292 1 9 . 1 1 20 20 ALA H H 20 8.199 8.199 7.977 0.222 19479 3293 1 9 . 1 1 21 21 GLU N N 21 118.948 118.948 117.989 0.959 19479 3294 1 9 . 1 1 21 21 GLU HA H 21 4.129 4.129 4.094 0.035 19479 3295 1 9 . 1 1 21 21 GLU CA C 21 59.788 59.788 59.055 0.733 19479 3296 1 9 . 1 1 21 21 GLU CB C 21 29.887 29.887 29.694 0.193 19479 3297 1 9 . 1 1 21 21 GLU H H 21 7.716 7.716 7.609 0.107 19479 3298 1 9 . 1 1 22 22 ILE N N 22 120.355 120.355 120.089 0.266 19479 3299 1 9 . 1 1 22 22 ILE HA H 22 3.780 3.780 3.931 -0.151 19479 3300 1 9 . 1 1 22 22 ILE CA C 22 65.850 65.850 62.975 2.875 19479 3301 1 9 . 1 1 22 22 ILE CB C 22 38.677 38.677 36.759 1.918 19479 3302 1 9 . 1 1 22 22 ILE H H 22 8.409 8.409 7.300 1.109 19479 3303 1 9 . 1 1 23 23 TRP N N 23 120.272 120.272 119.463 0.809 19479 3304 1 9 . 1 1 23 23 TRP HA H 23 4.191 4.191 4.332 -0.141 19479 3305 1 9 . 1 1 23 23 TRP CA C 23 61.819 61.819 61.411 0.408 19479 3306 1 9 . 1 1 23 23 TRP CB C 23 29.177 29.177 28.152 1.025 19479 3307 1 9 . 1 1 23 23 TRP H H 23 9.551 9.551 8.029 1.522 19479 3308 1 9 . 1 1 24 24 GLU N N 24 119.281 119.281 118.372 0.909 19479 3309 1 9 . 1 1 24 24 GLU HA H 24 4.210 4.210 4.046 0.164 19479 3310 1 9 . 1 1 24 24 GLU CA C 24 60.695 60.695 59.867 0.828 19479 3311 1 9 . 1 1 24 24 GLU CB C 24 29.397 29.397 28.994 0.403 19479 3312 1 9 . 1 1 24 24 GLU H H 24 9.039 9.039 8.269 0.770 19479 3313 1 9 . 1 1 25 25 ARG N N 25 119.408 119.408 118.731 0.677 19479 3314 1 9 . 1 1 25 25 ARG HA H 25 4.205 4.205 4.184 0.021 19479 3315 1 9 . 1 1 25 25 ARG CA C 25 59.015 59.015 58.386 0.629 19479 3316 1 9 . 1 1 25 25 ARG CB C 25 30.246 30.246 29.544 0.702 19479 3317 1 9 . 1 1 25 25 ARG H H 25 8.060 8.060 7.772 0.288 19479 3318 1 9 . 1 1 26 26 VAL N N 26 119.220 119.220 118.430 0.790 19479 3319 1 9 . 1 1 26 26 VAL HA H 26 3.782 3.782 3.972 -0.190 19479 3320 1 9 . 1 1 26 26 VAL CA C 26 65.845 65.845 64.876 0.969 19479 3321 1 9 . 1 1 26 26 VAL CB C 26 32.717 32.717 32.176 0.541 19479 3322 1 9 . 1 1 26 26 VAL H H 26 8.475 8.475 7.300 1.175 19479 3323 1 9 . 1 1 27 27 LEU N N 27 116.095 116.095 115.508 0.587 19479 3324 1 9 . 1 1 27 27 LEU HA H 27 4.018 4.018 4.046 -0.028 19479 3325 1 9 . 1 1 27 27 LEU CA C 27 55.757 55.757 55.714 0.043 19479 3326 1 9 . 1 1 27 27 LEU CB C 27 42.504 42.504 42.061 0.443 19479 3327 1 9 . 1 1 27 27 LEU H H 27 9.005 9.005 8.346 0.659 19479 3328 1 9 . 1 1 28 28 GLY N N 28 108.722 108.722 106.758 1.964 19479 3329 1 9 . 1 1 28 28 GLY CA C 28 46.721 46.721 45.381 1.340 19479 3330 1 9 . 1 1 28 28 GLY H H 28 8.056 8.056 7.942 0.114 19479 3331 1 9 . 1 1 29 29 VAL N N 29 115.103 115.103 115.686 -0.583 19479 3332 1 9 . 1 1 29 29 VAL HA H 29 4.457 4.457 4.650 -0.193 19479 3333 1 9 . 1 1 29 29 VAL CA C 29 59.845 59.845 59.332 0.513 19479 3334 1 9 . 1 1 29 29 VAL CB C 29 35.477 35.477 33.866 1.611 19479 3335 1 9 . 1 1 29 29 VAL H H 29 7.044 7.044 7.351 -0.307 19479 3336 1 9 . 1 1 30 30 SER N N 30 115.417 115.417 116.398 -0.981 19479 3337 1 9 . 1 1 30 30 SER HA H 30 4.683 4.683 4.765 -0.082 19479 3338 1 9 . 1 1 30 30 SER CA C 30 56.970 56.970 58.097 -1.127 19479 3339 1 9 . 1 1 30 30 SER CB C 30 65.294 65.294 63.763 1.531 19479 3340 1 9 . 1 1 30 30 SER H H 30 8.151 8.151 8.253 -0.102 19479 3341 1 9 . 1 1 31 31 GLY N N 31 112.008 112.008 116.351 -4.343 19479 3342 1 9 . 1 1 31 31 GLY CA C 31 46.545 46.545 44.777 1.768 19479 3343 1 9 . 1 1 31 31 GLY H H 31 8.573 8.573 9.361 -0.788 19479 3344 1 9 . 1 1 32 32 ILE N N 32 121.204 121.204 121.275 -0.071 19479 3345 1 9 . 1 1 32 32 ILE HA H 32 3.898 3.898 4.523 -0.625 19479 3346 1 9 . 1 1 32 32 ILE CA C 32 63.126 63.126 59.299 3.827 19479 3347 1 9 . 1 1 32 32 ILE CB C 32 38.993 38.993 38.031 0.962 19479 3348 1 9 . 1 1 32 32 ILE H H 32 8.241 8.241 7.750 0.491 19479 3349 1 9 . 1 1 33 33 GLY N N 33 115.038 115.038 112.983 2.055 19479 3350 1 9 . 1 1 33 33 GLY CA C 33 44.330 44.330 43.464 0.866 19479 3351 1 9 . 1 1 33 33 GLY H H 33 8.760 8.760 9.107 -0.347 19479 3352 1 9 . 1 1 34 34 ILE N N 34 110.067 110.067 116.266 -6.199 19479 3353 1 9 . 1 1 34 34 ILE HA H 34 4.017 4.017 4.096 -0.079 19479 3354 1 9 . 1 1 34 34 ILE CA C 34 64.500 64.500 63.856 0.644 19479 3355 1 9 . 1 1 34 34 ILE CB C 34 37.731 37.731 38.570 -0.839 19479 3356 1 9 . 1 1 34 34 ILE H H 34 8.566 8.566 8.663 -0.097 19479 3357 1 9 . 1 1 35 35 LEU N N 35 117.052 117.052 113.650 3.402 19479 3358 1 9 . 1 1 35 35 LEU HA H 35 4.692 4.692 4.687 0.005 19479 3359 1 9 . 1 1 35 35 LEU CA C 35 53.247 53.247 53.599 -0.352 19479 3360 1 9 . 1 1 35 35 LEU CB C 35 42.094 42.094 41.266 0.828 19479 3361 1 9 . 1 1 35 35 LEU H H 35 8.191 8.191 7.931 0.260 19479 3362 1 9 . 1 1 36 36 ASP N N 36 121.535 121.535 120.327 1.208 19479 3363 1 9 . 1 1 36 36 ASP HA H 36 4.387 4.387 4.572 -0.185 19479 3364 1 9 . 1 1 36 36 ASP CA C 36 55.244 55.244 53.102 2.142 19479 3365 1 9 . 1 1 36 36 ASP CB C 36 41.170 41.170 41.713 -0.543 19479 3366 1 9 . 1 1 36 36 ASP H H 36 7.098 7.098 7.578 -0.480 19479 3367 1 9 . 1 1 37 37 ASN N N 37 123.266 123.266 122.618 0.648 19479 3368 1 9 . 1 1 37 37 ASN HA H 37 4.954 4.954 5.037 -0.083 19479 3369 1 9 . 1 1 37 37 ASN CA C 37 53.319 53.319 53.350 -0.031 19479 3370 1 9 . 1 1 37 37 ASN CB C 37 39.610 39.610 38.471 1.139 19479 3371 1 9 . 1 1 37 37 ASN H H 37 9.116 9.116 8.754 0.362 19479 3372 1 9 . 1 1 38 38 PHE N N 38 126.469 126.469 127.270 -0.801 19479 3373 1 9 . 1 1 38 38 PHE HA H 38 3.393 3.393 3.789 -0.396 19479 3374 1 9 . 1 1 38 38 PHE CA C 38 61.965 61.965 62.667 -0.702 19479 3375 1 9 . 1 1 38 38 PHE CB C 38 40.851 40.851 38.844 2.007 19479 3376 1 9 . 1 1 38 38 PHE H H 38 9.344 9.344 8.736 0.608 19479 3377 1 9 . 1 1 39 39 PHE N N 39 112.189 112.189 115.073 -2.884 19479 3378 1 9 . 1 1 39 39 PHE HA H 39 3.933 3.933 4.416 -0.483 19479 3379 1 9 . 1 1 39 39 PHE CA C 39 59.682 59.682 60.773 -1.091 19479 3380 1 9 . 1 1 39 39 PHE CB C 39 38.040 38.040 38.473 -0.433 19479 3381 1 9 . 1 1 39 39 PHE H H 39 8.052 8.052 8.033 0.019 19479 3382 1 9 . 1 1 40 40 GLN N N 40 119.928 119.928 120.340 -0.412 19479 3383 1 9 . 1 1 40 40 GLN HA H 40 4.392 4.392 4.164 0.228 19479 3384 1 9 . 1 1 40 40 GLN CA C 40 57.191 57.191 58.345 -1.154 19479 3385 1 9 . 1 1 40 40 GLN CB C 40 29.466 29.466 28.564 0.902 19479 3386 1 9 . 1 1 40 40 GLN H H 40 8.297 8.297 8.016 0.281 19479 3387 1 9 . 1 1 41 41 ILE N N 41 110.997 110.997 116.805 -5.808 19479 3388 1 9 . 1 1 41 41 ILE HA H 41 4.493 4.493 3.923 0.570 19479 3389 1 9 . 1 1 41 41 ILE CA C 41 61.348 61.348 62.114 -0.766 19479 3390 1 9 . 1 1 41 41 ILE CB C 41 37.882 37.882 38.176 -0.294 19479 3391 1 9 . 1 1 41 41 ILE H H 41 7.133 7.133 7.655 -0.522 19479 3392 1 9 . 1 1 42 42 GLY N N 42 106.355 106.355 106.423 -0.068 19479 3393 1 9 . 1 1 42 42 GLY CA C 42 44.679 44.679 44.636 0.043 19479 3394 1 9 . 1 1 42 42 GLY H H 42 7.433 7.433 7.503 -0.070 19479 3395 1 9 . 1 1 43 43 GLY N N 43 107.808 107.808 107.342 0.466 19479 3396 1 9 . 1 1 43 43 GLY CA C 43 45.389 45.389 43.735 1.654 19479 3397 1 9 . 1 1 43 43 GLY H H 43 7.826 7.826 7.490 0.336 19479 3398 1 9 . 1 1 44 44 HIS N N 44 112.337 112.337 117.425 -5.088 19479 3399 1 9 . 1 1 44 44 HIS HA H 44 4.979 4.979 5.043 -0.064 19479 3400 1 9 . 1 1 44 44 HIS CA C 44 54.773 54.773 54.919 -0.146 19479 3401 1 9 . 1 1 44 44 HIS CB C 44 31.867 31.867 30.914 0.953 19479 3402 1 9 . 1 1 44 44 HIS H H 44 6.369 6.369 7.871 -1.502 19479 3403 1 9 . 1 1 45 45 ALA HA H 45 4.264 4.264 4.181 0.083 19479 3404 1 9 . 1 1 45 45 ALA CA C 45 57.581 57.581 55.640 1.941 19479 3405 1 9 . 1 1 45 45 ALA CB C 45 18.718 18.718 18.275 0.443 19479 3406 1 9 . 1 1 46 46 LEU N N 46 117.791 117.791 118.822 -1.031 19479 3407 1 9 . 1 1 46 46 LEU HA H 46 4.420 4.420 4.007 0.413 19479 3408 1 9 . 1 1 46 46 LEU CA C 46 58.559 58.559 58.059 0.500 19479 3409 1 9 . 1 1 46 46 LEU CB C 46 41.652 41.652 42.133 -0.481 19479 3410 1 9 . 1 1 46 46 LEU H H 46 8.807 8.807 8.464 0.343 19479 3411 1 9 . 1 1 47 47 LYS N N 47 118.822 118.822 117.958 0.864 19479 3412 1 9 . 1 1 47 47 LYS HA H 47 4.200 4.200 3.885 0.315 19479 3413 1 9 . 1 1 47 47 LYS CA C 47 58.352 58.352 58.609 -0.257 19479 3414 1 9 . 1 1 47 47 LYS CB C 47 32.994 32.994 31.426 1.568 19479 3415 1 9 . 1 1 47 47 LYS H H 47 7.589 7.589 7.233 0.356 19479 3416 1 9 . 1 1 48 48 ALA N N 48 122.769 122.769 122.431 0.338 19479 3417 1 9 . 1 1 48 48 ALA HA H 48 3.575 3.575 3.512 0.063 19479 3418 1 9 . 1 1 48 48 ALA CA C 48 55.102 55.102 54.885 0.217 19479 3419 1 9 . 1 1 48 48 ALA CB C 48 18.239 18.239 17.896 0.343 19479 3420 1 9 . 1 1 48 48 ALA H H 48 8.736 8.736 8.246 0.490 19479 3421 1 9 . 1 1 49 49 MET N N 49 116.936 116.936 117.686 -0.750 19479 3422 1 9 . 1 1 49 49 MET HA H 49 4.169 4.169 4.005 0.164 19479 3423 1 9 . 1 1 49 49 MET CA C 49 58.869 58.869 59.408 -0.540 19479 3424 1 9 . 1 1 49 49 MET CB C 49 32.511 32.511 32.621 -0.110 19479 3425 1 9 . 1 1 49 49 MET H H 49 8.000 8.000 8.174 -0.174 19479 3426 1 9 . 1 1 50 50 ALA N N 50 123.686 123.686 122.124 1.562 19479 3427 1 9 . 1 1 50 50 ALA HA H 50 4.401 4.401 4.085 0.316 19479 3428 1 9 . 1 1 50 50 ALA CA C 50 55.265 55.265 55.181 0.084 19479 3429 1 9 . 1 1 50 50 ALA CB C 50 18.320 18.320 18.046 0.274 19479 3430 1 9 . 1 1 50 50 ALA H H 50 7.389 7.389 8.231 -0.842 19479 3431 1 9 . 1 1 51 51 VAL N N 51 118.885 118.885 118.431 0.454 19479 3432 1 9 . 1 1 51 51 VAL HA H 51 3.437 3.437 3.697 -0.261 19479 3433 1 9 . 1 1 51 51 VAL CA C 51 66.975 66.975 65.602 1.373 19479 3434 1 9 . 1 1 51 51 VAL CB C 51 31.268 31.268 31.417 -0.149 19479 3435 1 9 . 1 1 51 51 VAL H H 51 7.981 7.981 7.627 0.354 19479 3436 1 9 . 1 1 52 52 ALA N N 52 121.555 121.555 122.563 -1.008 19479 3437 1 9 . 1 1 52 52 ALA HA H 52 3.990 3.990 3.882 0.108 19479 3438 1 9 . 1 1 52 52 ALA CA C 52 56.056 56.056 55.143 0.913 19479 3439 1 9 . 1 1 52 52 ALA CB C 52 18.099 18.099 18.045 0.054 19479 3440 1 9 . 1 1 52 52 ALA H H 52 8.499 8.499 8.166 0.333 19479 3441 1 9 . 1 1 53 53 ALA N N 53 121.958 121.958 119.799 2.159 19479 3442 1 9 . 1 1 53 53 ALA HA H 53 4.346 4.346 4.093 0.253 19479 3443 1 9 . 1 1 53 53 ALA CA C 53 55.454 55.454 54.943 0.511 19479 3444 1 9 . 1 1 53 53 ALA CB C 53 18.079 18.079 18.341 -0.262 19479 3445 1 9 . 1 1 53 53 ALA H H 53 8.238 8.238 7.971 0.267 19479 3446 1 9 . 1 1 54 54 GLN N N 54 118.520 118.520 118.358 0.162 19479 3447 1 9 . 1 1 54 54 GLN HA H 54 4.157 4.157 4.135 0.022 19479 3448 1 9 . 1 1 54 54 GLN CA C 54 59.303 59.303 58.602 0.701 19479 3449 1 9 . 1 1 54 54 GLN CB C 54 28.684 28.684 29.025 -0.341 19479 3450 1 9 . 1 1 54 54 GLN H H 54 7.914 7.914 7.713 0.201 19479 3451 1 9 . 1 1 55 55 VAL N N 55 121.643 121.643 121.307 0.336 19479 3452 1 9 . 1 1 55 55 VAL HA H 55 3.673 3.673 3.905 -0.232 19479 3453 1 9 . 1 1 55 55 VAL CA C 55 67.521 67.521 67.234 0.287 19479 3454 1 9 . 1 1 55 55 VAL CB C 55 31.569 31.569 31.429 0.140 19479 3455 1 9 . 1 1 55 55 VAL H H 55 8.915 8.915 8.687 0.228 19479 3456 1 9 . 1 1 56 56 HIS N N 56 120.993 120.993 119.121 1.872 19479 3457 1 9 . 1 1 56 56 HIS HA H 56 4.314 4.314 4.757 -0.443 19479 3458 1 9 . 1 1 56 56 HIS CA C 56 60.994 60.994 59.111 1.883 19479 3459 1 9 . 1 1 56 56 HIS CB C 56 30.226 30.226 29.967 0.259 19479 3460 1 9 . 1 1 56 56 HIS H H 56 8.328 8.328 8.455 -0.127 19479 3461 1 9 . 1 1 57 57 ARG N N 57 119.241 119.241 117.856 1.385 19479 3462 1 9 . 1 1 57 57 ARG HA H 57 3.963 3.963 4.281 -0.318 19479 3463 1 9 . 1 1 57 57 ARG CA C 57 59.269 59.269 58.526 0.743 19479 3464 1 9 . 1 1 57 57 ARG CB C 57 30.220 30.220 29.991 0.229 19479 3465 1 9 . 1 1 57 57 ARG H H 57 7.849 7.849 7.579 0.270 19479 3466 1 9 . 1 1 58 58 GLU N N 58 116.079 116.079 119.035 -2.956 19479 3467 1 9 . 1 1 58 58 GLU HA H 58 3.944 3.944 4.222 -0.278 19479 3468 1 9 . 1 1 58 58 GLU CA C 58 58.351 58.351 58.151 0.200 19479 3469 1 9 . 1 1 58 58 GLU CB C 58 30.571 30.571 30.139 0.432 19479 3470 1 9 . 1 1 58 58 GLU H H 58 7.874 7.874 8.267 -0.393 19479 3471 1 9 . 1 1 59 59 TYR N N 59 112.274 112.274 116.265 -3.991 19479 3472 1 9 . 1 1 59 59 TYR HA H 59 4.686 4.686 4.530 0.156 19479 3473 1 9 . 1 1 59 59 TYR CA C 59 58.616 58.616 58.425 0.191 19479 3474 1 9 . 1 1 59 59 TYR CB C 59 40.589 40.589 38.676 1.913 19479 3475 1 9 . 1 1 59 59 TYR H H 59 8.303 8.303 8.348 -0.045 19479 3476 1 9 . 1 1 60 60 GLN N N 60 115.629 115.629 115.983 -0.354 19479 3477 1 9 . 1 1 60 60 GLN HA H 60 3.481 3.481 4.304 -0.823 19479 3478 1 9 . 1 1 60 60 GLN CA C 60 57.418 57.418 56.632 0.786 19479 3479 1 9 . 1 1 60 60 GLN CB C 60 25.628 25.628 26.950 -1.322 19479 3480 1 9 . 1 1 60 60 GLN H H 60 8.382 8.382 7.863 0.519 19479 3481 1 9 . 1 1 61 61 VAL N N 61 114.547 114.547 117.373 -2.826 19479 3482 1 9 . 1 1 61 61 VAL HA H 61 4.347 4.347 4.125 0.222 19479 3483 1 9 . 1 1 61 61 VAL CA C 61 60.118 60.118 60.114 0.004 19479 3484 1 9 . 1 1 61 61 VAL CB C 61 35.547 35.547 34.978 0.569 19479 3485 1 9 . 1 1 61 61 VAL H H 61 6.532 6.532 7.915 -1.383 19479 3486 1 9 . 1 1 62 62 GLU N N 62 125.938 125.938 129.199 -3.261 19479 3487 1 9 . 1 1 62 62 GLU HA H 62 4.270 4.270 3.693 0.577 19479 3488 1 9 . 1 1 62 62 GLU CA C 62 55.857 55.857 56.230 -0.373 19479 3489 1 9 . 1 1 62 62 GLU CB C 62 30.334 30.334 29.801 0.533 19479 3490 1 9 . 1 1 62 62 GLU H H 62 8.741 8.741 8.474 0.267 19479 3491 1 9 . 1 1 63 63 LEU N N 63 127.837 127.837 128.823 -0.986 19479 3492 1 9 . 1 1 63 63 LEU HA H 63 4.845 4.845 4.844 0.001 19479 3493 1 9 . 1 1 63 63 LEU CA C 63 50.751 50.751 50.930 -0.179 19479 3494 1 9 . 1 1 63 63 LEU CB C 63 43.313 43.313 43.088 0.225 19479 3495 1 9 . 1 1 63 63 LEU H H 63 8.939 8.939 8.305 0.634 19479 3496 1 9 . 1 1 64 64 PRO HA H 64 4.446 4.446 4.599 -0.153 19479 3497 1 9 . 1 1 64 64 PRO CA C 64 62.060 62.060 61.953 0.107 19479 3498 1 9 . 1 1 64 64 PRO CB C 64 32.346 32.346 33.252 -0.906 19479 3499 1 9 . 1 1 65 65 LEU N N 65 126.325 126.325 123.429 2.896 19479 3500 1 9 . 1 1 65 65 LEU HA H 65 3.772 3.772 3.880 -0.108 19479 3501 1 9 . 1 1 65 65 LEU CA C 65 58.426 58.426 58.190 0.236 19479 3502 1 9 . 1 1 65 65 LEU CB C 65 40.688 40.688 42.157 -1.469 19479 3503 1 9 . 1 1 65 65 LEU H H 65 8.746 8.746 8.710 0.036 19479 3504 1 9 . 1 1 66 66 LYS N N 66 114.157 114.157 119.097 -4.940 19479 3505 1 9 . 1 1 66 66 LYS HA H 66 3.999 3.999 4.334 -0.335 19479 3506 1 9 . 1 1 66 66 LYS CA C 66 59.383 59.383 59.879 -0.496 19479 3507 1 9 . 1 1 66 66 LYS CB C 66 32.166 32.166 32.239 -0.073 19479 3508 1 9 . 1 1 66 66 LYS H H 66 8.551 8.551 8.414 0.137 19479 3509 1 9 . 1 1 67 67 VAL N N 67 119.827 119.827 119.597 0.230 19479 3510 1 9 . 1 1 67 67 VAL HA H 67 3.611 3.611 3.515 0.096 19479 3511 1 9 . 1 1 67 67 VAL CA C 67 65.655 65.655 65.796 -0.141 19479 3512 1 9 . 1 1 67 67 VAL CB C 67 31.425 31.425 31.344 0.081 19479 3513 1 9 . 1 1 67 67 VAL H H 67 7.190 7.190 7.998 -0.808 19479 3514 1 9 . 1 1 68 68 LEU N N 68 120.867 120.867 121.576 -0.709 19479 3515 1 9 . 1 1 68 68 LEU HA H 68 3.922 3.922 3.863 0.059 19479 3516 1 9 . 1 1 68 68 LEU CA C 68 58.322 58.322 57.656 0.666 19479 3517 1 9 . 1 1 68 68 LEU CB C 68 41.911 41.911 40.934 0.977 19479 3518 1 9 . 1 1 68 68 LEU H H 68 6.936 6.936 7.351 -0.415 19479 3519 1 9 . 1 1 69 69 PHE N N 69 112.682 112.682 117.996 -5.314 19479 3520 1 9 . 1 1 69 69 PHE HA H 69 4.265 4.265 4.688 -0.423 19479 3521 1 9 . 1 1 69 69 PHE CA C 69 60.265 60.265 59.982 0.283 19479 3522 1 9 . 1 1 69 69 PHE CB C 69 38.725 38.725 38.764 -0.039 19479 3523 1 9 . 1 1 69 69 PHE H H 69 8.201 8.201 8.456 -0.255 19479 3524 1 9 . 1 1 70 70 ALA N N 70 118.803 118.803 122.403 -3.600 19479 3525 1 9 . 1 1 70 70 ALA HA H 70 4.302 4.302 3.425 0.877 19479 3526 1 9 . 1 1 70 70 ALA CA C 70 54.025 54.025 53.563 0.462 19479 3527 1 9 . 1 1 70 70 ALA CB C 70 19.656 19.656 19.123 0.533 19479 3528 1 9 . 1 1 70 70 ALA H H 70 7.448 7.448 7.233 0.215 19479 3529 1 9 . 1 1 71 71 GLN N N 71 116.280 116.280 115.415 0.865 19479 3530 1 9 . 1 1 71 71 GLN HA H 71 4.848 4.848 4.742 0.106 19479 3531 1 9 . 1 1 71 71 GLN CA C 71 53.120 53.120 52.236 0.884 19479 3532 1 9 . 1 1 71 71 GLN CB C 71 29.026 29.026 30.134 -1.108 19479 3533 1 9 . 1 1 71 71 GLN H H 71 7.561 7.561 7.951 -0.390 19479 3534 1 9 . 1 1 72 72 PRO HA H 72 4.989 4.989 4.647 0.342 19479 3535 1 9 . 1 1 72 72 PRO CA C 72 64.307 64.307 63.087 1.220 19479 3536 1 9 . 1 1 72 72 PRO CB C 72 30.240 30.240 30.114 0.126 19479 3537 1 9 . 1 1 73 73 THR N N 73 109.972 109.972 111.598 -1.626 19479 3538 1 9 . 1 1 73 73 THR HA H 73 5.198 5.198 5.355 -0.157 19479 3539 1 9 . 1 1 73 73 THR CA C 73 59.292 59.292 59.312 -0.020 19479 3540 1 9 . 1 1 73 73 THR CB C 73 72.314 72.314 73.258 -0.944 19479 3541 1 9 . 1 1 73 73 THR H H 73 8.303 8.303 8.060 0.243 19479 3542 1 9 . 1 1 74 74 ILE N N 74 125.105 125.105 123.017 2.088 19479 3543 1 9 . 1 1 74 74 ILE HA H 74 3.061 3.061 3.348 -0.287 19479 3544 1 9 . 1 1 74 74 ILE CA C 74 66.019 66.019 63.977 2.042 19479 3545 1 9 . 1 1 74 74 ILE CB C 74 37.443 37.443 36.600 0.843 19479 3546 1 9 . 1 1 74 74 ILE H H 74 9.908 9.908 9.035 0.873 19479 3547 1 9 . 1 1 75 75 LYS N N 75 119.445 119.445 121.258 -1.813 19479 3548 1 9 . 1 1 75 75 LYS HA H 75 3.797 3.797 4.212 -0.415 19479 3549 1 9 . 1 1 75 75 LYS CA C 75 60.205 60.205 60.039 0.166 19479 3550 1 9 . 1 1 75 75 LYS CB C 75 33.098 33.098 32.070 1.028 19479 3551 1 9 . 1 1 75 75 LYS H H 75 9.024 9.024 7.636 1.388 19479 3552 1 9 . 1 1 76 76 ALA N N 76 119.581 119.581 121.481 -1.900 19479 3553 1 9 . 1 1 76 76 ALA HA H 76 4.216 4.216 4.058 0.158 19479 3554 1 9 . 1 1 76 76 ALA CA C 76 54.809 54.809 54.969 -0.160 19479 3555 1 9 . 1 1 76 76 ALA CB C 76 19.422 19.422 18.075 1.347 19479 3556 1 9 . 1 1 76 76 ALA H H 76 7.621 7.621 8.286 -0.665 19479 3557 1 9 . 1 1 77 77 LEU N N 77 121.833 121.833 118.771 3.062 19479 3558 1 9 . 1 1 77 77 LEU HA H 77 4.097 4.097 3.955 0.142 19479 3559 1 9 . 1 1 77 77 LEU CA C 77 57.612 57.612 57.567 0.045 19479 3560 1 9 . 1 1 77 77 LEU CB C 77 42.192 42.192 41.356 0.836 19479 3561 1 9 . 1 1 77 77 LEU H H 77 8.915 8.915 7.840 1.075 19479 3562 1 9 . 1 1 78 78 ALA N N 78 120.481 120.481 122.187 -1.706 19479 3563 1 9 . 1 1 78 78 ALA HA H 78 3.751 3.751 3.863 -0.112 19479 3564 1 9 . 1 1 78 78 ALA CA C 78 55.117 55.117 55.526 -0.409 19479 3565 1 9 . 1 1 78 78 ALA CB C 78 19.603 19.603 18.145 1.458 19479 3566 1 9 . 1 1 78 78 ALA H H 78 9.393 9.393 8.721 0.672 19479 3567 1 9 . 1 1 79 79 GLN N N 79 117.799 117.799 118.008 -0.209 19479 3568 1 9 . 1 1 79 79 GLN HA H 79 4.069 4.069 4.022 0.047 19479 3569 1 9 . 1 1 79 79 GLN CA C 79 58.790 58.790 58.609 0.181 19479 3570 1 9 . 1 1 79 79 GLN CB C 79 28.256 28.256 28.328 -0.072 19479 3571 1 9 . 1 1 79 79 GLN H H 79 7.179 7.179 8.541 -1.362 19479 3572 1 9 . 1 1 80 80 TYR N N 80 121.754 121.754 121.956 -0.202 19479 3573 1 9 . 1 1 80 80 TYR HA H 80 3.982 3.982 4.074 -0.092 19479 3574 1 9 . 1 1 80 80 TYR CA C 80 61.965 61.965 61.627 0.338 19479 3575 1 9 . 1 1 80 80 TYR CB C 80 38.227 38.227 38.698 -0.471 19479 3576 1 9 . 1 1 80 80 TYR H H 80 7.716 7.716 7.998 -0.282 19479 3577 1 9 . 1 1 81 81 VAL N N 81 117.864 117.864 118.314 -0.450 19479 3578 1 9 . 1 1 81 81 VAL HA H 81 3.264 3.264 3.401 -0.137 19479 3579 1 9 . 1 1 81 81 VAL CA C 81 66.719 66.719 66.162 0.557 19479 3580 1 9 . 1 1 81 81 VAL CB C 81 32.032 32.032 31.657 0.375 19479 3581 1 9 . 1 1 81 81 VAL H H 81 8.536 8.536 8.715 -0.179 19479 3582 1 9 . 1 1 82 82 ALA N N 82 121.044 121.044 121.910 -0.866 19479 3583 1 9 . 1 1 82 82 ALA HA H 82 3.931 3.931 3.745 0.186 19479 3584 1 9 . 1 1 82 82 ALA CA C 82 55.130 55.130 55.326 -0.196 19479 3585 1 9 . 1 1 82 82 ALA CB C 82 18.588 18.588 18.088 0.500 19479 3586 1 9 . 1 1 82 82 ALA H H 82 8.420 8.420 8.027 0.393 19479 3587 1 9 . 1 1 83 83 THR N N 83 109.020 109.020 111.924 -2.904 19479 3588 1 9 . 1 1 83 83 THR HA H 83 4.081 4.081 4.144 -0.063 19479 3589 1 9 . 1 1 83 83 THR CA C 83 64.388 64.388 64.171 0.217 19479 3590 1 9 . 1 1 83 83 THR CB C 83 69.529 69.529 68.728 0.801 19479 3591 1 9 . 1 1 83 83 THR H H 83 7.558 7.558 8.127 -0.569 19479 3592 1 9 . 1 1 84 84 ARG N N 84 119.856 119.856 118.956 0.900 19479 3593 1 9 . 1 1 84 84 ARG HA H 84 4.199 4.199 4.211 -0.012 19479 3594 1 9 . 1 1 84 84 ARG CA C 84 56.279 56.279 57.856 -1.577 19479 3595 1 9 . 1 1 84 84 ARG CB C 84 30.866 30.866 30.620 0.246 19479 3596 1 9 . 1 1 84 84 ARG H H 84 7.368 7.368 7.283 0.085 19479 3597 1 9 . 1 1 85 85 SER N N 85 114.607 114.607 114.758 -0.151 19479 3598 1 9 . 1 1 85 85 SER HA H 85 4.301 4.301 4.323 -0.022 19479 3599 1 9 . 1 1 85 85 SER CA C 85 58.927 58.927 61.021 -2.094 19479 3600 1 9 . 1 1 85 85 SER CB C 85 63.778 63.778 63.533 0.245 19479 3601 1 9 . 1 1 85 85 SER H H 85 7.783 7.783 8.103 -0.320 19479 3602 1 9 . 1 1 86 86 HIS HA H 86 4.608 4.608 4.782 -0.174 19479 3603 1 9 . 1 1 86 86 HIS CA C 86 56.102 56.102 54.305 1.797 19479 3604 1 9 . 1 1 86 86 HIS CB C 86 30.233 30.233 28.994 1.239 19479 3605 1 9 . 1 1 87 87 HIS N N 87 125.453 125.453 125.225 0.228 19479 3606 1 9 . 1 1 87 87 HIS HA H 87 4.421 4.421 4.542 -0.121 19479 3607 1 9 . 1 1 87 87 HIS CA C 87 57.381 57.381 55.555 1.826 19479 3608 1 9 . 1 1 87 87 HIS CB C 87 30.430 30.430 29.707 0.723 19479 3609 1 9 . 1 1 87 87 HIS H H 87 8.102 8.102 8.991 -0.889 19479 3610 1 10 . 1 1 3 3 VAL HA H 3 4.160 4.160 4.095 0.065 19479 3611 1 10 . 1 1 3 3 VAL CA C 3 63.130 63.130 62.831 0.299 19479 3612 1 10 . 1 1 3 3 VAL CB C 3 32.605 32.605 32.343 0.262 19479 3613 1 10 . 1 1 4 4 THR N N 4 117.074 117.074 115.272 1.802 19479 3614 1 10 . 1 1 4 4 THR HA H 4 4.454 4.454 4.337 0.117 19479 3615 1 10 . 1 1 4 4 THR CA C 4 61.454 61.454 63.457 -2.003 19479 3616 1 10 . 1 1 4 4 THR CB C 4 70.203 70.203 69.042 1.161 19479 3617 1 10 . 1 1 4 4 THR H H 4 8.269 8.269 7.577 0.692 19479 3618 1 10 . 1 1 5 5 GLU N N 5 122.628 122.628 121.243 1.385 19479 3619 1 10 . 1 1 5 5 GLU HA H 5 4.305 4.305 3.902 0.403 19479 3620 1 10 . 1 1 5 5 GLU CA C 5 56.689 56.689 57.427 -0.738 19479 3621 1 10 . 1 1 5 5 GLU CB C 5 30.297 30.297 29.624 0.673 19479 3622 1 10 . 1 1 5 5 GLU H H 5 8.465 8.465 8.845 -0.380 19479 3623 1 10 . 1 1 6 6 ALA N N 6 124.915 124.915 121.712 3.203 19479 3624 1 10 . 1 1 6 6 ALA HA H 6 4.301 4.301 4.159 0.142 19479 3625 1 10 . 1 1 6 6 ALA CA C 6 52.392 52.392 52.973 -0.581 19479 3626 1 10 . 1 1 6 6 ALA CB C 6 19.520 19.520 19.365 0.155 19479 3627 1 10 . 1 1 6 6 ALA H H 6 8.333 8.333 7.225 1.108 19479 3628 1 10 . 1 1 7 7 GLN N N 7 120.476 120.476 123.931 -3.455 19479 3629 1 10 . 1 1 7 7 GLN HA H 7 4.275 4.275 4.160 0.115 19479 3630 1 10 . 1 1 7 7 GLN CA C 7 55.512 55.512 56.306 -0.794 19479 3631 1 10 . 1 1 7 7 GLN CB C 7 29.495 29.495 29.408 0.087 19479 3632 1 10 . 1 1 7 7 GLN H H 7 8.340 8.340 8.187 0.153 19479 3633 1 10 . 1 1 8 8 TYR N N 8 124.499 124.499 125.216 -0.717 19479 3634 1 10 . 1 1 8 8 TYR HA H 8 4.386 4.386 4.545 -0.159 19479 3635 1 10 . 1 1 8 8 TYR CA C 8 60.233 60.233 58.547 1.686 19479 3636 1 10 . 1 1 8 8 TYR CB C 8 38.173 38.173 38.480 -0.307 19479 3637 1 10 . 1 1 8 8 TYR H H 8 8.506 8.506 8.534 -0.028 19479 3638 1 10 . 1 1 9 9 VAL N N 9 130.011 130.011 129.943 0.068 19479 3639 1 10 . 1 1 9 9 VAL HA H 9 3.748 3.748 3.953 -0.205 19479 3640 1 10 . 1 1 9 9 VAL CA C 9 61.317 61.317 61.058 0.259 19479 3641 1 10 . 1 1 9 9 VAL CB C 9 34.738 34.738 34.503 0.235 19479 3642 1 10 . 1 1 9 9 VAL H H 9 6.756 6.756 8.383 -1.627 19479 3643 1 10 . 1 1 10 10 ALA N N 10 130.264 130.264 131.366 -1.102 19479 3644 1 10 . 1 1 10 10 ALA HA H 10 4.172 4.172 4.547 -0.375 19479 3645 1 10 . 1 1 10 10 ALA CA C 10 50.602 50.602 50.274 0.328 19479 3646 1 10 . 1 1 10 10 ALA CB C 10 17.676 17.676 18.383 -0.707 19479 3647 1 10 . 1 1 10 10 ALA H H 10 8.125 8.125 8.203 -0.078 19479 3648 1 10 . 1 1 11 11 PRO HA H 11 4.186 4.186 4.383 -0.197 19479 3649 1 10 . 1 1 11 11 PRO CA C 11 63.808 63.808 62.920 0.888 19479 3650 1 10 . 1 1 11 11 PRO CB C 11 32.674 32.674 32.236 0.438 19479 3651 1 10 . 1 1 12 12 THR N N 12 113.591 113.591 110.210 3.381 19479 3652 1 10 . 1 1 12 12 THR HA H 12 4.469 4.469 4.332 0.137 19479 3653 1 10 . 1 1 12 12 THR CA C 12 61.950 61.950 61.395 0.555 19479 3654 1 10 . 1 1 12 12 THR CB C 12 71.622 71.622 69.789 1.833 19479 3655 1 10 . 1 1 12 12 THR H H 12 9.701 9.701 8.135 1.566 19479 3656 1 10 . 1 1 13 13 ASN N N 13 116.088 116.088 120.650 -4.562 19479 3657 1 10 . 1 1 13 13 ASN HA H 13 4.771 4.771 4.799 -0.028 19479 3658 1 10 . 1 1 13 13 ASN CA C 13 51.947 51.947 52.432 -0.485 19479 3659 1 10 . 1 1 13 13 ASN CB C 13 39.736 39.736 39.940 -0.204 19479 3660 1 10 . 1 1 13 13 ASN H H 13 7.423 7.423 7.786 -0.363 19479 3661 1 10 . 1 1 14 14 ALA HA H 14 4.136 4.136 4.170 -0.034 19479 3662 1 10 . 1 1 14 14 ALA CA C 14 55.484 55.484 54.690 0.795 19479 3663 1 10 . 1 1 14 14 ALA CB C 14 19.020 19.020 18.884 0.136 19479 3664 1 10 . 1 1 15 15 VAL N N 15 120.332 120.332 118.077 2.255 19479 3665 1 10 . 1 1 15 15 VAL HA H 15 4.191 4.191 3.825 0.366 19479 3666 1 10 . 1 1 15 15 VAL CA C 15 65.158 65.158 66.489 -1.331 19479 3667 1 10 . 1 1 15 15 VAL CB C 15 31.513 31.513 31.172 0.341 19479 3668 1 10 . 1 1 15 15 VAL H H 15 7.938 7.938 8.052 -0.114 19479 3669 1 10 . 1 1 16 16 GLU N N 16 118.751 118.751 119.592 -0.841 19479 3670 1 10 . 1 1 16 16 GLU HA H 16 3.550 3.550 3.921 -0.371 19479 3671 1 10 . 1 1 16 16 GLU CA C 16 59.495 59.495 59.954 -0.459 19479 3672 1 10 . 1 1 16 16 GLU CB C 16 30.851 30.851 29.051 1.800 19479 3673 1 10 . 1 1 16 16 GLU H H 16 8.470 8.470 8.670 -0.200 19479 3674 1 10 . 1 1 17 17 SER N N 17 112.637 112.637 115.242 -2.605 19479 3675 1 10 . 1 1 17 17 SER HA H 17 3.968 3.968 3.999 -0.031 19479 3676 1 10 . 1 1 17 17 SER CA C 17 62.523 62.523 61.730 0.793 19479 3677 1 10 . 1 1 17 17 SER CB C 17 62.669 62.669 62.895 -0.226 19479 3678 1 10 . 1 1 17 17 SER H H 17 8.386 8.386 7.991 0.395 19479 3679 1 10 . 1 1 18 18 LYS N N 18 124.394 124.394 121.557 2.837 19479 3680 1 10 . 1 1 18 18 LYS HA H 18 4.287 4.287 4.098 0.189 19479 3681 1 10 . 1 1 18 18 LYS CA C 18 57.421 57.421 59.204 -1.783 19479 3682 1 10 . 1 1 18 18 LYS CB C 18 30.018 30.018 32.386 -2.368 19479 3683 1 10 . 1 1 18 18 LYS H H 18 8.104 8.104 7.460 0.644 19479 3684 1 10 . 1 1 19 19 LEU N N 19 118.589 118.589 119.220 -0.631 19479 3685 1 10 . 1 1 19 19 LEU HA H 19 4.027 4.027 4.097 -0.070 19479 3686 1 10 . 1 1 19 19 LEU CA C 19 58.178 58.178 58.192 -0.014 19479 3687 1 10 . 1 1 19 19 LEU CB C 19 42.135 42.135 41.584 0.551 19479 3688 1 10 . 1 1 19 19 LEU H H 19 8.742 8.742 7.893 0.849 19479 3689 1 10 . 1 1 20 20 ALA N N 20 121.037 121.037 121.198 -0.161 19479 3690 1 10 . 1 1 20 20 ALA HA H 20 3.775 3.775 3.587 0.188 19479 3691 1 10 . 1 1 20 20 ALA CA C 20 56.194 56.194 54.879 1.315 19479 3692 1 10 . 1 1 20 20 ALA CB C 20 16.862 16.862 17.946 -1.084 19479 3693 1 10 . 1 1 20 20 ALA H H 20 8.199 8.199 7.948 0.251 19479 3694 1 10 . 1 1 21 21 GLU N N 21 118.948 118.948 119.156 -0.208 19479 3695 1 10 . 1 1 21 21 GLU HA H 21 4.129 4.129 4.030 0.099 19479 3696 1 10 . 1 1 21 21 GLU CA C 21 59.788 59.788 59.536 0.252 19479 3697 1 10 . 1 1 21 21 GLU CB C 21 29.887 29.887 29.637 0.250 19479 3698 1 10 . 1 1 21 21 GLU H H 21 7.716 7.716 7.927 -0.211 19479 3699 1 10 . 1 1 22 22 ILE N N 22 120.355 120.355 119.761 0.594 19479 3700 1 10 . 1 1 22 22 ILE HA H 22 3.780 3.780 3.848 -0.068 19479 3701 1 10 . 1 1 22 22 ILE CA C 22 65.850 65.850 65.047 0.803 19479 3702 1 10 . 1 1 22 22 ILE CB C 22 38.677 38.677 38.094 0.583 19479 3703 1 10 . 1 1 22 22 ILE H H 22 8.409 8.409 7.407 1.002 19479 3704 1 10 . 1 1 23 23 TRP N N 23 120.272 120.272 119.561 0.711 19479 3705 1 10 . 1 1 23 23 TRP HA H 23 4.191 4.191 4.343 -0.152 19479 3706 1 10 . 1 1 23 23 TRP CA C 23 61.819 61.819 60.243 1.576 19479 3707 1 10 . 1 1 23 23 TRP CB C 23 29.177 29.177 28.487 0.690 19479 3708 1 10 . 1 1 23 23 TRP H H 23 9.551 9.551 7.725 1.826 19479 3709 1 10 . 1 1 24 24 GLU N N 24 119.281 119.281 117.130 2.151 19479 3710 1 10 . 1 1 24 24 GLU HA H 24 4.210 4.210 4.100 0.110 19479 3711 1 10 . 1 1 24 24 GLU CA C 24 60.695 60.695 59.388 1.307 19479 3712 1 10 . 1 1 24 24 GLU CB C 24 29.397 29.397 28.759 0.638 19479 3713 1 10 . 1 1 24 24 GLU H H 24 9.039 9.039 8.096 0.943 19479 3714 1 10 . 1 1 25 25 ARG N N 25 119.408 119.408 118.503 0.905 19479 3715 1 10 . 1 1 25 25 ARG HA H 25 4.205 4.205 4.227 -0.022 19479 3716 1 10 . 1 1 25 25 ARG CA C 25 59.015 59.015 58.300 0.715 19479 3717 1 10 . 1 1 25 25 ARG CB C 25 30.246 30.246 30.272 -0.026 19479 3718 1 10 . 1 1 25 25 ARG H H 25 8.060 8.060 7.701 0.359 19479 3719 1 10 . 1 1 26 26 VAL N N 26 119.220 119.220 118.208 1.012 19479 3720 1 10 . 1 1 26 26 VAL HA H 26 3.782 3.782 4.033 -0.251 19479 3721 1 10 . 1 1 26 26 VAL CA C 26 65.845 65.845 64.767 1.077 19479 3722 1 10 . 1 1 26 26 VAL CB C 26 32.717 32.717 33.108 -0.391 19479 3723 1 10 . 1 1 26 26 VAL H H 26 8.475 8.475 7.660 0.815 19479 3724 1 10 . 1 1 27 27 LEU N N 27 116.095 116.095 117.439 -1.344 19479 3725 1 10 . 1 1 27 27 LEU HA H 27 4.018 4.018 4.198 -0.180 19479 3726 1 10 . 1 1 27 27 LEU CA C 27 55.757 55.757 56.158 -0.401 19479 3727 1 10 . 1 1 27 27 LEU CB C 27 42.504 42.504 42.617 -0.112 19479 3728 1 10 . 1 1 27 27 LEU H H 27 9.005 9.005 8.537 0.468 19479 3729 1 10 . 1 1 28 28 GLY N N 28 108.722 108.722 107.744 0.978 19479 3730 1 10 . 1 1 28 28 GLY CA C 28 46.721 46.721 45.386 1.335 19479 3731 1 10 . 1 1 28 28 GLY H H 28 8.056 8.056 7.935 0.121 19479 3732 1 10 . 1 1 29 29 VAL N N 29 115.103 115.103 116.160 -1.057 19479 3733 1 10 . 1 1 29 29 VAL HA H 29 4.457 4.457 4.672 -0.215 19479 3734 1 10 . 1 1 29 29 VAL CA C 29 59.845 59.845 59.352 0.493 19479 3735 1 10 . 1 1 29 29 VAL CB C 29 35.477 35.477 34.091 1.386 19479 3736 1 10 . 1 1 29 29 VAL H H 29 7.044 7.044 7.539 -0.495 19479 3737 1 10 . 1 1 30 30 SER N N 30 115.417 115.417 116.176 -0.759 19479 3738 1 10 . 1 1 30 30 SER HA H 30 4.683 4.683 4.801 -0.118 19479 3739 1 10 . 1 1 30 30 SER CA C 30 56.970 56.970 58.461 -1.491 19479 3740 1 10 . 1 1 30 30 SER CB C 30 65.294 65.294 64.301 0.993 19479 3741 1 10 . 1 1 30 30 SER H H 30 8.151 8.151 8.294 -0.143 19479 3742 1 10 . 1 1 31 31 GLY N N 31 112.008 112.008 116.616 -4.608 19479 3743 1 10 . 1 1 31 31 GLY CA C 31 46.545 46.545 44.825 1.720 19479 3744 1 10 . 1 1 31 31 GLY H H 31 8.573 8.573 9.574 -1.001 19479 3745 1 10 . 1 1 32 32 ILE N N 32 121.204 121.204 121.856 -0.652 19479 3746 1 10 . 1 1 32 32 ILE HA H 32 3.898 3.898 4.110 -0.212 19479 3747 1 10 . 1 1 32 32 ILE CA C 32 63.126 63.126 60.751 2.376 19479 3748 1 10 . 1 1 32 32 ILE CB C 32 38.993 38.993 38.526 0.467 19479 3749 1 10 . 1 1 32 32 ILE H H 32 8.241 8.241 7.991 0.250 19479 3750 1 10 . 1 1 33 33 GLY N N 33 115.038 115.038 111.420 3.618 19479 3751 1 10 . 1 1 33 33 GLY CA C 33 44.330 44.330 43.813 0.517 19479 3752 1 10 . 1 1 33 33 GLY H H 33 8.760 8.760 8.046 0.714 19479 3753 1 10 . 1 1 34 34 ILE N N 34 110.067 110.067 116.618 -6.551 19479 3754 1 10 . 1 1 34 34 ILE HA H 34 4.017 4.017 4.015 0.002 19479 3755 1 10 . 1 1 34 34 ILE CA C 34 64.500 64.500 64.254 0.246 19479 3756 1 10 . 1 1 34 34 ILE CB C 34 37.731 37.731 38.678 -0.947 19479 3757 1 10 . 1 1 34 34 ILE H H 34 8.566 8.566 8.604 -0.038 19479 3758 1 10 . 1 1 35 35 LEU N N 35 117.052 117.052 113.588 3.464 19479 3759 1 10 . 1 1 35 35 LEU HA H 35 4.692 4.692 4.629 0.063 19479 3760 1 10 . 1 1 35 35 LEU CA C 35 53.247 53.247 53.496 -0.249 19479 3761 1 10 . 1 1 35 35 LEU CB C 35 42.094 42.094 41.169 0.925 19479 3762 1 10 . 1 1 35 35 LEU H H 35 8.191 8.191 8.004 0.187 19479 3763 1 10 . 1 1 36 36 ASP N N 36 121.535 121.535 122.875 -1.340 19479 3764 1 10 . 1 1 36 36 ASP HA H 36 4.387 4.387 4.562 -0.175 19479 3765 1 10 . 1 1 36 36 ASP CA C 36 55.244 55.244 55.996 -0.752 19479 3766 1 10 . 1 1 36 36 ASP CB C 36 41.170 41.170 41.591 -0.421 19479 3767 1 10 . 1 1 36 36 ASP H H 36 7.098 7.098 7.398 -0.300 19479 3768 1 10 . 1 1 37 37 ASN N N 37 123.266 123.266 123.581 -0.315 19479 3769 1 10 . 1 1 37 37 ASN HA H 37 4.954 4.954 5.064 -0.110 19479 3770 1 10 . 1 1 37 37 ASN CA C 37 53.319 53.319 52.756 0.563 19479 3771 1 10 . 1 1 37 37 ASN CB C 37 39.610 39.610 38.529 1.081 19479 3772 1 10 . 1 1 37 37 ASN H H 37 9.116 9.116 8.712 0.404 19479 3773 1 10 . 1 1 38 38 PHE N N 38 126.469 126.469 127.767 -1.298 19479 3774 1 10 . 1 1 38 38 PHE HA H 38 3.393 3.393 3.808 -0.415 19479 3775 1 10 . 1 1 38 38 PHE CA C 38 61.965 61.965 62.688 -0.723 19479 3776 1 10 . 1 1 38 38 PHE CB C 38 40.851 40.851 38.792 2.059 19479 3777 1 10 . 1 1 38 38 PHE H H 38 9.344 9.344 8.813 0.531 19479 3778 1 10 . 1 1 39 39 PHE N N 39 112.189 112.189 114.015 -1.826 19479 3779 1 10 . 1 1 39 39 PHE HA H 39 3.933 3.933 4.567 -0.634 19479 3780 1 10 . 1 1 39 39 PHE CA C 39 59.682 59.682 60.194 -0.512 19479 3781 1 10 . 1 1 39 39 PHE CB C 39 38.040 38.040 38.540 -0.500 19479 3782 1 10 . 1 1 39 39 PHE H H 39 8.052 8.052 8.098 -0.046 19479 3783 1 10 . 1 1 40 40 GLN N N 40 119.928 119.928 119.268 0.660 19479 3784 1 10 . 1 1 40 40 GLN HA H 40 4.392 4.392 4.180 0.212 19479 3785 1 10 . 1 1 40 40 GLN CA C 40 57.191 57.191 57.981 -0.790 19479 3786 1 10 . 1 1 40 40 GLN CB C 40 29.466 29.466 28.911 0.555 19479 3787 1 10 . 1 1 40 40 GLN H H 40 8.297 8.297 7.807 0.490 19479 3788 1 10 . 1 1 41 41 ILE N N 41 110.997 110.997 117.302 -6.305 19479 3789 1 10 . 1 1 41 41 ILE HA H 41 4.493 4.493 3.840 0.653 19479 3790 1 10 . 1 1 41 41 ILE CA C 41 61.348 61.348 63.172 -1.824 19479 3791 1 10 . 1 1 41 41 ILE CB C 41 37.882 37.882 38.639 -0.757 19479 3792 1 10 . 1 1 41 41 ILE H H 41 7.133 7.133 7.976 -0.843 19479 3793 1 10 . 1 1 42 42 GLY N N 42 106.355 106.355 104.912 1.443 19479 3794 1 10 . 1 1 42 42 GLY CA C 42 44.679 44.679 44.510 0.169 19479 3795 1 10 . 1 1 42 42 GLY H H 42 7.433 7.433 7.426 0.007 19479 3796 1 10 . 1 1 43 43 GLY N N 43 107.808 107.808 108.451 -0.643 19479 3797 1 10 . 1 1 43 43 GLY CA C 43 45.389 45.389 43.967 1.422 19479 3798 1 10 . 1 1 43 43 GLY H H 43 7.826 7.826 7.668 0.158 19479 3799 1 10 . 1 1 44 44 HIS N N 44 112.337 112.337 117.614 -5.277 19479 3800 1 10 . 1 1 44 44 HIS HA H 44 4.979 4.979 5.046 -0.067 19479 3801 1 10 . 1 1 44 44 HIS CA C 44 54.773 54.773 54.413 0.360 19479 3802 1 10 . 1 1 44 44 HIS CB C 44 31.867 31.867 31.474 0.393 19479 3803 1 10 . 1 1 44 44 HIS H H 44 6.369 6.369 7.831 -1.462 19479 3804 1 10 . 1 1 45 45 ALA HA H 45 4.264 4.264 4.278 -0.014 19479 3805 1 10 . 1 1 45 45 ALA CA C 45 57.581 57.581 55.510 2.071 19479 3806 1 10 . 1 1 45 45 ALA CB C 45 18.718 18.718 18.328 0.390 19479 3807 1 10 . 1 1 46 46 LEU N N 46 117.791 117.791 118.270 -0.479 19479 3808 1 10 . 1 1 46 46 LEU HA H 46 4.420 4.420 4.095 0.325 19479 3809 1 10 . 1 1 46 46 LEU CA C 46 58.559 58.559 58.457 0.102 19479 3810 1 10 . 1 1 46 46 LEU CB C 46 41.652 41.652 42.009 -0.357 19479 3811 1 10 . 1 1 46 46 LEU H H 46 8.807 8.807 8.303 0.504 19479 3812 1 10 . 1 1 47 47 LYS N N 47 118.822 118.822 118.250 0.572 19479 3813 1 10 . 1 1 47 47 LYS HA H 47 4.200 4.200 3.863 0.337 19479 3814 1 10 . 1 1 47 47 LYS CA C 47 58.352 58.352 58.405 -0.053 19479 3815 1 10 . 1 1 47 47 LYS CB C 47 32.994 32.994 31.298 1.696 19479 3816 1 10 . 1 1 47 47 LYS H H 47 7.589 7.589 7.161 0.428 19479 3817 1 10 . 1 1 48 48 ALA N N 48 122.769 122.769 121.139 1.630 19479 3818 1 10 . 1 1 48 48 ALA HA H 48 3.575 3.575 3.508 0.067 19479 3819 1 10 . 1 1 48 48 ALA CA C 48 55.102 55.102 54.913 0.189 19479 3820 1 10 . 1 1 48 48 ALA CB C 48 18.239 18.239 17.966 0.273 19479 3821 1 10 . 1 1 48 48 ALA H H 48 8.736 8.736 8.239 0.497 19479 3822 1 10 . 1 1 49 49 MET N N 49 116.936 116.936 117.613 -0.677 19479 3823 1 10 . 1 1 49 49 MET HA H 49 4.169 4.169 4.084 0.085 19479 3824 1 10 . 1 1 49 49 MET CA C 49 58.869 58.869 59.042 -0.173 19479 3825 1 10 . 1 1 49 49 MET CB C 49 32.511 32.511 32.630 -0.119 19479 3826 1 10 . 1 1 49 49 MET H H 49 8.000 8.000 7.506 0.494 19479 3827 1 10 . 1 1 50 50 ALA N N 50 123.686 123.686 122.862 0.824 19479 3828 1 10 . 1 1 50 50 ALA HA H 50 4.401 4.401 4.083 0.318 19479 3829 1 10 . 1 1 50 50 ALA CA C 50 55.265 55.265 55.216 0.049 19479 3830 1 10 . 1 1 50 50 ALA CB C 50 18.320 18.320 17.974 0.346 19479 3831 1 10 . 1 1 50 50 ALA H H 50 7.389 7.389 7.748 -0.359 19479 3832 1 10 . 1 1 51 51 VAL N N 51 118.885 118.885 118.814 0.071 19479 3833 1 10 . 1 1 51 51 VAL HA H 51 3.437 3.437 3.644 -0.207 19479 3834 1 10 . 1 1 51 51 VAL CA C 51 66.975 66.975 65.864 1.111 19479 3835 1 10 . 1 1 51 51 VAL CB C 51 31.268 31.268 30.851 0.417 19479 3836 1 10 . 1 1 51 51 VAL H H 51 7.981 7.981 7.971 0.010 19479 3837 1 10 . 1 1 52 52 ALA N N 52 121.555 121.555 122.332 -0.777 19479 3838 1 10 . 1 1 52 52 ALA HA H 52 3.990 3.990 3.867 0.123 19479 3839 1 10 . 1 1 52 52 ALA CA C 52 56.056 56.056 55.156 0.900 19479 3840 1 10 . 1 1 52 52 ALA CB C 52 18.099 18.099 18.076 0.023 19479 3841 1 10 . 1 1 52 52 ALA H H 52 8.499 8.499 7.474 1.025 19479 3842 1 10 . 1 1 53 53 ALA N N 53 121.958 121.958 120.845 1.113 19479 3843 1 10 . 1 1 53 53 ALA HA H 53 4.346 4.346 3.919 0.427 19479 3844 1 10 . 1 1 53 53 ALA CA C 53 55.454 55.454 55.216 0.238 19479 3845 1 10 . 1 1 53 53 ALA CB C 53 18.079 18.079 18.279 -0.200 19479 3846 1 10 . 1 1 53 53 ALA H H 53 8.238 8.238 8.075 0.163 19479 3847 1 10 . 1 1 54 54 GLN N N 54 118.520 118.520 117.955 0.565 19479 3848 1 10 . 1 1 54 54 GLN HA H 54 4.157 4.157 4.157 0.001 19479 3849 1 10 . 1 1 54 54 GLN CA C 54 59.303 59.303 58.501 0.802 19479 3850 1 10 . 1 1 54 54 GLN CB C 54 28.684 28.684 28.885 -0.201 19479 3851 1 10 . 1 1 54 54 GLN H H 54 7.914 7.914 7.810 0.104 19479 3852 1 10 . 1 1 55 55 VAL N N 55 121.643 121.643 121.559 0.084 19479 3853 1 10 . 1 1 55 55 VAL HA H 55 3.673 3.673 3.818 -0.145 19479 3854 1 10 . 1 1 55 55 VAL CA C 55 67.521 67.521 67.176 0.345 19479 3855 1 10 . 1 1 55 55 VAL CB C 55 31.569 31.569 31.750 -0.181 19479 3856 1 10 . 1 1 55 55 VAL H H 55 8.915 8.915 8.412 0.503 19479 3857 1 10 . 1 1 56 56 HIS N N 56 120.993 120.993 119.466 1.527 19479 3858 1 10 . 1 1 56 56 HIS HA H 56 4.314 4.314 4.588 -0.274 19479 3859 1 10 . 1 1 56 56 HIS CA C 56 60.994 60.994 58.879 2.115 19479 3860 1 10 . 1 1 56 56 HIS CB C 56 30.226 30.226 29.842 0.384 19479 3861 1 10 . 1 1 56 56 HIS H H 56 8.328 8.328 8.608 -0.280 19479 3862 1 10 . 1 1 57 57 ARG N N 57 119.241 119.241 117.575 1.666 19479 3863 1 10 . 1 1 57 57 ARG HA H 57 3.963 3.963 4.169 -0.206 19479 3864 1 10 . 1 1 57 57 ARG CA C 57 59.269 59.269 58.552 0.717 19479 3865 1 10 . 1 1 57 57 ARG CB C 57 30.220 30.220 29.903 0.317 19479 3866 1 10 . 1 1 57 57 ARG H H 57 7.849 7.849 7.641 0.208 19479 3867 1 10 . 1 1 58 58 GLU N N 58 116.079 116.079 119.172 -3.093 19479 3868 1 10 . 1 1 58 58 GLU HA H 58 3.944 3.944 4.209 -0.265 19479 3869 1 10 . 1 1 58 58 GLU CA C 58 58.351 58.351 58.436 -0.085 19479 3870 1 10 . 1 1 58 58 GLU CB C 58 30.571 30.571 30.333 0.238 19479 3871 1 10 . 1 1 58 58 GLU H H 58 7.874 7.874 8.027 -0.153 19479 3872 1 10 . 1 1 59 59 TYR N N 59 112.274 112.274 116.579 -4.305 19479 3873 1 10 . 1 1 59 59 TYR HA H 59 4.686 4.686 4.548 0.138 19479 3874 1 10 . 1 1 59 59 TYR CA C 59 58.616 58.616 58.031 0.585 19479 3875 1 10 . 1 1 59 59 TYR CB C 59 40.589 40.589 38.264 2.325 19479 3876 1 10 . 1 1 59 59 TYR H H 59 8.303 8.303 8.469 -0.166 19479 3877 1 10 . 1 1 60 60 GLN N N 60 115.629 115.629 115.703 -0.074 19479 3878 1 10 . 1 1 60 60 GLN HA H 60 3.481 3.481 4.260 -0.779 19479 3879 1 10 . 1 1 60 60 GLN CA C 60 57.418 57.418 56.819 0.599 19479 3880 1 10 . 1 1 60 60 GLN CB C 60 25.628 25.628 26.658 -1.030 19479 3881 1 10 . 1 1 60 60 GLN H H 60 8.382 8.382 7.794 0.588 19479 3882 1 10 . 1 1 61 61 VAL N N 61 114.547 114.547 116.448 -1.901 19479 3883 1 10 . 1 1 61 61 VAL HA H 61 4.347 4.347 4.251 0.096 19479 3884 1 10 . 1 1 61 61 VAL CA C 61 60.118 60.118 60.392 -0.274 19479 3885 1 10 . 1 1 61 61 VAL CB C 61 35.547 35.547 34.119 1.428 19479 3886 1 10 . 1 1 61 61 VAL H H 61 6.532 6.532 8.018 -1.486 19479 3887 1 10 . 1 1 62 62 GLU N N 62 125.938 125.938 128.700 -2.762 19479 3888 1 10 . 1 1 62 62 GLU HA H 62 4.270 4.270 3.421 0.849 19479 3889 1 10 . 1 1 62 62 GLU CA C 62 55.857 55.857 57.087 -1.230 19479 3890 1 10 . 1 1 62 62 GLU CB C 62 30.334 30.334 29.678 0.656 19479 3891 1 10 . 1 1 62 62 GLU H H 62 8.741 8.741 8.264 0.477 19479 3892 1 10 . 1 1 63 63 LEU N N 63 127.837 127.837 128.362 -0.525 19479 3893 1 10 . 1 1 63 63 LEU HA H 63 4.845 4.845 4.815 0.030 19479 3894 1 10 . 1 1 63 63 LEU CA C 63 50.751 50.751 51.405 -0.654 19479 3895 1 10 . 1 1 63 63 LEU CB C 63 43.313 43.313 43.108 0.205 19479 3896 1 10 . 1 1 63 63 LEU H H 63 8.939 8.939 8.463 0.476 19479 3897 1 10 . 1 1 64 64 PRO HA H 64 4.446 4.446 4.500 -0.054 19479 3898 1 10 . 1 1 64 64 PRO CA C 64 62.060 62.060 62.181 -0.121 19479 3899 1 10 . 1 1 64 64 PRO CB C 64 32.346 32.346 32.636 -0.290 19479 3900 1 10 . 1 1 65 65 LEU N N 65 126.325 126.325 124.607 1.718 19479 3901 1 10 . 1 1 65 65 LEU HA H 65 3.772 3.772 3.930 -0.158 19479 3902 1 10 . 1 1 65 65 LEU CA C 65 58.426 58.426 57.554 0.872 19479 3903 1 10 . 1 1 65 65 LEU CB C 65 40.688 40.688 41.591 -0.903 19479 3904 1 10 . 1 1 65 65 LEU H H 65 8.746 8.746 8.811 -0.065 19479 3905 1 10 . 1 1 66 66 LYS N N 66 114.157 114.157 117.720 -3.563 19479 3906 1 10 . 1 1 66 66 LYS HA H 66 3.999 3.999 4.280 -0.281 19479 3907 1 10 . 1 1 66 66 LYS CA C 66 59.383 59.383 59.299 0.084 19479 3908 1 10 . 1 1 66 66 LYS CB C 66 32.166 32.166 31.688 0.478 19479 3909 1 10 . 1 1 66 66 LYS H H 66 8.551 8.551 8.063 0.488 19479 3910 1 10 . 1 1 67 67 VAL N N 67 119.827 119.827 119.169 0.658 19479 3911 1 10 . 1 1 67 67 VAL HA H 67 3.611 3.611 3.673 -0.062 19479 3912 1 10 . 1 1 67 67 VAL CA C 67 65.655 65.655 64.486 1.169 19479 3913 1 10 . 1 1 67 67 VAL CB C 67 31.425 31.425 31.324 0.101 19479 3914 1 10 . 1 1 67 67 VAL H H 67 7.190 7.190 7.791 -0.601 19479 3915 1 10 . 1 1 68 68 LEU N N 68 120.867 120.867 122.817 -1.950 19479 3916 1 10 . 1 1 68 68 LEU HA H 68 3.922 3.922 3.861 0.061 19479 3917 1 10 . 1 1 68 68 LEU CA C 68 58.322 58.322 57.871 0.451 19479 3918 1 10 . 1 1 68 68 LEU CB C 68 41.911 41.911 40.844 1.067 19479 3919 1 10 . 1 1 68 68 LEU H H 68 6.936 6.936 7.302 -0.366 19479 3920 1 10 . 1 1 69 69 PHE N N 69 112.682 112.682 117.379 -4.697 19479 3921 1 10 . 1 1 69 69 PHE HA H 69 4.265 4.265 4.655 -0.390 19479 3922 1 10 . 1 1 69 69 PHE CA C 69 60.265 60.265 60.016 0.249 19479 3923 1 10 . 1 1 69 69 PHE CB C 69 38.725 38.725 38.236 0.489 19479 3924 1 10 . 1 1 69 69 PHE H H 69 8.201 8.201 8.532 -0.331 19479 3925 1 10 . 1 1 70 70 ALA N N 70 118.803 118.803 121.881 -3.078 19479 3926 1 10 . 1 1 70 70 ALA HA H 70 4.302 4.302 3.665 0.637 19479 3927 1 10 . 1 1 70 70 ALA CA C 70 54.025 54.025 53.383 0.642 19479 3928 1 10 . 1 1 70 70 ALA CB C 70 19.656 19.656 18.928 0.728 19479 3929 1 10 . 1 1 70 70 ALA H H 70 7.448 7.448 7.034 0.414 19479 3930 1 10 . 1 1 71 71 GLN N N 71 116.280 116.280 115.444 0.836 19479 3931 1 10 . 1 1 71 71 GLN HA H 71 4.848 4.848 4.729 0.119 19479 3932 1 10 . 1 1 71 71 GLN CA C 71 53.120 53.120 52.256 0.864 19479 3933 1 10 . 1 1 71 71 GLN CB C 71 29.026 29.026 29.851 -0.825 19479 3934 1 10 . 1 1 71 71 GLN H H 71 7.561 7.561 7.923 -0.362 19479 3935 1 10 . 1 1 72 72 PRO HA H 72 4.989 4.989 4.636 0.352 19479 3936 1 10 . 1 1 72 72 PRO CA C 72 64.307 64.307 63.012 1.295 19479 3937 1 10 . 1 1 72 72 PRO CB C 72 30.240 30.240 30.538 -0.298 19479 3938 1 10 . 1 1 73 73 THR N N 73 109.972 109.972 111.035 -1.063 19479 3939 1 10 . 1 1 73 73 THR HA H 73 5.198 5.198 5.198 -0.000 19479 3940 1 10 . 1 1 73 73 THR CA C 73 59.292 59.292 59.394 -0.102 19479 3941 1 10 . 1 1 73 73 THR CB C 73 72.314 72.314 72.908 -0.594 19479 3942 1 10 . 1 1 73 73 THR H H 73 8.303 8.303 8.030 0.273 19479 3943 1 10 . 1 1 74 74 ILE N N 74 125.105 125.105 123.839 1.266 19479 3944 1 10 . 1 1 74 74 ILE HA H 74 3.061 3.061 3.375 -0.314 19479 3945 1 10 . 1 1 74 74 ILE CA C 74 66.019 66.019 63.632 2.387 19479 3946 1 10 . 1 1 74 74 ILE CB C 74 37.443 37.443 36.824 0.619 19479 3947 1 10 . 1 1 74 74 ILE H H 74 9.908 9.908 9.085 0.823 19479 3948 1 10 . 1 1 75 75 LYS N N 75 119.445 119.445 121.240 -1.795 19479 3949 1 10 . 1 1 75 75 LYS HA H 75 3.797 3.797 4.122 -0.325 19479 3950 1 10 . 1 1 75 75 LYS CA C 75 60.205 60.205 60.206 -0.001 19479 3951 1 10 . 1 1 75 75 LYS CB C 75 33.098 33.098 32.151 0.947 19479 3952 1 10 . 1 1 75 75 LYS H H 75 9.024 9.024 8.284 0.741 19479 3953 1 10 . 1 1 76 76 ALA N N 76 119.581 119.581 120.830 -1.249 19479 3954 1 10 . 1 1 76 76 ALA HA H 76 4.216 4.216 4.134 0.082 19479 3955 1 10 . 1 1 76 76 ALA CA C 76 54.809 54.809 54.904 -0.095 19479 3956 1 10 . 1 1 76 76 ALA CB C 76 19.422 19.422 18.053 1.369 19479 3957 1 10 . 1 1 76 76 ALA H H 76 7.621 7.621 8.203 -0.582 19479 3958 1 10 . 1 1 77 77 LEU N N 77 121.833 121.833 118.787 3.046 19479 3959 1 10 . 1 1 77 77 LEU HA H 77 4.097 4.097 3.958 0.139 19479 3960 1 10 . 1 1 77 77 LEU CA C 77 57.612 57.612 57.618 -0.006 19479 3961 1 10 . 1 1 77 77 LEU CB C 77 42.192 42.192 41.411 0.781 19479 3962 1 10 . 1 1 77 77 LEU H H 77 8.915 8.915 7.896 1.019 19479 3963 1 10 . 1 1 78 78 ALA N N 78 120.481 120.481 122.497 -2.016 19479 3964 1 10 . 1 1 78 78 ALA HA H 78 3.751 3.751 3.889 -0.138 19479 3965 1 10 . 1 1 78 78 ALA CA C 78 55.117 55.117 55.587 -0.470 19479 3966 1 10 . 1 1 78 78 ALA CB C 78 19.603 19.603 18.276 1.327 19479 3967 1 10 . 1 1 78 78 ALA H H 78 9.393 9.393 8.645 0.748 19479 3968 1 10 . 1 1 79 79 GLN N N 79 117.799 117.799 117.640 0.159 19479 3969 1 10 . 1 1 79 79 GLN HA H 79 4.069 4.069 3.997 0.072 19479 3970 1 10 . 1 1 79 79 GLN CA C 79 58.790 58.790 58.525 0.265 19479 3971 1 10 . 1 1 79 79 GLN CB C 79 28.256 28.256 28.474 -0.217 19479 3972 1 10 . 1 1 79 79 GLN H H 79 7.179 7.179 7.973 -0.794 19479 3973 1 10 . 1 1 80 80 TYR N N 80 121.754 121.754 122.427 -0.673 19479 3974 1 10 . 1 1 80 80 TYR HA H 80 3.982 3.982 4.108 -0.126 19479 3975 1 10 . 1 1 80 80 TYR CA C 80 61.965 61.965 61.503 0.462 19479 3976 1 10 . 1 1 80 80 TYR CB C 80 38.227 38.227 38.775 -0.548 19479 3977 1 10 . 1 1 80 80 TYR H H 80 7.716 7.716 7.918 -0.202 19479 3978 1 10 . 1 1 81 81 VAL N N 81 117.864 117.864 118.780 -0.916 19479 3979 1 10 . 1 1 81 81 VAL HA H 81 3.264 3.264 3.445 -0.181 19479 3980 1 10 . 1 1 81 81 VAL CA C 81 66.719 66.719 66.269 0.450 19479 3981 1 10 . 1 1 81 81 VAL CB C 81 32.032 32.032 31.003 1.029 19479 3982 1 10 . 1 1 81 81 VAL H H 81 8.536 8.536 8.666 -0.130 19479 3983 1 10 . 1 1 82 82 ALA N N 82 121.044 121.044 122.282 -1.238 19479 3984 1 10 . 1 1 82 82 ALA HA H 82 3.931 3.931 4.016 -0.085 19479 3985 1 10 . 1 1 82 82 ALA CA C 82 55.130 55.130 55.663 -0.533 19479 3986 1 10 . 1 1 82 82 ALA CB C 82 18.588 18.588 18.261 0.327 19479 3987 1 10 . 1 1 82 82 ALA H H 82 8.420 8.420 8.379 0.041 19479 3988 1 10 . 1 1 83 83 THR N N 83 109.020 109.020 110.764 -1.744 19479 3989 1 10 . 1 1 83 83 THR HA H 83 4.081 4.081 4.117 -0.036 19479 3990 1 10 . 1 1 83 83 THR CA C 83 64.388 64.388 64.513 -0.125 19479 3991 1 10 . 1 1 83 83 THR CB C 83 69.529 69.529 68.625 0.904 19479 3992 1 10 . 1 1 83 83 THR H H 83 7.558 7.558 7.596 -0.038 19479 3993 1 10 . 1 1 84 84 ARG N N 84 119.856 119.856 119.676 0.180 19479 3994 1 10 . 1 1 84 84 ARG HA H 84 4.199 4.199 4.186 0.013 19479 3995 1 10 . 1 1 84 84 ARG CA C 84 56.279 56.279 58.503 -2.224 19479 3996 1 10 . 1 1 84 84 ARG CB C 84 30.866 30.866 30.230 0.636 19479 3997 1 10 . 1 1 84 84 ARG H H 84 7.368 7.368 7.247 0.121 19479 3998 1 10 . 1 1 85 85 SER N N 85 114.607 114.607 111.303 3.304 19479 3999 1 10 . 1 1 85 85 SER HA H 85 4.301 4.301 4.338 -0.037 19479 4000 1 10 . 1 1 85 85 SER CA C 85 58.927 58.927 58.207 0.720 19479 4001 1 10 . 1 1 85 85 SER CB C 85 63.778 63.778 63.530 0.248 19479 4002 1 10 . 1 1 85 85 SER H H 85 7.783 7.783 7.835 -0.052 19479 4003 1 10 . 1 1 86 86 HIS HA H 86 4.608 4.608 4.378 0.230 19479 4004 1 10 . 1 1 86 86 HIS CA C 86 56.102 56.102 56.815 -0.713 19479 4005 1 10 . 1 1 86 86 HIS CB C 86 30.233 30.233 30.019 0.214 19479 4006 1 10 . 1 1 87 87 HIS N N 87 125.453 125.453 128.951 -3.498 19479 4007 1 10 . 1 1 87 87 HIS HA H 87 4.421 4.421 4.494 -0.073 19479 4008 1 10 . 1 1 87 87 HIS CA C 87 57.381 57.381 55.825 1.556 19479 4009 1 10 . 1 1 87 87 HIS CB C 87 30.430 30.430 27.477 2.953 19479 4010 1 10 . 1 1 87 87 HIS H H 87 8.102 8.102 8.782 -0.680 19479 4011 1 11 . 1 1 3 3 VAL HA H 3 4.160 4.160 4.464 -0.304 19479 4012 1 11 . 1 1 3 3 VAL CA C 3 63.130 63.130 60.609 2.521 19479 4013 1 11 . 1 1 3 3 VAL CB C 3 32.605 32.605 34.998 -2.393 19479 4014 1 11 . 1 1 4 4 THR N N 4 117.074 117.074 114.940 2.134 19479 4015 1 11 . 1 1 4 4 THR HA H 4 4.454 4.454 4.381 0.073 19479 4016 1 11 . 1 1 4 4 THR CA C 4 61.454 61.454 61.971 -0.517 19479 4017 1 11 . 1 1 4 4 THR CB C 4 70.203 70.203 68.014 2.189 19479 4018 1 11 . 1 1 4 4 THR H H 4 8.269 8.269 8.296 -0.027 19479 4019 1 11 . 1 1 5 5 GLU N N 5 122.628 122.628 118.220 4.408 19479 4020 1 11 . 1 1 5 5 GLU HA H 5 4.305 4.305 3.925 0.380 19479 4021 1 11 . 1 1 5 5 GLU CA C 5 56.689 56.689 57.386 -0.697 19479 4022 1 11 . 1 1 5 5 GLU CB C 5 30.297 30.297 28.336 1.961 19479 4023 1 11 . 1 1 5 5 GLU H H 5 8.465 8.465 8.212 0.253 19479 4024 1 11 . 1 1 6 6 ALA N N 6 124.915 124.915 120.041 4.874 19479 4025 1 11 . 1 1 6 6 ALA HA H 6 4.301 4.301 4.141 0.160 19479 4026 1 11 . 1 1 6 6 ALA CA C 6 52.392 52.392 53.492 -1.100 19479 4027 1 11 . 1 1 6 6 ALA CB C 6 19.520 19.520 18.814 0.706 19479 4028 1 11 . 1 1 6 6 ALA H H 6 8.333 8.333 7.861 0.472 19479 4029 1 11 . 1 1 7 7 GLN N N 7 120.476 120.476 118.226 2.250 19479 4030 1 11 . 1 1 7 7 GLN HA H 7 4.275 4.275 4.282 -0.007 19479 4031 1 11 . 1 1 7 7 GLN CA C 7 55.512 55.512 55.530 -0.018 19479 4032 1 11 . 1 1 7 7 GLN CB C 7 29.495 29.495 29.274 0.221 19479 4033 1 11 . 1 1 7 7 GLN H H 7 8.340 8.340 7.651 0.689 19479 4034 1 11 . 1 1 8 8 TYR N N 8 124.499 124.499 126.186 -1.687 19479 4035 1 11 . 1 1 8 8 TYR HA H 8 4.386 4.386 4.415 -0.029 19479 4036 1 11 . 1 1 8 8 TYR CA C 8 60.233 60.233 58.757 1.476 19479 4037 1 11 . 1 1 8 8 TYR CB C 8 38.173 38.173 38.444 -0.271 19479 4038 1 11 . 1 1 8 8 TYR H H 8 8.506 8.506 8.445 0.061 19479 4039 1 11 . 1 1 9 9 VAL N N 9 130.011 130.011 130.281 -0.270 19479 4040 1 11 . 1 1 9 9 VAL HA H 9 3.748 3.748 3.828 -0.080 19479 4041 1 11 . 1 1 9 9 VAL CA C 9 61.317 61.317 60.982 0.335 19479 4042 1 11 . 1 1 9 9 VAL CB C 9 34.738 34.738 35.348 -0.610 19479 4043 1 11 . 1 1 9 9 VAL H H 9 6.756 6.756 8.423 -1.667 19479 4044 1 11 . 1 1 10 10 ALA N N 10 130.264 130.264 130.621 -0.357 19479 4045 1 11 . 1 1 10 10 ALA HA H 10 4.172 4.172 4.471 -0.299 19479 4046 1 11 . 1 1 10 10 ALA CA C 10 50.602 50.602 50.197 0.405 19479 4047 1 11 . 1 1 10 10 ALA CB C 10 17.676 17.676 18.148 -0.472 19479 4048 1 11 . 1 1 10 10 ALA H H 10 8.125 8.125 8.025 0.100 19479 4049 1 11 . 1 1 11 11 PRO HA H 11 4.186 4.186 4.401 -0.215 19479 4050 1 11 . 1 1 11 11 PRO CA C 11 63.808 63.808 62.957 0.851 19479 4051 1 11 . 1 1 11 11 PRO CB C 11 32.674 32.674 32.514 0.160 19479 4052 1 11 . 1 1 12 12 THR N N 12 113.591 113.591 113.764 -0.173 19479 4053 1 11 . 1 1 12 12 THR HA H 12 4.469 4.469 4.358 0.111 19479 4054 1 11 . 1 1 12 12 THR CA C 12 61.950 61.950 61.635 0.315 19479 4055 1 11 . 1 1 12 12 THR CB C 12 71.622 71.622 69.234 2.389 19479 4056 1 11 . 1 1 12 12 THR H H 12 9.701 9.701 8.149 1.552 19479 4057 1 11 . 1 1 13 13 ASN N N 13 116.088 116.088 118.361 -2.273 19479 4058 1 11 . 1 1 13 13 ASN HA H 13 4.771 4.771 4.824 -0.053 19479 4059 1 11 . 1 1 13 13 ASN CA C 13 51.947 51.947 51.635 0.312 19479 4060 1 11 . 1 1 13 13 ASN CB C 13 39.736 39.736 40.234 -0.499 19479 4061 1 11 . 1 1 13 13 ASN H H 13 7.423 7.423 7.671 -0.248 19479 4062 1 11 . 1 1 14 14 ALA HA H 14 4.136 4.136 4.046 0.090 19479 4063 1 11 . 1 1 14 14 ALA CA C 14 55.484 55.484 54.931 0.553 19479 4064 1 11 . 1 1 14 14 ALA CB C 14 19.020 19.020 18.385 0.635 19479 4065 1 11 . 1 1 15 15 VAL N N 15 120.332 120.332 118.478 1.854 19479 4066 1 11 . 1 1 15 15 VAL HA H 15 4.191 4.191 3.773 0.418 19479 4067 1 11 . 1 1 15 15 VAL CA C 15 65.158 65.158 65.959 -0.801 19479 4068 1 11 . 1 1 15 15 VAL CB C 15 31.513 31.513 31.038 0.475 19479 4069 1 11 . 1 1 15 15 VAL H H 15 7.938 7.938 8.273 -0.335 19479 4070 1 11 . 1 1 16 16 GLU N N 16 118.751 118.751 119.954 -1.203 19479 4071 1 11 . 1 1 16 16 GLU HA H 16 3.550 3.550 3.877 -0.327 19479 4072 1 11 . 1 1 16 16 GLU CA C 16 59.495 59.495 59.592 -0.097 19479 4073 1 11 . 1 1 16 16 GLU CB C 16 30.851 30.851 28.969 1.882 19479 4074 1 11 . 1 1 16 16 GLU H H 16 8.470 8.470 7.848 0.622 19479 4075 1 11 . 1 1 17 17 SER N N 17 112.637 112.637 113.359 -0.722 19479 4076 1 11 . 1 1 17 17 SER HA H 17 3.968 3.968 4.141 -0.173 19479 4077 1 11 . 1 1 17 17 SER CA C 17 62.523 62.523 61.181 1.342 19479 4078 1 11 . 1 1 17 17 SER CB C 17 62.669 62.669 62.913 -0.244 19479 4079 1 11 . 1 1 17 17 SER H H 17 8.386 8.386 8.137 0.249 19479 4080 1 11 . 1 1 18 18 LYS N N 18 124.394 124.394 121.471 2.923 19479 4081 1 11 . 1 1 18 18 LYS HA H 18 4.287 4.287 4.168 0.119 19479 4082 1 11 . 1 1 18 18 LYS CA C 18 57.421 57.421 58.745 -1.324 19479 4083 1 11 . 1 1 18 18 LYS CB C 18 30.018 30.018 32.579 -2.561 19479 4084 1 11 . 1 1 18 18 LYS H H 18 8.104 8.104 7.557 0.547 19479 4085 1 11 . 1 1 19 19 LEU N N 19 118.589 118.589 119.852 -1.263 19479 4086 1 11 . 1 1 19 19 LEU HA H 19 4.027 4.027 4.183 -0.156 19479 4087 1 11 . 1 1 19 19 LEU CA C 19 58.178 58.178 57.839 0.339 19479 4088 1 11 . 1 1 19 19 LEU CB C 19 42.135 42.135 41.653 0.482 19479 4089 1 11 . 1 1 19 19 LEU H H 19 8.742 8.742 7.745 0.997 19479 4090 1 11 . 1 1 20 20 ALA N N 20 121.037 121.037 121.177 -0.140 19479 4091 1 11 . 1 1 20 20 ALA HA H 20 3.775 3.775 3.551 0.224 19479 4092 1 11 . 1 1 20 20 ALA CA C 20 56.194 56.194 55.224 0.970 19479 4093 1 11 . 1 1 20 20 ALA CB C 20 16.862 16.862 18.107 -1.245 19479 4094 1 11 . 1 1 20 20 ALA H H 20 8.199 8.199 7.968 0.231 19479 4095 1 11 . 1 1 21 21 GLU N N 21 118.948 118.948 117.466 1.482 19479 4096 1 11 . 1 1 21 21 GLU HA H 21 4.129 4.129 4.023 0.106 19479 4097 1 11 . 1 1 21 21 GLU CA C 21 59.788 59.788 59.643 0.145 19479 4098 1 11 . 1 1 21 21 GLU CB C 21 29.887 29.887 29.367 0.520 19479 4099 1 11 . 1 1 21 21 GLU H H 21 7.716 7.716 8.372 -0.656 19479 4100 1 11 . 1 1 22 22 ILE N N 22 120.355 120.355 118.922 1.433 19479 4101 1 11 . 1 1 22 22 ILE HA H 22 3.780 3.780 4.001 -0.221 19479 4102 1 11 . 1 1 22 22 ILE CA C 22 65.850 65.850 63.194 2.656 19479 4103 1 11 . 1 1 22 22 ILE CB C 22 38.677 38.677 36.462 2.215 19479 4104 1 11 . 1 1 22 22 ILE H H 22 8.409 8.409 8.211 0.198 19479 4105 1 11 . 1 1 23 23 TRP N N 23 120.272 120.272 119.374 0.898 19479 4106 1 11 . 1 1 23 23 TRP HA H 23 4.191 4.191 4.416 -0.225 19479 4107 1 11 . 1 1 23 23 TRP CA C 23 61.819 61.819 61.037 0.782 19479 4108 1 11 . 1 1 23 23 TRP CB C 23 29.177 29.177 28.109 1.068 19479 4109 1 11 . 1 1 23 23 TRP H H 23 9.551 9.551 8.015 1.536 19479 4110 1 11 . 1 1 24 24 GLU N N 24 119.281 119.281 120.110 -0.829 19479 4111 1 11 . 1 1 24 24 GLU HA H 24 4.210 4.210 4.312 -0.102 19479 4112 1 11 . 1 1 24 24 GLU CA C 24 60.695 60.695 59.526 1.169 19479 4113 1 11 . 1 1 24 24 GLU CB C 24 29.397 29.397 29.357 0.040 19479 4114 1 11 . 1 1 24 24 GLU H H 24 9.039 9.039 7.646 1.393 19479 4115 1 11 . 1 1 25 25 ARG N N 25 119.408 119.408 118.954 0.454 19479 4116 1 11 . 1 1 25 25 ARG HA H 25 4.205 4.205 4.144 0.061 19479 4117 1 11 . 1 1 25 25 ARG CA C 25 59.015 59.015 58.504 0.511 19479 4118 1 11 . 1 1 25 25 ARG CB C 25 30.246 30.246 29.912 0.334 19479 4119 1 11 . 1 1 25 25 ARG H H 25 8.060 8.060 7.898 0.162 19479 4120 1 11 . 1 1 26 26 VAL N N 26 119.220 119.220 118.106 1.114 19479 4121 1 11 . 1 1 26 26 VAL HA H 26 3.782 3.782 3.966 -0.184 19479 4122 1 11 . 1 1 26 26 VAL CA C 26 65.845 65.845 65.195 0.650 19479 4123 1 11 . 1 1 26 26 VAL CB C 26 32.717 32.717 31.999 0.718 19479 4124 1 11 . 1 1 26 26 VAL H H 26 8.475 8.475 7.908 0.567 19479 4125 1 11 . 1 1 27 27 LEU N N 27 116.095 116.095 116.181 -0.086 19479 4126 1 11 . 1 1 27 27 LEU HA H 27 4.018 4.018 4.167 -0.149 19479 4127 1 11 . 1 1 27 27 LEU CA C 27 55.757 55.757 55.444 0.313 19479 4128 1 11 . 1 1 27 27 LEU CB C 27 42.504 42.504 42.288 0.216 19479 4129 1 11 . 1 1 27 27 LEU H H 27 9.005 9.005 8.059 0.946 19479 4130 1 11 . 1 1 28 28 GLY N N 28 108.722 108.722 107.844 0.878 19479 4131 1 11 . 1 1 28 28 GLY CA C 28 46.721 46.721 45.466 1.255 19479 4132 1 11 . 1 1 28 28 GLY H H 28 8.056 8.056 8.028 0.028 19479 4133 1 11 . 1 1 29 29 VAL N N 29 115.103 115.103 117.484 -2.381 19479 4134 1 11 . 1 1 29 29 VAL HA H 29 4.457 4.457 4.497 -0.040 19479 4135 1 11 . 1 1 29 29 VAL CA C 29 59.845 59.845 60.088 -0.243 19479 4136 1 11 . 1 1 29 29 VAL CB C 29 35.477 35.477 34.821 0.656 19479 4137 1 11 . 1 1 29 29 VAL H H 29 7.044 7.044 7.403 -0.359 19479 4138 1 11 . 1 1 30 30 SER N N 30 115.417 115.417 115.746 -0.329 19479 4139 1 11 . 1 1 30 30 SER HA H 30 4.683 4.683 4.730 -0.047 19479 4140 1 11 . 1 1 30 30 SER CA C 30 56.970 56.970 57.439 -0.469 19479 4141 1 11 . 1 1 30 30 SER CB C 30 65.294 65.294 65.020 0.274 19479 4142 1 11 . 1 1 30 30 SER H H 30 8.151 8.151 8.274 -0.123 19479 4143 1 11 . 1 1 31 31 GLY N N 31 112.008 112.008 110.781 1.227 19479 4144 1 11 . 1 1 31 31 GLY CA C 31 46.545 46.545 44.847 1.698 19479 4145 1 11 . 1 1 31 31 GLY H H 31 8.573 8.573 9.031 -0.458 19479 4146 1 11 . 1 1 32 32 ILE N N 32 121.204 121.204 121.747 -0.543 19479 4147 1 11 . 1 1 32 32 ILE HA H 32 3.898 3.898 4.249 -0.351 19479 4148 1 11 . 1 1 32 32 ILE CA C 32 63.126 63.126 60.075 3.050 19479 4149 1 11 . 1 1 32 32 ILE CB C 32 38.993 38.993 36.645 2.348 19479 4150 1 11 . 1 1 32 32 ILE H H 32 8.241 8.241 7.689 0.552 19479 4151 1 11 . 1 1 33 33 GLY N N 33 115.038 115.038 114.864 0.174 19479 4152 1 11 . 1 1 33 33 GLY CA C 33 44.330 44.330 43.403 0.927 19479 4153 1 11 . 1 1 33 33 GLY H H 33 8.760 8.760 8.848 -0.088 19479 4154 1 11 . 1 1 34 34 ILE N N 34 110.067 110.067 119.487 -9.420 19479 4155 1 11 . 1 1 34 34 ILE HA H 34 4.017 4.017 3.875 0.142 19479 4156 1 11 . 1 1 34 34 ILE CA C 34 64.500 64.500 64.364 0.136 19479 4157 1 11 . 1 1 34 34 ILE CB C 34 37.731 37.731 37.968 -0.237 19479 4158 1 11 . 1 1 34 34 ILE H H 34 8.566 8.566 8.742 -0.176 19479 4159 1 11 . 1 1 35 35 LEU N N 35 117.052 117.052 112.847 4.205 19479 4160 1 11 . 1 1 35 35 LEU HA H 35 4.692 4.692 4.668 0.024 19479 4161 1 11 . 1 1 35 35 LEU CA C 35 53.247 53.247 53.329 -0.082 19479 4162 1 11 . 1 1 35 35 LEU CB C 35 42.094 42.094 40.977 1.117 19479 4163 1 11 . 1 1 35 35 LEU H H 35 8.191 8.191 7.880 0.311 19479 4164 1 11 . 1 1 36 36 ASP N N 36 121.535 121.535 123.265 -1.730 19479 4165 1 11 . 1 1 36 36 ASP HA H 36 4.387 4.387 4.577 -0.190 19479 4166 1 11 . 1 1 36 36 ASP CA C 36 55.244 55.244 55.428 -0.184 19479 4167 1 11 . 1 1 36 36 ASP CB C 36 41.170 41.170 41.610 -0.440 19479 4168 1 11 . 1 1 36 36 ASP H H 36 7.098 7.098 7.405 -0.307 19479 4169 1 11 . 1 1 37 37 ASN N N 37 123.266 123.266 123.561 -0.295 19479 4170 1 11 . 1 1 37 37 ASN HA H 37 4.954 4.954 5.138 -0.184 19479 4171 1 11 . 1 1 37 37 ASN CA C 37 53.319 53.319 53.411 -0.092 19479 4172 1 11 . 1 1 37 37 ASN CB C 37 39.610 39.610 39.124 0.486 19479 4173 1 11 . 1 1 37 37 ASN H H 37 9.116 9.116 8.557 0.559 19479 4174 1 11 . 1 1 38 38 PHE N N 38 126.469 126.469 128.239 -1.770 19479 4175 1 11 . 1 1 38 38 PHE HA H 38 3.393 3.393 3.797 -0.404 19479 4176 1 11 . 1 1 38 38 PHE CA C 38 61.965 61.965 62.468 -0.503 19479 4177 1 11 . 1 1 38 38 PHE CB C 38 40.851 40.851 38.797 2.054 19479 4178 1 11 . 1 1 38 38 PHE H H 38 9.344 9.344 8.791 0.553 19479 4179 1 11 . 1 1 39 39 PHE N N 39 112.189 112.189 114.731 -2.542 19479 4180 1 11 . 1 1 39 39 PHE HA H 39 3.933 3.933 4.071 -0.138 19479 4181 1 11 . 1 1 39 39 PHE CA C 39 59.682 59.682 61.123 -1.441 19479 4182 1 11 . 1 1 39 39 PHE CB C 39 38.040 38.040 38.420 -0.380 19479 4183 1 11 . 1 1 39 39 PHE H H 39 8.052 8.052 8.012 0.040 19479 4184 1 11 . 1 1 40 40 GLN N N 40 119.928 119.928 119.047 0.881 19479 4185 1 11 . 1 1 40 40 GLN HA H 40 4.392 4.392 4.185 0.207 19479 4186 1 11 . 1 1 40 40 GLN CA C 40 57.191 57.191 57.856 -0.665 19479 4187 1 11 . 1 1 40 40 GLN CB C 40 29.466 29.466 28.515 0.951 19479 4188 1 11 . 1 1 40 40 GLN H H 40 8.297 8.297 7.996 0.301 19479 4189 1 11 . 1 1 41 41 ILE N N 41 110.997 110.997 118.530 -7.533 19479 4190 1 11 . 1 1 41 41 ILE HA H 41 4.493 4.493 4.047 0.446 19479 4191 1 11 . 1 1 41 41 ILE CA C 41 61.348 61.348 61.319 0.029 19479 4192 1 11 . 1 1 41 41 ILE CB C 41 37.882 37.882 37.831 0.051 19479 4193 1 11 . 1 1 41 41 ILE H H 41 7.133 7.133 7.431 -0.298 19479 4194 1 11 . 1 1 42 42 GLY N N 42 106.355 106.355 107.348 -0.993 19479 4195 1 11 . 1 1 42 42 GLY CA C 42 44.679 44.679 44.638 0.041 19479 4196 1 11 . 1 1 42 42 GLY H H 42 7.433 7.433 7.679 -0.246 19479 4197 1 11 . 1 1 43 43 GLY N N 43 107.808 107.808 109.061 -1.253 19479 4198 1 11 . 1 1 43 43 GLY CA C 43 45.389 45.389 44.286 1.103 19479 4199 1 11 . 1 1 43 43 GLY H H 43 7.826 7.826 7.432 0.394 19479 4200 1 11 . 1 1 44 44 HIS N N 44 112.337 112.337 114.763 -2.426 19479 4201 1 11 . 1 1 44 44 HIS HA H 44 4.979 4.979 4.975 0.004 19479 4202 1 11 . 1 1 44 44 HIS CA C 44 54.773 54.773 55.161 -0.388 19479 4203 1 11 . 1 1 44 44 HIS CB C 44 31.867 31.867 30.509 1.358 19479 4204 1 11 . 1 1 44 44 HIS H H 44 6.369 6.369 7.682 -1.313 19479 4205 1 11 . 1 1 45 45 ALA HA H 45 4.264 4.264 4.271 -0.007 19479 4206 1 11 . 1 1 45 45 ALA CA C 45 57.581 57.581 55.397 2.184 19479 4207 1 11 . 1 1 45 45 ALA CB C 45 18.718 18.718 18.366 0.353 19479 4208 1 11 . 1 1 46 46 LEU N N 46 117.791 117.791 118.243 -0.452 19479 4209 1 11 . 1 1 46 46 LEU HA H 46 4.420 4.420 4.094 0.326 19479 4210 1 11 . 1 1 46 46 LEU CA C 46 58.559 58.559 58.206 0.353 19479 4211 1 11 . 1 1 46 46 LEU CB C 46 41.652 41.652 41.581 0.071 19479 4212 1 11 . 1 1 46 46 LEU H H 46 8.807 8.807 8.395 0.412 19479 4213 1 11 . 1 1 47 47 LYS N N 47 118.822 118.822 118.058 0.764 19479 4214 1 11 . 1 1 47 47 LYS HA H 47 4.200 4.200 3.895 0.305 19479 4215 1 11 . 1 1 47 47 LYS CA C 47 58.352 58.352 58.798 -0.446 19479 4216 1 11 . 1 1 47 47 LYS CB C 47 32.994 32.994 31.533 1.461 19479 4217 1 11 . 1 1 47 47 LYS H H 47 7.589 7.589 7.206 0.383 19479 4218 1 11 . 1 1 48 48 ALA N N 48 122.769 122.769 121.770 0.999 19479 4219 1 11 . 1 1 48 48 ALA HA H 48 3.575 3.575 3.573 0.002 19479 4220 1 11 . 1 1 48 48 ALA CA C 48 55.102 55.102 54.845 0.257 19479 4221 1 11 . 1 1 48 48 ALA CB C 48 18.239 18.239 17.926 0.313 19479 4222 1 11 . 1 1 48 48 ALA H H 48 8.736 8.736 8.179 0.557 19479 4223 1 11 . 1 1 49 49 MET N N 49 116.936 116.936 117.092 -0.156 19479 4224 1 11 . 1 1 49 49 MET HA H 49 4.169 4.169 4.111 0.058 19479 4225 1 11 . 1 1 49 49 MET CA C 49 58.869 58.869 59.075 -0.206 19479 4226 1 11 . 1 1 49 49 MET CB C 49 32.511 32.511 32.742 -0.231 19479 4227 1 11 . 1 1 49 49 MET H H 49 8.000 8.000 7.703 0.297 19479 4228 1 11 . 1 1 50 50 ALA N N 50 123.686 123.686 122.618 1.068 19479 4229 1 11 . 1 1 50 50 ALA HA H 50 4.401 4.401 4.094 0.307 19479 4230 1 11 . 1 1 50 50 ALA CA C 50 55.265 55.265 55.184 0.081 19479 4231 1 11 . 1 1 50 50 ALA CB C 50 18.320 18.320 17.974 0.345 19479 4232 1 11 . 1 1 50 50 ALA H H 50 7.389 7.389 7.851 -0.462 19479 4233 1 11 . 1 1 51 51 VAL N N 51 118.885 118.885 118.935 -0.050 19479 4234 1 11 . 1 1 51 51 VAL HA H 51 3.437 3.437 3.582 -0.145 19479 4235 1 11 . 1 1 51 51 VAL CA C 51 66.975 66.975 66.511 0.464 19479 4236 1 11 . 1 1 51 51 VAL CB C 51 31.268 31.268 31.579 -0.311 19479 4237 1 11 . 1 1 51 51 VAL H H 51 7.981 7.981 8.050 -0.069 19479 4238 1 11 . 1 1 52 52 ALA N N 52 121.555 121.555 121.455 0.100 19479 4239 1 11 . 1 1 52 52 ALA HA H 52 3.990 3.990 3.954 0.036 19479 4240 1 11 . 1 1 52 52 ALA CA C 52 56.056 56.056 54.874 1.182 19479 4241 1 11 . 1 1 52 52 ALA CB C 52 18.099 18.099 18.027 0.072 19479 4242 1 11 . 1 1 52 52 ALA H H 52 8.499 8.499 7.553 0.946 19479 4243 1 11 . 1 1 53 53 ALA N N 53 121.958 121.958 121.372 0.586 19479 4244 1 11 . 1 1 53 53 ALA HA H 53 4.346 4.346 3.964 0.382 19479 4245 1 11 . 1 1 53 53 ALA CA C 53 55.454 55.454 54.934 0.520 19479 4246 1 11 . 1 1 53 53 ALA CB C 53 18.079 18.079 18.322 -0.242 19479 4247 1 11 . 1 1 53 53 ALA H H 53 8.238 8.238 7.908 0.330 19479 4248 1 11 . 1 1 54 54 GLN N N 54 118.520 118.520 118.239 0.281 19479 4249 1 11 . 1 1 54 54 GLN HA H 54 4.157 4.157 4.152 0.005 19479 4250 1 11 . 1 1 54 54 GLN CA C 54 59.303 59.303 58.517 0.786 19479 4251 1 11 . 1 1 54 54 GLN CB C 54 28.684 28.684 28.906 -0.222 19479 4252 1 11 . 1 1 54 54 GLN H H 54 7.914 7.914 7.834 0.080 19479 4253 1 11 . 1 1 55 55 VAL N N 55 121.643 121.643 121.247 0.396 19479 4254 1 11 . 1 1 55 55 VAL HA H 55 3.673 3.673 3.896 -0.223 19479 4255 1 11 . 1 1 55 55 VAL CA C 55 67.521 67.521 67.134 0.387 19479 4256 1 11 . 1 1 55 55 VAL CB C 55 31.569 31.569 31.889 -0.320 19479 4257 1 11 . 1 1 55 55 VAL H H 55 8.915 8.915 8.768 0.147 19479 4258 1 11 . 1 1 56 56 HIS N N 56 120.993 120.993 119.558 1.435 19479 4259 1 11 . 1 1 56 56 HIS HA H 56 4.314 4.314 4.744 -0.430 19479 4260 1 11 . 1 1 56 56 HIS CA C 56 60.994 60.994 59.013 1.981 19479 4261 1 11 . 1 1 56 56 HIS CB C 56 30.226 30.226 29.806 0.420 19479 4262 1 11 . 1 1 56 56 HIS H H 56 8.328 8.328 8.357 -0.029 19479 4263 1 11 . 1 1 57 57 ARG N N 57 119.241 119.241 118.846 0.395 19479 4264 1 11 . 1 1 57 57 ARG HA H 57 3.963 3.963 4.186 -0.223 19479 4265 1 11 . 1 1 57 57 ARG CA C 57 59.269 59.269 58.619 0.650 19479 4266 1 11 . 1 1 57 57 ARG CB C 57 30.220 30.220 29.881 0.339 19479 4267 1 11 . 1 1 57 57 ARG H H 57 7.849 7.849 7.702 0.147 19479 4268 1 11 . 1 1 58 58 GLU N N 58 116.079 116.079 118.942 -2.863 19479 4269 1 11 . 1 1 58 58 GLU HA H 58 3.944 3.944 4.104 -0.160 19479 4270 1 11 . 1 1 58 58 GLU CA C 58 58.351 58.351 58.508 -0.156 19479 4271 1 11 . 1 1 58 58 GLU CB C 58 30.571 30.571 30.342 0.229 19479 4272 1 11 . 1 1 58 58 GLU H H 58 7.874 7.874 8.076 -0.202 19479 4273 1 11 . 1 1 59 59 TYR N N 59 112.274 112.274 116.543 -4.269 19479 4274 1 11 . 1 1 59 59 TYR HA H 59 4.686 4.686 4.478 0.208 19479 4275 1 11 . 1 1 59 59 TYR CA C 59 58.616 58.616 59.033 -0.417 19479 4276 1 11 . 1 1 59 59 TYR CB C 59 40.589 40.589 38.435 2.154 19479 4277 1 11 . 1 1 59 59 TYR H H 59 8.303 8.303 8.204 0.099 19479 4278 1 11 . 1 1 60 60 GLN N N 60 115.629 115.629 114.667 0.962 19479 4279 1 11 . 1 1 60 60 GLN HA H 60 3.481 3.481 4.196 -0.715 19479 4280 1 11 . 1 1 60 60 GLN CA C 60 57.418 57.418 56.614 0.804 19479 4281 1 11 . 1 1 60 60 GLN CB C 60 25.628 25.628 26.605 -0.977 19479 4282 1 11 . 1 1 60 60 GLN H H 60 8.382 8.382 7.793 0.589 19479 4283 1 11 . 1 1 61 61 VAL N N 61 114.547 114.547 116.969 -2.422 19479 4284 1 11 . 1 1 61 61 VAL HA H 61 4.347 4.347 4.246 0.101 19479 4285 1 11 . 1 1 61 61 VAL CA C 61 60.118 60.118 59.930 0.188 19479 4286 1 11 . 1 1 61 61 VAL CB C 61 35.547 35.547 35.779 -0.232 19479 4287 1 11 . 1 1 61 61 VAL H H 61 6.532 6.532 7.734 -1.202 19479 4288 1 11 . 1 1 62 62 GLU N N 62 125.938 125.938 128.207 -2.269 19479 4289 1 11 . 1 1 62 62 GLU HA H 62 4.270 4.270 3.529 0.741 19479 4290 1 11 . 1 1 62 62 GLU CA C 62 55.857 55.857 56.770 -0.914 19479 4291 1 11 . 1 1 62 62 GLU CB C 62 30.334 30.334 30.267 0.067 19479 4292 1 11 . 1 1 62 62 GLU H H 62 8.741 8.741 8.257 0.484 19479 4293 1 11 . 1 1 63 63 LEU N N 63 127.837 127.837 128.386 -0.549 19479 4294 1 11 . 1 1 63 63 LEU HA H 63 4.845 4.845 4.658 0.187 19479 4295 1 11 . 1 1 63 63 LEU CA C 63 50.751 50.751 50.338 0.413 19479 4296 1 11 . 1 1 63 63 LEU CB C 63 43.313 43.313 42.096 1.217 19479 4297 1 11 . 1 1 63 63 LEU H H 63 8.939 8.939 8.346 0.593 19479 4298 1 11 . 1 1 64 64 PRO HA H 64 4.446 4.446 4.593 -0.147 19479 4299 1 11 . 1 1 64 64 PRO CA C 64 62.060 62.060 62.033 0.027 19479 4300 1 11 . 1 1 64 64 PRO CB C 64 32.346 32.346 33.093 -0.747 19479 4301 1 11 . 1 1 65 65 LEU N N 65 126.325 126.325 124.761 1.564 19479 4302 1 11 . 1 1 65 65 LEU HA H 65 3.772 3.772 3.891 -0.119 19479 4303 1 11 . 1 1 65 65 LEU CA C 65 58.426 58.426 58.072 0.354 19479 4304 1 11 . 1 1 65 65 LEU CB C 65 40.688 40.688 42.221 -1.532 19479 4305 1 11 . 1 1 65 65 LEU H H 65 8.746 8.746 8.759 -0.013 19479 4306 1 11 . 1 1 66 66 LYS N N 66 114.157 114.157 118.327 -4.170 19479 4307 1 11 . 1 1 66 66 LYS HA H 66 3.999 3.999 4.170 -0.171 19479 4308 1 11 . 1 1 66 66 LYS CA C 66 59.383 59.383 58.954 0.429 19479 4309 1 11 . 1 1 66 66 LYS CB C 66 32.166 32.166 31.748 0.418 19479 4310 1 11 . 1 1 66 66 LYS H H 66 8.551 8.551 8.437 0.114 19479 4311 1 11 . 1 1 67 67 VAL N N 67 119.827 119.827 120.277 -0.450 19479 4312 1 11 . 1 1 67 67 VAL HA H 67 3.611 3.611 3.579 0.032 19479 4313 1 11 . 1 1 67 67 VAL CA C 67 65.655 65.655 65.579 0.076 19479 4314 1 11 . 1 1 67 67 VAL CB C 67 31.425 31.425 31.531 -0.106 19479 4315 1 11 . 1 1 67 67 VAL H H 67 7.190 7.190 7.752 -0.562 19479 4316 1 11 . 1 1 68 68 LEU N N 68 120.867 120.867 122.027 -1.160 19479 4317 1 11 . 1 1 68 68 LEU HA H 68 3.922 3.922 3.849 0.073 19479 4318 1 11 . 1 1 68 68 LEU CA C 68 58.322 58.322 57.880 0.442 19479 4319 1 11 . 1 1 68 68 LEU CB C 68 41.911 41.911 41.190 0.721 19479 4320 1 11 . 1 1 68 68 LEU H H 68 6.936 6.936 7.233 -0.297 19479 4321 1 11 . 1 1 69 69 PHE N N 69 112.682 112.682 116.884 -4.202 19479 4322 1 11 . 1 1 69 69 PHE HA H 69 4.265 4.265 4.740 -0.475 19479 4323 1 11 . 1 1 69 69 PHE CA C 69 60.265 60.265 59.730 0.535 19479 4324 1 11 . 1 1 69 69 PHE CB C 69 38.725 38.725 38.230 0.495 19479 4325 1 11 . 1 1 69 69 PHE H H 69 8.201 8.201 8.465 -0.264 19479 4326 1 11 . 1 1 70 70 ALA N N 70 118.803 118.803 121.736 -2.933 19479 4327 1 11 . 1 1 70 70 ALA HA H 70 4.302 4.302 3.942 0.360 19479 4328 1 11 . 1 1 70 70 ALA CA C 70 54.025 54.025 53.389 0.636 19479 4329 1 11 . 1 1 70 70 ALA CB C 70 19.656 19.656 19.213 0.443 19479 4330 1 11 . 1 1 70 70 ALA H H 70 7.448 7.448 6.929 0.519 19479 4331 1 11 . 1 1 71 71 GLN N N 71 116.280 116.280 115.408 0.872 19479 4332 1 11 . 1 1 71 71 GLN HA H 71 4.848 4.848 4.769 0.079 19479 4333 1 11 . 1 1 71 71 GLN CA C 71 53.120 53.120 52.495 0.625 19479 4334 1 11 . 1 1 71 71 GLN CB C 71 29.026 29.026 29.858 -0.832 19479 4335 1 11 . 1 1 71 71 GLN H H 71 7.561 7.561 7.978 -0.417 19479 4336 1 11 . 1 1 72 72 PRO HA H 72 4.989 4.989 4.690 0.299 19479 4337 1 11 . 1 1 72 72 PRO CA C 72 64.307 64.307 63.026 1.281 19479 4338 1 11 . 1 1 72 72 PRO CB C 72 30.240 30.240 30.180 0.060 19479 4339 1 11 . 1 1 73 73 THR N N 73 109.972 109.972 111.552 -1.580 19479 4340 1 11 . 1 1 73 73 THR HA H 73 5.198 5.198 5.266 -0.069 19479 4341 1 11 . 1 1 73 73 THR CA C 73 59.292 59.292 59.635 -0.343 19479 4342 1 11 . 1 1 73 73 THR CB C 73 72.314 72.314 72.987 -0.673 19479 4343 1 11 . 1 1 73 73 THR H H 73 8.303 8.303 8.103 0.200 19479 4344 1 11 . 1 1 74 74 ILE N N 74 125.105 125.105 123.264 1.841 19479 4345 1 11 . 1 1 74 74 ILE HA H 74 3.061 3.061 3.358 -0.297 19479 4346 1 11 . 1 1 74 74 ILE CA C 74 66.019 66.019 64.032 1.987 19479 4347 1 11 . 1 1 74 74 ILE CB C 74 37.443 37.443 36.781 0.662 19479 4348 1 11 . 1 1 74 74 ILE H H 74 9.908 9.908 9.006 0.902 19479 4349 1 11 . 1 1 75 75 LYS N N 75 119.445 119.445 121.266 -1.821 19479 4350 1 11 . 1 1 75 75 LYS HA H 75 3.797 3.797 3.860 -0.063 19479 4351 1 11 . 1 1 75 75 LYS CA C 75 60.205 60.205 60.221 -0.016 19479 4352 1 11 . 1 1 75 75 LYS CB C 75 33.098 33.098 32.137 0.961 19479 4353 1 11 . 1 1 75 75 LYS H H 75 9.024 9.024 8.159 0.865 19479 4354 1 11 . 1 1 76 76 ALA N N 76 119.581 119.581 121.367 -1.786 19479 4355 1 11 . 1 1 76 76 ALA HA H 76 4.216 4.216 4.105 0.111 19479 4356 1 11 . 1 1 76 76 ALA CA C 76 54.809 54.809 54.850 -0.042 19479 4357 1 11 . 1 1 76 76 ALA CB C 76 19.422 19.422 18.164 1.258 19479 4358 1 11 . 1 1 76 76 ALA H H 76 7.621 7.621 8.269 -0.648 19479 4359 1 11 . 1 1 77 77 LEU N N 77 121.833 121.833 118.913 2.920 19479 4360 1 11 . 1 1 77 77 LEU HA H 77 4.097 4.097 3.966 0.131 19479 4361 1 11 . 1 1 77 77 LEU CA C 77 57.612 57.612 57.487 0.125 19479 4362 1 11 . 1 1 77 77 LEU CB C 77 42.192 42.192 41.367 0.825 19479 4363 1 11 . 1 1 77 77 LEU H H 77 8.915 8.915 8.040 0.875 19479 4364 1 11 . 1 1 78 78 ALA N N 78 120.481 120.481 122.447 -1.966 19479 4365 1 11 . 1 1 78 78 ALA HA H 78 3.751 3.751 3.813 -0.062 19479 4366 1 11 . 1 1 78 78 ALA CA C 78 55.117 55.117 55.347 -0.230 19479 4367 1 11 . 1 1 78 78 ALA CB C 78 19.603 19.603 18.092 1.511 19479 4368 1 11 . 1 1 78 78 ALA H H 78 9.393 9.393 8.618 0.775 19479 4369 1 11 . 1 1 79 79 GLN N N 79 117.799 117.799 117.832 -0.033 19479 4370 1 11 . 1 1 79 79 GLN HA H 79 4.069 4.069 4.022 0.047 19479 4371 1 11 . 1 1 79 79 GLN CA C 79 58.790 58.790 58.662 0.128 19479 4372 1 11 . 1 1 79 79 GLN CB C 79 28.256 28.256 28.955 -0.699 19479 4373 1 11 . 1 1 79 79 GLN H H 79 7.179 7.179 7.940 -0.761 19479 4374 1 11 . 1 1 80 80 TYR N N 80 121.754 121.754 121.497 0.257 19479 4375 1 11 . 1 1 80 80 TYR HA H 80 3.982 3.982 4.112 -0.130 19479 4376 1 11 . 1 1 80 80 TYR CA C 80 61.965 61.965 61.465 0.500 19479 4377 1 11 . 1 1 80 80 TYR CB C 80 38.227 38.227 38.648 -0.421 19479 4378 1 11 . 1 1 80 80 TYR H H 80 7.716 7.716 8.125 -0.409 19479 4379 1 11 . 1 1 81 81 VAL N N 81 117.864 117.864 118.650 -0.786 19479 4380 1 11 . 1 1 81 81 VAL HA H 81 3.264 3.264 3.453 -0.189 19479 4381 1 11 . 1 1 81 81 VAL CA C 81 66.719 66.719 65.774 0.945 19479 4382 1 11 . 1 1 81 81 VAL CB C 81 32.032 32.032 31.652 0.380 19479 4383 1 11 . 1 1 81 81 VAL H H 81 8.536 8.536 8.663 -0.127 19479 4384 1 11 . 1 1 82 82 ALA N N 82 121.044 121.044 122.226 -1.182 19479 4385 1 11 . 1 1 82 82 ALA HA H 82 3.931 3.931 4.004 -0.073 19479 4386 1 11 . 1 1 82 82 ALA CA C 82 55.130 55.130 55.268 -0.138 19479 4387 1 11 . 1 1 82 82 ALA CB C 82 18.588 18.588 18.213 0.375 19479 4388 1 11 . 1 1 82 82 ALA H H 82 8.420 8.420 8.257 0.163 19479 4389 1 11 . 1 1 83 83 THR N N 83 109.020 109.020 111.429 -2.409 19479 4390 1 11 . 1 1 83 83 THR HA H 83 4.081 4.081 4.236 -0.155 19479 4391 1 11 . 1 1 83 83 THR CA C 83 64.388 64.388 64.446 -0.058 19479 4392 1 11 . 1 1 83 83 THR CB C 83 69.529 69.529 68.725 0.804 19479 4393 1 11 . 1 1 83 83 THR H H 83 7.558 7.558 7.681 -0.123 19479 4394 1 11 . 1 1 84 84 ARG N N 84 119.856 119.856 121.036 -1.180 19479 4395 1 11 . 1 1 84 84 ARG HA H 84 4.199 4.199 4.372 -0.173 19479 4396 1 11 . 1 1 84 84 ARG CA C 84 56.279 56.279 58.637 -2.358 19479 4397 1 11 . 1 1 84 84 ARG CB C 84 30.866 30.866 30.501 0.365 19479 4398 1 11 . 1 1 84 84 ARG H H 84 7.368 7.368 7.531 -0.163 19479 4399 1 11 . 1 1 85 85 SER N N 85 114.607 114.607 114.987 -0.380 19479 4400 1 11 . 1 1 85 85 SER HA H 85 4.301 4.301 4.330 -0.029 19479 4401 1 11 . 1 1 85 85 SER CA C 85 58.927 58.927 56.942 1.985 19479 4402 1 11 . 1 1 85 85 SER CB C 85 63.778 63.778 61.971 1.807 19479 4403 1 11 . 1 1 85 85 SER H H 85 7.783 7.783 8.065 -0.282 19479 4404 1 11 . 1 1 86 86 HIS HA H 86 4.608 4.608 4.741 -0.133 19479 4405 1 11 . 1 1 86 86 HIS CA C 86 56.102 56.102 56.408 -0.306 19479 4406 1 11 . 1 1 86 86 HIS CB C 86 30.233 30.233 30.318 -0.085 19479 4407 1 11 . 1 1 87 87 HIS N N 87 125.453 125.453 119.958 5.495 19479 4408 1 11 . 1 1 87 87 HIS HA H 87 4.421 4.421 4.704 -0.283 19479 4409 1 11 . 1 1 87 87 HIS CA C 87 57.381 57.381 57.070 0.311 19479 4410 1 11 . 1 1 87 87 HIS CB C 87 30.430 30.430 30.601 -0.171 19479 4411 1 11 . 1 1 87 87 HIS H H 87 8.102 8.102 8.623 -0.521 19479 4412 1 12 . 1 1 3 3 VAL HA H 3 4.160 4.160 4.077 0.083 19479 4413 1 12 . 1 1 3 3 VAL CA C 3 63.130 63.130 63.221 -0.091 19479 4414 1 12 . 1 1 3 3 VAL CB C 3 32.605 32.605 32.019 0.586 19479 4415 1 12 . 1 1 4 4 THR N N 4 117.074 117.074 117.793 -0.719 19479 4416 1 12 . 1 1 4 4 THR HA H 4 4.454 4.454 4.507 -0.053 19479 4417 1 12 . 1 1 4 4 THR CA C 4 61.454 61.454 61.807 -0.353 19479 4418 1 12 . 1 1 4 4 THR CB C 4 70.203 70.203 68.888 1.316 19479 4419 1 12 . 1 1 4 4 THR H H 4 8.269 8.269 8.388 -0.119 19479 4420 1 12 . 1 1 5 5 GLU N N 5 122.628 122.628 121.685 0.943 19479 4421 1 12 . 1 1 5 5 GLU HA H 5 4.305 4.305 4.201 0.104 19479 4422 1 12 . 1 1 5 5 GLU CA C 5 56.689 56.689 57.039 -0.350 19479 4423 1 12 . 1 1 5 5 GLU CB C 5 30.297 30.297 29.696 0.601 19479 4424 1 12 . 1 1 5 5 GLU H H 5 8.465 8.465 8.114 0.351 19479 4425 1 12 . 1 1 6 6 ALA N N 6 124.915 124.915 120.751 4.164 19479 4426 1 12 . 1 1 6 6 ALA HA H 6 4.301 4.301 4.586 -0.285 19479 4427 1 12 . 1 1 6 6 ALA CA C 6 52.392 52.392 51.001 1.391 19479 4428 1 12 . 1 1 6 6 ALA CB C 6 19.520 19.520 19.717 -0.197 19479 4429 1 12 . 1 1 6 6 ALA H H 6 8.333 8.333 7.551 0.782 19479 4430 1 12 . 1 1 7 7 GLN N N 7 120.476 120.476 125.407 -4.931 19479 4431 1 12 . 1 1 7 7 GLN HA H 7 4.275 4.275 4.225 0.050 19479 4432 1 12 . 1 1 7 7 GLN CA C 7 55.512 55.512 55.322 0.190 19479 4433 1 12 . 1 1 7 7 GLN CB C 7 29.495 29.495 29.229 0.266 19479 4434 1 12 . 1 1 7 7 GLN H H 7 8.340 8.340 8.360 -0.020 19479 4435 1 12 . 1 1 8 8 TYR N N 8 124.499 124.499 122.373 2.126 19479 4436 1 12 . 1 1 8 8 TYR HA H 8 4.386 4.386 4.355 0.031 19479 4437 1 12 . 1 1 8 8 TYR CA C 8 60.233 60.233 58.838 1.395 19479 4438 1 12 . 1 1 8 8 TYR CB C 8 38.173 38.173 38.666 -0.493 19479 4439 1 12 . 1 1 8 8 TYR H H 8 8.506 8.506 8.538 -0.032 19479 4440 1 12 . 1 1 9 9 VAL N N 9 130.011 130.011 129.142 0.869 19479 4441 1 12 . 1 1 9 9 VAL HA H 9 3.748 3.748 3.750 -0.002 19479 4442 1 12 . 1 1 9 9 VAL CA C 9 61.317 61.317 60.958 0.359 19479 4443 1 12 . 1 1 9 9 VAL CB C 9 34.738 34.738 34.566 0.172 19479 4444 1 12 . 1 1 9 9 VAL H H 9 6.756 6.756 8.098 -1.342 19479 4445 1 12 . 1 1 10 10 ALA N N 10 130.264 130.264 128.133 2.131 19479 4446 1 12 . 1 1 10 10 ALA HA H 10 4.172 4.172 4.592 -0.420 19479 4447 1 12 . 1 1 10 10 ALA CA C 10 50.602 50.602 50.926 -0.324 19479 4448 1 12 . 1 1 10 10 ALA CB C 10 17.676 17.676 18.462 -0.786 19479 4449 1 12 . 1 1 10 10 ALA H H 10 8.125 8.125 7.923 0.202 19479 4450 1 12 . 1 1 11 11 PRO HA H 11 4.186 4.186 4.455 -0.269 19479 4451 1 12 . 1 1 11 11 PRO CA C 11 63.808 63.808 62.809 0.999 19479 4452 1 12 . 1 1 11 11 PRO CB C 11 32.674 32.674 32.350 0.324 19479 4453 1 12 . 1 1 12 12 THR N N 12 113.591 113.591 111.740 1.851 19479 4454 1 12 . 1 1 12 12 THR HA H 12 4.469 4.469 4.386 0.083 19479 4455 1 12 . 1 1 12 12 THR CA C 12 61.950 61.950 62.083 -0.133 19479 4456 1 12 . 1 1 12 12 THR CB C 12 71.622 71.622 68.816 2.806 19479 4457 1 12 . 1 1 12 12 THR H H 12 9.701 9.701 8.065 1.636 19479 4458 1 12 . 1 1 13 13 ASN N N 13 116.088 116.088 119.667 -3.579 19479 4459 1 12 . 1 1 13 13 ASN HA H 13 4.771 4.771 4.837 -0.066 19479 4460 1 12 . 1 1 13 13 ASN CA C 13 51.947 51.947 52.120 -0.173 19479 4461 1 12 . 1 1 13 13 ASN CB C 13 39.736 39.736 40.358 -0.622 19479 4462 1 12 . 1 1 13 13 ASN H H 13 7.423 7.423 7.832 -0.409 19479 4463 1 12 . 1 1 14 14 ALA HA H 14 4.136 4.136 4.089 0.047 19479 4464 1 12 . 1 1 14 14 ALA CA C 14 55.484 55.484 54.739 0.745 19479 4465 1 12 . 1 1 14 14 ALA CB C 14 19.020 19.020 18.667 0.353 19479 4466 1 12 . 1 1 15 15 VAL N N 15 120.332 120.332 117.636 2.696 19479 4467 1 12 . 1 1 15 15 VAL HA H 15 4.191 4.191 3.739 0.452 19479 4468 1 12 . 1 1 15 15 VAL CA C 15 65.158 65.158 66.428 -1.270 19479 4469 1 12 . 1 1 15 15 VAL CB C 15 31.513 31.513 31.675 -0.162 19479 4470 1 12 . 1 1 15 15 VAL H H 15 7.938 7.938 8.159 -0.221 19479 4471 1 12 . 1 1 16 16 GLU N N 16 118.751 118.751 119.961 -1.210 19479 4472 1 12 . 1 1 16 16 GLU HA H 16 3.550 3.550 3.848 -0.298 19479 4473 1 12 . 1 1 16 16 GLU CA C 16 59.495 59.495 59.399 0.096 19479 4474 1 12 . 1 1 16 16 GLU CB C 16 30.851 30.851 28.942 1.909 19479 4475 1 12 . 1 1 16 16 GLU H H 16 8.470 8.470 7.973 0.497 19479 4476 1 12 . 1 1 17 17 SER N N 17 112.637 112.637 114.821 -2.184 19479 4477 1 12 . 1 1 17 17 SER HA H 17 3.968 3.968 4.013 -0.045 19479 4478 1 12 . 1 1 17 17 SER CA C 17 62.523 62.523 61.994 0.529 19479 4479 1 12 . 1 1 17 17 SER CB C 17 62.669 62.669 62.902 -0.233 19479 4480 1 12 . 1 1 17 17 SER H H 17 8.386 8.386 7.953 0.433 19479 4481 1 12 . 1 1 18 18 LYS N N 18 124.394 124.394 121.404 2.990 19479 4482 1 12 . 1 1 18 18 LYS HA H 18 4.287 4.287 4.278 0.009 19479 4483 1 12 . 1 1 18 18 LYS CA C 18 57.421 57.421 59.408 -1.987 19479 4484 1 12 . 1 1 18 18 LYS CB C 18 30.018 30.018 32.497 -2.479 19479 4485 1 12 . 1 1 18 18 LYS H H 18 8.104 8.104 7.627 0.477 19479 4486 1 12 . 1 1 19 19 LEU N N 19 118.589 118.589 119.494 -0.905 19479 4487 1 12 . 1 1 19 19 LEU HA H 19 4.027 4.027 4.093 -0.066 19479 4488 1 12 . 1 1 19 19 LEU CA C 19 58.178 58.178 58.400 -0.222 19479 4489 1 12 . 1 1 19 19 LEU CB C 19 42.135 42.135 41.392 0.743 19479 4490 1 12 . 1 1 19 19 LEU H H 19 8.742 8.742 7.661 1.081 19479 4491 1 12 . 1 1 20 20 ALA N N 20 121.037 121.037 121.157 -0.120 19479 4492 1 12 . 1 1 20 20 ALA HA H 20 3.775 3.775 3.701 0.074 19479 4493 1 12 . 1 1 20 20 ALA CA C 20 56.194 56.194 55.076 1.118 19479 4494 1 12 . 1 1 20 20 ALA CB C 20 16.862 16.862 17.956 -1.094 19479 4495 1 12 . 1 1 20 20 ALA H H 20 8.199 8.199 7.806 0.393 19479 4496 1 12 . 1 1 21 21 GLU N N 21 118.948 118.948 119.526 -0.578 19479 4497 1 12 . 1 1 21 21 GLU HA H 21 4.129 4.129 4.067 0.062 19479 4498 1 12 . 1 1 21 21 GLU CA C 21 59.788 59.788 59.373 0.415 19479 4499 1 12 . 1 1 21 21 GLU CB C 21 29.887 29.887 29.771 0.116 19479 4500 1 12 . 1 1 21 21 GLU H H 21 7.716 7.716 7.634 0.082 19479 4501 1 12 . 1 1 22 22 ILE N N 22 120.355 120.355 120.161 0.194 19479 4502 1 12 . 1 1 22 22 ILE HA H 22 3.780 3.780 3.828 -0.048 19479 4503 1 12 . 1 1 22 22 ILE CA C 22 65.850 65.850 65.305 0.545 19479 4504 1 12 . 1 1 22 22 ILE CB C 22 38.677 38.677 38.029 0.648 19479 4505 1 12 . 1 1 22 22 ILE H H 22 8.409 8.409 7.785 0.624 19479 4506 1 12 . 1 1 23 23 TRP N N 23 120.272 120.272 120.019 0.253 19479 4507 1 12 . 1 1 23 23 TRP HA H 23 4.191 4.191 4.325 -0.134 19479 4508 1 12 . 1 1 23 23 TRP CA C 23 61.819 61.819 60.996 0.823 19479 4509 1 12 . 1 1 23 23 TRP CB C 23 29.177 29.177 28.711 0.466 19479 4510 1 12 . 1 1 23 23 TRP H H 23 9.551 9.551 8.524 1.027 19479 4511 1 12 . 1 1 24 24 GLU N N 24 119.281 119.281 118.419 0.862 19479 4512 1 12 . 1 1 24 24 GLU HA H 24 4.210 4.210 3.973 0.237 19479 4513 1 12 . 1 1 24 24 GLU CA C 24 60.695 60.695 59.720 0.975 19479 4514 1 12 . 1 1 24 24 GLU CB C 24 29.397 29.397 29.230 0.168 19479 4515 1 12 . 1 1 24 24 GLU H H 24 9.039 9.039 7.999 1.040 19479 4516 1 12 . 1 1 25 25 ARG N N 25 119.408 119.408 118.492 0.916 19479 4517 1 12 . 1 1 25 25 ARG HA H 25 4.205 4.205 4.155 0.050 19479 4518 1 12 . 1 1 25 25 ARG CA C 25 59.015 59.015 58.356 0.659 19479 4519 1 12 . 1 1 25 25 ARG CB C 25 30.246 30.246 29.898 0.349 19479 4520 1 12 . 1 1 25 25 ARG H H 25 8.060 8.060 7.546 0.514 19479 4521 1 12 . 1 1 26 26 VAL N N 26 119.220 119.220 118.390 0.830 19479 4522 1 12 . 1 1 26 26 VAL HA H 26 3.782 3.782 3.912 -0.130 19479 4523 1 12 . 1 1 26 26 VAL CA C 26 65.845 65.845 64.961 0.884 19479 4524 1 12 . 1 1 26 26 VAL CB C 26 32.717 32.717 31.788 0.929 19479 4525 1 12 . 1 1 26 26 VAL H H 26 8.475 8.475 7.453 1.022 19479 4526 1 12 . 1 1 27 27 LEU N N 27 116.095 116.095 115.748 0.347 19479 4527 1 12 . 1 1 27 27 LEU HA H 27 4.018 4.018 3.974 0.044 19479 4528 1 12 . 1 1 27 27 LEU CA C 27 55.757 55.757 55.949 -0.192 19479 4529 1 12 . 1 1 27 27 LEU CB C 27 42.504 42.504 42.032 0.472 19479 4530 1 12 . 1 1 27 27 LEU H H 27 9.005 9.005 8.266 0.739 19479 4531 1 12 . 1 1 28 28 GLY N N 28 108.722 108.722 107.723 0.999 19479 4532 1 12 . 1 1 28 28 GLY CA C 28 46.721 46.721 45.569 1.151 19479 4533 1 12 . 1 1 28 28 GLY H H 28 8.056 8.056 7.822 0.234 19479 4534 1 12 . 1 1 29 29 VAL N N 29 115.103 115.103 115.778 -0.675 19479 4535 1 12 . 1 1 29 29 VAL HA H 29 4.457 4.457 4.693 -0.236 19479 4536 1 12 . 1 1 29 29 VAL CA C 29 59.845 59.845 59.505 0.340 19479 4537 1 12 . 1 1 29 29 VAL CB C 29 35.477 35.477 34.318 1.159 19479 4538 1 12 . 1 1 29 29 VAL H H 29 7.044 7.044 7.537 -0.493 19479 4539 1 12 . 1 1 30 30 SER N N 30 115.417 115.417 115.788 -0.371 19479 4540 1 12 . 1 1 30 30 SER HA H 30 4.683 4.683 4.802 -0.119 19479 4541 1 12 . 1 1 30 30 SER CA C 30 56.970 56.970 58.295 -1.325 19479 4542 1 12 . 1 1 30 30 SER CB C 30 65.294 65.294 63.644 1.650 19479 4543 1 12 . 1 1 30 30 SER H H 30 8.151 8.151 8.207 -0.056 19479 4544 1 12 . 1 1 31 31 GLY N N 31 112.008 112.008 115.287 -3.279 19479 4545 1 12 . 1 1 31 31 GLY CA C 31 46.545 46.545 45.089 1.456 19479 4546 1 12 . 1 1 31 31 GLY H H 31 8.573 8.573 9.327 -0.754 19479 4547 1 12 . 1 1 32 32 ILE N N 32 121.204 121.204 123.305 -2.101 19479 4548 1 12 . 1 1 32 32 ILE HA H 32 3.898 3.898 4.077 -0.179 19479 4549 1 12 . 1 1 32 32 ILE CA C 32 63.126 63.126 61.317 1.809 19479 4550 1 12 . 1 1 32 32 ILE CB C 32 38.993 38.993 37.277 1.716 19479 4551 1 12 . 1 1 32 32 ILE H H 32 8.241 8.241 7.685 0.556 19479 4552 1 12 . 1 1 33 33 GLY N N 33 115.038 115.038 114.561 0.477 19479 4553 1 12 . 1 1 33 33 GLY CA C 33 44.330 44.330 43.646 0.684 19479 4554 1 12 . 1 1 33 33 GLY H H 33 8.760 8.760 8.259 0.501 19479 4555 1 12 . 1 1 34 34 ILE N N 34 110.067 110.067 118.429 -8.362 19479 4556 1 12 . 1 1 34 34 ILE HA H 34 4.017 4.017 3.910 0.107 19479 4557 1 12 . 1 1 34 34 ILE CA C 34 64.500 64.500 64.609 -0.109 19479 4558 1 12 . 1 1 34 34 ILE CB C 34 37.731 37.731 38.061 -0.330 19479 4559 1 12 . 1 1 34 34 ILE H H 34 8.566 8.566 8.857 -0.291 19479 4560 1 12 . 1 1 35 35 LEU N N 35 117.052 117.052 113.654 3.398 19479 4561 1 12 . 1 1 35 35 LEU HA H 35 4.692 4.692 4.617 0.075 19479 4562 1 12 . 1 1 35 35 LEU CA C 35 53.247 53.247 53.533 -0.286 19479 4563 1 12 . 1 1 35 35 LEU CB C 35 42.094 42.094 41.131 0.963 19479 4564 1 12 . 1 1 35 35 LEU H H 35 8.191 8.191 7.810 0.381 19479 4565 1 12 . 1 1 36 36 ASP N N 36 121.535 121.535 123.037 -1.502 19479 4566 1 12 . 1 1 36 36 ASP HA H 36 4.387 4.387 4.542 -0.155 19479 4567 1 12 . 1 1 36 36 ASP CA C 36 55.244 55.244 55.859 -0.615 19479 4568 1 12 . 1 1 36 36 ASP CB C 36 41.170 41.170 42.043 -0.873 19479 4569 1 12 . 1 1 36 36 ASP H H 36 7.098 7.098 7.351 -0.253 19479 4570 1 12 . 1 1 37 37 ASN N N 37 123.266 123.266 124.088 -0.822 19479 4571 1 12 . 1 1 37 37 ASN HA H 37 4.954 4.954 5.332 -0.378 19479 4572 1 12 . 1 1 37 37 ASN CA C 37 53.319 53.319 52.749 0.570 19479 4573 1 12 . 1 1 37 37 ASN CB C 37 39.610 39.610 39.570 0.040 19479 4574 1 12 . 1 1 37 37 ASN H H 37 9.116 9.116 8.491 0.625 19479 4575 1 12 . 1 1 38 38 PHE N N 38 126.469 126.469 128.259 -1.790 19479 4576 1 12 . 1 1 38 38 PHE HA H 38 3.393 3.393 3.753 -0.360 19479 4577 1 12 . 1 1 38 38 PHE CA C 38 61.965 61.965 62.129 -0.164 19479 4578 1 12 . 1 1 38 38 PHE CB C 38 40.851 40.851 38.820 2.031 19479 4579 1 12 . 1 1 38 38 PHE H H 38 9.344 9.344 8.538 0.806 19479 4580 1 12 . 1 1 39 39 PHE N N 39 112.189 112.189 115.292 -3.103 19479 4581 1 12 . 1 1 39 39 PHE HA H 39 3.933 3.933 4.562 -0.629 19479 4582 1 12 . 1 1 39 39 PHE CA C 39 59.682 59.682 60.694 -1.012 19479 4583 1 12 . 1 1 39 39 PHE CB C 39 38.040 38.040 38.647 -0.607 19479 4584 1 12 . 1 1 39 39 PHE H H 39 8.052 8.052 8.714 -0.662 19479 4585 1 12 . 1 1 40 40 GLN N N 40 119.928 119.928 120.955 -1.027 19479 4586 1 12 . 1 1 40 40 GLN HA H 40 4.392 4.392 4.151 0.241 19479 4587 1 12 . 1 1 40 40 GLN CA C 40 57.191 57.191 58.468 -1.278 19479 4588 1 12 . 1 1 40 40 GLN CB C 40 29.466 29.466 28.557 0.909 19479 4589 1 12 . 1 1 40 40 GLN H H 40 8.297 8.297 7.873 0.424 19479 4590 1 12 . 1 1 41 41 ILE N N 41 110.997 110.997 117.182 -6.185 19479 4591 1 12 . 1 1 41 41 ILE HA H 41 4.493 4.493 3.946 0.547 19479 4592 1 12 . 1 1 41 41 ILE CA C 41 61.348 61.348 61.858 -0.509 19479 4593 1 12 . 1 1 41 41 ILE CB C 41 37.882 37.882 37.752 0.130 19479 4594 1 12 . 1 1 41 41 ILE H H 41 7.133 7.133 7.674 -0.541 19479 4595 1 12 . 1 1 42 42 GLY N N 42 106.355 106.355 107.274 -0.919 19479 4596 1 12 . 1 1 42 42 GLY CA C 42 44.679 44.679 44.972 -0.293 19479 4597 1 12 . 1 1 42 42 GLY H H 42 7.433 7.433 7.721 -0.288 19479 4598 1 12 . 1 1 43 43 GLY N N 43 107.808 107.808 108.073 -0.265 19479 4599 1 12 . 1 1 43 43 GLY CA C 43 45.389 45.389 44.228 1.161 19479 4600 1 12 . 1 1 43 43 GLY H H 43 7.826 7.826 7.523 0.303 19479 4601 1 12 . 1 1 44 44 HIS N N 44 112.337 112.337 118.850 -6.513 19479 4602 1 12 . 1 1 44 44 HIS HA H 44 4.979 4.979 4.976 0.003 19479 4603 1 12 . 1 1 44 44 HIS CA C 44 54.773 54.773 54.561 0.212 19479 4604 1 12 . 1 1 44 44 HIS CB C 44 31.867 31.867 31.013 0.854 19479 4605 1 12 . 1 1 44 44 HIS H H 44 6.369 6.369 7.691 -1.322 19479 4606 1 12 . 1 1 45 45 ALA HA H 45 4.264 4.264 4.136 0.129 19479 4607 1 12 . 1 1 45 45 ALA CA C 45 57.581 57.581 55.587 1.994 19479 4608 1 12 . 1 1 45 45 ALA CB C 45 18.718 18.718 18.259 0.459 19479 4609 1 12 . 1 1 46 46 LEU N N 46 117.791 117.791 118.435 -0.644 19479 4610 1 12 . 1 1 46 46 LEU HA H 46 4.420 4.420 3.997 0.423 19479 4611 1 12 . 1 1 46 46 LEU CA C 46 58.559 58.559 57.952 0.607 19479 4612 1 12 . 1 1 46 46 LEU CB C 46 41.652 41.652 42.059 -0.407 19479 4613 1 12 . 1 1 46 46 LEU H H 46 8.807 8.807 8.448 0.359 19479 4614 1 12 . 1 1 47 47 LYS N N 47 118.822 118.822 118.039 0.783 19479 4615 1 12 . 1 1 47 47 LYS HA H 47 4.200 4.200 3.856 0.344 19479 4616 1 12 . 1 1 47 47 LYS CA C 47 58.352 58.352 58.521 -0.169 19479 4617 1 12 . 1 1 47 47 LYS CB C 47 32.994 32.994 31.429 1.565 19479 4618 1 12 . 1 1 47 47 LYS H H 47 7.589 7.589 7.154 0.435 19479 4619 1 12 . 1 1 48 48 ALA N N 48 122.769 122.769 122.807 -0.038 19479 4620 1 12 . 1 1 48 48 ALA HA H 48 3.575 3.575 3.631 -0.056 19479 4621 1 12 . 1 1 48 48 ALA CA C 48 55.102 55.102 54.994 0.108 19479 4622 1 12 . 1 1 48 48 ALA CB C 48 18.239 18.239 17.938 0.301 19479 4623 1 12 . 1 1 48 48 ALA H H 48 8.736 8.736 8.378 0.358 19479 4624 1 12 . 1 1 49 49 MET N N 49 116.936 116.936 117.266 -0.330 19479 4625 1 12 . 1 1 49 49 MET HA H 49 4.169 4.169 4.022 0.147 19479 4626 1 12 . 1 1 49 49 MET CA C 49 58.869 58.869 58.452 0.417 19479 4627 1 12 . 1 1 49 49 MET CB C 49 32.511 32.511 31.874 0.637 19479 4628 1 12 . 1 1 49 49 MET H H 49 8.000 8.000 8.399 -0.399 19479 4629 1 12 . 1 1 50 50 ALA N N 50 123.686 123.686 121.455 2.231 19479 4630 1 12 . 1 1 50 50 ALA HA H 50 4.401 4.401 4.107 0.294 19479 4631 1 12 . 1 1 50 50 ALA CA C 50 55.265 55.265 55.077 0.188 19479 4632 1 12 . 1 1 50 50 ALA CB C 50 18.320 18.320 18.113 0.207 19479 4633 1 12 . 1 1 50 50 ALA H H 50 7.389 7.389 7.803 -0.414 19479 4634 1 12 . 1 1 51 51 VAL N N 51 118.885 118.885 119.891 -1.006 19479 4635 1 12 . 1 1 51 51 VAL HA H 51 3.437 3.437 3.586 -0.149 19479 4636 1 12 . 1 1 51 51 VAL CA C 51 66.975 66.975 66.601 0.374 19479 4637 1 12 . 1 1 51 51 VAL CB C 51 31.268 31.268 31.300 -0.032 19479 4638 1 12 . 1 1 51 51 VAL H H 51 7.981 7.981 7.569 0.412 19479 4639 1 12 . 1 1 52 52 ALA N N 52 121.555 121.555 121.962 -0.407 19479 4640 1 12 . 1 1 52 52 ALA HA H 52 3.990 3.990 3.882 0.108 19479 4641 1 12 . 1 1 52 52 ALA CA C 52 56.056 56.056 55.132 0.924 19479 4642 1 12 . 1 1 52 52 ALA CB C 52 18.099 18.099 17.994 0.105 19479 4643 1 12 . 1 1 52 52 ALA H H 52 8.499 8.499 8.048 0.451 19479 4644 1 12 . 1 1 53 53 ALA N N 53 121.958 121.958 120.731 1.227 19479 4645 1 12 . 1 1 53 53 ALA HA H 53 4.346 4.346 3.944 0.402 19479 4646 1 12 . 1 1 53 53 ALA CA C 53 55.454 55.454 55.031 0.423 19479 4647 1 12 . 1 1 53 53 ALA CB C 53 18.079 18.079 18.315 -0.236 19479 4648 1 12 . 1 1 53 53 ALA H H 53 8.238 8.238 7.821 0.417 19479 4649 1 12 . 1 1 54 54 GLN N N 54 118.520 118.520 117.924 0.596 19479 4650 1 12 . 1 1 54 54 GLN HA H 54 4.157 4.157 4.186 -0.029 19479 4651 1 12 . 1 1 54 54 GLN CA C 54 59.303 59.303 58.533 0.770 19479 4652 1 12 . 1 1 54 54 GLN CB C 54 28.684 28.684 28.814 -0.130 19479 4653 1 12 . 1 1 54 54 GLN H H 54 7.914 7.914 7.695 0.219 19479 4654 1 12 . 1 1 55 55 VAL N N 55 121.643 121.643 121.201 0.442 19479 4655 1 12 . 1 1 55 55 VAL HA H 55 3.673 3.673 3.973 -0.300 19479 4656 1 12 . 1 1 55 55 VAL CA C 55 67.521 67.521 66.884 0.637 19479 4657 1 12 . 1 1 55 55 VAL CB C 55 31.569 31.569 31.241 0.328 19479 4658 1 12 . 1 1 55 55 VAL H H 55 8.915 8.915 8.663 0.252 19479 4659 1 12 . 1 1 56 56 HIS N N 56 120.993 120.993 119.331 1.662 19479 4660 1 12 . 1 1 56 56 HIS HA H 56 4.314 4.314 4.593 -0.279 19479 4661 1 12 . 1 1 56 56 HIS CA C 56 60.994 60.994 59.150 1.844 19479 4662 1 12 . 1 1 56 56 HIS CB C 56 30.226 30.226 29.881 0.345 19479 4663 1 12 . 1 1 56 56 HIS H H 56 8.328 8.328 8.426 -0.098 19479 4664 1 12 . 1 1 57 57 ARG N N 57 119.241 119.241 117.840 1.401 19479 4665 1 12 . 1 1 57 57 ARG HA H 57 3.963 3.963 4.200 -0.237 19479 4666 1 12 . 1 1 57 57 ARG CA C 57 59.269 59.269 58.553 0.716 19479 4667 1 12 . 1 1 57 57 ARG CB C 57 30.220 30.220 29.888 0.332 19479 4668 1 12 . 1 1 57 57 ARG H H 57 7.849 7.849 7.620 0.229 19479 4669 1 12 . 1 1 58 58 GLU N N 58 116.079 116.079 118.731 -2.652 19479 4670 1 12 . 1 1 58 58 GLU HA H 58 3.944 3.944 4.151 -0.207 19479 4671 1 12 . 1 1 58 58 GLU CA C 58 58.351 58.351 58.373 -0.022 19479 4672 1 12 . 1 1 58 58 GLU CB C 58 30.571 30.571 30.630 -0.059 19479 4673 1 12 . 1 1 58 58 GLU H H 58 7.874 7.874 8.064 -0.190 19479 4674 1 12 . 1 1 59 59 TYR N N 59 112.274 112.274 116.653 -4.379 19479 4675 1 12 . 1 1 59 59 TYR HA H 59 4.686 4.686 4.528 0.158 19479 4676 1 12 . 1 1 59 59 TYR CA C 59 58.616 58.616 58.532 0.084 19479 4677 1 12 . 1 1 59 59 TYR CB C 59 40.589 40.589 38.245 2.344 19479 4678 1 12 . 1 1 59 59 TYR H H 59 8.303 8.303 8.309 -0.006 19479 4679 1 12 . 1 1 60 60 GLN N N 60 115.629 115.629 114.207 1.422 19479 4680 1 12 . 1 1 60 60 GLN HA H 60 3.481 3.481 4.237 -0.756 19479 4681 1 12 . 1 1 60 60 GLN CA C 60 57.418 57.418 56.588 0.830 19479 4682 1 12 . 1 1 60 60 GLN CB C 60 25.628 25.628 26.348 -0.720 19479 4683 1 12 . 1 1 60 60 GLN H H 60 8.382 8.382 7.929 0.453 19479 4684 1 12 . 1 1 61 61 VAL N N 61 114.547 114.547 117.692 -3.145 19479 4685 1 12 . 1 1 61 61 VAL HA H 61 4.347 4.347 4.283 0.064 19479 4686 1 12 . 1 1 61 61 VAL CA C 61 60.118 60.118 60.409 -0.291 19479 4687 1 12 . 1 1 61 61 VAL CB C 61 35.547 35.547 35.355 0.192 19479 4688 1 12 . 1 1 61 61 VAL H H 61 6.532 6.532 7.600 -1.068 19479 4689 1 12 . 1 1 62 62 GLU N N 62 125.938 125.938 129.079 -3.141 19479 4690 1 12 . 1 1 62 62 GLU HA H 62 4.270 4.270 3.280 0.990 19479 4691 1 12 . 1 1 62 62 GLU CA C 62 55.857 55.857 56.813 -0.956 19479 4692 1 12 . 1 1 62 62 GLU CB C 62 30.334 30.334 29.349 0.985 19479 4693 1 12 . 1 1 62 62 GLU H H 62 8.741 8.741 8.386 0.355 19479 4694 1 12 . 1 1 63 63 LEU N N 63 127.837 127.837 129.631 -1.794 19479 4695 1 12 . 1 1 63 63 LEU HA H 63 4.845 4.845 4.811 0.034 19479 4696 1 12 . 1 1 63 63 LEU CA C 63 50.751 50.751 50.776 -0.025 19479 4697 1 12 . 1 1 63 63 LEU CB C 63 43.313 43.313 42.564 0.749 19479 4698 1 12 . 1 1 63 63 LEU H H 63 8.939 8.939 8.030 0.909 19479 4699 1 12 . 1 1 64 64 PRO HA H 64 4.446 4.446 4.573 -0.127 19479 4700 1 12 . 1 1 64 64 PRO CA C 64 62.060 62.060 61.682 0.378 19479 4701 1 12 . 1 1 64 64 PRO CB C 64 32.346 32.346 33.468 -1.122 19479 4702 1 12 . 1 1 65 65 LEU N N 65 126.325 126.325 125.031 1.294 19479 4703 1 12 . 1 1 65 65 LEU HA H 65 3.772 3.772 3.927 -0.155 19479 4704 1 12 . 1 1 65 65 LEU CA C 65 58.426 58.426 57.610 0.816 19479 4705 1 12 . 1 1 65 65 LEU CB C 65 40.688 40.688 41.771 -1.083 19479 4706 1 12 . 1 1 65 65 LEU H H 65 8.746 8.746 8.812 -0.066 19479 4707 1 12 . 1 1 66 66 LYS N N 66 114.157 114.157 118.290 -4.133 19479 4708 1 12 . 1 1 66 66 LYS HA H 66 3.999 3.999 4.445 -0.446 19479 4709 1 12 . 1 1 66 66 LYS CA C 66 59.383 59.383 59.041 0.342 19479 4710 1 12 . 1 1 66 66 LYS CB C 66 32.166 32.166 31.873 0.293 19479 4711 1 12 . 1 1 66 66 LYS H H 66 8.551 8.551 8.468 0.083 19479 4712 1 12 . 1 1 67 67 VAL N N 67 119.827 119.827 119.372 0.455 19479 4713 1 12 . 1 1 67 67 VAL HA H 67 3.611 3.611 3.731 -0.120 19479 4714 1 12 . 1 1 67 67 VAL CA C 67 65.655 65.655 64.841 0.813 19479 4715 1 12 . 1 1 67 67 VAL CB C 67 31.425 31.425 31.355 0.070 19479 4716 1 12 . 1 1 67 67 VAL H H 67 7.190 7.190 7.970 -0.780 19479 4717 1 12 . 1 1 68 68 LEU N N 68 120.867 120.867 121.541 -0.674 19479 4718 1 12 . 1 1 68 68 LEU HA H 68 3.922 3.922 3.841 0.081 19479 4719 1 12 . 1 1 68 68 LEU CA C 68 58.322 58.322 58.066 0.256 19479 4720 1 12 . 1 1 68 68 LEU CB C 68 41.911 41.911 41.043 0.868 19479 4721 1 12 . 1 1 68 68 LEU H H 68 6.936 6.936 7.471 -0.535 19479 4722 1 12 . 1 1 69 69 PHE N N 69 112.682 112.682 114.604 -1.922 19479 4723 1 12 . 1 1 69 69 PHE HA H 69 4.265 4.265 4.616 -0.351 19479 4724 1 12 . 1 1 69 69 PHE CA C 69 60.265 60.265 59.630 0.634 19479 4725 1 12 . 1 1 69 69 PHE CB C 69 38.725 38.725 38.951 -0.226 19479 4726 1 12 . 1 1 69 69 PHE H H 69 8.201 8.201 8.367 -0.166 19479 4727 1 12 . 1 1 70 70 ALA N N 70 118.803 118.803 121.191 -2.388 19479 4728 1 12 . 1 1 70 70 ALA HA H 70 4.302 4.302 3.523 0.779 19479 4729 1 12 . 1 1 70 70 ALA CA C 70 54.025 54.025 52.626 1.399 19479 4730 1 12 . 1 1 70 70 ALA CB C 70 19.656 19.656 19.336 0.320 19479 4731 1 12 . 1 1 70 70 ALA H H 70 7.448 7.448 7.194 0.254 19479 4732 1 12 . 1 1 71 71 GLN N N 71 116.280 116.280 113.704 2.576 19479 4733 1 12 . 1 1 71 71 GLN HA H 71 4.848 4.848 4.739 0.109 19479 4734 1 12 . 1 1 71 71 GLN CA C 71 53.120 53.120 52.467 0.653 19479 4735 1 12 . 1 1 71 71 GLN CB C 71 29.026 29.026 29.314 -0.288 19479 4736 1 12 . 1 1 71 71 GLN H H 71 7.561 7.561 8.174 -0.613 19479 4737 1 12 . 1 1 72 72 PRO HA H 72 4.989 4.989 4.678 0.311 19479 4738 1 12 . 1 1 72 72 PRO CA C 72 64.307 64.307 63.458 0.849 19479 4739 1 12 . 1 1 72 72 PRO CB C 72 30.240 30.240 30.012 0.229 19479 4740 1 12 . 1 1 73 73 THR N N 73 109.972 109.972 112.142 -2.170 19479 4741 1 12 . 1 1 73 73 THR HA H 73 5.198 5.198 5.343 -0.145 19479 4742 1 12 . 1 1 73 73 THR CA C 73 59.292 59.292 59.466 -0.174 19479 4743 1 12 . 1 1 73 73 THR CB C 73 72.314 72.314 73.269 -0.955 19479 4744 1 12 . 1 1 73 73 THR H H 73 8.303 8.303 8.098 0.205 19479 4745 1 12 . 1 1 74 74 ILE N N 74 125.105 125.105 123.881 1.224 19479 4746 1 12 . 1 1 74 74 ILE HA H 74 3.061 3.061 3.275 -0.214 19479 4747 1 12 . 1 1 74 74 ILE CA C 74 66.019 66.019 64.226 1.793 19479 4748 1 12 . 1 1 74 74 ILE CB C 74 37.443 37.443 36.712 0.731 19479 4749 1 12 . 1 1 74 74 ILE H H 74 9.908 9.908 9.003 0.905 19479 4750 1 12 . 1 1 75 75 LYS N N 75 119.445 119.445 121.007 -1.562 19479 4751 1 12 . 1 1 75 75 LYS HA H 75 3.797 3.797 4.053 -0.256 19479 4752 1 12 . 1 1 75 75 LYS CA C 75 60.205 60.205 60.062 0.143 19479 4753 1 12 . 1 1 75 75 LYS CB C 75 33.098 33.098 32.166 0.932 19479 4754 1 12 . 1 1 75 75 LYS H H 75 9.024 9.024 8.094 0.930 19479 4755 1 12 . 1 1 76 76 ALA N N 76 119.581 119.581 121.596 -2.015 19479 4756 1 12 . 1 1 76 76 ALA HA H 76 4.216 4.216 4.071 0.145 19479 4757 1 12 . 1 1 76 76 ALA CA C 76 54.809 54.809 54.965 -0.156 19479 4758 1 12 . 1 1 76 76 ALA CB C 76 19.422 19.422 18.168 1.254 19479 4759 1 12 . 1 1 76 76 ALA H H 76 7.621 7.621 8.183 -0.562 19479 4760 1 12 . 1 1 77 77 LEU N N 77 121.833 121.833 118.796 3.037 19479 4761 1 12 . 1 1 77 77 LEU HA H 77 4.097 4.097 3.927 0.170 19479 4762 1 12 . 1 1 77 77 LEU CA C 77 57.612 57.612 57.800 -0.188 19479 4763 1 12 . 1 1 77 77 LEU CB C 77 42.192 42.192 41.434 0.758 19479 4764 1 12 . 1 1 77 77 LEU H H 77 8.915 8.915 8.216 0.699 19479 4765 1 12 . 1 1 78 78 ALA N N 78 120.481 120.481 121.925 -1.444 19479 4766 1 12 . 1 1 78 78 ALA HA H 78 3.751 3.751 3.883 -0.132 19479 4767 1 12 . 1 1 78 78 ALA CA C 78 55.117 55.117 55.254 -0.137 19479 4768 1 12 . 1 1 78 78 ALA CB C 78 19.603 19.603 18.116 1.487 19479 4769 1 12 . 1 1 78 78 ALA H H 78 9.393 9.393 8.614 0.779 19479 4770 1 12 . 1 1 79 79 GLN N N 79 117.799 117.799 118.744 -0.945 19479 4771 1 12 . 1 1 79 79 GLN HA H 79 4.069 4.069 4.014 0.055 19479 4772 1 12 . 1 1 79 79 GLN CA C 79 58.790 58.790 58.841 -0.051 19479 4773 1 12 . 1 1 79 79 GLN CB C 79 28.256 28.256 28.944 -0.688 19479 4774 1 12 . 1 1 79 79 GLN H H 79 7.179 7.179 8.162 -0.983 19479 4775 1 12 . 1 1 80 80 TYR N N 80 121.754 121.754 121.597 0.157 19479 4776 1 12 . 1 1 80 80 TYR HA H 80 3.982 3.982 4.097 -0.115 19479 4777 1 12 . 1 1 80 80 TYR CA C 80 61.965 61.965 61.575 0.390 19479 4778 1 12 . 1 1 80 80 TYR CB C 80 38.227 38.227 38.566 -0.339 19479 4779 1 12 . 1 1 80 80 TYR H H 80 7.716 7.716 8.443 -0.727 19479 4780 1 12 . 1 1 81 81 VAL N N 81 117.864 117.864 118.628 -0.764 19479 4781 1 12 . 1 1 81 81 VAL HA H 81 3.264 3.264 3.613 -0.349 19479 4782 1 12 . 1 1 81 81 VAL CA C 81 66.719 66.719 65.812 0.907 19479 4783 1 12 . 1 1 81 81 VAL CB C 81 32.032 32.032 31.064 0.968 19479 4784 1 12 . 1 1 81 81 VAL H H 81 8.536 8.536 8.588 -0.052 19479 4785 1 12 . 1 1 82 82 ALA N N 82 121.044 121.044 122.513 -1.469 19479 4786 1 12 . 1 1 82 82 ALA HA H 82 3.931 3.931 4.010 -0.079 19479 4787 1 12 . 1 1 82 82 ALA CA C 82 55.130 55.130 55.501 -0.371 19479 4788 1 12 . 1 1 82 82 ALA CB C 82 18.588 18.588 18.176 0.412 19479 4789 1 12 . 1 1 82 82 ALA H H 82 8.420 8.420 8.305 0.115 19479 4790 1 12 . 1 1 83 83 THR N N 83 109.020 109.020 111.355 -2.335 19479 4791 1 12 . 1 1 83 83 THR HA H 83 4.081 4.081 4.093 -0.012 19479 4792 1 12 . 1 1 83 83 THR CA C 83 64.388 64.388 64.608 -0.220 19479 4793 1 12 . 1 1 83 83 THR CB C 83 69.529 69.529 68.835 0.694 19479 4794 1 12 . 1 1 83 83 THR H H 83 7.558 7.558 7.954 -0.396 19479 4795 1 12 . 1 1 84 84 ARG N N 84 119.856 119.856 118.604 1.252 19479 4796 1 12 . 1 1 84 84 ARG HA H 84 4.199 4.199 4.338 -0.139 19479 4797 1 12 . 1 1 84 84 ARG CA C 84 56.279 56.279 58.139 -1.860 19479 4798 1 12 . 1 1 84 84 ARG CB C 84 30.866 30.866 30.691 0.175 19479 4799 1 12 . 1 1 84 84 ARG H H 84 7.368 7.368 7.365 0.003 19479 4800 1 12 . 1 1 85 85 SER N N 85 114.607 114.607 113.714 0.893 19479 4801 1 12 . 1 1 85 85 SER HA H 85 4.301 4.301 4.700 -0.399 19479 4802 1 12 . 1 1 85 85 SER CA C 85 58.927 58.927 59.856 -0.929 19479 4803 1 12 . 1 1 85 85 SER CB C 85 63.778 63.778 63.919 -0.141 19479 4804 1 12 . 1 1 85 85 SER H H 85 7.783 7.783 8.280 -0.497 19479 4805 1 12 . 1 1 86 86 HIS HA H 86 4.608 4.608 4.189 0.419 19479 4806 1 12 . 1 1 86 86 HIS CA C 86 56.102 56.102 57.335 -1.233 19479 4807 1 12 . 1 1 86 86 HIS CB C 86 30.233 30.233 29.894 0.339 19479 4808 1 12 . 1 1 87 87 HIS N N 87 125.453 125.453 117.076 8.377 19479 4809 1 12 . 1 1 87 87 HIS HA H 87 4.421 4.421 4.093 0.328 19479 4810 1 12 . 1 1 87 87 HIS CA C 87 57.381 57.381 56.744 0.637 19479 4811 1 12 . 1 1 87 87 HIS CB C 87 30.430 30.430 26.941 3.489 19479 4812 1 12 . 1 1 87 87 HIS H H 87 8.102 8.102 8.398 -0.296 19479 4813 1 13 . 1 1 3 3 VAL HA H 3 4.160 4.160 4.142 0.018 19479 4814 1 13 . 1 1 3 3 VAL CA C 3 63.130 63.130 61.188 1.942 19479 4815 1 13 . 1 1 3 3 VAL CB C 3 32.605 32.605 32.922 -0.317 19479 4816 1 13 . 1 1 4 4 THR N N 4 117.074 117.074 119.385 -2.311 19479 4817 1 13 . 1 1 4 4 THR HA H 4 4.454 4.454 4.288 0.166 19479 4818 1 13 . 1 1 4 4 THR CA C 4 61.454 61.454 63.673 -2.219 19479 4819 1 13 . 1 1 4 4 THR CB C 4 70.203 70.203 68.942 1.261 19479 4820 1 13 . 1 1 4 4 THR H H 4 8.269 8.269 8.485 -0.216 19479 4821 1 13 . 1 1 5 5 GLU N N 5 122.628 122.628 126.868 -4.240 19479 4822 1 13 . 1 1 5 5 GLU HA H 5 4.305 4.305 4.496 -0.191 19479 4823 1 13 . 1 1 5 5 GLU CA C 5 56.689 56.689 56.771 -0.082 19479 4824 1 13 . 1 1 5 5 GLU CB C 5 30.297 30.297 30.129 0.168 19479 4825 1 13 . 1 1 5 5 GLU H H 5 8.465 8.465 8.685 -0.220 19479 4826 1 13 . 1 1 6 6 ALA N N 6 124.915 124.915 124.098 0.817 19479 4827 1 13 . 1 1 6 6 ALA HA H 6 4.301 4.301 4.699 -0.398 19479 4828 1 13 . 1 1 6 6 ALA CA C 6 52.392 52.392 51.434 0.958 19479 4829 1 13 . 1 1 6 6 ALA CB C 6 19.520 19.520 20.473 -0.953 19479 4830 1 13 . 1 1 6 6 ALA H H 6 8.333 8.333 8.034 0.299 19479 4831 1 13 . 1 1 7 7 GLN N N 7 120.476 120.476 121.265 -0.789 19479 4832 1 13 . 1 1 7 7 GLN HA H 7 4.275 4.275 4.292 -0.017 19479 4833 1 13 . 1 1 7 7 GLN CA C 7 55.512 55.512 55.121 0.391 19479 4834 1 13 . 1 1 7 7 GLN CB C 7 29.495 29.495 29.484 0.011 19479 4835 1 13 . 1 1 7 7 GLN H H 7 8.340 8.340 8.353 -0.013 19479 4836 1 13 . 1 1 8 8 TYR N N 8 124.499 124.499 122.048 2.451 19479 4837 1 13 . 1 1 8 8 TYR HA H 8 4.386 4.386 4.476 -0.090 19479 4838 1 13 . 1 1 8 8 TYR CA C 8 60.233 60.233 58.127 2.106 19479 4839 1 13 . 1 1 8 8 TYR CB C 8 38.173 38.173 38.589 -0.416 19479 4840 1 13 . 1 1 8 8 TYR H H 8 8.506 8.506 8.533 -0.027 19479 4841 1 13 . 1 1 9 9 VAL N N 9 130.011 130.011 130.526 -0.515 19479 4842 1 13 . 1 1 9 9 VAL HA H 9 3.748 3.748 3.910 -0.162 19479 4843 1 13 . 1 1 9 9 VAL CA C 9 61.317 61.317 60.186 1.131 19479 4844 1 13 . 1 1 9 9 VAL CB C 9 34.738 34.738 34.904 -0.166 19479 4845 1 13 . 1 1 9 9 VAL H H 9 6.756 6.756 8.009 -1.253 19479 4846 1 13 . 1 1 10 10 ALA N N 10 130.264 130.264 128.321 1.943 19479 4847 1 13 . 1 1 10 10 ALA HA H 10 4.172 4.172 4.584 -0.412 19479 4848 1 13 . 1 1 10 10 ALA CA C 10 50.602 50.602 50.811 -0.209 19479 4849 1 13 . 1 1 10 10 ALA CB C 10 17.676 17.676 18.266 -0.590 19479 4850 1 13 . 1 1 10 10 ALA H H 10 8.125 8.125 8.042 0.083 19479 4851 1 13 . 1 1 11 11 PRO HA H 11 4.186 4.186 4.295 -0.109 19479 4852 1 13 . 1 1 11 11 PRO CA C 11 63.808 63.808 63.116 0.692 19479 4853 1 13 . 1 1 11 11 PRO CB C 11 32.674 32.674 32.308 0.366 19479 4854 1 13 . 1 1 12 12 THR N N 12 113.591 113.591 110.879 2.712 19479 4855 1 13 . 1 1 12 12 THR HA H 12 4.469 4.469 4.375 0.094 19479 4856 1 13 . 1 1 12 12 THR CA C 12 61.950 61.950 61.446 0.504 19479 4857 1 13 . 1 1 12 12 THR CB C 12 71.622 71.622 69.998 1.624 19479 4858 1 13 . 1 1 12 12 THR H H 12 9.701 9.701 8.929 0.772 19479 4859 1 13 . 1 1 13 13 ASN N N 13 116.088 116.088 120.098 -4.010 19479 4860 1 13 . 1 1 13 13 ASN HA H 13 4.771 4.771 4.855 -0.084 19479 4861 1 13 . 1 1 13 13 ASN CA C 13 51.947 51.947 51.419 0.528 19479 4862 1 13 . 1 1 13 13 ASN CB C 13 39.736 39.736 40.873 -1.137 19479 4863 1 13 . 1 1 13 13 ASN H H 13 7.423 7.423 7.879 -0.456 19479 4864 1 13 . 1 1 14 14 ALA HA H 14 4.136 4.136 4.052 0.084 19479 4865 1 13 . 1 1 14 14 ALA CA C 14 55.484 55.484 54.817 0.667 19479 4866 1 13 . 1 1 14 14 ALA CB C 14 19.020 19.020 18.472 0.548 19479 4867 1 13 . 1 1 15 15 VAL N N 15 120.332 120.332 117.422 2.910 19479 4868 1 13 . 1 1 15 15 VAL HA H 15 4.191 4.191 3.723 0.468 19479 4869 1 13 . 1 1 15 15 VAL CA C 15 65.158 65.158 65.641 -0.483 19479 4870 1 13 . 1 1 15 15 VAL CB C 15 31.513 31.513 31.710 -0.197 19479 4871 1 13 . 1 1 15 15 VAL H H 15 7.938 7.938 8.248 -0.310 19479 4872 1 13 . 1 1 16 16 GLU N N 16 118.751 118.751 120.680 -1.929 19479 4873 1 13 . 1 1 16 16 GLU HA H 16 3.550 3.550 3.876 -0.326 19479 4874 1 13 . 1 1 16 16 GLU CA C 16 59.495 59.495 59.706 -0.212 19479 4875 1 13 . 1 1 16 16 GLU CB C 16 30.851 30.851 29.066 1.785 19479 4876 1 13 . 1 1 16 16 GLU H H 16 8.470 8.470 7.923 0.547 19479 4877 1 13 . 1 1 17 17 SER N N 17 112.637 112.637 114.939 -2.302 19479 4878 1 13 . 1 1 17 17 SER HA H 17 3.968 3.968 4.089 -0.121 19479 4879 1 13 . 1 1 17 17 SER CA C 17 62.523 62.523 61.669 0.854 19479 4880 1 13 . 1 1 17 17 SER CB C 17 62.669 62.669 62.872 -0.203 19479 4881 1 13 . 1 1 17 17 SER H H 17 8.386 8.386 7.893 0.493 19479 4882 1 13 . 1 1 18 18 LYS N N 18 124.394 124.394 121.497 2.897 19479 4883 1 13 . 1 1 18 18 LYS HA H 18 4.287 4.287 4.023 0.264 19479 4884 1 13 . 1 1 18 18 LYS CA C 18 57.421 57.421 59.172 -1.751 19479 4885 1 13 . 1 1 18 18 LYS CB C 18 30.018 30.018 32.202 -2.184 19479 4886 1 13 . 1 1 18 18 LYS H H 18 8.104 8.104 7.428 0.676 19479 4887 1 13 . 1 1 19 19 LEU N N 19 118.589 118.589 119.661 -1.072 19479 4888 1 13 . 1 1 19 19 LEU HA H 19 4.027 4.027 4.077 -0.050 19479 4889 1 13 . 1 1 19 19 LEU CA C 19 58.178 58.178 58.435 -0.257 19479 4890 1 13 . 1 1 19 19 LEU CB C 19 42.135 42.135 41.389 0.746 19479 4891 1 13 . 1 1 19 19 LEU H H 19 8.742 8.742 8.000 0.742 19479 4892 1 13 . 1 1 20 20 ALA N N 20 121.037 121.037 121.538 -0.501 19479 4893 1 13 . 1 1 20 20 ALA HA H 20 3.775 3.775 3.659 0.116 19479 4894 1 13 . 1 1 20 20 ALA CA C 20 56.194 56.194 55.245 0.949 19479 4895 1 13 . 1 1 20 20 ALA CB C 20 16.862 16.862 17.939 -1.077 19479 4896 1 13 . 1 1 20 20 ALA H H 20 8.199 8.199 8.411 -0.212 19479 4897 1 13 . 1 1 21 21 GLU N N 21 118.948 118.948 118.527 0.421 19479 4898 1 13 . 1 1 21 21 GLU HA H 21 4.129 4.129 4.096 0.033 19479 4899 1 13 . 1 1 21 21 GLU CA C 21 59.788 59.788 59.547 0.241 19479 4900 1 13 . 1 1 21 21 GLU CB C 21 29.887 29.887 29.545 0.342 19479 4901 1 13 . 1 1 21 21 GLU H H 21 7.716 7.716 7.988 -0.272 19479 4902 1 13 . 1 1 22 22 ILE N N 22 120.355 120.355 120.150 0.205 19479 4903 1 13 . 1 1 22 22 ILE HA H 22 3.780 3.780 3.953 -0.173 19479 4904 1 13 . 1 1 22 22 ILE CA C 22 65.850 65.850 63.906 1.944 19479 4905 1 13 . 1 1 22 22 ILE CB C 22 38.677 38.677 36.986 1.691 19479 4906 1 13 . 1 1 22 22 ILE H H 22 8.409 8.409 8.021 0.388 19479 4907 1 13 . 1 1 23 23 TRP N N 23 120.272 120.272 120.103 0.169 19479 4908 1 13 . 1 1 23 23 TRP HA H 23 4.191 4.191 4.382 -0.191 19479 4909 1 13 . 1 1 23 23 TRP CA C 23 61.819 61.819 60.805 1.014 19479 4910 1 13 . 1 1 23 23 TRP CB C 23 29.177 29.177 28.210 0.967 19479 4911 1 13 . 1 1 23 23 TRP H H 23 9.551 9.551 8.853 0.698 19479 4912 1 13 . 1 1 24 24 GLU N N 24 119.281 119.281 119.625 -0.344 19479 4913 1 13 . 1 1 24 24 GLU HA H 24 4.210 4.210 4.082 0.128 19479 4914 1 13 . 1 1 24 24 GLU CA C 24 60.695 60.695 59.825 0.870 19479 4915 1 13 . 1 1 24 24 GLU CB C 24 29.397 29.397 29.577 -0.180 19479 4916 1 13 . 1 1 24 24 GLU H H 24 9.039 9.039 8.260 0.779 19479 4917 1 13 . 1 1 25 25 ARG N N 25 119.408 119.408 118.580 0.828 19479 4918 1 13 . 1 1 25 25 ARG HA H 25 4.205 4.205 4.164 0.041 19479 4919 1 13 . 1 1 25 25 ARG CA C 25 59.015 59.015 58.703 0.312 19479 4920 1 13 . 1 1 25 25 ARG CB C 25 30.246 30.246 30.023 0.223 19479 4921 1 13 . 1 1 25 25 ARG H H 25 8.060 8.060 8.034 0.026 19479 4922 1 13 . 1 1 26 26 VAL N N 26 119.220 119.220 119.557 -0.337 19479 4923 1 13 . 1 1 26 26 VAL HA H 26 3.782 3.782 3.742 0.040 19479 4924 1 13 . 1 1 26 26 VAL CA C 26 65.845 65.845 65.663 0.182 19479 4925 1 13 . 1 1 26 26 VAL CB C 26 32.717 32.717 32.112 0.605 19479 4926 1 13 . 1 1 26 26 VAL H H 26 8.475 8.475 7.873 0.602 19479 4927 1 13 . 1 1 27 27 LEU N N 27 116.095 116.095 115.898 0.197 19479 4928 1 13 . 1 1 27 27 LEU HA H 27 4.018 4.018 4.036 -0.018 19479 4929 1 13 . 1 1 27 27 LEU CA C 27 55.757 55.757 55.942 -0.185 19479 4930 1 13 . 1 1 27 27 LEU CB C 27 42.504 42.504 42.080 0.424 19479 4931 1 13 . 1 1 27 27 LEU H H 27 9.005 9.005 8.234 0.771 19479 4932 1 13 . 1 1 28 28 GLY N N 28 108.722 108.722 107.140 1.582 19479 4933 1 13 . 1 1 28 28 GLY CA C 28 46.721 46.721 45.649 1.072 19479 4934 1 13 . 1 1 28 28 GLY H H 28 8.056 8.056 8.217 -0.161 19479 4935 1 13 . 1 1 29 29 VAL N N 29 115.103 115.103 115.865 -0.762 19479 4936 1 13 . 1 1 29 29 VAL HA H 29 4.457 4.457 4.772 -0.315 19479 4937 1 13 . 1 1 29 29 VAL CA C 29 59.845 59.845 59.155 0.690 19479 4938 1 13 . 1 1 29 29 VAL CB C 29 35.477 35.477 34.070 1.407 19479 4939 1 13 . 1 1 29 29 VAL H H 29 7.044 7.044 7.538 -0.494 19479 4940 1 13 . 1 1 30 30 SER N N 30 115.417 115.417 115.041 0.376 19479 4941 1 13 . 1 1 30 30 SER HA H 30 4.683 4.683 4.881 -0.198 19479 4942 1 13 . 1 1 30 30 SER CA C 30 56.970 56.970 57.816 -0.845 19479 4943 1 13 . 1 1 30 30 SER CB C 30 65.294 65.294 64.118 1.176 19479 4944 1 13 . 1 1 30 30 SER H H 30 8.151 8.151 8.228 -0.077 19479 4945 1 13 . 1 1 31 31 GLY N N 31 112.008 112.008 115.906 -3.898 19479 4946 1 13 . 1 1 31 31 GLY CA C 31 46.545 46.545 44.727 1.818 19479 4947 1 13 . 1 1 31 31 GLY H H 31 8.573 8.573 8.862 -0.289 19479 4948 1 13 . 1 1 32 32 ILE N N 32 121.204 121.204 122.438 -1.234 19479 4949 1 13 . 1 1 32 32 ILE HA H 32 3.898 3.898 4.052 -0.154 19479 4950 1 13 . 1 1 32 32 ILE CA C 32 63.126 63.126 60.692 2.434 19479 4951 1 13 . 1 1 32 32 ILE CB C 32 38.993 38.993 37.556 1.437 19479 4952 1 13 . 1 1 32 32 ILE H H 32 8.241 8.241 7.565 0.676 19479 4953 1 13 . 1 1 33 33 GLY N N 33 115.038 115.038 113.797 1.241 19479 4954 1 13 . 1 1 33 33 GLY CA C 33 44.330 44.330 43.792 0.538 19479 4955 1 13 . 1 1 33 33 GLY H H 33 8.760 8.760 8.269 0.491 19479 4956 1 13 . 1 1 34 34 ILE N N 34 110.067 110.067 120.536 -10.469 19479 4957 1 13 . 1 1 34 34 ILE HA H 34 4.017 4.017 3.874 0.143 19479 4958 1 13 . 1 1 34 34 ILE CA C 34 64.500 64.500 64.197 0.303 19479 4959 1 13 . 1 1 34 34 ILE CB C 34 37.731 37.731 37.812 -0.081 19479 4960 1 13 . 1 1 34 34 ILE H H 34 8.566 8.566 8.604 -0.038 19479 4961 1 13 . 1 1 35 35 LEU N N 35 117.052 117.052 113.228 3.824 19479 4962 1 13 . 1 1 35 35 LEU HA H 35 4.692 4.692 4.615 0.077 19479 4963 1 13 . 1 1 35 35 LEU CA C 35 53.247 53.247 53.596 -0.349 19479 4964 1 13 . 1 1 35 35 LEU CB C 35 42.094 42.094 41.521 0.573 19479 4965 1 13 . 1 1 35 35 LEU H H 35 8.191 8.191 7.753 0.438 19479 4966 1 13 . 1 1 36 36 ASP N N 36 121.535 121.535 122.978 -1.443 19479 4967 1 13 . 1 1 36 36 ASP HA H 36 4.387 4.387 4.657 -0.270 19479 4968 1 13 . 1 1 36 36 ASP CA C 36 55.244 55.244 55.038 0.206 19479 4969 1 13 . 1 1 36 36 ASP CB C 36 41.170 41.170 42.863 -1.693 19479 4970 1 13 . 1 1 36 36 ASP H H 36 7.098 7.098 7.551 -0.453 19479 4971 1 13 . 1 1 37 37 ASN N N 37 123.266 123.266 123.523 -0.257 19479 4972 1 13 . 1 1 37 37 ASN HA H 37 4.954 4.954 5.420 -0.466 19479 4973 1 13 . 1 1 37 37 ASN CA C 37 53.319 53.319 53.353 -0.034 19479 4974 1 13 . 1 1 37 37 ASN CB C 37 39.610 39.610 39.545 0.065 19479 4975 1 13 . 1 1 37 37 ASN H H 37 9.116 9.116 8.670 0.446 19479 4976 1 13 . 1 1 38 38 PHE N N 38 126.469 126.469 126.973 -0.504 19479 4977 1 13 . 1 1 38 38 PHE HA H 38 3.393 3.393 3.686 -0.293 19479 4978 1 13 . 1 1 38 38 PHE CA C 38 61.965 61.965 62.346 -0.381 19479 4979 1 13 . 1 1 38 38 PHE CB C 38 40.851 40.851 38.742 2.109 19479 4980 1 13 . 1 1 38 38 PHE H H 38 9.344 9.344 8.700 0.644 19479 4981 1 13 . 1 1 39 39 PHE N N 39 112.189 112.189 114.846 -2.657 19479 4982 1 13 . 1 1 39 39 PHE HA H 39 3.933 3.933 4.509 -0.576 19479 4983 1 13 . 1 1 39 39 PHE CA C 39 59.682 59.682 60.501 -0.819 19479 4984 1 13 . 1 1 39 39 PHE CB C 39 38.040 38.040 38.314 -0.274 19479 4985 1 13 . 1 1 39 39 PHE H H 39 8.052 8.052 8.035 0.017 19479 4986 1 13 . 1 1 40 40 GLN N N 40 119.928 119.928 120.127 -0.199 19479 4987 1 13 . 1 1 40 40 GLN HA H 40 4.392 4.392 4.184 0.208 19479 4988 1 13 . 1 1 40 40 GLN CA C 40 57.191 57.191 58.085 -0.894 19479 4989 1 13 . 1 1 40 40 GLN CB C 40 29.466 29.466 28.178 1.288 19479 4990 1 13 . 1 1 40 40 GLN H H 40 8.297 8.297 8.062 0.235 19479 4991 1 13 . 1 1 41 41 ILE N N 41 110.997 110.997 117.385 -6.388 19479 4992 1 13 . 1 1 41 41 ILE HA H 41 4.493 4.493 3.887 0.606 19479 4993 1 13 . 1 1 41 41 ILE CA C 41 61.348 61.348 62.089 -0.741 19479 4994 1 13 . 1 1 41 41 ILE CB C 41 37.882 37.882 38.100 -0.218 19479 4995 1 13 . 1 1 41 41 ILE H H 41 7.133 7.133 7.493 -0.360 19479 4996 1 13 . 1 1 42 42 GLY N N 42 106.355 106.355 106.337 0.018 19479 4997 1 13 . 1 1 42 42 GLY CA C 42 44.679 44.679 44.574 0.105 19479 4998 1 13 . 1 1 42 42 GLY H H 42 7.433 7.433 7.383 0.050 19479 4999 1 13 . 1 1 43 43 GLY N N 43 107.808 107.808 108.254 -0.446 19479 5000 1 13 . 1 1 43 43 GLY CA C 43 45.389 45.389 44.094 1.295 19479 5001 1 13 . 1 1 43 43 GLY H H 43 7.826 7.826 7.543 0.283 19479 5002 1 13 . 1 1 44 44 HIS N N 44 112.337 112.337 118.237 -5.900 19479 5003 1 13 . 1 1 44 44 HIS HA H 44 4.979 4.979 5.027 -0.048 19479 5004 1 13 . 1 1 44 44 HIS CA C 44 54.773 54.773 54.808 -0.035 19479 5005 1 13 . 1 1 44 44 HIS CB C 44 31.867 31.867 30.875 0.992 19479 5006 1 13 . 1 1 44 44 HIS H H 44 6.369 6.369 7.858 -1.489 19479 5007 1 13 . 1 1 45 45 ALA HA H 45 4.264 4.264 4.203 0.061 19479 5008 1 13 . 1 1 45 45 ALA CA C 45 57.581 57.581 55.573 2.008 19479 5009 1 13 . 1 1 45 45 ALA CB C 45 18.718 18.718 18.298 0.420 19479 5010 1 13 . 1 1 46 46 LEU N N 46 117.791 117.791 118.669 -0.878 19479 5011 1 13 . 1 1 46 46 LEU HA H 46 4.420 4.420 4.080 0.340 19479 5012 1 13 . 1 1 46 46 LEU CA C 46 58.559 58.559 58.335 0.224 19479 5013 1 13 . 1 1 46 46 LEU CB C 46 41.652 41.652 42.019 -0.367 19479 5014 1 13 . 1 1 46 46 LEU H H 46 8.807 8.807 8.380 0.427 19479 5015 1 13 . 1 1 47 47 LYS N N 47 118.822 118.822 118.292 0.530 19479 5016 1 13 . 1 1 47 47 LYS HA H 47 4.200 4.200 3.840 0.360 19479 5017 1 13 . 1 1 47 47 LYS CA C 47 58.352 58.352 58.689 -0.337 19479 5018 1 13 . 1 1 47 47 LYS CB C 47 32.994 32.994 31.344 1.650 19479 5019 1 13 . 1 1 47 47 LYS H H 47 7.589 7.589 7.188 0.401 19479 5020 1 13 . 1 1 48 48 ALA N N 48 122.769 122.769 122.623 0.146 19479 5021 1 13 . 1 1 48 48 ALA HA H 48 3.575 3.575 3.525 0.050 19479 5022 1 13 . 1 1 48 48 ALA CA C 48 55.102 55.102 55.030 0.072 19479 5023 1 13 . 1 1 48 48 ALA CB C 48 18.239 18.239 18.082 0.157 19479 5024 1 13 . 1 1 48 48 ALA H H 48 8.736 8.736 8.491 0.245 19479 5025 1 13 . 1 1 49 49 MET N N 49 116.936 116.936 117.156 -0.220 19479 5026 1 13 . 1 1 49 49 MET HA H 49 4.169 4.169 4.071 0.098 19479 5027 1 13 . 1 1 49 49 MET CA C 49 58.869 58.869 58.112 0.756 19479 5028 1 13 . 1 1 49 49 MET CB C 49 32.511 32.511 31.833 0.678 19479 5029 1 13 . 1 1 49 49 MET H H 49 8.000 8.000 8.002 -0.002 19479 5030 1 13 . 1 1 50 50 ALA N N 50 123.686 123.686 122.042 1.644 19479 5031 1 13 . 1 1 50 50 ALA HA H 50 4.401 4.401 4.075 0.326 19479 5032 1 13 . 1 1 50 50 ALA CA C 50 55.265 55.265 55.132 0.133 19479 5033 1 13 . 1 1 50 50 ALA CB C 50 18.320 18.320 17.961 0.359 19479 5034 1 13 . 1 1 50 50 ALA H H 50 7.389 7.389 8.012 -0.623 19479 5035 1 13 . 1 1 51 51 VAL N N 51 118.885 118.885 118.759 0.126 19479 5036 1 13 . 1 1 51 51 VAL HA H 51 3.437 3.437 3.555 -0.118 19479 5037 1 13 . 1 1 51 51 VAL CA C 51 66.975 66.975 66.263 0.712 19479 5038 1 13 . 1 1 51 51 VAL CB C 51 31.268 31.268 31.324 -0.056 19479 5039 1 13 . 1 1 51 51 VAL H H 51 7.981 7.981 7.563 0.418 19479 5040 1 13 . 1 1 52 52 ALA N N 52 121.555 121.555 122.156 -0.601 19479 5041 1 13 . 1 1 52 52 ALA HA H 52 3.990 3.990 3.894 0.096 19479 5042 1 13 . 1 1 52 52 ALA CA C 52 56.056 56.056 55.058 0.998 19479 5043 1 13 . 1 1 52 52 ALA CB C 52 18.099 18.099 18.075 0.024 19479 5044 1 13 . 1 1 52 52 ALA H H 52 8.499 8.499 7.845 0.654 19479 5045 1 13 . 1 1 53 53 ALA N N 53 121.958 121.958 120.040 1.918 19479 5046 1 13 . 1 1 53 53 ALA HA H 53 4.346 4.346 4.050 0.296 19479 5047 1 13 . 1 1 53 53 ALA CA C 53 55.454 55.454 55.057 0.397 19479 5048 1 13 . 1 1 53 53 ALA CB C 53 18.079 18.079 18.287 -0.208 19479 5049 1 13 . 1 1 53 53 ALA H H 53 8.238 8.238 8.106 0.132 19479 5050 1 13 . 1 1 54 54 GLN N N 54 118.520 118.520 118.221 0.299 19479 5051 1 13 . 1 1 54 54 GLN HA H 54 4.157 4.157 4.162 -0.005 19479 5052 1 13 . 1 1 54 54 GLN CA C 54 59.303 59.303 58.566 0.737 19479 5053 1 13 . 1 1 54 54 GLN CB C 54 28.684 28.684 29.076 -0.392 19479 5054 1 13 . 1 1 54 54 GLN H H 54 7.914 7.914 7.628 0.286 19479 5055 1 13 . 1 1 55 55 VAL N N 55 121.643 121.643 121.543 0.100 19479 5056 1 13 . 1 1 55 55 VAL HA H 55 3.673 3.673 3.830 -0.157 19479 5057 1 13 . 1 1 55 55 VAL CA C 55 67.521 67.521 67.387 0.134 19479 5058 1 13 . 1 1 55 55 VAL CB C 55 31.569 31.569 31.862 -0.293 19479 5059 1 13 . 1 1 55 55 VAL H H 55 8.915 8.915 8.638 0.277 19479 5060 1 13 . 1 1 56 56 HIS N N 56 120.993 120.993 118.962 2.031 19479 5061 1 13 . 1 1 56 56 HIS HA H 56 4.314 4.314 4.699 -0.385 19479 5062 1 13 . 1 1 56 56 HIS CA C 56 60.994 60.994 58.723 2.271 19479 5063 1 13 . 1 1 56 56 HIS CB C 56 30.226 30.226 29.916 0.310 19479 5064 1 13 . 1 1 56 56 HIS H H 56 8.328 8.328 8.577 -0.249 19479 5065 1 13 . 1 1 57 57 ARG N N 57 119.241 119.241 118.110 1.131 19479 5066 1 13 . 1 1 57 57 ARG HA H 57 3.963 3.963 4.231 -0.268 19479 5067 1 13 . 1 1 57 57 ARG CA C 57 59.269 59.269 58.564 0.705 19479 5068 1 13 . 1 1 57 57 ARG CB C 57 30.220 30.220 29.896 0.324 19479 5069 1 13 . 1 1 57 57 ARG H H 57 7.849 7.849 7.647 0.202 19479 5070 1 13 . 1 1 58 58 GLU N N 58 116.079 116.079 118.718 -2.639 19479 5071 1 13 . 1 1 58 58 GLU HA H 58 3.944 3.944 4.244 -0.300 19479 5072 1 13 . 1 1 58 58 GLU CA C 58 58.351 58.351 58.368 -0.017 19479 5073 1 13 . 1 1 58 58 GLU CB C 58 30.571 30.571 30.715 -0.144 19479 5074 1 13 . 1 1 58 58 GLU H H 58 7.874 7.874 8.166 -0.292 19479 5075 1 13 . 1 1 59 59 TYR N N 59 112.274 112.274 117.821 -5.547 19479 5076 1 13 . 1 1 59 59 TYR HA H 59 4.686 4.686 4.531 0.155 19479 5077 1 13 . 1 1 59 59 TYR CA C 59 58.616 58.616 59.397 -0.781 19479 5078 1 13 . 1 1 59 59 TYR CB C 59 40.589 40.589 38.342 2.247 19479 5079 1 13 . 1 1 59 59 TYR H H 59 8.303 8.303 8.601 -0.298 19479 5080 1 13 . 1 1 60 60 GLN N N 60 115.629 115.629 116.048 -0.419 19479 5081 1 13 . 1 1 60 60 GLN HA H 60 3.481 3.481 4.307 -0.826 19479 5082 1 13 . 1 1 60 60 GLN CA C 60 57.418 57.418 56.935 0.483 19479 5083 1 13 . 1 1 60 60 GLN CB C 60 25.628 25.628 26.818 -1.190 19479 5084 1 13 . 1 1 60 60 GLN H H 60 8.382 8.382 8.108 0.274 19479 5085 1 13 . 1 1 61 61 VAL N N 61 114.547 114.547 116.920 -2.373 19479 5086 1 13 . 1 1 61 61 VAL HA H 61 4.347 4.347 4.234 0.113 19479 5087 1 13 . 1 1 61 61 VAL CA C 61 60.118 60.118 59.933 0.185 19479 5088 1 13 . 1 1 61 61 VAL CB C 61 35.547 35.547 35.699 -0.152 19479 5089 1 13 . 1 1 61 61 VAL H H 61 6.532 6.532 7.990 -1.458 19479 5090 1 13 . 1 1 62 62 GLU N N 62 125.938 125.938 128.349 -2.411 19479 5091 1 13 . 1 1 62 62 GLU HA H 62 4.270 4.270 3.467 0.803 19479 5092 1 13 . 1 1 62 62 GLU CA C 62 55.857 55.857 56.762 -0.905 19479 5093 1 13 . 1 1 62 62 GLU CB C 62 30.334 30.334 30.114 0.220 19479 5094 1 13 . 1 1 62 62 GLU H H 62 8.741 8.741 8.350 0.391 19479 5095 1 13 . 1 1 63 63 LEU N N 63 127.837 127.837 128.521 -0.684 19479 5096 1 13 . 1 1 63 63 LEU HA H 63 4.845 4.845 4.734 0.111 19479 5097 1 13 . 1 1 63 63 LEU CA C 63 50.751 50.751 50.524 0.227 19479 5098 1 13 . 1 1 63 63 LEU CB C 63 43.313 43.313 42.037 1.276 19479 5099 1 13 . 1 1 63 63 LEU H H 63 8.939 8.939 8.282 0.657 19479 5100 1 13 . 1 1 64 64 PRO HA H 64 4.446 4.446 4.501 -0.055 19479 5101 1 13 . 1 1 64 64 PRO CA C 64 62.060 62.060 61.909 0.151 19479 5102 1 13 . 1 1 64 64 PRO CB C 64 32.346 32.346 33.200 -0.854 19479 5103 1 13 . 1 1 65 65 LEU N N 65 126.325 126.325 124.055 2.270 19479 5104 1 13 . 1 1 65 65 LEU HA H 65 3.772 3.772 3.931 -0.159 19479 5105 1 13 . 1 1 65 65 LEU CA C 65 58.426 58.426 57.376 1.050 19479 5106 1 13 . 1 1 65 65 LEU CB C 65 40.688 40.688 41.996 -1.308 19479 5107 1 13 . 1 1 65 65 LEU H H 65 8.746 8.746 8.885 -0.139 19479 5108 1 13 . 1 1 66 66 LYS N N 66 114.157 114.157 117.984 -3.827 19479 5109 1 13 . 1 1 66 66 LYS HA H 66 3.999 3.999 4.335 -0.336 19479 5110 1 13 . 1 1 66 66 LYS CA C 66 59.383 59.383 59.263 0.120 19479 5111 1 13 . 1 1 66 66 LYS CB C 66 32.166 32.166 31.660 0.506 19479 5112 1 13 . 1 1 66 66 LYS H H 66 8.551 8.551 8.113 0.438 19479 5113 1 13 . 1 1 67 67 VAL N N 67 119.827 119.827 119.745 0.082 19479 5114 1 13 . 1 1 67 67 VAL HA H 67 3.611 3.611 3.650 -0.039 19479 5115 1 13 . 1 1 67 67 VAL CA C 67 65.655 65.655 64.730 0.925 19479 5116 1 13 . 1 1 67 67 VAL CB C 67 31.425 31.425 31.767 -0.342 19479 5117 1 13 . 1 1 67 67 VAL H H 67 7.190 7.190 7.423 -0.233 19479 5118 1 13 . 1 1 68 68 LEU N N 68 120.867 120.867 123.199 -2.332 19479 5119 1 13 . 1 1 68 68 LEU HA H 68 3.922 3.922 3.845 0.077 19479 5120 1 13 . 1 1 68 68 LEU CA C 68 58.322 58.322 57.987 0.335 19479 5121 1 13 . 1 1 68 68 LEU CB C 68 41.911 41.911 41.186 0.725 19479 5122 1 13 . 1 1 68 68 LEU H H 68 6.936 6.936 7.458 -0.522 19479 5123 1 13 . 1 1 69 69 PHE N N 69 112.682 112.682 117.083 -4.401 19479 5124 1 13 . 1 1 69 69 PHE HA H 69 4.265 4.265 4.679 -0.414 19479 5125 1 13 . 1 1 69 69 PHE CA C 69 60.265 60.265 60.011 0.254 19479 5126 1 13 . 1 1 69 69 PHE CB C 69 38.725 38.725 38.422 0.303 19479 5127 1 13 . 1 1 69 69 PHE H H 69 8.201 8.201 8.518 -0.317 19479 5128 1 13 . 1 1 70 70 ALA N N 70 118.803 118.803 121.745 -2.942 19479 5129 1 13 . 1 1 70 70 ALA HA H 70 4.302 4.302 3.451 0.851 19479 5130 1 13 . 1 1 70 70 ALA CA C 70 54.025 54.025 53.340 0.685 19479 5131 1 13 . 1 1 70 70 ALA CB C 70 19.656 19.656 19.015 0.641 19479 5132 1 13 . 1 1 70 70 ALA H H 70 7.448 7.448 7.054 0.394 19479 5133 1 13 . 1 1 71 71 GLN N N 71 116.280 116.280 115.214 1.066 19479 5134 1 13 . 1 1 71 71 GLN HA H 71 4.848 4.848 4.746 0.102 19479 5135 1 13 . 1 1 71 71 GLN CA C 71 53.120 53.120 52.259 0.861 19479 5136 1 13 . 1 1 71 71 GLN CB C 71 29.026 29.026 29.887 -0.861 19479 5137 1 13 . 1 1 71 71 GLN H H 71 7.561 7.561 8.072 -0.511 19479 5138 1 13 . 1 1 72 72 PRO HA H 72 4.989 4.989 4.711 0.278 19479 5139 1 13 . 1 1 72 72 PRO CA C 72 64.307 64.307 63.044 1.263 19479 5140 1 13 . 1 1 72 72 PRO CB C 72 30.240 30.240 30.091 0.149 19479 5141 1 13 . 1 1 73 73 THR N N 73 109.972 109.972 112.432 -2.460 19479 5142 1 13 . 1 1 73 73 THR HA H 73 5.198 5.198 5.304 -0.106 19479 5143 1 13 . 1 1 73 73 THR CA C 73 59.292 59.292 59.513 -0.221 19479 5144 1 13 . 1 1 73 73 THR CB C 73 72.314 72.314 73.222 -0.907 19479 5145 1 13 . 1 1 73 73 THR H H 73 8.303 8.303 8.052 0.251 19479 5146 1 13 . 1 1 74 74 ILE N N 74 125.105 125.105 123.574 1.531 19479 5147 1 13 . 1 1 74 74 ILE HA H 74 3.061 3.061 3.215 -0.154 19479 5148 1 13 . 1 1 74 74 ILE CA C 74 66.019 66.019 64.148 1.871 19479 5149 1 13 . 1 1 74 74 ILE CB C 74 37.443 37.443 36.605 0.838 19479 5150 1 13 . 1 1 74 74 ILE H H 74 9.908 9.908 9.006 0.902 19479 5151 1 13 . 1 1 75 75 LYS N N 75 119.445 119.445 121.024 -1.579 19479 5152 1 13 . 1 1 75 75 LYS HA H 75 3.797 3.797 3.835 -0.038 19479 5153 1 13 . 1 1 75 75 LYS CA C 75 60.205 60.205 60.176 0.029 19479 5154 1 13 . 1 1 75 75 LYS CB C 75 33.098 33.098 32.093 1.005 19479 5155 1 13 . 1 1 75 75 LYS H H 75 9.024 9.024 7.715 1.309 19479 5156 1 13 . 1 1 76 76 ALA N N 76 119.581 119.581 121.580 -1.999 19479 5157 1 13 . 1 1 76 76 ALA HA H 76 4.216 4.216 4.059 0.157 19479 5158 1 13 . 1 1 76 76 ALA CA C 76 54.809 54.809 54.951 -0.142 19479 5159 1 13 . 1 1 76 76 ALA CB C 76 19.422 19.422 18.161 1.261 19479 5160 1 13 . 1 1 76 76 ALA H H 76 7.621 7.621 8.200 -0.579 19479 5161 1 13 . 1 1 77 77 LEU N N 77 121.833 121.833 118.984 2.849 19479 5162 1 13 . 1 1 77 77 LEU HA H 77 4.097 4.097 3.954 0.143 19479 5163 1 13 . 1 1 77 77 LEU CA C 77 57.612 57.612 57.571 0.041 19479 5164 1 13 . 1 1 77 77 LEU CB C 77 42.192 42.192 41.355 0.837 19479 5165 1 13 . 1 1 77 77 LEU H H 77 8.915 8.915 8.077 0.838 19479 5166 1 13 . 1 1 78 78 ALA N N 78 120.481 120.481 122.205 -1.724 19479 5167 1 13 . 1 1 78 78 ALA HA H 78 3.751 3.751 3.852 -0.101 19479 5168 1 13 . 1 1 78 78 ALA CA C 78 55.117 55.117 55.370 -0.253 19479 5169 1 13 . 1 1 78 78 ALA CB C 78 19.603 19.603 18.096 1.508 19479 5170 1 13 . 1 1 78 78 ALA H H 78 9.393 9.393 8.657 0.736 19479 5171 1 13 . 1 1 79 79 GLN N N 79 117.799 117.799 118.120 -0.321 19479 5172 1 13 . 1 1 79 79 GLN HA H 79 4.069 4.069 4.027 0.042 19479 5173 1 13 . 1 1 79 79 GLN CA C 79 58.790 58.790 58.837 -0.047 19479 5174 1 13 . 1 1 79 79 GLN CB C 79 28.256 28.256 28.934 -0.678 19479 5175 1 13 . 1 1 79 79 GLN H H 79 7.179 7.179 8.090 -0.911 19479 5176 1 13 . 1 1 80 80 TYR N N 80 121.754 121.754 121.762 -0.008 19479 5177 1 13 . 1 1 80 80 TYR HA H 80 3.982 3.982 4.113 -0.131 19479 5178 1 13 . 1 1 80 80 TYR CA C 80 61.965 61.965 61.800 0.165 19479 5179 1 13 . 1 1 80 80 TYR CB C 80 38.227 38.227 38.528 -0.301 19479 5180 1 13 . 1 1 80 80 TYR H H 80 7.716 7.716 8.372 -0.656 19479 5181 1 13 . 1 1 81 81 VAL N N 81 117.864 117.864 119.028 -1.164 19479 5182 1 13 . 1 1 81 81 VAL HA H 81 3.264 3.264 3.443 -0.179 19479 5183 1 13 . 1 1 81 81 VAL CA C 81 66.719 66.719 65.764 0.955 19479 5184 1 13 . 1 1 81 81 VAL CB C 81 32.032 32.032 31.407 0.625 19479 5185 1 13 . 1 1 81 81 VAL H H 81 8.536 8.536 8.543 -0.007 19479 5186 1 13 . 1 1 82 82 ALA N N 82 121.044 121.044 122.124 -1.080 19479 5187 1 13 . 1 1 82 82 ALA HA H 82 3.931 3.931 4.048 -0.117 19479 5188 1 13 . 1 1 82 82 ALA CA C 82 55.130 55.130 55.337 -0.207 19479 5189 1 13 . 1 1 82 82 ALA CB C 82 18.588 18.588 18.286 0.302 19479 5190 1 13 . 1 1 82 82 ALA H H 82 8.420 8.420 8.023 0.397 19479 5191 1 13 . 1 1 83 83 THR N N 83 109.020 109.020 113.001 -3.981 19479 5192 1 13 . 1 1 83 83 THR HA H 83 4.081 4.081 4.064 0.017 19479 5193 1 13 . 1 1 83 83 THR CA C 83 64.388 64.388 65.793 -1.405 19479 5194 1 13 . 1 1 83 83 THR CB C 83 69.529 69.529 68.828 0.701 19479 5195 1 13 . 1 1 83 83 THR H H 83 7.558 7.558 8.132 -0.574 19479 5196 1 13 . 1 1 84 84 ARG N N 84 119.856 119.856 118.761 1.095 19479 5197 1 13 . 1 1 84 84 ARG HA H 84 4.199 4.199 4.477 -0.278 19479 5198 1 13 . 1 1 84 84 ARG CA C 84 56.279 56.279 57.128 -0.849 19479 5199 1 13 . 1 1 84 84 ARG CB C 84 30.866 30.866 30.203 0.662 19479 5200 1 13 . 1 1 84 84 ARG H H 84 7.368 7.368 7.371 -0.003 19479 5201 1 13 . 1 1 85 85 SER N N 85 114.607 114.607 114.789 -0.182 19479 5202 1 13 . 1 1 85 85 SER HA H 85 4.301 4.301 4.402 -0.101 19479 5203 1 13 . 1 1 85 85 SER CA C 85 58.927 58.927 57.018 1.909 19479 5204 1 13 . 1 1 85 85 SER CB C 85 63.778 63.778 63.659 0.119 19479 5205 1 13 . 1 1 85 85 SER H H 85 7.783 7.783 7.580 0.203 19479 5206 1 13 . 1 1 86 86 HIS HA H 86 4.608 4.608 4.378 0.230 19479 5207 1 13 . 1 1 86 86 HIS CA C 86 56.102 56.102 56.589 -0.487 19479 5208 1 13 . 1 1 86 86 HIS CB C 86 30.233 30.233 28.975 1.258 19479 5209 1 13 . 1 1 87 87 HIS N N 87 125.453 125.453 120.923 4.530 19479 5210 1 13 . 1 1 87 87 HIS HA H 87 4.421 4.421 4.572 -0.151 19479 5211 1 13 . 1 1 87 87 HIS CA C 87 57.381 57.381 55.950 1.431 19479 5212 1 13 . 1 1 87 87 HIS CB C 87 30.430 30.430 29.883 0.547 19479 5213 1 13 . 1 1 87 87 HIS H H 87 8.102 8.102 8.116 -0.014 19479 5214 1 14 . 1 1 3 3 VAL HA H 3 4.160 4.160 4.550 -0.390 19479 5215 1 14 . 1 1 3 3 VAL CA C 3 63.130 63.130 60.620 2.510 19479 5216 1 14 . 1 1 3 3 VAL CB C 3 32.605 32.605 33.502 -0.897 19479 5217 1 14 . 1 1 4 4 THR N N 4 117.074 117.074 117.807 -0.733 19479 5218 1 14 . 1 1 4 4 THR HA H 4 4.454 4.454 4.376 0.078 19479 5219 1 14 . 1 1 4 4 THR CA C 4 61.454 61.454 63.311 -1.857 19479 5220 1 14 . 1 1 4 4 THR CB C 4 70.203 70.203 67.925 2.277 19479 5221 1 14 . 1 1 4 4 THR H H 4 8.269 8.269 8.441 -0.172 19479 5222 1 14 . 1 1 5 5 GLU N N 5 122.628 122.628 123.831 -1.203 19479 5223 1 14 . 1 1 5 5 GLU HA H 5 4.305 4.305 4.238 0.067 19479 5224 1 14 . 1 1 5 5 GLU CA C 5 56.689 56.689 57.491 -0.802 19479 5225 1 14 . 1 1 5 5 GLU CB C 5 30.297 30.297 30.174 0.123 19479 5226 1 14 . 1 1 5 5 GLU H H 5 8.465 8.465 8.002 0.463 19479 5227 1 14 . 1 1 6 6 ALA N N 6 124.915 124.915 121.540 3.375 19479 5228 1 14 . 1 1 6 6 ALA HA H 6 4.301 4.301 4.400 -0.099 19479 5229 1 14 . 1 1 6 6 ALA CA C 6 52.392 52.392 51.688 0.704 19479 5230 1 14 . 1 1 6 6 ALA CB C 6 19.520 19.520 19.718 -0.198 19479 5231 1 14 . 1 1 6 6 ALA H H 6 8.333 8.333 7.405 0.928 19479 5232 1 14 . 1 1 7 7 GLN N N 7 120.476 120.476 118.650 1.826 19479 5233 1 14 . 1 1 7 7 GLN HA H 7 4.275 4.275 4.482 -0.207 19479 5234 1 14 . 1 1 7 7 GLN CA C 7 55.512 55.512 54.571 0.941 19479 5235 1 14 . 1 1 7 7 GLN CB C 7 29.495 29.495 30.782 -1.287 19479 5236 1 14 . 1 1 7 7 GLN H H 7 8.340 8.340 8.338 0.002 19479 5237 1 14 . 1 1 8 8 TYR N N 8 124.499 124.499 124.886 -0.387 19479 5238 1 14 . 1 1 8 8 TYR HA H 8 4.386 4.386 4.650 -0.264 19479 5239 1 14 . 1 1 8 8 TYR CA C 8 60.233 60.233 58.876 1.357 19479 5240 1 14 . 1 1 8 8 TYR CB C 8 38.173 38.173 38.339 -0.166 19479 5241 1 14 . 1 1 8 8 TYR H H 8 8.506 8.506 8.540 -0.034 19479 5242 1 14 . 1 1 9 9 VAL N N 9 130.011 130.011 129.861 0.150 19479 5243 1 14 . 1 1 9 9 VAL HA H 9 3.748 3.748 3.956 -0.208 19479 5244 1 14 . 1 1 9 9 VAL CA C 9 61.317 61.317 60.735 0.582 19479 5245 1 14 . 1 1 9 9 VAL CB C 9 34.738 34.738 35.303 -0.565 19479 5246 1 14 . 1 1 9 9 VAL H H 9 6.756 6.756 8.597 -1.841 19479 5247 1 14 . 1 1 10 10 ALA N N 10 130.264 130.264 131.311 -1.047 19479 5248 1 14 . 1 1 10 10 ALA HA H 10 4.172 4.172 4.467 -0.295 19479 5249 1 14 . 1 1 10 10 ALA CA C 10 50.602 50.602 50.971 -0.369 19479 5250 1 14 . 1 1 10 10 ALA CB C 10 17.676 17.676 17.887 -0.211 19479 5251 1 14 . 1 1 10 10 ALA H H 10 8.125 8.125 8.087 0.038 19479 5252 1 14 . 1 1 11 11 PRO HA H 11 4.186 4.186 4.277 -0.091 19479 5253 1 14 . 1 1 11 11 PRO CA C 11 63.808 63.808 63.164 0.644 19479 5254 1 14 . 1 1 11 11 PRO CB C 11 32.674 32.674 32.052 0.622 19479 5255 1 14 . 1 1 12 12 THR N N 12 113.591 113.591 109.988 3.603 19479 5256 1 14 . 1 1 12 12 THR HA H 12 4.469 4.469 4.370 0.099 19479 5257 1 14 . 1 1 12 12 THR CA C 12 61.950 61.950 61.136 0.814 19479 5258 1 14 . 1 1 12 12 THR CB C 12 71.622 71.622 69.916 1.706 19479 5259 1 14 . 1 1 12 12 THR H H 12 9.701 9.701 8.876 0.825 19479 5260 1 14 . 1 1 13 13 ASN N N 13 116.088 116.088 120.109 -4.021 19479 5261 1 14 . 1 1 13 13 ASN HA H 13 4.771 4.771 4.880 -0.109 19479 5262 1 14 . 1 1 13 13 ASN CA C 13 51.947 51.947 51.750 0.197 19479 5263 1 14 . 1 1 13 13 ASN CB C 13 39.736 39.736 41.032 -1.296 19479 5264 1 14 . 1 1 13 13 ASN H H 13 7.423 7.423 7.664 -0.241 19479 5265 1 14 . 1 1 14 14 ALA HA H 14 4.136 4.136 4.064 0.072 19479 5266 1 14 . 1 1 14 14 ALA CA C 14 55.484 55.484 54.883 0.601 19479 5267 1 14 . 1 1 14 14 ALA CB C 14 19.020 19.020 18.424 0.596 19479 5268 1 14 . 1 1 15 15 VAL N N 15 120.332 120.332 118.236 2.096 19479 5269 1 14 . 1 1 15 15 VAL HA H 15 4.191 4.191 3.672 0.519 19479 5270 1 14 . 1 1 15 15 VAL CA C 15 65.158 65.158 66.370 -1.212 19479 5271 1 14 . 1 1 15 15 VAL CB C 15 31.513 31.513 31.555 -0.042 19479 5272 1 14 . 1 1 15 15 VAL H H 15 7.938 7.938 8.238 -0.300 19479 5273 1 14 . 1 1 16 16 GLU N N 16 118.751 118.751 120.364 -1.613 19479 5274 1 14 . 1 1 16 16 GLU HA H 16 3.550 3.550 3.894 -0.344 19479 5275 1 14 . 1 1 16 16 GLU CA C 16 59.495 59.495 59.412 0.083 19479 5276 1 14 . 1 1 16 16 GLU CB C 16 30.851 30.851 29.112 1.739 19479 5277 1 14 . 1 1 16 16 GLU H H 16 8.470 8.470 7.804 0.666 19479 5278 1 14 . 1 1 17 17 SER N N 17 112.637 112.637 115.301 -2.664 19479 5279 1 14 . 1 1 17 17 SER HA H 17 3.968 3.968 4.093 -0.125 19479 5280 1 14 . 1 1 17 17 SER CA C 17 62.523 62.523 62.035 0.488 19479 5281 1 14 . 1 1 17 17 SER CB C 17 62.669 62.669 62.983 -0.314 19479 5282 1 14 . 1 1 17 17 SER H H 17 8.386 8.386 8.156 0.230 19479 5283 1 14 . 1 1 18 18 LYS N N 18 124.394 124.394 121.838 2.556 19479 5284 1 14 . 1 1 18 18 LYS HA H 18 4.287 4.287 4.116 0.171 19479 5285 1 14 . 1 1 18 18 LYS CA C 18 57.421 57.421 59.181 -1.760 19479 5286 1 14 . 1 1 18 18 LYS CB C 18 30.018 30.018 32.449 -2.431 19479 5287 1 14 . 1 1 18 18 LYS H H 18 8.104 8.104 8.084 0.020 19479 5288 1 14 . 1 1 19 19 LEU N N 19 118.589 118.589 119.206 -0.617 19479 5289 1 14 . 1 1 19 19 LEU HA H 19 4.027 4.027 4.107 -0.080 19479 5290 1 14 . 1 1 19 19 LEU CA C 19 58.178 58.178 58.164 0.014 19479 5291 1 14 . 1 1 19 19 LEU CB C 19 42.135 42.135 41.671 0.464 19479 5292 1 14 . 1 1 19 19 LEU H H 19 8.742 8.742 8.117 0.625 19479 5293 1 14 . 1 1 20 20 ALA N N 20 121.037 121.037 121.453 -0.416 19479 5294 1 14 . 1 1 20 20 ALA HA H 20 3.775 3.775 3.564 0.211 19479 5295 1 14 . 1 1 20 20 ALA CA C 20 56.194 56.194 55.009 1.185 19479 5296 1 14 . 1 1 20 20 ALA CB C 20 16.862 16.862 17.936 -1.074 19479 5297 1 14 . 1 1 20 20 ALA H H 20 8.199 8.199 8.178 0.021 19479 5298 1 14 . 1 1 21 21 GLU N N 21 118.948 118.948 119.641 -0.693 19479 5299 1 14 . 1 1 21 21 GLU HA H 21 4.129 4.129 4.060 0.069 19479 5300 1 14 . 1 1 21 21 GLU CA C 21 59.788 59.788 59.394 0.394 19479 5301 1 14 . 1 1 21 21 GLU CB C 21 29.887 29.887 29.643 0.244 19479 5302 1 14 . 1 1 21 21 GLU H H 21 7.716 7.716 7.694 0.022 19479 5303 1 14 . 1 1 22 22 ILE N N 22 120.355 120.355 119.841 0.514 19479 5304 1 14 . 1 1 22 22 ILE HA H 22 3.780 3.780 3.831 -0.051 19479 5305 1 14 . 1 1 22 22 ILE CA C 22 65.850 65.850 65.453 0.397 19479 5306 1 14 . 1 1 22 22 ILE CB C 22 38.677 38.677 37.861 0.816 19479 5307 1 14 . 1 1 22 22 ILE H H 22 8.409 8.409 7.444 0.965 19479 5308 1 14 . 1 1 23 23 TRP N N 23 120.272 120.272 119.731 0.541 19479 5309 1 14 . 1 1 23 23 TRP HA H 23 4.191 4.191 4.416 -0.225 19479 5310 1 14 . 1 1 23 23 TRP CA C 23 61.819 61.819 60.224 1.595 19479 5311 1 14 . 1 1 23 23 TRP CB C 23 29.177 29.177 28.567 0.610 19479 5312 1 14 . 1 1 23 23 TRP H H 23 9.551 9.551 7.778 1.773 19479 5313 1 14 . 1 1 24 24 GLU N N 24 119.281 119.281 120.124 -0.843 19479 5314 1 14 . 1 1 24 24 GLU HA H 24 4.210 4.210 4.084 0.126 19479 5315 1 14 . 1 1 24 24 GLU CA C 24 60.695 60.695 59.866 0.829 19479 5316 1 14 . 1 1 24 24 GLU CB C 24 29.397 29.397 29.420 -0.023 19479 5317 1 14 . 1 1 24 24 GLU H H 24 9.039 9.039 8.432 0.607 19479 5318 1 14 . 1 1 25 25 ARG N N 25 119.408 119.408 118.559 0.849 19479 5319 1 14 . 1 1 25 25 ARG HA H 25 4.205 4.205 4.131 0.074 19479 5320 1 14 . 1 1 25 25 ARG CA C 25 59.015 59.015 58.828 0.187 19479 5321 1 14 . 1 1 25 25 ARG CB C 25 30.246 30.246 30.366 -0.120 19479 5322 1 14 . 1 1 25 25 ARG H H 25 8.060 8.060 8.036 0.024 19479 5323 1 14 . 1 1 26 26 VAL N N 26 119.220 119.220 118.544 0.676 19479 5324 1 14 . 1 1 26 26 VAL HA H 26 3.782 3.782 3.883 -0.101 19479 5325 1 14 . 1 1 26 26 VAL CA C 26 65.845 65.845 65.393 0.452 19479 5326 1 14 . 1 1 26 26 VAL CB C 26 32.717 32.717 31.994 0.723 19479 5327 1 14 . 1 1 26 26 VAL H H 26 8.475 8.475 7.708 0.767 19479 5328 1 14 . 1 1 27 27 LEU N N 27 116.095 116.095 115.980 0.115 19479 5329 1 14 . 1 1 27 27 LEU HA H 27 4.018 4.018 4.047 -0.029 19479 5330 1 14 . 1 1 27 27 LEU CA C 27 55.757 55.757 55.706 0.051 19479 5331 1 14 . 1 1 27 27 LEU CB C 27 42.504 42.504 42.420 0.084 19479 5332 1 14 . 1 1 27 27 LEU H H 27 9.005 9.005 8.159 0.846 19479 5333 1 14 . 1 1 28 28 GLY N N 28 108.722 108.722 107.214 1.508 19479 5334 1 14 . 1 1 28 28 GLY CA C 28 46.721 46.721 45.396 1.325 19479 5335 1 14 . 1 1 28 28 GLY H H 28 8.056 8.056 8.003 0.053 19479 5336 1 14 . 1 1 29 29 VAL N N 29 115.103 115.103 114.622 0.481 19479 5337 1 14 . 1 1 29 29 VAL HA H 29 4.457 4.457 4.808 -0.351 19479 5338 1 14 . 1 1 29 29 VAL CA C 29 59.845 59.845 59.196 0.649 19479 5339 1 14 . 1 1 29 29 VAL CB C 29 35.477 35.477 35.036 0.441 19479 5340 1 14 . 1 1 29 29 VAL H H 29 7.044 7.044 7.672 -0.628 19479 5341 1 14 . 1 1 30 30 SER N N 30 115.417 115.417 115.036 0.381 19479 5342 1 14 . 1 1 30 30 SER HA H 30 4.683 4.683 4.781 -0.098 19479 5343 1 14 . 1 1 30 30 SER CA C 30 56.970 56.970 58.296 -1.326 19479 5344 1 14 . 1 1 30 30 SER CB C 30 65.294 65.294 63.959 1.335 19479 5345 1 14 . 1 1 30 30 SER H H 30 8.151 8.151 8.173 -0.022 19479 5346 1 14 . 1 1 31 31 GLY N N 31 112.008 112.008 115.036 -3.028 19479 5347 1 14 . 1 1 31 31 GLY CA C 31 46.545 46.545 44.889 1.656 19479 5348 1 14 . 1 1 31 31 GLY H H 31 8.573 8.573 9.463 -0.890 19479 5349 1 14 . 1 1 32 32 ILE N N 32 121.204 121.204 122.310 -1.106 19479 5350 1 14 . 1 1 32 32 ILE HA H 32 3.898 3.898 4.059 -0.161 19479 5351 1 14 . 1 1 32 32 ILE CA C 32 63.126 63.126 60.334 2.792 19479 5352 1 14 . 1 1 32 32 ILE CB C 32 38.993 38.993 37.188 1.805 19479 5353 1 14 . 1 1 32 32 ILE H H 32 8.241 8.241 7.637 0.604 19479 5354 1 14 . 1 1 33 33 GLY N N 33 115.038 115.038 113.857 1.181 19479 5355 1 14 . 1 1 33 33 GLY CA C 33 44.330 44.330 43.915 0.415 19479 5356 1 14 . 1 1 33 33 GLY H H 33 8.760 8.760 8.496 0.264 19479 5357 1 14 . 1 1 34 34 ILE N N 34 110.067 110.067 116.921 -6.854 19479 5358 1 14 . 1 1 34 34 ILE HA H 34 4.017 4.017 3.967 0.050 19479 5359 1 14 . 1 1 34 34 ILE CA C 34 64.500 64.500 64.222 0.278 19479 5360 1 14 . 1 1 34 34 ILE CB C 34 37.731 37.731 38.279 -0.548 19479 5361 1 14 . 1 1 34 34 ILE H H 34 8.566 8.566 8.593 -0.027 19479 5362 1 14 . 1 1 35 35 LEU N N 35 117.052 117.052 114.728 2.324 19479 5363 1 14 . 1 1 35 35 LEU HA H 35 4.692 4.692 4.580 0.112 19479 5364 1 14 . 1 1 35 35 LEU CA C 35 53.247 53.247 53.803 -0.556 19479 5365 1 14 . 1 1 35 35 LEU CB C 35 42.094 42.094 41.354 0.740 19479 5366 1 14 . 1 1 35 35 LEU H H 35 8.191 8.191 7.868 0.323 19479 5367 1 14 . 1 1 36 36 ASP N N 36 121.535 121.535 120.857 0.678 19479 5368 1 14 . 1 1 36 36 ASP HA H 36 4.387 4.387 4.540 -0.153 19479 5369 1 14 . 1 1 36 36 ASP CA C 36 55.244 55.244 56.115 -0.871 19479 5370 1 14 . 1 1 36 36 ASP CB C 36 41.170 41.170 41.028 0.142 19479 5371 1 14 . 1 1 36 36 ASP H H 36 7.098 7.098 7.901 -0.803 19479 5372 1 14 . 1 1 37 37 ASN N N 37 123.266 123.266 123.541 -0.275 19479 5373 1 14 . 1 1 37 37 ASN HA H 37 4.954 4.954 5.306 -0.352 19479 5374 1 14 . 1 1 37 37 ASN CA C 37 53.319 53.319 53.273 0.046 19479 5375 1 14 . 1 1 37 37 ASN CB C 37 39.610 39.610 39.661 -0.051 19479 5376 1 14 . 1 1 37 37 ASN H H 37 9.116 9.116 8.772 0.344 19479 5377 1 14 . 1 1 38 38 PHE N N 38 126.469 126.469 127.423 -0.954 19479 5378 1 14 . 1 1 38 38 PHE HA H 38 3.393 3.393 3.777 -0.384 19479 5379 1 14 . 1 1 38 38 PHE CA C 38 61.965 61.965 62.732 -0.767 19479 5380 1 14 . 1 1 38 38 PHE CB C 38 40.851 40.851 38.739 2.112 19479 5381 1 14 . 1 1 38 38 PHE H H 38 9.344 9.344 8.631 0.713 19479 5382 1 14 . 1 1 39 39 PHE N N 39 112.189 112.189 114.306 -2.117 19479 5383 1 14 . 1 1 39 39 PHE HA H 39 3.933 3.933 4.559 -0.626 19479 5384 1 14 . 1 1 39 39 PHE CA C 39 59.682 59.682 60.517 -0.835 19479 5385 1 14 . 1 1 39 39 PHE CB C 39 38.040 38.040 38.681 -0.641 19479 5386 1 14 . 1 1 39 39 PHE H H 39 8.052 8.052 8.238 -0.186 19479 5387 1 14 . 1 1 40 40 GLN N N 40 119.928 119.928 119.147 0.781 19479 5388 1 14 . 1 1 40 40 GLN HA H 40 4.392 4.392 4.203 0.189 19479 5389 1 14 . 1 1 40 40 GLN CA C 40 57.191 57.191 57.909 -0.718 19479 5390 1 14 . 1 1 40 40 GLN CB C 40 29.466 29.466 28.982 0.484 19479 5391 1 14 . 1 1 40 40 GLN H H 40 8.297 8.297 7.868 0.429 19479 5392 1 14 . 1 1 41 41 ILE N N 41 110.997 110.997 117.466 -6.469 19479 5393 1 14 . 1 1 41 41 ILE HA H 41 4.493 4.493 3.865 0.628 19479 5394 1 14 . 1 1 41 41 ILE CA C 41 61.348 61.348 62.931 -1.583 19479 5395 1 14 . 1 1 41 41 ILE CB C 41 37.882 37.882 38.469 -0.588 19479 5396 1 14 . 1 1 41 41 ILE H H 41 7.133 7.133 8.056 -0.923 19479 5397 1 14 . 1 1 42 42 GLY N N 42 106.355 106.355 105.335 1.020 19479 5398 1 14 . 1 1 42 42 GLY CA C 42 44.679 44.679 44.365 0.314 19479 5399 1 14 . 1 1 42 42 GLY H H 42 7.433 7.433 7.408 0.025 19479 5400 1 14 . 1 1 43 43 GLY N N 43 107.808 107.808 109.167 -1.359 19479 5401 1 14 . 1 1 43 43 GLY CA C 43 45.389 45.389 44.139 1.250 19479 5402 1 14 . 1 1 43 43 GLY H H 43 7.826 7.826 7.607 0.219 19479 5403 1 14 . 1 1 44 44 HIS N N 44 112.337 112.337 117.458 -5.121 19479 5404 1 14 . 1 1 44 44 HIS HA H 44 4.979 4.979 5.014 -0.035 19479 5405 1 14 . 1 1 44 44 HIS CA C 44 54.773 54.773 54.735 0.038 19479 5406 1 14 . 1 1 44 44 HIS CB C 44 31.867 31.867 30.985 0.882 19479 5407 1 14 . 1 1 44 44 HIS H H 44 6.369 6.369 7.748 -1.379 19479 5408 1 14 . 1 1 45 45 ALA HA H 45 4.264 4.264 4.162 0.102 19479 5409 1 14 . 1 1 45 45 ALA CA C 45 57.581 57.581 55.584 1.997 19479 5410 1 14 . 1 1 45 45 ALA CB C 45 18.718 18.718 18.370 0.348 19479 5411 1 14 . 1 1 46 46 LEU N N 46 117.791 117.791 117.996 -0.205 19479 5412 1 14 . 1 1 46 46 LEU HA H 46 4.420 4.420 4.100 0.320 19479 5413 1 14 . 1 1 46 46 LEU CA C 46 58.559 58.559 58.162 0.397 19479 5414 1 14 . 1 1 46 46 LEU CB C 46 41.652 41.652 42.044 -0.392 19479 5415 1 14 . 1 1 46 46 LEU H H 46 8.807 8.807 8.334 0.473 19479 5416 1 14 . 1 1 47 47 LYS N N 47 118.822 118.822 118.407 0.415 19479 5417 1 14 . 1 1 47 47 LYS HA H 47 4.200 4.200 4.026 0.174 19479 5418 1 14 . 1 1 47 47 LYS CA C 47 58.352 58.352 57.710 0.642 19479 5419 1 14 . 1 1 47 47 LYS CB C 47 32.994 32.994 31.301 1.693 19479 5420 1 14 . 1 1 47 47 LYS H H 47 7.589 7.589 7.409 0.180 19479 5421 1 14 . 1 1 48 48 ALA N N 48 122.769 122.769 122.371 0.398 19479 5422 1 14 . 1 1 48 48 ALA HA H 48 3.575 3.575 3.536 0.039 19479 5423 1 14 . 1 1 48 48 ALA CA C 48 55.102 55.102 54.931 0.171 19479 5424 1 14 . 1 1 48 48 ALA CB C 48 18.239 18.239 17.965 0.274 19479 5425 1 14 . 1 1 48 48 ALA H H 48 8.736 8.736 8.322 0.414 19479 5426 1 14 . 1 1 49 49 MET N N 49 116.936 116.936 116.313 0.623 19479 5427 1 14 . 1 1 49 49 MET HA H 49 4.169 4.169 4.011 0.158 19479 5428 1 14 . 1 1 49 49 MET CA C 49 58.869 58.869 58.945 -0.076 19479 5429 1 14 . 1 1 49 49 MET CB C 49 32.511 32.511 32.049 0.462 19479 5430 1 14 . 1 1 49 49 MET H H 49 8.000 8.000 7.637 0.363 19479 5431 1 14 . 1 1 50 50 ALA N N 50 123.686 123.686 122.653 1.033 19479 5432 1 14 . 1 1 50 50 ALA HA H 50 4.401 4.401 4.073 0.328 19479 5433 1 14 . 1 1 50 50 ALA CA C 50 55.265 55.265 54.996 0.269 19479 5434 1 14 . 1 1 50 50 ALA CB C 50 18.320 18.320 17.973 0.347 19479 5435 1 14 . 1 1 50 50 ALA H H 50 7.389 7.389 7.737 -0.348 19479 5436 1 14 . 1 1 51 51 VAL N N 51 118.885 118.885 119.098 -0.213 19479 5437 1 14 . 1 1 51 51 VAL HA H 51 3.437 3.437 3.624 -0.187 19479 5438 1 14 . 1 1 51 51 VAL CA C 51 66.975 66.975 65.775 1.200 19479 5439 1 14 . 1 1 51 51 VAL CB C 51 31.268 31.268 30.735 0.533 19479 5440 1 14 . 1 1 51 51 VAL H H 51 7.981 7.981 7.417 0.564 19479 5441 1 14 . 1 1 52 52 ALA N N 52 121.555 121.555 122.013 -0.458 19479 5442 1 14 . 1 1 52 52 ALA HA H 52 3.990 3.990 3.859 0.131 19479 5443 1 14 . 1 1 52 52 ALA CA C 52 56.056 56.056 55.094 0.962 19479 5444 1 14 . 1 1 52 52 ALA CB C 52 18.099 18.099 18.114 -0.015 19479 5445 1 14 . 1 1 52 52 ALA H H 52 8.499 8.499 7.520 0.979 19479 5446 1 14 . 1 1 53 53 ALA N N 53 121.958 121.958 121.576 0.382 19479 5447 1 14 . 1 1 53 53 ALA HA H 53 4.346 4.346 3.921 0.425 19479 5448 1 14 . 1 1 53 53 ALA CA C 53 55.454 55.454 55.187 0.267 19479 5449 1 14 . 1 1 53 53 ALA CB C 53 18.079 18.079 18.410 -0.331 19479 5450 1 14 . 1 1 53 53 ALA H H 53 8.238 8.238 8.031 0.207 19479 5451 1 14 . 1 1 54 54 GLN N N 54 118.520 118.520 117.549 0.971 19479 5452 1 14 . 1 1 54 54 GLN HA H 54 4.157 4.157 4.123 0.034 19479 5453 1 14 . 1 1 54 54 GLN CA C 54 59.303 59.303 58.575 0.728 19479 5454 1 14 . 1 1 54 54 GLN CB C 54 28.684 28.684 28.899 -0.215 19479 5455 1 14 . 1 1 54 54 GLN H H 54 7.914 7.914 7.721 0.193 19479 5456 1 14 . 1 1 55 55 VAL N N 55 121.643 121.643 121.485 0.158 19479 5457 1 14 . 1 1 55 55 VAL HA H 55 3.673 3.673 3.923 -0.250 19479 5458 1 14 . 1 1 55 55 VAL CA C 55 67.521 67.521 66.663 0.858 19479 5459 1 14 . 1 1 55 55 VAL CB C 55 31.569 31.569 31.329 0.240 19479 5460 1 14 . 1 1 55 55 VAL H H 55 8.915 8.915 8.040 0.875 19479 5461 1 14 . 1 1 56 56 HIS N N 56 120.993 120.993 119.951 1.042 19479 5462 1 14 . 1 1 56 56 HIS HA H 56 4.314 4.314 4.620 -0.306 19479 5463 1 14 . 1 1 56 56 HIS CA C 56 60.994 60.994 59.008 1.986 19479 5464 1 14 . 1 1 56 56 HIS CB C 56 30.226 30.226 29.910 0.316 19479 5465 1 14 . 1 1 56 56 HIS H H 56 8.328 8.328 8.694 -0.366 19479 5466 1 14 . 1 1 57 57 ARG N N 57 119.241 119.241 117.568 1.673 19479 5467 1 14 . 1 1 57 57 ARG HA H 57 3.963 3.963 4.250 -0.287 19479 5468 1 14 . 1 1 57 57 ARG CA C 57 59.269 59.269 58.694 0.575 19479 5469 1 14 . 1 1 57 57 ARG CB C 57 30.220 30.220 29.974 0.246 19479 5470 1 14 . 1 1 57 57 ARG H H 57 7.849 7.849 7.731 0.118 19479 5471 1 14 . 1 1 58 58 GLU N N 58 116.079 116.079 118.819 -2.740 19479 5472 1 14 . 1 1 58 58 GLU HA H 58 3.944 3.944 4.271 -0.327 19479 5473 1 14 . 1 1 58 58 GLU CA C 58 58.351 58.351 57.973 0.378 19479 5474 1 14 . 1 1 58 58 GLU CB C 58 30.571 30.571 30.388 0.183 19479 5475 1 14 . 1 1 58 58 GLU H H 58 7.874 7.874 7.938 -0.064 19479 5476 1 14 . 1 1 59 59 TYR N N 59 112.274 112.274 116.926 -4.652 19479 5477 1 14 . 1 1 59 59 TYR HA H 59 4.686 4.686 4.684 0.002 19479 5478 1 14 . 1 1 59 59 TYR CA C 59 58.616 58.616 57.577 1.039 19479 5479 1 14 . 1 1 59 59 TYR CB C 59 40.589 40.589 38.475 2.114 19479 5480 1 14 . 1 1 59 59 TYR H H 59 8.303 8.303 8.514 -0.211 19479 5481 1 14 . 1 1 60 60 GLN N N 60 115.629 115.629 114.639 0.990 19479 5482 1 14 . 1 1 60 60 GLN HA H 60 3.481 3.481 4.292 -0.811 19479 5483 1 14 . 1 1 60 60 GLN CA C 60 57.418 57.418 56.816 0.602 19479 5484 1 14 . 1 1 60 60 GLN CB C 60 25.628 25.628 26.355 -0.727 19479 5485 1 14 . 1 1 60 60 GLN H H 60 8.382 8.382 8.113 0.269 19479 5486 1 14 . 1 1 61 61 VAL N N 61 114.547 114.547 117.250 -2.703 19479 5487 1 14 . 1 1 61 61 VAL HA H 61 4.347 4.347 4.237 0.110 19479 5488 1 14 . 1 1 61 61 VAL CA C 61 60.118 60.118 60.382 -0.264 19479 5489 1 14 . 1 1 61 61 VAL CB C 61 35.547 35.547 35.204 0.343 19479 5490 1 14 . 1 1 61 61 VAL H H 61 6.532 6.532 7.503 -0.971 19479 5491 1 14 . 1 1 62 62 GLU N N 62 125.938 125.938 127.912 -1.974 19479 5492 1 14 . 1 1 62 62 GLU HA H 62 4.270 4.270 3.759 0.511 19479 5493 1 14 . 1 1 62 62 GLU CA C 62 55.857 55.857 56.159 -0.302 19479 5494 1 14 . 1 1 62 62 GLU CB C 62 30.334 30.334 29.929 0.405 19479 5495 1 14 . 1 1 62 62 GLU H H 62 8.741 8.741 8.417 0.324 19479 5496 1 14 . 1 1 63 63 LEU N N 63 127.837 127.837 129.751 -1.914 19479 5497 1 14 . 1 1 63 63 LEU HA H 63 4.845 4.845 4.795 0.050 19479 5498 1 14 . 1 1 63 63 LEU CA C 63 50.751 50.751 51.181 -0.430 19479 5499 1 14 . 1 1 63 63 LEU CB C 63 43.313 43.313 43.064 0.249 19479 5500 1 14 . 1 1 63 63 LEU H H 63 8.939 8.939 8.365 0.574 19479 5501 1 14 . 1 1 64 64 PRO HA H 64 4.446 4.446 4.503 -0.057 19479 5502 1 14 . 1 1 64 64 PRO CA C 64 62.060 62.060 62.085 -0.025 19479 5503 1 14 . 1 1 64 64 PRO CB C 64 32.346 32.346 32.726 -0.380 19479 5504 1 14 . 1 1 65 65 LEU N N 65 126.325 126.325 123.825 2.500 19479 5505 1 14 . 1 1 65 65 LEU HA H 65 3.772 3.772 3.884 -0.112 19479 5506 1 14 . 1 1 65 65 LEU CA C 65 58.426 58.426 58.092 0.334 19479 5507 1 14 . 1 1 65 65 LEU CB C 65 40.688 40.688 42.063 -1.375 19479 5508 1 14 . 1 1 65 65 LEU H H 65 8.746 8.746 8.711 0.035 19479 5509 1 14 . 1 1 66 66 LYS N N 66 114.157 114.157 118.401 -4.244 19479 5510 1 14 . 1 1 66 66 LYS HA H 66 3.999 3.999 4.307 -0.308 19479 5511 1 14 . 1 1 66 66 LYS CA C 66 59.383 59.383 59.712 -0.329 19479 5512 1 14 . 1 1 66 66 LYS CB C 66 32.166 32.166 32.074 0.092 19479 5513 1 14 . 1 1 66 66 LYS H H 66 8.551 8.551 8.470 0.081 19479 5514 1 14 . 1 1 67 67 VAL N N 67 119.827 119.827 119.113 0.714 19479 5515 1 14 . 1 1 67 67 VAL HA H 67 3.611 3.611 3.655 -0.044 19479 5516 1 14 . 1 1 67 67 VAL CA C 67 65.655 65.655 65.108 0.547 19479 5517 1 14 . 1 1 67 67 VAL CB C 67 31.425 31.425 31.178 0.247 19479 5518 1 14 . 1 1 67 67 VAL H H 67 7.190 7.190 7.801 -0.611 19479 5519 1 14 . 1 1 68 68 LEU N N 68 120.867 120.867 122.817 -1.950 19479 5520 1 14 . 1 1 68 68 LEU HA H 68 3.922 3.922 3.873 0.049 19479 5521 1 14 . 1 1 68 68 LEU CA C 68 58.322 58.322 57.795 0.527 19479 5522 1 14 . 1 1 68 68 LEU CB C 68 41.911 41.911 40.803 1.108 19479 5523 1 14 . 1 1 68 68 LEU H H 68 6.936 6.936 7.248 -0.312 19479 5524 1 14 . 1 1 69 69 PHE N N 69 112.682 112.682 117.462 -4.780 19479 5525 1 14 . 1 1 69 69 PHE HA H 69 4.265 4.265 4.656 -0.391 19479 5526 1 14 . 1 1 69 69 PHE CA C 69 60.265 60.265 60.034 0.231 19479 5527 1 14 . 1 1 69 69 PHE CB C 69 38.725 38.725 38.530 0.195 19479 5528 1 14 . 1 1 69 69 PHE H H 69 8.201 8.201 8.519 -0.318 19479 5529 1 14 . 1 1 70 70 ALA N N 70 118.803 118.803 121.383 -2.580 19479 5530 1 14 . 1 1 70 70 ALA HA H 70 4.302 4.302 3.543 0.759 19479 5531 1 14 . 1 1 70 70 ALA CA C 70 54.025 54.025 53.245 0.780 19479 5532 1 14 . 1 1 70 70 ALA CB C 70 19.656 19.656 19.019 0.637 19479 5533 1 14 . 1 1 70 70 ALA H H 70 7.448 7.448 6.882 0.566 19479 5534 1 14 . 1 1 71 71 GLN N N 71 116.280 116.280 115.516 0.764 19479 5535 1 14 . 1 1 71 71 GLN HA H 71 4.848 4.848 4.748 0.100 19479 5536 1 14 . 1 1 71 71 GLN CA C 71 53.120 53.120 52.331 0.789 19479 5537 1 14 . 1 1 71 71 GLN CB C 71 29.026 29.026 29.898 -0.873 19479 5538 1 14 . 1 1 71 71 GLN H H 71 7.561 7.561 7.829 -0.268 19479 5539 1 14 . 1 1 72 72 PRO HA H 72 4.989 4.989 4.674 0.315 19479 5540 1 14 . 1 1 72 72 PRO CA C 72 64.307 64.307 63.066 1.241 19479 5541 1 14 . 1 1 72 72 PRO CB C 72 30.240 30.240 30.593 -0.353 19479 5542 1 14 . 1 1 73 73 THR N N 73 109.972 109.972 112.608 -2.636 19479 5543 1 14 . 1 1 73 73 THR HA H 73 5.198 5.198 5.268 -0.070 19479 5544 1 14 . 1 1 73 73 THR CA C 73 59.292 59.292 59.739 -0.447 19479 5545 1 14 . 1 1 73 73 THR CB C 73 72.314 72.314 73.079 -0.765 19479 5546 1 14 . 1 1 73 73 THR H H 73 8.303 8.303 8.227 0.076 19479 5547 1 14 . 1 1 74 74 ILE N N 74 125.105 125.105 123.916 1.189 19479 5548 1 14 . 1 1 74 74 ILE HA H 74 3.061 3.061 3.384 -0.323 19479 5549 1 14 . 1 1 74 74 ILE CA C 74 66.019 66.019 63.712 2.307 19479 5550 1 14 . 1 1 74 74 ILE CB C 74 37.443 37.443 36.903 0.540 19479 5551 1 14 . 1 1 74 74 ILE H H 74 9.908 9.908 9.057 0.851 19479 5552 1 14 . 1 1 75 75 LYS N N 75 119.445 119.445 121.249 -1.804 19479 5553 1 14 . 1 1 75 75 LYS HA H 75 3.797 3.797 3.882 -0.085 19479 5554 1 14 . 1 1 75 75 LYS CA C 75 60.205 60.205 60.223 -0.018 19479 5555 1 14 . 1 1 75 75 LYS CB C 75 33.098 33.098 32.167 0.931 19479 5556 1 14 . 1 1 75 75 LYS H H 75 9.024 9.024 8.292 0.732 19479 5557 1 14 . 1 1 76 76 ALA N N 76 119.581 119.581 121.108 -1.527 19479 5558 1 14 . 1 1 76 76 ALA HA H 76 4.216 4.216 4.154 0.062 19479 5559 1 14 . 1 1 76 76 ALA CA C 76 54.809 54.809 54.950 -0.142 19479 5560 1 14 . 1 1 76 76 ALA CB C 76 19.422 19.422 18.051 1.371 19479 5561 1 14 . 1 1 76 76 ALA H H 76 7.621 7.621 8.225 -0.604 19479 5562 1 14 . 1 1 77 77 LEU N N 77 121.833 121.833 118.844 2.989 19479 5563 1 14 . 1 1 77 77 LEU HA H 77 4.097 4.097 4.019 0.078 19479 5564 1 14 . 1 1 77 77 LEU CA C 77 57.612 57.612 57.451 0.161 19479 5565 1 14 . 1 1 77 77 LEU CB C 77 42.192 42.192 41.408 0.784 19479 5566 1 14 . 1 1 77 77 LEU H H 77 8.915 8.915 7.824 1.091 19479 5567 1 14 . 1 1 78 78 ALA N N 78 120.481 120.481 122.351 -1.870 19479 5568 1 14 . 1 1 78 78 ALA HA H 78 3.751 3.751 3.920 -0.169 19479 5569 1 14 . 1 1 78 78 ALA CA C 78 55.117 55.117 55.498 -0.381 19479 5570 1 14 . 1 1 78 78 ALA CB C 78 19.603 19.603 18.375 1.228 19479 5571 1 14 . 1 1 78 78 ALA H H 78 9.393 9.393 8.755 0.638 19479 5572 1 14 . 1 1 79 79 GLN N N 79 117.799 117.799 117.999 -0.200 19479 5573 1 14 . 1 1 79 79 GLN HA H 79 4.069 4.069 4.040 0.029 19479 5574 1 14 . 1 1 79 79 GLN CA C 79 58.790 58.790 58.387 0.403 19479 5575 1 14 . 1 1 79 79 GLN CB C 79 28.256 28.256 27.981 0.275 19479 5576 1 14 . 1 1 79 79 GLN H H 79 7.179 7.179 8.068 -0.889 19479 5577 1 14 . 1 1 80 80 TYR N N 80 121.754 121.754 121.823 -0.069 19479 5578 1 14 . 1 1 80 80 TYR HA H 80 3.982 3.982 4.096 -0.114 19479 5579 1 14 . 1 1 80 80 TYR CA C 80 61.965 61.965 61.574 0.391 19479 5580 1 14 . 1 1 80 80 TYR CB C 80 38.227 38.227 38.699 -0.472 19479 5581 1 14 . 1 1 80 80 TYR H H 80 7.716 7.716 7.950 -0.234 19479 5582 1 14 . 1 1 81 81 VAL N N 81 117.864 117.864 118.709 -0.845 19479 5583 1 14 . 1 1 81 81 VAL HA H 81 3.264 3.264 3.485 -0.221 19479 5584 1 14 . 1 1 81 81 VAL CA C 81 66.719 66.719 66.154 0.565 19479 5585 1 14 . 1 1 81 81 VAL CB C 81 32.032 32.032 31.882 0.150 19479 5586 1 14 . 1 1 81 81 VAL H H 81 8.536 8.536 8.651 -0.115 19479 5587 1 14 . 1 1 82 82 ALA N N 82 121.044 121.044 122.200 -1.156 19479 5588 1 14 . 1 1 82 82 ALA HA H 82 3.931 3.931 3.982 -0.051 19479 5589 1 14 . 1 1 82 82 ALA CA C 82 55.130 55.130 55.375 -0.245 19479 5590 1 14 . 1 1 82 82 ALA CB C 82 18.588 18.588 18.191 0.397 19479 5591 1 14 . 1 1 82 82 ALA H H 82 8.420 8.420 8.501 -0.081 19479 5592 1 14 . 1 1 83 83 THR N N 83 109.020 109.020 110.706 -1.686 19479 5593 1 14 . 1 1 83 83 THR HA H 83 4.081 4.081 4.321 -0.240 19479 5594 1 14 . 1 1 83 83 THR CA C 83 64.388 64.388 64.296 0.092 19479 5595 1 14 . 1 1 83 83 THR CB C 83 69.529 69.529 68.913 0.616 19479 5596 1 14 . 1 1 83 83 THR H H 83 7.558 7.558 7.772 -0.214 19479 5597 1 14 . 1 1 84 84 ARG N N 84 119.856 119.856 120.157 -0.301 19479 5598 1 14 . 1 1 84 84 ARG HA H 84 4.199 4.199 4.245 -0.046 19479 5599 1 14 . 1 1 84 84 ARG CA C 84 56.279 56.279 58.461 -2.182 19479 5600 1 14 . 1 1 84 84 ARG CB C 84 30.866 30.866 30.706 0.160 19479 5601 1 14 . 1 1 84 84 ARG H H 84 7.368 7.368 7.412 -0.044 19479 5602 1 14 . 1 1 85 85 SER N N 85 114.607 114.607 115.415 -0.808 19479 5603 1 14 . 1 1 85 85 SER HA H 85 4.301 4.301 4.517 -0.216 19479 5604 1 14 . 1 1 85 85 SER CA C 85 58.927 58.927 58.303 0.624 19479 5605 1 14 . 1 1 85 85 SER CB C 85 63.778 63.778 62.117 1.661 19479 5606 1 14 . 1 1 85 85 SER H H 85 7.783 7.783 8.178 -0.395 19479 5607 1 14 . 1 1 86 86 HIS HA H 86 4.608 4.608 4.361 0.247 19479 5608 1 14 . 1 1 86 86 HIS CA C 86 56.102 56.102 57.519 -1.417 19479 5609 1 14 . 1 1 86 86 HIS CB C 86 30.233 30.233 30.764 -0.531 19479 5610 1 14 . 1 1 87 87 HIS N N 87 125.453 125.453 118.707 6.746 19479 5611 1 14 . 1 1 87 87 HIS HA H 87 4.421 4.421 4.528 -0.107 19479 5612 1 14 . 1 1 87 87 HIS CA C 87 57.381 57.381 55.863 1.518 19479 5613 1 14 . 1 1 87 87 HIS CB C 87 30.430 30.430 28.991 1.438 19479 5614 1 14 . 1 1 87 87 HIS H H 87 8.102 8.102 7.829 0.273 19479 5615 1 15 . 1 1 3 3 VAL HA H 3 4.160 4.160 4.304 -0.144 19479 5616 1 15 . 1 1 3 3 VAL CA C 3 63.130 63.130 62.372 0.758 19479 5617 1 15 . 1 1 3 3 VAL CB C 3 32.605 32.605 32.313 0.292 19479 5618 1 15 . 1 1 4 4 THR N N 4 117.074 117.074 115.490 1.584 19479 5619 1 15 . 1 1 4 4 THR HA H 4 4.454 4.454 4.388 0.066 19479 5620 1 15 . 1 1 4 4 THR CA C 4 61.454 61.454 61.550 -0.096 19479 5621 1 15 . 1 1 4 4 THR CB C 4 70.203 70.203 70.245 -0.042 19479 5622 1 15 . 1 1 4 4 THR H H 4 8.269 8.269 8.154 0.115 19479 5623 1 15 . 1 1 5 5 GLU N N 5 122.628 122.628 121.593 1.035 19479 5624 1 15 . 1 1 5 5 GLU HA H 5 4.305 4.305 4.604 -0.299 19479 5625 1 15 . 1 1 5 5 GLU CA C 5 56.689 56.689 55.862 0.827 19479 5626 1 15 . 1 1 5 5 GLU CB C 5 30.297 30.297 29.922 0.375 19479 5627 1 15 . 1 1 5 5 GLU H H 5 8.465 8.465 8.562 -0.097 19479 5628 1 15 . 1 1 6 6 ALA N N 6 124.915 124.915 122.291 2.624 19479 5629 1 15 . 1 1 6 6 ALA HA H 6 4.301 4.301 4.382 -0.081 19479 5630 1 15 . 1 1 6 6 ALA CA C 6 52.392 52.392 51.955 0.437 19479 5631 1 15 . 1 1 6 6 ALA CB C 6 19.520 19.520 19.647 -0.127 19479 5632 1 15 . 1 1 6 6 ALA H H 6 8.333 8.333 7.764 0.569 19479 5633 1 15 . 1 1 7 7 GLN N N 7 120.476 120.476 119.923 0.553 19479 5634 1 15 . 1 1 7 7 GLN HA H 7 4.275 4.275 4.169 0.106 19479 5635 1 15 . 1 1 7 7 GLN CA C 7 55.512 55.512 55.814 -0.302 19479 5636 1 15 . 1 1 7 7 GLN CB C 7 29.495 29.495 29.230 0.265 19479 5637 1 15 . 1 1 7 7 GLN H H 7 8.340 8.340 8.316 0.024 19479 5638 1 15 . 1 1 8 8 TYR N N 8 124.499 124.499 123.243 1.256 19479 5639 1 15 . 1 1 8 8 TYR HA H 8 4.386 4.386 4.389 -0.003 19479 5640 1 15 . 1 1 8 8 TYR CA C 8 60.233 60.233 59.063 1.170 19479 5641 1 15 . 1 1 8 8 TYR CB C 8 38.173 38.173 38.572 -0.399 19479 5642 1 15 . 1 1 8 8 TYR H H 8 8.506 8.506 8.403 0.103 19479 5643 1 15 . 1 1 9 9 VAL N N 9 130.011 130.011 129.986 0.025 19479 5644 1 15 . 1 1 9 9 VAL HA H 9 3.748 3.748 3.693 0.055 19479 5645 1 15 . 1 1 9 9 VAL CA C 9 61.317 61.317 61.157 0.160 19479 5646 1 15 . 1 1 9 9 VAL CB C 9 34.738 34.738 34.715 0.023 19479 5647 1 15 . 1 1 9 9 VAL H H 9 6.756 6.756 8.071 -1.315 19479 5648 1 15 . 1 1 10 10 ALA N N 10 130.264 130.264 131.316 -1.052 19479 5649 1 15 . 1 1 10 10 ALA HA H 10 4.172 4.172 4.632 -0.460 19479 5650 1 15 . 1 1 10 10 ALA CA C 10 50.602 50.602 50.673 -0.071 19479 5651 1 15 . 1 1 10 10 ALA CB C 10 17.676 17.676 18.139 -0.463 19479 5652 1 15 . 1 1 10 10 ALA H H 10 8.125 8.125 7.893 0.232 19479 5653 1 15 . 1 1 11 11 PRO HA H 11 4.186 4.186 4.138 0.048 19479 5654 1 15 . 1 1 11 11 PRO CA C 11 63.808 63.808 63.224 0.584 19479 5655 1 15 . 1 1 11 11 PRO CB C 11 32.674 32.674 32.269 0.405 19479 5656 1 15 . 1 1 12 12 THR N N 12 113.591 113.591 110.593 2.998 19479 5657 1 15 . 1 1 12 12 THR HA H 12 4.469 4.469 4.379 0.090 19479 5658 1 15 . 1 1 12 12 THR CA C 12 61.950 61.950 61.712 0.238 19479 5659 1 15 . 1 1 12 12 THR CB C 12 71.622 71.622 70.584 1.038 19479 5660 1 15 . 1 1 12 12 THR H H 12 9.701 9.701 9.099 0.602 19479 5661 1 15 . 1 1 13 13 ASN N N 13 116.088 116.088 120.655 -4.567 19479 5662 1 15 . 1 1 13 13 ASN HA H 13 4.771 4.771 4.807 -0.036 19479 5663 1 15 . 1 1 13 13 ASN CA C 13 51.947 51.947 52.705 -0.758 19479 5664 1 15 . 1 1 13 13 ASN CB C 13 39.736 39.736 41.386 -1.650 19479 5665 1 15 . 1 1 13 13 ASN H H 13 7.423 7.423 8.525 -1.102 19479 5666 1 15 . 1 1 14 14 ALA HA H 14 4.136 4.136 4.182 -0.046 19479 5667 1 15 . 1 1 14 14 ALA CA C 14 55.484 55.484 54.736 0.749 19479 5668 1 15 . 1 1 14 14 ALA CB C 14 19.020 19.020 18.927 0.093 19479 5669 1 15 . 1 1 15 15 VAL N N 15 120.332 120.332 118.193 2.139 19479 5670 1 15 . 1 1 15 15 VAL HA H 15 4.191 4.191 3.665 0.526 19479 5671 1 15 . 1 1 15 15 VAL CA C 15 65.158 65.158 66.593 -1.435 19479 5672 1 15 . 1 1 15 15 VAL CB C 15 31.513 31.513 31.700 -0.187 19479 5673 1 15 . 1 1 15 15 VAL H H 15 7.938 7.938 7.731 0.207 19479 5674 1 15 . 1 1 16 16 GLU N N 16 118.751 118.751 120.044 -1.293 19479 5675 1 15 . 1 1 16 16 GLU HA H 16 3.550 3.550 3.848 -0.298 19479 5676 1 15 . 1 1 16 16 GLU CA C 16 59.495 59.495 59.660 -0.165 19479 5677 1 15 . 1 1 16 16 GLU CB C 16 30.851 30.851 29.052 1.799 19479 5678 1 15 . 1 1 16 16 GLU H H 16 8.470 8.470 8.575 -0.105 19479 5679 1 15 . 1 1 17 17 SER N N 17 112.637 112.637 114.094 -1.457 19479 5680 1 15 . 1 1 17 17 SER HA H 17 3.968 3.968 4.105 -0.137 19479 5681 1 15 . 1 1 17 17 SER CA C 17 62.523 62.523 61.407 1.116 19479 5682 1 15 . 1 1 17 17 SER CB C 17 62.669 62.669 62.885 -0.216 19479 5683 1 15 . 1 1 17 17 SER H H 17 8.386 8.386 8.077 0.309 19479 5684 1 15 . 1 1 18 18 LYS N N 18 124.394 124.394 121.373 3.021 19479 5685 1 15 . 1 1 18 18 LYS HA H 18 4.287 4.287 4.230 0.057 19479 5686 1 15 . 1 1 18 18 LYS CA C 18 57.421 57.421 57.895 -0.474 19479 5687 1 15 . 1 1 18 18 LYS CB C 18 30.018 30.018 32.367 -2.349 19479 5688 1 15 . 1 1 18 18 LYS H H 18 8.104 8.104 7.635 0.469 19479 5689 1 15 . 1 1 19 19 LEU N N 19 118.589 118.589 120.537 -1.948 19479 5690 1 15 . 1 1 19 19 LEU HA H 19 4.027 4.027 3.973 0.054 19479 5691 1 15 . 1 1 19 19 LEU CA C 19 58.178 58.178 58.593 -0.414 19479 5692 1 15 . 1 1 19 19 LEU CB C 19 42.135 42.135 41.320 0.815 19479 5693 1 15 . 1 1 19 19 LEU H H 19 8.742 8.742 7.812 0.930 19479 5694 1 15 . 1 1 20 20 ALA N N 20 121.037 121.037 119.848 1.189 19479 5695 1 15 . 1 1 20 20 ALA HA H 20 3.775 3.775 3.697 0.078 19479 5696 1 15 . 1 1 20 20 ALA CA C 20 56.194 56.194 54.979 1.215 19479 5697 1 15 . 1 1 20 20 ALA CB C 20 16.862 16.862 18.205 -1.343 19479 5698 1 15 . 1 1 20 20 ALA H H 20 8.199 8.199 8.268 -0.069 19479 5699 1 15 . 1 1 21 21 GLU N N 21 118.948 118.948 118.322 0.626 19479 5700 1 15 . 1 1 21 21 GLU HA H 21 4.129 4.129 4.128 0.001 19479 5701 1 15 . 1 1 21 21 GLU CA C 21 59.788 59.788 58.877 0.910 19479 5702 1 15 . 1 1 21 21 GLU CB C 21 29.887 29.887 29.818 0.069 19479 5703 1 15 . 1 1 21 21 GLU H H 21 7.716 7.716 7.627 0.089 19479 5704 1 15 . 1 1 22 22 ILE N N 22 120.355 120.355 120.426 -0.071 19479 5705 1 15 . 1 1 22 22 ILE HA H 22 3.780 3.780 3.819 -0.039 19479 5706 1 15 . 1 1 22 22 ILE CA C 22 65.850 65.850 64.875 0.975 19479 5707 1 15 . 1 1 22 22 ILE CB C 22 38.677 38.677 37.946 0.731 19479 5708 1 15 . 1 1 22 22 ILE H H 22 8.409 8.409 7.682 0.727 19479 5709 1 15 . 1 1 23 23 TRP N N 23 120.272 120.272 118.860 1.412 19479 5710 1 15 . 1 1 23 23 TRP HA H 23 4.191 4.191 4.389 -0.198 19479 5711 1 15 . 1 1 23 23 TRP CA C 23 61.819 61.819 60.448 1.371 19479 5712 1 15 . 1 1 23 23 TRP CB C 23 29.177 29.177 28.564 0.613 19479 5713 1 15 . 1 1 23 23 TRP H H 23 9.551 9.551 8.252 1.299 19479 5714 1 15 . 1 1 24 24 GLU N N 24 119.281 119.281 119.360 -0.079 19479 5715 1 15 . 1 1 24 24 GLU HA H 24 4.210 4.210 4.196 0.014 19479 5716 1 15 . 1 1 24 24 GLU CA C 24 60.695 60.695 59.874 0.821 19479 5717 1 15 . 1 1 24 24 GLU CB C 24 29.397 29.397 29.300 0.097 19479 5718 1 15 . 1 1 24 24 GLU H H 24 9.039 9.039 7.719 1.320 19479 5719 1 15 . 1 1 25 25 ARG N N 25 119.408 119.408 115.620 3.788 19479 5720 1 15 . 1 1 25 25 ARG HA H 25 4.205 4.205 4.235 -0.030 19479 5721 1 15 . 1 1 25 25 ARG CA C 25 59.015 59.015 58.262 0.753 19479 5722 1 15 . 1 1 25 25 ARG CB C 25 30.246 30.246 29.964 0.282 19479 5723 1 15 . 1 1 25 25 ARG H H 25 8.060 8.060 7.850 0.210 19479 5724 1 15 . 1 1 26 26 VAL N N 26 119.220 119.220 114.559 4.661 19479 5725 1 15 . 1 1 26 26 VAL HA H 26 3.782 3.782 4.260 -0.478 19479 5726 1 15 . 1 1 26 26 VAL CA C 26 65.845 65.845 63.340 2.505 19479 5727 1 15 . 1 1 26 26 VAL CB C 26 32.717 32.717 32.465 0.252 19479 5728 1 15 . 1 1 26 26 VAL H H 26 8.475 8.475 7.394 1.081 19479 5729 1 15 . 1 1 27 27 LEU N N 27 116.095 116.095 118.791 -2.696 19479 5730 1 15 . 1 1 27 27 LEU HA H 27 4.018 4.018 4.040 -0.022 19479 5731 1 15 . 1 1 27 27 LEU CA C 27 55.757 55.757 56.066 -0.309 19479 5732 1 15 . 1 1 27 27 LEU CB C 27 42.504 42.504 42.223 0.281 19479 5733 1 15 . 1 1 27 27 LEU H H 27 9.005 9.005 7.958 1.047 19479 5734 1 15 . 1 1 28 28 GLY N N 28 108.722 108.722 108.088 0.634 19479 5735 1 15 . 1 1 28 28 GLY CA C 28 46.721 46.721 45.597 1.124 19479 5736 1 15 . 1 1 28 28 GLY H H 28 8.056 8.056 7.976 0.080 19479 5737 1 15 . 1 1 29 29 VAL N N 29 115.103 115.103 115.257 -0.154 19479 5738 1 15 . 1 1 29 29 VAL HA H 29 4.457 4.457 4.783 -0.326 19479 5739 1 15 . 1 1 29 29 VAL CA C 29 59.845 59.845 59.133 0.712 19479 5740 1 15 . 1 1 29 29 VAL CB C 29 35.477 35.477 34.795 0.682 19479 5741 1 15 . 1 1 29 29 VAL H H 29 7.044 7.044 7.549 -0.505 19479 5742 1 15 . 1 1 30 30 SER N N 30 115.417 115.417 115.544 -0.127 19479 5743 1 15 . 1 1 30 30 SER HA H 30 4.683 4.683 5.052 -0.369 19479 5744 1 15 . 1 1 30 30 SER CA C 30 56.970 56.970 57.206 -0.236 19479 5745 1 15 . 1 1 30 30 SER CB C 30 65.294 65.294 64.153 1.141 19479 5746 1 15 . 1 1 30 30 SER H H 30 8.151 8.151 8.278 -0.127 19479 5747 1 15 . 1 1 31 31 GLY N N 31 112.008 112.008 116.324 -4.316 19479 5748 1 15 . 1 1 31 31 GLY CA C 31 46.545 46.545 44.896 1.649 19479 5749 1 15 . 1 1 31 31 GLY H H 31 8.573 8.573 8.809 -0.236 19479 5750 1 15 . 1 1 32 32 ILE N N 32 121.204 121.204 120.881 0.323 19479 5751 1 15 . 1 1 32 32 ILE HA H 32 3.898 3.898 4.477 -0.579 19479 5752 1 15 . 1 1 32 32 ILE CA C 32 63.126 63.126 59.153 3.974 19479 5753 1 15 . 1 1 32 32 ILE CB C 32 38.993 38.993 38.391 0.602 19479 5754 1 15 . 1 1 32 32 ILE H H 32 8.241 8.241 7.979 0.262 19479 5755 1 15 . 1 1 33 33 GLY N N 33 115.038 115.038 112.452 2.586 19479 5756 1 15 . 1 1 33 33 GLY CA C 33 44.330 44.330 43.538 0.792 19479 5757 1 15 . 1 1 33 33 GLY H H 33 8.760 8.760 8.608 0.152 19479 5758 1 15 . 1 1 34 34 ILE N N 34 110.067 110.067 116.273 -6.206 19479 5759 1 15 . 1 1 34 34 ILE HA H 34 4.017 4.017 4.032 -0.015 19479 5760 1 15 . 1 1 34 34 ILE CA C 34 64.500 64.500 63.870 0.630 19479 5761 1 15 . 1 1 34 34 ILE CB C 34 37.731 37.731 38.757 -1.026 19479 5762 1 15 . 1 1 34 34 ILE H H 34 8.566 8.566 8.398 0.168 19479 5763 1 15 . 1 1 35 35 LEU N N 35 117.052 117.052 114.796 2.256 19479 5764 1 15 . 1 1 35 35 LEU HA H 35 4.692 4.692 4.532 0.160 19479 5765 1 15 . 1 1 35 35 LEU CA C 35 53.247 53.247 54.361 -1.114 19479 5766 1 15 . 1 1 35 35 LEU CB C 35 42.094 42.094 41.643 0.451 19479 5767 1 15 . 1 1 35 35 LEU H H 35 8.191 8.191 7.878 0.313 19479 5768 1 15 . 1 1 36 36 ASP N N 36 121.535 121.535 119.331 2.204 19479 5769 1 15 . 1 1 36 36 ASP HA H 36 4.387 4.387 4.620 -0.233 19479 5770 1 15 . 1 1 36 36 ASP CA C 36 55.244 55.244 53.023 2.221 19479 5771 1 15 . 1 1 36 36 ASP CB C 36 41.170 41.170 41.425 -0.255 19479 5772 1 15 . 1 1 36 36 ASP H H 36 7.098 7.098 7.931 -0.833 19479 5773 1 15 . 1 1 37 37 ASN N N 37 123.266 123.266 122.198 1.068 19479 5774 1 15 . 1 1 37 37 ASN HA H 37 4.954 4.954 5.081 -0.127 19479 5775 1 15 . 1 1 37 37 ASN CA C 37 53.319 53.319 52.612 0.707 19479 5776 1 15 . 1 1 37 37 ASN CB C 37 39.610 39.610 38.782 0.828 19479 5777 1 15 . 1 1 37 37 ASN H H 37 9.116 9.116 8.766 0.350 19479 5778 1 15 . 1 1 38 38 PHE N N 38 126.469 126.469 127.681 -1.212 19479 5779 1 15 . 1 1 38 38 PHE HA H 38 3.393 3.393 3.822 -0.429 19479 5780 1 15 . 1 1 38 38 PHE CA C 38 61.965 61.965 62.382 -0.417 19479 5781 1 15 . 1 1 38 38 PHE CB C 38 40.851 40.851 38.825 2.026 19479 5782 1 15 . 1 1 38 38 PHE H H 38 9.344 9.344 8.802 0.542 19479 5783 1 15 . 1 1 39 39 PHE N N 39 112.189 112.189 114.709 -2.520 19479 5784 1 15 . 1 1 39 39 PHE HA H 39 3.933 3.933 4.393 -0.460 19479 5785 1 15 . 1 1 39 39 PHE CA C 39 59.682 59.682 60.067 -0.385 19479 5786 1 15 . 1 1 39 39 PHE CB C 39 38.040 38.040 38.227 -0.187 19479 5787 1 15 . 1 1 39 39 PHE H H 39 8.052 8.052 8.008 0.044 19479 5788 1 15 . 1 1 40 40 GLN N N 40 119.928 119.928 120.556 -0.628 19479 5789 1 15 . 1 1 40 40 GLN HA H 40 4.392 4.392 4.167 0.225 19479 5790 1 15 . 1 1 40 40 GLN CA C 40 57.191 57.191 58.340 -1.149 19479 5791 1 15 . 1 1 40 40 GLN CB C 40 29.466 29.466 28.488 0.978 19479 5792 1 15 . 1 1 40 40 GLN H H 40 8.297 8.297 7.866 0.431 19479 5793 1 15 . 1 1 41 41 ILE N N 41 110.997 110.997 116.651 -5.654 19479 5794 1 15 . 1 1 41 41 ILE HA H 41 4.493 4.493 3.922 0.571 19479 5795 1 15 . 1 1 41 41 ILE CA C 41 61.348 61.348 62.201 -0.853 19479 5796 1 15 . 1 1 41 41 ILE CB C 41 37.882 37.882 38.302 -0.420 19479 5797 1 15 . 1 1 41 41 ILE H H 41 7.133 7.133 7.709 -0.576 19479 5798 1 15 . 1 1 42 42 GLY N N 42 106.355 106.355 106.364 -0.009 19479 5799 1 15 . 1 1 42 42 GLY CA C 42 44.679 44.679 44.353 0.326 19479 5800 1 15 . 1 1 42 42 GLY H H 42 7.433 7.433 7.496 -0.063 19479 5801 1 15 . 1 1 43 43 GLY N N 43 107.808 107.808 109.013 -1.205 19479 5802 1 15 . 1 1 43 43 GLY CA C 43 45.389 45.389 44.339 1.050 19479 5803 1 15 . 1 1 43 43 GLY H H 43 7.826 7.826 7.600 0.226 19479 5804 1 15 . 1 1 44 44 HIS N N 44 112.337 112.337 118.047 -5.710 19479 5805 1 15 . 1 1 44 44 HIS HA H 44 4.979 4.979 4.928 0.051 19479 5806 1 15 . 1 1 44 44 HIS CA C 44 54.773 54.773 54.536 0.237 19479 5807 1 15 . 1 1 44 44 HIS CB C 44 31.867 31.867 31.098 0.769 19479 5808 1 15 . 1 1 44 44 HIS H H 44 6.369 6.369 7.787 -1.418 19479 5809 1 15 . 1 1 45 45 ALA HA H 45 4.264 4.264 4.202 0.062 19479 5810 1 15 . 1 1 45 45 ALA CA C 45 57.581 57.581 55.511 2.070 19479 5811 1 15 . 1 1 45 45 ALA CB C 45 18.718 18.718 18.283 0.435 19479 5812 1 15 . 1 1 46 46 LEU N N 46 117.791 117.791 118.572 -0.781 19479 5813 1 15 . 1 1 46 46 LEU HA H 46 4.420 4.420 4.099 0.321 19479 5814 1 15 . 1 1 46 46 LEU CA C 46 58.559 58.559 58.211 0.348 19479 5815 1 15 . 1 1 46 46 LEU CB C 46 41.652 41.652 41.338 0.314 19479 5816 1 15 . 1 1 46 46 LEU H H 46 8.807 8.807 8.354 0.453 19479 5817 1 15 . 1 1 47 47 LYS N N 47 118.822 118.822 118.163 0.659 19479 5818 1 15 . 1 1 47 47 LYS HA H 47 4.200 4.200 3.898 0.302 19479 5819 1 15 . 1 1 47 47 LYS CA C 47 58.352 58.352 58.792 -0.440 19479 5820 1 15 . 1 1 47 47 LYS CB C 47 32.994 32.994 31.542 1.452 19479 5821 1 15 . 1 1 47 47 LYS H H 47 7.589 7.589 7.191 0.398 19479 5822 1 15 . 1 1 48 48 ALA N N 48 122.769 122.769 122.663 0.106 19479 5823 1 15 . 1 1 48 48 ALA HA H 48 3.575 3.575 3.543 0.032 19479 5824 1 15 . 1 1 48 48 ALA CA C 48 55.102 55.102 55.071 0.032 19479 5825 1 15 . 1 1 48 48 ALA CB C 48 18.239 18.239 18.176 0.063 19479 5826 1 15 . 1 1 48 48 ALA H H 48 8.736 8.736 8.559 0.177 19479 5827 1 15 . 1 1 49 49 MET N N 49 116.936 116.936 117.152 -0.216 19479 5828 1 15 . 1 1 49 49 MET HA H 49 4.169 4.169 4.114 0.055 19479 5829 1 15 . 1 1 49 49 MET CA C 49 58.869 58.869 58.091 0.778 19479 5830 1 15 . 1 1 49 49 MET CB C 49 32.511 32.511 31.970 0.542 19479 5831 1 15 . 1 1 49 49 MET H H 49 8.000 8.000 8.444 -0.444 19479 5832 1 15 . 1 1 50 50 ALA N N 50 123.686 123.686 122.348 1.338 19479 5833 1 15 . 1 1 50 50 ALA HA H 50 4.401 4.401 4.097 0.304 19479 5834 1 15 . 1 1 50 50 ALA CA C 50 55.265 55.265 55.340 -0.075 19479 5835 1 15 . 1 1 50 50 ALA CB C 50 18.320 18.320 18.082 0.238 19479 5836 1 15 . 1 1 50 50 ALA H H 50 7.389 7.389 8.339 -0.950 19479 5837 1 15 . 1 1 51 51 VAL N N 51 118.885 118.885 118.734 0.151 19479 5838 1 15 . 1 1 51 51 VAL HA H 51 3.437 3.437 3.636 -0.199 19479 5839 1 15 . 1 1 51 51 VAL CA C 51 66.975 66.975 65.257 1.718 19479 5840 1 15 . 1 1 51 51 VAL CB C 51 31.268 31.268 30.407 0.861 19479 5841 1 15 . 1 1 51 51 VAL H H 51 7.981 7.981 7.734 0.247 19479 5842 1 15 . 1 1 52 52 ALA N N 52 121.555 121.555 122.581 -1.026 19479 5843 1 15 . 1 1 52 52 ALA HA H 52 3.990 3.990 3.900 0.090 19479 5844 1 15 . 1 1 52 52 ALA CA C 52 56.056 56.056 55.124 0.932 19479 5845 1 15 . 1 1 52 52 ALA CB C 52 18.099 18.099 18.056 0.043 19479 5846 1 15 . 1 1 52 52 ALA H H 52 8.499 8.499 7.927 0.572 19479 5847 1 15 . 1 1 53 53 ALA N N 53 121.958 121.958 121.416 0.542 19479 5848 1 15 . 1 1 53 53 ALA HA H 53 4.346 4.346 3.964 0.382 19479 5849 1 15 . 1 1 53 53 ALA CA C 53 55.454 55.454 54.942 0.512 19479 5850 1 15 . 1 1 53 53 ALA CB C 53 18.079 18.079 18.488 -0.409 19479 5851 1 15 . 1 1 53 53 ALA H H 53 8.238 8.238 7.909 0.329 19479 5852 1 15 . 1 1 54 54 GLN N N 54 118.520 118.520 118.464 0.056 19479 5853 1 15 . 1 1 54 54 GLN HA H 54 4.157 4.157 4.064 0.093 19479 5854 1 15 . 1 1 54 54 GLN CA C 54 59.303 59.303 58.929 0.374 19479 5855 1 15 . 1 1 54 54 GLN CB C 54 28.684 28.684 28.960 -0.276 19479 5856 1 15 . 1 1 54 54 GLN H H 54 7.914 7.914 7.658 0.256 19479 5857 1 15 . 1 1 55 55 VAL N N 55 121.643 121.643 121.095 0.548 19479 5858 1 15 . 1 1 55 55 VAL HA H 55 3.673 3.673 3.884 -0.211 19479 5859 1 15 . 1 1 55 55 VAL CA C 55 67.521 67.521 67.324 0.197 19479 5860 1 15 . 1 1 55 55 VAL CB C 55 31.569 31.569 31.901 -0.332 19479 5861 1 15 . 1 1 55 55 VAL H H 55 8.915 8.915 8.863 0.052 19479 5862 1 15 . 1 1 56 56 HIS N N 56 120.993 120.993 119.372 1.621 19479 5863 1 15 . 1 1 56 56 HIS HA H 56 4.314 4.314 4.656 -0.342 19479 5864 1 15 . 1 1 56 56 HIS CA C 56 60.994 60.994 58.804 2.190 19479 5865 1 15 . 1 1 56 56 HIS CB C 56 30.226 30.226 29.890 0.336 19479 5866 1 15 . 1 1 56 56 HIS H H 56 8.328 8.328 8.307 0.021 19479 5867 1 15 . 1 1 57 57 ARG N N 57 119.241 119.241 117.837 1.404 19479 5868 1 15 . 1 1 57 57 ARG HA H 57 3.963 3.963 4.200 -0.237 19479 5869 1 15 . 1 1 57 57 ARG CA C 57 59.269 59.269 58.552 0.717 19479 5870 1 15 . 1 1 57 57 ARG CB C 57 30.220 30.220 29.898 0.322 19479 5871 1 15 . 1 1 57 57 ARG H H 57 7.849 7.849 7.819 0.030 19479 5872 1 15 . 1 1 58 58 GLU N N 58 116.079 116.079 118.917 -2.838 19479 5873 1 15 . 1 1 58 58 GLU HA H 58 3.944 3.944 4.177 -0.233 19479 5874 1 15 . 1 1 58 58 GLU CA C 58 58.351 58.351 58.514 -0.163 19479 5875 1 15 . 1 1 58 58 GLU CB C 58 30.571 30.571 30.537 0.034 19479 5876 1 15 . 1 1 58 58 GLU H H 58 7.874 7.874 8.242 -0.368 19479 5877 1 15 . 1 1 59 59 TYR N N 59 112.274 112.274 116.303 -4.029 19479 5878 1 15 . 1 1 59 59 TYR HA H 59 4.686 4.686 4.536 0.150 19479 5879 1 15 . 1 1 59 59 TYR CA C 59 58.616 58.616 58.439 0.177 19479 5880 1 15 . 1 1 59 59 TYR CB C 59 40.589 40.589 38.508 2.081 19479 5881 1 15 . 1 1 59 59 TYR H H 59 8.303 8.303 8.316 -0.013 19479 5882 1 15 . 1 1 60 60 GLN N N 60 115.629 115.629 114.930 0.699 19479 5883 1 15 . 1 1 60 60 GLN HA H 60 3.481 3.481 4.208 -0.727 19479 5884 1 15 . 1 1 60 60 GLN CA C 60 57.418 57.418 56.720 0.698 19479 5885 1 15 . 1 1 60 60 GLN CB C 60 25.628 25.628 26.655 -1.027 19479 5886 1 15 . 1 1 60 60 GLN H H 60 8.382 8.382 7.722 0.660 19479 5887 1 15 . 1 1 61 61 VAL N N 61 114.547 114.547 116.237 -1.690 19479 5888 1 15 . 1 1 61 61 VAL HA H 61 4.347 4.347 4.204 0.143 19479 5889 1 15 . 1 1 61 61 VAL CA C 61 60.118 60.118 60.336 -0.218 19479 5890 1 15 . 1 1 61 61 VAL CB C 61 35.547 35.547 35.877 -0.330 19479 5891 1 15 . 1 1 61 61 VAL H H 61 6.532 6.532 7.823 -1.291 19479 5892 1 15 . 1 1 62 62 GLU N N 62 125.938 125.938 128.603 -2.665 19479 5893 1 15 . 1 1 62 62 GLU HA H 62 4.270 4.270 3.606 0.664 19479 5894 1 15 . 1 1 62 62 GLU CA C 62 55.857 55.857 56.965 -1.108 19479 5895 1 15 . 1 1 62 62 GLU CB C 62 30.334 30.334 30.257 0.077 19479 5896 1 15 . 1 1 62 62 GLU H H 62 8.741 8.741 8.231 0.510 19479 5897 1 15 . 1 1 63 63 LEU N N 63 127.837 127.837 127.254 0.583 19479 5898 1 15 . 1 1 63 63 LEU HA H 63 4.845 4.845 4.838 0.007 19479 5899 1 15 . 1 1 63 63 LEU CA C 63 50.751 50.751 51.415 -0.664 19479 5900 1 15 . 1 1 63 63 LEU CB C 63 43.313 43.313 43.263 0.050 19479 5901 1 15 . 1 1 63 63 LEU H H 63 8.939 8.939 8.644 0.295 19479 5902 1 15 . 1 1 64 64 PRO HA H 64 4.446 4.446 4.514 -0.068 19479 5903 1 15 . 1 1 64 64 PRO CA C 64 62.060 62.060 61.944 0.116 19479 5904 1 15 . 1 1 64 64 PRO CB C 64 32.346 32.346 32.973 -0.627 19479 5905 1 15 . 1 1 65 65 LEU N N 65 126.325 126.325 123.552 2.773 19479 5906 1 15 . 1 1 65 65 LEU HA H 65 3.772 3.772 3.920 -0.148 19479 5907 1 15 . 1 1 65 65 LEU CA C 65 58.426 58.426 57.845 0.581 19479 5908 1 15 . 1 1 65 65 LEU CB C 65 40.688 40.688 41.974 -1.286 19479 5909 1 15 . 1 1 65 65 LEU H H 65 8.746 8.746 8.978 -0.232 19479 5910 1 15 . 1 1 66 66 LYS N N 66 114.157 114.157 117.397 -3.240 19479 5911 1 15 . 1 1 66 66 LYS HA H 66 3.999 3.999 4.318 -0.319 19479 5912 1 15 . 1 1 66 66 LYS CA C 66 59.383 59.383 59.314 0.069 19479 5913 1 15 . 1 1 66 66 LYS CB C 66 32.166 32.166 31.459 0.708 19479 5914 1 15 . 1 1 66 66 LYS H H 66 8.551 8.551 8.068 0.483 19479 5915 1 15 . 1 1 67 67 VAL N N 67 119.827 119.827 118.572 1.255 19479 5916 1 15 . 1 1 67 67 VAL HA H 67 3.611 3.611 3.861 -0.250 19479 5917 1 15 . 1 1 67 67 VAL CA C 67 65.655 65.655 64.201 1.454 19479 5918 1 15 . 1 1 67 67 VAL CB C 67 31.425 31.425 31.829 -0.404 19479 5919 1 15 . 1 1 67 67 VAL H H 67 7.190 7.190 7.731 -0.541 19479 5920 1 15 . 1 1 68 68 LEU N N 68 120.867 120.867 122.604 -1.737 19479 5921 1 15 . 1 1 68 68 LEU HA H 68 3.922 3.922 3.860 0.062 19479 5922 1 15 . 1 1 68 68 LEU CA C 68 58.322 58.322 58.128 0.194 19479 5923 1 15 . 1 1 68 68 LEU CB C 68 41.911 41.911 41.038 0.873 19479 5924 1 15 . 1 1 68 68 LEU H H 68 6.936 6.936 7.462 -0.526 19479 5925 1 15 . 1 1 69 69 PHE N N 69 112.682 112.682 117.394 -4.712 19479 5926 1 15 . 1 1 69 69 PHE HA H 69 4.265 4.265 4.822 -0.557 19479 5927 1 15 . 1 1 69 69 PHE CA C 69 60.265 60.265 60.278 -0.013 19479 5928 1 15 . 1 1 69 69 PHE CB C 69 38.725 38.725 38.743 -0.018 19479 5929 1 15 . 1 1 69 69 PHE H H 69 8.201 8.201 8.583 -0.382 19479 5930 1 15 . 1 1 70 70 ALA N N 70 118.803 118.803 122.480 -3.677 19479 5931 1 15 . 1 1 70 70 ALA HA H 70 4.302 4.302 3.461 0.841 19479 5932 1 15 . 1 1 70 70 ALA CA C 70 54.025 54.025 53.410 0.615 19479 5933 1 15 . 1 1 70 70 ALA CB C 70 19.656 19.656 19.020 0.635 19479 5934 1 15 . 1 1 70 70 ALA H H 70 7.448 7.448 7.175 0.273 19479 5935 1 15 . 1 1 71 71 GLN N N 71 116.280 116.280 115.381 0.899 19479 5936 1 15 . 1 1 71 71 GLN HA H 71 4.848 4.848 4.739 0.109 19479 5937 1 15 . 1 1 71 71 GLN CA C 71 53.120 53.120 52.326 0.794 19479 5938 1 15 . 1 1 71 71 GLN CB C 71 29.026 29.026 29.985 -0.959 19479 5939 1 15 . 1 1 71 71 GLN H H 71 7.561 7.561 8.107 -0.546 19479 5940 1 15 . 1 1 72 72 PRO HA H 72 4.989 4.989 4.621 0.368 19479 5941 1 15 . 1 1 72 72 PRO CA C 72 64.307 64.307 63.112 1.195 19479 5942 1 15 . 1 1 72 72 PRO CB C 72 30.240 30.240 29.954 0.286 19479 5943 1 15 . 1 1 73 73 THR N N 73 109.972 109.972 110.838 -0.866 19479 5944 1 15 . 1 1 73 73 THR HA H 73 5.198 5.198 5.211 -0.013 19479 5945 1 15 . 1 1 73 73 THR CA C 73 59.292 59.292 59.325 -0.033 19479 5946 1 15 . 1 1 73 73 THR CB C 73 72.314 72.314 73.114 -0.800 19479 5947 1 15 . 1 1 73 73 THR H H 73 8.303 8.303 7.912 0.391 19479 5948 1 15 . 1 1 74 74 ILE N N 74 125.105 125.105 123.555 1.550 19479 5949 1 15 . 1 1 74 74 ILE HA H 74 3.061 3.061 3.280 -0.219 19479 5950 1 15 . 1 1 74 74 ILE CA C 74 66.019 66.019 64.112 1.907 19479 5951 1 15 . 1 1 74 74 ILE CB C 74 37.443 37.443 36.622 0.821 19479 5952 1 15 . 1 1 74 74 ILE H H 74 9.908 9.908 8.960 0.948 19479 5953 1 15 . 1 1 75 75 LYS N N 75 119.445 119.445 120.206 -0.761 19479 5954 1 15 . 1 1 75 75 LYS HA H 75 3.797 3.797 3.883 -0.086 19479 5955 1 15 . 1 1 75 75 LYS CA C 75 60.205 60.205 59.941 0.264 19479 5956 1 15 . 1 1 75 75 LYS CB C 75 33.098 33.098 32.126 0.972 19479 5957 1 15 . 1 1 75 75 LYS H H 75 9.024 9.024 8.058 0.966 19479 5958 1 15 . 1 1 76 76 ALA N N 76 119.581 119.581 122.253 -2.672 19479 5959 1 15 . 1 1 76 76 ALA HA H 76 4.216 4.216 4.096 0.120 19479 5960 1 15 . 1 1 76 76 ALA CA C 76 54.809 54.809 54.846 -0.037 19479 5961 1 15 . 1 1 76 76 ALA CB C 76 19.422 19.422 18.439 0.983 19479 5962 1 15 . 1 1 76 76 ALA H H 76 7.621 7.621 7.425 0.196 19479 5963 1 15 . 1 1 77 77 LEU N N 77 121.833 121.833 119.234 2.599 19479 5964 1 15 . 1 1 77 77 LEU HA H 77 4.097 4.097 3.916 0.181 19479 5965 1 15 . 1 1 77 77 LEU CA C 77 57.612 57.612 57.573 0.039 19479 5966 1 15 . 1 1 77 77 LEU CB C 77 42.192 42.192 41.265 0.927 19479 5967 1 15 . 1 1 77 77 LEU H H 77 8.915 8.915 7.923 0.992 19479 5968 1 15 . 1 1 78 78 ALA N N 78 120.481 120.481 121.797 -1.316 19479 5969 1 15 . 1 1 78 78 ALA HA H 78 3.751 3.751 3.788 -0.037 19479 5970 1 15 . 1 1 78 78 ALA CA C 78 55.117 55.117 55.410 -0.293 19479 5971 1 15 . 1 1 78 78 ALA CB C 78 19.603 19.603 17.997 1.606 19479 5972 1 15 . 1 1 78 78 ALA H H 78 9.393 9.393 8.691 0.702 19479 5973 1 15 . 1 1 79 79 GLN N N 79 117.799 117.799 117.794 0.005 19479 5974 1 15 . 1 1 79 79 GLN HA H 79 4.069 4.069 4.039 0.030 19479 5975 1 15 . 1 1 79 79 GLN CA C 79 58.790 58.790 58.597 0.193 19479 5976 1 15 . 1 1 79 79 GLN CB C 79 28.256 28.256 28.993 -0.737 19479 5977 1 15 . 1 1 79 79 GLN H H 79 7.179 7.179 7.656 -0.477 19479 5978 1 15 . 1 1 80 80 TYR N N 80 121.754 121.754 122.072 -0.318 19479 5979 1 15 . 1 1 80 80 TYR HA H 80 3.982 3.982 4.092 -0.110 19479 5980 1 15 . 1 1 80 80 TYR CA C 80 61.965 61.965 61.654 0.312 19479 5981 1 15 . 1 1 80 80 TYR CB C 80 38.227 38.227 38.516 -0.289 19479 5982 1 15 . 1 1 80 80 TYR H H 80 7.716 7.716 8.236 -0.520 19479 5983 1 15 . 1 1 81 81 VAL N N 81 117.864 117.864 119.434 -1.570 19479 5984 1 15 . 1 1 81 81 VAL HA H 81 3.264 3.264 3.377 -0.113 19479 5985 1 15 . 1 1 81 81 VAL CA C 81 66.719 66.719 66.339 0.380 19479 5986 1 15 . 1 1 81 81 VAL CB C 81 32.032 32.032 31.433 0.600 19479 5987 1 15 . 1 1 81 81 VAL H H 81 8.536 8.536 8.478 0.058 19479 5988 1 15 . 1 1 82 82 ALA N N 82 121.044 121.044 122.326 -1.282 19479 5989 1 15 . 1 1 82 82 ALA HA H 82 3.931 3.931 3.917 0.014 19479 5990 1 15 . 1 1 82 82 ALA CA C 82 55.130 55.130 54.948 0.182 19479 5991 1 15 . 1 1 82 82 ALA CB C 82 18.588 18.588 18.166 0.422 19479 5992 1 15 . 1 1 82 82 ALA H H 82 8.420 8.420 8.114 0.306 19479 5993 1 15 . 1 1 83 83 THR N N 83 109.020 109.020 111.828 -2.808 19479 5994 1 15 . 1 1 83 83 THR HA H 83 4.081 4.081 4.167 -0.086 19479 5995 1 15 . 1 1 83 83 THR CA C 83 64.388 64.388 64.263 0.125 19479 5996 1 15 . 1 1 83 83 THR CB C 83 69.529 69.529 68.839 0.690 19479 5997 1 15 . 1 1 83 83 THR H H 83 7.558 7.558 8.001 -0.443 19479 5998 1 15 . 1 1 84 84 ARG N N 84 119.856 119.856 117.612 2.244 19479 5999 1 15 . 1 1 84 84 ARG HA H 84 4.199 4.199 4.303 -0.104 19479 6000 1 15 . 1 1 84 84 ARG CA C 84 56.279 56.279 57.331 -1.052 19479 6001 1 15 . 1 1 84 84 ARG CB C 84 30.866 30.866 31.131 -0.265 19479 6002 1 15 . 1 1 84 84 ARG H H 84 7.368 7.368 7.347 0.021 19479 6003 1 15 . 1 1 85 85 SER N N 85 114.607 114.607 113.664 0.943 19479 6004 1 15 . 1 1 85 85 SER HA H 85 4.301 4.301 4.174 0.127 19479 6005 1 15 . 1 1 85 85 SER CA C 85 58.927 58.927 60.282 -1.355 19479 6006 1 15 . 1 1 85 85 SER CB C 85 63.778 63.778 63.432 0.346 19479 6007 1 15 . 1 1 85 85 SER H H 85 7.783 7.783 7.575 0.208 19479 6008 1 15 . 1 1 86 86 HIS HA H 86 4.608 4.608 4.344 0.264 19479 6009 1 15 . 1 1 86 86 HIS CA C 86 56.102 56.102 56.803 -0.701 19479 6010 1 15 . 1 1 86 86 HIS CB C 86 30.233 30.233 29.768 0.465 19479 6011 1 15 . 1 1 87 87 HIS N N 87 125.453 125.453 123.573 1.880 19479 6012 1 15 . 1 1 87 87 HIS HA H 87 4.421 4.421 4.282 0.139 19479 6013 1 15 . 1 1 87 87 HIS CA C 87 57.381 57.381 56.696 0.685 19479 6014 1 15 . 1 1 87 87 HIS CB C 87 30.430 30.430 30.040 0.390 19479 6015 1 15 . 1 1 87 87 HIS H H 87 8.102 8.102 8.215 -0.113 19479 6016 1 16 . 1 1 3 3 VAL HA H 3 4.160 4.160 4.118 0.042 19479 6017 1 16 . 1 1 3 3 VAL CA C 3 63.130 63.130 63.685 -0.555 19479 6018 1 16 . 1 1 3 3 VAL CB C 3 32.605 32.605 32.093 0.512 19479 6019 1 16 . 1 1 4 4 THR N N 4 117.074 117.074 116.255 0.819 19479 6020 1 16 . 1 1 4 4 THR HA H 4 4.454 4.454 4.658 -0.204 19479 6021 1 16 . 1 1 4 4 THR CA C 4 61.454 61.454 61.368 0.086 19479 6022 1 16 . 1 1 4 4 THR CB C 4 70.203 70.203 70.862 -0.659 19479 6023 1 16 . 1 1 4 4 THR H H 4 8.269 8.269 7.928 0.341 19479 6024 1 16 . 1 1 5 5 GLU N N 5 122.628 122.628 119.841 2.787 19479 6025 1 16 . 1 1 5 5 GLU HA H 5 4.305 4.305 4.772 -0.467 19479 6026 1 16 . 1 1 5 5 GLU CA C 5 56.689 56.689 55.424 1.265 19479 6027 1 16 . 1 1 5 5 GLU CB C 5 30.297 30.297 30.654 -0.357 19479 6028 1 16 . 1 1 5 5 GLU H H 5 8.465 8.465 8.684 -0.219 19479 6029 1 16 . 1 1 6 6 ALA N N 6 124.915 124.915 123.331 1.584 19479 6030 1 16 . 1 1 6 6 ALA HA H 6 4.301 4.301 4.492 -0.191 19479 6031 1 16 . 1 1 6 6 ALA CA C 6 52.392 52.392 51.575 0.817 19479 6032 1 16 . 1 1 6 6 ALA CB C 6 19.520 19.520 20.117 -0.597 19479 6033 1 16 . 1 1 6 6 ALA H H 6 8.333 8.333 7.744 0.589 19479 6034 1 16 . 1 1 7 7 GLN N N 7 120.476 120.476 118.562 1.914 19479 6035 1 16 . 1 1 7 7 GLN HA H 7 4.275 4.275 4.439 -0.164 19479 6036 1 16 . 1 1 7 7 GLN CA C 7 55.512 55.512 54.944 0.568 19479 6037 1 16 . 1 1 7 7 GLN CB C 7 29.495 29.495 29.642 -0.146 19479 6038 1 16 . 1 1 7 7 GLN H H 7 8.340 8.340 8.408 -0.068 19479 6039 1 16 . 1 1 8 8 TYR N N 8 124.499 124.499 121.162 3.337 19479 6040 1 16 . 1 1 8 8 TYR HA H 8 4.386 4.386 4.337 0.049 19479 6041 1 16 . 1 1 8 8 TYR CA C 8 60.233 60.233 58.439 1.794 19479 6042 1 16 . 1 1 8 8 TYR CB C 8 38.173 38.173 38.502 -0.329 19479 6043 1 16 . 1 1 8 8 TYR H H 8 8.506 8.506 8.441 0.065 19479 6044 1 16 . 1 1 9 9 VAL N N 9 130.011 130.011 129.441 0.570 19479 6045 1 16 . 1 1 9 9 VAL HA H 9 3.748 3.748 3.943 -0.195 19479 6046 1 16 . 1 1 9 9 VAL CA C 9 61.317 61.317 61.233 0.084 19479 6047 1 16 . 1 1 9 9 VAL CB C 9 34.738 34.738 34.871 -0.133 19479 6048 1 16 . 1 1 9 9 VAL H H 9 6.756 6.756 8.512 -1.756 19479 6049 1 16 . 1 1 10 10 ALA N N 10 130.264 130.264 131.874 -1.610 19479 6050 1 16 . 1 1 10 10 ALA HA H 10 4.172 4.172 4.507 -0.335 19479 6051 1 16 . 1 1 10 10 ALA CA C 10 50.602 50.602 50.634 -0.032 19479 6052 1 16 . 1 1 10 10 ALA CB C 10 17.676 17.676 18.090 -0.413 19479 6053 1 16 . 1 1 10 10 ALA H H 10 8.125 8.125 8.113 0.012 19479 6054 1 16 . 1 1 11 11 PRO HA H 11 4.186 4.186 4.219 -0.033 19479 6055 1 16 . 1 1 11 11 PRO CA C 11 63.808 63.808 63.229 0.579 19479 6056 1 16 . 1 1 11 11 PRO CB C 11 32.674 32.674 31.846 0.828 19479 6057 1 16 . 1 1 12 12 THR N N 12 113.591 113.591 114.249 -0.658 19479 6058 1 16 . 1 1 12 12 THR HA H 12 4.469 4.469 4.317 0.152 19479 6059 1 16 . 1 1 12 12 THR CA C 12 61.950 61.950 62.108 -0.158 19479 6060 1 16 . 1 1 12 12 THR CB C 12 71.622 71.622 69.896 1.726 19479 6061 1 16 . 1 1 12 12 THR H H 12 9.701 9.701 8.447 1.254 19479 6062 1 16 . 1 1 13 13 ASN N N 13 116.088 116.088 120.739 -4.651 19479 6063 1 16 . 1 1 13 13 ASN HA H 13 4.771 4.771 4.910 -0.139 19479 6064 1 16 . 1 1 13 13 ASN CA C 13 51.947 51.947 52.190 -0.243 19479 6065 1 16 . 1 1 13 13 ASN CB C 13 39.736 39.736 40.788 -1.052 19479 6066 1 16 . 1 1 13 13 ASN H H 13 7.423 7.423 7.614 -0.191 19479 6067 1 16 . 1 1 14 14 ALA HA H 14 4.136 4.136 4.040 0.096 19479 6068 1 16 . 1 1 14 14 ALA CA C 14 55.484 55.484 54.824 0.660 19479 6069 1 16 . 1 1 14 14 ALA CB C 14 19.020 19.020 18.378 0.642 19479 6070 1 16 . 1 1 15 15 VAL N N 15 120.332 120.332 118.254 2.078 19479 6071 1 16 . 1 1 15 15 VAL HA H 15 4.191 4.191 3.789 0.402 19479 6072 1 16 . 1 1 15 15 VAL CA C 15 65.158 65.158 65.879 -0.721 19479 6073 1 16 . 1 1 15 15 VAL CB C 15 31.513 31.513 30.990 0.523 19479 6074 1 16 . 1 1 15 15 VAL H H 15 7.938 7.938 8.191 -0.253 19479 6075 1 16 . 1 1 16 16 GLU N N 16 118.751 118.751 119.942 -1.191 19479 6076 1 16 . 1 1 16 16 GLU HA H 16 3.550 3.550 3.903 -0.353 19479 6077 1 16 . 1 1 16 16 GLU CA C 16 59.495 59.495 59.522 -0.027 19479 6078 1 16 . 1 1 16 16 GLU CB C 16 30.851 30.851 28.975 1.876 19479 6079 1 16 . 1 1 16 16 GLU H H 16 8.470 8.470 7.781 0.689 19479 6080 1 16 . 1 1 17 17 SER N N 17 112.637 112.637 115.734 -3.097 19479 6081 1 16 . 1 1 17 17 SER HA H 17 3.968 3.968 4.075 -0.107 19479 6082 1 16 . 1 1 17 17 SER CA C 17 62.523 62.523 61.571 0.952 19479 6083 1 16 . 1 1 17 17 SER CB C 17 62.669 62.669 62.792 -0.123 19479 6084 1 16 . 1 1 17 17 SER H H 17 8.386 8.386 8.025 0.361 19479 6085 1 16 . 1 1 18 18 LYS N N 18 124.394 124.394 120.820 3.574 19479 6086 1 16 . 1 1 18 18 LYS HA H 18 4.287 4.287 4.070 0.217 19479 6087 1 16 . 1 1 18 18 LYS CA C 18 57.421 57.421 58.787 -1.366 19479 6088 1 16 . 1 1 18 18 LYS CB C 18 30.018 30.018 32.107 -2.089 19479 6089 1 16 . 1 1 18 18 LYS H H 18 8.104 8.104 7.523 0.581 19479 6090 1 16 . 1 1 19 19 LEU N N 19 118.589 118.589 119.906 -1.317 19479 6091 1 16 . 1 1 19 19 LEU HA H 19 4.027 4.027 4.001 0.026 19479 6092 1 16 . 1 1 19 19 LEU CA C 19 58.178 58.178 58.514 -0.336 19479 6093 1 16 . 1 1 19 19 LEU CB C 19 42.135 42.135 41.589 0.546 19479 6094 1 16 . 1 1 19 19 LEU H H 19 8.742 8.742 7.725 1.017 19479 6095 1 16 . 1 1 20 20 ALA N N 20 121.037 121.037 120.425 0.612 19479 6096 1 16 . 1 1 20 20 ALA HA H 20 3.775 3.775 3.592 0.183 19479 6097 1 16 . 1 1 20 20 ALA CA C 20 56.194 56.194 54.977 1.217 19479 6098 1 16 . 1 1 20 20 ALA CB C 20 16.862 16.862 18.003 -1.141 19479 6099 1 16 . 1 1 20 20 ALA H H 20 8.199 8.199 8.358 -0.159 19479 6100 1 16 . 1 1 21 21 GLU N N 21 118.948 118.948 117.726 1.222 19479 6101 1 16 . 1 1 21 21 GLU HA H 21 4.129 4.129 4.152 -0.023 19479 6102 1 16 . 1 1 21 21 GLU CA C 21 59.788 59.788 59.178 0.610 19479 6103 1 16 . 1 1 21 21 GLU CB C 21 29.887 29.887 29.607 0.280 19479 6104 1 16 . 1 1 21 21 GLU H H 21 7.716 7.716 7.598 0.117 19479 6105 1 16 . 1 1 22 22 ILE N N 22 120.355 120.355 119.907 0.448 19479 6106 1 16 . 1 1 22 22 ILE HA H 22 3.780 3.780 3.928 -0.148 19479 6107 1 16 . 1 1 22 22 ILE CA C 22 65.850 65.850 62.900 2.950 19479 6108 1 16 . 1 1 22 22 ILE CB C 22 38.677 38.677 36.716 1.961 19479 6109 1 16 . 1 1 22 22 ILE H H 22 8.409 8.409 7.392 1.017 19479 6110 1 16 . 1 1 23 23 TRP N N 23 120.272 120.272 120.378 -0.106 19479 6111 1 16 . 1 1 23 23 TRP HA H 23 4.191 4.191 4.361 -0.170 19479 6112 1 16 . 1 1 23 23 TRP CA C 23 61.819 61.819 60.848 0.971 19479 6113 1 16 . 1 1 23 23 TRP CB C 23 29.177 29.177 28.329 0.848 19479 6114 1 16 . 1 1 23 23 TRP H H 23 9.551 9.551 7.939 1.613 19479 6115 1 16 . 1 1 24 24 GLU N N 24 119.281 119.281 119.121 0.160 19479 6116 1 16 . 1 1 24 24 GLU HA H 24 4.210 4.210 4.161 0.049 19479 6117 1 16 . 1 1 24 24 GLU CA C 24 60.695 60.695 59.417 1.278 19479 6118 1 16 . 1 1 24 24 GLU CB C 24 29.397 29.397 29.325 0.072 19479 6119 1 16 . 1 1 24 24 GLU H H 24 9.039 9.039 7.796 1.243 19479 6120 1 16 . 1 1 25 25 ARG N N 25 119.408 119.408 117.980 1.428 19479 6121 1 16 . 1 1 25 25 ARG HA H 25 4.205 4.205 4.154 0.051 19479 6122 1 16 . 1 1 25 25 ARG CA C 25 59.015 59.015 58.637 0.378 19479 6123 1 16 . 1 1 25 25 ARG CB C 25 30.246 30.246 30.367 -0.121 19479 6124 1 16 . 1 1 25 25 ARG H H 25 8.060 8.060 7.473 0.587 19479 6125 1 16 . 1 1 26 26 VAL N N 26 119.220 119.220 118.763 0.457 19479 6126 1 16 . 1 1 26 26 VAL HA H 26 3.782 3.782 3.901 -0.119 19479 6127 1 16 . 1 1 26 26 VAL CA C 26 65.845 65.845 65.456 0.389 19479 6128 1 16 . 1 1 26 26 VAL CB C 26 32.717 32.717 32.152 0.565 19479 6129 1 16 . 1 1 26 26 VAL H H 26 8.475 8.475 7.609 0.866 19479 6130 1 16 . 1 1 27 27 LEU N N 27 116.095 116.095 116.780 -0.685 19479 6131 1 16 . 1 1 27 27 LEU HA H 27 4.018 4.018 3.919 0.099 19479 6132 1 16 . 1 1 27 27 LEU CA C 27 55.757 55.757 56.639 -0.882 19479 6133 1 16 . 1 1 27 27 LEU CB C 27 42.504 42.504 42.093 0.411 19479 6134 1 16 . 1 1 27 27 LEU H H 27 9.005 9.005 8.475 0.530 19479 6135 1 16 . 1 1 28 28 GLY N N 28 108.722 108.722 106.026 2.696 19479 6136 1 16 . 1 1 28 28 GLY CA C 28 46.721 46.721 45.371 1.350 19479 6137 1 16 . 1 1 28 28 GLY H H 28 8.056 8.056 7.732 0.324 19479 6138 1 16 . 1 1 29 29 VAL N N 29 115.103 115.103 117.727 -2.624 19479 6139 1 16 . 1 1 29 29 VAL HA H 29 4.457 4.457 4.487 -0.030 19479 6140 1 16 . 1 1 29 29 VAL CA C 29 59.845 59.845 59.729 0.116 19479 6141 1 16 . 1 1 29 29 VAL CB C 29 35.477 35.477 34.667 0.810 19479 6142 1 16 . 1 1 29 29 VAL H H 29 7.044 7.044 7.495 -0.451 19479 6143 1 16 . 1 1 30 30 SER N N 30 115.417 115.417 115.554 -0.137 19479 6144 1 16 . 1 1 30 30 SER HA H 30 4.683 4.683 4.677 0.006 19479 6145 1 16 . 1 1 30 30 SER CA C 30 56.970 56.970 57.400 -0.430 19479 6146 1 16 . 1 1 30 30 SER CB C 30 65.294 65.294 64.462 0.832 19479 6147 1 16 . 1 1 30 30 SER H H 30 8.151 8.151 8.235 -0.084 19479 6148 1 16 . 1 1 31 31 GLY N N 31 112.008 112.008 113.563 -1.555 19479 6149 1 16 . 1 1 31 31 GLY CA C 31 46.545 46.545 44.748 1.797 19479 6150 1 16 . 1 1 31 31 GLY H H 31 8.573 8.573 9.038 -0.465 19479 6151 1 16 . 1 1 32 32 ILE N N 32 121.204 121.204 121.922 -0.718 19479 6152 1 16 . 1 1 32 32 ILE HA H 32 3.898 3.898 4.073 -0.175 19479 6153 1 16 . 1 1 32 32 ILE CA C 32 63.126 63.126 60.169 2.957 19479 6154 1 16 . 1 1 32 32 ILE CB C 32 38.993 38.993 37.122 1.871 19479 6155 1 16 . 1 1 32 32 ILE H H 32 8.241 8.241 8.396 -0.155 19479 6156 1 16 . 1 1 33 33 GLY N N 33 115.038 115.038 114.330 0.708 19479 6157 1 16 . 1 1 33 33 GLY CA C 33 44.330 44.330 43.731 0.599 19479 6158 1 16 . 1 1 33 33 GLY H H 33 8.760 8.760 8.109 0.651 19479 6159 1 16 . 1 1 34 34 ILE N N 34 110.067 110.067 118.789 -8.722 19479 6160 1 16 . 1 1 34 34 ILE HA H 34 4.017 4.017 3.905 0.112 19479 6161 1 16 . 1 1 34 34 ILE CA C 34 64.500 64.500 64.297 0.203 19479 6162 1 16 . 1 1 34 34 ILE CB C 34 37.731 37.731 38.002 -0.271 19479 6163 1 16 . 1 1 34 34 ILE H H 34 8.566 8.566 8.719 -0.152 19479 6164 1 16 . 1 1 35 35 LEU N N 35 117.052 117.052 112.691 4.361 19479 6165 1 16 . 1 1 35 35 LEU HA H 35 4.692 4.692 4.728 -0.036 19479 6166 1 16 . 1 1 35 35 LEU CA C 35 53.247 53.247 53.146 0.101 19479 6167 1 16 . 1 1 35 35 LEU CB C 35 42.094 42.094 41.319 0.775 19479 6168 1 16 . 1 1 35 35 LEU H H 35 8.191 8.191 7.792 0.399 19479 6169 1 16 . 1 1 36 36 ASP N N 36 121.535 121.535 122.250 -0.715 19479 6170 1 16 . 1 1 36 36 ASP HA H 36 4.387 4.387 4.584 -0.197 19479 6171 1 16 . 1 1 36 36 ASP CA C 36 55.244 55.244 54.470 0.774 19479 6172 1 16 . 1 1 36 36 ASP CB C 36 41.170 41.170 41.919 -0.749 19479 6173 1 16 . 1 1 36 36 ASP H H 36 7.098 7.098 7.499 -0.401 19479 6174 1 16 . 1 1 37 37 ASN N N 37 123.266 123.266 125.103 -1.837 19479 6175 1 16 . 1 1 37 37 ASN HA H 37 4.954 4.954 5.028 -0.074 19479 6176 1 16 . 1 1 37 37 ASN CA C 37 53.319 53.319 53.371 -0.052 19479 6177 1 16 . 1 1 37 37 ASN CB C 37 39.610 39.610 39.348 0.262 19479 6178 1 16 . 1 1 37 37 ASN H H 37 9.116 9.116 8.567 0.549 19479 6179 1 16 . 1 1 38 38 PHE N N 38 126.469 126.469 127.990 -1.521 19479 6180 1 16 . 1 1 38 38 PHE HA H 38 3.393 3.393 3.723 -0.330 19479 6181 1 16 . 1 1 38 38 PHE CA C 38 61.965 61.965 62.023 -0.058 19479 6182 1 16 . 1 1 38 38 PHE CB C 38 40.851 40.851 38.589 2.262 19479 6183 1 16 . 1 1 38 38 PHE H H 38 9.344 9.344 9.029 0.315 19479 6184 1 16 . 1 1 39 39 PHE N N 39 112.189 112.189 114.406 -2.217 19479 6185 1 16 . 1 1 39 39 PHE HA H 39 3.933 3.933 4.547 -0.614 19479 6186 1 16 . 1 1 39 39 PHE CA C 39 59.682 59.682 60.031 -0.349 19479 6187 1 16 . 1 1 39 39 PHE CB C 39 38.040 38.040 38.470 -0.430 19479 6188 1 16 . 1 1 39 39 PHE H H 39 8.052 8.052 7.739 0.313 19479 6189 1 16 . 1 1 40 40 GLN N N 40 119.928 119.928 119.248 0.680 19479 6190 1 16 . 1 1 40 40 GLN HA H 40 4.392 4.392 4.161 0.231 19479 6191 1 16 . 1 1 40 40 GLN CA C 40 57.191 57.191 57.778 -0.587 19479 6192 1 16 . 1 1 40 40 GLN CB C 40 29.466 29.466 28.065 1.401 19479 6193 1 16 . 1 1 40 40 GLN H H 40 8.297 8.297 7.667 0.630 19479 6194 1 16 . 1 1 41 41 ILE N N 41 110.997 110.997 117.286 -6.289 19479 6195 1 16 . 1 1 41 41 ILE HA H 41 4.493 4.493 3.868 0.625 19479 6196 1 16 . 1 1 41 41 ILE CA C 41 61.348 61.348 62.827 -1.479 19479 6197 1 16 . 1 1 41 41 ILE CB C 41 37.882 37.882 38.450 -0.568 19479 6198 1 16 . 1 1 41 41 ILE H H 41 7.133 7.133 7.985 -0.852 19479 6199 1 16 . 1 1 42 42 GLY N N 42 106.355 106.355 105.368 0.987 19479 6200 1 16 . 1 1 42 42 GLY CA C 42 44.679 44.679 44.511 0.168 19479 6201 1 16 . 1 1 42 42 GLY H H 42 7.433 7.433 7.172 0.261 19479 6202 1 16 . 1 1 43 43 GLY N N 43 107.808 107.808 108.427 -0.619 19479 6203 1 16 . 1 1 43 43 GLY CA C 43 45.389 45.389 44.098 1.291 19479 6204 1 16 . 1 1 43 43 GLY H H 43 7.826 7.826 7.442 0.384 19479 6205 1 16 . 1 1 44 44 HIS N N 44 112.337 112.337 116.348 -4.011 19479 6206 1 16 . 1 1 44 44 HIS HA H 44 4.979 4.979 5.042 -0.063 19479 6207 1 16 . 1 1 44 44 HIS CA C 44 54.773 54.773 54.954 -0.181 19479 6208 1 16 . 1 1 44 44 HIS CB C 44 31.867 31.867 30.897 0.970 19479 6209 1 16 . 1 1 44 44 HIS H H 44 6.369 6.369 7.811 -1.442 19479 6210 1 16 . 1 1 45 45 ALA HA H 45 4.264 4.264 4.213 0.051 19479 6211 1 16 . 1 1 45 45 ALA CA C 45 57.581 57.581 55.603 1.978 19479 6212 1 16 . 1 1 45 45 ALA CB C 45 18.718 18.718 18.340 0.378 19479 6213 1 16 . 1 1 46 46 LEU N N 46 117.791 117.791 118.248 -0.457 19479 6214 1 16 . 1 1 46 46 LEU HA H 46 4.420 4.420 4.089 0.331 19479 6215 1 16 . 1 1 46 46 LEU CA C 46 58.559 58.559 58.276 0.283 19479 6216 1 16 . 1 1 46 46 LEU CB C 46 41.652 41.652 42.067 -0.415 19479 6217 1 16 . 1 1 46 46 LEU H H 46 8.807 8.807 8.480 0.327 19479 6218 1 16 . 1 1 47 47 LYS N N 47 118.822 118.822 117.904 0.918 19479 6219 1 16 . 1 1 47 47 LYS HA H 47 4.200 4.200 3.928 0.272 19479 6220 1 16 . 1 1 47 47 LYS CA C 47 58.352 58.352 58.160 0.192 19479 6221 1 16 . 1 1 47 47 LYS CB C 47 32.994 32.994 31.422 1.573 19479 6222 1 16 . 1 1 47 47 LYS H H 47 7.589 7.589 7.220 0.369 19479 6223 1 16 . 1 1 48 48 ALA N N 48 122.769 122.769 123.023 -0.254 19479 6224 1 16 . 1 1 48 48 ALA HA H 48 3.575 3.575 3.634 -0.059 19479 6225 1 16 . 1 1 48 48 ALA CA C 48 55.102 55.102 55.003 0.099 19479 6226 1 16 . 1 1 48 48 ALA CB C 48 18.239 18.239 18.016 0.223 19479 6227 1 16 . 1 1 48 48 ALA H H 48 8.736 8.736 8.377 0.359 19479 6228 1 16 . 1 1 49 49 MET N N 49 116.936 116.936 116.665 0.271 19479 6229 1 16 . 1 1 49 49 MET HA H 49 4.169 4.169 4.014 0.155 19479 6230 1 16 . 1 1 49 49 MET CA C 49 58.869 58.869 58.808 0.061 19479 6231 1 16 . 1 1 49 49 MET CB C 49 32.511 32.511 31.864 0.647 19479 6232 1 16 . 1 1 49 49 MET H H 49 8.000 8.000 7.984 0.016 19479 6233 1 16 . 1 1 50 50 ALA N N 50 123.686 123.686 120.298 3.388 19479 6234 1 16 . 1 1 50 50 ALA HA H 50 4.401 4.401 4.147 0.254 19479 6235 1 16 . 1 1 50 50 ALA CA C 50 55.265 55.265 54.920 0.345 19479 6236 1 16 . 1 1 50 50 ALA CB C 50 18.320 18.320 17.905 0.415 19479 6237 1 16 . 1 1 50 50 ALA H H 50 7.389 7.389 7.670 -0.281 19479 6238 1 16 . 1 1 51 51 VAL N N 51 118.885 118.885 119.980 -1.095 19479 6239 1 16 . 1 1 51 51 VAL HA H 51 3.437 3.437 3.626 -0.189 19479 6240 1 16 . 1 1 51 51 VAL CA C 51 66.975 66.975 66.173 0.802 19479 6241 1 16 . 1 1 51 51 VAL CB C 51 31.268 31.268 31.376 -0.108 19479 6242 1 16 . 1 1 51 51 VAL H H 51 7.981 7.981 7.185 0.796 19479 6243 1 16 . 1 1 52 52 ALA N N 52 121.555 121.555 122.199 -0.644 19479 6244 1 16 . 1 1 52 52 ALA HA H 52 3.990 3.990 3.883 0.107 19479 6245 1 16 . 1 1 52 52 ALA CA C 52 56.056 56.056 55.225 0.831 19479 6246 1 16 . 1 1 52 52 ALA CB C 52 18.099 18.099 18.037 0.062 19479 6247 1 16 . 1 1 52 52 ALA H H 52 8.499 8.499 8.023 0.476 19479 6248 1 16 . 1 1 53 53 ALA N N 53 121.958 121.958 119.706 2.252 19479 6249 1 16 . 1 1 53 53 ALA HA H 53 4.346 4.346 4.093 0.253 19479 6250 1 16 . 1 1 53 53 ALA CA C 53 55.454 55.454 55.028 0.426 19479 6251 1 16 . 1 1 53 53 ALA CB C 53 18.079 18.079 18.307 -0.228 19479 6252 1 16 . 1 1 53 53 ALA H H 53 8.238 8.238 7.940 0.298 19479 6253 1 16 . 1 1 54 54 GLN N N 54 118.520 118.520 117.881 0.639 19479 6254 1 16 . 1 1 54 54 GLN HA H 54 4.157 4.157 4.210 -0.053 19479 6255 1 16 . 1 1 54 54 GLN CA C 54 59.303 59.303 58.621 0.682 19479 6256 1 16 . 1 1 54 54 GLN CB C 54 28.684 28.684 28.876 -0.192 19479 6257 1 16 . 1 1 54 54 GLN H H 54 7.914 7.914 7.633 0.281 19479 6258 1 16 . 1 1 55 55 VAL N N 55 121.643 121.643 121.468 0.175 19479 6259 1 16 . 1 1 55 55 VAL HA H 55 3.673 3.673 3.943 -0.270 19479 6260 1 16 . 1 1 55 55 VAL CA C 55 67.521 67.521 66.864 0.657 19479 6261 1 16 . 1 1 55 55 VAL CB C 55 31.569 31.569 31.174 0.395 19479 6262 1 16 . 1 1 55 55 VAL H H 55 8.915 8.915 8.440 0.475 19479 6263 1 16 . 1 1 56 56 HIS N N 56 120.993 120.993 118.825 2.168 19479 6264 1 16 . 1 1 56 56 HIS HA H 56 4.314 4.314 4.725 -0.411 19479 6265 1 16 . 1 1 56 56 HIS CA C 56 60.994 60.994 58.929 2.065 19479 6266 1 16 . 1 1 56 56 HIS CB C 56 30.226 30.226 29.929 0.297 19479 6267 1 16 . 1 1 56 56 HIS H H 56 8.328 8.328 8.591 -0.263 19479 6268 1 16 . 1 1 57 57 ARG N N 57 119.241 119.241 118.032 1.209 19479 6269 1 16 . 1 1 57 57 ARG HA H 57 3.963 3.963 4.217 -0.254 19479 6270 1 16 . 1 1 57 57 ARG CA C 57 59.269 59.269 58.593 0.676 19479 6271 1 16 . 1 1 57 57 ARG CB C 57 30.220 30.220 29.970 0.251 19479 6272 1 16 . 1 1 57 57 ARG H H 57 7.849 7.849 7.612 0.237 19479 6273 1 16 . 1 1 58 58 GLU N N 58 116.079 116.079 118.931 -2.852 19479 6274 1 16 . 1 1 58 58 GLU HA H 58 3.944 3.944 4.238 -0.294 19479 6275 1 16 . 1 1 58 58 GLU CA C 58 58.351 58.351 58.059 0.291 19479 6276 1 16 . 1 1 58 58 GLU CB C 58 30.571 30.571 30.328 0.243 19479 6277 1 16 . 1 1 58 58 GLU H H 58 7.874 7.874 8.152 -0.278 19479 6278 1 16 . 1 1 59 59 TYR N N 59 112.274 112.274 117.032 -4.758 19479 6279 1 16 . 1 1 59 59 TYR HA H 59 4.686 4.686 4.513 0.173 19479 6280 1 16 . 1 1 59 59 TYR CA C 59 58.616 58.616 58.356 0.260 19479 6281 1 16 . 1 1 59 59 TYR CB C 59 40.589 40.589 38.582 2.007 19479 6282 1 16 . 1 1 59 59 TYR H H 59 8.303 8.303 8.254 0.049 19479 6283 1 16 . 1 1 60 60 GLN N N 60 115.629 115.629 114.148 1.481 19479 6284 1 16 . 1 1 60 60 GLN HA H 60 3.481 3.481 4.278 -0.797 19479 6285 1 16 . 1 1 60 60 GLN CA C 60 57.418 57.418 56.628 0.790 19479 6286 1 16 . 1 1 60 60 GLN CB C 60 25.628 25.628 26.331 -0.703 19479 6287 1 16 . 1 1 60 60 GLN H H 60 8.382 8.382 8.333 0.049 19479 6288 1 16 . 1 1 61 61 VAL N N 61 114.547 114.547 117.289 -2.742 19479 6289 1 16 . 1 1 61 61 VAL HA H 61 4.347 4.347 4.270 0.077 19479 6290 1 16 . 1 1 61 61 VAL CA C 61 60.118 60.118 60.374 -0.256 19479 6291 1 16 . 1 1 61 61 VAL CB C 61 35.547 35.547 35.802 -0.255 19479 6292 1 16 . 1 1 61 61 VAL H H 61 6.532 6.532 7.505 -0.973 19479 6293 1 16 . 1 1 62 62 GLU N N 62 125.938 125.938 128.082 -2.144 19479 6294 1 16 . 1 1 62 62 GLU HA H 62 4.270 4.270 3.594 0.676 19479 6295 1 16 . 1 1 62 62 GLU CA C 62 55.857 55.857 56.750 -0.893 19479 6296 1 16 . 1 1 62 62 GLU CB C 62 30.334 30.334 30.509 -0.176 19479 6297 1 16 . 1 1 62 62 GLU H H 62 8.741 8.741 8.357 0.384 19479 6298 1 16 . 1 1 63 63 LEU N N 63 127.837 127.837 127.423 0.414 19479 6299 1 16 . 1 1 63 63 LEU HA H 63 4.845 4.845 4.950 -0.105 19479 6300 1 16 . 1 1 63 63 LEU CA C 63 50.751 50.751 50.993 -0.242 19479 6301 1 16 . 1 1 63 63 LEU CB C 63 43.313 43.313 43.561 -0.248 19479 6302 1 16 . 1 1 63 63 LEU H H 63 8.939 8.939 8.400 0.539 19479 6303 1 16 . 1 1 64 64 PRO HA H 64 4.446 4.446 4.596 -0.150 19479 6304 1 16 . 1 1 64 64 PRO CA C 64 62.060 62.060 61.726 0.334 19479 6305 1 16 . 1 1 64 64 PRO CB C 64 32.346 32.346 33.191 -0.845 19479 6306 1 16 . 1 1 65 65 LEU N N 65 126.325 126.325 124.144 2.181 19479 6307 1 16 . 1 1 65 65 LEU HA H 65 3.772 3.772 3.991 -0.219 19479 6308 1 16 . 1 1 65 65 LEU CA C 65 58.426 58.426 57.669 0.757 19479 6309 1 16 . 1 1 65 65 LEU CB C 65 40.688 40.688 41.808 -1.120 19479 6310 1 16 . 1 1 65 65 LEU H H 65 8.746 8.746 8.784 -0.038 19479 6311 1 16 . 1 1 66 66 LYS N N 66 114.157 114.157 118.924 -4.767 19479 6312 1 16 . 1 1 66 66 LYS HA H 66 3.999 3.999 4.354 -0.355 19479 6313 1 16 . 1 1 66 66 LYS CA C 66 59.383 59.383 59.580 -0.197 19479 6314 1 16 . 1 1 66 66 LYS CB C 66 32.166 32.166 32.175 -0.009 19479 6315 1 16 . 1 1 66 66 LYS H H 66 8.551 8.551 8.548 0.003 19479 6316 1 16 . 1 1 67 67 VAL N N 67 119.827 119.827 119.402 0.425 19479 6317 1 16 . 1 1 67 67 VAL HA H 67 3.611 3.611 3.604 0.007 19479 6318 1 16 . 1 1 67 67 VAL CA C 67 65.655 65.655 65.090 0.565 19479 6319 1 16 . 1 1 67 67 VAL CB C 67 31.425 31.425 31.118 0.307 19479 6320 1 16 . 1 1 67 67 VAL H H 67 7.190 7.190 7.790 -0.600 19479 6321 1 16 . 1 1 68 68 LEU N N 68 120.867 120.867 122.680 -1.813 19479 6322 1 16 . 1 1 68 68 LEU HA H 68 3.922 3.922 3.888 0.034 19479 6323 1 16 . 1 1 68 68 LEU CA C 68 58.322 58.322 57.917 0.405 19479 6324 1 16 . 1 1 68 68 LEU CB C 68 41.911 41.911 40.937 0.974 19479 6325 1 16 . 1 1 68 68 LEU H H 68 6.936 6.936 7.306 -0.370 19479 6326 1 16 . 1 1 69 69 PHE N N 69 112.682 112.682 116.339 -3.657 19479 6327 1 16 . 1 1 69 69 PHE HA H 69 4.265 4.265 4.671 -0.406 19479 6328 1 16 . 1 1 69 69 PHE CA C 69 60.265 60.265 59.788 0.477 19479 6329 1 16 . 1 1 69 69 PHE CB C 69 38.725 38.725 38.484 0.241 19479 6330 1 16 . 1 1 69 69 PHE H H 69 8.201 8.201 8.616 -0.415 19479 6331 1 16 . 1 1 70 70 ALA N N 70 118.803 118.803 121.411 -2.608 19479 6332 1 16 . 1 1 70 70 ALA HA H 70 4.302 4.302 3.567 0.735 19479 6333 1 16 . 1 1 70 70 ALA CA C 70 54.025 54.025 53.235 0.790 19479 6334 1 16 . 1 1 70 70 ALA CB C 70 19.656 19.656 19.045 0.611 19479 6335 1 16 . 1 1 70 70 ALA H H 70 7.448 7.448 6.895 0.553 19479 6336 1 16 . 1 1 71 71 GLN N N 71 116.280 116.280 115.260 1.020 19479 6337 1 16 . 1 1 71 71 GLN HA H 71 4.848 4.848 4.767 0.081 19479 6338 1 16 . 1 1 71 71 GLN CA C 71 53.120 53.120 52.429 0.691 19479 6339 1 16 . 1 1 71 71 GLN CB C 71 29.026 29.026 29.674 -0.648 19479 6340 1 16 . 1 1 71 71 GLN H H 71 7.561 7.561 7.925 -0.364 19479 6341 1 16 . 1 1 72 72 PRO HA H 72 4.989 4.989 4.605 0.384 19479 6342 1 16 . 1 1 72 72 PRO CA C 72 64.307 64.307 63.431 0.876 19479 6343 1 16 . 1 1 72 72 PRO CB C 72 30.240 30.240 30.079 0.161 19479 6344 1 16 . 1 1 73 73 THR N N 73 109.972 109.972 111.469 -1.497 19479 6345 1 16 . 1 1 73 73 THR HA H 73 5.198 5.198 5.063 0.135 19479 6346 1 16 . 1 1 73 73 THR CA C 73 59.292 59.292 59.490 -0.198 19479 6347 1 16 . 1 1 73 73 THR CB C 73 72.314 72.314 73.137 -0.823 19479 6348 1 16 . 1 1 73 73 THR H H 73 8.303 8.303 8.004 0.299 19479 6349 1 16 . 1 1 74 74 ILE N N 74 125.105 125.105 123.735 1.370 19479 6350 1 16 . 1 1 74 74 ILE HA H 74 3.061 3.061 3.330 -0.269 19479 6351 1 16 . 1 1 74 74 ILE CA C 74 66.019 66.019 64.089 1.930 19479 6352 1 16 . 1 1 74 74 ILE CB C 74 37.443 37.443 36.737 0.706 19479 6353 1 16 . 1 1 74 74 ILE H H 74 9.908 9.908 9.057 0.851 19479 6354 1 16 . 1 1 75 75 LYS N N 75 119.445 119.445 120.591 -1.146 19479 6355 1 16 . 1 1 75 75 LYS HA H 75 3.797 3.797 4.190 -0.393 19479 6356 1 16 . 1 1 75 75 LYS CA C 75 60.205 60.205 60.128 0.077 19479 6357 1 16 . 1 1 75 75 LYS CB C 75 33.098 33.098 32.118 0.980 19479 6358 1 16 . 1 1 75 75 LYS H H 75 9.024 9.024 7.701 1.323 19479 6359 1 16 . 1 1 76 76 ALA N N 76 119.581 119.581 121.474 -1.893 19479 6360 1 16 . 1 1 76 76 ALA HA H 76 4.216 4.216 4.156 0.060 19479 6361 1 16 . 1 1 76 76 ALA CA C 76 54.809 54.809 54.864 -0.055 19479 6362 1 16 . 1 1 76 76 ALA CB C 76 19.422 19.422 18.129 1.293 19479 6363 1 16 . 1 1 76 76 ALA H H 76 7.621 7.621 7.390 0.231 19479 6364 1 16 . 1 1 77 77 LEU N N 77 121.833 121.833 119.011 2.822 19479 6365 1 16 . 1 1 77 77 LEU HA H 77 4.097 4.097 4.033 0.064 19479 6366 1 16 . 1 1 77 77 LEU CA C 77 57.612 57.612 57.569 0.043 19479 6367 1 16 . 1 1 77 77 LEU CB C 77 42.192 42.192 41.401 0.791 19479 6368 1 16 . 1 1 77 77 LEU H H 77 8.915 8.915 8.071 0.844 19479 6369 1 16 . 1 1 78 78 ALA N N 78 120.481 120.481 122.453 -1.972 19479 6370 1 16 . 1 1 78 78 ALA HA H 78 3.751 3.751 3.886 -0.135 19479 6371 1 16 . 1 1 78 78 ALA CA C 78 55.117 55.117 55.555 -0.438 19479 6372 1 16 . 1 1 78 78 ALA CB C 78 19.603 19.603 18.359 1.244 19479 6373 1 16 . 1 1 78 78 ALA H H 78 9.393 9.393 8.706 0.687 19479 6374 1 16 . 1 1 79 79 GLN N N 79 117.799 117.799 117.915 -0.116 19479 6375 1 16 . 1 1 79 79 GLN HA H 79 4.069 4.069 3.981 0.088 19479 6376 1 16 . 1 1 79 79 GLN CA C 79 58.790 58.790 58.514 0.276 19479 6377 1 16 . 1 1 79 79 GLN CB C 79 28.256 28.256 28.496 -0.240 19479 6378 1 16 . 1 1 79 79 GLN H H 79 7.179 7.179 8.021 -0.842 19479 6379 1 16 . 1 1 80 80 TYR N N 80 121.754 121.754 122.700 -0.946 19479 6380 1 16 . 1 1 80 80 TYR HA H 80 3.982 3.982 4.070 -0.088 19479 6381 1 16 . 1 1 80 80 TYR CA C 80 61.965 61.965 61.611 0.354 19479 6382 1 16 . 1 1 80 80 TYR CB C 80 38.227 38.227 38.596 -0.369 19479 6383 1 16 . 1 1 80 80 TYR H H 80 7.716 7.716 8.204 -0.488 19479 6384 1 16 . 1 1 81 81 VAL N N 81 117.864 117.864 118.841 -0.977 19479 6385 1 16 . 1 1 81 81 VAL HA H 81 3.264 3.264 3.247 0.017 19479 6386 1 16 . 1 1 81 81 VAL CA C 81 66.719 66.719 66.100 0.619 19479 6387 1 16 . 1 1 81 81 VAL CB C 81 32.032 32.032 30.880 1.152 19479 6388 1 16 . 1 1 81 81 VAL H H 81 8.536 8.536 8.487 0.049 19479 6389 1 16 . 1 1 82 82 ALA N N 82 121.044 121.044 121.999 -0.955 19479 6390 1 16 . 1 1 82 82 ALA HA H 82 3.931 3.931 4.117 -0.186 19479 6391 1 16 . 1 1 82 82 ALA CA C 82 55.130 55.130 54.845 0.285 19479 6392 1 16 . 1 1 82 82 ALA CB C 82 18.588 18.588 18.512 0.076 19479 6393 1 16 . 1 1 82 82 ALA H H 82 8.420 8.420 8.122 0.298 19479 6394 1 16 . 1 1 83 83 THR N N 83 109.020 109.020 111.896 -2.876 19479 6395 1 16 . 1 1 83 83 THR HA H 83 4.081 4.081 4.043 0.038 19479 6396 1 16 . 1 1 83 83 THR CA C 83 64.388 64.388 64.633 -0.245 19479 6397 1 16 . 1 1 83 83 THR CB C 83 69.529 69.529 68.697 0.832 19479 6398 1 16 . 1 1 83 83 THR H H 83 7.558 7.558 7.907 -0.349 19479 6399 1 16 . 1 1 84 84 ARG N N 84 119.856 119.856 119.455 0.401 19479 6400 1 16 . 1 1 84 84 ARG HA H 84 4.199 4.199 4.251 -0.052 19479 6401 1 16 . 1 1 84 84 ARG CA C 84 56.279 56.279 57.386 -1.107 19479 6402 1 16 . 1 1 84 84 ARG CB C 84 30.866 30.866 30.250 0.616 19479 6403 1 16 . 1 1 84 84 ARG H H 84 7.368 7.368 7.498 -0.130 19479 6404 1 16 . 1 1 85 85 SER N N 85 114.607 114.607 114.360 0.247 19479 6405 1 16 . 1 1 85 85 SER HA H 85 4.301 4.301 4.477 -0.176 19479 6406 1 16 . 1 1 85 85 SER CA C 85 58.927 58.927 58.610 0.317 19479 6407 1 16 . 1 1 85 85 SER CB C 85 63.778 63.778 63.536 0.242 19479 6408 1 16 . 1 1 85 85 SER H H 85 7.783 7.783 7.700 0.083 19479 6409 1 16 . 1 1 86 86 HIS HA H 86 4.608 4.608 4.429 0.179 19479 6410 1 16 . 1 1 86 86 HIS CA C 86 56.102 56.102 55.838 0.264 19479 6411 1 16 . 1 1 86 86 HIS CB C 86 30.233 30.233 30.265 -0.032 19479 6412 1 16 . 1 1 87 87 HIS N N 87 125.453 125.453 122.905 2.548 19479 6413 1 16 . 1 1 87 87 HIS HA H 87 4.421 4.421 4.406 0.015 19479 6414 1 16 . 1 1 87 87 HIS CA C 87 57.381 57.381 55.592 1.789 19479 6415 1 16 . 1 1 87 87 HIS CB C 87 30.430 30.430 31.640 -1.210 19479 6416 1 16 . 1 1 87 87 HIS H H 87 8.102 8.102 8.857 -0.755 19479 6417 1 17 . 1 1 3 3 VAL HA H 3 4.160 4.160 4.180 -0.020 19479 6418 1 17 . 1 1 3 3 VAL CA C 3 63.130 63.130 63.034 0.096 19479 6419 1 17 . 1 1 3 3 VAL CB C 3 32.605 32.605 33.028 -0.423 19479 6420 1 17 . 1 1 4 4 THR N N 4 117.074 117.074 116.878 0.196 19479 6421 1 17 . 1 1 4 4 THR HA H 4 4.454 4.454 4.524 -0.070 19479 6422 1 17 . 1 1 4 4 THR CA C 4 61.454 61.454 60.758 0.695 19479 6423 1 17 . 1 1 4 4 THR CB C 4 70.203 70.203 71.645 -1.442 19479 6424 1 17 . 1 1 4 4 THR H H 4 8.269 8.269 7.876 0.393 19479 6425 1 17 . 1 1 5 5 GLU N N 5 122.628 122.628 124.080 -1.452 19479 6426 1 17 . 1 1 5 5 GLU HA H 5 4.305 4.305 4.216 0.089 19479 6427 1 17 . 1 1 5 5 GLU CA C 5 56.689 56.689 57.743 -1.054 19479 6428 1 17 . 1 1 5 5 GLU CB C 5 30.297 30.297 29.125 1.172 19479 6429 1 17 . 1 1 5 5 GLU H H 5 8.465 8.465 9.039 -0.574 19479 6430 1 17 . 1 1 6 6 ALA N N 6 124.915 124.915 119.027 5.888 19479 6431 1 17 . 1 1 6 6 ALA HA H 6 4.301 4.301 4.412 -0.111 19479 6432 1 17 . 1 1 6 6 ALA CA C 6 52.392 52.392 51.978 0.414 19479 6433 1 17 . 1 1 6 6 ALA CB C 6 19.520 19.520 19.369 0.151 19479 6434 1 17 . 1 1 6 6 ALA H H 6 8.333 8.333 7.645 0.688 19479 6435 1 17 . 1 1 7 7 GLN N N 7 120.476 120.476 118.803 1.673 19479 6436 1 17 . 1 1 7 7 GLN HA H 7 4.275 4.275 4.171 0.104 19479 6437 1 17 . 1 1 7 7 GLN CA C 7 55.512 55.512 55.748 -0.236 19479 6438 1 17 . 1 1 7 7 GLN CB C 7 29.495 29.495 28.991 0.504 19479 6439 1 17 . 1 1 7 7 GLN H H 7 8.340 8.340 7.470 0.870 19479 6440 1 17 . 1 1 8 8 TYR N N 8 124.499 124.499 124.255 0.244 19479 6441 1 17 . 1 1 8 8 TYR HA H 8 4.386 4.386 4.385 0.001 19479 6442 1 17 . 1 1 8 8 TYR CA C 8 60.233 60.233 58.942 1.291 19479 6443 1 17 . 1 1 8 8 TYR CB C 8 38.173 38.173 38.486 -0.313 19479 6444 1 17 . 1 1 8 8 TYR H H 8 8.506 8.506 8.451 0.055 19479 6445 1 17 . 1 1 9 9 VAL N N 9 130.011 130.011 129.762 0.249 19479 6446 1 17 . 1 1 9 9 VAL HA H 9 3.748 3.748 3.851 -0.103 19479 6447 1 17 . 1 1 9 9 VAL CA C 9 61.317 61.317 60.991 0.326 19479 6448 1 17 . 1 1 9 9 VAL CB C 9 34.738 34.738 34.975 -0.237 19479 6449 1 17 . 1 1 9 9 VAL H H 9 6.756 6.756 8.112 -1.356 19479 6450 1 17 . 1 1 10 10 ALA N N 10 130.264 130.264 131.026 -0.762 19479 6451 1 17 . 1 1 10 10 ALA HA H 10 4.172 4.172 4.680 -0.508 19479 6452 1 17 . 1 1 10 10 ALA CA C 10 50.602 50.602 49.797 0.805 19479 6453 1 17 . 1 1 10 10 ALA CB C 10 17.676 17.676 18.402 -0.726 19479 6454 1 17 . 1 1 10 10 ALA H H 10 8.125 8.125 7.983 0.142 19479 6455 1 17 . 1 1 11 11 PRO HA H 11 4.186 4.186 4.163 0.023 19479 6456 1 17 . 1 1 11 11 PRO CA C 11 63.808 63.808 63.097 0.710 19479 6457 1 17 . 1 1 11 11 PRO CB C 11 32.674 32.674 32.164 0.510 19479 6458 1 17 . 1 1 12 12 THR N N 12 113.591 113.591 118.094 -4.503 19479 6459 1 17 . 1 1 12 12 THR HA H 12 4.469 4.469 4.330 0.139 19479 6460 1 17 . 1 1 12 12 THR CA C 12 61.950 61.950 61.907 0.043 19479 6461 1 17 . 1 1 12 12 THR CB C 12 71.622 71.622 70.203 1.419 19479 6462 1 17 . 1 1 12 12 THR H H 12 9.701 9.701 8.845 0.856 19479 6463 1 17 . 1 1 13 13 ASN N N 13 116.088 116.088 120.194 -4.106 19479 6464 1 17 . 1 1 13 13 ASN HA H 13 4.771 4.771 4.877 -0.106 19479 6465 1 17 . 1 1 13 13 ASN CA C 13 51.947 51.947 52.602 -0.655 19479 6466 1 17 . 1 1 13 13 ASN CB C 13 39.736 39.736 41.424 -1.688 19479 6467 1 17 . 1 1 13 13 ASN H H 13 7.423 7.423 8.132 -0.709 19479 6468 1 17 . 1 1 14 14 ALA HA H 14 4.136 4.136 4.203 -0.067 19479 6469 1 17 . 1 1 14 14 ALA CA C 14 55.484 55.484 54.667 0.817 19479 6470 1 17 . 1 1 14 14 ALA CB C 14 19.020 19.020 18.974 0.046 19479 6471 1 17 . 1 1 15 15 VAL N N 15 120.332 120.332 118.491 1.841 19479 6472 1 17 . 1 1 15 15 VAL HA H 15 4.191 4.191 3.648 0.543 19479 6473 1 17 . 1 1 15 15 VAL CA C 15 65.158 65.158 67.146 -1.988 19479 6474 1 17 . 1 1 15 15 VAL CB C 15 31.513 31.513 31.571 -0.058 19479 6475 1 17 . 1 1 15 15 VAL H H 15 7.938 7.938 8.865 -0.927 19479 6476 1 17 . 1 1 16 16 GLU N N 16 118.751 118.751 119.860 -1.109 19479 6477 1 17 . 1 1 16 16 GLU HA H 16 3.550 3.550 3.814 -0.264 19479 6478 1 17 . 1 1 16 16 GLU CA C 16 59.495 59.495 59.767 -0.272 19479 6479 1 17 . 1 1 16 16 GLU CB C 16 30.851 30.851 28.958 1.893 19479 6480 1 17 . 1 1 16 16 GLU H H 16 8.470 8.470 8.396 0.074 19479 6481 1 17 . 1 1 17 17 SER N N 17 112.637 112.637 115.546 -2.909 19479 6482 1 17 . 1 1 17 17 SER HA H 17 3.968 3.968 3.966 0.002 19479 6483 1 17 . 1 1 17 17 SER CA C 17 62.523 62.523 61.719 0.804 19479 6484 1 17 . 1 1 17 17 SER CB C 17 62.669 62.669 62.961 -0.292 19479 6485 1 17 . 1 1 17 17 SER H H 17 8.386 8.386 7.892 0.494 19479 6486 1 17 . 1 1 18 18 LYS N N 18 124.394 124.394 121.180 3.214 19479 6487 1 17 . 1 1 18 18 LYS HA H 18 4.287 4.287 4.102 0.185 19479 6488 1 17 . 1 1 18 18 LYS CA C 18 57.421 57.421 58.854 -1.433 19479 6489 1 17 . 1 1 18 18 LYS CB C 18 30.018 30.018 32.222 -2.204 19479 6490 1 17 . 1 1 18 18 LYS H H 18 8.104 8.104 7.755 0.349 19479 6491 1 17 . 1 1 19 19 LEU N N 19 118.589 118.589 119.738 -1.149 19479 6492 1 17 . 1 1 19 19 LEU HA H 19 4.027 4.027 4.090 -0.063 19479 6493 1 17 . 1 1 19 19 LEU CA C 19 58.178 58.178 58.293 -0.115 19479 6494 1 17 . 1 1 19 19 LEU CB C 19 42.135 42.135 41.510 0.625 19479 6495 1 17 . 1 1 19 19 LEU H H 19 8.742 8.742 8.005 0.737 19479 6496 1 17 . 1 1 20 20 ALA N N 20 121.037 121.037 121.081 -0.044 19479 6497 1 17 . 1 1 20 20 ALA HA H 20 3.775 3.775 3.566 0.209 19479 6498 1 17 . 1 1 20 20 ALA CA C 20 56.194 56.194 55.075 1.119 19479 6499 1 17 . 1 1 20 20 ALA CB C 20 16.862 16.862 17.883 -1.021 19479 6500 1 17 . 1 1 20 20 ALA H H 20 8.199 8.199 8.359 -0.160 19479 6501 1 17 . 1 1 21 21 GLU N N 21 118.948 118.948 119.154 -0.206 19479 6502 1 17 . 1 1 21 21 GLU HA H 21 4.129 4.129 4.274 -0.145 19479 6503 1 17 . 1 1 21 21 GLU CA C 21 59.788 59.788 59.565 0.223 19479 6504 1 17 . 1 1 21 21 GLU CB C 21 29.887 29.887 29.717 0.170 19479 6505 1 17 . 1 1 21 21 GLU H H 21 7.716 7.716 7.933 -0.217 19479 6506 1 17 . 1 1 22 22 ILE N N 22 120.355 120.355 119.361 0.994 19479 6507 1 17 . 1 1 22 22 ILE HA H 22 3.780 3.780 3.915 -0.135 19479 6508 1 17 . 1 1 22 22 ILE CA C 22 65.850 65.850 63.566 2.284 19479 6509 1 17 . 1 1 22 22 ILE CB C 22 38.677 38.677 36.794 1.883 19479 6510 1 17 . 1 1 22 22 ILE H H 22 8.409 8.409 7.712 0.697 19479 6511 1 17 . 1 1 23 23 TRP N N 23 120.272 120.272 120.306 -0.034 19479 6512 1 17 . 1 1 23 23 TRP HA H 23 4.191 4.191 4.367 -0.176 19479 6513 1 17 . 1 1 23 23 TRP CA C 23 61.819 61.819 60.957 0.862 19479 6514 1 17 . 1 1 23 23 TRP CB C 23 29.177 29.177 28.201 0.976 19479 6515 1 17 . 1 1 23 23 TRP H H 23 9.551 9.551 8.206 1.345 19479 6516 1 17 . 1 1 24 24 GLU N N 24 119.281 119.281 119.048 0.233 19479 6517 1 17 . 1 1 24 24 GLU HA H 24 4.210 4.210 4.090 0.120 19479 6518 1 17 . 1 1 24 24 GLU CA C 24 60.695 60.695 59.792 0.903 19479 6519 1 17 . 1 1 24 24 GLU CB C 24 29.397 29.397 29.315 0.082 19479 6520 1 17 . 1 1 24 24 GLU H H 24 9.039 9.039 7.937 1.102 19479 6521 1 17 . 1 1 25 25 ARG N N 25 119.408 119.408 118.773 0.635 19479 6522 1 17 . 1 1 25 25 ARG HA H 25 4.205 4.205 4.159 0.046 19479 6523 1 17 . 1 1 25 25 ARG CA C 25 59.015 59.015 58.420 0.594 19479 6524 1 17 . 1 1 25 25 ARG CB C 25 30.246 30.246 29.864 0.382 19479 6525 1 17 . 1 1 25 25 ARG H H 25 8.060 8.060 7.843 0.217 19479 6526 1 17 . 1 1 26 26 VAL N N 26 119.220 119.220 118.546 0.674 19479 6527 1 17 . 1 1 26 26 VAL HA H 26 3.782 3.782 3.993 -0.211 19479 6528 1 17 . 1 1 26 26 VAL CA C 26 65.845 65.845 64.659 1.186 19479 6529 1 17 . 1 1 26 26 VAL CB C 26 32.717 32.717 32.005 0.712 19479 6530 1 17 . 1 1 26 26 VAL H H 26 8.475 8.475 7.922 0.553 19479 6531 1 17 . 1 1 27 27 LEU N N 27 116.095 116.095 115.653 0.442 19479 6532 1 17 . 1 1 27 27 LEU HA H 27 4.018 4.018 4.086 -0.068 19479 6533 1 17 . 1 1 27 27 LEU CA C 27 55.757 55.757 55.741 0.016 19479 6534 1 17 . 1 1 27 27 LEU CB C 27 42.504 42.504 42.240 0.264 19479 6535 1 17 . 1 1 27 27 LEU H H 27 9.005 9.005 8.302 0.703 19479 6536 1 17 . 1 1 28 28 GLY N N 28 108.722 108.722 106.413 2.309 19479 6537 1 17 . 1 1 28 28 GLY CA C 28 46.721 46.721 45.281 1.440 19479 6538 1 17 . 1 1 28 28 GLY H H 28 8.056 8.056 8.073 -0.017 19479 6539 1 17 . 1 1 29 29 VAL N N 29 115.103 115.103 116.839 -1.736 19479 6540 1 17 . 1 1 29 29 VAL HA H 29 4.457 4.457 4.679 -0.222 19479 6541 1 17 . 1 1 29 29 VAL CA C 29 59.845 59.845 59.824 0.021 19479 6542 1 17 . 1 1 29 29 VAL CB C 29 35.477 35.477 33.515 1.962 19479 6543 1 17 . 1 1 29 29 VAL H H 29 7.044 7.044 7.454 -0.410 19479 6544 1 17 . 1 1 30 30 SER N N 30 115.417 115.417 115.387 0.030 19479 6545 1 17 . 1 1 30 30 SER HA H 30 4.683 4.683 4.851 -0.168 19479 6546 1 17 . 1 1 30 30 SER CA C 30 56.970 56.970 58.113 -1.143 19479 6547 1 17 . 1 1 30 30 SER CB C 30 65.294 65.294 64.068 1.226 19479 6548 1 17 . 1 1 30 30 SER H H 30 8.151 8.151 8.180 -0.029 19479 6549 1 17 . 1 1 31 31 GLY N N 31 112.008 112.008 116.973 -4.965 19479 6550 1 17 . 1 1 31 31 GLY CA C 31 46.545 46.545 44.833 1.712 19479 6551 1 17 . 1 1 31 31 GLY H H 31 8.573 8.573 8.949 -0.376 19479 6552 1 17 . 1 1 32 32 ILE N N 32 121.204 121.204 122.219 -1.015 19479 6553 1 17 . 1 1 32 32 ILE HA H 32 3.898 3.898 4.273 -0.375 19479 6554 1 17 . 1 1 32 32 ILE CA C 32 63.126 63.126 59.567 3.559 19479 6555 1 17 . 1 1 32 32 ILE CB C 32 38.993 38.993 37.727 1.266 19479 6556 1 17 . 1 1 32 32 ILE H H 32 8.241 8.241 7.936 0.305 19479 6557 1 17 . 1 1 33 33 GLY N N 33 115.038 115.038 114.309 0.729 19479 6558 1 17 . 1 1 33 33 GLY CA C 33 44.330 44.330 43.733 0.597 19479 6559 1 17 . 1 1 33 33 GLY H H 33 8.760 8.760 8.413 0.347 19479 6560 1 17 . 1 1 34 34 ILE N N 34 110.067 110.067 120.190 -10.123 19479 6561 1 17 . 1 1 34 34 ILE HA H 34 4.017 4.017 3.848 0.169 19479 6562 1 17 . 1 1 34 34 ILE CA C 34 64.500 64.500 64.434 0.066 19479 6563 1 17 . 1 1 34 34 ILE CB C 34 37.731 37.731 37.928 -0.197 19479 6564 1 17 . 1 1 34 34 ILE H H 34 8.566 8.566 8.712 -0.146 19479 6565 1 17 . 1 1 35 35 LEU N N 35 117.052 117.052 112.619 4.433 19479 6566 1 17 . 1 1 35 35 LEU HA H 35 4.692 4.692 4.587 0.105 19479 6567 1 17 . 1 1 35 35 LEU CA C 35 53.247 53.247 53.650 -0.403 19479 6568 1 17 . 1 1 35 35 LEU CB C 35 42.094 42.094 41.090 1.004 19479 6569 1 17 . 1 1 35 35 LEU H H 35 8.191 8.191 7.908 0.283 19479 6570 1 17 . 1 1 36 36 ASP N N 36 121.535 121.535 121.708 -0.173 19479 6571 1 17 . 1 1 36 36 ASP HA H 36 4.387 4.387 4.641 -0.254 19479 6572 1 17 . 1 1 36 36 ASP CA C 36 55.244 55.244 53.843 1.401 19479 6573 1 17 . 1 1 36 36 ASP CB C 36 41.170 41.170 42.215 -1.045 19479 6574 1 17 . 1 1 36 36 ASP H H 36 7.098 7.098 7.491 -0.393 19479 6575 1 17 . 1 1 37 37 ASN N N 37 123.266 123.266 124.772 -1.506 19479 6576 1 17 . 1 1 37 37 ASN HA H 37 4.954 4.954 5.034 -0.080 19479 6577 1 17 . 1 1 37 37 ASN CA C 37 53.319 53.319 53.465 -0.146 19479 6578 1 17 . 1 1 37 37 ASN CB C 37 39.610 39.610 38.936 0.674 19479 6579 1 17 . 1 1 37 37 ASN H H 37 9.116 9.116 8.754 0.362 19479 6580 1 17 . 1 1 38 38 PHE N N 38 126.469 126.469 127.029 -0.560 19479 6581 1 17 . 1 1 38 38 PHE HA H 38 3.393 3.393 3.722 -0.329 19479 6582 1 17 . 1 1 38 38 PHE CA C 38 61.965 61.965 62.365 -0.401 19479 6583 1 17 . 1 1 38 38 PHE CB C 38 40.851 40.851 38.629 2.222 19479 6584 1 17 . 1 1 38 38 PHE H H 38 9.344 9.344 8.922 0.422 19479 6585 1 17 . 1 1 39 39 PHE N N 39 112.189 112.189 114.927 -2.738 19479 6586 1 17 . 1 1 39 39 PHE HA H 39 3.933 3.933 4.318 -0.385 19479 6587 1 17 . 1 1 39 39 PHE CA C 39 59.682 59.682 60.563 -0.881 19479 6588 1 17 . 1 1 39 39 PHE CB C 39 38.040 38.040 38.297 -0.258 19479 6589 1 17 . 1 1 39 39 PHE H H 39 8.052 8.052 8.009 0.043 19479 6590 1 17 . 1 1 40 40 GLN N N 40 119.928 119.928 119.401 0.527 19479 6591 1 17 . 1 1 40 40 GLN HA H 40 4.392 4.392 4.137 0.255 19479 6592 1 17 . 1 1 40 40 GLN CA C 40 57.191 57.191 58.217 -1.026 19479 6593 1 17 . 1 1 40 40 GLN CB C 40 29.466 29.466 28.588 0.878 19479 6594 1 17 . 1 1 40 40 GLN H H 40 8.297 8.297 7.908 0.389 19479 6595 1 17 . 1 1 41 41 ILE N N 41 110.997 110.997 116.388 -5.391 19479 6596 1 17 . 1 1 41 41 ILE HA H 41 4.493 4.493 3.870 0.623 19479 6597 1 17 . 1 1 41 41 ILE CA C 41 61.348 61.348 62.707 -1.359 19479 6598 1 17 . 1 1 41 41 ILE CB C 41 37.882 37.882 38.451 -0.569 19479 6599 1 17 . 1 1 41 41 ILE H H 41 7.133 7.133 7.827 -0.694 19479 6600 1 17 . 1 1 42 42 GLY N N 42 106.355 106.355 105.848 0.507 19479 6601 1 17 . 1 1 42 42 GLY CA C 42 44.679 44.679 44.414 0.265 19479 6602 1 17 . 1 1 42 42 GLY H H 42 7.433 7.433 7.386 0.047 19479 6603 1 17 . 1 1 43 43 GLY N N 43 107.808 107.808 108.536 -0.728 19479 6604 1 17 . 1 1 43 43 GLY CA C 43 45.389 45.389 44.009 1.380 19479 6605 1 17 . 1 1 43 43 GLY H H 43 7.826 7.826 7.698 0.128 19479 6606 1 17 . 1 1 44 44 HIS N N 44 112.337 112.337 116.703 -4.366 19479 6607 1 17 . 1 1 44 44 HIS HA H 44 4.979 4.979 4.990 -0.011 19479 6608 1 17 . 1 1 44 44 HIS CA C 44 54.773 54.773 54.919 -0.146 19479 6609 1 17 . 1 1 44 44 HIS CB C 44 31.867 31.867 30.836 1.031 19479 6610 1 17 . 1 1 44 44 HIS H H 44 6.369 6.369 8.009 -1.640 19479 6611 1 17 . 1 1 45 45 ALA HA H 45 4.264 4.264 4.240 0.024 19479 6612 1 17 . 1 1 45 45 ALA CA C 45 57.581 57.581 55.666 1.915 19479 6613 1 17 . 1 1 45 45 ALA CB C 45 18.718 18.718 18.311 0.407 19479 6614 1 17 . 1 1 46 46 LEU N N 46 117.791 117.791 118.107 -0.316 19479 6615 1 17 . 1 1 46 46 LEU HA H 46 4.420 4.420 4.092 0.328 19479 6616 1 17 . 1 1 46 46 LEU CA C 46 58.559 58.559 57.721 0.838 19479 6617 1 17 . 1 1 46 46 LEU CB C 46 41.652 41.652 42.177 -0.525 19479 6618 1 17 . 1 1 46 46 LEU H H 46 8.807 8.807 8.388 0.419 19479 6619 1 17 . 1 1 47 47 LYS N N 47 118.822 118.822 118.193 0.629 19479 6620 1 17 . 1 1 47 47 LYS HA H 47 4.200 4.200 3.957 0.243 19479 6621 1 17 . 1 1 47 47 LYS CA C 47 58.352 58.352 58.354 -0.002 19479 6622 1 17 . 1 1 47 47 LYS CB C 47 32.994 32.994 31.464 1.530 19479 6623 1 17 . 1 1 47 47 LYS H H 47 7.589 7.589 7.234 0.355 19479 6624 1 17 . 1 1 48 48 ALA N N 48 122.769 122.769 122.564 0.205 19479 6625 1 17 . 1 1 48 48 ALA HA H 48 3.575 3.575 3.461 0.114 19479 6626 1 17 . 1 1 48 48 ALA CA C 48 55.102 55.102 54.940 0.163 19479 6627 1 17 . 1 1 48 48 ALA CB C 48 18.239 18.239 17.965 0.274 19479 6628 1 17 . 1 1 48 48 ALA H H 48 8.736 8.736 8.477 0.259 19479 6629 1 17 . 1 1 49 49 MET N N 49 116.936 116.936 117.453 -0.517 19479 6630 1 17 . 1 1 49 49 MET HA H 49 4.169 4.169 3.996 0.173 19479 6631 1 17 . 1 1 49 49 MET CA C 49 58.869 58.869 59.464 -0.595 19479 6632 1 17 . 1 1 49 49 MET CB C 49 32.511 32.511 32.474 0.037 19479 6633 1 17 . 1 1 49 49 MET H H 49 8.000 8.000 7.749 0.251 19479 6634 1 17 . 1 1 50 50 ALA N N 50 123.686 123.686 122.348 1.338 19479 6635 1 17 . 1 1 50 50 ALA HA H 50 4.401 4.401 4.068 0.333 19479 6636 1 17 . 1 1 50 50 ALA CA C 50 55.265 55.265 55.319 -0.054 19479 6637 1 17 . 1 1 50 50 ALA CB C 50 18.320 18.320 17.990 0.330 19479 6638 1 17 . 1 1 50 50 ALA H H 50 7.389 7.389 7.556 -0.167 19479 6639 1 17 . 1 1 51 51 VAL N N 51 118.885 118.885 118.739 0.146 19479 6640 1 17 . 1 1 51 51 VAL HA H 51 3.437 3.437 3.634 -0.197 19479 6641 1 17 . 1 1 51 51 VAL CA C 51 66.975 66.975 65.404 1.571 19479 6642 1 17 . 1 1 51 51 VAL CB C 51 31.268 31.268 30.500 0.768 19479 6643 1 17 . 1 1 51 51 VAL H H 51 7.981 7.981 7.604 0.377 19479 6644 1 17 . 1 1 52 52 ALA N N 52 121.555 121.555 122.355 -0.800 19479 6645 1 17 . 1 1 52 52 ALA HA H 52 3.990 3.990 3.900 0.090 19479 6646 1 17 . 1 1 52 52 ALA CA C 52 56.056 56.056 55.073 0.983 19479 6647 1 17 . 1 1 52 52 ALA CB C 52 18.099 18.099 18.127 -0.027 19479 6648 1 17 . 1 1 52 52 ALA H H 52 8.499 8.499 8.124 0.375 19479 6649 1 17 . 1 1 53 53 ALA N N 53 121.958 121.958 120.952 1.006 19479 6650 1 17 . 1 1 53 53 ALA HA H 53 4.346 4.346 4.001 0.345 19479 6651 1 17 . 1 1 53 53 ALA CA C 53 55.454 55.454 54.810 0.644 19479 6652 1 17 . 1 1 53 53 ALA CB C 53 18.079 18.079 18.555 -0.476 19479 6653 1 17 . 1 1 53 53 ALA H H 53 8.238 8.238 8.003 0.235 19479 6654 1 17 . 1 1 54 54 GLN N N 54 118.520 118.520 118.191 0.329 19479 6655 1 17 . 1 1 54 54 GLN HA H 54 4.157 4.157 4.148 0.009 19479 6656 1 17 . 1 1 54 54 GLN CA C 54 59.303 59.303 58.838 0.465 19479 6657 1 17 . 1 1 54 54 GLN CB C 54 28.684 28.684 28.886 -0.202 19479 6658 1 17 . 1 1 54 54 GLN H H 54 7.914 7.914 7.656 0.258 19479 6659 1 17 . 1 1 55 55 VAL N N 55 121.643 121.643 120.614 1.029 19479 6660 1 17 . 1 1 55 55 VAL HA H 55 3.673 3.673 4.019 -0.346 19479 6661 1 17 . 1 1 55 55 VAL CA C 55 67.521 67.521 66.096 1.425 19479 6662 1 17 . 1 1 55 55 VAL CB C 55 31.569 31.569 31.466 0.103 19479 6663 1 17 . 1 1 55 55 VAL H H 55 8.915 8.915 8.673 0.242 19479 6664 1 17 . 1 1 56 56 HIS N N 56 120.993 120.993 119.876 1.117 19479 6665 1 17 . 1 1 56 56 HIS HA H 56 4.314 4.314 4.782 -0.468 19479 6666 1 17 . 1 1 56 56 HIS CA C 56 60.994 60.994 59.120 1.874 19479 6667 1 17 . 1 1 56 56 HIS CB C 56 30.226 30.226 29.882 0.344 19479 6668 1 17 . 1 1 56 56 HIS H H 56 8.328 8.328 8.185 0.143 19479 6669 1 17 . 1 1 57 57 ARG N N 57 119.241 119.241 117.836 1.405 19479 6670 1 17 . 1 1 57 57 ARG HA H 57 3.963 3.963 4.189 -0.226 19479 6671 1 17 . 1 1 57 57 ARG CA C 57 59.269 59.269 58.454 0.815 19479 6672 1 17 . 1 1 57 57 ARG CB C 57 30.220 30.220 29.893 0.327 19479 6673 1 17 . 1 1 57 57 ARG H H 57 7.849 7.849 7.608 0.241 19479 6674 1 17 . 1 1 58 58 GLU N N 58 116.079 116.079 119.176 -3.097 19479 6675 1 17 . 1 1 58 58 GLU HA H 58 3.944 3.944 4.147 -0.203 19479 6676 1 17 . 1 1 58 58 GLU CA C 58 58.351 58.351 58.807 -0.456 19479 6677 1 17 . 1 1 58 58 GLU CB C 58 30.571 30.571 30.324 0.247 19479 6678 1 17 . 1 1 58 58 GLU H H 58 7.874 7.874 8.180 -0.306 19479 6679 1 17 . 1 1 59 59 TYR N N 59 112.274 112.274 116.400 -4.126 19479 6680 1 17 . 1 1 59 59 TYR HA H 59 4.686 4.686 4.572 0.114 19479 6681 1 17 . 1 1 59 59 TYR CA C 59 58.616 58.616 58.478 0.138 19479 6682 1 17 . 1 1 59 59 TYR CB C 59 40.589 40.589 38.609 1.980 19479 6683 1 17 . 1 1 59 59 TYR H H 59 8.303 8.303 8.330 -0.027 19479 6684 1 17 . 1 1 60 60 GLN N N 60 115.629 115.629 114.956 0.673 19479 6685 1 17 . 1 1 60 60 GLN HA H 60 3.481 3.481 4.188 -0.707 19479 6686 1 17 . 1 1 60 60 GLN CA C 60 57.418 57.418 56.932 0.486 19479 6687 1 17 . 1 1 60 60 GLN CB C 60 25.628 25.628 26.353 -0.725 19479 6688 1 17 . 1 1 60 60 GLN H H 60 8.382 8.382 7.808 0.574 19479 6689 1 17 . 1 1 61 61 VAL N N 61 114.547 114.547 117.213 -2.666 19479 6690 1 17 . 1 1 61 61 VAL HA H 61 4.347 4.347 4.315 0.032 19479 6691 1 17 . 1 1 61 61 VAL CA C 61 60.118 60.118 59.970 0.148 19479 6692 1 17 . 1 1 61 61 VAL CB C 61 35.547 35.547 34.448 1.099 19479 6693 1 17 . 1 1 61 61 VAL H H 61 6.532 6.532 7.750 -1.218 19479 6694 1 17 . 1 1 62 62 GLU N N 62 125.938 125.938 128.445 -2.507 19479 6695 1 17 . 1 1 62 62 GLU HA H 62 4.270 4.270 3.417 0.853 19479 6696 1 17 . 1 1 62 62 GLU CA C 62 55.857 55.857 56.596 -0.739 19479 6697 1 17 . 1 1 62 62 GLU CB C 62 30.334 30.334 30.244 0.090 19479 6698 1 17 . 1 1 62 62 GLU H H 62 8.741 8.741 8.497 0.244 19479 6699 1 17 . 1 1 63 63 LEU N N 63 127.837 127.837 128.262 -0.425 19479 6700 1 17 . 1 1 63 63 LEU HA H 63 4.845 4.845 4.832 0.013 19479 6701 1 17 . 1 1 63 63 LEU CA C 63 50.751 50.751 50.942 -0.191 19479 6702 1 17 . 1 1 63 63 LEU CB C 63 43.313 43.313 43.483 -0.170 19479 6703 1 17 . 1 1 63 63 LEU H H 63 8.939 8.939 8.408 0.531 19479 6704 1 17 . 1 1 64 64 PRO HA H 64 4.446 4.446 4.508 -0.062 19479 6705 1 17 . 1 1 64 64 PRO CA C 64 62.060 62.060 61.946 0.114 19479 6706 1 17 . 1 1 64 64 PRO CB C 64 32.346 32.346 32.892 -0.546 19479 6707 1 17 . 1 1 65 65 LEU N N 65 126.325 126.325 122.169 4.156 19479 6708 1 17 . 1 1 65 65 LEU HA H 65 3.772 3.772 3.903 -0.131 19479 6709 1 17 . 1 1 65 65 LEU CA C 65 58.426 58.426 58.644 -0.218 19479 6710 1 17 . 1 1 65 65 LEU CB C 65 40.688 40.688 42.262 -1.574 19479 6711 1 17 . 1 1 65 65 LEU H H 65 8.746 8.746 8.722 0.024 19479 6712 1 17 . 1 1 66 66 LYS N N 66 114.157 114.157 117.695 -3.538 19479 6713 1 17 . 1 1 66 66 LYS HA H 66 3.999 3.999 4.401 -0.402 19479 6714 1 17 . 1 1 66 66 LYS CA C 66 59.383 59.383 59.136 0.247 19479 6715 1 17 . 1 1 66 66 LYS CB C 66 32.166 32.166 31.826 0.340 19479 6716 1 17 . 1 1 66 66 LYS H H 66 8.551 8.551 8.494 0.057 19479 6717 1 17 . 1 1 67 67 VAL N N 67 119.827 119.827 120.578 -0.751 19479 6718 1 17 . 1 1 67 67 VAL HA H 67 3.611 3.611 3.764 -0.153 19479 6719 1 17 . 1 1 67 67 VAL CA C 67 65.655 65.655 65.678 -0.023 19479 6720 1 17 . 1 1 67 67 VAL CB C 67 31.425 31.425 31.634 -0.209 19479 6721 1 17 . 1 1 67 67 VAL H H 67 7.190 7.190 7.814 -0.624 19479 6722 1 17 . 1 1 68 68 LEU N N 68 120.867 120.867 122.354 -1.487 19479 6723 1 17 . 1 1 68 68 LEU HA H 68 3.922 3.922 3.945 -0.023 19479 6724 1 17 . 1 1 68 68 LEU CA C 68 58.322 58.322 57.964 0.358 19479 6725 1 17 . 1 1 68 68 LEU CB C 68 41.911 41.911 41.220 0.691 19479 6726 1 17 . 1 1 68 68 LEU H H 68 6.936 6.936 7.550 -0.614 19479 6727 1 17 . 1 1 69 69 PHE N N 69 112.682 112.682 117.019 -4.337 19479 6728 1 17 . 1 1 69 69 PHE HA H 69 4.265 4.265 4.757 -0.492 19479 6729 1 17 . 1 1 69 69 PHE CA C 69 60.265 60.265 59.912 0.353 19479 6730 1 17 . 1 1 69 69 PHE CB C 69 38.725 38.725 38.645 0.079 19479 6731 1 17 . 1 1 69 69 PHE H H 69 8.201 8.201 8.707 -0.506 19479 6732 1 17 . 1 1 70 70 ALA N N 70 118.803 118.803 121.971 -3.168 19479 6733 1 17 . 1 1 70 70 ALA HA H 70 4.302 4.302 3.413 0.889 19479 6734 1 17 . 1 1 70 70 ALA CA C 70 54.025 54.025 53.334 0.691 19479 6735 1 17 . 1 1 70 70 ALA CB C 70 19.656 19.656 19.336 0.320 19479 6736 1 17 . 1 1 70 70 ALA H H 70 7.448 7.448 7.376 0.072 19479 6737 1 17 . 1 1 71 71 GLN N N 71 116.280 116.280 115.623 0.657 19479 6738 1 17 . 1 1 71 71 GLN HA H 71 4.848 4.848 4.750 0.098 19479 6739 1 17 . 1 1 71 71 GLN CA C 71 53.120 53.120 52.398 0.722 19479 6740 1 17 . 1 1 71 71 GLN CB C 71 29.026 29.026 29.940 -0.914 19479 6741 1 17 . 1 1 71 71 GLN H H 71 7.561 7.561 8.040 -0.479 19479 6742 1 17 . 1 1 72 72 PRO HA H 72 4.989 4.989 4.720 0.269 19479 6743 1 17 . 1 1 72 72 PRO CA C 72 64.307 64.307 62.874 1.433 19479 6744 1 17 . 1 1 72 72 PRO CB C 72 30.240 30.240 30.127 0.113 19479 6745 1 17 . 1 1 73 73 THR N N 73 109.972 109.972 111.341 -1.369 19479 6746 1 17 . 1 1 73 73 THR HA H 73 5.198 5.198 5.030 0.168 19479 6747 1 17 . 1 1 73 73 THR CA C 73 59.292 59.292 59.680 -0.388 19479 6748 1 17 . 1 1 73 73 THR CB C 73 72.314 72.314 72.831 -0.516 19479 6749 1 17 . 1 1 73 73 THR H H 73 8.303 8.303 8.026 0.277 19479 6750 1 17 . 1 1 74 74 ILE N N 74 125.105 125.105 123.482 1.623 19479 6751 1 17 . 1 1 74 74 ILE HA H 74 3.061 3.061 3.356 -0.295 19479 6752 1 17 . 1 1 74 74 ILE CA C 74 66.019 66.019 63.829 2.190 19479 6753 1 17 . 1 1 74 74 ILE CB C 74 37.443 37.443 36.803 0.640 19479 6754 1 17 . 1 1 74 74 ILE H H 74 9.908 9.908 9.049 0.859 19479 6755 1 17 . 1 1 75 75 LYS N N 75 119.445 119.445 120.784 -1.339 19479 6756 1 17 . 1 1 75 75 LYS HA H 75 3.797 3.797 3.903 -0.106 19479 6757 1 17 . 1 1 75 75 LYS CA C 75 60.205 60.205 60.117 0.088 19479 6758 1 17 . 1 1 75 75 LYS CB C 75 33.098 33.098 32.185 0.913 19479 6759 1 17 . 1 1 75 75 LYS H H 75 9.024 9.024 8.141 0.883 19479 6760 1 17 . 1 1 76 76 ALA N N 76 119.581 119.581 121.248 -1.667 19479 6761 1 17 . 1 1 76 76 ALA HA H 76 4.216 4.216 4.096 0.120 19479 6762 1 17 . 1 1 76 76 ALA CA C 76 54.809 54.809 54.873 -0.064 19479 6763 1 17 . 1 1 76 76 ALA CB C 76 19.422 19.422 18.306 1.116 19479 6764 1 17 . 1 1 76 76 ALA H H 76 7.621 7.621 7.310 0.311 19479 6765 1 17 . 1 1 77 77 LEU N N 77 121.833 121.833 119.081 2.752 19479 6766 1 17 . 1 1 77 77 LEU HA H 77 4.097 4.097 3.971 0.126 19479 6767 1 17 . 1 1 77 77 LEU CA C 77 57.612 57.612 57.662 -0.050 19479 6768 1 17 . 1 1 77 77 LEU CB C 77 42.192 42.192 41.267 0.926 19479 6769 1 17 . 1 1 77 77 LEU H H 77 8.915 8.915 8.153 0.762 19479 6770 1 17 . 1 1 78 78 ALA N N 78 120.481 120.481 121.557 -1.076 19479 6771 1 17 . 1 1 78 78 ALA HA H 78 3.751 3.751 3.868 -0.117 19479 6772 1 17 . 1 1 78 78 ALA CA C 78 55.117 55.117 55.247 -0.130 19479 6773 1 17 . 1 1 78 78 ALA CB C 78 19.603 19.603 18.091 1.512 19479 6774 1 17 . 1 1 78 78 ALA H H 78 9.393 9.393 8.625 0.768 19479 6775 1 17 . 1 1 79 79 GLN N N 79 117.799 117.799 118.390 -0.591 19479 6776 1 17 . 1 1 79 79 GLN HA H 79 4.069 4.069 4.044 0.025 19479 6777 1 17 . 1 1 79 79 GLN CA C 79 58.790 58.790 58.727 0.063 19479 6778 1 17 . 1 1 79 79 GLN CB C 79 28.256 28.256 28.995 -0.740 19479 6779 1 17 . 1 1 79 79 GLN H H 79 7.179 7.179 7.660 -0.481 19479 6780 1 17 . 1 1 80 80 TYR N N 80 121.754 121.754 121.598 0.156 19479 6781 1 17 . 1 1 80 80 TYR HA H 80 3.982 3.982 4.122 -0.140 19479 6782 1 17 . 1 1 80 80 TYR CA C 80 61.965 61.965 61.638 0.327 19479 6783 1 17 . 1 1 80 80 TYR CB C 80 38.227 38.227 38.637 -0.410 19479 6784 1 17 . 1 1 80 80 TYR H H 80 7.716 7.716 8.504 -0.788 19479 6785 1 17 . 1 1 81 81 VAL N N 81 117.864 117.864 118.651 -0.787 19479 6786 1 17 . 1 1 81 81 VAL HA H 81 3.264 3.264 3.389 -0.125 19479 6787 1 17 . 1 1 81 81 VAL CA C 81 66.719 66.719 65.939 0.780 19479 6788 1 17 . 1 1 81 81 VAL CB C 81 32.032 32.032 31.572 0.460 19479 6789 1 17 . 1 1 81 81 VAL H H 81 8.536 8.536 8.658 -0.122 19479 6790 1 17 . 1 1 82 82 ALA N N 82 121.044 121.044 122.199 -1.155 19479 6791 1 17 . 1 1 82 82 ALA HA H 82 3.931 3.931 3.995 -0.064 19479 6792 1 17 . 1 1 82 82 ALA CA C 82 55.130 55.130 55.263 -0.133 19479 6793 1 17 . 1 1 82 82 ALA CB C 82 18.588 18.588 18.179 0.409 19479 6794 1 17 . 1 1 82 82 ALA H H 82 8.420 8.420 8.142 0.278 19479 6795 1 17 . 1 1 83 83 THR N N 83 109.020 109.020 112.226 -3.206 19479 6796 1 17 . 1 1 83 83 THR HA H 83 4.081 4.081 4.027 0.054 19479 6797 1 17 . 1 1 83 83 THR CA C 83 64.388 64.388 65.865 -1.477 19479 6798 1 17 . 1 1 83 83 THR CB C 83 69.529 69.529 68.778 0.751 19479 6799 1 17 . 1 1 83 83 THR H H 83 7.558 7.558 8.055 -0.497 19479 6800 1 17 . 1 1 84 84 ARG N N 84 119.856 119.856 119.849 0.007 19479 6801 1 17 . 1 1 84 84 ARG HA H 84 4.199 4.199 4.315 -0.116 19479 6802 1 17 . 1 1 84 84 ARG CA C 84 56.279 56.279 59.009 -2.730 19479 6803 1 17 . 1 1 84 84 ARG CB C 84 30.866 30.866 30.012 0.854 19479 6804 1 17 . 1 1 84 84 ARG H H 84 7.368 7.368 7.357 0.011 19479 6805 1 17 . 1 1 85 85 SER N N 85 114.607 114.607 114.682 -0.075 19479 6806 1 17 . 1 1 85 85 SER HA H 85 4.301 4.301 4.393 -0.092 19479 6807 1 17 . 1 1 85 85 SER CA C 85 58.927 58.927 57.309 1.618 19479 6808 1 17 . 1 1 85 85 SER CB C 85 63.778 63.778 62.095 1.683 19479 6809 1 17 . 1 1 85 85 SER H H 85 7.783 7.783 8.127 -0.344 19479 6810 1 17 . 1 1 86 86 HIS HA H 86 4.608 4.608 4.557 0.051 19479 6811 1 17 . 1 1 86 86 HIS CA C 86 56.102 56.102 55.768 0.334 19479 6812 1 17 . 1 1 86 86 HIS CB C 86 30.233 30.233 29.781 0.452 19479 6813 1 17 . 1 1 87 87 HIS N N 87 125.453 125.453 124.891 0.562 19479 6814 1 17 . 1 1 87 87 HIS HA H 87 4.421 4.421 4.505 -0.084 19479 6815 1 17 . 1 1 87 87 HIS CA C 87 57.381 57.381 55.591 1.790 19479 6816 1 17 . 1 1 87 87 HIS CB C 87 30.430 30.430 30.436 -0.006 19479 6817 1 17 . 1 1 87 87 HIS H H 87 8.102 8.102 8.602 -0.500 19479 6818 1 18 . 1 1 3 3 VAL HA H 3 4.160 4.160 3.817 0.343 19479 6819 1 18 . 1 1 3 3 VAL CA C 3 63.130 63.130 63.039 0.091 19479 6820 1 18 . 1 1 3 3 VAL CB C 3 32.605 32.605 31.244 1.361 19479 6821 1 18 . 1 1 4 4 THR N N 4 117.074 117.074 112.518 4.556 19479 6822 1 18 . 1 1 4 4 THR HA H 4 4.454 4.454 4.539 -0.085 19479 6823 1 18 . 1 1 4 4 THR CA C 4 61.454 61.454 61.005 0.449 19479 6824 1 18 . 1 1 4 4 THR CB C 4 70.203 70.203 69.733 0.470 19479 6825 1 18 . 1 1 4 4 THR H H 4 8.269 8.269 7.838 0.431 19479 6826 1 18 . 1 1 5 5 GLU N N 5 122.628 122.628 121.679 0.949 19479 6827 1 18 . 1 1 5 5 GLU HA H 5 4.305 4.305 4.285 0.020 19479 6828 1 18 . 1 1 5 5 GLU CA C 5 56.689 56.689 57.117 -0.429 19479 6829 1 18 . 1 1 5 5 GLU CB C 5 30.297 30.297 29.580 0.717 19479 6830 1 18 . 1 1 5 5 GLU H H 5 8.465 8.465 8.375 0.090 19479 6831 1 18 . 1 1 6 6 ALA N N 6 124.915 124.915 123.371 1.544 19479 6832 1 18 . 1 1 6 6 ALA HA H 6 4.301 4.301 4.289 0.012 19479 6833 1 18 . 1 1 6 6 ALA CA C 6 52.392 52.392 51.734 0.658 19479 6834 1 18 . 1 1 6 6 ALA CB C 6 19.520 19.520 19.625 -0.105 19479 6835 1 18 . 1 1 6 6 ALA H H 6 8.333 8.333 7.816 0.517 19479 6836 1 18 . 1 1 7 7 GLN N N 7 120.476 120.476 119.697 0.779 19479 6837 1 18 . 1 1 7 7 GLN HA H 7 4.275 4.275 4.306 -0.031 19479 6838 1 18 . 1 1 7 7 GLN CA C 7 55.512 55.512 55.044 0.468 19479 6839 1 18 . 1 1 7 7 GLN CB C 7 29.495 29.495 29.213 0.282 19479 6840 1 18 . 1 1 7 7 GLN H H 7 8.340 8.340 8.319 0.021 19479 6841 1 18 . 1 1 8 8 TYR N N 8 124.499 124.499 122.483 2.016 19479 6842 1 18 . 1 1 8 8 TYR HA H 8 4.386 4.386 4.470 -0.084 19479 6843 1 18 . 1 1 8 8 TYR CA C 8 60.233 60.233 59.690 0.544 19479 6844 1 18 . 1 1 8 8 TYR CB C 8 38.173 38.173 38.954 -0.781 19479 6845 1 18 . 1 1 8 8 TYR H H 8 8.506 8.506 8.647 -0.141 19479 6846 1 18 . 1 1 9 9 VAL N N 9 130.011 130.011 129.194 0.817 19479 6847 1 18 . 1 1 9 9 VAL HA H 9 3.748 3.748 3.823 -0.075 19479 6848 1 18 . 1 1 9 9 VAL CA C 9 61.317 61.317 60.830 0.488 19479 6849 1 18 . 1 1 9 9 VAL CB C 9 34.738 34.738 35.156 -0.417 19479 6850 1 18 . 1 1 9 9 VAL H H 9 6.756 6.756 8.238 -1.482 19479 6851 1 18 . 1 1 10 10 ALA N N 10 130.264 130.264 130.340 -0.076 19479 6852 1 18 . 1 1 10 10 ALA HA H 10 4.172 4.172 4.228 -0.056 19479 6853 1 18 . 1 1 10 10 ALA CA C 10 50.602 50.602 50.172 0.430 19479 6854 1 18 . 1 1 10 10 ALA CB C 10 17.676 17.676 18.122 -0.446 19479 6855 1 18 . 1 1 10 10 ALA H H 10 8.125 8.125 7.956 0.169 19479 6856 1 18 . 1 1 11 11 PRO HA H 11 4.186 4.186 4.336 -0.150 19479 6857 1 18 . 1 1 11 11 PRO CA C 11 63.808 63.808 62.827 0.981 19479 6858 1 18 . 1 1 11 11 PRO CB C 11 32.674 32.674 32.461 0.213 19479 6859 1 18 . 1 1 12 12 THR N N 12 113.591 113.591 111.790 1.801 19479 6860 1 18 . 1 1 12 12 THR HA H 12 4.469 4.469 4.284 0.185 19479 6861 1 18 . 1 1 12 12 THR CA C 12 61.950 61.950 61.788 0.162 19479 6862 1 18 . 1 1 12 12 THR CB C 12 71.622 71.622 69.523 2.099 19479 6863 1 18 . 1 1 12 12 THR H H 12 9.701 9.701 8.031 1.670 19479 6864 1 18 . 1 1 13 13 ASN N N 13 116.088 116.088 119.853 -3.765 19479 6865 1 18 . 1 1 13 13 ASN HA H 13 4.771 4.771 4.797 -0.026 19479 6866 1 18 . 1 1 13 13 ASN CA C 13 51.947 51.947 51.838 0.109 19479 6867 1 18 . 1 1 13 13 ASN CB C 13 39.736 39.736 40.070 -0.334 19479 6868 1 18 . 1 1 13 13 ASN H H 13 7.423 7.423 7.709 -0.286 19479 6869 1 18 . 1 1 14 14 ALA HA H 14 4.136 4.136 4.069 0.067 19479 6870 1 18 . 1 1 14 14 ALA CA C 14 55.484 55.484 54.750 0.734 19479 6871 1 18 . 1 1 14 14 ALA CB C 14 19.020 19.020 18.462 0.558 19479 6872 1 18 . 1 1 15 15 VAL N N 15 120.332 120.332 118.421 1.911 19479 6873 1 18 . 1 1 15 15 VAL HA H 15 4.191 4.191 3.775 0.416 19479 6874 1 18 . 1 1 15 15 VAL CA C 15 65.158 65.158 65.957 -0.799 19479 6875 1 18 . 1 1 15 15 VAL CB C 15 31.513 31.513 31.260 0.253 19479 6876 1 18 . 1 1 15 15 VAL H H 15 7.938 7.938 7.991 -0.053 19479 6877 1 18 . 1 1 16 16 GLU N N 16 118.751 118.751 120.253 -1.502 19479 6878 1 18 . 1 1 16 16 GLU HA H 16 3.550 3.550 3.839 -0.289 19479 6879 1 18 . 1 1 16 16 GLU CA C 16 59.495 59.495 59.722 -0.228 19479 6880 1 18 . 1 1 16 16 GLU CB C 16 30.851 30.851 28.966 1.885 19479 6881 1 18 . 1 1 16 16 GLU H H 16 8.470 8.470 7.898 0.572 19479 6882 1 18 . 1 1 17 17 SER N N 17 112.637 112.637 114.329 -1.692 19479 6883 1 18 . 1 1 17 17 SER HA H 17 3.968 3.968 4.075 -0.107 19479 6884 1 18 . 1 1 17 17 SER CA C 17 62.523 62.523 61.724 0.798 19479 6885 1 18 . 1 1 17 17 SER CB C 17 62.669 62.669 62.824 -0.155 19479 6886 1 18 . 1 1 17 17 SER H H 17 8.386 8.386 7.839 0.547 19479 6887 1 18 . 1 1 18 18 LYS N N 18 124.394 124.394 121.236 3.158 19479 6888 1 18 . 1 1 18 18 LYS HA H 18 4.287 4.287 4.049 0.238 19479 6889 1 18 . 1 1 18 18 LYS CA C 18 57.421 57.421 59.408 -1.987 19479 6890 1 18 . 1 1 18 18 LYS CB C 18 30.018 30.018 32.412 -2.394 19479 6891 1 18 . 1 1 18 18 LYS H H 18 8.104 8.104 7.530 0.574 19479 6892 1 18 . 1 1 19 19 LEU N N 19 118.589 118.589 119.728 -1.139 19479 6893 1 18 . 1 1 19 19 LEU HA H 19 4.027 4.027 4.092 -0.065 19479 6894 1 18 . 1 1 19 19 LEU CA C 19 58.178 58.178 58.260 -0.082 19479 6895 1 18 . 1 1 19 19 LEU CB C 19 42.135 42.135 41.343 0.792 19479 6896 1 18 . 1 1 19 19 LEU H H 19 8.742 8.742 7.696 1.046 19479 6897 1 18 . 1 1 20 20 ALA N N 20 121.037 121.037 121.744 -0.707 19479 6898 1 18 . 1 1 20 20 ALA HA H 20 3.775 3.775 3.632 0.143 19479 6899 1 18 . 1 1 20 20 ALA CA C 20 56.194 56.194 55.249 0.945 19479 6900 1 18 . 1 1 20 20 ALA CB C 20 16.862 16.862 17.952 -1.090 19479 6901 1 18 . 1 1 20 20 ALA H H 20 8.199 8.199 8.353 -0.154 19479 6902 1 18 . 1 1 21 21 GLU N N 21 118.948 118.948 118.404 0.544 19479 6903 1 18 . 1 1 21 21 GLU HA H 21 4.129 4.129 4.155 -0.026 19479 6904 1 18 . 1 1 21 21 GLU CA C 21 59.788 59.788 59.403 0.385 19479 6905 1 18 . 1 1 21 21 GLU CB C 21 29.887 29.887 29.603 0.284 19479 6906 1 18 . 1 1 21 21 GLU H H 21 7.716 7.716 7.843 -0.127 19479 6907 1 18 . 1 1 22 22 ILE N N 22 120.355 120.355 120.409 -0.054 19479 6908 1 18 . 1 1 22 22 ILE HA H 22 3.780 3.780 3.825 -0.045 19479 6909 1 18 . 1 1 22 22 ILE CA C 22 65.850 65.850 65.061 0.789 19479 6910 1 18 . 1 1 22 22 ILE CB C 22 38.677 38.677 37.937 0.740 19479 6911 1 18 . 1 1 22 22 ILE H H 22 8.409 8.409 7.533 0.876 19479 6912 1 18 . 1 1 23 23 TRP N N 23 120.272 120.272 120.036 0.236 19479 6913 1 18 . 1 1 23 23 TRP HA H 23 4.191 4.191 4.379 -0.188 19479 6914 1 18 . 1 1 23 23 TRP CA C 23 61.819 61.819 60.597 1.222 19479 6915 1 18 . 1 1 23 23 TRP CB C 23 29.177 29.177 28.525 0.652 19479 6916 1 18 . 1 1 23 23 TRP H H 23 9.551 9.551 8.339 1.212 19479 6917 1 18 . 1 1 24 24 GLU N N 24 119.281 119.281 119.189 0.092 19479 6918 1 18 . 1 1 24 24 GLU HA H 24 4.210 4.210 4.100 0.110 19479 6919 1 18 . 1 1 24 24 GLU CA C 24 60.695 60.695 60.056 0.639 19479 6920 1 18 . 1 1 24 24 GLU CB C 24 29.397 29.397 29.370 0.027 19479 6921 1 18 . 1 1 24 24 GLU H H 24 9.039 9.039 8.006 1.033 19479 6922 1 18 . 1 1 25 25 ARG N N 25 119.408 119.408 117.814 1.594 19479 6923 1 18 . 1 1 25 25 ARG HA H 25 4.205 4.205 4.150 0.055 19479 6924 1 18 . 1 1 25 25 ARG CA C 25 59.015 59.015 58.665 0.350 19479 6925 1 18 . 1 1 25 25 ARG CB C 25 30.246 30.246 29.921 0.326 19479 6926 1 18 . 1 1 25 25 ARG H H 25 8.060 8.060 7.985 0.075 19479 6927 1 18 . 1 1 26 26 VAL N N 26 119.220 119.220 116.779 2.441 19479 6928 1 18 . 1 1 26 26 VAL HA H 26 3.782 3.782 4.038 -0.256 19479 6929 1 18 . 1 1 26 26 VAL CA C 26 65.845 65.845 64.932 0.913 19479 6930 1 18 . 1 1 26 26 VAL CB C 26 32.717 32.717 31.979 0.738 19479 6931 1 18 . 1 1 26 26 VAL H H 26 8.475 8.475 7.466 1.009 19479 6932 1 18 . 1 1 27 27 LEU N N 27 116.095 116.095 119.616 -3.521 19479 6933 1 18 . 1 1 27 27 LEU HA H 27 4.018 4.018 3.951 0.067 19479 6934 1 18 . 1 1 27 27 LEU CA C 27 55.757 55.757 56.322 -0.565 19479 6935 1 18 . 1 1 27 27 LEU CB C 27 42.504 42.504 41.995 0.509 19479 6936 1 18 . 1 1 27 27 LEU H H 27 9.005 9.005 8.200 0.805 19479 6937 1 18 . 1 1 28 28 GLY N N 28 108.722 108.722 107.266 1.456 19479 6938 1 18 . 1 1 28 28 GLY CA C 28 46.721 46.721 45.803 0.918 19479 6939 1 18 . 1 1 28 28 GLY H H 28 8.056 8.056 7.981 0.075 19479 6940 1 18 . 1 1 29 29 VAL N N 29 115.103 115.103 114.631 0.472 19479 6941 1 18 . 1 1 29 29 VAL HA H 29 4.457 4.457 4.827 -0.370 19479 6942 1 18 . 1 1 29 29 VAL CA C 29 59.845 59.845 59.021 0.824 19479 6943 1 18 . 1 1 29 29 VAL CB C 29 35.477 35.477 34.437 1.040 19479 6944 1 18 . 1 1 29 29 VAL H H 29 7.044 7.044 7.556 -0.512 19479 6945 1 18 . 1 1 30 30 SER N N 30 115.417 115.417 114.217 1.200 19479 6946 1 18 . 1 1 30 30 SER HA H 30 4.683 4.683 4.834 -0.151 19479 6947 1 18 . 1 1 30 30 SER CA C 30 56.970 56.970 57.449 -0.479 19479 6948 1 18 . 1 1 30 30 SER CB C 30 65.294 65.294 64.683 0.611 19479 6949 1 18 . 1 1 30 30 SER H H 30 8.151 8.151 8.292 -0.141 19479 6950 1 18 . 1 1 31 31 GLY N N 31 112.008 112.008 112.569 -0.561 19479 6951 1 18 . 1 1 31 31 GLY CA C 31 46.545 46.545 45.113 1.432 19479 6952 1 18 . 1 1 31 31 GLY H H 31 8.573 8.573 9.133 -0.560 19479 6953 1 18 . 1 1 32 32 ILE N N 32 121.204 121.204 122.060 -0.856 19479 6954 1 18 . 1 1 32 32 ILE HA H 32 3.898 3.898 4.253 -0.355 19479 6955 1 18 . 1 1 32 32 ILE CA C 32 63.126 63.126 60.024 3.102 19479 6956 1 18 . 1 1 32 32 ILE CB C 32 38.993 38.993 37.797 1.196 19479 6957 1 18 . 1 1 32 32 ILE H H 32 8.241 8.241 7.940 0.301 19479 6958 1 18 . 1 1 33 33 GLY N N 33 115.038 115.038 113.735 1.303 19479 6959 1 18 . 1 1 33 33 GLY CA C 33 44.330 44.330 43.637 0.693 19479 6960 1 18 . 1 1 33 33 GLY H H 33 8.760 8.760 7.979 0.781 19479 6961 1 18 . 1 1 34 34 ILE N N 34 110.067 110.067 117.707 -7.640 19479 6962 1 18 . 1 1 34 34 ILE HA H 34 4.017 4.017 3.887 0.130 19479 6963 1 18 . 1 1 34 34 ILE CA C 34 64.500 64.500 63.978 0.522 19479 6964 1 18 . 1 1 34 34 ILE CB C 34 37.731 37.731 38.141 -0.410 19479 6965 1 18 . 1 1 34 34 ILE H H 34 8.566 8.566 8.487 0.079 19479 6966 1 18 . 1 1 35 35 LEU N N 35 117.052 117.052 113.305 3.747 19479 6967 1 18 . 1 1 35 35 LEU HA H 35 4.692 4.692 4.625 0.067 19479 6968 1 18 . 1 1 35 35 LEU CA C 35 53.247 53.247 53.577 -0.329 19479 6969 1 18 . 1 1 35 35 LEU CB C 35 42.094 42.094 41.768 0.326 19479 6970 1 18 . 1 1 35 35 LEU H H 35 8.191 8.191 7.759 0.432 19479 6971 1 18 . 1 1 36 36 ASP N N 36 121.535 121.535 122.788 -1.253 19479 6972 1 18 . 1 1 36 36 ASP HA H 36 4.387 4.387 4.623 -0.236 19479 6973 1 18 . 1 1 36 36 ASP CA C 36 55.244 55.244 55.175 0.069 19479 6974 1 18 . 1 1 36 36 ASP CB C 36 41.170 41.170 42.036 -0.866 19479 6975 1 18 . 1 1 36 36 ASP H H 36 7.098 7.098 7.511 -0.413 19479 6976 1 18 . 1 1 37 37 ASN N N 37 123.266 123.266 123.817 -0.551 19479 6977 1 18 . 1 1 37 37 ASN HA H 37 4.954 4.954 4.963 -0.009 19479 6978 1 18 . 1 1 37 37 ASN CA C 37 53.319 53.319 53.250 0.069 19479 6979 1 18 . 1 1 37 37 ASN CB C 37 39.610 39.610 39.288 0.322 19479 6980 1 18 . 1 1 37 37 ASN H H 37 9.116 9.116 8.761 0.355 19479 6981 1 18 . 1 1 38 38 PHE N N 38 126.469 126.469 128.130 -1.661 19479 6982 1 18 . 1 1 38 38 PHE HA H 38 3.393 3.393 3.805 -0.412 19479 6983 1 18 . 1 1 38 38 PHE CA C 38 61.965 61.965 61.979 -0.014 19479 6984 1 18 . 1 1 38 38 PHE CB C 38 40.851 40.851 38.626 2.225 19479 6985 1 18 . 1 1 38 38 PHE H H 38 9.344 9.344 9.044 0.300 19479 6986 1 18 . 1 1 39 39 PHE N N 39 112.189 112.189 115.078 -2.889 19479 6987 1 18 . 1 1 39 39 PHE HA H 39 3.933 3.933 4.687 -0.754 19479 6988 1 18 . 1 1 39 39 PHE CA C 39 59.682 59.682 59.619 0.063 19479 6989 1 18 . 1 1 39 39 PHE CB C 39 38.040 38.040 38.221 -0.181 19479 6990 1 18 . 1 1 39 39 PHE H H 39 8.052 8.052 8.580 -0.528 19479 6991 1 18 . 1 1 40 40 GLN N N 40 119.928 119.928 120.571 -0.643 19479 6992 1 18 . 1 1 40 40 GLN HA H 40 4.392 4.392 4.229 0.163 19479 6993 1 18 . 1 1 40 40 GLN CA C 40 57.191 57.191 58.041 -0.850 19479 6994 1 18 . 1 1 40 40 GLN CB C 40 29.466 29.466 28.614 0.852 19479 6995 1 18 . 1 1 40 40 GLN H H 40 8.297 8.297 8.112 0.185 19479 6996 1 18 . 1 1 41 41 ILE N N 41 110.997 110.997 119.078 -8.081 19479 6997 1 18 . 1 1 41 41 ILE HA H 41 4.493 4.493 3.898 0.595 19479 6998 1 18 . 1 1 41 41 ILE CA C 41 61.348 61.348 61.217 0.131 19479 6999 1 18 . 1 1 41 41 ILE CB C 41 37.882 37.882 36.033 1.849 19479 7000 1 18 . 1 1 41 41 ILE H H 41 7.133 7.133 7.595 -0.462 19479 7001 1 18 . 1 1 42 42 GLY N N 42 106.355 106.355 107.081 -0.726 19479 7002 1 18 . 1 1 42 42 GLY CA C 42 44.679 44.679 45.339 -0.660 19479 7003 1 18 . 1 1 42 42 GLY H H 42 7.433 7.433 7.656 -0.223 19479 7004 1 18 . 1 1 43 43 GLY N N 43 107.808 107.808 108.185 -0.377 19479 7005 1 18 . 1 1 43 43 GLY CA C 43 45.389 45.389 44.166 1.223 19479 7006 1 18 . 1 1 43 43 GLY H H 43 7.826 7.826 7.371 0.455 19479 7007 1 18 . 1 1 44 44 HIS N N 44 112.337 112.337 119.201 -6.864 19479 7008 1 18 . 1 1 44 44 HIS HA H 44 4.979 4.979 4.997 -0.018 19479 7009 1 18 . 1 1 44 44 HIS CA C 44 54.773 54.773 53.909 0.864 19479 7010 1 18 . 1 1 44 44 HIS CB C 44 31.867 31.867 31.557 0.310 19479 7011 1 18 . 1 1 44 44 HIS H H 44 6.369 6.369 7.280 -0.911 19479 7012 1 18 . 1 1 45 45 ALA HA H 45 4.264 4.264 4.208 0.056 19479 7013 1 18 . 1 1 45 45 ALA CA C 45 57.581 57.581 55.566 2.015 19479 7014 1 18 . 1 1 45 45 ALA CB C 45 18.718 18.718 18.297 0.421 19479 7015 1 18 . 1 1 46 46 LEU N N 46 117.791 117.791 118.479 -0.688 19479 7016 1 18 . 1 1 46 46 LEU HA H 46 4.420 4.420 4.049 0.371 19479 7017 1 18 . 1 1 46 46 LEU CA C 46 58.559 58.559 58.475 0.084 19479 7018 1 18 . 1 1 46 46 LEU CB C 46 41.652 41.652 42.101 -0.449 19479 7019 1 18 . 1 1 46 46 LEU H H 46 8.807 8.807 8.573 0.234 19479 7020 1 18 . 1 1 47 47 LYS N N 47 118.822 118.822 118.567 0.255 19479 7021 1 18 . 1 1 47 47 LYS HA H 47 4.200 4.200 3.896 0.304 19479 7022 1 18 . 1 1 47 47 LYS CA C 47 58.352 58.352 59.569 -1.217 19479 7023 1 18 . 1 1 47 47 LYS CB C 47 32.994 32.994 32.008 0.986 19479 7024 1 18 . 1 1 47 47 LYS H H 47 7.589 7.589 7.385 0.204 19479 7025 1 18 . 1 1 48 48 ALA N N 48 122.769 122.769 122.689 0.080 19479 7026 1 18 . 1 1 48 48 ALA HA H 48 3.575 3.575 3.584 -0.009 19479 7027 1 18 . 1 1 48 48 ALA CA C 48 55.102 55.102 54.990 0.112 19479 7028 1 18 . 1 1 48 48 ALA CB C 48 18.239 18.239 18.002 0.237 19479 7029 1 18 . 1 1 48 48 ALA H H 48 8.736 8.736 8.374 0.362 19479 7030 1 18 . 1 1 49 49 MET N N 49 116.936 116.936 117.280 -0.344 19479 7031 1 18 . 1 1 49 49 MET HA H 49 4.169 4.169 4.016 0.153 19479 7032 1 18 . 1 1 49 49 MET CA C 49 58.869 58.869 59.525 -0.656 19479 7033 1 18 . 1 1 49 49 MET CB C 49 32.511 32.511 32.527 -0.016 19479 7034 1 18 . 1 1 49 49 MET H H 49 8.000 8.000 8.251 -0.251 19479 7035 1 18 . 1 1 50 50 ALA N N 50 123.686 123.686 122.248 1.438 19479 7036 1 18 . 1 1 50 50 ALA HA H 50 4.401 4.401 4.129 0.272 19479 7037 1 18 . 1 1 50 50 ALA CA C 50 55.265 55.265 55.149 0.116 19479 7038 1 18 . 1 1 50 50 ALA CB C 50 18.320 18.320 17.971 0.349 19479 7039 1 18 . 1 1 50 50 ALA H H 50 7.389 7.389 7.573 -0.184 19479 7040 1 18 . 1 1 51 51 VAL N N 51 118.885 118.885 120.189 -1.304 19479 7041 1 18 . 1 1 51 51 VAL HA H 51 3.437 3.437 3.604 -0.167 19479 7042 1 18 . 1 1 51 51 VAL CA C 51 66.975 66.975 66.520 0.455 19479 7043 1 18 . 1 1 51 51 VAL CB C 51 31.268 31.268 31.058 0.210 19479 7044 1 18 . 1 1 51 51 VAL H H 51 7.981 7.981 7.798 0.183 19479 7045 1 18 . 1 1 52 52 ALA N N 52 121.555 121.555 121.815 -0.260 19479 7046 1 18 . 1 1 52 52 ALA HA H 52 3.990 3.990 3.892 0.098 19479 7047 1 18 . 1 1 52 52 ALA CA C 52 56.056 56.056 55.243 0.813 19479 7048 1 18 . 1 1 52 52 ALA CB C 52 18.099 18.099 18.041 0.058 19479 7049 1 18 . 1 1 52 52 ALA H H 52 8.499 8.499 8.130 0.369 19479 7050 1 18 . 1 1 53 53 ALA N N 53 121.958 121.958 121.011 0.947 19479 7051 1 18 . 1 1 53 53 ALA HA H 53 4.346 4.346 4.091 0.255 19479 7052 1 18 . 1 1 53 53 ALA CA C 53 55.454 55.454 55.066 0.388 19479 7053 1 18 . 1 1 53 53 ALA CB C 53 18.079 18.079 18.239 -0.160 19479 7054 1 18 . 1 1 53 53 ALA H H 53 8.238 8.238 8.023 0.215 19479 7055 1 18 . 1 1 54 54 GLN N N 54 118.520 118.520 118.186 0.334 19479 7056 1 18 . 1 1 54 54 GLN HA H 54 4.157 4.157 4.119 0.038 19479 7057 1 18 . 1 1 54 54 GLN CA C 54 59.303 59.303 58.896 0.407 19479 7058 1 18 . 1 1 54 54 GLN CB C 54 28.684 28.684 28.684 -0.000 19479 7059 1 18 . 1 1 54 54 GLN H H 54 7.914 7.914 7.916 -0.002 19479 7060 1 18 . 1 1 55 55 VAL N N 55 121.643 121.643 121.068 0.575 19479 7061 1 18 . 1 1 55 55 VAL HA H 55 3.673 3.673 4.017 -0.344 19479 7062 1 18 . 1 1 55 55 VAL CA C 55 67.521 67.521 66.950 0.571 19479 7063 1 18 . 1 1 55 55 VAL CB C 55 31.569 31.569 31.224 0.345 19479 7064 1 18 . 1 1 55 55 VAL H H 55 8.915 8.915 8.814 0.101 19479 7065 1 18 . 1 1 56 56 HIS N N 56 120.993 120.993 119.601 1.392 19479 7066 1 18 . 1 1 56 56 HIS HA H 56 4.314 4.314 4.807 -0.493 19479 7067 1 18 . 1 1 56 56 HIS CA C 56 60.994 60.994 59.120 1.873 19479 7068 1 18 . 1 1 56 56 HIS CB C 56 30.226 30.226 29.957 0.269 19479 7069 1 18 . 1 1 56 56 HIS H H 56 8.328 8.328 8.401 -0.073 19479 7070 1 18 . 1 1 57 57 ARG N N 57 119.241 119.241 118.013 1.228 19479 7071 1 18 . 1 1 57 57 ARG HA H 57 3.963 3.963 4.248 -0.285 19479 7072 1 18 . 1 1 57 57 ARG CA C 57 59.269 59.269 58.614 0.655 19479 7073 1 18 . 1 1 57 57 ARG CB C 57 30.220 30.220 30.041 0.178 19479 7074 1 18 . 1 1 57 57 ARG H H 57 7.849 7.849 7.982 -0.133 19479 7075 1 18 . 1 1 58 58 GLU N N 58 116.079 116.079 118.903 -2.824 19479 7076 1 18 . 1 1 58 58 GLU HA H 58 3.944 3.944 4.196 -0.252 19479 7077 1 18 . 1 1 58 58 GLU CA C 58 58.351 58.351 58.141 0.210 19479 7078 1 18 . 1 1 58 58 GLU CB C 58 30.571 30.571 30.265 0.306 19479 7079 1 18 . 1 1 58 58 GLU H H 58 7.874 7.874 8.205 -0.331 19479 7080 1 18 . 1 1 59 59 TYR N N 59 112.274 112.274 116.719 -4.445 19479 7081 1 18 . 1 1 59 59 TYR HA H 59 4.686 4.686 4.548 0.138 19479 7082 1 18 . 1 1 59 59 TYR CA C 59 58.616 58.616 58.425 0.191 19479 7083 1 18 . 1 1 59 59 TYR CB C 59 40.589 40.589 38.462 2.127 19479 7084 1 18 . 1 1 59 59 TYR H H 59 8.303 8.303 8.228 0.075 19479 7085 1 18 . 1 1 60 60 GLN N N 60 115.629 115.629 114.964 0.665 19479 7086 1 18 . 1 1 60 60 GLN HA H 60 3.481 3.481 4.296 -0.815 19479 7087 1 18 . 1 1 60 60 GLN CA C 60 57.418 57.418 56.700 0.718 19479 7088 1 18 . 1 1 60 60 GLN CB C 60 25.628 25.628 26.455 -0.827 19479 7089 1 18 . 1 1 60 60 GLN H H 60 8.382 8.382 7.924 0.458 19479 7090 1 18 . 1 1 61 61 VAL N N 61 114.547 114.547 117.304 -2.757 19479 7091 1 18 . 1 1 61 61 VAL HA H 61 4.347 4.347 4.270 0.077 19479 7092 1 18 . 1 1 61 61 VAL CA C 61 60.118 60.118 60.205 -0.087 19479 7093 1 18 . 1 1 61 61 VAL CB C 61 35.547 35.547 35.624 -0.077 19479 7094 1 18 . 1 1 61 61 VAL H H 61 6.532 6.532 7.548 -1.016 19479 7095 1 18 . 1 1 62 62 GLU N N 62 125.938 125.938 129.121 -3.183 19479 7096 1 18 . 1 1 62 62 GLU HA H 62 4.270 4.270 3.480 0.790 19479 7097 1 18 . 1 1 62 62 GLU CA C 62 55.857 55.857 56.747 -0.890 19479 7098 1 18 . 1 1 62 62 GLU CB C 62 30.334 30.334 30.189 0.145 19479 7099 1 18 . 1 1 62 62 GLU H H 62 8.741 8.741 8.521 0.220 19479 7100 1 18 . 1 1 63 63 LEU N N 63 127.837 127.837 129.532 -1.695 19479 7101 1 18 . 1 1 63 63 LEU HA H 63 4.845 4.845 4.773 0.072 19479 7102 1 18 . 1 1 63 63 LEU CA C 63 50.751 50.751 50.680 0.071 19479 7103 1 18 . 1 1 63 63 LEU CB C 63 43.313 43.313 43.054 0.259 19479 7104 1 18 . 1 1 63 63 LEU H H 63 8.939 8.939 8.366 0.573 19479 7105 1 18 . 1 1 64 64 PRO HA H 64 4.446 4.446 4.467 -0.021 19479 7106 1 18 . 1 1 64 64 PRO CA C 64 62.060 62.060 62.084 -0.024 19479 7107 1 18 . 1 1 64 64 PRO CB C 64 32.346 32.346 32.671 -0.325 19479 7108 1 18 . 1 1 65 65 LEU N N 65 126.325 126.325 123.529 2.796 19479 7109 1 18 . 1 1 65 65 LEU HA H 65 3.772 3.772 4.049 -0.277 19479 7110 1 18 . 1 1 65 65 LEU CA C 65 58.426 58.426 57.792 0.634 19479 7111 1 18 . 1 1 65 65 LEU CB C 65 40.688 40.688 41.369 -0.681 19479 7112 1 18 . 1 1 65 65 LEU H H 65 8.746 8.746 8.546 0.200 19479 7113 1 18 . 1 1 66 66 LYS N N 66 114.157 114.157 119.259 -5.102 19479 7114 1 18 . 1 1 66 66 LYS HA H 66 3.999 3.999 4.369 -0.370 19479 7115 1 18 . 1 1 66 66 LYS CA C 66 59.383 59.383 59.166 0.217 19479 7116 1 18 . 1 1 66 66 LYS CB C 66 32.166 32.166 31.864 0.301 19479 7117 1 18 . 1 1 66 66 LYS H H 66 8.551 8.551 8.554 -0.003 19479 7118 1 18 . 1 1 67 67 VAL N N 67 119.827 119.827 119.761 0.066 19479 7119 1 18 . 1 1 67 67 VAL HA H 67 3.611 3.611 3.861 -0.250 19479 7120 1 18 . 1 1 67 67 VAL CA C 67 65.655 65.655 64.634 1.021 19479 7121 1 18 . 1 1 67 67 VAL CB C 67 31.425 31.425 31.310 0.115 19479 7122 1 18 . 1 1 67 67 VAL H H 67 7.190 7.190 7.492 -0.302 19479 7123 1 18 . 1 1 68 68 LEU N N 68 120.867 120.867 123.418 -2.551 19479 7124 1 18 . 1 1 68 68 LEU HA H 68 3.922 3.922 3.868 0.054 19479 7125 1 18 . 1 1 68 68 LEU CA C 68 58.322 58.322 58.066 0.256 19479 7126 1 18 . 1 1 68 68 LEU CB C 68 41.911 41.911 40.808 1.103 19479 7127 1 18 . 1 1 68 68 LEU H H 68 6.936 6.936 7.459 -0.523 19479 7128 1 18 . 1 1 69 69 PHE N N 69 112.682 112.682 116.275 -3.593 19479 7129 1 18 . 1 1 69 69 PHE HA H 69 4.265 4.265 4.727 -0.462 19479 7130 1 18 . 1 1 69 69 PHE CA C 69 60.265 60.265 60.061 0.204 19479 7131 1 18 . 1 1 69 69 PHE CB C 69 38.725 38.725 38.856 -0.131 19479 7132 1 18 . 1 1 69 69 PHE H H 69 8.201 8.201 8.617 -0.416 19479 7133 1 18 . 1 1 70 70 ALA N N 70 118.803 118.803 121.386 -2.583 19479 7134 1 18 . 1 1 70 70 ALA HA H 70 4.302 4.302 3.560 0.742 19479 7135 1 18 . 1 1 70 70 ALA CA C 70 54.025 54.025 53.162 0.863 19479 7136 1 18 . 1 1 70 70 ALA CB C 70 19.656 19.656 19.369 0.287 19479 7137 1 18 . 1 1 70 70 ALA H H 70 7.448 7.448 7.228 0.220 19479 7138 1 18 . 1 1 71 71 GLN N N 71 116.280 116.280 116.099 0.181 19479 7139 1 18 . 1 1 71 71 GLN HA H 71 4.848 4.848 4.761 0.087 19479 7140 1 18 . 1 1 71 71 GLN CA C 71 53.120 53.120 52.519 0.601 19479 7141 1 18 . 1 1 71 71 GLN CB C 71 29.026 29.026 29.946 -0.920 19479 7142 1 18 . 1 1 71 71 GLN H H 71 7.561 7.561 8.106 -0.545 19479 7143 1 18 . 1 1 72 72 PRO HA H 72 4.989 4.989 4.711 0.278 19479 7144 1 18 . 1 1 72 72 PRO CA C 72 64.307 64.307 63.189 1.118 19479 7145 1 18 . 1 1 72 72 PRO CB C 72 30.240 30.240 30.060 0.180 19479 7146 1 18 . 1 1 73 73 THR N N 73 109.972 109.972 110.330 -0.358 19479 7147 1 18 . 1 1 73 73 THR HA H 73 5.198 5.198 5.273 -0.075 19479 7148 1 18 . 1 1 73 73 THR CA C 73 59.292 59.292 59.178 0.114 19479 7149 1 18 . 1 1 73 73 THR CB C 73 72.314 72.314 73.108 -0.794 19479 7150 1 18 . 1 1 73 73 THR H H 73 8.303 8.303 8.009 0.294 19479 7151 1 18 . 1 1 74 74 ILE N N 74 125.105 125.105 123.357 1.748 19479 7152 1 18 . 1 1 74 74 ILE HA H 74 3.061 3.061 3.327 -0.266 19479 7153 1 18 . 1 1 74 74 ILE CA C 74 66.019 66.019 63.964 2.055 19479 7154 1 18 . 1 1 74 74 ILE CB C 74 37.443 37.443 36.629 0.814 19479 7155 1 18 . 1 1 74 74 ILE H H 74 9.908 9.908 9.040 0.868 19479 7156 1 18 . 1 1 75 75 LYS N N 75 119.445 119.445 121.125 -1.680 19479 7157 1 18 . 1 1 75 75 LYS HA H 75 3.797 3.797 4.046 -0.249 19479 7158 1 18 . 1 1 75 75 LYS CA C 75 60.205 60.205 60.054 0.151 19479 7159 1 18 . 1 1 75 75 LYS CB C 75 33.098 33.098 32.076 1.022 19479 7160 1 18 . 1 1 75 75 LYS H H 75 9.024 9.024 7.686 1.338 19479 7161 1 18 . 1 1 76 76 ALA N N 76 119.581 119.581 121.119 -1.538 19479 7162 1 18 . 1 1 76 76 ALA HA H 76 4.216 4.216 4.279 -0.063 19479 7163 1 18 . 1 1 76 76 ALA CA C 76 54.809 54.809 54.820 -0.011 19479 7164 1 18 . 1 1 76 76 ALA CB C 76 19.422 19.422 18.209 1.214 19479 7165 1 18 . 1 1 76 76 ALA H H 76 7.621 7.621 8.063 -0.442 19479 7166 1 18 . 1 1 77 77 LEU N N 77 121.833 121.833 119.206 2.627 19479 7167 1 18 . 1 1 77 77 LEU HA H 77 4.097 4.097 3.936 0.161 19479 7168 1 18 . 1 1 77 77 LEU CA C 77 57.612 57.612 57.725 -0.113 19479 7169 1 18 . 1 1 77 77 LEU CB C 77 42.192 42.192 41.366 0.826 19479 7170 1 18 . 1 1 77 77 LEU H H 77 8.915 8.915 8.142 0.773 19479 7171 1 18 . 1 1 78 78 ALA N N 78 120.481 120.481 121.647 -1.166 19479 7172 1 18 . 1 1 78 78 ALA HA H 78 3.751 3.751 3.854 -0.103 19479 7173 1 18 . 1 1 78 78 ALA CA C 78 55.117 55.117 55.448 -0.331 19479 7174 1 18 . 1 1 78 78 ALA CB C 78 19.603 19.603 18.246 1.357 19479 7175 1 18 . 1 1 78 78 ALA H H 78 9.393 9.393 8.580 0.813 19479 7176 1 18 . 1 1 79 79 GLN N N 79 117.799 117.799 117.726 0.073 19479 7177 1 18 . 1 1 79 79 GLN HA H 79 4.069 4.069 4.043 0.026 19479 7178 1 18 . 1 1 79 79 GLN CA C 79 58.790 58.790 58.273 0.517 19479 7179 1 18 . 1 1 79 79 GLN CB C 79 28.256 28.256 28.561 -0.305 19479 7180 1 18 . 1 1 79 79 GLN H H 79 7.179 7.179 7.938 -0.759 19479 7181 1 18 . 1 1 80 80 TYR N N 80 121.754 121.754 122.725 -0.971 19479 7182 1 18 . 1 1 80 80 TYR HA H 80 3.982 3.982 4.046 -0.064 19479 7183 1 18 . 1 1 80 80 TYR CA C 80 61.965 61.965 61.934 0.032 19479 7184 1 18 . 1 1 80 80 TYR CB C 80 38.227 38.227 38.610 -0.383 19479 7185 1 18 . 1 1 80 80 TYR H H 80 7.716 7.716 8.279 -0.563 19479 7186 1 18 . 1 1 81 81 VAL N N 81 117.864 117.864 118.623 -0.759 19479 7187 1 18 . 1 1 81 81 VAL HA H 81 3.264 3.264 3.375 -0.111 19479 7188 1 18 . 1 1 81 81 VAL CA C 81 66.719 66.719 66.258 0.461 19479 7189 1 18 . 1 1 81 81 VAL CB C 81 32.032 32.032 31.700 0.332 19479 7190 1 18 . 1 1 81 81 VAL H H 81 8.536 8.536 8.696 -0.160 19479 7191 1 18 . 1 1 82 82 ALA N N 82 121.044 121.044 121.739 -0.695 19479 7192 1 18 . 1 1 82 82 ALA HA H 82 3.931 3.931 3.896 0.035 19479 7193 1 18 . 1 1 82 82 ALA CA C 82 55.130 55.130 55.486 -0.356 19479 7194 1 18 . 1 1 82 82 ALA CB C 82 18.588 18.588 17.976 0.612 19479 7195 1 18 . 1 1 82 82 ALA H H 82 8.420 8.420 7.975 0.445 19479 7196 1 18 . 1 1 83 83 THR N N 83 109.020 109.020 111.102 -2.082 19479 7197 1 18 . 1 1 83 83 THR HA H 83 4.081 4.081 4.091 -0.010 19479 7198 1 18 . 1 1 83 83 THR CA C 83 64.388 64.388 64.430 -0.042 19479 7199 1 18 . 1 1 83 83 THR CB C 83 69.529 69.529 68.729 0.800 19479 7200 1 18 . 1 1 83 83 THR H H 83 7.558 7.558 7.913 -0.355 19479 7201 1 18 . 1 1 84 84 ARG N N 84 119.856 119.856 118.156 1.700 19479 7202 1 18 . 1 1 84 84 ARG HA H 84 4.199 4.199 4.308 -0.109 19479 7203 1 18 . 1 1 84 84 ARG CA C 84 56.279 56.279 57.368 -1.089 19479 7204 1 18 . 1 1 84 84 ARG CB C 84 30.866 30.866 30.812 0.054 19479 7205 1 18 . 1 1 84 84 ARG H H 84 7.368 7.368 7.377 -0.009 19479 7206 1 18 . 1 1 85 85 SER N N 85 114.607 114.607 113.649 0.958 19479 7207 1 18 . 1 1 85 85 SER HA H 85 4.301 4.301 4.407 -0.106 19479 7208 1 18 . 1 1 85 85 SER CA C 85 58.927 58.927 59.461 -0.534 19479 7209 1 18 . 1 1 85 85 SER CB C 85 63.778 63.778 63.766 0.012 19479 7210 1 18 . 1 1 85 85 SER H H 85 7.783 7.783 8.032 -0.249 19479 7211 1 18 . 1 1 86 86 HIS HA H 86 4.608 4.608 4.469 0.139 19479 7212 1 18 . 1 1 86 86 HIS CA C 86 56.102 56.102 56.689 -0.587 19479 7213 1 18 . 1 1 86 86 HIS CB C 86 30.233 30.233 29.733 0.500 19479 7214 1 18 . 1 1 87 87 HIS N N 87 125.453 125.453 125.080 0.373 19479 7215 1 18 . 1 1 87 87 HIS HA H 87 4.421 4.421 4.387 0.034 19479 7216 1 18 . 1 1 87 87 HIS CA C 87 57.381 57.381 57.113 0.268 19479 7217 1 18 . 1 1 87 87 HIS CB C 87 30.430 30.430 30.476 -0.046 19479 7218 1 18 . 1 1 87 87 HIS H H 87 8.102 8.102 8.854 -0.752 19479 7219 1 19 . 1 1 3 3 VAL HA H 3 4.160 4.160 4.123 0.037 19479 7220 1 19 . 1 1 3 3 VAL CA C 3 63.130 63.130 62.063 1.067 19479 7221 1 19 . 1 1 3 3 VAL CB C 3 32.605 32.605 32.748 -0.143 19479 7222 1 19 . 1 1 4 4 THR N N 4 117.074 117.074 115.776 1.298 19479 7223 1 19 . 1 1 4 4 THR HA H 4 4.454 4.454 4.467 -0.013 19479 7224 1 19 . 1 1 4 4 THR CA C 4 61.454 61.454 61.897 -0.443 19479 7225 1 19 . 1 1 4 4 THR CB C 4 70.203 70.203 69.984 0.219 19479 7226 1 19 . 1 1 4 4 THR H H 4 8.269 8.269 8.149 0.120 19479 7227 1 19 . 1 1 5 5 GLU N N 5 122.628 122.628 122.268 0.360 19479 7228 1 19 . 1 1 5 5 GLU HA H 5 4.305 4.305 4.485 -0.180 19479 7229 1 19 . 1 1 5 5 GLU CA C 5 56.689 56.689 55.846 0.843 19479 7230 1 19 . 1 1 5 5 GLU CB C 5 30.297 30.297 29.755 0.542 19479 7231 1 19 . 1 1 5 5 GLU H H 5 8.465 8.465 8.604 -0.139 19479 7232 1 19 . 1 1 6 6 ALA N N 6 124.915 124.915 122.194 2.721 19479 7233 1 19 . 1 1 6 6 ALA HA H 6 4.301 4.301 4.207 0.094 19479 7234 1 19 . 1 1 6 6 ALA CA C 6 52.392 52.392 52.935 -0.543 19479 7235 1 19 . 1 1 6 6 ALA CB C 6 19.520 19.520 18.928 0.592 19479 7236 1 19 . 1 1 6 6 ALA H H 6 8.333 8.333 7.917 0.416 19479 7237 1 19 . 1 1 7 7 GLN N N 7 120.476 120.476 118.314 2.162 19479 7238 1 19 . 1 1 7 7 GLN HA H 7 4.275 4.275 4.270 0.005 19479 7239 1 19 . 1 1 7 7 GLN CA C 7 55.512 55.512 55.824 -0.312 19479 7240 1 19 . 1 1 7 7 GLN CB C 7 29.495 29.495 29.140 0.355 19479 7241 1 19 . 1 1 7 7 GLN H H 7 8.340 8.340 7.637 0.703 19479 7242 1 19 . 1 1 8 8 TYR N N 8 124.499 124.499 126.080 -1.581 19479 7243 1 19 . 1 1 8 8 TYR HA H 8 4.386 4.386 4.334 0.052 19479 7244 1 19 . 1 1 8 8 TYR CA C 8 60.233 60.233 59.142 1.091 19479 7245 1 19 . 1 1 8 8 TYR CB C 8 38.173 38.173 38.666 -0.493 19479 7246 1 19 . 1 1 8 8 TYR H H 8 8.506 8.506 8.477 0.029 19479 7247 1 19 . 1 1 9 9 VAL N N 9 130.011 130.011 129.493 0.518 19479 7248 1 19 . 1 1 9 9 VAL HA H 9 3.748 3.748 3.886 -0.138 19479 7249 1 19 . 1 1 9 9 VAL CA C 9 61.317 61.317 61.043 0.274 19479 7250 1 19 . 1 1 9 9 VAL CB C 9 34.738 34.738 34.587 0.151 19479 7251 1 19 . 1 1 9 9 VAL H H 9 6.756 6.756 8.004 -1.248 19479 7252 1 19 . 1 1 10 10 ALA N N 10 130.264 130.264 129.728 0.536 19479 7253 1 19 . 1 1 10 10 ALA HA H 10 4.172 4.172 4.158 0.014 19479 7254 1 19 . 1 1 10 10 ALA CA C 10 50.602 50.602 50.501 0.101 19479 7255 1 19 . 1 1 10 10 ALA CB C 10 17.676 17.676 18.228 -0.552 19479 7256 1 19 . 1 1 10 10 ALA H H 10 8.125 8.125 8.053 0.072 19479 7257 1 19 . 1 1 11 11 PRO HA H 11 4.186 4.186 4.318 -0.132 19479 7258 1 19 . 1 1 11 11 PRO CA C 11 63.808 63.808 63.139 0.669 19479 7259 1 19 . 1 1 11 11 PRO CB C 11 32.674 32.674 32.127 0.548 19479 7260 1 19 . 1 1 12 12 THR N N 12 113.591 113.591 112.026 1.565 19479 7261 1 19 . 1 1 12 12 THR HA H 12 4.469 4.469 4.372 0.097 19479 7262 1 19 . 1 1 12 12 THR CA C 12 61.950 61.950 61.661 0.289 19479 7263 1 19 . 1 1 12 12 THR CB C 12 71.622 71.622 70.202 1.420 19479 7264 1 19 . 1 1 12 12 THR H H 12 9.701 9.701 8.773 0.928 19479 7265 1 19 . 1 1 13 13 ASN N N 13 116.088 116.088 121.131 -5.043 19479 7266 1 19 . 1 1 13 13 ASN HA H 13 4.771 4.771 4.837 -0.066 19479 7267 1 19 . 1 1 13 13 ASN CA C 13 51.947 51.947 52.409 -0.462 19479 7268 1 19 . 1 1 13 13 ASN CB C 13 39.736 39.736 40.539 -0.803 19479 7269 1 19 . 1 1 13 13 ASN H H 13 7.423 7.423 8.031 -0.608 19479 7270 1 19 . 1 1 14 14 ALA HA H 14 4.136 4.136 4.027 0.109 19479 7271 1 19 . 1 1 14 14 ALA CA C 14 55.484 55.484 54.915 0.569 19479 7272 1 19 . 1 1 14 14 ALA CB C 14 19.020 19.020 18.494 0.526 19479 7273 1 19 . 1 1 15 15 VAL N N 15 120.332 120.332 118.738 1.594 19479 7274 1 19 . 1 1 15 15 VAL HA H 15 4.191 4.191 3.832 0.359 19479 7275 1 19 . 1 1 15 15 VAL CA C 15 65.158 65.158 65.163 -0.005 19479 7276 1 19 . 1 1 15 15 VAL CB C 15 31.513 31.513 31.548 -0.035 19479 7277 1 19 . 1 1 15 15 VAL H H 15 7.938 7.938 7.973 -0.035 19479 7278 1 19 . 1 1 16 16 GLU N N 16 118.751 118.751 120.857 -2.106 19479 7279 1 19 . 1 1 16 16 GLU HA H 16 3.550 3.550 3.804 -0.254 19479 7280 1 19 . 1 1 16 16 GLU CA C 16 59.495 59.495 59.764 -0.269 19479 7281 1 19 . 1 1 16 16 GLU CB C 16 30.851 30.851 28.895 1.956 19479 7282 1 19 . 1 1 16 16 GLU H H 16 8.470 8.470 7.784 0.686 19479 7283 1 19 . 1 1 17 17 SER N N 17 112.637 112.637 114.550 -1.913 19479 7284 1 19 . 1 1 17 17 SER HA H 17 3.968 3.968 3.994 -0.026 19479 7285 1 19 . 1 1 17 17 SER CA C 17 62.523 62.523 62.247 0.276 19479 7286 1 19 . 1 1 17 17 SER CB C 17 62.669 62.669 62.982 -0.313 19479 7287 1 19 . 1 1 17 17 SER H H 17 8.386 8.386 7.930 0.456 19479 7288 1 19 . 1 1 18 18 LYS N N 18 124.394 124.394 120.917 3.477 19479 7289 1 19 . 1 1 18 18 LYS HA H 18 4.287 4.287 4.310 -0.023 19479 7290 1 19 . 1 1 18 18 LYS CA C 18 57.421 57.421 58.961 -1.540 19479 7291 1 19 . 1 1 18 18 LYS CB C 18 30.018 30.018 32.106 -2.088 19479 7292 1 19 . 1 1 18 18 LYS H H 18 8.104 8.104 7.432 0.672 19479 7293 1 19 . 1 1 19 19 LEU N N 19 118.589 118.589 119.842 -1.253 19479 7294 1 19 . 1 1 19 19 LEU HA H 19 4.027 4.027 4.155 -0.128 19479 7295 1 19 . 1 1 19 19 LEU CA C 19 58.178 58.178 58.179 -0.001 19479 7296 1 19 . 1 1 19 19 LEU CB C 19 42.135 42.135 41.404 0.731 19479 7297 1 19 . 1 1 19 19 LEU H H 19 8.742 8.742 7.834 0.908 19479 7298 1 19 . 1 1 20 20 ALA N N 20 121.037 121.037 120.990 0.047 19479 7299 1 19 . 1 1 20 20 ALA HA H 20 3.775 3.775 3.625 0.150 19479 7300 1 19 . 1 1 20 20 ALA CA C 20 56.194 56.194 55.043 1.151 19479 7301 1 19 . 1 1 20 20 ALA CB C 20 16.862 16.862 18.191 -1.329 19479 7302 1 19 . 1 1 20 20 ALA H H 20 8.199 8.199 8.359 -0.160 19479 7303 1 19 . 1 1 21 21 GLU N N 21 118.948 118.948 118.559 0.389 19479 7304 1 19 . 1 1 21 21 GLU HA H 21 4.129 4.129 4.097 0.032 19479 7305 1 19 . 1 1 21 21 GLU CA C 21 59.788 59.788 58.896 0.892 19479 7306 1 19 . 1 1 21 21 GLU CB C 21 29.887 29.887 29.500 0.387 19479 7307 1 19 . 1 1 21 21 GLU H H 21 7.716 7.716 7.746 -0.030 19479 7308 1 19 . 1 1 22 22 ILE N N 22 120.355 120.355 120.950 -0.595 19479 7309 1 19 . 1 1 22 22 ILE HA H 22 3.780 3.780 3.809 -0.029 19479 7310 1 19 . 1 1 22 22 ILE CA C 22 65.850 65.850 65.073 0.777 19479 7311 1 19 . 1 1 22 22 ILE CB C 22 38.677 38.677 37.925 0.752 19479 7312 1 19 . 1 1 22 22 ILE H H 22 8.409 8.409 7.448 0.961 19479 7313 1 19 . 1 1 23 23 TRP N N 23 120.272 120.272 119.181 1.091 19479 7314 1 19 . 1 1 23 23 TRP HA H 23 4.191 4.191 4.380 -0.189 19479 7315 1 19 . 1 1 23 23 TRP CA C 23 61.819 61.819 60.789 1.030 19479 7316 1 19 . 1 1 23 23 TRP CB C 23 29.177 29.177 28.517 0.660 19479 7317 1 19 . 1 1 23 23 TRP H H 23 9.551 9.551 8.525 1.026 19479 7318 1 19 . 1 1 24 24 GLU N N 24 119.281 119.281 119.246 0.035 19479 7319 1 19 . 1 1 24 24 GLU HA H 24 4.210 4.210 4.075 0.135 19479 7320 1 19 . 1 1 24 24 GLU CA C 24 60.695 60.695 60.248 0.447 19479 7321 1 19 . 1 1 24 24 GLU CB C 24 29.397 29.397 29.240 0.157 19479 7322 1 19 . 1 1 24 24 GLU H H 24 9.039 9.039 7.938 1.101 19479 7323 1 19 . 1 1 25 25 ARG N N 25 119.408 119.408 117.018 2.390 19479 7324 1 19 . 1 1 25 25 ARG HA H 25 4.205 4.205 4.169 0.036 19479 7325 1 19 . 1 1 25 25 ARG CA C 25 59.015 59.015 58.562 0.452 19479 7326 1 19 . 1 1 25 25 ARG CB C 25 30.246 30.246 29.856 0.390 19479 7327 1 19 . 1 1 25 25 ARG H H 25 8.060 8.060 8.026 0.034 19479 7328 1 19 . 1 1 26 26 VAL N N 26 119.220 119.220 117.929 1.291 19479 7329 1 19 . 1 1 26 26 VAL HA H 26 3.782 3.782 4.024 -0.242 19479 7330 1 19 . 1 1 26 26 VAL CA C 26 65.845 65.845 64.994 0.851 19479 7331 1 19 . 1 1 26 26 VAL CB C 26 32.717 32.717 32.550 0.167 19479 7332 1 19 . 1 1 26 26 VAL H H 26 8.475 8.475 7.358 1.117 19479 7333 1 19 . 1 1 27 27 LEU N N 27 116.095 116.095 117.024 -0.929 19479 7334 1 19 . 1 1 27 27 LEU HA H 27 4.018 4.018 4.063 -0.045 19479 7335 1 19 . 1 1 27 27 LEU CA C 27 55.757 55.757 55.965 -0.208 19479 7336 1 19 . 1 1 27 27 LEU CB C 27 42.504 42.504 42.310 0.194 19479 7337 1 19 . 1 1 27 27 LEU H H 27 9.005 9.005 8.479 0.526 19479 7338 1 19 . 1 1 28 28 GLY N N 28 108.722 108.722 107.581 1.141 19479 7339 1 19 . 1 1 28 28 GLY CA C 28 46.721 46.721 45.820 0.901 19479 7340 1 19 . 1 1 28 28 GLY H H 28 8.056 8.056 8.129 -0.073 19479 7341 1 19 . 1 1 29 29 VAL N N 29 115.103 115.103 117.676 -2.573 19479 7342 1 19 . 1 1 29 29 VAL HA H 29 4.457 4.457 4.516 -0.059 19479 7343 1 19 . 1 1 29 29 VAL CA C 29 59.845 59.845 59.787 0.058 19479 7344 1 19 . 1 1 29 29 VAL CB C 29 35.477 35.477 34.561 0.916 19479 7345 1 19 . 1 1 29 29 VAL H H 29 7.044 7.044 7.538 -0.494 19479 7346 1 19 . 1 1 30 30 SER N N 30 115.417 115.417 114.905 0.512 19479 7347 1 19 . 1 1 30 30 SER HA H 30 4.683 4.683 4.875 -0.192 19479 7348 1 19 . 1 1 30 30 SER CA C 30 56.970 56.970 57.690 -0.720 19479 7349 1 19 . 1 1 30 30 SER CB C 30 65.294 65.294 64.618 0.676 19479 7350 1 19 . 1 1 30 30 SER H H 30 8.151 8.151 8.246 -0.095 19479 7351 1 19 . 1 1 31 31 GLY N N 31 112.008 112.008 115.255 -3.247 19479 7352 1 19 . 1 1 31 31 GLY CA C 31 46.545 46.545 45.216 1.329 19479 7353 1 19 . 1 1 31 31 GLY H H 31 8.573 8.573 8.950 -0.377 19479 7354 1 19 . 1 1 32 32 ILE N N 32 121.204 121.204 121.885 -0.681 19479 7355 1 19 . 1 1 32 32 ILE HA H 32 3.898 3.898 4.301 -0.403 19479 7356 1 19 . 1 1 32 32 ILE CA C 32 63.126 63.126 59.464 3.662 19479 7357 1 19 . 1 1 32 32 ILE CB C 32 38.993 38.993 37.249 1.744 19479 7358 1 19 . 1 1 32 32 ILE H H 32 8.241 8.241 8.138 0.103 19479 7359 1 19 . 1 1 33 33 GLY N N 33 115.038 115.038 114.734 0.304 19479 7360 1 19 . 1 1 33 33 GLY CA C 33 44.330 44.330 43.498 0.832 19479 7361 1 19 . 1 1 33 33 GLY H H 33 8.760 8.760 8.539 0.221 19479 7362 1 19 . 1 1 34 34 ILE N N 34 110.067 110.067 119.523 -9.456 19479 7363 1 19 . 1 1 34 34 ILE HA H 34 4.017 4.017 3.818 0.199 19479 7364 1 19 . 1 1 34 34 ILE CA C 34 64.500 64.500 64.296 0.204 19479 7365 1 19 . 1 1 34 34 ILE CB C 34 37.731 37.731 37.757 -0.026 19479 7366 1 19 . 1 1 34 34 ILE H H 34 8.566 8.566 8.422 0.144 19479 7367 1 19 . 1 1 35 35 LEU N N 35 117.052 117.052 113.434 3.618 19479 7368 1 19 . 1 1 35 35 LEU HA H 35 4.692 4.692 4.598 0.094 19479 7369 1 19 . 1 1 35 35 LEU CA C 35 53.247 53.247 53.630 -0.383 19479 7370 1 19 . 1 1 35 35 LEU CB C 35 42.094 42.094 41.391 0.703 19479 7371 1 19 . 1 1 35 35 LEU H H 35 8.191 8.191 7.743 0.448 19479 7372 1 19 . 1 1 36 36 ASP N N 36 121.535 121.535 123.027 -1.492 19479 7373 1 19 . 1 1 36 36 ASP HA H 36 4.387 4.387 4.614 -0.227 19479 7374 1 19 . 1 1 36 36 ASP CA C 36 55.244 55.244 55.498 -0.254 19479 7375 1 19 . 1 1 36 36 ASP CB C 36 41.170 41.170 42.073 -0.903 19479 7376 1 19 . 1 1 36 36 ASP H H 36 7.098 7.098 7.525 -0.427 19479 7377 1 19 . 1 1 37 37 ASN N N 37 123.266 123.266 123.402 -0.136 19479 7378 1 19 . 1 1 37 37 ASN HA H 37 4.954 4.954 5.216 -0.262 19479 7379 1 19 . 1 1 37 37 ASN CA C 37 53.319 53.319 53.832 -0.513 19479 7380 1 19 . 1 1 37 37 ASN CB C 37 39.610 39.610 39.481 0.129 19479 7381 1 19 . 1 1 37 37 ASN H H 37 9.116 9.116 8.706 0.410 19479 7382 1 19 . 1 1 38 38 PHE N N 38 126.469 126.469 127.303 -0.834 19479 7383 1 19 . 1 1 38 38 PHE HA H 38 3.393 3.393 3.689 -0.296 19479 7384 1 19 . 1 1 38 38 PHE CA C 38 61.965 61.965 62.489 -0.524 19479 7385 1 19 . 1 1 38 38 PHE CB C 38 40.851 40.851 38.649 2.202 19479 7386 1 19 . 1 1 38 38 PHE H H 38 9.344 9.344 8.947 0.397 19479 7387 1 19 . 1 1 39 39 PHE N N 39 112.189 112.189 114.089 -1.900 19479 7388 1 19 . 1 1 39 39 PHE HA H 39 3.933 3.933 4.301 -0.368 19479 7389 1 19 . 1 1 39 39 PHE CA C 39 59.682 59.682 60.463 -0.781 19479 7390 1 19 . 1 1 39 39 PHE CB C 39 38.040 38.040 38.252 -0.212 19479 7391 1 19 . 1 1 39 39 PHE H H 39 8.052 8.052 8.146 -0.094 19479 7392 1 19 . 1 1 40 40 GLN N N 40 119.928 119.928 120.591 -0.663 19479 7393 1 19 . 1 1 40 40 GLN HA H 40 4.392 4.392 4.173 0.219 19479 7394 1 19 . 1 1 40 40 GLN CA C 40 57.191 57.191 58.017 -0.826 19479 7395 1 19 . 1 1 40 40 GLN CB C 40 29.466 29.466 27.881 1.585 19479 7396 1 19 . 1 1 40 40 GLN H H 40 8.297 8.297 7.892 0.405 19479 7397 1 19 . 1 1 41 41 ILE N N 41 110.997 110.997 117.812 -6.815 19479 7398 1 19 . 1 1 41 41 ILE HA H 41 4.493 4.493 3.920 0.573 19479 7399 1 19 . 1 1 41 41 ILE CA C 41 61.348 61.348 62.241 -0.893 19479 7400 1 19 . 1 1 41 41 ILE CB C 41 37.882 37.882 38.118 -0.236 19479 7401 1 19 . 1 1 41 41 ILE H H 41 7.133 7.133 7.699 -0.566 19479 7402 1 19 . 1 1 42 42 GLY N N 42 106.355 106.355 106.423 -0.068 19479 7403 1 19 . 1 1 42 42 GLY CA C 42 44.679 44.679 44.662 0.017 19479 7404 1 19 . 1 1 42 42 GLY H H 42 7.433 7.433 7.587 -0.154 19479 7405 1 19 . 1 1 43 43 GLY N N 43 107.808 107.808 108.463 -0.655 19479 7406 1 19 . 1 1 43 43 GLY CA C 43 45.389 45.389 44.304 1.085 19479 7407 1 19 . 1 1 43 43 GLY H H 43 7.826 7.826 7.346 0.479 19479 7408 1 19 . 1 1 44 44 HIS N N 44 112.337 112.337 116.861 -4.524 19479 7409 1 19 . 1 1 44 44 HIS HA H 44 4.979 4.979 4.983 -0.004 19479 7410 1 19 . 1 1 44 44 HIS CA C 44 54.773 54.773 55.027 -0.254 19479 7411 1 19 . 1 1 44 44 HIS CB C 44 31.867 31.867 30.652 1.215 19479 7412 1 19 . 1 1 44 44 HIS H H 44 6.369 6.369 7.758 -1.389 19479 7413 1 19 . 1 1 45 45 ALA HA H 45 4.264 4.264 4.218 0.046 19479 7414 1 19 . 1 1 45 45 ALA CA C 45 57.581 57.581 55.504 2.077 19479 7415 1 19 . 1 1 45 45 ALA CB C 45 18.718 18.718 18.315 0.403 19479 7416 1 19 . 1 1 46 46 LEU N N 46 117.791 117.791 118.015 -0.224 19479 7417 1 19 . 1 1 46 46 LEU HA H 46 4.420 4.420 4.147 0.273 19479 7418 1 19 . 1 1 46 46 LEU CA C 46 58.559 58.559 57.868 0.691 19479 7419 1 19 . 1 1 46 46 LEU CB C 46 41.652 41.652 41.295 0.357 19479 7420 1 19 . 1 1 46 46 LEU H H 46 8.807 8.807 8.334 0.473 19479 7421 1 19 . 1 1 47 47 LYS N N 47 118.822 118.822 118.172 0.650 19479 7422 1 19 . 1 1 47 47 LYS HA H 47 4.200 4.200 3.929 0.271 19479 7423 1 19 . 1 1 47 47 LYS CA C 47 58.352 58.352 58.535 -0.183 19479 7424 1 19 . 1 1 47 47 LYS CB C 47 32.994 32.994 31.469 1.525 19479 7425 1 19 . 1 1 47 47 LYS H H 47 7.589 7.589 7.225 0.364 19479 7426 1 19 . 1 1 48 48 ALA N N 48 122.769 122.769 122.820 -0.051 19479 7427 1 19 . 1 1 48 48 ALA HA H 48 3.575 3.575 3.579 -0.004 19479 7428 1 19 . 1 1 48 48 ALA CA C 48 55.102 55.102 55.094 0.008 19479 7429 1 19 . 1 1 48 48 ALA CB C 48 18.239 18.239 18.048 0.191 19479 7430 1 19 . 1 1 48 48 ALA H H 48 8.736 8.736 8.289 0.447 19479 7431 1 19 . 1 1 49 49 MET N N 49 116.936 116.936 117.061 -0.125 19479 7432 1 19 . 1 1 49 49 MET HA H 49 4.169 4.169 4.070 0.099 19479 7433 1 19 . 1 1 49 49 MET CA C 49 58.869 58.869 58.136 0.733 19479 7434 1 19 . 1 1 49 49 MET CB C 49 32.511 32.511 31.854 0.657 19479 7435 1 19 . 1 1 49 49 MET H H 49 8.000 8.000 7.727 0.273 19479 7436 1 19 . 1 1 50 50 ALA N N 50 123.686 123.686 122.011 1.675 19479 7437 1 19 . 1 1 50 50 ALA HA H 50 4.401 4.401 4.078 0.323 19479 7438 1 19 . 1 1 50 50 ALA CA C 50 55.265 55.265 55.189 0.076 19479 7439 1 19 . 1 1 50 50 ALA CB C 50 18.320 18.320 18.123 0.196 19479 7440 1 19 . 1 1 50 50 ALA H H 50 7.389 7.389 7.736 -0.347 19479 7441 1 19 . 1 1 51 51 VAL N N 51 118.885 118.885 119.255 -0.370 19479 7442 1 19 . 1 1 51 51 VAL HA H 51 3.437 3.437 3.613 -0.176 19479 7443 1 19 . 1 1 51 51 VAL CA C 51 66.975 66.975 66.539 0.436 19479 7444 1 19 . 1 1 51 51 VAL CB C 51 31.268 31.268 31.256 0.012 19479 7445 1 19 . 1 1 51 51 VAL H H 51 7.981 7.981 7.772 0.209 19479 7446 1 19 . 1 1 52 52 ALA N N 52 121.555 121.555 122.065 -0.510 19479 7447 1 19 . 1 1 52 52 ALA HA H 52 3.990 3.990 3.823 0.167 19479 7448 1 19 . 1 1 52 52 ALA CA C 52 56.056 56.056 55.068 0.988 19479 7449 1 19 . 1 1 52 52 ALA CB C 52 18.099 18.099 17.954 0.145 19479 7450 1 19 . 1 1 52 52 ALA H H 52 8.499 8.499 7.927 0.572 19479 7451 1 19 . 1 1 53 53 ALA N N 53 121.958 121.958 120.807 1.151 19479 7452 1 19 . 1 1 53 53 ALA HA H 53 4.346 4.346 3.914 0.432 19479 7453 1 19 . 1 1 53 53 ALA CA C 53 55.454 55.454 55.030 0.424 19479 7454 1 19 . 1 1 53 53 ALA CB C 53 18.079 18.079 18.310 -0.231 19479 7455 1 19 . 1 1 53 53 ALA H H 53 8.238 8.238 8.052 0.186 19479 7456 1 19 . 1 1 54 54 GLN N N 54 118.520 118.520 117.903 0.617 19479 7457 1 19 . 1 1 54 54 GLN HA H 54 4.157 4.157 4.142 0.015 19479 7458 1 19 . 1 1 54 54 GLN CA C 54 59.303 59.303 58.472 0.831 19479 7459 1 19 . 1 1 54 54 GLN CB C 54 28.684 28.684 28.968 -0.284 19479 7460 1 19 . 1 1 54 54 GLN H H 54 7.914 7.914 7.695 0.219 19479 7461 1 19 . 1 1 55 55 VAL N N 55 121.643 121.643 121.343 0.300 19479 7462 1 19 . 1 1 55 55 VAL HA H 55 3.673 3.673 3.866 -0.193 19479 7463 1 19 . 1 1 55 55 VAL CA C 55 67.521 67.521 67.116 0.405 19479 7464 1 19 . 1 1 55 55 VAL CB C 55 31.569 31.569 31.420 0.149 19479 7465 1 19 . 1 1 55 55 VAL H H 55 8.915 8.915 8.387 0.528 19479 7466 1 19 . 1 1 56 56 HIS N N 56 120.993 120.993 119.564 1.429 19479 7467 1 19 . 1 1 56 56 HIS HA H 56 4.314 4.314 4.701 -0.387 19479 7468 1 19 . 1 1 56 56 HIS CA C 56 60.994 60.994 58.925 2.069 19479 7469 1 19 . 1 1 56 56 HIS CB C 56 30.226 30.226 29.953 0.273 19479 7470 1 19 . 1 1 56 56 HIS H H 56 8.328 8.328 8.534 -0.206 19479 7471 1 19 . 1 1 57 57 ARG N N 57 119.241 119.241 117.884 1.357 19479 7472 1 19 . 1 1 57 57 ARG HA H 57 3.963 3.963 4.258 -0.295 19479 7473 1 19 . 1 1 57 57 ARG CA C 57 59.269 59.269 58.567 0.702 19479 7474 1 19 . 1 1 57 57 ARG CB C 57 30.220 30.220 29.913 0.307 19479 7475 1 19 . 1 1 57 57 ARG H H 57 7.849 7.849 7.738 0.111 19479 7476 1 19 . 1 1 58 58 GLU N N 58 116.079 116.079 118.887 -2.808 19479 7477 1 19 . 1 1 58 58 GLU HA H 58 3.944 3.944 4.260 -0.316 19479 7478 1 19 . 1 1 58 58 GLU CA C 58 58.351 58.351 58.464 -0.113 19479 7479 1 19 . 1 1 58 58 GLU CB C 58 30.571 30.571 30.688 -0.117 19479 7480 1 19 . 1 1 58 58 GLU H H 58 7.874 7.874 8.110 -0.236 19479 7481 1 19 . 1 1 59 59 TYR N N 59 112.274 112.274 116.507 -4.233 19479 7482 1 19 . 1 1 59 59 TYR HA H 59 4.686 4.686 4.497 0.189 19479 7483 1 19 . 1 1 59 59 TYR CA C 59 58.616 58.616 58.517 0.099 19479 7484 1 19 . 1 1 59 59 TYR CB C 59 40.589 40.589 38.250 2.339 19479 7485 1 19 . 1 1 59 59 TYR H H 59 8.303 8.303 8.442 -0.139 19479 7486 1 19 . 1 1 60 60 GLN N N 60 115.629 115.629 114.958 0.671 19479 7487 1 19 . 1 1 60 60 GLN HA H 60 3.481 3.481 4.271 -0.790 19479 7488 1 19 . 1 1 60 60 GLN CA C 60 57.418 57.418 56.693 0.725 19479 7489 1 19 . 1 1 60 60 GLN CB C 60 25.628 25.628 26.944 -1.316 19479 7490 1 19 . 1 1 60 60 GLN H H 60 8.382 8.382 7.828 0.554 19479 7491 1 19 . 1 1 61 61 VAL N N 61 114.547 114.547 117.223 -2.676 19479 7492 1 19 . 1 1 61 61 VAL HA H 61 4.347 4.347 4.181 0.166 19479 7493 1 19 . 1 1 61 61 VAL CA C 61 60.118 60.118 59.935 0.183 19479 7494 1 19 . 1 1 61 61 VAL CB C 61 35.547 35.547 35.219 0.328 19479 7495 1 19 . 1 1 61 61 VAL H H 61 6.532 6.532 7.889 -1.357 19479 7496 1 19 . 1 1 62 62 GLU N N 62 125.938 125.938 128.146 -2.208 19479 7497 1 19 . 1 1 62 62 GLU HA H 62 4.270 4.270 3.261 1.009 19479 7498 1 19 . 1 1 62 62 GLU CA C 62 55.857 55.857 56.627 -0.770 19479 7499 1 19 . 1 1 62 62 GLU CB C 62 30.334 30.334 29.489 0.845 19479 7500 1 19 . 1 1 62 62 GLU H H 62 8.741 8.741 8.345 0.396 19479 7501 1 19 . 1 1 63 63 LEU N N 63 127.837 127.837 129.974 -2.137 19479 7502 1 19 . 1 1 63 63 LEU HA H 63 4.845 4.845 4.676 0.169 19479 7503 1 19 . 1 1 63 63 LEU CA C 63 50.751 50.751 50.871 -0.120 19479 7504 1 19 . 1 1 63 63 LEU CB C 63 43.313 43.313 42.947 0.366 19479 7505 1 19 . 1 1 63 63 LEU H H 63 8.939 8.939 8.135 0.804 19479 7506 1 19 . 1 1 64 64 PRO HA H 64 4.446 4.446 4.468 -0.022 19479 7507 1 19 . 1 1 64 64 PRO CA C 64 62.060 62.060 61.541 0.519 19479 7508 1 19 . 1 1 64 64 PRO CB C 64 32.346 32.346 33.005 -0.659 19479 7509 1 19 . 1 1 65 65 LEU N N 65 126.325 126.325 122.483 3.842 19479 7510 1 19 . 1 1 65 65 LEU HA H 65 3.772 3.772 3.939 -0.167 19479 7511 1 19 . 1 1 65 65 LEU CA C 65 58.426 58.426 57.744 0.682 19479 7512 1 19 . 1 1 65 65 LEU CB C 65 40.688 40.688 41.586 -0.898 19479 7513 1 19 . 1 1 65 65 LEU H H 65 8.746 8.746 8.883 -0.137 19479 7514 1 19 . 1 1 66 66 LYS N N 66 114.157 114.157 118.860 -4.703 19479 7515 1 19 . 1 1 66 66 LYS HA H 66 3.999 3.999 4.464 -0.465 19479 7516 1 19 . 1 1 66 66 LYS CA C 66 59.383 59.383 59.003 0.380 19479 7517 1 19 . 1 1 66 66 LYS CB C 66 32.166 32.166 31.645 0.521 19479 7518 1 19 . 1 1 66 66 LYS H H 66 8.551 8.551 8.576 -0.025 19479 7519 1 19 . 1 1 67 67 VAL N N 67 119.827 119.827 120.027 -0.200 19479 7520 1 19 . 1 1 67 67 VAL HA H 67 3.611 3.611 3.672 -0.061 19479 7521 1 19 . 1 1 67 67 VAL CA C 67 65.655 65.655 65.109 0.546 19479 7522 1 19 . 1 1 67 67 VAL CB C 67 31.425 31.425 31.184 0.241 19479 7523 1 19 . 1 1 67 67 VAL H H 67 7.190 7.190 7.831 -0.641 19479 7524 1 19 . 1 1 68 68 LEU N N 68 120.867 120.867 122.487 -1.620 19479 7525 1 19 . 1 1 68 68 LEU HA H 68 3.922 3.922 3.860 0.062 19479 7526 1 19 . 1 1 68 68 LEU CA C 68 58.322 58.322 58.132 0.190 19479 7527 1 19 . 1 1 68 68 LEU CB C 68 41.911 41.911 41.059 0.852 19479 7528 1 19 . 1 1 68 68 LEU H H 68 6.936 6.936 7.415 -0.479 19479 7529 1 19 . 1 1 69 69 PHE N N 69 112.682 112.682 116.421 -3.739 19479 7530 1 19 . 1 1 69 69 PHE HA H 69 4.265 4.265 4.724 -0.459 19479 7531 1 19 . 1 1 69 69 PHE CA C 69 60.265 60.265 59.928 0.337 19479 7532 1 19 . 1 1 69 69 PHE CB C 69 38.725 38.725 38.709 0.015 19479 7533 1 19 . 1 1 69 69 PHE H H 69 8.201 8.201 8.694 -0.493 19479 7534 1 19 . 1 1 70 70 ALA N N 70 118.803 118.803 122.022 -3.219 19479 7535 1 19 . 1 1 70 70 ALA HA H 70 4.302 4.302 3.474 0.828 19479 7536 1 19 . 1 1 70 70 ALA CA C 70 54.025 54.025 53.389 0.636 19479 7537 1 19 . 1 1 70 70 ALA CB C 70 19.656 19.656 19.155 0.501 19479 7538 1 19 . 1 1 70 70 ALA H H 70 7.448 7.448 7.166 0.282 19479 7539 1 19 . 1 1 71 71 GLN N N 71 116.280 116.280 115.214 1.066 19479 7540 1 19 . 1 1 71 71 GLN HA H 71 4.848 4.848 4.740 0.108 19479 7541 1 19 . 1 1 71 71 GLN CA C 71 53.120 53.120 52.459 0.661 19479 7542 1 19 . 1 1 71 71 GLN CB C 71 29.026 29.026 30.002 -0.976 19479 7543 1 19 . 1 1 71 71 GLN H H 71 7.561 7.561 8.025 -0.464 19479 7544 1 19 . 1 1 72 72 PRO HA H 72 4.989 4.989 4.734 0.255 19479 7545 1 19 . 1 1 72 72 PRO CA C 72 64.307 64.307 62.930 1.377 19479 7546 1 19 . 1 1 72 72 PRO CB C 72 30.240 30.240 30.365 -0.125 19479 7547 1 19 . 1 1 73 73 THR N N 73 109.972 109.972 112.457 -2.485 19479 7548 1 19 . 1 1 73 73 THR HA H 73 5.198 5.198 5.282 -0.084 19479 7549 1 19 . 1 1 73 73 THR CA C 73 59.292 59.292 59.698 -0.406 19479 7550 1 19 . 1 1 73 73 THR CB C 73 72.314 72.314 72.905 -0.591 19479 7551 1 19 . 1 1 73 73 THR H H 73 8.303 8.303 8.034 0.269 19479 7552 1 19 . 1 1 74 74 ILE N N 74 125.105 125.105 123.639 1.466 19479 7553 1 19 . 1 1 74 74 ILE HA H 74 3.061 3.061 3.350 -0.289 19479 7554 1 19 . 1 1 74 74 ILE CA C 74 66.019 66.019 64.338 1.681 19479 7555 1 19 . 1 1 74 74 ILE CB C 74 37.443 37.443 36.828 0.615 19479 7556 1 19 . 1 1 74 74 ILE H H 74 9.908 9.908 8.914 0.994 19479 7557 1 19 . 1 1 75 75 LYS N N 75 119.445 119.445 121.113 -1.668 19479 7558 1 19 . 1 1 75 75 LYS HA H 75 3.797 3.797 3.831 -0.034 19479 7559 1 19 . 1 1 75 75 LYS CA C 75 60.205 60.205 60.269 -0.064 19479 7560 1 19 . 1 1 75 75 LYS CB C 75 33.098 33.098 32.094 1.004 19479 7561 1 19 . 1 1 75 75 LYS H H 75 9.024 9.024 8.001 1.023 19479 7562 1 19 . 1 1 76 76 ALA N N 76 119.581 119.581 121.087 -1.506 19479 7563 1 19 . 1 1 76 76 ALA HA H 76 4.216 4.216 4.374 -0.158 19479 7564 1 19 . 1 1 76 76 ALA CA C 76 54.809 54.809 54.789 0.019 19479 7565 1 19 . 1 1 76 76 ALA CB C 76 19.422 19.422 18.182 1.240 19479 7566 1 19 . 1 1 76 76 ALA H H 76 7.621 7.621 8.295 -0.674 19479 7567 1 19 . 1 1 77 77 LEU N N 77 121.833 121.833 118.975 2.858 19479 7568 1 19 . 1 1 77 77 LEU HA H 77 4.097 4.097 4.020 0.077 19479 7569 1 19 . 1 1 77 77 LEU CA C 77 57.612 57.612 57.500 0.112 19479 7570 1 19 . 1 1 77 77 LEU CB C 77 42.192 42.192 41.455 0.737 19479 7571 1 19 . 1 1 77 77 LEU H H 77 8.915 8.915 7.978 0.937 19479 7572 1 19 . 1 1 78 78 ALA N N 78 120.481 120.481 122.563 -2.082 19479 7573 1 19 . 1 1 78 78 ALA HA H 78 3.751 3.751 3.913 -0.162 19479 7574 1 19 . 1 1 78 78 ALA CA C 78 55.117 55.117 55.591 -0.474 19479 7575 1 19 . 1 1 78 78 ALA CB C 78 19.603 19.603 18.284 1.319 19479 7576 1 19 . 1 1 78 78 ALA H H 78 9.393 9.393 8.655 0.737 19479 7577 1 19 . 1 1 79 79 GLN N N 79 117.799 117.799 117.589 0.210 19479 7578 1 19 . 1 1 79 79 GLN HA H 79 4.069 4.069 3.995 0.074 19479 7579 1 19 . 1 1 79 79 GLN CA C 79 58.790 58.790 58.528 0.262 19479 7580 1 19 . 1 1 79 79 GLN CB C 79 28.256 28.256 28.539 -0.283 19479 7581 1 19 . 1 1 79 79 GLN H H 79 7.179 7.179 8.450 -1.271 19479 7582 1 19 . 1 1 80 80 TYR N N 80 121.754 121.754 122.376 -0.622 19479 7583 1 19 . 1 1 80 80 TYR HA H 80 3.982 3.982 4.090 -0.108 19479 7584 1 19 . 1 1 80 80 TYR CA C 80 61.965 61.965 61.611 0.354 19479 7585 1 19 . 1 1 80 80 TYR CB C 80 38.227 38.227 38.728 -0.501 19479 7586 1 19 . 1 1 80 80 TYR H H 80 7.716 7.716 7.964 -0.248 19479 7587 1 19 . 1 1 81 81 VAL N N 81 117.864 117.864 119.070 -1.206 19479 7588 1 19 . 1 1 81 81 VAL HA H 81 3.264 3.264 3.496 -0.232 19479 7589 1 19 . 1 1 81 81 VAL CA C 81 66.719 66.719 65.811 0.908 19479 7590 1 19 . 1 1 81 81 VAL CB C 81 32.032 32.032 31.477 0.555 19479 7591 1 19 . 1 1 81 81 VAL H H 81 8.536 8.536 8.545 -0.009 19479 7592 1 19 . 1 1 82 82 ALA N N 82 121.044 121.044 122.387 -1.343 19479 7593 1 19 . 1 1 82 82 ALA HA H 82 3.931 3.931 3.870 0.061 19479 7594 1 19 . 1 1 82 82 ALA CA C 82 55.130 55.130 55.658 -0.528 19479 7595 1 19 . 1 1 82 82 ALA CB C 82 18.588 18.588 18.055 0.533 19479 7596 1 19 . 1 1 82 82 ALA H H 82 8.420 8.420 8.354 0.066 19479 7597 1 19 . 1 1 83 83 THR N N 83 109.020 109.020 110.668 -1.648 19479 7598 1 19 . 1 1 83 83 THR HA H 83 4.081 4.081 3.194 0.887 19479 7599 1 19 . 1 1 83 83 THR CA C 83 64.388 64.388 64.162 0.226 19479 7600 1 19 . 1 1 83 83 THR CB C 83 69.529 69.529 68.589 0.940 19479 7601 1 19 . 1 1 83 83 THR H H 83 7.558 7.558 7.526 0.032 19479 7602 1 19 . 1 1 84 84 ARG N N 84 119.856 119.856 118.352 1.504 19479 7603 1 19 . 1 1 84 84 ARG HA H 84 4.199 4.199 4.061 0.138 19479 7604 1 19 . 1 1 84 84 ARG CA C 84 56.279 56.279 58.023 -1.744 19479 7605 1 19 . 1 1 84 84 ARG CB C 84 30.866 30.866 30.278 0.588 19479 7606 1 19 . 1 1 84 84 ARG H H 84 7.368 7.368 7.237 0.131 19479 7607 1 19 . 1 1 85 85 SER N N 85 114.607 114.607 113.529 1.078 19479 7608 1 19 . 1 1 85 85 SER HA H 85 4.301 4.301 4.288 0.013 19479 7609 1 19 . 1 1 85 85 SER CA C 85 58.927 58.927 61.125 -2.198 19479 7610 1 19 . 1 1 85 85 SER CB C 85 63.778 63.778 63.838 -0.060 19479 7611 1 19 . 1 1 85 85 SER H H 85 7.783 7.783 7.843 -0.060 19479 7612 1 19 . 1 1 86 86 HIS HA H 86 4.608 4.608 3.986 0.622 19479 7613 1 19 . 1 1 86 86 HIS CA C 86 56.102 56.102 55.999 0.103 19479 7614 1 19 . 1 1 86 86 HIS CB C 86 30.233 30.233 28.888 1.345 19479 7615 1 19 . 1 1 87 87 HIS N N 87 125.453 125.453 120.067 5.386 19479 7616 1 19 . 1 1 87 87 HIS HA H 87 4.421 4.421 4.578 -0.157 19479 7617 1 19 . 1 1 87 87 HIS CA C 87 57.381 57.381 53.551 3.830 19479 7618 1 19 . 1 1 87 87 HIS CB C 87 30.430 30.430 29.742 0.688 19479 7619 1 19 . 1 1 87 87 HIS H H 87 8.102 8.102 7.485 0.617 19479 7620 1 20 . 1 1 3 3 VAL HA H 3 4.160 4.160 4.128 0.032 19479 7621 1 20 . 1 1 3 3 VAL CA C 3 63.130 63.130 62.455 0.675 19479 7622 1 20 . 1 1 3 3 VAL CB C 3 32.605 32.605 32.465 0.140 19479 7623 1 20 . 1 1 4 4 THR N N 4 117.074 117.074 119.322 -2.248 19479 7624 1 20 . 1 1 4 4 THR HA H 4 4.454 4.454 4.502 -0.048 19479 7625 1 20 . 1 1 4 4 THR CA C 4 61.454 61.454 62.216 -0.762 19479 7626 1 20 . 1 1 4 4 THR CB C 4 70.203 70.203 70.037 0.166 19479 7627 1 20 . 1 1 4 4 THR H H 4 8.269 8.269 8.305 -0.036 19479 7628 1 20 . 1 1 5 5 GLU N N 5 122.628 122.628 125.427 -2.799 19479 7629 1 20 . 1 1 5 5 GLU HA H 5 4.305 4.305 4.439 -0.134 19479 7630 1 20 . 1 1 5 5 GLU CA C 5 56.689 56.689 56.231 0.458 19479 7631 1 20 . 1 1 5 5 GLU CB C 5 30.297 30.297 29.671 0.626 19479 7632 1 20 . 1 1 5 5 GLU H H 5 8.465 8.465 8.717 -0.252 19479 7633 1 20 . 1 1 6 6 ALA N N 6 124.915 124.915 123.072 1.843 19479 7634 1 20 . 1 1 6 6 ALA HA H 6 4.301 4.301 4.303 -0.002 19479 7635 1 20 . 1 1 6 6 ALA CA C 6 52.392 52.392 51.872 0.520 19479 7636 1 20 . 1 1 6 6 ALA CB C 6 19.520 19.520 19.768 -0.248 19479 7637 1 20 . 1 1 6 6 ALA H H 6 8.333 8.333 7.786 0.547 19479 7638 1 20 . 1 1 7 7 GLN N N 7 120.476 120.476 119.618 0.858 19479 7639 1 20 . 1 1 7 7 GLN HA H 7 4.275 4.275 4.563 -0.288 19479 7640 1 20 . 1 1 7 7 GLN CA C 7 55.512 55.512 54.387 1.125 19479 7641 1 20 . 1 1 7 7 GLN CB C 7 29.495 29.495 30.697 -1.202 19479 7642 1 20 . 1 1 7 7 GLN H H 7 8.340 8.340 8.369 -0.029 19479 7643 1 20 . 1 1 8 8 TYR N N 8 124.499 124.499 123.471 1.028 19479 7644 1 20 . 1 1 8 8 TYR HA H 8 4.386 4.386 4.391 -0.005 19479 7645 1 20 . 1 1 8 8 TYR CA C 8 60.233 60.233 59.081 1.152 19479 7646 1 20 . 1 1 8 8 TYR CB C 8 38.173 38.173 38.763 -0.590 19479 7647 1 20 . 1 1 8 8 TYR H H 8 8.506 8.506 8.257 0.249 19479 7648 1 20 . 1 1 9 9 VAL N N 9 130.011 130.011 128.477 1.534 19479 7649 1 20 . 1 1 9 9 VAL HA H 9 3.748 3.748 3.774 -0.026 19479 7650 1 20 . 1 1 9 9 VAL CA C 9 61.317 61.317 61.181 0.136 19479 7651 1 20 . 1 1 9 9 VAL CB C 9 34.738 34.738 34.483 0.255 19479 7652 1 20 . 1 1 9 9 VAL H H 9 6.756 6.756 8.331 -1.575 19479 7653 1 20 . 1 1 10 10 ALA N N 10 130.264 130.264 129.680 0.584 19479 7654 1 20 . 1 1 10 10 ALA HA H 10 4.172 4.172 4.780 -0.608 19479 7655 1 20 . 1 1 10 10 ALA CA C 10 50.602 50.602 50.697 -0.095 19479 7656 1 20 . 1 1 10 10 ALA CB C 10 17.676 17.676 18.494 -0.818 19479 7657 1 20 . 1 1 10 10 ALA H H 10 8.125 8.125 7.995 0.130 19479 7658 1 20 . 1 1 11 11 PRO HA H 11 4.186 4.186 4.267 -0.081 19479 7659 1 20 . 1 1 11 11 PRO CA C 11 63.808 63.808 62.959 0.849 19479 7660 1 20 . 1 1 11 11 PRO CB C 11 32.674 32.674 32.219 0.455 19479 7661 1 20 . 1 1 12 12 THR N N 12 113.591 113.591 115.544 -1.953 19479 7662 1 20 . 1 1 12 12 THR HA H 12 4.469 4.469 4.461 0.008 19479 7663 1 20 . 1 1 12 12 THR CA C 12 61.950 61.950 61.414 0.536 19479 7664 1 20 . 1 1 12 12 THR CB C 12 71.622 71.622 69.795 1.827 19479 7665 1 20 . 1 1 12 12 THR H H 12 9.701 9.701 9.019 0.682 19479 7666 1 20 . 1 1 13 13 ASN N N 13 116.088 116.088 120.215 -4.127 19479 7667 1 20 . 1 1 13 13 ASN HA H 13 4.771 4.771 4.869 -0.098 19479 7668 1 20 . 1 1 13 13 ASN CA C 13 51.947 51.947 52.198 -0.251 19479 7669 1 20 . 1 1 13 13 ASN CB C 13 39.736 39.736 41.114 -1.378 19479 7670 1 20 . 1 1 13 13 ASN H H 13 7.423 7.423 8.022 -0.599 19479 7671 1 20 . 1 1 14 14 ALA HA H 14 4.136 4.136 4.092 0.044 19479 7672 1 20 . 1 1 14 14 ALA CA C 14 55.484 55.484 54.807 0.677 19479 7673 1 20 . 1 1 14 14 ALA CB C 14 19.020 19.020 18.640 0.380 19479 7674 1 20 . 1 1 15 15 VAL N N 15 120.332 120.332 117.919 2.413 19479 7675 1 20 . 1 1 15 15 VAL HA H 15 4.191 4.191 3.707 0.484 19479 7676 1 20 . 1 1 15 15 VAL CA C 15 65.158 65.158 66.488 -1.330 19479 7677 1 20 . 1 1 15 15 VAL CB C 15 31.513 31.513 31.230 0.283 19479 7678 1 20 . 1 1 15 15 VAL H H 15 7.938 7.938 8.891 -0.953 19479 7679 1 20 . 1 1 16 16 GLU N N 16 118.751 118.751 119.730 -0.979 19479 7680 1 20 . 1 1 16 16 GLU HA H 16 3.550 3.550 3.853 -0.303 19479 7681 1 20 . 1 1 16 16 GLU CA C 16 59.495 59.495 59.792 -0.297 19479 7682 1 20 . 1 1 16 16 GLU CB C 16 30.851 30.851 28.991 1.860 19479 7683 1 20 . 1 1 16 16 GLU H H 16 8.470 8.470 8.515 -0.045 19479 7684 1 20 . 1 1 17 17 SER N N 17 112.637 112.637 113.853 -1.216 19479 7685 1 20 . 1 1 17 17 SER HA H 17 3.968 3.968 4.115 -0.147 19479 7686 1 20 . 1 1 17 17 SER CA C 17 62.523 62.523 61.910 0.613 19479 7687 1 20 . 1 1 17 17 SER CB C 17 62.669 62.669 62.899 -0.230 19479 7688 1 20 . 1 1 17 17 SER H H 17 8.386 8.386 8.084 0.302 19479 7689 1 20 . 1 1 18 18 LYS N N 18 124.394 124.394 121.688 2.706 19479 7690 1 20 . 1 1 18 18 LYS HA H 18 4.287 4.287 4.101 0.186 19479 7691 1 20 . 1 1 18 18 LYS CA C 18 57.421 57.421 58.862 -1.441 19479 7692 1 20 . 1 1 18 18 LYS CB C 18 30.018 30.018 32.086 -2.068 19479 7693 1 20 . 1 1 18 18 LYS H H 18 8.104 8.104 7.548 0.556 19479 7694 1 20 . 1 1 19 19 LEU N N 19 118.589 118.589 120.036 -1.447 19479 7695 1 20 . 1 1 19 19 LEU HA H 19 4.027 4.027 4.087 -0.060 19479 7696 1 20 . 1 1 19 19 LEU CA C 19 58.178 58.178 58.469 -0.291 19479 7697 1 20 . 1 1 19 19 LEU CB C 19 42.135 42.135 41.208 0.927 19479 7698 1 20 . 1 1 19 19 LEU H H 19 8.742 8.742 7.731 1.011 19479 7699 1 20 . 1 1 20 20 ALA N N 20 121.037 121.037 121.239 -0.202 19479 7700 1 20 . 1 1 20 20 ALA HA H 20 3.775 3.775 3.770 0.005 19479 7701 1 20 . 1 1 20 20 ALA CA C 20 56.194 56.194 55.223 0.971 19479 7702 1 20 . 1 1 20 20 ALA CB C 20 16.862 16.862 18.252 -1.390 19479 7703 1 20 . 1 1 20 20 ALA H H 20 8.199 8.199 8.458 -0.259 19479 7704 1 20 . 1 1 21 21 GLU N N 21 118.948 118.948 118.594 0.354 19479 7705 1 20 . 1 1 21 21 GLU HA H 21 4.129 4.129 4.117 0.012 19479 7706 1 20 . 1 1 21 21 GLU CA C 21 59.788 59.788 58.908 0.880 19479 7707 1 20 . 1 1 21 21 GLU CB C 21 29.887 29.887 29.570 0.317 19479 7708 1 20 . 1 1 21 21 GLU H H 21 7.716 7.716 7.861 -0.145 19479 7709 1 20 . 1 1 22 22 ILE N N 22 120.355 120.355 121.495 -1.140 19479 7710 1 20 . 1 1 22 22 ILE HA H 22 3.780 3.780 3.786 -0.006 19479 7711 1 20 . 1 1 22 22 ILE CA C 22 65.850 65.850 65.329 0.521 19479 7712 1 20 . 1 1 22 22 ILE CB C 22 38.677 38.677 37.931 0.746 19479 7713 1 20 . 1 1 22 22 ILE H H 22 8.409 8.409 7.928 0.481 19479 7714 1 20 . 1 1 23 23 TRP N N 23 120.272 120.272 119.391 0.881 19479 7715 1 20 . 1 1 23 23 TRP HA H 23 4.191 4.191 4.361 -0.170 19479 7716 1 20 . 1 1 23 23 TRP CA C 23 61.819 61.819 61.739 0.080 19479 7717 1 20 . 1 1 23 23 TRP CB C 23 29.177 29.177 28.461 0.716 19479 7718 1 20 . 1 1 23 23 TRP H H 23 9.551 9.551 8.803 0.748 19479 7719 1 20 . 1 1 24 24 GLU N N 24 119.281 119.281 119.246 0.035 19479 7720 1 20 . 1 1 24 24 GLU HA H 24 4.210 4.210 4.019 0.191 19479 7721 1 20 . 1 1 24 24 GLU CA C 24 60.695 60.695 60.021 0.674 19479 7722 1 20 . 1 1 24 24 GLU CB C 24 29.397 29.397 29.157 0.239 19479 7723 1 20 . 1 1 24 24 GLU H H 24 9.039 9.039 7.917 1.122 19479 7724 1 20 . 1 1 25 25 ARG N N 25 119.408 119.408 118.657 0.751 19479 7725 1 20 . 1 1 25 25 ARG HA H 25 4.205 4.205 4.140 0.065 19479 7726 1 20 . 1 1 25 25 ARG CA C 25 59.015 59.015 58.981 0.034 19479 7727 1 20 . 1 1 25 25 ARG CB C 25 30.246 30.246 30.263 -0.017 19479 7728 1 20 . 1 1 25 25 ARG H H 25 8.060 8.060 8.124 -0.064 19479 7729 1 20 . 1 1 26 26 VAL N N 26 119.220 119.220 119.092 0.128 19479 7730 1 20 . 1 1 26 26 VAL HA H 26 3.782 3.782 3.919 -0.137 19479 7731 1 20 . 1 1 26 26 VAL CA C 26 65.845 65.845 64.838 1.007 19479 7732 1 20 . 1 1 26 26 VAL CB C 26 32.717 32.717 32.016 0.701 19479 7733 1 20 . 1 1 26 26 VAL H H 26 8.475 8.475 7.306 1.169 19479 7734 1 20 . 1 1 27 27 LEU N N 27 116.095 116.095 116.804 -0.709 19479 7735 1 20 . 1 1 27 27 LEU HA H 27 4.018 4.018 4.099 -0.081 19479 7736 1 20 . 1 1 27 27 LEU CA C 27 55.757 55.757 55.755 0.002 19479 7737 1 20 . 1 1 27 27 LEU CB C 27 42.504 42.504 42.102 0.402 19479 7738 1 20 . 1 1 27 27 LEU H H 27 9.005 9.005 8.445 0.560 19479 7739 1 20 . 1 1 28 28 GLY N N 28 108.722 108.722 107.731 0.991 19479 7740 1 20 . 1 1 28 28 GLY CA C 28 46.721 46.721 45.571 1.150 19479 7741 1 20 . 1 1 28 28 GLY H H 28 8.056 8.056 7.955 0.101 19479 7742 1 20 . 1 1 29 29 VAL N N 29 115.103 115.103 115.256 -0.153 19479 7743 1 20 . 1 1 29 29 VAL HA H 29 4.457 4.457 4.741 -0.284 19479 7744 1 20 . 1 1 29 29 VAL CA C 29 59.845 59.845 59.404 0.441 19479 7745 1 20 . 1 1 29 29 VAL CB C 29 35.477 35.477 34.040 1.437 19479 7746 1 20 . 1 1 29 29 VAL H H 29 7.044 7.044 7.538 -0.494 19479 7747 1 20 . 1 1 30 30 SER N N 30 115.417 115.417 114.906 0.511 19479 7748 1 20 . 1 1 30 30 SER HA H 30 4.683 4.683 4.756 -0.073 19479 7749 1 20 . 1 1 30 30 SER CA C 30 56.970 56.970 57.367 -0.397 19479 7750 1 20 . 1 1 30 30 SER CB C 30 65.294 65.294 64.638 0.656 19479 7751 1 20 . 1 1 30 30 SER H H 30 8.151 8.151 8.246 -0.095 19479 7752 1 20 . 1 1 31 31 GLY N N 31 112.008 112.008 112.601 -0.593 19479 7753 1 20 . 1 1 31 31 GLY CA C 31 46.545 46.545 44.901 1.644 19479 7754 1 20 . 1 1 31 31 GLY H H 31 8.573 8.573 9.068 -0.495 19479 7755 1 20 . 1 1 32 32 ILE N N 32 121.204 121.204 122.723 -1.519 19479 7756 1 20 . 1 1 32 32 ILE HA H 32 3.898 3.898 4.264 -0.366 19479 7757 1 20 . 1 1 32 32 ILE CA C 32 63.126 63.126 59.684 3.442 19479 7758 1 20 . 1 1 32 32 ILE CB C 32 38.993 38.993 37.353 1.640 19479 7759 1 20 . 1 1 32 32 ILE H H 32 8.241 8.241 7.713 0.528 19479 7760 1 20 . 1 1 33 33 GLY N N 33 115.038 115.038 114.855 0.183 19479 7761 1 20 . 1 1 33 33 GLY CA C 33 44.330 44.330 43.980 0.350 19479 7762 1 20 . 1 1 33 33 GLY H H 33 8.760 8.760 8.447 0.313 19479 7763 1 20 . 1 1 34 34 ILE N N 34 110.067 110.067 117.833 -7.766 19479 7764 1 20 . 1 1 34 34 ILE HA H 34 4.017 4.017 4.041 -0.024 19479 7765 1 20 . 1 1 34 34 ILE CA C 34 64.500 64.500 64.088 0.412 19479 7766 1 20 . 1 1 34 34 ILE CB C 34 37.731 37.731 38.384 -0.653 19479 7767 1 20 . 1 1 34 34 ILE H H 34 8.566 8.566 8.604 -0.038 19479 7768 1 20 . 1 1 35 35 LEU N N 35 117.052 117.052 114.371 2.681 19479 7769 1 20 . 1 1 35 35 LEU HA H 35 4.692 4.692 4.578 0.114 19479 7770 1 20 . 1 1 35 35 LEU CA C 35 53.247 53.247 53.748 -0.501 19479 7771 1 20 . 1 1 35 35 LEU CB C 35 42.094 42.094 40.745 1.349 19479 7772 1 20 . 1 1 35 35 LEU H H 35 8.191 8.191 7.940 0.251 19479 7773 1 20 . 1 1 36 36 ASP N N 36 121.535 121.535 121.291 0.244 19479 7774 1 20 . 1 1 36 36 ASP HA H 36 4.387 4.387 4.499 -0.112 19479 7775 1 20 . 1 1 36 36 ASP CA C 36 55.244 55.244 54.086 1.158 19479 7776 1 20 . 1 1 36 36 ASP CB C 36 41.170 41.170 41.756 -0.586 19479 7777 1 20 . 1 1 36 36 ASP H H 36 7.098 7.098 7.425 -0.327 19479 7778 1 20 . 1 1 37 37 ASN N N 37 123.266 123.266 123.216 0.050 19479 7779 1 20 . 1 1 37 37 ASN HA H 37 4.954 4.954 5.144 -0.190 19479 7780 1 20 . 1 1 37 37 ASN CA C 37 53.319 53.319 53.437 -0.118 19479 7781 1 20 . 1 1 37 37 ASN CB C 37 39.610 39.610 38.945 0.665 19479 7782 1 20 . 1 1 37 37 ASN H H 37 9.116 9.116 8.522 0.594 19479 7783 1 20 . 1 1 38 38 PHE N N 38 126.469 126.469 127.350 -0.881 19479 7784 1 20 . 1 1 38 38 PHE HA H 38 3.393 3.393 3.964 -0.571 19479 7785 1 20 . 1 1 38 38 PHE CA C 38 61.965 61.965 62.329 -0.364 19479 7786 1 20 . 1 1 38 38 PHE CB C 38 40.851 40.851 38.932 1.919 19479 7787 1 20 . 1 1 38 38 PHE H H 38 9.344 9.344 8.601 0.743 19479 7788 1 20 . 1 1 39 39 PHE N N 39 112.189 112.189 114.808 -2.619 19479 7789 1 20 . 1 1 39 39 PHE HA H 39 3.933 3.933 4.452 -0.519 19479 7790 1 20 . 1 1 39 39 PHE CA C 39 59.682 59.682 60.184 -0.503 19479 7791 1 20 . 1 1 39 39 PHE CB C 39 38.040 38.040 38.477 -0.437 19479 7792 1 20 . 1 1 39 39 PHE H H 39 8.052 8.052 8.003 0.049 19479 7793 1 20 . 1 1 40 40 GLN N N 40 119.928 119.928 120.490 -0.562 19479 7794 1 20 . 1 1 40 40 GLN HA H 40 4.392 4.392 4.167 0.225 19479 7795 1 20 . 1 1 40 40 GLN CA C 40 57.191 57.191 58.358 -1.167 19479 7796 1 20 . 1 1 40 40 GLN CB C 40 29.466 29.466 28.548 0.918 19479 7797 1 20 . 1 1 40 40 GLN H H 40 8.297 8.297 8.068 0.229 19479 7798 1 20 . 1 1 41 41 ILE N N 41 110.997 110.997 116.459 -5.462 19479 7799 1 20 . 1 1 41 41 ILE HA H 41 4.493 4.493 3.898 0.595 19479 7800 1 20 . 1 1 41 41 ILE CA C 41 61.348 61.348 62.318 -0.970 19479 7801 1 20 . 1 1 41 41 ILE CB C 41 37.882 37.882 38.315 -0.433 19479 7802 1 20 . 1 1 41 41 ILE H H 41 7.133 7.133 7.698 -0.565 19479 7803 1 20 . 1 1 42 42 GLY N N 42 106.355 106.355 106.308 0.047 19479 7804 1 20 . 1 1 42 42 GLY CA C 42 44.679 44.679 44.415 0.264 19479 7805 1 20 . 1 1 42 42 GLY H H 42 7.433 7.433 7.440 -0.007 19479 7806 1 20 . 1 1 43 43 GLY N N 43 107.808 107.808 109.389 -1.581 19479 7807 1 20 . 1 1 43 43 GLY CA C 43 45.389 45.389 44.373 1.016 19479 7808 1 20 . 1 1 43 43 GLY H H 43 7.826 7.826 7.424 0.402 19479 7809 1 20 . 1 1 44 44 HIS N N 44 112.337 112.337 117.331 -4.994 19479 7810 1 20 . 1 1 44 44 HIS HA H 44 4.979 4.979 5.104 -0.125 19479 7811 1 20 . 1 1 44 44 HIS CA C 44 54.773 54.773 54.622 0.151 19479 7812 1 20 . 1 1 44 44 HIS CB C 44 31.867 31.867 31.060 0.807 19479 7813 1 20 . 1 1 44 44 HIS H H 44 6.369 6.369 7.893 -1.524 19479 7814 1 20 . 1 1 45 45 ALA HA H 45 4.264 4.264 4.254 0.010 19479 7815 1 20 . 1 1 45 45 ALA CA C 45 57.581 57.581 55.610 1.971 19479 7816 1 20 . 1 1 45 45 ALA CB C 45 18.718 18.718 18.325 0.394 19479 7817 1 20 . 1 1 46 46 LEU N N 46 117.791 117.791 118.017 -0.226 19479 7818 1 20 . 1 1 46 46 LEU HA H 46 4.420 4.420 4.116 0.304 19479 7819 1 20 . 1 1 46 46 LEU CA C 46 58.559 58.559 58.070 0.489 19479 7820 1 20 . 1 1 46 46 LEU CB C 46 41.652 41.652 41.442 0.210 19479 7821 1 20 . 1 1 46 46 LEU H H 46 8.807 8.807 8.523 0.284 19479 7822 1 20 . 1 1 47 47 LYS N N 47 118.822 118.822 118.121 0.701 19479 7823 1 20 . 1 1 47 47 LYS HA H 47 4.200 4.200 3.921 0.279 19479 7824 1 20 . 1 1 47 47 LYS CA C 47 58.352 58.352 59.403 -1.051 19479 7825 1 20 . 1 1 47 47 LYS CB C 47 32.994 32.994 32.111 0.883 19479 7826 1 20 . 1 1 47 47 LYS H H 47 7.589 7.589 7.339 0.250 19479 7827 1 20 . 1 1 48 48 ALA N N 48 122.769 122.769 122.562 0.207 19479 7828 1 20 . 1 1 48 48 ALA HA H 48 3.575 3.575 3.526 0.049 19479 7829 1 20 . 1 1 48 48 ALA CA C 48 55.102 55.102 54.919 0.183 19479 7830 1 20 . 1 1 48 48 ALA CB C 48 18.239 18.239 17.990 0.249 19479 7831 1 20 . 1 1 48 48 ALA H H 48 8.736 8.736 8.433 0.303 19479 7832 1 20 . 1 1 49 49 MET N N 49 116.936 116.936 115.824 1.112 19479 7833 1 20 . 1 1 49 49 MET HA H 49 4.169 4.169 4.069 0.100 19479 7834 1 20 . 1 1 49 49 MET CA C 49 58.869 58.869 59.263 -0.394 19479 7835 1 20 . 1 1 49 49 MET CB C 49 32.511 32.511 32.410 0.101 19479 7836 1 20 . 1 1 49 49 MET H H 49 8.000 8.000 8.199 -0.199 19479 7837 1 20 . 1 1 50 50 ALA N N 50 123.686 123.686 122.098 1.588 19479 7838 1 20 . 1 1 50 50 ALA HA H 50 4.401 4.401 4.156 0.245 19479 7839 1 20 . 1 1 50 50 ALA CA C 50 55.265 55.265 54.979 0.286 19479 7840 1 20 . 1 1 50 50 ALA CB C 50 18.320 18.320 18.087 0.233 19479 7841 1 20 . 1 1 50 50 ALA H H 50 7.389 7.389 7.652 -0.263 19479 7842 1 20 . 1 1 51 51 VAL N N 51 118.885 118.885 119.782 -0.897 19479 7843 1 20 . 1 1 51 51 VAL HA H 51 3.437 3.437 3.546 -0.109 19479 7844 1 20 . 1 1 51 51 VAL CA C 51 66.975 66.975 66.739 0.236 19479 7845 1 20 . 1 1 51 51 VAL CB C 51 31.268 31.268 31.115 0.153 19479 7846 1 20 . 1 1 51 51 VAL H H 51 7.981 7.981 7.429 0.552 19479 7847 1 20 . 1 1 52 52 ALA N N 52 121.555 121.555 121.823 -0.268 19479 7848 1 20 . 1 1 52 52 ALA HA H 52 3.990 3.990 3.873 0.117 19479 7849 1 20 . 1 1 52 52 ALA CA C 52 56.056 56.056 55.217 0.839 19479 7850 1 20 . 1 1 52 52 ALA CB C 52 18.099 18.099 17.988 0.111 19479 7851 1 20 . 1 1 52 52 ALA H H 52 8.499 8.499 8.083 0.416 19479 7852 1 20 . 1 1 53 53 ALA N N 53 121.958 121.958 120.419 1.539 19479 7853 1 20 . 1 1 53 53 ALA HA H 53 4.346 4.346 4.052 0.294 19479 7854 1 20 . 1 1 53 53 ALA CA C 53 55.454 55.454 55.178 0.276 19479 7855 1 20 . 1 1 53 53 ALA CB C 53 18.079 18.079 18.163 -0.084 19479 7856 1 20 . 1 1 53 53 ALA H H 53 8.238 8.238 7.739 0.499 19479 7857 1 20 . 1 1 54 54 GLN N N 54 118.520 118.520 117.978 0.542 19479 7858 1 20 . 1 1 54 54 GLN HA H 54 4.157 4.157 4.119 0.038 19479 7859 1 20 . 1 1 54 54 GLN CA C 54 59.303 59.303 58.625 0.678 19479 7860 1 20 . 1 1 54 54 GLN CB C 54 28.684 28.684 28.817 -0.133 19479 7861 1 20 . 1 1 54 54 GLN H H 54 7.914 7.914 7.721 0.193 19479 7862 1 20 . 1 1 55 55 VAL N N 55 121.643 121.643 121.558 0.085 19479 7863 1 20 . 1 1 55 55 VAL HA H 55 3.673 3.673 3.862 -0.189 19479 7864 1 20 . 1 1 55 55 VAL CA C 55 67.521 67.521 67.221 0.300 19479 7865 1 20 . 1 1 55 55 VAL CB C 55 31.569 31.569 31.690 -0.121 19479 7866 1 20 . 1 1 55 55 VAL H H 55 8.915 8.915 8.732 0.183 19479 7867 1 20 . 1 1 56 56 HIS N N 56 120.993 120.993 119.410 1.583 19479 7868 1 20 . 1 1 56 56 HIS HA H 56 4.314 4.314 4.773 -0.459 19479 7869 1 20 . 1 1 56 56 HIS CA C 56 60.994 60.994 59.023 1.971 19479 7870 1 20 . 1 1 56 56 HIS CB C 56 30.226 30.226 29.926 0.300 19479 7871 1 20 . 1 1 56 56 HIS H H 56 8.328 8.328 8.619 -0.291 19479 7872 1 20 . 1 1 57 57 ARG N N 57 119.241 119.241 117.845 1.396 19479 7873 1 20 . 1 1 57 57 ARG HA H 57 3.963 3.963 4.282 -0.319 19479 7874 1 20 . 1 1 57 57 ARG CA C 57 59.269 59.269 58.586 0.683 19479 7875 1 20 . 1 1 57 57 ARG CB C 57 30.220 30.220 30.026 0.194 19479 7876 1 20 . 1 1 57 57 ARG H H 57 7.849 7.849 7.626 0.223 19479 7877 1 20 . 1 1 58 58 GLU N N 58 116.079 116.079 118.883 -2.804 19479 7878 1 20 . 1 1 58 58 GLU HA H 58 3.944 3.944 4.251 -0.307 19479 7879 1 20 . 1 1 58 58 GLU CA C 58 58.351 58.351 57.973 0.378 19479 7880 1 20 . 1 1 58 58 GLU CB C 58 30.571 30.571 30.287 0.284 19479 7881 1 20 . 1 1 58 58 GLU H H 58 7.874 7.874 8.127 -0.253 19479 7882 1 20 . 1 1 59 59 TYR N N 59 112.274 112.274 117.124 -4.850 19479 7883 1 20 . 1 1 59 59 TYR HA H 59 4.686 4.686 4.527 0.159 19479 7884 1 20 . 1 1 59 59 TYR CA C 59 58.616 58.616 58.027 0.589 19479 7885 1 20 . 1 1 59 59 TYR CB C 59 40.589 40.589 38.520 2.069 19479 7886 1 20 . 1 1 59 59 TYR H H 59 8.303 8.303 8.362 -0.059 19479 7887 1 20 . 1 1 60 60 GLN N N 60 115.629 115.629 115.539 0.090 19479 7888 1 20 . 1 1 60 60 GLN HA H 60 3.481 3.481 4.282 -0.801 19479 7889 1 20 . 1 1 60 60 GLN CA C 60 57.418 57.418 56.694 0.724 19479 7890 1 20 . 1 1 60 60 GLN CB C 60 25.628 25.628 26.843 -1.215 19479 7891 1 20 . 1 1 60 60 GLN H H 60 8.382 8.382 8.351 0.031 19479 7892 1 20 . 1 1 61 61 VAL N N 61 114.547 114.547 116.319 -1.772 19479 7893 1 20 . 1 1 61 61 VAL HA H 61 4.347 4.347 4.056 0.291 19479 7894 1 20 . 1 1 61 61 VAL CA C 61 60.118 60.118 60.205 -0.087 19479 7895 1 20 . 1 1 61 61 VAL CB C 61 35.547 35.547 35.245 0.302 19479 7896 1 20 . 1 1 61 61 VAL H H 61 6.532 6.532 7.824 -1.292 19479 7897 1 20 . 1 1 62 62 GLU N N 62 125.938 125.938 127.335 -1.397 19479 7898 1 20 . 1 1 62 62 GLU HA H 62 4.270 4.270 3.678 0.592 19479 7899 1 20 . 1 1 62 62 GLU CA C 62 55.857 55.857 57.052 -1.195 19479 7900 1 20 . 1 1 62 62 GLU CB C 62 30.334 30.334 30.399 -0.065 19479 7901 1 20 . 1 1 62 62 GLU H H 62 8.741 8.741 8.224 0.517 19479 7902 1 20 . 1 1 63 63 LEU N N 63 127.837 127.837 126.801 1.036 19479 7903 1 20 . 1 1 63 63 LEU HA H 63 4.845 4.845 4.855 -0.010 19479 7904 1 20 . 1 1 63 63 LEU CA C 63 50.751 50.751 50.787 -0.036 19479 7905 1 20 . 1 1 63 63 LEU CB C 63 43.313 43.313 42.080 1.233 19479 7906 1 20 . 1 1 63 63 LEU H H 63 8.939 8.939 8.446 0.493 19479 7907 1 20 . 1 1 64 64 PRO HA H 64 4.446 4.446 4.605 -0.159 19479 7908 1 20 . 1 1 64 64 PRO CA C 64 62.060 62.060 62.040 0.020 19479 7909 1 20 . 1 1 64 64 PRO CB C 64 32.346 32.346 32.785 -0.439 19479 7910 1 20 . 1 1 65 65 LEU N N 65 126.325 126.325 122.655 3.670 19479 7911 1 20 . 1 1 65 65 LEU HA H 65 3.772 3.772 3.932 -0.160 19479 7912 1 20 . 1 1 65 65 LEU CA C 65 58.426 58.426 57.898 0.527 19479 7913 1 20 . 1 1 65 65 LEU CB C 65 40.688 40.688 42.284 -1.596 19479 7914 1 20 . 1 1 65 65 LEU H H 65 8.746 8.746 8.689 0.057 19479 7915 1 20 . 1 1 66 66 LYS N N 66 114.157 114.157 118.750 -4.593 19479 7916 1 20 . 1 1 66 66 LYS HA H 66 3.999 3.999 4.350 -0.351 19479 7917 1 20 . 1 1 66 66 LYS CA C 66 59.383 59.383 59.073 0.310 19479 7918 1 20 . 1 1 66 66 LYS CB C 66 32.166 32.166 31.780 0.386 19479 7919 1 20 . 1 1 66 66 LYS H H 66 8.551 8.551 8.566 -0.015 19479 7920 1 20 . 1 1 67 67 VAL N N 67 119.827 119.827 119.198 0.629 19479 7921 1 20 . 1 1 67 67 VAL HA H 67 3.611 3.611 3.719 -0.108 19479 7922 1 20 . 1 1 67 67 VAL CA C 67 65.655 65.655 64.897 0.758 19479 7923 1 20 . 1 1 67 67 VAL CB C 67 31.425 31.425 31.928 -0.503 19479 7924 1 20 . 1 1 67 67 VAL H H 67 7.190 7.190 7.658 -0.468 19479 7925 1 20 . 1 1 68 68 LEU N N 68 120.867 120.867 122.361 -1.494 19479 7926 1 20 . 1 1 68 68 LEU HA H 68 3.922 3.922 3.874 0.048 19479 7927 1 20 . 1 1 68 68 LEU CA C 68 58.322 58.322 57.942 0.380 19479 7928 1 20 . 1 1 68 68 LEU CB C 68 41.911 41.911 41.196 0.716 19479 7929 1 20 . 1 1 68 68 LEU H H 68 6.936 6.936 7.468 -0.532 19479 7930 1 20 . 1 1 69 69 PHE N N 69 112.682 112.682 117.426 -4.744 19479 7931 1 20 . 1 1 69 69 PHE HA H 69 4.265 4.265 4.774 -0.509 19479 7932 1 20 . 1 1 69 69 PHE CA C 69 60.265 60.265 60.364 -0.099 19479 7933 1 20 . 1 1 69 69 PHE CB C 69 38.725 38.725 38.860 -0.135 19479 7934 1 20 . 1 1 69 69 PHE H H 69 8.201 8.201 8.606 -0.405 19479 7935 1 20 . 1 1 70 70 ALA N N 70 118.803 118.803 121.737 -2.934 19479 7936 1 20 . 1 1 70 70 ALA HA H 70 4.302 4.302 3.573 0.729 19479 7937 1 20 . 1 1 70 70 ALA CA C 70 54.025 54.025 53.259 0.766 19479 7938 1 20 . 1 1 70 70 ALA CB C 70 19.656 19.656 19.110 0.546 19479 7939 1 20 . 1 1 70 70 ALA H H 70 7.448 7.448 7.462 -0.014 19479 7940 1 20 . 1 1 71 71 GLN N N 71 116.280 116.280 115.964 0.316 19479 7941 1 20 . 1 1 71 71 GLN HA H 71 4.848 4.848 4.745 0.103 19479 7942 1 20 . 1 1 71 71 GLN CA C 71 53.120 53.120 52.308 0.812 19479 7943 1 20 . 1 1 71 71 GLN CB C 71 29.026 29.026 29.771 -0.745 19479 7944 1 20 . 1 1 71 71 GLN H H 71 7.561 7.561 8.104 -0.543 19479 7945 1 20 . 1 1 72 72 PRO HA H 72 4.989 4.989 4.743 0.246 19479 7946 1 20 . 1 1 72 72 PRO CA C 72 64.307 64.307 63.124 1.183 19479 7947 1 20 . 1 1 72 72 PRO CB C 72 30.240 30.240 30.183 0.057 19479 7948 1 20 . 1 1 73 73 THR N N 73 109.972 109.972 111.438 -1.466 19479 7949 1 20 . 1 1 73 73 THR HA H 73 5.198 5.198 5.413 -0.215 19479 7950 1 20 . 1 1 73 73 THR CA C 73 59.292 59.292 59.276 0.016 19479 7951 1 20 . 1 1 73 73 THR CB C 73 72.314 72.314 73.201 -0.887 19479 7952 1 20 . 1 1 73 73 THR H H 73 8.303 8.303 7.955 0.348 19479 7953 1 20 . 1 1 74 74 ILE N N 74 125.105 125.105 123.391 1.714 19479 7954 1 20 . 1 1 74 74 ILE HA H 74 3.061 3.061 3.171 -0.110 19479 7955 1 20 . 1 1 74 74 ILE CA C 74 66.019 66.019 64.590 1.429 19479 7956 1 20 . 1 1 74 74 ILE CB C 74 37.443 37.443 36.624 0.819 19479 7957 1 20 . 1 1 74 74 ILE H H 74 9.908 9.908 8.460 1.448 19479 7958 1 20 . 1 1 75 75 LYS N N 75 119.445 119.445 120.756 -1.311 19479 7959 1 20 . 1 1 75 75 LYS HA H 75 3.797 3.797 3.832 -0.035 19479 7960 1 20 . 1 1 75 75 LYS CA C 75 60.205 60.205 60.236 -0.030 19479 7961 1 20 . 1 1 75 75 LYS CB C 75 33.098 33.098 32.151 0.947 19479 7962 1 20 . 1 1 75 75 LYS H H 75 9.024 9.024 8.139 0.885 19479 7963 1 20 . 1 1 76 76 ALA N N 76 119.581 119.581 121.094 -1.513 19479 7964 1 20 . 1 1 76 76 ALA HA H 76 4.216 4.216 4.275 -0.059 19479 7965 1 20 . 1 1 76 76 ALA CA C 76 54.809 54.809 54.846 -0.037 19479 7966 1 20 . 1 1 76 76 ALA CB C 76 19.422 19.422 18.181 1.241 19479 7967 1 20 . 1 1 76 76 ALA H H 76 7.621 7.621 8.265 -0.644 19479 7968 1 20 . 1 1 77 77 LEU N N 77 121.833 121.833 119.033 2.800 19479 7969 1 20 . 1 1 77 77 LEU HA H 77 4.097 4.097 3.975 0.122 19479 7970 1 20 . 1 1 77 77 LEU CA C 77 57.612 57.612 57.643 -0.031 19479 7971 1 20 . 1 1 77 77 LEU CB C 77 42.192 42.192 41.464 0.728 19479 7972 1 20 . 1 1 77 77 LEU H H 77 8.915 8.915 7.814 1.101 19479 7973 1 20 . 1 1 78 78 ALA N N 78 120.481 120.481 122.479 -1.998 19479 7974 1 20 . 1 1 78 78 ALA HA H 78 3.751 3.751 3.855 -0.104 19479 7975 1 20 . 1 1 78 78 ALA CA C 78 55.117 55.117 55.588 -0.471 19479 7976 1 20 . 1 1 78 78 ALA CB C 78 19.603 19.603 18.242 1.361 19479 7977 1 20 . 1 1 78 78 ALA H H 78 9.393 9.393 8.630 0.763 19479 7978 1 20 . 1 1 79 79 GLN N N 79 117.799 117.799 117.330 0.469 19479 7979 1 20 . 1 1 79 79 GLN HA H 79 4.069 4.069 4.034 0.035 19479 7980 1 20 . 1 1 79 79 GLN CA C 79 58.790 58.790 58.533 0.257 19479 7981 1 20 . 1 1 79 79 GLN CB C 79 28.256 28.256 28.542 -0.286 19479 7982 1 20 . 1 1 79 79 GLN H H 79 7.179 7.179 8.344 -1.165 19479 7983 1 20 . 1 1 80 80 TYR N N 80 121.754 121.754 122.559 -0.805 19479 7984 1 20 . 1 1 80 80 TYR HA H 80 3.982 3.982 4.080 -0.098 19479 7985 1 20 . 1 1 80 80 TYR CA C 80 61.965 61.965 61.536 0.429 19479 7986 1 20 . 1 1 80 80 TYR CB C 80 38.227 38.227 38.672 -0.445 19479 7987 1 20 . 1 1 80 80 TYR H H 80 7.716 7.716 7.924 -0.208 19479 7988 1 20 . 1 1 81 81 VAL N N 81 117.864 117.864 118.729 -0.865 19479 7989 1 20 . 1 1 81 81 VAL HA H 81 3.264 3.264 3.341 -0.077 19479 7990 1 20 . 1 1 81 81 VAL CA C 81 66.719 66.719 65.972 0.747 19479 7991 1 20 . 1 1 81 81 VAL CB C 81 32.032 32.032 31.716 0.316 19479 7992 1 20 . 1 1 81 81 VAL H H 81 8.536 8.536 8.655 -0.119 19479 7993 1 20 . 1 1 82 82 ALA N N 82 121.044 121.044 122.871 -1.827 19479 7994 1 20 . 1 1 82 82 ALA HA H 82 3.931 3.931 4.031 -0.100 19479 7995 1 20 . 1 1 82 82 ALA CA C 82 55.130 55.130 55.165 -0.035 19479 7996 1 20 . 1 1 82 82 ALA CB C 82 18.588 18.588 18.214 0.374 19479 7997 1 20 . 1 1 82 82 ALA H H 82 8.420 8.420 8.354 0.066 19479 7998 1 20 . 1 1 83 83 THR N N 83 109.020 109.020 112.576 -3.556 19479 7999 1 20 . 1 1 83 83 THR HA H 83 4.081 4.081 4.024 0.057 19479 8000 1 20 . 1 1 83 83 THR CA C 83 64.388 64.388 65.295 -0.907 19479 8001 1 20 . 1 1 83 83 THR CB C 83 69.529 69.529 68.660 0.869 19479 8002 1 20 . 1 1 83 83 THR H H 83 7.558 7.558 7.927 -0.369 19479 8003 1 20 . 1 1 84 84 ARG N N 84 119.856 119.856 118.388 1.468 19479 8004 1 20 . 1 1 84 84 ARG HA H 84 4.199 4.199 3.905 0.294 19479 8005 1 20 . 1 1 84 84 ARG CA C 84 56.279 56.279 58.422 -2.143 19479 8006 1 20 . 1 1 84 84 ARG CB C 84 30.866 30.866 30.241 0.625 19479 8007 1 20 . 1 1 84 84 ARG H H 84 7.368 7.368 7.184 0.184 19479 8008 1 20 . 1 1 85 85 SER N N 85 114.607 114.607 112.087 2.520 19479 8009 1 20 . 1 1 85 85 SER HA H 85 4.301 4.301 4.318 -0.017 19479 8010 1 20 . 1 1 85 85 SER CA C 85 58.927 58.927 59.562 -0.635 19479 8011 1 20 . 1 1 85 85 SER CB C 85 63.778 63.778 63.433 0.345 19479 8012 1 20 . 1 1 85 85 SER H H 85 7.783 7.783 7.623 0.160 19479 8013 1 20 . 1 1 86 86 HIS HA H 86 4.608 4.608 4.702 -0.094 19479 8014 1 20 . 1 1 86 86 HIS CA C 86 56.102 56.102 54.393 1.709 19479 8015 1 20 . 1 1 86 86 HIS CB C 86 30.233 30.233 29.129 1.104 19479 8016 1 20 . 1 1 87 87 HIS N N 87 125.453 125.453 120.708 4.745 19479 8017 1 20 . 1 1 87 87 HIS HA H 87 4.421 4.421 4.415 0.006 19479 8018 1 20 . 1 1 87 87 HIS CA C 87 57.381 57.381 57.251 0.130 19479 8019 1 20 . 1 1 87 87 HIS CB C 87 30.430 30.430 30.636 -0.206 19479 8020 1 20 . 1 1 87 87 HIS H H 87 8.102 8.102 8.478 -0.376 19479 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 78 2.314 0.436 2.287 19479 2 1 1 "Average Difference" HA 90 0.330 0.056 0.327 19479 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19479 4 1 1 "Average Difference" CA 85 0.929 -0.345 0.867 19479 5 1 1 "Average Difference" CB 80 0.869 -0.276 0.829 19479 6 1 1 "Average Difference" HN 78 0.584 -0.134 0.572 19479 7 1 2 "Average Difference" N 78 2.424 0.420 2.403 19479 8 1 2 "Average Difference" HA 90 0.348 0.043 0.347 19479 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19479 10 1 2 "Average Difference" CA 85 0.906 -0.333 0.848 19479 11 1 2 "Average Difference" CB 80 0.896 -0.247 0.867 19479 12 1 2 "Average Difference" HN 78 0.569 -0.132 0.557 19479 13 1 3 "Average Difference" N 78 2.490 0.325 2.485 19479 14 1 3 "Average Difference" HA 90 0.354 0.048 0.353 19479 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19479 16 1 3 "Average Difference" CA 85 0.980 -0.399 0.900 19479 17 1 3 "Average Difference" CB 80 0.897 -0.294 0.853 19479 18 1 3 "Average Difference" HN 78 0.570 -0.128 0.559 19479 19 1 4 "Average Difference" N 78 2.183 0.341 2.170 19479 20 1 4 "Average Difference" HA 90 0.355 0.050 0.353 19479 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19479 22 1 4 "Average Difference" CA 85 0.896 -0.373 0.820 19479 23 1 4 "Average Difference" CB 80 0.877 -0.271 0.839 19479 24 1 4 "Average Difference" HN 78 0.626 -0.146 0.613 19479 25 1 5 "Average Difference" N 78 2.127 0.258 2.125 19479 26 1 5 "Average Difference" HA 90 0.335 0.048 0.334 19479 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19479 28 1 5 "Average Difference" CA 85 1.012 -0.346 0.957 19479 29 1 5 "Average Difference" CB 80 0.843 -0.264 0.806 19479 30 1 5 "Average Difference" HN 78 0.599 -0.135 0.588 19479 31 1 6 "Average Difference" N 78 2.461 0.629 2.395 19479 32 1 6 "Average Difference" HA 90 0.331 0.043 0.330 19479 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19479 34 1 6 "Average Difference" CA 85 0.967 -0.397 0.887 19479 35 1 6 "Average Difference" CB 80 0.901 -0.255 0.870 19479 36 1 6 "Average Difference" HN 78 0.539 -0.106 0.532 19479 37 1 7 "Average Difference" N 78 2.546 0.307 2.544 19479 38 1 7 "Average Difference" HA 90 0.331 0.047 0.329 19479 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19479 40 1 7 "Average Difference" CA 85 0.938 -0.396 0.855 19479 41 1 7 "Average Difference" CB 80 0.913 -0.199 0.896 19479 42 1 7 "Average Difference" HN 78 0.532 -0.132 0.518 19479 43 1 8 "Average Difference" N 78 2.104 0.462 2.066 19479 44 1 8 "Average Difference" HA 90 0.337 0.067 0.332 19479 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19479 46 1 8 "Average Difference" CA 85 0.875 -0.356 0.804 19479 47 1 8 "Average Difference" CB 80 0.869 -0.332 0.808 19479 48 1 8 "Average Difference" HN 78 0.590 -0.161 0.571 19479 49 1 9 "Average Difference" N 78 2.191 0.329 2.180 19479 50 1 9 "Average Difference" HA 90 0.374 0.082 0.367 19479 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19479 52 1 9 "Average Difference" CA 85 1.084 -0.429 1.001 19479 53 1 9 "Average Difference" CB 80 0.903 -0.287 0.862 19479 54 1 9 "Average Difference" HN 78 0.631 -0.082 0.629 19479 55 1 10 "Average Difference" N 78 2.306 0.495 2.266 19479 56 1 10 "Average Difference" HA 90 0.357 0.055 0.355 19479 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19479 58 1 10 "Average Difference" CA 85 0.977 -0.251 0.950 19479 59 1 10 "Average Difference" CB 80 0.895 -0.335 0.835 19479 60 1 10 "Average Difference" HN 78 0.635 -0.129 0.626 19479 61 1 11 "Average Difference" N 78 2.360 0.361 2.347 19479 62 1 11 "Average Difference" HA 90 0.334 0.052 0.332 19479 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19479 64 1 11 "Average Difference" CA 85 0.961 -0.356 0.898 19479 65 1 11 "Average Difference" CB 80 1.015 -0.331 0.966 19479 66 1 11 "Average Difference" HN 78 0.594 -0.127 0.584 19479 67 1 12 "Average Difference" N 78 2.528 0.454 2.503 19479 68 1 12 "Average Difference" HA 90 0.349 0.037 0.349 19479 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19479 70 1 12 "Average Difference" CA 85 0.834 -0.247 0.801 19479 71 1 12 "Average Difference" CB 80 0.977 -0.362 0.914 19479 72 1 12 "Average Difference" HN 78 0.597 -0.114 0.590 19479 73 1 13 "Average Difference" N 78 2.535 0.671 2.461 19479 74 1 13 "Average Difference" HA 90 0.352 0.051 0.350 19479 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19479 76 1 13 "Average Difference" CA 85 0.948 -0.361 0.882 19479 77 1 13 "Average Difference" CB 80 0.905 -0.272 0.869 19479 78 1 13 "Average Difference" HN 78 0.540 -0.080 0.537 19479 79 1 14 "Average Difference" N 78 2.275 0.456 2.244 19479 80 1 14 "Average Difference" HA 90 0.341 0.066 0.336 19479 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19479 82 1 14 "Average Difference" CA 85 0.979 -0.311 0.933 19479 83 1 14 "Average Difference" CB 80 0.893 -0.258 0.860 19479 84 1 14 "Average Difference" HN 78 0.597 -0.105 0.591 19479 85 1 15 "Average Difference" N 78 2.281 0.273 2.280 19479 86 1 15 "Average Difference" HA 90 0.340 0.049 0.338 19479 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19479 88 1 15 "Average Difference" CA 85 0.986 -0.394 0.909 19479 89 1 15 "Average Difference" CB 80 0.794 -0.201 0.773 19479 90 1 15 "Average Difference" HN 78 0.576 -0.104 0.570 19479 91 1 16 "Average Difference" N 78 2.344 0.386 2.327 19479 92 1 16 "Average Difference" HA 90 0.349 0.061 0.346 19479 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19479 94 1 16 "Average Difference" CA 85 0.905 -0.402 0.815 19479 95 1 16 "Average Difference" CB 80 0.858 -0.249 0.826 19479 96 1 16 "Average Difference" HN 78 0.610 -0.151 0.595 19479 97 1 17 "Average Difference" N 78 2.434 0.589 2.377 19479 98 1 17 "Average Difference" HA 90 0.360 0.053 0.358 19479 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19479 100 1 17 "Average Difference" CA 85 1.032 -0.326 0.985 19479 101 1 17 "Average Difference" CB 80 0.916 -0.279 0.878 19479 102 1 17 "Average Difference" HN 78 0.559 -0.078 0.557 19479 103 1 18 "Average Difference" N 78 2.372 0.475 2.339 19479 104 1 18 "Average Difference" HA 90 0.331 0.041 0.330 19479 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19479 106 1 18 "Average Difference" CA 85 0.803 -0.305 0.748 19479 107 1 18 "Average Difference" CB 80 0.814 -0.297 0.762 19479 108 1 18 "Average Difference" HN 78 0.570 -0.109 0.563 19479 109 1 19 "Average Difference" N 78 2.421 0.481 2.388 19479 110 1 19 "Average Difference" HA 90 0.359 0.016 0.360 19479 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19479 112 1 19 "Average Difference" CA 85 0.960 -0.313 0.913 19479 113 1 19 "Average Difference" CB 80 0.839 -0.319 0.781 19479 114 1 19 "Average Difference" HN 78 0.576 -0.127 0.566 19479 115 1 20 "Average Difference" N 78 2.228 0.465 2.193 19479 116 1 20 "Average Difference" HA 90 0.326 0.053 0.324 19479 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19479 118 1 20 "Average Difference" CA 85 0.873 -0.287 0.829 19479 119 1 20 "Average Difference" CB 80 0.848 -0.246 0.817 19479 120 1 20 "Average Difference" HN 78 0.579 -0.064 0.580 19479 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 19479 _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 3 3 VAL HA H 3 4.160 4.160 4.241 -0.081 19479 2 1 . 1 1 3 3 VAL CA C 3 63.130 63.130 62.134 0.996 19479 3 1 . 1 1 3 3 VAL CB C 3 32.605 32.605 32.825 -0.220 19479 4 1 . 1 1 4 4 THR N N 4 117.074 117.074 116.765 0.309 19479 5 1 . 1 1 4 4 THR HA H 4 4.454 4.454 4.477 -0.023 19479 6 1 . 1 1 4 4 THR CA C 4 61.454 61.454 62.079 -0.625 19479 7 1 . 1 1 4 4 THR CB C 4 70.203 70.203 69.500 0.703 19479 8 1 . 1 1 4 4 THR H H 4 8.269 8.269 8.178 0.091 19479 9 1 . 1 1 5 5 GLU N N 5 122.628 122.628 122.077 0.551 19479 10 1 . 1 1 5 5 GLU HA H 5 4.305 4.305 4.304 0.001 19479 11 1 . 1 1 5 5 GLU CA C 5 56.689 56.689 56.633 0.056 19479 12 1 . 1 1 5 5 GLU CB C 5 30.297 30.297 29.767 0.530 19479 13 1 . 1 1 5 5 GLU H H 5 8.465 8.465 8.580 -0.115 19479 14 1 . 1 1 6 6 ALA N N 6 124.915 124.915 122.374 2.541 19479 15 1 . 1 1 6 6 ALA HA H 6 4.301 4.301 4.316 -0.015 19479 16 1 . 1 1 6 6 ALA CA C 6 52.392 52.392 52.222 0.170 19479 17 1 . 1 1 6 6 ALA CB C 6 19.520 19.520 19.555 -0.035 19479 18 1 . 1 1 6 6 ALA H H 6 8.333 8.333 7.702 0.631 19479 19 1 . 1 1 7 7 GLN N N 7 120.476 120.476 120.520 -0.044 19479 20 1 . 1 1 7 7 GLN HA H 7 4.275 4.275 4.322 -0.047 19479 21 1 . 1 1 7 7 GLN CA C 7 55.512 55.512 55.282 0.230 19479 22 1 . 1 1 7 7 GLN CB C 7 29.495 29.495 29.610 -0.115 19479 23 1 . 1 1 7 7 GLN H H 7 8.340 8.340 8.200 0.140 19479 24 1 . 1 1 8 8 TYR N N 8 124.499 124.499 123.065 1.434 19479 25 1 . 1 1 8 8 TYR HA H 8 4.386 4.386 4.394 -0.008 19479 26 1 . 1 1 8 8 TYR CA C 8 60.233 60.233 59.048 1.185 19479 27 1 . 1 1 8 8 TYR CB C 8 38.173 38.173 38.628 -0.455 19479 28 1 . 1 1 8 8 TYR H H 8 8.506 8.506 8.485 0.021 19479 29 1 . 1 1 9 9 VAL N N 9 130.011 130.011 129.340 0.671 19479 30 1 . 1 1 9 9 VAL HA H 9 3.748 3.748 3.838 -0.090 19479 31 1 . 1 1 9 9 VAL CA C 9 61.317 61.317 60.815 0.502 19479 32 1 . 1 1 9 9 VAL CB C 9 34.738 34.738 34.791 -0.053 19479 33 1 . 1 1 9 9 VAL H H 9 6.756 6.756 8.114 -1.358 19479 34 1 . 1 1 10 10 ALA N N 10 130.264 130.264 129.823 0.441 19479 35 1 . 1 1 10 10 ALA HA H 10 4.172 4.172 4.425 -0.253 19479 36 1 . 1 1 10 10 ALA CA C 10 50.602 50.602 50.518 0.084 19479 37 1 . 1 1 10 10 ALA CB C 10 17.676 17.676 18.268 -0.592 19479 38 1 . 1 1 10 10 ALA H H 10 8.125 8.125 7.989 0.136 19479 39 1 . 1 1 11 11 PRO HA H 11 4.186 4.186 4.306 -0.120 19479 40 1 . 1 1 11 11 PRO CA C 11 63.808 63.808 63.010 0.798 19479 41 1 . 1 1 11 11 PRO CB C 11 32.674 32.674 32.269 0.405 19479 42 1 . 1 1 12 12 THR N N 12 113.591 113.591 112.295 1.296 19479 43 1 . 1 1 12 12 THR HA H 12 4.469 4.469 4.367 0.102 19479 44 1 . 1 1 12 12 THR CA C 12 61.950 61.950 61.675 0.275 19479 45 1 . 1 1 12 12 THR CB C 12 71.622 71.622 69.773 1.850 19479 46 1 . 1 1 12 12 THR H H 12 9.701 9.701 8.470 1.231 19479 47 1 . 1 1 13 13 ASN N N 13 116.088 116.088 119.834 -3.746 19479 48 1 . 1 1 13 13 ASN HA H 13 4.771 4.771 4.865 -0.094 19479 49 1 . 1 1 13 13 ASN CA C 13 51.947 51.947 52.053 -0.106 19479 50 1 . 1 1 13 13 ASN CB C 13 39.736 39.736 40.620 -0.884 19479 51 1 . 1 1 13 13 ASN H H 13 7.423 7.423 7.866 -0.443 19479 52 1 . 1 1 14 14 ALA HA H 14 4.136 4.136 4.081 0.055 19479 53 1 . 1 1 14 14 ALA CA C 14 55.484 55.484 54.853 0.631 19479 54 1 . 1 1 14 14 ALA CB C 14 19.020 19.020 18.574 0.446 19479 55 1 . 1 1 15 15 VAL N N 15 120.332 120.332 118.382 1.950 19479 56 1 . 1 1 15 15 VAL HA H 15 4.191 4.191 3.754 0.437 19479 57 1 . 1 1 15 15 VAL CA C 15 65.158 65.158 66.129 -0.971 19479 58 1 . 1 1 15 15 VAL CB C 15 31.513 31.513 31.362 0.151 19479 59 1 . 1 1 15 15 VAL H H 15 7.938 7.938 8.203 -0.265 19479 60 1 . 1 1 16 16 GLU N N 16 118.751 118.751 119.955 -1.204 19479 61 1 . 1 1 16 16 GLU HA H 16 3.550 3.550 3.871 -0.321 19479 62 1 . 1 1 16 16 GLU CA C 16 59.495 59.495 59.668 -0.173 19479 63 1 . 1 1 16 16 GLU CB C 16 30.851 30.851 29.000 1.851 19479 64 1 . 1 1 16 16 GLU H H 16 8.470 8.470 8.184 0.286 19479 65 1 . 1 1 17 17 SER N N 17 112.637 112.637 114.740 -2.103 19479 66 1 . 1 1 17 17 SER HA H 17 3.968 3.968 4.074 -0.106 19479 67 1 . 1 1 17 17 SER CA C 17 62.523 62.523 61.696 0.827 19479 68 1 . 1 1 17 17 SER CB C 17 62.669 62.669 62.917 -0.248 19479 69 1 . 1 1 17 17 SER H H 17 8.386 8.386 8.067 0.320 19479 70 1 . 1 1 18 18 LYS N N 18 124.394 124.394 121.402 2.992 19479 71 1 . 1 1 18 18 LYS HA H 18 4.287 4.287 4.141 0.146 19479 72 1 . 1 1 18 18 LYS CA C 18 57.421 57.421 58.929 -1.508 19479 73 1 . 1 1 18 18 LYS CB C 18 30.018 30.018 32.352 -2.334 19479 74 1 . 1 1 18 18 LYS H H 18 8.104 8.104 7.632 0.472 19479 75 1 . 1 1 19 19 LEU N N 19 118.589 118.589 119.737 -1.148 19479 76 1 . 1 1 19 19 LEU HA H 19 4.027 4.027 4.083 -0.056 19479 77 1 . 1 1 19 19 LEU CA C 19 58.178 58.178 58.283 -0.105 19479 78 1 . 1 1 19 19 LEU CB C 19 42.135 42.135 41.474 0.661 19479 79 1 . 1 1 19 19 LEU H H 19 8.742 8.742 7.863 0.879 19479 80 1 . 1 1 20 20 ALA N N 20 121.037 121.037 120.839 0.198 19479 81 1 . 1 1 20 20 ALA HA H 20 3.775 3.775 3.648 0.127 19479 82 1 . 1 1 20 20 ALA CA C 20 56.194 56.194 55.086 1.108 19479 83 1 . 1 1 20 20 ALA CB C 20 16.862 16.862 18.017 -1.155 19479 84 1 . 1 1 20 20 ALA H H 20 8.199 8.199 8.141 0.058 19479 85 1 . 1 1 21 21 GLU N N 21 118.948 118.948 118.673 0.275 19479 86 1 . 1 1 21 21 GLU HA H 21 4.129 4.129 4.142 -0.013 19479 87 1 . 1 1 21 21 GLU CA C 21 59.788 59.788 59.288 0.499 19479 88 1 . 1 1 21 21 GLU CB C 21 29.887 29.887 29.647 0.240 19479 89 1 . 1 1 21 21 GLU H H 21 7.716 7.716 7.717 -0.001 19479 90 1 . 1 1 22 22 ILE N N 22 120.355 120.355 119.985 0.370 19479 91 1 . 1 1 22 22 ILE HA H 22 3.780 3.780 3.886 -0.106 19479 92 1 . 1 1 22 22 ILE CA C 22 65.850 65.850 64.190 1.660 19479 93 1 . 1 1 22 22 ILE CB C 22 38.677 38.677 37.343 1.334 19479 94 1 . 1 1 22 22 ILE H H 22 8.409 8.409 7.629 0.780 19479 95 1 . 1 1 23 23 TRP N N 23 120.272 120.272 119.770 0.502 19479 96 1 . 1 1 23 23 TRP HA H 23 4.191 4.191 4.370 -0.179 19479 97 1 . 1 1 23 23 TRP CA C 23 61.819 61.819 60.869 0.950 19479 98 1 . 1 1 23 23 TRP CB C 23 29.177 29.177 28.428 0.749 19479 99 1 . 1 1 23 23 TRP H H 23 9.551 9.551 8.258 1.293 19479 100 1 . 1 1 24 24 GLU N N 24 119.281 119.281 119.317 -0.036 19479 101 1 . 1 1 24 24 GLU HA H 24 4.210 4.210 4.104 0.106 19479 102 1 . 1 1 24 24 GLU CA C 24 60.695 60.695 59.769 0.926 19479 103 1 . 1 1 24 24 GLU CB C 24 29.397 29.397 29.283 0.114 19479 104 1 . 1 1 24 24 GLU H H 24 9.039 9.039 8.005 1.034 19479 105 1 . 1 1 25 25 ARG N N 25 119.408 119.408 118.158 1.250 19479 106 1 . 1 1 25 25 ARG HA H 25 4.205 4.205 4.158 0.047 19479 107 1 . 1 1 25 25 ARG CA C 25 59.015 59.015 58.552 0.463 19479 108 1 . 1 1 25 25 ARG CB C 25 30.246 30.246 30.094 0.152 19479 109 1 . 1 1 25 25 ARG H H 25 8.060 8.060 7.864 0.196 19479 110 1 . 1 1 26 26 VAL N N 26 119.220 119.220 118.184 1.036 19479 111 1 . 1 1 26 26 VAL HA H 26 3.782 3.782 3.950 -0.168 19479 112 1 . 1 1 26 26 VAL CA C 26 65.845 65.845 64.913 0.932 19479 113 1 . 1 1 26 26 VAL CB C 26 32.717 32.717 32.282 0.435 19479 114 1 . 1 1 26 26 VAL H H 26 8.475 8.475 7.603 0.872 19479 115 1 . 1 1 27 27 LEU N N 27 116.095 116.095 116.864 -0.769 19479 116 1 . 1 1 27 27 LEU HA H 27 4.018 4.018 4.048 -0.030 19479 117 1 . 1 1 27 27 LEU CA C 27 55.757 55.757 55.944 -0.187 19479 118 1 . 1 1 27 27 LEU CB C 27 42.504 42.504 42.181 0.323 19479 119 1 . 1 1 27 27 LEU H H 27 9.005 9.005 8.302 0.703 19479 120 1 . 1 1 28 28 GLY N N 28 108.722 108.722 107.348 1.374 19479 121 1 . 1 1 28 28 GLY CA C 28 46.721 46.721 45.552 1.169 19479 122 1 . 1 1 28 28 GLY H H 28 8.056 8.056 8.003 0.053 19479 123 1 . 1 1 29 29 VAL N N 29 115.103 115.103 115.580 -0.477 19479 124 1 . 1 1 29 29 VAL HA H 29 4.457 4.457 4.712 -0.255 19479 125 1 . 1 1 29 29 VAL CA C 29 59.845 59.845 59.389 0.456 19479 126 1 . 1 1 29 29 VAL CB C 29 35.477 35.477 34.415 1.062 19479 127 1 . 1 1 29 29 VAL H H 29 7.044 7.044 7.517 -0.473 19479 128 1 . 1 1 30 30 SER N N 30 115.417 115.417 115.182 0.235 19479 129 1 . 1 1 30 30 SER HA H 30 4.683 4.683 4.834 -0.151 19479 130 1 . 1 1 30 30 SER CA C 30 56.970 56.970 57.724 -0.754 19479 131 1 . 1 1 30 30 SER CB C 30 65.294 65.294 64.292 1.002 19479 132 1 . 1 1 30 30 SER H H 30 8.151 8.151 8.263 -0.112 19479 133 1 . 1 1 31 31 GLY N N 31 112.008 112.008 114.444 -2.436 19479 134 1 . 1 1 31 31 GLY CA C 31 46.545 46.545 44.892 1.653 19479 135 1 . 1 1 31 31 GLY H H 31 8.573 8.573 9.120 -0.547 19479 136 1 . 1 1 32 32 ILE N N 32 121.204 121.204 122.009 -0.805 19479 137 1 . 1 1 32 32 ILE HA H 32 3.898 3.898 4.264 -0.366 19479 138 1 . 1 1 32 32 ILE CA C 32 63.126 63.126 59.980 3.146 19479 139 1 . 1 1 32 32 ILE CB C 32 38.993 38.993 37.442 1.551 19479 140 1 . 1 1 32 32 ILE H H 32 8.241 8.241 7.887 0.354 19479 141 1 . 1 1 33 33 GLY N N 33 115.038 115.038 113.936 1.102 19479 142 1 . 1 1 33 33 GLY CA C 33 44.330 44.330 43.640 0.690 19479 143 1 . 1 1 33 33 GLY H H 33 8.760 8.760 8.419 0.341 19479 144 1 . 1 1 34 34 ILE N N 34 110.067 110.067 118.036 -7.969 19479 145 1 . 1 1 34 34 ILE HA H 34 4.017 4.017 3.934 0.083 19479 146 1 . 1 1 34 34 ILE CA C 34 64.500 64.500 64.157 0.343 19479 147 1 . 1 1 34 34 ILE CB C 34 37.731 37.731 38.196 -0.465 19479 148 1 . 1 1 34 34 ILE H H 34 8.566 8.566 8.506 0.060 19479 149 1 . 1 1 35 35 LEU N N 35 117.052 117.052 113.638 3.414 19479 150 1 . 1 1 35 35 LEU HA H 35 4.692 4.692 4.606 0.086 19479 151 1 . 1 1 35 35 LEU CA C 35 53.247 53.247 53.660 -0.413 19479 152 1 . 1 1 35 35 LEU CB C 35 42.094 42.094 41.294 0.800 19479 153 1 . 1 1 35 35 LEU H H 35 8.191 8.191 7.834 0.357 19479 154 1 . 1 1 36 36 ASP N N 36 121.535 121.535 121.880 -0.345 19479 155 1 . 1 1 36 36 ASP HA H 36 4.387 4.387 4.578 -0.191 19479 156 1 . 1 1 36 36 ASP CA C 36 55.244 55.244 54.741 0.503 19479 157 1 . 1 1 36 36 ASP CB C 36 41.170 41.170 41.829 -0.659 19479 158 1 . 1 1 36 36 ASP H H 36 7.098 7.098 7.575 -0.477 19479 159 1 . 1 1 37 37 ASN N N 37 123.266 123.266 123.666 -0.400 19479 160 1 . 1 1 37 37 ASN HA H 37 4.954 4.954 5.141 -0.187 19479 161 1 . 1 1 37 37 ASN CA C 37 53.319 53.319 53.277 0.042 19479 162 1 . 1 1 37 37 ASN CB C 37 39.610 39.610 39.102 0.508 19479 163 1 . 1 1 37 37 ASN H H 37 9.116 9.116 8.647 0.469 19479 164 1 . 1 1 38 38 PHE N N 38 126.469 126.469 127.569 -1.100 19479 165 1 . 1 1 38 38 PHE HA H 38 3.393 3.393 3.795 -0.403 19479 166 1 . 1 1 38 38 PHE CA C 38 61.965 61.965 62.397 -0.432 19479 167 1 . 1 1 38 38 PHE CB C 38 40.851 40.851 38.777 2.074 19479 168 1 . 1 1 38 38 PHE H H 38 9.344 9.344 8.734 0.610 19479 169 1 . 1 1 39 39 PHE N N 39 112.189 112.189 114.553 -2.364 19479 170 1 . 1 1 39 39 PHE HA H 39 3.933 3.933 4.491 -0.558 19479 171 1 . 1 1 39 39 PHE CA C 39 59.682 59.682 60.320 -0.638 19479 172 1 . 1 1 39 39 PHE CB C 39 38.040 38.040 38.441 -0.401 19479 173 1 . 1 1 39 39 PHE H H 39 8.052 8.052 8.134 -0.082 19479 174 1 . 1 1 40 40 GLN N N 40 119.928 119.928 120.001 -0.073 19479 175 1 . 1 1 40 40 GLN HA H 40 4.392 4.392 4.178 0.214 19479 176 1 . 1 1 40 40 GLN CA C 40 57.191 57.191 58.112 -0.921 19479 177 1 . 1 1 40 40 GLN CB C 40 29.466 29.466 28.440 1.026 19479 178 1 . 1 1 40 40 GLN H H 40 8.297 8.297 7.955 0.342 19479 179 1 . 1 1 41 41 ILE N N 41 110.997 110.997 117.489 -6.492 19479 180 1 . 1 1 41 41 ILE HA H 41 4.493 4.493 3.918 0.575 19479 181 1 . 1 1 41 41 ILE CA C 41 61.348 61.348 62.150 -0.802 19479 182 1 . 1 1 41 41 ILE CB C 41 37.882 37.882 37.897 -0.015 19479 183 1 . 1 1 41 41 ILE H H 41 7.133 7.133 7.687 -0.554 19479 184 1 . 1 1 42 42 GLY N N 42 106.355 106.355 106.429 -0.074 19479 185 1 . 1 1 42 42 GLY CA C 42 44.679 44.679 44.682 -0.002 19479 186 1 . 1 1 42 42 GLY H H 42 7.433 7.433 7.506 -0.073 19479 187 1 . 1 1 43 43 GLY N N 43 107.808 107.808 108.617 -0.810 19479 188 1 . 1 1 43 43 GLY CA C 43 45.389 45.389 44.196 1.193 19479 189 1 . 1 1 43 43 GLY H H 43 7.826 7.826 7.463 0.363 19479 190 1 . 1 1 44 44 HIS N N 44 112.337 112.337 117.655 -5.318 19479 191 1 . 1 1 44 44 HIS HA H 44 4.979 4.979 5.023 -0.044 19479 192 1 . 1 1 44 44 HIS CA C 44 54.773 54.773 54.621 0.152 19479 193 1 . 1 1 44 44 HIS CB C 44 31.867 31.867 31.095 0.772 19479 194 1 . 1 1 44 44 HIS H H 44 6.369 6.369 7.719 -1.350 19479 195 1 . 1 1 45 45 ALA HA H 45 4.264 4.264 4.210 0.054 19479 196 1 . 1 1 45 45 ALA CA C 45 57.581 57.581 55.561 2.020 19479 197 1 . 1 1 45 45 ALA CB C 45 18.718 18.718 18.310 0.408 19479 198 1 . 1 1 46 46 LEU N N 46 117.791 117.791 118.334 -0.543 19479 199 1 . 1 1 46 46 LEU HA H 46 4.420 4.420 4.074 0.346 19479 200 1 . 1 1 46 46 LEU CA C 46 58.559 58.559 58.150 0.409 19479 201 1 . 1 1 46 46 LEU CB C 46 41.652 41.652 41.947 -0.295 19479 202 1 . 1 1 46 46 LEU H H 46 8.807 8.807 8.387 0.420 19479 203 1 . 1 1 47 47 LYS N N 47 118.822 118.822 118.173 0.649 19479 204 1 . 1 1 47 47 LYS HA H 47 4.200 4.200 3.893 0.308 19479 205 1 . 1 1 47 47 LYS CA C 47 58.352 58.352 58.565 -0.213 19479 206 1 . 1 1 47 47 LYS CB C 47 32.994 32.994 31.462 1.532 19479 207 1 . 1 1 47 47 LYS H H 47 7.589 7.589 7.236 0.353 19479 208 1 . 1 1 48 48 ALA N N 48 122.769 122.769 122.397 0.372 19479 209 1 . 1 1 48 48 ALA HA H 48 3.575 3.575 3.535 0.040 19479 210 1 . 1 1 48 48 ALA CA C 48 55.102 55.102 54.943 0.160 19479 211 1 . 1 1 48 48 ALA CB C 48 18.239 18.239 17.965 0.274 19479 212 1 . 1 1 48 48 ALA H H 48 8.736 8.736 8.335 0.401 19479 213 1 . 1 1 49 49 MET N N 49 116.936 116.936 116.968 -0.032 19479 214 1 . 1 1 49 49 MET HA H 49 4.169 4.169 4.049 0.120 19479 215 1 . 1 1 49 49 MET CA C 49 58.869 58.869 58.858 0.011 19479 216 1 . 1 1 49 49 MET CB C 49 32.511 32.511 32.264 0.247 19479 217 1 . 1 1 49 49 MET H H 49 8.000 8.000 7.970 0.030 19479 218 1 . 1 1 50 50 ALA N N 50 123.686 123.686 122.025 1.661 19479 219 1 . 1 1 50 50 ALA HA H 50 4.401 4.401 4.105 0.296 19479 220 1 . 1 1 50 50 ALA CA C 50 55.265 55.265 55.129 0.136 19479 221 1 . 1 1 50 50 ALA CB C 50 18.320 18.320 18.008 0.312 19479 222 1 . 1 1 50 50 ALA H H 50 7.389 7.389 7.784 -0.395 19479 223 1 . 1 1 51 51 VAL N N 51 118.885 118.885 119.135 -0.250 19479 224 1 . 1 1 51 51 VAL HA H 51 3.437 3.437 3.619 -0.182 19479 225 1 . 1 1 51 51 VAL CA C 51 66.975 66.975 66.023 0.952 19479 226 1 . 1 1 51 51 VAL CB C 51 31.268 31.268 31.052 0.215 19479 227 1 . 1 1 51 51 VAL H H 51 7.981 7.981 7.634 0.347 19479 228 1 . 1 1 52 52 ALA N N 52 121.555 121.555 122.087 -0.532 19479 229 1 . 1 1 52 52 ALA HA H 52 3.990 3.990 3.890 0.100 19479 230 1 . 1 1 52 52 ALA CA C 52 56.056 56.056 55.091 0.965 19479 231 1 . 1 1 52 52 ALA CB C 52 18.099 18.099 18.042 0.057 19479 232 1 . 1 1 52 52 ALA H H 52 8.499 8.499 7.899 0.600 19479 233 1 . 1 1 53 53 ALA N N 53 121.958 121.958 120.852 1.106 19479 234 1 . 1 1 53 53 ALA HA H 53 4.346 4.346 4.011 0.334 19479 235 1 . 1 1 53 53 ALA CA C 53 55.454 55.454 55.030 0.424 19479 236 1 . 1 1 53 53 ALA CB C 53 18.079 18.079 18.307 -0.228 19479 237 1 . 1 1 53 53 ALA H H 53 8.238 8.238 7.915 0.323 19479 238 1 . 1 1 54 54 GLN N N 54 118.520 118.520 118.091 0.429 19479 239 1 . 1 1 54 54 GLN HA H 54 4.157 4.157 4.137 0.020 19479 240 1 . 1 1 54 54 GLN CA C 54 59.303 59.303 58.674 0.629 19479 241 1 . 1 1 54 54 GLN CB C 54 28.684 28.684 28.831 -0.147 19479 242 1 . 1 1 54 54 GLN H H 54 7.914 7.914 7.746 0.168 19479 243 1 . 1 1 55 55 VAL N N 55 121.643 121.643 121.140 0.503 19479 244 1 . 1 1 55 55 VAL HA H 55 3.673 3.673 3.939 -0.266 19479 245 1 . 1 1 55 55 VAL CA C 55 67.521 67.521 66.962 0.559 19479 246 1 . 1 1 55 55 VAL CB C 55 31.569 31.569 31.476 0.093 19479 247 1 . 1 1 55 55 VAL H H 55 8.915 8.915 8.577 0.338 19479 248 1 . 1 1 56 56 HIS N N 56 120.993 120.993 119.543 1.450 19479 249 1 . 1 1 56 56 HIS HA H 56 4.314 4.314 4.704 -0.390 19479 250 1 . 1 1 56 56 HIS CA C 56 60.994 60.994 59.026 1.968 19479 251 1 . 1 1 56 56 HIS CB C 56 30.226 30.226 29.915 0.311 19479 252 1 . 1 1 56 56 HIS H H 56 8.328 8.328 8.430 -0.102 19479 253 1 . 1 1 57 57 ARG N N 57 119.241 119.241 117.882 1.359 19479 254 1 . 1 1 57 57 ARG HA H 57 3.963 3.963 4.235 -0.271 19479 255 1 . 1 1 57 57 ARG CA C 57 59.269 59.269 58.575 0.694 19479 256 1 . 1 1 57 57 ARG CB C 57 30.220 30.220 29.938 0.282 19479 257 1 . 1 1 57 57 ARG H H 57 7.849 7.849 7.751 0.098 19479 258 1 . 1 1 58 58 GLU N N 58 116.079 116.079 118.925 -2.846 19479 259 1 . 1 1 58 58 GLU HA H 58 3.944 3.944 4.198 -0.254 19479 260 1 . 1 1 58 58 GLU CA C 58 58.351 58.351 58.356 -0.005 19479 261 1 . 1 1 58 58 GLU CB C 58 30.571 30.571 30.440 0.131 19479 262 1 . 1 1 58 58 GLU H H 58 7.874 7.874 8.124 -0.250 19479 263 1 . 1 1 59 59 TYR N N 59 112.274 112.274 116.608 -4.334 19479 264 1 . 1 1 59 59 TYR HA H 59 4.686 4.686 4.557 0.129 19479 265 1 . 1 1 59 59 TYR CA C 59 58.616 58.616 58.316 0.300 19479 266 1 . 1 1 59 59 TYR CB C 59 40.589 40.589 38.445 2.144 19479 267 1 . 1 1 59 59 TYR H H 59 8.303 8.303 8.339 -0.036 19479 268 1 . 1 1 60 60 GLN N N 60 115.629 115.629 115.161 0.468 19479 269 1 . 1 1 60 60 GLN HA H 60 3.481 3.481 4.265 -0.784 19479 270 1 . 1 1 60 60 GLN CA C 60 57.418 57.418 56.728 0.690 19479 271 1 . 1 1 60 60 GLN CB C 60 25.628 25.628 26.724 -1.096 19479 272 1 . 1 1 60 60 GLN H H 60 8.382 8.382 7.911 0.471 19479 273 1 . 1 1 61 61 VAL N N 61 114.547 114.547 116.929 -2.381 19479 274 1 . 1 1 61 61 VAL HA H 61 4.347 4.347 4.218 0.129 19479 275 1 . 1 1 61 61 VAL CA C 61 60.118 60.118 60.116 0.002 19479 276 1 . 1 1 61 61 VAL CB C 61 35.547 35.547 35.245 0.302 19479 277 1 . 1 1 61 61 VAL H H 61 6.532 6.532 7.800 -1.268 19479 278 1 . 1 1 62 62 GLU N N 62 125.938 125.938 128.420 -2.482 19479 279 1 . 1 1 62 62 GLU HA H 62 4.270 4.270 3.526 0.744 19479 280 1 . 1 1 62 62 GLU CA C 62 55.857 55.857 56.700 -0.843 19479 281 1 . 1 1 62 62 GLU CB C 62 30.334 30.334 30.029 0.305 19479 282 1 . 1 1 62 62 GLU H H 62 8.741 8.741 8.372 0.369 19479 283 1 . 1 1 63 63 LEU N N 63 127.837 127.837 128.623 -0.786 19479 284 1 . 1 1 63 63 LEU HA H 63 4.845 4.845 4.807 0.038 19479 285 1 . 1 1 63 63 LEU CA C 63 50.751 50.751 50.928 -0.177 19479 286 1 . 1 1 63 63 LEU CB C 63 43.313 43.313 42.984 0.329 19479 287 1 . 1 1 63 63 LEU H H 63 8.939 8.939 8.350 0.589 19479 288 1 . 1 1 64 64 PRO HA H 64 4.446 4.446 4.532 -0.086 19479 289 1 . 1 1 64 64 PRO CA C 64 62.060 62.060 61.944 0.116 19479 290 1 . 1 1 64 64 PRO CB C 64 32.346 32.346 32.936 -0.590 19479 291 1 . 1 1 65 65 LEU N N 65 126.325 126.325 123.639 2.686 19479 292 1 . 1 1 65 65 LEU HA H 65 3.772 3.772 3.945 -0.173 19479 293 1 . 1 1 65 65 LEU CA C 65 58.426 58.426 57.818 0.608 19479 294 1 . 1 1 65 65 LEU CB C 65 40.688 40.688 41.871 -1.183 19479 295 1 . 1 1 65 65 LEU H H 65 8.746 8.746 8.749 -0.003 19479 296 1 . 1 1 66 66 LYS N N 66 114.157 114.157 118.359 -4.202 19479 297 1 . 1 1 66 66 LYS HA H 66 3.999 3.999 4.330 -0.331 19479 298 1 . 1 1 66 66 LYS CA C 66 59.383 59.383 59.285 0.098 19479 299 1 . 1 1 66 66 LYS CB C 66 32.166 32.166 31.806 0.360 19479 300 1 . 1 1 66 66 LYS H H 66 8.551 8.551 8.372 0.179 19479 301 1 . 1 1 67 67 VAL N N 67 119.827 119.827 119.491 0.336 19479 302 1 . 1 1 67 67 VAL HA H 67 3.611 3.611 3.691 -0.080 19479 303 1 . 1 1 67 67 VAL CA C 67 65.655 65.655 65.048 0.607 19479 304 1 . 1 1 67 67 VAL CB C 67 31.425 31.425 31.487 -0.062 19479 305 1 . 1 1 67 67 VAL H H 67 7.190 7.190 7.708 -0.518 19479 306 1 . 1 1 68 68 LEU N N 68 120.867 120.867 122.358 -1.491 19479 307 1 . 1 1 68 68 LEU HA H 68 3.922 3.922 3.877 0.045 19479 308 1 . 1 1 68 68 LEU CA C 68 58.322 58.322 57.912 0.410 19479 309 1 . 1 1 68 68 LEU CB C 68 41.911 41.911 41.039 0.872 19479 310 1 . 1 1 68 68 LEU H H 68 6.936 6.936 7.373 -0.437 19479 311 1 . 1 1 69 69 PHE N N 69 112.682 112.682 117.011 -4.329 19479 312 1 . 1 1 69 69 PHE HA H 69 4.265 4.265 4.709 -0.444 19479 313 1 . 1 1 69 69 PHE CA C 69 60.265 60.265 59.997 0.268 19479 314 1 . 1 1 69 69 PHE CB C 69 38.725 38.725 38.617 0.108 19479 315 1 . 1 1 69 69 PHE H H 69 8.201 8.201 8.549 -0.348 19479 316 1 . 1 1 70 70 ALA N N 70 118.803 118.803 121.680 -2.877 19479 317 1 . 1 1 70 70 ALA HA H 70 4.302 4.302 3.583 0.719 19479 318 1 . 1 1 70 70 ALA CA C 70 54.025 54.025 53.244 0.781 19479 319 1 . 1 1 70 70 ALA CB C 70 19.656 19.656 19.169 0.487 19479 320 1 . 1 1 70 70 ALA H H 70 7.448 7.448 7.140 0.308 19479 321 1 . 1 1 71 71 GLN N N 71 116.280 116.280 115.494 0.786 19479 322 1 . 1 1 71 71 GLN HA H 71 4.848 4.848 4.750 0.098 19479 323 1 . 1 1 71 71 GLN CA C 71 53.120 53.120 52.389 0.731 19479 324 1 . 1 1 71 71 GLN CB C 71 29.026 29.026 29.808 -0.782 19479 325 1 . 1 1 71 71 GLN H H 71 7.561 7.561 7.985 -0.424 19479 326 1 . 1 1 72 72 PRO HA H 72 4.989 4.989 4.670 0.318 19479 327 1 . 1 1 72 72 PRO CA C 72 64.307 64.307 63.118 1.189 19479 328 1 . 1 1 72 72 PRO CB C 72 30.240 30.240 30.253 -0.013 19479 329 1 . 1 1 73 73 THR N N 73 109.972 109.972 111.658 -1.686 19479 330 1 . 1 1 73 73 THR HA H 73 5.198 5.198 5.244 -0.046 19479 331 1 . 1 1 73 73 THR CA C 73 59.292 59.292 59.520 -0.228 19479 332 1 . 1 1 73 73 THR CB C 73 72.314 72.314 73.047 -0.732 19479 333 1 . 1 1 73 73 THR H H 73 8.303 8.303 8.075 0.228 19479 334 1 . 1 1 74 74 ILE N N 74 125.105 125.105 123.527 1.578 19479 335 1 . 1 1 74 74 ILE HA H 74 3.061 3.061 3.315 -0.254 19479 336 1 . 1 1 74 74 ILE CA C 74 66.019 66.019 64.055 1.964 19479 337 1 . 1 1 74 74 ILE CB C 74 37.443 37.443 36.732 0.711 19479 338 1 . 1 1 74 74 ILE H H 74 9.908 9.908 8.915 0.993 19479 339 1 . 1 1 75 75 LYS N N 75 119.445 119.445 120.952 -1.507 19479 340 1 . 1 1 75 75 LYS HA H 75 3.797 3.797 3.980 -0.182 19479 341 1 . 1 1 75 75 LYS CA C 75 60.205 60.205 60.157 0.048 19479 342 1 . 1 1 75 75 LYS CB C 75 33.098 33.098 32.110 0.988 19479 343 1 . 1 1 75 75 LYS H H 75 9.024 9.024 7.955 1.069 19479 344 1 . 1 1 76 76 ALA N N 76 119.581 119.581 121.385 -1.804 19479 345 1 . 1 1 76 76 ALA HA H 76 4.216 4.216 4.144 0.072 19479 346 1 . 1 1 76 76 ALA CA C 76 54.809 54.809 54.865 -0.056 19479 347 1 . 1 1 76 76 ALA CB C 76 19.422 19.422 18.207 1.215 19479 348 1 . 1 1 76 76 ALA H H 76 7.621 7.621 7.946 -0.325 19479 349 1 . 1 1 77 77 LEU N N 77 121.833 121.833 118.962 2.871 19479 350 1 . 1 1 77 77 LEU HA H 77 4.097 4.097 3.974 0.123 19479 351 1 . 1 1 77 77 LEU CA C 77 57.612 57.612 57.567 0.045 19479 352 1 . 1 1 77 77 LEU CB C 77 42.192 42.192 41.381 0.811 19479 353 1 . 1 1 77 77 LEU H H 77 8.915 8.915 7.991 0.924 19479 354 1 . 1 1 78 78 ALA N N 78 120.481 120.481 122.217 -1.736 19479 355 1 . 1 1 78 78 ALA HA H 78 3.751 3.751 3.860 -0.109 19479 356 1 . 1 1 78 78 ALA CA C 78 55.117 55.117 55.455 -0.338 19479 357 1 . 1 1 78 78 ALA CB C 78 19.603 19.603 18.189 1.414 19479 358 1 . 1 1 78 78 ALA H H 78 9.393 9.393 8.662 0.731 19479 359 1 . 1 1 79 79 GLN N N 79 117.799 117.799 117.835 -0.036 19479 360 1 . 1 1 79 79 GLN HA H 79 4.069 4.069 4.017 0.052 19479 361 1 . 1 1 79 79 GLN CA C 79 58.790 58.790 58.566 0.224 19479 362 1 . 1 1 79 79 GLN CB C 79 28.256 28.256 28.639 -0.383 19479 363 1 . 1 1 79 79 GLN H H 79 7.179 7.179 8.052 -0.873 19479 364 1 . 1 1 80 80 TYR N N 80 121.754 121.754 122.121 -0.367 19479 365 1 . 1 1 80 80 TYR HA H 80 3.982 3.982 4.094 -0.112 19479 366 1 . 1 1 80 80 TYR CA C 80 61.965 61.965 61.596 0.369 19479 367 1 . 1 1 80 80 TYR CB C 80 38.227 38.227 38.651 -0.424 19479 368 1 . 1 1 80 80 TYR H H 80 7.716 7.716 8.108 -0.392 19479 369 1 . 1 1 81 81 VAL N N 81 117.864 117.864 118.782 -0.918 19479 370 1 . 1 1 81 81 VAL HA H 81 3.264 3.264 3.420 -0.156 19479 371 1 . 1 1 81 81 VAL CA C 81 66.719 66.719 66.032 0.687 19479 372 1 . 1 1 81 81 VAL CB C 81 32.032 32.032 31.455 0.577 19479 373 1 . 1 1 81 81 VAL H H 81 8.536 8.536 8.603 -0.067 19479 374 1 . 1 1 82 82 ALA N N 82 121.044 121.044 122.376 -1.332 19479 375 1 . 1 1 82 82 ALA HA H 82 3.931 3.931 3.981 -0.050 19479 376 1 . 1 1 82 82 ALA CA C 82 55.130 55.130 55.270 -0.140 19479 377 1 . 1 1 82 82 ALA CB C 82 18.588 18.588 18.224 0.364 19479 378 1 . 1 1 82 82 ALA H H 82 8.420 8.420 8.241 0.179 19479 379 1 . 1 1 83 83 THR N N 83 109.020 109.020 111.528 -2.508 19479 380 1 . 1 1 83 83 THR HA H 83 4.081 4.081 4.005 0.076 19479 381 1 . 1 1 83 83 THR CA C 83 64.388 64.388 64.695 -0.307 19479 382 1 . 1 1 83 83 THR CB C 83 69.529 69.529 68.759 0.770 19479 383 1 . 1 1 83 83 THR H H 83 7.558 7.558 7.860 -0.302 19479 384 1 . 1 1 84 84 ARG N N 84 119.856 119.856 118.984 0.872 19479 385 1 . 1 1 84 84 ARG HA H 84 4.199 4.199 4.247 -0.048 19479 386 1 . 1 1 84 84 ARG CA C 84 56.279 56.279 57.993 -1.714 19479 387 1 . 1 1 84 84 ARG CB C 84 30.866 30.866 30.556 0.309 19479 388 1 . 1 1 84 84 ARG H H 84 7.368 7.368 7.355 0.013 19479 389 1 . 1 1 85 85 SER N N 85 114.607 114.607 113.882 0.725 19479 390 1 . 1 1 85 85 SER HA H 85 4.301 4.301 4.377 -0.076 19479 391 1 . 1 1 85 85 SER CA C 85 58.927 58.927 59.116 -0.189 19479 392 1 . 1 1 85 85 SER CB C 85 63.778 63.778 63.263 0.515 19479 393 1 . 1 1 85 85 SER H H 85 7.783 7.783 7.910 -0.127 19479 394 1 . 1 1 86 86 HIS HA H 86 4.608 4.608 4.513 0.095 19479 395 1 . 1 1 86 86 HIS CA C 86 56.102 56.102 55.915 0.187 19479 396 1 . 1 1 86 86 HIS CB C 86 30.233 30.233 29.947 0.286 19479 397 1 . 1 1 87 87 HIS N N 87 125.453 125.453 122.148 3.305 19479 398 1 . 1 1 87 87 HIS HA H 87 4.421 4.421 4.481 -0.060 19479 399 1 . 1 1 87 87 HIS CA C 87 57.381 57.381 55.987 1.394 19479 400 1 . 1 1 87 87 HIS CB C 87 30.430 30.430 30.040 0.390 19479 401 1 . 1 1 87 87 HIS H H 87 8.102 8.102 8.459 -0.357 19479 stop_ save_