data_19869 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19869 _Entry.PDB_ID 2MMV 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 19869 _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 8 8 PRO HA H 8 4.396 4.396 4.571 -0.175 19869 2 1 1 . 1 1 8 8 PRO CA C 8 63.046 63.046 62.288 0.759 19869 3 1 1 . 1 1 8 8 PRO CB C 8 32.151 32.151 32.529 -0.378 19869 4 1 1 . 1 1 9 9 LYS N N 9 121.282 121.282 120.229 1.053 19869 5 1 1 . 1 1 9 9 LYS HA H 9 4.373 4.373 4.158 0.215 19869 6 1 1 . 1 1 9 9 LYS CA C 9 56.140 56.140 56.419 -0.279 19869 7 1 1 . 1 1 9 9 LYS CB C 9 33.680 33.680 31.680 2.000 19869 8 1 1 . 1 1 9 9 LYS H H 9 8.363 8.363 8.346 0.017 19869 9 1 1 . 1 1 10 10 THR N N 10 117.787 117.787 117.251 0.536 19869 10 1 1 . 1 1 10 10 THR HA H 10 4.357 4.357 4.352 0.005 19869 11 1 1 . 1 1 10 10 THR CA C 10 61.620 61.620 61.186 0.434 19869 12 1 1 . 1 1 10 10 THR CB C 10 70.393 70.393 70.087 0.306 19869 13 1 1 . 1 1 10 10 THR H H 10 8.675 8.675 8.290 0.385 19869 14 1 1 . 1 1 11 11 ARG N N 11 123.980 123.980 124.206 -0.226 19869 15 1 1 . 1 1 11 11 ARG HA H 11 5.043 5.043 5.039 0.004 19869 16 1 1 . 1 1 11 11 ARG CA C 11 55.142 55.142 55.100 0.042 19869 17 1 1 . 1 1 11 11 ARG CB C 11 32.130 32.130 32.740 -0.610 19869 18 1 1 . 1 1 11 11 ARG H H 11 8.322 8.322 8.399 -0.077 19869 19 1 1 . 1 1 12 12 VAL N N 12 124.311 124.311 120.204 4.107 19869 20 1 1 . 1 1 12 12 VAL HA H 12 4.410 4.410 4.372 0.038 19869 21 1 1 . 1 1 12 12 VAL CA C 12 60.866 60.866 60.366 0.500 19869 22 1 1 . 1 1 12 12 VAL CB C 12 35.447 35.447 36.715 -1.268 19869 23 1 1 . 1 1 12 12 VAL H H 12 8.853 8.853 9.158 -0.305 19869 24 1 1 . 1 1 13 13 SER N N 13 122.286 122.286 121.745 0.541 19869 25 1 1 . 1 1 13 13 SER HA H 13 5.435 5.435 5.245 0.191 19869 26 1 1 . 1 1 13 13 SER CA C 13 57.199 57.199 58.019 -0.820 19869 27 1 1 . 1 1 13 13 SER CB C 13 63.535 63.535 63.155 0.380 19869 28 1 1 . 1 1 13 13 SER H H 13 8.581 8.581 8.391 0.190 19869 29 1 1 . 1 1 14 14 VAL N N 14 119.340 119.340 119.959 -0.619 19869 30 1 1 . 1 1 14 14 VAL HA H 14 4.491 4.491 4.585 -0.094 19869 31 1 1 . 1 1 14 14 VAL CA C 14 56.271 56.271 59.031 -2.760 19869 32 1 1 . 1 1 14 14 VAL CB C 14 35.709 35.709 34.693 1.016 19869 33 1 1 . 1 1 14 14 VAL H H 14 9.154 9.154 9.091 0.063 19869 34 1 1 . 1 1 15 15 ARG N N 15 123.689 123.689 123.404 0.285 19869 35 1 1 . 1 1 15 15 ARG HA H 15 5.333 5.333 5.277 0.056 19869 36 1 1 . 1 1 15 15 ARG CA C 15 54.830 54.830 55.181 -0.351 19869 37 1 1 . 1 1 15 15 ARG CB C 15 31.780 31.780 31.341 0.439 19869 38 1 1 . 1 1 15 15 ARG H H 15 8.467 8.467 8.469 -0.002 19869 39 1 1 . 1 1 16 16 ILE N N 16 125.117 125.117 125.627 -0.510 19869 40 1 1 . 1 1 16 16 ILE HA H 16 4.189 4.189 4.461 -0.272 19869 41 1 1 . 1 1 16 16 ILE CA C 16 61.240 61.240 60.763 0.478 19869 42 1 1 . 1 1 16 16 ILE CB C 16 41.680 41.680 40.525 1.155 19869 43 1 1 . 1 1 16 16 ILE H H 16 9.174 9.174 9.249 -0.075 19869 44 1 1 . 1 1 17 17 TYR N N 17 137.064 137.064 129.296 7.768 19869 45 1 1 . 1 1 17 17 TYR HA H 17 3.836 3.836 4.161 -0.325 19869 46 1 1 . 1 1 17 17 TYR CA C 17 59.876 59.876 59.829 0.047 19869 47 1 1 . 1 1 17 17 TYR CB C 17 39.379 39.379 36.950 2.429 19869 48 1 1 . 1 1 17 17 TYR H H 17 10.623 10.623 10.080 0.543 19869 49 1 1 . 1 1 18 18 GLY N N 18 102.991 102.991 104.651 -1.660 19869 50 1 1 . 1 1 18 18 GLY CA C 18 45.674 45.674 45.029 0.645 19869 51 1 1 . 1 1 18 18 GLY H H 18 8.604 8.604 8.684 -0.080 19869 52 1 1 . 1 1 19 19 GLN N N 19 119.104 119.104 121.025 -1.921 19869 53 1 1 . 1 1 19 19 GLN HA H 19 4.566 4.566 4.464 0.102 19869 54 1 1 . 1 1 19 19 GLN CA C 19 53.719 53.719 54.332 -0.613 19869 55 1 1 . 1 1 19 19 GLN CB C 19 32.230 32.230 30.367 1.863 19869 56 1 1 . 1 1 19 19 GLN H H 19 7.724 7.724 7.805 -0.081 19869 57 1 1 . 1 1 20 20 ASP N N 20 121.913 121.913 119.959 1.954 19869 58 1 1 . 1 1 20 20 ASP HA H 20 5.340 5.340 5.293 0.047 19869 59 1 1 . 1 1 20 20 ASP CA C 20 54.370 54.370 53.039 1.331 19869 60 1 1 . 1 1 20 20 ASP CB C 20 42.600 42.600 41.994 0.606 19869 61 1 1 . 1 1 20 20 ASP H H 20 8.217 8.217 8.215 0.002 19869 62 1 1 . 1 1 21 21 TYR N N 21 120.801 120.801 121.256 -0.455 19869 63 1 1 . 1 1 21 21 TYR HA H 21 4.538 4.538 4.807 -0.269 19869 64 1 1 . 1 1 21 21 TYR CA C 21 57.640 57.640 56.992 0.648 19869 65 1 1 . 1 1 21 21 TYR CB C 21 42.201 42.201 42.798 -0.597 19869 66 1 1 . 1 1 21 21 TYR H H 21 9.330 9.330 9.052 0.278 19869 67 1 1 . 1 1 22 22 THR N N 22 118.813 118.813 120.962 -2.149 19869 68 1 1 . 1 1 22 22 THR HA H 22 4.390 4.390 5.379 -0.989 19869 69 1 1 . 1 1 22 22 THR CA C 22 63.230 63.230 61.490 1.740 19869 70 1 1 . 1 1 22 22 THR CB C 22 69.380 69.380 69.287 0.093 19869 71 1 1 . 1 1 22 22 THR H H 22 8.888 8.888 8.692 0.196 19869 72 1 1 . 1 1 23 23 ILE N N 23 129.291 129.291 124.155 5.136 19869 73 1 1 . 1 1 23 23 ILE HA H 23 4.268 4.268 4.842 -0.574 19869 74 1 1 . 1 1 23 23 ILE CA C 23 59.121 59.121 58.457 0.664 19869 75 1 1 . 1 1 23 23 ILE CB C 23 37.060 37.060 40.984 -3.924 19869 76 1 1 . 1 1 23 23 ILE H H 23 9.212 9.212 8.507 0.705 19869 77 1 1 . 1 1 24 24 VAL N N 24 127.112 127.112 120.813 6.299 19869 78 1 1 . 1 1 24 24 VAL HA H 24 5.073 5.073 4.228 0.845 19869 79 1 1 . 1 1 24 24 VAL CA C 24 60.246 60.246 63.490 -3.244 19869 80 1 1 . 1 1 24 24 VAL CB C 24 33.415 33.415 31.591 1.824 19869 81 1 1 . 1 1 24 24 VAL H H 24 8.345 8.345 8.313 0.032 19869 82 1 1 . 1 1 25 25 GLY N N 25 113.745 113.745 117.184 -3.439 19869 83 1 1 . 1 1 25 25 GLY CA C 25 45.920 45.920 44.817 1.103 19869 84 1 1 . 1 1 25 25 GLY H H 25 8.540 8.540 8.610 -0.070 19869 85 1 1 . 1 1 26 26 ALA N N 26 123.321 123.321 120.955 2.366 19869 86 1 1 . 1 1 26 26 ALA HA H 26 4.644 4.644 3.970 0.674 19869 87 1 1 . 1 1 26 26 ALA CA C 26 51.639 51.639 52.731 -1.092 19869 88 1 1 . 1 1 26 26 ALA CB C 26 19.725 19.725 17.714 2.011 19869 89 1 1 . 1 1 26 26 ALA H H 26 8.593 8.593 8.067 0.526 19869 90 1 1 . 1 1 27 27 GLU N N 27 118.135 118.135 116.595 1.540 19869 91 1 1 . 1 1 27 27 GLU HA H 27 4.302 4.302 4.396 -0.094 19869 92 1 1 . 1 1 27 27 GLU CA C 27 55.670 55.670 55.011 0.659 19869 93 1 1 . 1 1 27 27 GLU CB C 27 30.724 30.724 30.380 0.345 19869 94 1 1 . 1 1 27 27 GLU H H 27 8.120 8.120 7.932 0.188 19869 95 1 1 . 1 1 28 28 SER N N 28 115.651 115.651 115.729 -0.078 19869 96 1 1 . 1 1 28 28 SER HA H 28 4.700 4.700 4.441 0.259 19869 97 1 1 . 1 1 28 28 SER CA C 28 56.044 56.044 56.467 -0.423 19869 98 1 1 . 1 1 28 28 SER H H 28 8.723 8.723 8.295 0.428 19869 99 1 1 . 1 1 29 29 PRO HA H 29 4.111 4.111 4.316 -0.205 19869 100 1 1 . 1 1 29 29 PRO CA C 29 65.792 65.792 64.529 1.262 19869 101 1 1 . 1 1 29 29 PRO CB C 29 31.750 31.750 31.781 -0.031 19869 102 1 1 . 1 1 30 30 ALA N N 30 117.252 117.252 118.523 -1.271 19869 103 1 1 . 1 1 30 30 ALA HA H 30 4.028 4.028 4.293 -0.265 19869 104 1 1 . 1 1 30 30 ALA CA C 30 55.258 55.258 53.395 1.863 19869 105 1 1 . 1 1 30 30 ALA CB C 30 18.240 18.240 19.064 -0.824 19869 106 1 1 . 1 1 30 30 ALA H H 30 7.994 7.994 7.620 0.374 19869 107 1 1 . 1 1 31 31 HIS N N 31 119.161 119.161 119.874 -0.713 19869 108 1 1 . 1 1 31 31 HIS HA H 31 4.278 4.278 4.341 -0.063 19869 109 1 1 . 1 1 31 31 HIS CA C 31 59.697 59.697 60.415 -0.718 19869 110 1 1 . 1 1 31 31 HIS CB C 31 30.320 30.320 30.380 -0.060 19869 111 1 1 . 1 1 31 31 HIS H H 31 7.902 7.902 7.680 0.222 19869 112 1 1 . 1 1 32 32 ILE N N 32 118.000 118.000 116.444 1.556 19869 113 1 1 . 1 1 32 32 ILE HA H 32 3.478 3.478 3.841 -0.363 19869 114 1 1 . 1 1 32 32 ILE CA C 32 63.480 63.480 64.592 -1.112 19869 115 1 1 . 1 1 32 32 ILE CB C 32 36.290 36.290 37.501 -1.211 19869 116 1 1 . 1 1 32 32 ILE H H 32 8.092 8.092 7.793 0.299 19869 117 1 1 . 1 1 33 33 ARG N N 33 118.612 118.612 118.838 -0.226 19869 118 1 1 . 1 1 33 33 ARG HA H 33 3.911 3.911 4.184 -0.273 19869 119 1 1 . 1 1 33 33 ARG CA C 33 60.741 60.741 58.319 2.422 19869 120 1 1 . 1 1 33 33 ARG CB C 33 29.839 29.839 29.581 0.258 19869 121 1 1 . 1 1 33 33 ARG H H 33 8.436 8.436 8.190 0.246 19869 122 1 1 . 1 1 34 34 LEU N N 34 122.935 122.935 117.327 5.608 19869 123 1 1 . 1 1 34 34 LEU HA H 34 4.154 4.154 4.471 -0.317 19869 124 1 1 . 1 1 34 34 LEU CA C 34 57.400 57.400 57.278 0.122 19869 125 1 1 . 1 1 34 34 LEU CB C 34 41.998 41.998 41.294 0.704 19869 126 1 1 . 1 1 34 34 LEU H H 34 7.565 7.565 7.591 -0.026 19869 127 1 1 . 1 1 35 35 VAL N N 35 121.579 121.579 121.614 -0.035 19869 128 1 1 . 1 1 35 35 VAL HA H 35 3.333 3.333 3.560 -0.227 19869 129 1 1 . 1 1 35 35 VAL CA C 35 66.440 66.440 67.124 -0.684 19869 130 1 1 . 1 1 35 35 VAL CB C 35 31.149 31.149 31.166 -0.017 19869 131 1 1 . 1 1 35 35 VAL H H 35 8.414 8.414 7.497 0.917 19869 132 1 1 . 1 1 36 36 ALA N N 36 121.368 121.368 120.836 0.532 19869 133 1 1 . 1 1 36 36 ALA HA H 36 3.794 3.794 4.059 -0.265 19869 134 1 1 . 1 1 36 36 ALA CA C 36 55.555 55.555 55.178 0.377 19869 135 1 1 . 1 1 36 36 ALA CB C 36 18.310 18.310 18.154 0.156 19869 136 1 1 . 1 1 36 36 ALA H H 36 8.791 8.791 7.631 1.160 19869 137 1 1 . 1 1 37 37 ALA N N 37 119.373 119.373 121.820 -2.447 19869 138 1 1 . 1 1 37 37 ALA HA H 37 4.305 4.305 4.029 0.276 19869 139 1 1 . 1 1 37 37 ALA CA C 37 54.825 54.825 55.069 -0.244 19869 140 1 1 . 1 1 37 37 ALA CB C 37 18.020 18.020 18.441 -0.421 19869 141 1 1 . 1 1 37 37 ALA H H 37 7.648 7.648 7.713 -0.065 19869 142 1 1 . 1 1 38 38 PHE N N 38 120.906 120.906 119.651 1.255 19869 143 1 1 . 1 1 38 38 PHE HA H 38 4.449 4.449 4.234 0.215 19869 144 1 1 . 1 1 38 38 PHE CA C 38 61.148 61.148 60.897 0.251 19869 145 1 1 . 1 1 38 38 PHE CB C 38 39.350 39.350 39.179 0.171 19869 146 1 1 . 1 1 38 38 PHE H H 38 7.923 7.923 8.192 -0.269 19869 147 1 1 . 1 1 39 39 VAL N N 39 119.731 119.731 119.453 0.278 19869 148 1 1 . 1 1 39 39 VAL HA H 39 3.219 3.219 3.292 -0.073 19869 149 1 1 . 1 1 39 39 VAL CA C 39 67.520 67.520 66.532 0.987 19869 150 1 1 . 1 1 39 39 VAL CB C 39 32.059 32.059 31.486 0.573 19869 151 1 1 . 1 1 39 39 VAL H H 39 8.482 8.482 7.590 0.892 19869 152 1 1 . 1 1 40 40 ASP N N 40 120.200 120.200 120.428 -0.228 19869 153 1 1 . 1 1 40 40 ASP HA H 40 4.449 4.449 4.376 0.073 19869 154 1 1 . 1 1 40 40 ASP CA C 40 58.600 58.600 58.122 0.478 19869 155 1 1 . 1 1 40 40 ASP CB C 40 43.300 43.300 41.005 2.295 19869 156 1 1 . 1 1 40 40 ASP H H 40 8.851 8.851 8.552 0.299 19869 157 1 1 . 1 1 41 41 ASP N N 41 120.967 120.967 119.833 1.134 19869 158 1 1 . 1 1 41 41 ASP HA H 41 4.532 4.532 4.429 0.103 19869 159 1 1 . 1 1 41 41 ASP CA C 41 57.860 57.860 57.213 0.647 19869 160 1 1 . 1 1 41 41 ASP CB C 41 40.560 40.560 40.670 -0.110 19869 161 1 1 . 1 1 41 41 ASP H H 41 8.743 8.743 8.415 0.328 19869 162 1 1 . 1 1 42 42 LYS N N 42 120.600 120.600 120.892 -0.292 19869 163 1 1 . 1 1 42 42 LYS HA H 42 3.967 3.967 4.199 -0.232 19869 164 1 1 . 1 1 42 42 LYS CA C 42 57.880 57.880 58.931 -1.051 19869 165 1 1 . 1 1 42 42 LYS CB C 42 31.440 31.440 32.303 -0.863 19869 166 1 1 . 1 1 42 42 LYS H H 42 7.990 7.990 7.584 0.406 19869 167 1 1 . 1 1 43 43 MET N N 43 119.600 119.600 118.167 1.433 19869 168 1 1 . 1 1 43 43 MET HA H 43 3.957 3.957 4.221 -0.264 19869 169 1 1 . 1 1 43 43 MET CA C 43 55.600 55.600 59.654 -4.054 19869 170 1 1 . 1 1 43 43 MET CB C 43 33.950 33.950 32.692 1.258 19869 171 1 1 . 1 1 43 43 MET H H 43 8.844 8.844 8.320 0.524 19869 172 1 1 . 1 1 44 44 HIS N N 44 115.981 115.981 119.994 -4.013 19869 173 1 1 . 1 1 44 44 HIS HA H 44 4.408 4.408 4.305 0.103 19869 174 1 1 . 1 1 44 44 HIS CA C 44 61.250 61.250 60.189 1.061 19869 175 1 1 . 1 1 44 44 HIS CB C 44 28.045 28.045 30.486 -2.441 19869 176 1 1 . 1 1 44 44 HIS H H 44 8.296 8.296 8.392 -0.096 19869 177 1 1 . 1 1 45 45 GLU N N 45 122.501 122.501 118.045 4.456 19869 178 1 1 . 1 1 45 45 GLU HA H 45 4.034 4.034 4.110 -0.076 19869 179 1 1 . 1 1 45 45 GLU CA C 45 59.580 59.580 58.563 1.017 19869 180 1 1 . 1 1 45 45 GLU CB C 45 29.533 29.533 29.178 0.355 19869 181 1 1 . 1 1 45 45 GLU H H 45 8.399 8.399 8.185 0.214 19869 182 1 1 . 1 1 46 46 PHE N N 46 118.451 118.451 116.724 1.727 19869 183 1 1 . 1 1 46 46 PHE HA H 46 4.183 4.183 4.608 -0.425 19869 184 1 1 . 1 1 46 46 PHE CA C 46 61.689 61.689 59.433 2.256 19869 185 1 1 . 1 1 46 46 PHE CB C 46 38.979 38.979 39.827 -0.848 19869 186 1 1 . 1 1 46 46 PHE H H 46 8.320 8.320 7.302 1.018 19869 187 1 1 . 1 1 47 47 SER N N 47 114.878 114.878 115.716 -0.838 19869 188 1 1 . 1 1 47 47 SER HA H 47 4.111 4.111 4.253 -0.142 19869 189 1 1 . 1 1 47 47 SER CA C 47 60.281 60.281 61.769 -1.488 19869 190 1 1 . 1 1 47 47 SER CB C 47 63.321 63.321 63.032 0.289 19869 191 1 1 . 1 1 47 47 SER H H 47 8.278 8.278 8.269 0.009 19869 192 1 1 . 1 1 48 48 GLU N N 48 118.579 118.579 118.440 0.139 19869 193 1 1 . 1 1 48 48 GLU HA H 48 4.059 4.059 4.270 -0.211 19869 194 1 1 . 1 1 48 48 GLU CA C 48 58.641 58.641 58.201 0.440 19869 195 1 1 . 1 1 48 48 GLU CB C 48 29.720 29.720 29.544 0.176 19869 196 1 1 . 1 1 48 48 GLU H H 48 7.651 7.651 7.848 -0.197 19869 197 1 1 . 1 1 49 49 LYS N N 49 116.048 116.048 118.140 -2.092 19869 198 1 1 . 1 1 49 49 LYS HA H 49 4.211 4.211 4.300 -0.089 19869 199 1 1 . 1 1 49 49 LYS CA C 49 57.580 57.580 56.161 1.419 19869 200 1 1 . 1 1 49 49 LYS CB C 49 33.450 33.450 33.139 0.311 19869 201 1 1 . 1 1 49 49 LYS H H 49 7.281 7.281 7.339 -0.058 19869 202 1 1 . 1 1 50 50 GLN N N 50 117.953 117.953 116.408 1.545 19869 203 1 1 . 1 1 50 50 GLN HA H 50 4.249 4.249 4.112 0.137 19869 204 1 1 . 1 1 50 50 GLN CA C 50 55.610 55.610 55.732 -0.122 19869 205 1 1 . 1 1 50 50 GLN CB C 50 30.050 30.050 26.905 3.145 19869 206 1 1 . 1 1 50 50 GLN H H 50 7.930 7.930 7.761 0.169 19869 207 1 1 . 1 1 51 51 PRO HA H 51 4.597 4.597 4.262 0.335 19869 208 1 1 . 1 1 51 51 PRO CA C 51 63.600 63.600 64.914 -1.314 19869 209 1 1 . 1 1 51 51 PRO CB C 51 32.522 32.522 31.974 0.548 19869 210 1 1 . 1 1 52 52 MET N N 52 115.230 115.230 115.972 -0.742 19869 211 1 1 . 1 1 52 52 MET HA H 52 4.513 4.513 4.679 -0.166 19869 212 1 1 . 1 1 52 52 MET CA C 52 55.505 55.505 54.515 0.990 19869 213 1 1 . 1 1 52 52 MET CB C 52 30.920 30.920 32.580 -1.660 19869 214 1 1 . 1 1 52 52 MET H H 52 8.558 8.558 8.039 0.519 19869 215 1 1 . 1 1 53 53 LEU N N 53 120.540 120.540 118.727 1.813 19869 216 1 1 . 1 1 53 53 LEU HA H 53 4.252 4.252 4.084 0.168 19869 217 1 1 . 1 1 53 53 LEU CA C 53 55.690 55.690 55.326 0.364 19869 218 1 1 . 1 1 53 53 LEU CB C 53 42.728 42.728 41.314 1.414 19869 219 1 1 . 1 1 53 53 LEU H H 53 7.557 7.557 7.869 -0.312 19869 220 1 1 . 1 1 54 54 ASP N N 54 121.294 121.294 118.223 3.071 19869 221 1 1 . 1 1 54 54 ASP HA H 54 4.640 4.640 4.749 -0.109 19869 222 1 1 . 1 1 54 54 ASP CA C 54 52.280 52.280 53.080 -0.800 19869 223 1 1 . 1 1 54 54 ASP CB C 54 41.330 41.330 43.082 -1.752 19869 224 1 1 . 1 1 54 54 ASP H H 54 7.941 7.941 7.774 0.167 19869 225 1 1 . 1 1 55 55 VAL N N 55 118.701 118.701 121.952 -3.251 19869 226 1 1 . 1 1 55 55 VAL HA H 55 4.277 4.277 4.003 0.274 19869 227 1 1 . 1 1 55 55 VAL CA C 55 62.510 62.510 66.097 -3.587 19869 228 1 1 . 1 1 55 55 VAL CB C 55 29.900 29.900 29.857 0.043 19869 229 1 1 . 1 1 55 55 VAL H H 55 8.444 8.444 8.334 0.110 19869 230 1 1 . 1 1 56 56 PRO HA H 56 3.981 3.981 4.195 -0.214 19869 231 1 1 . 1 1 56 56 PRO CA C 56 66.840 66.840 65.627 1.213 19869 232 1 1 . 1 1 56 56 PRO CB C 56 30.875 30.875 31.148 -0.273 19869 233 1 1 . 1 1 57 57 LYS N N 57 114.335 114.335 116.332 -1.997 19869 234 1 1 . 1 1 57 57 LYS HA H 57 4.213 4.213 4.203 0.010 19869 235 1 1 . 1 1 57 57 LYS CA C 57 60.027 60.027 57.958 2.069 19869 236 1 1 . 1 1 57 57 LYS CB C 57 33.700 33.700 31.574 2.126 19869 237 1 1 . 1 1 57 57 LYS H H 57 7.224 7.224 8.401 -1.177 19869 238 1 1 . 1 1 58 58 LEU N N 58 119.010 119.010 119.879 -0.869 19869 239 1 1 . 1 1 58 58 LEU HA H 58 3.714 3.714 4.224 -0.510 19869 240 1 1 . 1 1 58 58 LEU CA C 58 57.900 57.900 56.630 1.270 19869 241 1 1 . 1 1 58 58 LEU CB C 58 42.966 42.966 41.819 1.147 19869 242 1 1 . 1 1 58 58 LEU H H 58 8.369 8.369 7.597 0.772 19869 243 1 1 . 1 1 59 59 ALA N N 59 122.559 122.559 122.544 0.015 19869 244 1 1 . 1 1 59 59 ALA HA H 59 3.720 3.720 4.027 -0.307 19869 245 1 1 . 1 1 59 59 ALA CA C 59 55.510 55.510 54.791 0.719 19869 246 1 1 . 1 1 59 59 ALA CB C 59 19.020 19.020 18.393 0.627 19869 247 1 1 . 1 1 59 59 ALA H H 59 8.686 8.686 7.508 1.178 19869 248 1 1 . 1 1 60 60 VAL N N 60 118.664 118.664 118.814 -0.150 19869 249 1 1 . 1 1 60 60 VAL HA H 60 3.251 3.251 3.743 -0.492 19869 250 1 1 . 1 1 60 60 VAL CA C 60 67.397 67.397 65.377 2.020 19869 251 1 1 . 1 1 60 60 VAL CB C 60 31.340 31.340 31.975 -0.635 19869 252 1 1 . 1 1 60 60 VAL H H 60 7.777 7.777 7.447 0.330 19869 253 1 1 . 1 1 61 61 LEU N N 61 118.415 118.415 119.403 -0.988 19869 254 1 1 . 1 1 61 61 LEU HA H 61 3.553 3.553 4.016 -0.463 19869 255 1 1 . 1 1 61 61 LEU CA C 61 58.150 58.150 57.798 0.352 19869 256 1 1 . 1 1 61 61 LEU CB C 61 40.340 40.340 41.567 -1.227 19869 257 1 1 . 1 1 61 61 LEU H H 61 8.328 8.328 7.154 1.174 19869 258 1 1 . 1 1 62 62 THR N N 62 117.416 117.416 113.165 4.251 19869 259 1 1 . 1 1 62 62 THR HA H 62 4.130 4.130 3.932 0.199 19869 260 1 1 . 1 1 62 62 THR CA C 62 67.220 67.220 65.572 1.649 19869 261 1 1 . 1 1 62 62 THR CB C 62 68.364 68.364 68.066 0.298 19869 262 1 1 . 1 1 62 62 THR H H 62 7.787 7.787 7.548 0.239 19869 263 1 1 . 1 1 63 63 ALA N N 63 124.319 124.319 124.831 -0.512 19869 264 1 1 . 1 1 63 63 ALA HA H 63 3.746 3.746 4.084 -0.338 19869 265 1 1 . 1 1 63 63 ALA CA C 63 56.243 56.243 55.185 1.058 19869 266 1 1 . 1 1 63 63 ALA CB C 63 17.121 17.121 17.883 -0.762 19869 267 1 1 . 1 1 63 63 ALA H H 63 8.175 8.175 7.667 0.508 19869 268 1 1 . 1 1 64 64 VAL N N 64 116.756 116.756 118.093 -1.337 19869 269 1 1 . 1 1 64 64 VAL HA H 64 3.324 3.324 3.654 -0.330 19869 270 1 1 . 1 1 64 64 VAL CA C 64 66.543 66.543 65.433 1.111 19869 271 1 1 . 1 1 64 64 VAL CB C 64 31.340 31.340 31.758 -0.418 19869 272 1 1 . 1 1 64 64 VAL H H 64 8.422 8.422 7.613 0.809 19869 273 1 1 . 1 1 65 65 GLN N N 65 120.091 120.091 120.221 -0.130 19869 274 1 1 . 1 1 65 65 GLN HA H 65 4.015 4.015 4.194 -0.179 19869 275 1 1 . 1 1 65 65 GLN CA C 65 59.290 59.290 58.548 0.742 19869 276 1 1 . 1 1 65 65 GLN CB C 65 28.450 28.450 28.768 -0.318 19869 277 1 1 . 1 1 65 65 GLN H H 65 7.924 7.924 7.532 0.392 19869 278 1 1 . 1 1 66 66 ILE N N 66 118.358 118.358 120.663 -2.305 19869 279 1 1 . 1 1 66 66 ILE HA H 66 3.526 3.526 4.304 -0.778 19869 280 1 1 . 1 1 66 66 ILE CA C 66 65.305 65.305 64.982 0.323 19869 281 1 1 . 1 1 66 66 ILE H H 66 8.441 8.441 8.640 -0.199 19869 282 1 1 . 1 1 67 67 ALA N N 67 121.518 121.518 121.178 0.340 19869 283 1 1 . 1 1 67 67 ALA HA H 67 4.025 4.025 4.109 -0.084 19869 284 1 1 . 1 1 67 67 ALA CA C 67 55.501 55.501 55.529 -0.028 19869 285 1 1 . 1 1 67 67 ALA CB C 67 19.668 19.668 18.386 1.282 19869 286 1 1 . 1 1 67 67 ALA H H 67 8.947 8.947 7.874 1.073 19869 287 1 1 . 1 1 68 68 SER N N 68 112.523 112.523 114.284 -1.761 19869 288 1 1 . 1 1 68 68 SER HA H 68 4.174 4.174 4.161 0.013 19869 289 1 1 . 1 1 68 68 SER CA C 68 61.429 61.429 61.843 -0.414 19869 290 1 1 . 1 1 68 68 SER CB C 68 63.011 63.011 63.091 -0.080 19869 291 1 1 . 1 1 68 68 SER H H 68 8.492 8.492 7.919 0.573 19869 292 1 1 . 1 1 69 69 GLU N N 69 117.397 117.397 121.007 -3.610 19869 293 1 1 . 1 1 69 69 GLU HA H 69 3.998 3.998 4.121 -0.123 19869 294 1 1 . 1 1 69 69 GLU CA C 69 59.181 59.181 58.690 0.491 19869 295 1 1 . 1 1 69 69 GLU CB C 69 28.760 28.760 29.060 -0.300 19869 296 1 1 . 1 1 69 69 GLU H H 69 7.579 7.579 8.284 -0.705 19869 297 1 1 . 1 1 70 70 TYR N N 70 120.853 120.853 117.400 3.453 19869 298 1 1 . 1 1 70 70 TYR HA H 70 4.352 4.352 4.558 -0.206 19869 299 1 1 . 1 1 70 70 TYR CA C 70 60.530 60.530 60.055 0.475 19869 300 1 1 . 1 1 70 70 TYR CB C 70 38.480 38.480 39.758 -1.278 19869 301 1 1 . 1 1 70 70 TYR H H 70 8.635 8.635 7.564 1.071 19869 302 1 1 . 1 1 71 71 LEU N N 71 119.400 119.400 121.492 -2.092 19869 303 1 1 . 1 1 71 71 LEU HA H 71 3.554 3.554 3.883 -0.329 19869 304 1 1 . 1 1 71 71 LEU CA C 71 58.368 58.368 58.610 -0.242 19869 305 1 1 . 1 1 71 71 LEU CB C 71 40.564 40.564 41.946 -1.382 19869 306 1 1 . 1 1 71 71 LEU H H 71 8.836 8.836 8.322 0.514 19869 307 1 1 . 1 1 72 72 LYS N N 72 119.127 119.127 118.373 0.754 19869 308 1 1 . 1 1 72 72 LYS HA H 72 4.095 4.095 4.032 0.063 19869 309 1 1 . 1 1 72 72 LYS CA C 72 59.780 59.780 59.146 0.634 19869 310 1 1 . 1 1 72 72 LYS CB C 72 32.640 32.640 31.824 0.816 19869 311 1 1 . 1 1 72 72 LYS H H 72 7.957 7.957 7.672 0.285 19869 312 1 1 . 1 1 73 73 LEU N N 73 122.487 122.487 121.337 1.150 19869 313 1 1 . 1 1 73 73 LEU HA H 73 4.127 4.127 4.185 -0.058 19869 314 1 1 . 1 1 73 73 LEU CA C 73 57.340 57.340 57.610 -0.270 19869 315 1 1 . 1 1 73 73 LEU CB C 73 41.020 41.020 41.718 -0.698 19869 316 1 1 . 1 1 73 73 LEU H H 73 8.033 8.033 7.362 0.671 19869 317 1 1 . 1 1 74 74 LYS N N 74 120.309 120.309 118.157 2.152 19869 318 1 1 . 1 1 74 74 LYS HA H 74 3.759 3.759 4.081 -0.322 19869 319 1 1 . 1 1 74 74 LYS CA C 74 60.700 60.700 59.475 1.225 19869 320 1 1 . 1 1 74 74 LYS CB C 74 32.140 32.140 31.983 0.157 19869 321 1 1 . 1 1 74 74 LYS H H 74 8.750 8.750 7.840 0.910 19869 322 1 1 . 1 1 75 75 GLU N N 75 118.296 118.296 120.458 -2.162 19869 323 1 1 . 1 1 75 75 GLU HA H 75 4.098 4.098 4.101 -0.003 19869 324 1 1 . 1 1 75 75 GLU CA C 75 59.330 59.330 59.060 0.270 19869 325 1 1 . 1 1 75 75 GLU CB C 75 29.500 29.500 29.244 0.256 19869 326 1 1 . 1 1 75 75 GLU H H 75 7.274 7.274 8.204 -0.930 19869 327 1 1 . 1 1 76 76 GLU N N 76 120.788 120.788 120.066 0.722 19869 328 1 1 . 1 1 76 76 GLU HA H 76 4.152 4.152 4.013 0.139 19869 329 1 1 . 1 1 76 76 GLU CA C 76 59.082 59.082 59.336 -0.254 19869 330 1 1 . 1 1 76 76 GLU CB C 76 29.235 29.235 29.645 -0.410 19869 331 1 1 . 1 1 76 76 GLU H H 76 7.756 7.756 7.552 0.204 19869 332 1 1 . 1 1 77 77 TYR N N 77 121.399 121.399 120.570 0.829 19869 333 1 1 . 1 1 77 77 TYR HA H 77 4.210 4.210 4.151 0.059 19869 334 1 1 . 1 1 77 77 TYR CA C 77 61.704 61.704 61.280 0.424 19869 335 1 1 . 1 1 77 77 TYR CB C 77 38.889 38.889 38.145 0.744 19869 336 1 1 . 1 1 77 77 TYR H H 77 9.401 9.401 7.757 1.644 19869 337 1 1 . 1 1 78 78 GLN N N 78 118.068 118.068 116.874 1.194 19869 338 1 1 . 1 1 78 78 GLN HA H 78 3.784 3.784 3.881 -0.097 19869 339 1 1 . 1 1 78 78 GLN CA C 78 58.915 58.915 58.830 0.085 19869 340 1 1 . 1 1 78 78 GLN CB C 78 27.880 27.880 27.840 0.040 19869 341 1 1 . 1 1 78 78 GLN H H 78 8.169 8.169 7.695 0.474 19869 342 1 1 . 1 1 79 79 ARG N N 79 118.446 118.446 119.326 -0.880 19869 343 1 1 . 1 1 79 79 ARG HA H 79 4.045 4.045 4.434 -0.389 19869 344 1 1 . 1 1 79 79 ARG CA C 79 59.310 59.310 56.882 2.428 19869 345 1 1 . 1 1 79 79 ARG CB C 79 30.220 30.220 29.886 0.334 19869 346 1 1 . 1 1 79 79 ARG H H 79 7.814 7.814 7.857 -0.043 19869 347 1 1 . 1 1 80 80 LEU N N 80 121.039 121.039 121.875 -0.836 19869 348 1 1 . 1 1 80 80 LEU HA H 80 4.130 4.130 4.080 0.050 19869 349 1 1 . 1 1 80 80 LEU CA C 80 57.689 57.689 57.883 -0.194 19869 350 1 1 . 1 1 80 80 LEU CB C 80 41.670 41.670 41.973 -0.303 19869 351 1 1 . 1 1 80 80 LEU H H 80 7.989 7.989 8.728 -0.739 19869 352 1 1 . 1 1 81 81 ARG N N 81 117.498 117.498 117.519 -0.021 19869 353 1 1 . 1 1 81 81 ARG HA H 81 3.717 3.717 3.982 -0.265 19869 354 1 1 . 1 1 81 81 ARG CA C 81 59.030 59.030 59.170 -0.140 19869 355 1 1 . 1 1 81 81 ARG CB C 81 29.500 29.500 29.870 -0.370 19869 356 1 1 . 1 1 81 81 ARG H H 81 8.241 8.241 7.920 0.321 19869 357 1 1 . 1 1 82 82 GLU N N 82 117.300 117.300 119.062 -1.762 19869 358 1 1 . 1 1 82 82 GLU HA H 82 4.060 4.060 4.024 0.036 19869 359 1 1 . 1 1 82 82 GLU CA C 82 58.205 58.205 58.719 -0.514 19869 360 1 1 . 1 1 82 82 GLU CB C 82 29.539 29.539 28.933 0.606 19869 361 1 1 . 1 1 82 82 GLU H H 82 7.671 7.671 7.652 0.019 19869 362 1 1 . 1 1 83 83 GLN N N 83 117.205 117.205 118.105 -0.900 19869 363 1 1 . 1 1 83 83 GLN HA H 83 4.192 4.192 4.205 -0.013 19869 364 1 1 . 1 1 83 83 GLN CA C 83 56.940 56.940 57.674 -0.734 19869 365 1 1 . 1 1 83 83 GLN CB C 83 29.110 29.110 28.858 0.252 19869 366 1 1 . 1 1 83 83 GLN H H 83 7.745 7.745 7.516 0.229 19869 367 1 1 . 1 1 84 84 LEU N N 84 120.465 120.465 119.636 0.829 19869 368 1 1 . 1 1 84 84 LEU HA H 84 4.301 4.301 4.224 0.077 19869 369 1 1 . 1 1 84 84 LEU CA C 84 55.180 55.180 56.908 -1.728 19869 370 1 1 . 1 1 84 84 LEU CB C 84 42.190 42.190 41.799 0.391 19869 371 1 1 . 1 1 84 84 LEU H H 84 7.500 7.500 7.562 -0.062 19869 372 1 1 . 1 1 85 85 LYS N N 85 126.524 126.524 117.259 9.265 19869 373 1 1 . 1 1 85 85 LYS HA H 85 4.063 4.063 4.201 -0.138 19869 374 1 1 . 1 1 85 85 LYS CA C 85 57.499 57.499 56.682 0.817 19869 375 1 1 . 1 1 85 85 LYS CB C 85 33.640 33.640 32.917 0.723 19869 376 1 1 . 1 1 85 85 LYS H H 85 7.525 7.525 7.519 0.006 19869 377 1 2 . 1 1 8 8 PRO HA H 8 4.396 4.396 4.826 -0.430 19869 378 1 2 . 1 1 8 8 PRO CA C 8 63.046 63.046 62.203 0.843 19869 379 1 2 . 1 1 8 8 PRO CB C 8 32.151 32.151 33.919 -1.768 19869 380 1 2 . 1 1 9 9 LYS N N 9 121.282 121.282 119.208 2.074 19869 381 1 2 . 1 1 9 9 LYS HA H 9 4.373 4.373 4.420 -0.047 19869 382 1 2 . 1 1 9 9 LYS CA C 9 56.140 56.140 55.906 0.234 19869 383 1 2 . 1 1 9 9 LYS CB C 9 33.680 33.680 32.916 0.764 19869 384 1 2 . 1 1 9 9 LYS H H 9 8.363 8.363 8.167 0.196 19869 385 1 2 . 1 1 10 10 THR N N 10 117.787 117.787 115.676 2.111 19869 386 1 2 . 1 1 10 10 THR HA H 10 4.357 4.357 4.448 -0.091 19869 387 1 2 . 1 1 10 10 THR CA C 10 61.620 61.620 60.717 0.903 19869 388 1 2 . 1 1 10 10 THR CB C 10 70.393 70.393 70.194 0.199 19869 389 1 2 . 1 1 10 10 THR H H 10 8.675 8.675 8.350 0.325 19869 390 1 2 . 1 1 11 11 ARG N N 11 123.980 123.980 124.766 -0.786 19869 391 1 2 . 1 1 11 11 ARG HA H 11 5.043 5.043 5.225 -0.182 19869 392 1 2 . 1 1 11 11 ARG CA C 11 55.142 55.142 54.575 0.567 19869 393 1 2 . 1 1 11 11 ARG CB C 11 32.130 32.130 32.823 -0.693 19869 394 1 2 . 1 1 11 11 ARG H H 11 8.322 8.322 8.417 -0.095 19869 395 1 2 . 1 1 12 12 VAL N N 12 124.311 124.311 120.845 3.466 19869 396 1 2 . 1 1 12 12 VAL HA H 12 4.410 4.410 4.528 -0.118 19869 397 1 2 . 1 1 12 12 VAL CA C 12 60.866 60.866 60.392 0.475 19869 398 1 2 . 1 1 12 12 VAL CB C 12 35.447 35.447 36.069 -0.622 19869 399 1 2 . 1 1 12 12 VAL H H 12 8.853 8.853 9.089 -0.236 19869 400 1 2 . 1 1 13 13 SER N N 13 122.286 122.286 124.170 -1.884 19869 401 1 2 . 1 1 13 13 SER HA H 13 5.435 5.435 5.204 0.231 19869 402 1 2 . 1 1 13 13 SER CA C 13 57.199 57.199 57.994 -0.795 19869 403 1 2 . 1 1 13 13 SER CB C 13 63.535 63.535 63.397 0.138 19869 404 1 2 . 1 1 13 13 SER H H 13 8.581 8.581 8.632 -0.051 19869 405 1 2 . 1 1 14 14 VAL N N 14 119.340 119.340 120.319 -0.979 19869 406 1 2 . 1 1 14 14 VAL HA H 14 4.491 4.491 4.593 -0.102 19869 407 1 2 . 1 1 14 14 VAL CA C 14 56.271 56.271 58.839 -2.568 19869 408 1 2 . 1 1 14 14 VAL CB C 14 35.709 35.709 34.541 1.168 19869 409 1 2 . 1 1 14 14 VAL H H 14 9.154 9.154 8.951 0.203 19869 410 1 2 . 1 1 15 15 ARG N N 15 123.689 123.689 122.370 1.319 19869 411 1 2 . 1 1 15 15 ARG HA H 15 5.333 5.333 5.223 0.110 19869 412 1 2 . 1 1 15 15 ARG CA C 15 54.830 54.830 55.225 -0.395 19869 413 1 2 . 1 1 15 15 ARG CB C 15 31.780 31.780 32.182 -0.402 19869 414 1 2 . 1 1 15 15 ARG H H 15 8.467 8.467 8.480 -0.013 19869 415 1 2 . 1 1 16 16 ILE N N 16 125.117 125.117 125.248 -0.131 19869 416 1 2 . 1 1 16 16 ILE HA H 16 4.189 4.189 4.688 -0.499 19869 417 1 2 . 1 1 16 16 ILE CA C 16 61.240 61.240 60.785 0.455 19869 418 1 2 . 1 1 16 16 ILE CB C 16 41.680 41.680 41.125 0.555 19869 419 1 2 . 1 1 16 16 ILE H H 16 9.174 9.174 9.245 -0.071 19869 420 1 2 . 1 1 17 17 TYR N N 17 137.064 137.064 129.304 7.760 19869 421 1 2 . 1 1 17 17 TYR HA H 17 3.836 3.836 4.125 -0.289 19869 422 1 2 . 1 1 17 17 TYR CA C 17 59.876 59.876 59.642 0.233 19869 423 1 2 . 1 1 17 17 TYR CB C 17 39.379 39.379 37.442 1.937 19869 424 1 2 . 1 1 17 17 TYR H H 17 10.623 10.623 10.364 0.259 19869 425 1 2 . 1 1 18 18 GLY N N 18 102.991 102.991 104.944 -1.953 19869 426 1 2 . 1 1 18 18 GLY CA C 18 45.674 45.674 44.991 0.683 19869 427 1 2 . 1 1 18 18 GLY H H 18 8.604 8.604 8.656 -0.052 19869 428 1 2 . 1 1 19 19 GLN N N 19 119.104 119.104 120.739 -1.635 19869 429 1 2 . 1 1 19 19 GLN HA H 19 4.566 4.566 4.479 0.087 19869 430 1 2 . 1 1 19 19 GLN CA C 19 53.719 53.719 54.468 -0.749 19869 431 1 2 . 1 1 19 19 GLN CB C 19 32.230 32.230 30.610 1.620 19869 432 1 2 . 1 1 19 19 GLN H H 19 7.724 7.724 7.758 -0.034 19869 433 1 2 . 1 1 20 20 ASP N N 20 121.913 121.913 120.214 1.699 19869 434 1 2 . 1 1 20 20 ASP HA H 20 5.340 5.340 5.259 0.081 19869 435 1 2 . 1 1 20 20 ASP CA C 20 54.370 54.370 53.110 1.260 19869 436 1 2 . 1 1 20 20 ASP CB C 20 42.600 42.600 41.992 0.608 19869 437 1 2 . 1 1 20 20 ASP H H 20 8.217 8.217 8.279 -0.062 19869 438 1 2 . 1 1 21 21 TYR N N 21 120.801 120.801 120.755 0.046 19869 439 1 2 . 1 1 21 21 TYR HA H 21 4.538 4.538 4.809 -0.271 19869 440 1 2 . 1 1 21 21 TYR CA C 21 57.640 57.640 56.993 0.647 19869 441 1 2 . 1 1 21 21 TYR CB C 21 42.201 42.201 42.784 -0.583 19869 442 1 2 . 1 1 21 21 TYR H H 21 9.330 9.330 9.047 0.283 19869 443 1 2 . 1 1 22 22 THR N N 22 118.813 118.813 119.606 -0.793 19869 444 1 2 . 1 1 22 22 THR HA H 22 4.390 4.390 5.288 -0.898 19869 445 1 2 . 1 1 22 22 THR CA C 22 63.230 63.230 61.805 1.425 19869 446 1 2 . 1 1 22 22 THR CB C 22 69.380 69.380 69.207 0.173 19869 447 1 2 . 1 1 22 22 THR H H 22 8.888 8.888 8.514 0.374 19869 448 1 2 . 1 1 23 23 ILE N N 23 129.291 129.291 121.942 7.349 19869 449 1 2 . 1 1 23 23 ILE HA H 23 4.268 4.268 4.729 -0.461 19869 450 1 2 . 1 1 23 23 ILE CA C 23 59.121 59.121 58.975 0.146 19869 451 1 2 . 1 1 23 23 ILE CB C 23 37.060 37.060 41.269 -4.209 19869 452 1 2 . 1 1 23 23 ILE H H 23 9.212 9.212 9.090 0.122 19869 453 1 2 . 1 1 24 24 VAL N N 24 127.112 127.112 121.163 5.949 19869 454 1 2 . 1 1 24 24 VAL HA H 24 5.073 5.073 4.508 0.565 19869 455 1 2 . 1 1 24 24 VAL CA C 24 60.246 60.246 62.533 -2.287 19869 456 1 2 . 1 1 24 24 VAL CB C 24 33.415 33.415 31.537 1.878 19869 457 1 2 . 1 1 24 24 VAL H H 24 8.345 8.345 8.491 -0.146 19869 458 1 2 . 1 1 25 25 GLY N N 25 113.745 113.745 117.067 -3.322 19869 459 1 2 . 1 1 25 25 GLY CA C 25 45.920 45.920 44.515 1.405 19869 460 1 2 . 1 1 25 25 GLY H H 25 8.540 8.540 8.011 0.529 19869 461 1 2 . 1 1 26 26 ALA N N 26 123.321 123.321 123.251 0.070 19869 462 1 2 . 1 1 26 26 ALA HA H 26 4.644 4.644 4.447 0.197 19869 463 1 2 . 1 1 26 26 ALA CA C 26 51.639 51.639 52.569 -0.930 19869 464 1 2 . 1 1 26 26 ALA CB C 26 19.725 19.725 18.723 1.002 19869 465 1 2 . 1 1 26 26 ALA H H 26 8.593 8.593 8.310 0.283 19869 466 1 2 . 1 1 27 27 GLU N N 27 118.135 118.135 120.240 -2.105 19869 467 1 2 . 1 1 27 27 GLU HA H 27 4.302 4.302 4.414 -0.112 19869 468 1 2 . 1 1 27 27 GLU CA C 27 55.670 55.670 57.667 -1.997 19869 469 1 2 . 1 1 27 27 GLU CB C 27 30.724 30.724 30.258 0.466 19869 470 1 2 . 1 1 27 27 GLU H H 27 8.120 8.120 8.484 -0.364 19869 471 1 2 . 1 1 28 28 SER N N 28 115.651 115.651 113.224 2.427 19869 472 1 2 . 1 1 28 28 SER HA H 28 4.700 4.700 4.732 -0.032 19869 473 1 2 . 1 1 28 28 SER CA C 28 56.044 56.044 56.555 -0.511 19869 474 1 2 . 1 1 28 28 SER H H 28 8.723 8.723 7.784 0.939 19869 475 1 2 . 1 1 29 29 PRO HA H 29 4.111 4.111 4.470 -0.359 19869 476 1 2 . 1 1 29 29 PRO CA C 29 65.792 65.792 64.590 1.202 19869 477 1 2 . 1 1 29 29 PRO CB C 29 31.750 31.750 31.785 -0.035 19869 478 1 2 . 1 1 30 30 ALA N N 30 117.252 117.252 121.609 -4.357 19869 479 1 2 . 1 1 30 30 ALA HA H 30 4.028 4.028 4.265 -0.237 19869 480 1 2 . 1 1 30 30 ALA CA C 30 55.258 55.258 54.404 0.854 19869 481 1 2 . 1 1 30 30 ALA CB C 30 18.240 18.240 18.460 -0.220 19869 482 1 2 . 1 1 30 30 ALA H H 30 7.994 7.994 8.291 -0.297 19869 483 1 2 . 1 1 31 31 HIS N N 31 119.161 119.161 119.664 -0.503 19869 484 1 2 . 1 1 31 31 HIS HA H 31 4.278 4.278 4.280 -0.002 19869 485 1 2 . 1 1 31 31 HIS CA C 31 59.697 59.697 59.395 0.302 19869 486 1 2 . 1 1 31 31 HIS CB C 31 30.320 30.320 30.121 0.199 19869 487 1 2 . 1 1 31 31 HIS H H 31 7.902 7.902 7.483 0.419 19869 488 1 2 . 1 1 32 32 ILE N N 32 118.000 118.000 115.481 2.519 19869 489 1 2 . 1 1 32 32 ILE HA H 32 3.478 3.478 3.925 -0.447 19869 490 1 2 . 1 1 32 32 ILE CA C 32 63.480 63.480 63.440 0.041 19869 491 1 2 . 1 1 32 32 ILE CB C 32 36.290 36.290 37.596 -1.306 19869 492 1 2 . 1 1 32 32 ILE H H 32 8.092 8.092 7.653 0.439 19869 493 1 2 . 1 1 33 33 ARG N N 33 118.612 118.612 118.966 -0.354 19869 494 1 2 . 1 1 33 33 ARG HA H 33 3.911 3.911 4.360 -0.449 19869 495 1 2 . 1 1 33 33 ARG CA C 33 60.741 60.741 57.741 3.000 19869 496 1 2 . 1 1 33 33 ARG CB C 33 29.839 29.839 30.948 -1.109 19869 497 1 2 . 1 1 33 33 ARG H H 33 8.436 8.436 7.637 0.799 19869 498 1 2 . 1 1 34 34 LEU N N 34 122.935 122.935 116.874 6.061 19869 499 1 2 . 1 1 34 34 LEU HA H 34 4.154 4.154 4.816 -0.662 19869 500 1 2 . 1 1 34 34 LEU CA C 34 57.400 57.400 57.078 0.322 19869 501 1 2 . 1 1 34 34 LEU CB C 34 41.998 41.998 42.535 -0.537 19869 502 1 2 . 1 1 34 34 LEU H H 34 7.565 7.565 7.727 -0.162 19869 503 1 2 . 1 1 35 35 VAL N N 35 121.579 121.579 118.001 3.578 19869 504 1 2 . 1 1 35 35 VAL HA H 35 3.333 3.333 3.731 -0.398 19869 505 1 2 . 1 1 35 35 VAL CA C 35 66.440 66.440 65.373 1.067 19869 506 1 2 . 1 1 35 35 VAL CB C 35 31.149 31.149 30.626 0.523 19869 507 1 2 . 1 1 35 35 VAL H H 35 8.414 8.414 7.826 0.588 19869 508 1 2 . 1 1 36 36 ALA N N 36 121.368 121.368 122.806 -1.438 19869 509 1 2 . 1 1 36 36 ALA HA H 36 3.794 3.794 4.106 -0.312 19869 510 1 2 . 1 1 36 36 ALA CA C 36 55.555 55.555 55.164 0.391 19869 511 1 2 . 1 1 36 36 ALA CB C 36 18.310 18.310 17.893 0.417 19869 512 1 2 . 1 1 36 36 ALA H H 36 8.791 8.791 8.330 0.461 19869 513 1 2 . 1 1 37 37 ALA N N 37 119.373 119.373 121.167 -1.794 19869 514 1 2 . 1 1 37 37 ALA HA H 37 4.305 4.305 4.080 0.225 19869 515 1 2 . 1 1 37 37 ALA CA C 37 54.825 54.825 54.690 0.135 19869 516 1 2 . 1 1 37 37 ALA CB C 37 18.020 18.020 18.414 -0.394 19869 517 1 2 . 1 1 37 37 ALA H H 37 7.648 7.648 8.294 -0.646 19869 518 1 2 . 1 1 38 38 PHE N N 38 120.906 120.906 120.099 0.807 19869 519 1 2 . 1 1 38 38 PHE HA H 38 4.449 4.449 4.213 0.236 19869 520 1 2 . 1 1 38 38 PHE CA C 38 61.148 61.148 62.083 -0.935 19869 521 1 2 . 1 1 38 38 PHE CB C 38 39.350 39.350 39.462 -0.112 19869 522 1 2 . 1 1 38 38 PHE H H 38 7.923 7.923 7.930 -0.007 19869 523 1 2 . 1 1 39 39 VAL N N 39 119.731 119.731 118.650 1.081 19869 524 1 2 . 1 1 39 39 VAL HA H 39 3.219 3.219 3.680 -0.461 19869 525 1 2 . 1 1 39 39 VAL CA C 39 67.520 67.520 66.811 0.709 19869 526 1 2 . 1 1 39 39 VAL CB C 39 32.059 32.059 31.568 0.491 19869 527 1 2 . 1 1 39 39 VAL H H 39 8.482 8.482 7.875 0.607 19869 528 1 2 . 1 1 40 40 ASP N N 40 120.200 120.200 120.570 -0.370 19869 529 1 2 . 1 1 40 40 ASP HA H 40 4.449 4.449 4.449 -0.000 19869 530 1 2 . 1 1 40 40 ASP CA C 40 58.600 58.600 58.140 0.460 19869 531 1 2 . 1 1 40 40 ASP CB C 40 43.300 43.300 40.803 2.497 19869 532 1 2 . 1 1 40 40 ASP H H 40 8.851 8.851 8.411 0.440 19869 533 1 2 . 1 1 41 41 ASP N N 41 120.967 120.967 120.047 0.920 19869 534 1 2 . 1 1 41 41 ASP HA H 41 4.532 4.532 4.492 0.040 19869 535 1 2 . 1 1 41 41 ASP CA C 41 57.860 57.860 56.888 0.973 19869 536 1 2 . 1 1 41 41 ASP CB C 41 40.560 40.560 40.546 0.014 19869 537 1 2 . 1 1 41 41 ASP H H 41 8.743 8.743 8.020 0.723 19869 538 1 2 . 1 1 42 42 LYS N N 42 120.600 120.600 120.295 0.305 19869 539 1 2 . 1 1 42 42 LYS HA H 42 3.967 3.967 4.107 -0.140 19869 540 1 2 . 1 1 42 42 LYS CA C 42 57.880 57.880 59.322 -1.442 19869 541 1 2 . 1 1 42 42 LYS CB C 42 31.440 31.440 32.521 -1.081 19869 542 1 2 . 1 1 42 42 LYS H H 42 7.990 7.990 7.556 0.434 19869 543 1 2 . 1 1 43 43 MET N N 43 119.600 119.600 116.980 2.620 19869 544 1 2 . 1 1 43 43 MET HA H 43 3.957 3.957 4.298 -0.341 19869 545 1 2 . 1 1 43 43 MET CA C 43 55.600 55.600 59.070 -3.470 19869 546 1 2 . 1 1 43 43 MET CB C 43 33.950 33.950 32.483 1.467 19869 547 1 2 . 1 1 43 43 MET H H 43 8.844 8.844 8.558 0.286 19869 548 1 2 . 1 1 44 44 HIS N N 44 115.981 115.981 118.154 -2.173 19869 549 1 2 . 1 1 44 44 HIS HA H 44 4.408 4.408 4.401 0.007 19869 550 1 2 . 1 1 44 44 HIS CA C 44 61.250 61.250 60.385 0.865 19869 551 1 2 . 1 1 44 44 HIS CB C 44 28.045 28.045 30.125 -2.080 19869 552 1 2 . 1 1 44 44 HIS H H 44 8.296 8.296 7.880 0.416 19869 553 1 2 . 1 1 45 45 GLU N N 45 122.501 122.501 119.757 2.744 19869 554 1 2 . 1 1 45 45 GLU HA H 45 4.034 4.034 4.048 -0.014 19869 555 1 2 . 1 1 45 45 GLU CA C 45 59.580 59.580 58.509 1.071 19869 556 1 2 . 1 1 45 45 GLU CB C 45 29.533 29.533 29.404 0.129 19869 557 1 2 . 1 1 45 45 GLU H H 45 8.399 8.399 8.107 0.292 19869 558 1 2 . 1 1 46 46 PHE N N 46 118.451 118.451 118.278 0.173 19869 559 1 2 . 1 1 46 46 PHE HA H 46 4.183 4.183 4.471 -0.288 19869 560 1 2 . 1 1 46 46 PHE CA C 46 61.689 61.689 59.670 2.019 19869 561 1 2 . 1 1 46 46 PHE CB C 46 38.979 38.979 38.874 0.105 19869 562 1 2 . 1 1 46 46 PHE H H 46 8.320 8.320 8.150 0.170 19869 563 1 2 . 1 1 47 47 SER N N 47 114.878 114.878 114.085 0.793 19869 564 1 2 . 1 1 47 47 SER HA H 47 4.111 4.111 4.170 -0.059 19869 565 1 2 . 1 1 47 47 SER CA C 47 60.281 60.281 61.814 -1.533 19869 566 1 2 . 1 1 47 47 SER CB C 47 63.321 63.321 63.283 0.038 19869 567 1 2 . 1 1 47 47 SER H H 47 8.278 8.278 7.765 0.513 19869 568 1 2 . 1 1 48 48 GLU N N 48 118.579 118.579 118.096 0.483 19869 569 1 2 . 1 1 48 48 GLU HA H 48 4.059 4.059 4.233 -0.174 19869 570 1 2 . 1 1 48 48 GLU CA C 48 58.641 58.641 58.174 0.467 19869 571 1 2 . 1 1 48 48 GLU CB C 48 29.720 29.720 29.152 0.568 19869 572 1 2 . 1 1 48 48 GLU H H 48 7.651 7.651 7.980 -0.329 19869 573 1 2 . 1 1 49 49 LYS N N 49 116.048 116.048 117.807 -1.759 19869 574 1 2 . 1 1 49 49 LYS HA H 49 4.211 4.211 4.225 -0.014 19869 575 1 2 . 1 1 49 49 LYS CA C 49 57.580 57.580 56.633 0.947 19869 576 1 2 . 1 1 49 49 LYS CB C 49 33.450 33.450 32.813 0.637 19869 577 1 2 . 1 1 49 49 LYS H H 49 7.281 7.281 7.467 -0.186 19869 578 1 2 . 1 1 50 50 GLN N N 50 117.953 117.953 115.756 2.197 19869 579 1 2 . 1 1 50 50 GLN HA H 50 4.249 4.249 4.172 0.077 19869 580 1 2 . 1 1 50 50 GLN CA C 50 55.610 55.610 55.894 -0.284 19869 581 1 2 . 1 1 50 50 GLN CB C 50 30.050 30.050 26.895 3.155 19869 582 1 2 . 1 1 50 50 GLN H H 50 7.930 7.930 7.932 -0.002 19869 583 1 2 . 1 1 51 51 PRO HA H 51 4.597 4.597 4.367 0.230 19869 584 1 2 . 1 1 51 51 PRO CA C 51 63.600 63.600 64.640 -1.040 19869 585 1 2 . 1 1 51 51 PRO CB C 51 32.522 32.522 31.935 0.587 19869 586 1 2 . 1 1 52 52 MET N N 52 115.230 115.230 116.547 -1.317 19869 587 1 2 . 1 1 52 52 MET HA H 52 4.513 4.513 4.643 -0.130 19869 588 1 2 . 1 1 52 52 MET CA C 52 55.505 55.505 54.364 1.141 19869 589 1 2 . 1 1 52 52 MET CB C 52 30.920 30.920 32.965 -2.045 19869 590 1 2 . 1 1 52 52 MET H H 52 8.558 8.558 8.063 0.495 19869 591 1 2 . 1 1 53 53 LEU N N 53 120.540 120.540 116.949 3.591 19869 592 1 2 . 1 1 53 53 LEU HA H 53 4.252 4.252 4.052 0.200 19869 593 1 2 . 1 1 53 53 LEU CA C 53 55.690 55.690 55.443 0.247 19869 594 1 2 . 1 1 53 53 LEU CB C 53 42.728 42.728 41.250 1.478 19869 595 1 2 . 1 1 53 53 LEU H H 53 7.557 7.557 7.994 -0.437 19869 596 1 2 . 1 1 54 54 ASP N N 54 121.294 121.294 117.326 3.968 19869 597 1 2 . 1 1 54 54 ASP HA H 54 4.640 4.640 4.794 -0.154 19869 598 1 2 . 1 1 54 54 ASP CA C 54 52.280 52.280 52.951 -0.671 19869 599 1 2 . 1 1 54 54 ASP CB C 54 41.330 41.330 43.146 -1.816 19869 600 1 2 . 1 1 54 54 ASP H H 54 7.941 7.941 7.728 0.213 19869 601 1 2 . 1 1 55 55 VAL N N 55 118.701 118.701 122.104 -3.403 19869 602 1 2 . 1 1 55 55 VAL HA H 55 4.277 4.277 3.965 0.312 19869 603 1 2 . 1 1 55 55 VAL CA C 55 62.510 62.510 66.059 -3.549 19869 604 1 2 . 1 1 55 55 VAL CB C 55 29.900 29.900 29.876 0.024 19869 605 1 2 . 1 1 55 55 VAL H H 55 8.444 8.444 8.332 0.112 19869 606 1 2 . 1 1 56 56 PRO HA H 56 3.981 3.981 4.202 -0.221 19869 607 1 2 . 1 1 56 56 PRO CA C 56 66.840 66.840 65.453 1.387 19869 608 1 2 . 1 1 56 56 PRO CB C 56 30.875 30.875 31.058 -0.183 19869 609 1 2 . 1 1 57 57 LYS N N 57 114.335 114.335 115.508 -1.173 19869 610 1 2 . 1 1 57 57 LYS HA H 57 4.213 4.213 4.308 -0.095 19869 611 1 2 . 1 1 57 57 LYS CA C 57 60.027 60.027 57.032 2.994 19869 612 1 2 . 1 1 57 57 LYS CB C 57 33.700 33.700 31.370 2.330 19869 613 1 2 . 1 1 57 57 LYS H H 57 7.224 7.224 8.373 -1.149 19869 614 1 2 . 1 1 58 58 LEU N N 58 119.010 119.010 121.116 -2.106 19869 615 1 2 . 1 1 58 58 LEU HA H 58 3.714 3.714 4.236 -0.522 19869 616 1 2 . 1 1 58 58 LEU CA C 58 57.900 57.900 56.741 1.159 19869 617 1 2 . 1 1 58 58 LEU CB C 58 42.966 42.966 42.033 0.933 19869 618 1 2 . 1 1 58 58 LEU H H 58 8.369 8.369 7.885 0.484 19869 619 1 2 . 1 1 59 59 ALA N N 59 122.559 122.559 122.197 0.362 19869 620 1 2 . 1 1 59 59 ALA HA H 59 3.720 3.720 4.006 -0.286 19869 621 1 2 . 1 1 59 59 ALA CA C 59 55.510 55.510 55.186 0.324 19869 622 1 2 . 1 1 59 59 ALA CB C 59 19.020 19.020 18.178 0.842 19869 623 1 2 . 1 1 59 59 ALA H H 59 8.686 8.686 7.667 1.019 19869 624 1 2 . 1 1 60 60 VAL N N 60 118.664 118.664 115.715 2.949 19869 625 1 2 . 1 1 60 60 VAL HA H 60 3.251 3.251 3.670 -0.419 19869 626 1 2 . 1 1 60 60 VAL CA C 60 67.397 67.397 65.625 1.772 19869 627 1 2 . 1 1 60 60 VAL CB C 60 31.340 31.340 31.247 0.093 19869 628 1 2 . 1 1 60 60 VAL H H 60 7.777 7.777 7.349 0.428 19869 629 1 2 . 1 1 61 61 LEU N N 61 118.415 118.415 120.228 -1.813 19869 630 1 2 . 1 1 61 61 LEU HA H 61 3.553 3.553 3.947 -0.394 19869 631 1 2 . 1 1 61 61 LEU CA C 61 58.150 58.150 58.175 -0.025 19869 632 1 2 . 1 1 61 61 LEU CB C 61 40.340 40.340 41.511 -1.171 19869 633 1 2 . 1 1 61 61 LEU H H 61 8.328 8.328 7.463 0.865 19869 634 1 2 . 1 1 62 62 THR N N 62 117.416 117.416 116.016 1.400 19869 635 1 2 . 1 1 62 62 THR HA H 62 4.130 4.130 3.700 0.430 19869 636 1 2 . 1 1 62 62 THR CA C 62 67.220 67.220 67.245 -0.025 19869 637 1 2 . 1 1 62 62 THR CB C 62 68.364 68.364 68.291 0.073 19869 638 1 2 . 1 1 62 62 THR H H 62 7.787 7.787 7.767 0.020 19869 639 1 2 . 1 1 63 63 ALA N N 63 124.319 124.319 124.025 0.294 19869 640 1 2 . 1 1 63 63 ALA HA H 63 3.746 3.746 4.125 -0.379 19869 641 1 2 . 1 1 63 63 ALA CA C 63 56.243 56.243 55.169 1.074 19869 642 1 2 . 1 1 63 63 ALA CB C 63 17.121 17.121 18.092 -0.971 19869 643 1 2 . 1 1 63 63 ALA H H 63 8.175 8.175 8.069 0.106 19869 644 1 2 . 1 1 64 64 VAL N N 64 116.756 116.756 118.557 -1.801 19869 645 1 2 . 1 1 64 64 VAL HA H 64 3.324 3.324 3.585 -0.261 19869 646 1 2 . 1 1 64 64 VAL CA C 64 66.543 66.543 65.605 0.938 19869 647 1 2 . 1 1 64 64 VAL CB C 64 31.340 31.340 31.738 -0.398 19869 648 1 2 . 1 1 64 64 VAL H H 64 8.422 8.422 7.731 0.691 19869 649 1 2 . 1 1 65 65 GLN N N 65 120.091 120.091 119.908 0.183 19869 650 1 2 . 1 1 65 65 GLN HA H 65 4.015 4.015 4.047 -0.032 19869 651 1 2 . 1 1 65 65 GLN CA C 65 59.290 59.290 58.682 0.608 19869 652 1 2 . 1 1 65 65 GLN CB C 65 28.450 28.450 28.463 -0.013 19869 653 1 2 . 1 1 65 65 GLN H H 65 7.924 7.924 7.673 0.251 19869 654 1 2 . 1 1 66 66 ILE N N 66 118.358 118.358 119.913 -1.555 19869 655 1 2 . 1 1 66 66 ILE HA H 66 3.526 3.526 3.858 -0.332 19869 656 1 2 . 1 1 66 66 ILE CA C 66 65.305 65.305 64.980 0.325 19869 657 1 2 . 1 1 66 66 ILE H H 66 8.441 8.441 8.104 0.337 19869 658 1 2 . 1 1 67 67 ALA N N 67 121.518 121.518 122.084 -0.566 19869 659 1 2 . 1 1 67 67 ALA HA H 67 4.025 4.025 3.981 0.044 19869 660 1 2 . 1 1 67 67 ALA CA C 67 55.501 55.501 55.636 -0.136 19869 661 1 2 . 1 1 67 67 ALA CB C 67 19.668 19.668 18.213 1.455 19869 662 1 2 . 1 1 67 67 ALA H H 67 8.947 8.947 7.697 1.250 19869 663 1 2 . 1 1 68 68 SER N N 68 112.523 112.523 114.402 -1.879 19869 664 1 2 . 1 1 68 68 SER HA H 68 4.174 4.174 4.101 0.073 19869 665 1 2 . 1 1 68 68 SER CA C 68 61.429 61.429 62.215 -0.786 19869 666 1 2 . 1 1 68 68 SER CB C 68 63.011 63.011 62.730 0.281 19869 667 1 2 . 1 1 68 68 SER H H 68 8.492 8.492 7.993 0.499 19869 668 1 2 . 1 1 69 69 GLU N N 69 117.397 117.397 121.355 -3.958 19869 669 1 2 . 1 1 69 69 GLU HA H 69 3.998 3.998 4.060 -0.062 19869 670 1 2 . 1 1 69 69 GLU CA C 69 59.181 59.181 58.898 0.283 19869 671 1 2 . 1 1 69 69 GLU CB C 69 28.760 28.760 29.703 -0.943 19869 672 1 2 . 1 1 69 69 GLU H H 69 7.579 7.579 8.175 -0.596 19869 673 1 2 . 1 1 70 70 TYR N N 70 120.853 120.853 115.741 5.112 19869 674 1 2 . 1 1 70 70 TYR HA H 70 4.352 4.352 4.500 -0.148 19869 675 1 2 . 1 1 70 70 TYR CA C 70 60.530 60.530 59.970 0.560 19869 676 1 2 . 1 1 70 70 TYR CB C 70 38.480 38.480 39.505 -1.025 19869 677 1 2 . 1 1 70 70 TYR H H 70 8.635 8.635 7.669 0.966 19869 678 1 2 . 1 1 71 71 LEU N N 71 119.400 119.400 121.626 -2.226 19869 679 1 2 . 1 1 71 71 LEU HA H 71 3.554 3.554 4.032 -0.478 19869 680 1 2 . 1 1 71 71 LEU CA C 71 58.368 58.368 57.573 0.795 19869 681 1 2 . 1 1 71 71 LEU CB C 71 40.564 40.564 41.420 -0.856 19869 682 1 2 . 1 1 71 71 LEU H H 71 8.836 8.836 8.416 0.420 19869 683 1 2 . 1 1 72 72 LYS N N 72 119.127 119.127 118.715 0.412 19869 684 1 2 . 1 1 72 72 LYS HA H 72 4.095 4.095 4.106 -0.011 19869 685 1 2 . 1 1 72 72 LYS CA C 72 59.780 59.780 59.124 0.656 19869 686 1 2 . 1 1 72 72 LYS CB C 72 32.640 32.640 31.960 0.680 19869 687 1 2 . 1 1 72 72 LYS H H 72 7.957 7.957 7.537 0.420 19869 688 1 2 . 1 1 73 73 LEU N N 73 122.487 122.487 121.443 1.044 19869 689 1 2 . 1 1 73 73 LEU HA H 73 4.127 4.127 4.201 -0.074 19869 690 1 2 . 1 1 73 73 LEU CA C 73 57.340 57.340 57.376 -0.036 19869 691 1 2 . 1 1 73 73 LEU CB C 73 41.020 41.020 42.003 -0.983 19869 692 1 2 . 1 1 73 73 LEU H H 73 8.033 8.033 7.265 0.768 19869 693 1 2 . 1 1 74 74 LYS N N 74 120.309 120.309 118.195 2.114 19869 694 1 2 . 1 1 74 74 LYS HA H 74 3.759 3.759 4.158 -0.399 19869 695 1 2 . 1 1 74 74 LYS CA C 74 60.700 60.700 58.943 1.757 19869 696 1 2 . 1 1 74 74 LYS CB C 74 32.140 32.140 31.827 0.313 19869 697 1 2 . 1 1 74 74 LYS H H 74 8.750 8.750 7.620 1.130 19869 698 1 2 . 1 1 75 75 GLU N N 75 118.296 118.296 121.075 -2.779 19869 699 1 2 . 1 1 75 75 GLU HA H 75 4.098 4.098 4.068 0.030 19869 700 1 2 . 1 1 75 75 GLU CA C 75 59.330 59.330 59.239 0.091 19869 701 1 2 . 1 1 75 75 GLU CB C 75 29.500 29.500 29.430 0.070 19869 702 1 2 . 1 1 75 75 GLU H H 75 7.274 7.274 7.831 -0.557 19869 703 1 2 . 1 1 76 76 GLU N N 76 120.788 120.788 119.128 1.660 19869 704 1 2 . 1 1 76 76 GLU HA H 76 4.152 4.152 4.007 0.145 19869 705 1 2 . 1 1 76 76 GLU CA C 76 59.082 59.082 58.846 0.236 19869 706 1 2 . 1 1 76 76 GLU CB C 76 29.235 29.235 29.070 0.165 19869 707 1 2 . 1 1 76 76 GLU H H 76 7.756 7.756 7.909 -0.153 19869 708 1 2 . 1 1 77 77 TYR N N 77 121.399 121.399 122.318 -0.919 19869 709 1 2 . 1 1 77 77 TYR HA H 77 4.210 4.210 4.045 0.165 19869 710 1 2 . 1 1 77 77 TYR CA C 77 61.704 61.704 60.816 0.887 19869 711 1 2 . 1 1 77 77 TYR CB C 77 38.889 38.889 38.377 0.512 19869 712 1 2 . 1 1 77 77 TYR H H 77 9.401 9.401 7.557 1.844 19869 713 1 2 . 1 1 78 78 GLN N N 78 118.068 118.068 117.307 0.761 19869 714 1 2 . 1 1 78 78 GLN HA H 78 3.784 3.784 3.639 0.145 19869 715 1 2 . 1 1 78 78 GLN CA C 78 58.915 58.915 58.462 0.453 19869 716 1 2 . 1 1 78 78 GLN CB C 78 27.880 27.880 28.208 -0.328 19869 717 1 2 . 1 1 78 78 GLN H H 78 8.169 8.169 7.860 0.309 19869 718 1 2 . 1 1 79 79 ARG N N 79 118.446 118.446 120.574 -2.128 19869 719 1 2 . 1 1 79 79 ARG HA H 79 4.045 4.045 4.301 -0.256 19869 720 1 2 . 1 1 79 79 ARG CA C 79 59.310 59.310 58.179 1.131 19869 721 1 2 . 1 1 79 79 ARG CB C 79 30.220 30.220 29.680 0.540 19869 722 1 2 . 1 1 79 79 ARG H H 79 7.814 7.814 7.740 0.074 19869 723 1 2 . 1 1 80 80 LEU N N 80 121.039 121.039 121.094 -0.055 19869 724 1 2 . 1 1 80 80 LEU HA H 80 4.130 4.130 4.100 0.030 19869 725 1 2 . 1 1 80 80 LEU CA C 80 57.689 57.689 57.917 -0.228 19869 726 1 2 . 1 1 80 80 LEU CB C 80 41.670 41.670 41.966 -0.296 19869 727 1 2 . 1 1 80 80 LEU H H 80 7.989 7.989 8.232 -0.243 19869 728 1 2 . 1 1 81 81 ARG N N 81 117.498 117.498 118.043 -0.545 19869 729 1 2 . 1 1 81 81 ARG HA H 81 3.717 3.717 3.870 -0.153 19869 730 1 2 . 1 1 81 81 ARG CA C 81 59.030 59.030 59.794 -0.764 19869 731 1 2 . 1 1 81 81 ARG CB C 81 29.500 29.500 29.902 -0.403 19869 732 1 2 . 1 1 81 81 ARG H H 81 8.241 8.241 7.836 0.405 19869 733 1 2 . 1 1 82 82 GLU N N 82 117.300 117.300 118.950 -1.650 19869 734 1 2 . 1 1 82 82 GLU HA H 82 4.060 4.060 3.967 0.093 19869 735 1 2 . 1 1 82 82 GLU CA C 82 58.205 58.205 59.101 -0.896 19869 736 1 2 . 1 1 82 82 GLU CB C 82 29.539 29.539 28.725 0.814 19869 737 1 2 . 1 1 82 82 GLU H H 82 7.671 7.671 8.268 -0.597 19869 738 1 2 . 1 1 83 83 GLN N N 83 117.205 117.205 119.016 -1.811 19869 739 1 2 . 1 1 83 83 GLN HA H 83 4.192 4.192 4.120 0.072 19869 740 1 2 . 1 1 83 83 GLN CA C 83 56.940 56.940 58.159 -1.219 19869 741 1 2 . 1 1 83 83 GLN CB C 83 29.110 29.110 28.834 0.276 19869 742 1 2 . 1 1 83 83 GLN H H 83 7.745 7.745 7.750 -0.005 19869 743 1 2 . 1 1 84 84 LEU N N 84 120.465 120.465 119.517 0.948 19869 744 1 2 . 1 1 84 84 LEU HA H 84 4.301 4.301 4.327 -0.026 19869 745 1 2 . 1 1 84 84 LEU CA C 84 55.180 55.180 56.682 -1.502 19869 746 1 2 . 1 1 84 84 LEU CB C 84 42.190 42.190 42.935 -0.745 19869 747 1 2 . 1 1 84 84 LEU H H 84 7.500 7.500 7.401 0.099 19869 748 1 2 . 1 1 85 85 LYS N N 85 126.524 126.524 119.081 7.443 19869 749 1 2 . 1 1 85 85 LYS HA H 85 4.063 4.063 4.090 -0.027 19869 750 1 2 . 1 1 85 85 LYS CA C 85 57.499 57.499 58.119 -0.620 19869 751 1 2 . 1 1 85 85 LYS CB C 85 33.640 33.640 32.898 0.742 19869 752 1 2 . 1 1 85 85 LYS H H 85 7.525 7.525 8.229 -0.704 19869 753 1 3 . 1 1 8 8 PRO HA H 8 4.396 4.396 4.728 -0.332 19869 754 1 3 . 1 1 8 8 PRO CA C 8 63.046 63.046 61.950 1.096 19869 755 1 3 . 1 1 8 8 PRO CB C 8 32.151 32.151 33.202 -1.051 19869 756 1 3 . 1 1 9 9 LYS N N 9 121.282 121.282 120.352 0.930 19869 757 1 3 . 1 1 9 9 LYS HA H 9 4.373 4.373 4.268 0.105 19869 758 1 3 . 1 1 9 9 LYS CA C 9 56.140 56.140 56.665 -0.525 19869 759 1 3 . 1 1 9 9 LYS CB C 9 33.680 33.680 31.524 2.156 19869 760 1 3 . 1 1 9 9 LYS H H 9 8.363 8.363 8.417 -0.054 19869 761 1 3 . 1 1 10 10 THR N N 10 117.787 117.787 118.144 -0.357 19869 762 1 3 . 1 1 10 10 THR HA H 10 4.357 4.357 4.419 -0.062 19869 763 1 3 . 1 1 10 10 THR CA C 10 61.620 61.620 61.148 0.471 19869 764 1 3 . 1 1 10 10 THR CB C 10 70.393 70.393 69.790 0.603 19869 765 1 3 . 1 1 10 10 THR H H 10 8.675 8.675 8.129 0.546 19869 766 1 3 . 1 1 11 11 ARG N N 11 123.980 123.980 120.873 3.107 19869 767 1 3 . 1 1 11 11 ARG HA H 11 5.043 5.043 5.177 -0.134 19869 768 1 3 . 1 1 11 11 ARG CA C 11 55.142 55.142 54.693 0.449 19869 769 1 3 . 1 1 11 11 ARG CB C 11 32.130 32.130 33.008 -0.878 19869 770 1 3 . 1 1 11 11 ARG H H 11 8.322 8.322 8.373 -0.051 19869 771 1 3 . 1 1 12 12 VAL N N 12 124.311 124.311 120.602 3.709 19869 772 1 3 . 1 1 12 12 VAL HA H 12 4.410 4.410 4.496 -0.086 19869 773 1 3 . 1 1 12 12 VAL CA C 12 60.866 60.866 59.980 0.886 19869 774 1 3 . 1 1 12 12 VAL CB C 12 35.447 35.447 36.114 -0.667 19869 775 1 3 . 1 1 12 12 VAL H H 12 8.853 8.853 9.040 -0.187 19869 776 1 3 . 1 1 13 13 SER N N 13 122.286 122.286 122.918 -0.632 19869 777 1 3 . 1 1 13 13 SER HA H 13 5.435 5.435 5.586 -0.151 19869 778 1 3 . 1 1 13 13 SER CA C 13 57.199 57.199 57.760 -0.561 19869 779 1 3 . 1 1 13 13 SER CB C 13 63.535 63.535 64.037 -0.502 19869 780 1 3 . 1 1 13 13 SER H H 13 8.581 8.581 8.587 -0.006 19869 781 1 3 . 1 1 14 14 VAL N N 14 119.340 119.340 118.448 0.892 19869 782 1 3 . 1 1 14 14 VAL HA H 14 4.491 4.491 4.570 -0.079 19869 783 1 3 . 1 1 14 14 VAL CA C 14 56.271 56.271 59.283 -3.012 19869 784 1 3 . 1 1 14 14 VAL CB C 14 35.709 35.709 35.211 0.498 19869 785 1 3 . 1 1 14 14 VAL H H 14 9.154 9.154 9.205 -0.051 19869 786 1 3 . 1 1 15 15 ARG N N 15 123.689 123.689 123.320 0.369 19869 787 1 3 . 1 1 15 15 ARG HA H 15 5.333 5.333 5.081 0.252 19869 788 1 3 . 1 1 15 15 ARG CA C 15 54.830 54.830 55.378 -0.548 19869 789 1 3 . 1 1 15 15 ARG CB C 15 31.780 31.780 31.338 0.442 19869 790 1 3 . 1 1 15 15 ARG H H 15 8.467 8.467 8.530 -0.063 19869 791 1 3 . 1 1 16 16 ILE N N 16 125.117 125.117 126.169 -1.052 19869 792 1 3 . 1 1 16 16 ILE HA H 16 4.189 4.189 4.734 -0.545 19869 793 1 3 . 1 1 16 16 ILE CA C 16 61.240 61.240 60.508 0.732 19869 794 1 3 . 1 1 16 16 ILE CB C 16 41.680 41.680 40.623 1.057 19869 795 1 3 . 1 1 16 16 ILE H H 16 9.174 9.174 9.200 -0.026 19869 796 1 3 . 1 1 17 17 TYR N N 17 137.064 137.064 129.331 7.733 19869 797 1 3 . 1 1 17 17 TYR HA H 17 3.836 3.836 4.133 -0.297 19869 798 1 3 . 1 1 17 17 TYR CA C 17 59.876 59.876 59.440 0.437 19869 799 1 3 . 1 1 17 17 TYR CB C 17 39.379 39.379 37.160 2.219 19869 800 1 3 . 1 1 17 17 TYR H H 17 10.623 10.623 10.234 0.389 19869 801 1 3 . 1 1 18 18 GLY N N 18 102.991 102.991 105.214 -2.223 19869 802 1 3 . 1 1 18 18 GLY CA C 18 45.674 45.674 44.941 0.733 19869 803 1 3 . 1 1 18 18 GLY H H 18 8.604 8.604 8.539 0.065 19869 804 1 3 . 1 1 19 19 GLN N N 19 119.104 119.104 121.071 -1.967 19869 805 1 3 . 1 1 19 19 GLN HA H 19 4.566 4.566 4.566 0.000 19869 806 1 3 . 1 1 19 19 GLN CA C 19 53.719 53.719 53.718 0.001 19869 807 1 3 . 1 1 19 19 GLN CB C 19 32.230 32.230 30.816 1.414 19869 808 1 3 . 1 1 19 19 GLN H H 19 7.724 7.724 7.774 -0.050 19869 809 1 3 . 1 1 20 20 ASP N N 20 121.913 121.913 121.286 0.627 19869 810 1 3 . 1 1 20 20 ASP HA H 20 5.340 5.340 5.186 0.154 19869 811 1 3 . 1 1 20 20 ASP CA C 20 54.370 54.370 53.122 1.248 19869 812 1 3 . 1 1 20 20 ASP CB C 20 42.600 42.600 41.821 0.779 19869 813 1 3 . 1 1 20 20 ASP H H 20 8.217 8.217 8.186 0.031 19869 814 1 3 . 1 1 21 21 TYR N N 21 120.801 120.801 121.202 -0.401 19869 815 1 3 . 1 1 21 21 TYR HA H 21 4.538 4.538 4.762 -0.224 19869 816 1 3 . 1 1 21 21 TYR CA C 21 57.640 57.640 56.301 1.339 19869 817 1 3 . 1 1 21 21 TYR CB C 21 42.201 42.201 43.299 -1.098 19869 818 1 3 . 1 1 21 21 TYR H H 21 9.330 9.330 9.089 0.241 19869 819 1 3 . 1 1 22 22 THR N N 22 118.813 118.813 118.311 0.502 19869 820 1 3 . 1 1 22 22 THR HA H 22 4.390 4.390 5.447 -1.057 19869 821 1 3 . 1 1 22 22 THR CA C 22 63.230 63.230 61.520 1.710 19869 822 1 3 . 1 1 22 22 THR CB C 22 69.380 69.380 70.297 -0.918 19869 823 1 3 . 1 1 22 22 THR H H 22 8.888 8.888 8.537 0.351 19869 824 1 3 . 1 1 23 23 ILE N N 23 129.291 129.291 122.119 7.172 19869 825 1 3 . 1 1 23 23 ILE HA H 23 4.268 4.268 4.751 -0.483 19869 826 1 3 . 1 1 23 23 ILE CA C 23 59.121 59.121 58.991 0.130 19869 827 1 3 . 1 1 23 23 ILE CB C 23 37.060 37.060 41.245 -4.185 19869 828 1 3 . 1 1 23 23 ILE H H 23 9.212 9.212 8.897 0.315 19869 829 1 3 . 1 1 24 24 VAL N N 24 127.112 127.112 122.524 4.588 19869 830 1 3 . 1 1 24 24 VAL HA H 24 5.073 5.073 4.389 0.684 19869 831 1 3 . 1 1 24 24 VAL CA C 24 60.246 60.246 63.230 -2.984 19869 832 1 3 . 1 1 24 24 VAL CB C 24 33.415 33.415 31.470 1.945 19869 833 1 3 . 1 1 24 24 VAL H H 24 8.345 8.345 8.425 -0.080 19869 834 1 3 . 1 1 25 25 GLY N N 25 113.745 113.745 115.993 -2.248 19869 835 1 3 . 1 1 25 25 GLY CA C 25 45.920 45.920 45.620 0.300 19869 836 1 3 . 1 1 25 25 GLY H H 25 8.540 8.540 8.322 0.218 19869 837 1 3 . 1 1 26 26 ALA N N 26 123.321 123.321 125.021 -1.700 19869 838 1 3 . 1 1 26 26 ALA HA H 26 4.644 4.644 4.634 0.010 19869 839 1 3 . 1 1 26 26 ALA CA C 26 51.639 51.639 51.673 -0.035 19869 840 1 3 . 1 1 26 26 ALA CB C 26 19.725 19.725 19.568 0.157 19869 841 1 3 . 1 1 26 26 ALA H H 26 8.593 8.593 7.929 0.664 19869 842 1 3 . 1 1 27 27 GLU N N 27 118.135 118.135 119.708 -1.573 19869 843 1 3 . 1 1 27 27 GLU HA H 27 4.302 4.302 4.080 0.222 19869 844 1 3 . 1 1 27 27 GLU CA C 27 55.670 55.670 57.802 -2.132 19869 845 1 3 . 1 1 27 27 GLU CB C 27 30.724 30.724 29.696 1.028 19869 846 1 3 . 1 1 27 27 GLU H H 27 8.120 8.120 8.321 -0.201 19869 847 1 3 . 1 1 28 28 SER N N 28 115.651 115.651 112.347 3.304 19869 848 1 3 . 1 1 28 28 SER HA H 28 4.700 4.700 4.830 -0.130 19869 849 1 3 . 1 1 28 28 SER CA C 28 56.044 56.044 55.504 0.540 19869 850 1 3 . 1 1 28 28 SER H H 28 8.723 8.723 7.771 0.952 19869 851 1 3 . 1 1 29 29 PRO HA H 29 4.111 4.111 4.352 -0.241 19869 852 1 3 . 1 1 29 29 PRO CA C 29 65.792 65.792 65.067 0.725 19869 853 1 3 . 1 1 29 29 PRO CB C 29 31.750 31.750 32.020 -0.270 19869 854 1 3 . 1 1 30 30 ALA N N 30 117.252 117.252 120.292 -3.040 19869 855 1 3 . 1 1 30 30 ALA HA H 30 4.028 4.028 4.249 -0.221 19869 856 1 3 . 1 1 30 30 ALA CA C 30 55.258 55.258 54.281 0.977 19869 857 1 3 . 1 1 30 30 ALA CB C 30 18.240 18.240 18.599 -0.359 19869 858 1 3 . 1 1 30 30 ALA H H 30 7.994 7.994 7.700 0.294 19869 859 1 3 . 1 1 31 31 HIS N N 31 119.161 119.161 119.811 -0.650 19869 860 1 3 . 1 1 31 31 HIS HA H 31 4.278 4.278 4.295 -0.017 19869 861 1 3 . 1 1 31 31 HIS CA C 31 59.697 59.697 58.638 1.059 19869 862 1 3 . 1 1 31 31 HIS CB C 31 30.320 30.320 30.611 -0.291 19869 863 1 3 . 1 1 31 31 HIS H H 31 7.902 7.902 7.883 0.019 19869 864 1 3 . 1 1 32 32 ILE N N 32 118.000 118.000 116.379 1.621 19869 865 1 3 . 1 1 32 32 ILE HA H 32 3.478 3.478 3.738 -0.260 19869 866 1 3 . 1 1 32 32 ILE CA C 32 63.480 63.480 64.324 -0.844 19869 867 1 3 . 1 1 32 32 ILE CB C 32 36.290 36.290 37.619 -1.329 19869 868 1 3 . 1 1 32 32 ILE H H 32 8.092 8.092 8.578 -0.486 19869 869 1 3 . 1 1 33 33 ARG N N 33 118.612 118.612 119.557 -0.945 19869 870 1 3 . 1 1 33 33 ARG HA H 33 3.911 3.911 4.170 -0.259 19869 871 1 3 . 1 1 33 33 ARG CA C 33 60.741 60.741 58.759 1.982 19869 872 1 3 . 1 1 33 33 ARG CB C 33 29.839 29.839 29.859 -0.020 19869 873 1 3 . 1 1 33 33 ARG H H 33 8.436 8.436 7.576 0.860 19869 874 1 3 . 1 1 34 34 LEU N N 34 122.935 122.935 117.885 5.050 19869 875 1 3 . 1 1 34 34 LEU HA H 34 4.154 4.154 4.504 -0.350 19869 876 1 3 . 1 1 34 34 LEU CA C 34 57.400 57.400 57.486 -0.086 19869 877 1 3 . 1 1 34 34 LEU CB C 34 41.998 41.998 41.386 0.612 19869 878 1 3 . 1 1 34 34 LEU H H 34 7.565 7.565 7.626 -0.061 19869 879 1 3 . 1 1 35 35 VAL N N 35 121.579 121.579 121.402 0.177 19869 880 1 3 . 1 1 35 35 VAL HA H 35 3.333 3.333 3.605 -0.272 19869 881 1 3 . 1 1 35 35 VAL CA C 35 66.440 66.440 67.295 -0.855 19869 882 1 3 . 1 1 35 35 VAL CB C 35 31.149 31.149 30.988 0.161 19869 883 1 3 . 1 1 35 35 VAL H H 35 8.414 8.414 7.685 0.729 19869 884 1 3 . 1 1 36 36 ALA N N 36 121.368 121.368 121.134 0.234 19869 885 1 3 . 1 1 36 36 ALA HA H 36 3.794 3.794 4.102 -0.308 19869 886 1 3 . 1 1 36 36 ALA CA C 36 55.555 55.555 55.224 0.331 19869 887 1 3 . 1 1 36 36 ALA CB C 36 18.310 18.310 18.098 0.212 19869 888 1 3 . 1 1 36 36 ALA H H 36 8.791 8.791 7.595 1.196 19869 889 1 3 . 1 1 37 37 ALA N N 37 119.373 119.373 121.432 -2.059 19869 890 1 3 . 1 1 37 37 ALA HA H 37 4.305 4.305 4.064 0.241 19869 891 1 3 . 1 1 37 37 ALA CA C 37 54.825 54.825 54.827 -0.002 19869 892 1 3 . 1 1 37 37 ALA CB C 37 18.020 18.020 18.487 -0.467 19869 893 1 3 . 1 1 37 37 ALA H H 37 7.648 7.648 7.660 -0.012 19869 894 1 3 . 1 1 38 38 PHE N N 38 120.906 120.906 120.167 0.739 19869 895 1 3 . 1 1 38 38 PHE HA H 38 4.449 4.449 4.232 0.217 19869 896 1 3 . 1 1 38 38 PHE CA C 38 61.148 61.148 61.486 -0.339 19869 897 1 3 . 1 1 38 38 PHE CB C 38 39.350 39.350 39.499 -0.149 19869 898 1 3 . 1 1 38 38 PHE H H 38 7.923 7.923 8.273 -0.350 19869 899 1 3 . 1 1 39 39 VAL N N 39 119.731 119.731 118.532 1.199 19869 900 1 3 . 1 1 39 39 VAL HA H 39 3.219 3.219 3.483 -0.264 19869 901 1 3 . 1 1 39 39 VAL CA C 39 67.520 67.520 66.338 1.182 19869 902 1 3 . 1 1 39 39 VAL CB C 39 32.059 32.059 30.658 1.401 19869 903 1 3 . 1 1 39 39 VAL H H 39 8.482 8.482 7.751 0.731 19869 904 1 3 . 1 1 40 40 ASP N N 40 120.200 120.200 120.807 -0.607 19869 905 1 3 . 1 1 40 40 ASP HA H 40 4.449 4.449 4.420 0.029 19869 906 1 3 . 1 1 40 40 ASP CA C 40 58.600 58.600 58.353 0.247 19869 907 1 3 . 1 1 40 40 ASP CB C 40 43.300 43.300 40.861 2.439 19869 908 1 3 . 1 1 40 40 ASP H H 40 8.851 8.851 8.253 0.598 19869 909 1 3 . 1 1 41 41 ASP N N 41 120.967 120.967 120.566 0.401 19869 910 1 3 . 1 1 41 41 ASP HA H 41 4.532 4.532 4.404 0.128 19869 911 1 3 . 1 1 41 41 ASP CA C 41 57.860 57.860 57.249 0.611 19869 912 1 3 . 1 1 41 41 ASP CB C 41 40.560 40.560 41.122 -0.562 19869 913 1 3 . 1 1 41 41 ASP H H 41 8.743 8.743 8.204 0.539 19869 914 1 3 . 1 1 42 42 LYS N N 42 120.600 120.600 120.700 -0.100 19869 915 1 3 . 1 1 42 42 LYS HA H 42 3.967 3.967 3.921 0.046 19869 916 1 3 . 1 1 42 42 LYS CA C 42 57.880 57.880 58.578 -0.698 19869 917 1 3 . 1 1 42 42 LYS CB C 42 31.440 31.440 31.968 -0.528 19869 918 1 3 . 1 1 42 42 LYS H H 42 7.990 7.990 7.800 0.190 19869 919 1 3 . 1 1 43 43 MET N N 43 119.600 119.600 118.974 0.626 19869 920 1 3 . 1 1 43 43 MET HA H 43 3.957 3.957 4.131 -0.174 19869 921 1 3 . 1 1 43 43 MET CA C 43 55.600 55.600 59.120 -3.520 19869 922 1 3 . 1 1 43 43 MET CB C 43 33.950 33.950 32.551 1.399 19869 923 1 3 . 1 1 43 43 MET H H 43 8.844 8.844 8.257 0.587 19869 924 1 3 . 1 1 44 44 HIS N N 44 115.981 115.981 120.323 -4.342 19869 925 1 3 . 1 1 44 44 HIS HA H 44 4.408 4.408 4.399 0.009 19869 926 1 3 . 1 1 44 44 HIS CA C 44 61.250 61.250 60.251 0.999 19869 927 1 3 . 1 1 44 44 HIS CB C 44 28.045 28.045 30.570 -2.525 19869 928 1 3 . 1 1 44 44 HIS H H 44 8.296 8.296 8.281 0.015 19869 929 1 3 . 1 1 45 45 GLU N N 45 122.501 122.501 118.159 4.342 19869 930 1 3 . 1 1 45 45 GLU HA H 45 4.034 4.034 4.050 -0.016 19869 931 1 3 . 1 1 45 45 GLU CA C 45 59.580 59.580 58.598 0.982 19869 932 1 3 . 1 1 45 45 GLU CB C 45 29.533 29.533 29.375 0.159 19869 933 1 3 . 1 1 45 45 GLU H H 45 8.399 8.399 8.542 -0.143 19869 934 1 3 . 1 1 46 46 PHE N N 46 118.451 118.451 121.145 -2.694 19869 935 1 3 . 1 1 46 46 PHE HA H 46 4.183 4.183 4.409 -0.226 19869 936 1 3 . 1 1 46 46 PHE CA C 46 61.689 61.689 58.634 3.055 19869 937 1 3 . 1 1 46 46 PHE CB C 46 38.979 38.979 39.654 -0.675 19869 938 1 3 . 1 1 46 46 PHE H H 46 8.320 8.320 7.841 0.479 19869 939 1 3 . 1 1 47 47 SER N N 47 114.878 114.878 113.591 1.287 19869 940 1 3 . 1 1 47 47 SER HA H 47 4.111 4.111 4.137 -0.026 19869 941 1 3 . 1 1 47 47 SER CA C 47 60.281 60.281 60.859 -0.578 19869 942 1 3 . 1 1 47 47 SER CB C 47 63.321 63.321 62.795 0.526 19869 943 1 3 . 1 1 47 47 SER H H 47 8.278 8.278 7.885 0.393 19869 944 1 3 . 1 1 48 48 GLU N N 48 118.579 118.579 119.029 -0.450 19869 945 1 3 . 1 1 48 48 GLU HA H 48 4.059 4.059 4.142 -0.083 19869 946 1 3 . 1 1 48 48 GLU CA C 48 58.641 58.641 58.098 0.543 19869 947 1 3 . 1 1 48 48 GLU CB C 48 29.720 29.720 29.838 -0.118 19869 948 1 3 . 1 1 48 48 GLU H H 48 7.651 7.651 7.506 0.145 19869 949 1 3 . 1 1 49 49 LYS N N 49 116.048 116.048 117.434 -1.386 19869 950 1 3 . 1 1 49 49 LYS HA H 49 4.211 4.211 4.122 0.089 19869 951 1 3 . 1 1 49 49 LYS CA C 49 57.580 57.580 56.096 1.484 19869 952 1 3 . 1 1 49 49 LYS CB C 49 33.450 33.450 32.584 0.866 19869 953 1 3 . 1 1 49 49 LYS H H 49 7.281 7.281 7.251 0.030 19869 954 1 3 . 1 1 50 50 GLN N N 50 117.953 117.953 116.138 1.815 19869 955 1 3 . 1 1 50 50 GLN HA H 50 4.249 4.249 3.933 0.316 19869 956 1 3 . 1 1 50 50 GLN CA C 50 55.610 55.610 55.750 -0.140 19869 957 1 3 . 1 1 50 50 GLN CB C 50 30.050 30.050 26.894 3.156 19869 958 1 3 . 1 1 50 50 GLN H H 50 7.930 7.930 7.437 0.493 19869 959 1 3 . 1 1 51 51 PRO HA H 51 4.597 4.597 4.181 0.416 19869 960 1 3 . 1 1 51 51 PRO CA C 51 63.600 63.600 65.013 -1.413 19869 961 1 3 . 1 1 51 51 PRO CB C 51 32.522 32.522 31.945 0.577 19869 962 1 3 . 1 1 52 52 MET N N 52 115.230 115.230 116.732 -1.502 19869 963 1 3 . 1 1 52 52 MET HA H 52 4.513 4.513 4.614 -0.101 19869 964 1 3 . 1 1 52 52 MET CA C 52 55.505 55.505 54.742 0.763 19869 965 1 3 . 1 1 52 52 MET CB C 52 30.920 30.920 33.130 -2.210 19869 966 1 3 . 1 1 52 52 MET H H 52 8.558 8.558 7.940 0.618 19869 967 1 3 . 1 1 53 53 LEU N N 53 120.540 120.540 117.368 3.172 19869 968 1 3 . 1 1 53 53 LEU HA H 53 4.252 4.252 4.047 0.205 19869 969 1 3 . 1 1 53 53 LEU CA C 53 55.690 55.690 55.534 0.156 19869 970 1 3 . 1 1 53 53 LEU CB C 53 42.728 42.728 41.224 1.504 19869 971 1 3 . 1 1 53 53 LEU H H 53 7.557 7.557 7.736 -0.179 19869 972 1 3 . 1 1 54 54 ASP N N 54 121.294 121.294 118.504 2.790 19869 973 1 3 . 1 1 54 54 ASP HA H 54 4.640 4.640 4.729 -0.089 19869 974 1 3 . 1 1 54 54 ASP CA C 54 52.280 52.280 53.190 -0.910 19869 975 1 3 . 1 1 54 54 ASP CB C 54 41.330 41.330 42.943 -1.613 19869 976 1 3 . 1 1 54 54 ASP H H 54 7.941 7.941 7.816 0.125 19869 977 1 3 . 1 1 55 55 VAL N N 55 118.701 118.701 124.585 -5.884 19869 978 1 3 . 1 1 55 55 VAL HA H 55 4.277 4.277 4.032 0.245 19869 979 1 3 . 1 1 55 55 VAL CA C 55 62.510 62.510 66.718 -4.208 19869 980 1 3 . 1 1 55 55 VAL CB C 55 29.900 29.900 29.620 0.280 19869 981 1 3 . 1 1 55 55 VAL H H 55 8.444 8.444 8.509 -0.065 19869 982 1 3 . 1 1 56 56 PRO HA H 56 3.981 3.981 4.139 -0.159 19869 983 1 3 . 1 1 56 56 PRO CA C 56 66.840 66.840 66.292 0.548 19869 984 1 3 . 1 1 56 56 PRO CB C 56 30.875 30.875 30.911 -0.036 19869 985 1 3 . 1 1 57 57 LYS N N 57 114.335 114.335 116.875 -2.540 19869 986 1 3 . 1 1 57 57 LYS HA H 57 4.213 4.213 4.150 0.063 19869 987 1 3 . 1 1 57 57 LYS CA C 57 60.027 60.027 58.726 1.301 19869 988 1 3 . 1 1 57 57 LYS CB C 57 33.700 33.700 31.533 2.167 19869 989 1 3 . 1 1 57 57 LYS H H 57 7.224 7.224 7.890 -0.666 19869 990 1 3 . 1 1 58 58 LEU N N 58 119.010 119.010 121.093 -2.083 19869 991 1 3 . 1 1 58 58 LEU HA H 58 3.714 3.714 4.145 -0.431 19869 992 1 3 . 1 1 58 58 LEU CA C 58 57.900 57.900 57.870 0.030 19869 993 1 3 . 1 1 58 58 LEU CB C 58 42.966 42.966 41.690 1.276 19869 994 1 3 . 1 1 58 58 LEU H H 58 8.369 8.369 7.866 0.503 19869 995 1 3 . 1 1 59 59 ALA N N 59 122.559 122.559 121.857 0.702 19869 996 1 3 . 1 1 59 59 ALA HA H 59 3.720 3.720 3.955 -0.235 19869 997 1 3 . 1 1 59 59 ALA CA C 59 55.510 55.510 55.294 0.216 19869 998 1 3 . 1 1 59 59 ALA CB C 59 19.020 19.020 18.301 0.719 19869 999 1 3 . 1 1 59 59 ALA H H 59 8.686 8.686 8.050 0.636 19869 1000 1 3 . 1 1 60 60 VAL N N 60 118.664 118.664 116.412 2.252 19869 1001 1 3 . 1 1 60 60 VAL HA H 60 3.251 3.251 3.748 -0.497 19869 1002 1 3 . 1 1 60 60 VAL CA C 60 67.397 67.397 65.588 1.809 19869 1003 1 3 . 1 1 60 60 VAL CB C 60 31.340 31.340 31.365 -0.025 19869 1004 1 3 . 1 1 60 60 VAL H H 60 7.777 7.777 7.699 0.078 19869 1005 1 3 . 1 1 61 61 LEU N N 61 118.415 118.415 119.653 -1.238 19869 1006 1 3 . 1 1 61 61 LEU HA H 61 3.553 3.553 4.262 -0.709 19869 1007 1 3 . 1 1 61 61 LEU CA C 61 58.150 58.150 57.442 0.708 19869 1008 1 3 . 1 1 61 61 LEU CB C 61 40.340 40.340 41.484 -1.144 19869 1009 1 3 . 1 1 61 61 LEU H H 61 8.328 8.328 7.904 0.424 19869 1010 1 3 . 1 1 62 62 THR N N 62 117.416 117.416 115.909 1.507 19869 1011 1 3 . 1 1 62 62 THR HA H 62 4.130 4.130 3.695 0.435 19869 1012 1 3 . 1 1 62 62 THR CA C 62 67.220 67.220 66.339 0.881 19869 1013 1 3 . 1 1 62 62 THR CB C 62 68.364 68.364 68.262 0.102 19869 1014 1 3 . 1 1 62 62 THR H H 62 7.787 7.787 7.677 0.110 19869 1015 1 3 . 1 1 63 63 ALA N N 63 124.319 124.319 124.520 -0.201 19869 1016 1 3 . 1 1 63 63 ALA HA H 63 3.746 3.746 4.138 -0.392 19869 1017 1 3 . 1 1 63 63 ALA CA C 63 56.243 56.243 55.159 1.084 19869 1018 1 3 . 1 1 63 63 ALA CB C 63 17.121 17.121 18.105 -0.984 19869 1019 1 3 . 1 1 63 63 ALA H H 63 8.175 8.175 7.744 0.431 19869 1020 1 3 . 1 1 64 64 VAL N N 64 116.756 116.756 118.501 -1.745 19869 1021 1 3 . 1 1 64 64 VAL HA H 64 3.324 3.324 3.622 -0.298 19869 1022 1 3 . 1 1 64 64 VAL CA C 64 66.543 66.543 65.445 1.099 19869 1023 1 3 . 1 1 64 64 VAL CB C 64 31.340 31.340 31.765 -0.425 19869 1024 1 3 . 1 1 64 64 VAL H H 64 8.422 8.422 7.630 0.792 19869 1025 1 3 . 1 1 65 65 GLN N N 65 120.091 120.091 119.794 0.297 19869 1026 1 3 . 1 1 65 65 GLN HA H 65 4.015 4.015 3.890 0.125 19869 1027 1 3 . 1 1 65 65 GLN CA C 65 59.290 59.290 59.426 -0.136 19869 1028 1 3 . 1 1 65 65 GLN CB C 65 28.450 28.450 28.385 0.065 19869 1029 1 3 . 1 1 65 65 GLN H H 65 7.924 7.924 7.327 0.597 19869 1030 1 3 . 1 1 66 66 ILE N N 66 118.358 118.358 120.015 -1.657 19869 1031 1 3 . 1 1 66 66 ILE HA H 66 3.526 3.526 3.662 -0.136 19869 1032 1 3 . 1 1 66 66 ILE CA C 66 65.305 65.305 65.004 0.301 19869 1033 1 3 . 1 1 66 66 ILE H H 66 8.441 8.441 7.623 0.818 19869 1034 1 3 . 1 1 67 67 ALA N N 67 121.518 121.518 121.820 -0.302 19869 1035 1 3 . 1 1 67 67 ALA HA H 67 4.025 4.025 4.023 0.002 19869 1036 1 3 . 1 1 67 67 ALA CA C 67 55.501 55.501 55.565 -0.064 19869 1037 1 3 . 1 1 67 67 ALA CB C 67 19.668 19.668 18.115 1.553 19869 1038 1 3 . 1 1 67 67 ALA H H 67 8.947 8.947 8.180 0.767 19869 1039 1 3 . 1 1 68 68 SER N N 68 112.523 112.523 114.846 -2.323 19869 1040 1 3 . 1 1 68 68 SER HA H 68 4.174 4.174 4.082 0.092 19869 1041 1 3 . 1 1 68 68 SER CA C 68 61.429 61.429 62.523 -1.094 19869 1042 1 3 . 1 1 68 68 SER CB C 68 63.011 63.011 62.696 0.315 19869 1043 1 3 . 1 1 68 68 SER H H 68 8.492 8.492 8.286 0.206 19869 1044 1 3 . 1 1 69 69 GLU N N 69 117.397 117.397 120.860 -3.463 19869 1045 1 3 . 1 1 69 69 GLU HA H 69 3.998 3.998 4.039 -0.041 19869 1046 1 3 . 1 1 69 69 GLU CA C 69 59.181 59.181 58.896 0.285 19869 1047 1 3 . 1 1 69 69 GLU CB C 69 28.760 28.760 29.357 -0.597 19869 1048 1 3 . 1 1 69 69 GLU H H 69 7.579 7.579 7.854 -0.275 19869 1049 1 3 . 1 1 70 70 TYR N N 70 120.853 120.853 119.682 1.171 19869 1050 1 3 . 1 1 70 70 TYR HA H 70 4.352 4.352 4.550 -0.198 19869 1051 1 3 . 1 1 70 70 TYR CA C 70 60.530 60.530 60.215 0.315 19869 1052 1 3 . 1 1 70 70 TYR CB C 70 38.480 38.480 38.603 -0.123 19869 1053 1 3 . 1 1 70 70 TYR H H 70 8.635 8.635 7.662 0.973 19869 1054 1 3 . 1 1 71 71 LEU N N 71 119.400 119.400 120.858 -1.458 19869 1055 1 3 . 1 1 71 71 LEU HA H 71 3.554 3.554 3.929 -0.375 19869 1056 1 3 . 1 1 71 71 LEU CA C 71 58.368 58.368 58.276 0.092 19869 1057 1 3 . 1 1 71 71 LEU CB C 71 40.564 40.564 41.922 -1.358 19869 1058 1 3 . 1 1 71 71 LEU H H 71 8.836 8.836 8.703 0.133 19869 1059 1 3 . 1 1 72 72 LYS N N 72 119.127 119.127 117.059 2.068 19869 1060 1 3 . 1 1 72 72 LYS HA H 72 4.095 4.095 4.414 -0.319 19869 1061 1 3 . 1 1 72 72 LYS CA C 72 59.780 59.780 58.444 1.336 19869 1062 1 3 . 1 1 72 72 LYS CB C 72 32.640 32.640 32.044 0.596 19869 1063 1 3 . 1 1 72 72 LYS H H 72 7.957 7.957 7.630 0.327 19869 1064 1 3 . 1 1 73 73 LEU N N 73 122.487 122.487 121.687 0.800 19869 1065 1 3 . 1 1 73 73 LEU HA H 73 4.127 4.127 4.273 -0.146 19869 1066 1 3 . 1 1 73 73 LEU CA C 73 57.340 57.340 57.760 -0.420 19869 1067 1 3 . 1 1 73 73 LEU CB C 73 41.020 41.020 41.948 -0.928 19869 1068 1 3 . 1 1 73 73 LEU H H 73 8.033 8.033 7.755 0.278 19869 1069 1 3 . 1 1 74 74 LYS N N 74 120.309 120.309 118.911 1.398 19869 1070 1 3 . 1 1 74 74 LYS HA H 74 3.759 3.759 4.144 -0.385 19869 1071 1 3 . 1 1 74 74 LYS CA C 74 60.700 60.700 59.219 1.481 19869 1072 1 3 . 1 1 74 74 LYS CB C 74 32.140 32.140 31.886 0.254 19869 1073 1 3 . 1 1 74 74 LYS H H 74 8.750 8.750 7.949 0.801 19869 1074 1 3 . 1 1 75 75 GLU N N 75 118.296 118.296 120.034 -1.738 19869 1075 1 3 . 1 1 75 75 GLU HA H 75 4.098 4.098 4.113 -0.015 19869 1076 1 3 . 1 1 75 75 GLU CA C 75 59.330 59.330 58.925 0.405 19869 1077 1 3 . 1 1 75 75 GLU CB C 75 29.500 29.500 29.443 0.057 19869 1078 1 3 . 1 1 75 75 GLU H H 75 7.274 7.274 7.929 -0.655 19869 1079 1 3 . 1 1 76 76 GLU N N 76 120.788 120.788 119.643 1.145 19869 1080 1 3 . 1 1 76 76 GLU HA H 76 4.152 4.152 4.073 0.079 19869 1081 1 3 . 1 1 76 76 GLU CA C 76 59.082 59.082 58.443 0.639 19869 1082 1 3 . 1 1 76 76 GLU CB C 76 29.235 29.235 29.228 0.007 19869 1083 1 3 . 1 1 76 76 GLU H H 76 7.756 7.756 7.771 -0.015 19869 1084 1 3 . 1 1 77 77 TYR N N 77 121.399 121.399 122.460 -1.061 19869 1085 1 3 . 1 1 77 77 TYR HA H 77 4.210 4.210 4.099 0.111 19869 1086 1 3 . 1 1 77 77 TYR CA C 77 61.704 61.704 60.469 1.235 19869 1087 1 3 . 1 1 77 77 TYR CB C 77 38.889 38.889 38.300 0.589 19869 1088 1 3 . 1 1 77 77 TYR H H 77 9.401 9.401 7.844 1.557 19869 1089 1 3 . 1 1 78 78 GLN N N 78 118.068 118.068 117.204 0.864 19869 1090 1 3 . 1 1 78 78 GLN HA H 78 3.784 3.784 3.692 0.092 19869 1091 1 3 . 1 1 78 78 GLN CA C 78 58.915 58.915 58.648 0.267 19869 1092 1 3 . 1 1 78 78 GLN CB C 78 27.880 27.880 28.474 -0.594 19869 1093 1 3 . 1 1 78 78 GLN H H 78 8.169 8.169 7.813 0.356 19869 1094 1 3 . 1 1 79 79 ARG N N 79 118.446 118.446 121.017 -2.571 19869 1095 1 3 . 1 1 79 79 ARG HA H 79 4.045 4.045 4.048 -0.003 19869 1096 1 3 . 1 1 79 79 ARG CA C 79 59.310 59.310 59.438 -0.128 19869 1097 1 3 . 1 1 79 79 ARG CB C 79 30.220 30.220 30.332 -0.112 19869 1098 1 3 . 1 1 79 79 ARG H H 79 7.814 7.814 7.749 0.065 19869 1099 1 3 . 1 1 80 80 LEU N N 80 121.039 121.039 117.142 3.897 19869 1100 1 3 . 1 1 80 80 LEU HA H 80 4.130 4.130 4.291 -0.161 19869 1101 1 3 . 1 1 80 80 LEU CA C 80 57.689 57.689 57.476 0.213 19869 1102 1 3 . 1 1 80 80 LEU CB C 80 41.670 41.670 42.001 -0.331 19869 1103 1 3 . 1 1 80 80 LEU H H 80 7.989 7.989 8.288 -0.299 19869 1104 1 3 . 1 1 81 81 ARG N N 81 117.498 117.498 119.102 -1.604 19869 1105 1 3 . 1 1 81 81 ARG HA H 81 3.717 3.717 4.069 -0.352 19869 1106 1 3 . 1 1 81 81 ARG CA C 81 59.030 59.030 58.782 0.248 19869 1107 1 3 . 1 1 81 81 ARG CB C 81 29.500 29.500 30.000 -0.500 19869 1108 1 3 . 1 1 81 81 ARG H H 81 8.241 8.241 7.763 0.478 19869 1109 1 3 . 1 1 82 82 GLU N N 82 117.300 117.300 119.341 -2.041 19869 1110 1 3 . 1 1 82 82 GLU HA H 82 4.060 4.060 4.016 0.044 19869 1111 1 3 . 1 1 82 82 GLU CA C 82 58.205 58.205 58.862 -0.657 19869 1112 1 3 . 1 1 82 82 GLU CB C 82 29.539 29.539 28.644 0.895 19869 1113 1 3 . 1 1 82 82 GLU H H 82 7.671 7.671 8.456 -0.785 19869 1114 1 3 . 1 1 83 83 GLN N N 83 117.205 117.205 119.215 -2.010 19869 1115 1 3 . 1 1 83 83 GLN HA H 83 4.192 4.192 4.173 0.019 19869 1116 1 3 . 1 1 83 83 GLN CA C 83 56.940 56.940 57.929 -0.990 19869 1117 1 3 . 1 1 83 83 GLN CB C 83 29.110 29.110 28.646 0.464 19869 1118 1 3 . 1 1 83 83 GLN H H 83 7.745 7.745 7.729 0.016 19869 1119 1 3 . 1 1 84 84 LEU N N 84 120.465 120.465 116.620 3.845 19869 1120 1 3 . 1 1 84 84 LEU HA H 84 4.301 4.301 4.535 -0.234 19869 1121 1 3 . 1 1 84 84 LEU CA C 84 55.180 55.180 54.546 0.634 19869 1122 1 3 . 1 1 84 84 LEU CB C 84 42.190 42.190 42.166 0.024 19869 1123 1 3 . 1 1 84 84 LEU H H 84 7.500 7.500 7.616 -0.116 19869 1124 1 3 . 1 1 85 85 LYS N N 85 126.524 126.524 117.224 9.300 19869 1125 1 3 . 1 1 85 85 LYS HA H 85 4.063 4.063 4.357 -0.294 19869 1126 1 3 . 1 1 85 85 LYS CA C 85 57.499 57.499 56.280 1.219 19869 1127 1 3 . 1 1 85 85 LYS CB C 85 33.640 33.640 33.817 -0.177 19869 1128 1 3 . 1 1 85 85 LYS H H 85 7.525 7.525 7.553 -0.028 19869 1129 1 4 . 1 1 8 8 PRO HA H 8 4.396 4.396 4.684 -0.288 19869 1130 1 4 . 1 1 8 8 PRO CA C 8 63.046 63.046 62.120 0.926 19869 1131 1 4 . 1 1 8 8 PRO CB C 8 32.151 32.151 32.558 -0.407 19869 1132 1 4 . 1 1 9 9 LYS N N 9 121.282 121.282 120.285 0.997 19869 1133 1 4 . 1 1 9 9 LYS HA H 9 4.373 4.373 4.309 0.064 19869 1134 1 4 . 1 1 9 9 LYS CA C 9 56.140 56.140 56.219 -0.079 19869 1135 1 4 . 1 1 9 9 LYS CB C 9 33.680 33.680 31.424 2.256 19869 1136 1 4 . 1 1 9 9 LYS H H 9 8.363 8.363 8.360 0.003 19869 1137 1 4 . 1 1 10 10 THR N N 10 117.787 117.787 118.954 -1.167 19869 1138 1 4 . 1 1 10 10 THR HA H 10 4.357 4.357 4.297 0.060 19869 1139 1 4 . 1 1 10 10 THR CA C 10 61.620 61.620 61.753 -0.133 19869 1140 1 4 . 1 1 10 10 THR CB C 10 70.393 70.393 70.097 0.296 19869 1141 1 4 . 1 1 10 10 THR H H 10 8.675 8.675 8.286 0.389 19869 1142 1 4 . 1 1 11 11 ARG N N 11 123.980 123.980 122.707 1.273 19869 1143 1 4 . 1 1 11 11 ARG HA H 11 5.043 5.043 5.047 -0.004 19869 1144 1 4 . 1 1 11 11 ARG CA C 11 55.142 55.142 55.158 -0.016 19869 1145 1 4 . 1 1 11 11 ARG CB C 11 32.130 32.130 32.832 -0.702 19869 1146 1 4 . 1 1 11 11 ARG H H 11 8.322 8.322 8.438 -0.116 19869 1147 1 4 . 1 1 12 12 VAL N N 12 124.311 124.311 120.549 3.762 19869 1148 1 4 . 1 1 12 12 VAL HA H 12 4.410 4.410 4.482 -0.072 19869 1149 1 4 . 1 1 12 12 VAL CA C 12 60.866 60.866 60.001 0.865 19869 1150 1 4 . 1 1 12 12 VAL CB C 12 35.447 35.447 36.131 -0.684 19869 1151 1 4 . 1 1 12 12 VAL H H 12 8.853 8.853 9.172 -0.319 19869 1152 1 4 . 1 1 13 13 SER N N 13 122.286 122.286 123.332 -1.046 19869 1153 1 4 . 1 1 13 13 SER HA H 13 5.435 5.435 5.413 0.022 19869 1154 1 4 . 1 1 13 13 SER CA C 13 57.199 57.199 57.466 -0.267 19869 1155 1 4 . 1 1 13 13 SER CB C 13 63.535 63.535 64.085 -0.550 19869 1156 1 4 . 1 1 13 13 SER H H 13 8.581 8.581 8.552 0.029 19869 1157 1 4 . 1 1 14 14 VAL N N 14 119.340 119.340 120.811 -1.471 19869 1158 1 4 . 1 1 14 14 VAL HA H 14 4.491 4.491 4.576 -0.085 19869 1159 1 4 . 1 1 14 14 VAL CA C 14 56.271 56.271 58.996 -2.725 19869 1160 1 4 . 1 1 14 14 VAL CB C 14 35.709 35.709 35.211 0.498 19869 1161 1 4 . 1 1 14 14 VAL H H 14 9.154 9.154 8.954 0.200 19869 1162 1 4 . 1 1 15 15 ARG N N 15 123.689 123.689 122.876 0.813 19869 1163 1 4 . 1 1 15 15 ARG HA H 15 5.333 5.333 4.977 0.356 19869 1164 1 4 . 1 1 15 15 ARG CA C 15 54.830 54.830 55.390 -0.560 19869 1165 1 4 . 1 1 15 15 ARG CB C 15 31.780 31.780 31.686 0.094 19869 1166 1 4 . 1 1 15 15 ARG H H 15 8.467 8.467 8.488 -0.021 19869 1167 1 4 . 1 1 16 16 ILE N N 16 125.117 125.117 124.572 0.545 19869 1168 1 4 . 1 1 16 16 ILE HA H 16 4.189 4.189 4.414 -0.225 19869 1169 1 4 . 1 1 16 16 ILE CA C 16 61.240 61.240 60.940 0.300 19869 1170 1 4 . 1 1 16 16 ILE CB C 16 41.680 41.680 40.635 1.045 19869 1171 1 4 . 1 1 16 16 ILE H H 16 9.174 9.174 9.103 0.071 19869 1172 1 4 . 1 1 17 17 TYR N N 17 137.064 137.064 128.696 8.368 19869 1173 1 4 . 1 1 17 17 TYR HA H 17 3.836 3.836 4.110 -0.274 19869 1174 1 4 . 1 1 17 17 TYR CA C 17 59.876 59.876 59.782 0.094 19869 1175 1 4 . 1 1 17 17 TYR CB C 17 39.379 39.379 37.027 2.352 19869 1176 1 4 . 1 1 17 17 TYR H H 17 10.623 10.623 9.659 0.964 19869 1177 1 4 . 1 1 18 18 GLY N N 18 102.991 102.991 103.689 -0.698 19869 1178 1 4 . 1 1 18 18 GLY CA C 18 45.674 45.674 45.038 0.636 19869 1179 1 4 . 1 1 18 18 GLY H H 18 8.604 8.604 8.558 0.046 19869 1180 1 4 . 1 1 19 19 GLN N N 19 119.104 119.104 121.931 -2.827 19869 1181 1 4 . 1 1 19 19 GLN HA H 19 4.566 4.566 4.404 0.162 19869 1182 1 4 . 1 1 19 19 GLN CA C 19 53.719 53.719 54.278 -0.559 19869 1183 1 4 . 1 1 19 19 GLN CB C 19 32.230 32.230 29.769 2.461 19869 1184 1 4 . 1 1 19 19 GLN H H 19 7.724 7.724 7.637 0.087 19869 1185 1 4 . 1 1 20 20 ASP N N 20 121.913 121.913 121.081 0.832 19869 1186 1 4 . 1 1 20 20 ASP HA H 20 5.340 5.340 5.102 0.238 19869 1187 1 4 . 1 1 20 20 ASP CA C 20 54.370 54.370 52.853 1.517 19869 1188 1 4 . 1 1 20 20 ASP CB C 20 42.600 42.600 42.107 0.493 19869 1189 1 4 . 1 1 20 20 ASP H H 20 8.217 8.217 8.134 0.083 19869 1190 1 4 . 1 1 21 21 TYR N N 21 120.801 120.801 120.754 0.047 19869 1191 1 4 . 1 1 21 21 TYR HA H 21 4.538 4.538 4.824 -0.286 19869 1192 1 4 . 1 1 21 21 TYR CA C 21 57.640 57.640 56.129 1.511 19869 1193 1 4 . 1 1 21 21 TYR CB C 21 42.201 42.201 43.049 -0.848 19869 1194 1 4 . 1 1 21 21 TYR H H 21 9.330 9.330 9.003 0.327 19869 1195 1 4 . 1 1 22 22 THR N N 22 118.813 118.813 117.964 0.849 19869 1196 1 4 . 1 1 22 22 THR HA H 22 4.390 4.390 5.185 -0.795 19869 1197 1 4 . 1 1 22 22 THR CA C 22 63.230 63.230 61.506 1.724 19869 1198 1 4 . 1 1 22 22 THR CB C 22 69.380 69.380 69.223 0.157 19869 1199 1 4 . 1 1 22 22 THR H H 22 8.888 8.888 8.470 0.418 19869 1200 1 4 . 1 1 23 23 ILE N N 23 129.291 129.291 121.933 7.358 19869 1201 1 4 . 1 1 23 23 ILE HA H 23 4.268 4.268 4.777 -0.509 19869 1202 1 4 . 1 1 23 23 ILE CA C 23 59.121 59.121 58.859 0.262 19869 1203 1 4 . 1 1 23 23 ILE CB C 23 37.060 37.060 41.035 -3.975 19869 1204 1 4 . 1 1 23 23 ILE H H 23 9.212 9.212 9.125 0.087 19869 1205 1 4 . 1 1 24 24 VAL N N 24 127.112 127.112 120.541 6.571 19869 1206 1 4 . 1 1 24 24 VAL HA H 24 5.073 5.073 4.054 1.019 19869 1207 1 4 . 1 1 24 24 VAL CA C 24 60.246 60.246 62.163 -1.917 19869 1208 1 4 . 1 1 24 24 VAL CB C 24 33.415 33.415 32.857 0.558 19869 1209 1 4 . 1 1 24 24 VAL H H 24 8.345 8.345 8.315 0.030 19869 1210 1 4 . 1 1 25 25 GLY N N 25 113.745 113.745 115.655 -1.910 19869 1211 1 4 . 1 1 25 25 GLY CA C 25 45.920 45.920 44.828 1.092 19869 1212 1 4 . 1 1 25 25 GLY H H 25 8.540 8.540 8.647 -0.107 19869 1213 1 4 . 1 1 26 26 ALA N N 26 123.321 123.321 123.429 -0.108 19869 1214 1 4 . 1 1 26 26 ALA HA H 26 4.644 4.644 4.507 0.137 19869 1215 1 4 . 1 1 26 26 ALA CA C 26 51.639 51.639 51.922 -0.283 19869 1216 1 4 . 1 1 26 26 ALA CB C 26 19.725 19.725 17.433 2.292 19869 1217 1 4 . 1 1 26 26 ALA H H 26 8.593 8.593 8.287 0.306 19869 1218 1 4 . 1 1 27 27 GLU N N 27 118.135 118.135 121.342 -3.207 19869 1219 1 4 . 1 1 27 27 GLU HA H 27 4.302 4.302 4.443 -0.141 19869 1220 1 4 . 1 1 27 27 GLU CA C 27 55.670 55.670 56.943 -1.273 19869 1221 1 4 . 1 1 27 27 GLU CB C 27 30.724 30.724 30.687 0.037 19869 1222 1 4 . 1 1 27 27 GLU H H 27 8.120 8.120 8.624 -0.504 19869 1223 1 4 . 1 1 28 28 SER N N 28 115.651 115.651 116.324 -0.673 19869 1224 1 4 . 1 1 28 28 SER HA H 28 4.700 4.700 4.832 -0.132 19869 1225 1 4 . 1 1 28 28 SER CA C 28 56.044 56.044 56.835 -0.791 19869 1226 1 4 . 1 1 28 28 SER H H 28 8.723 8.723 8.196 0.527 19869 1227 1 4 . 1 1 29 29 PRO HA H 29 4.111 4.111 4.276 -0.165 19869 1228 1 4 . 1 1 29 29 PRO CA C 29 65.792 65.792 65.297 0.495 19869 1229 1 4 . 1 1 29 29 PRO CB C 29 31.750 31.750 32.143 -0.393 19869 1230 1 4 . 1 1 30 30 ALA N N 30 117.252 117.252 118.565 -1.313 19869 1231 1 4 . 1 1 30 30 ALA HA H 30 4.028 4.028 4.235 -0.207 19869 1232 1 4 . 1 1 30 30 ALA CA C 30 55.258 55.258 53.989 1.269 19869 1233 1 4 . 1 1 30 30 ALA CB C 30 18.240 18.240 18.430 -0.190 19869 1234 1 4 . 1 1 30 30 ALA H H 30 7.994 7.994 8.060 -0.066 19869 1235 1 4 . 1 1 31 31 HIS N N 31 119.161 119.161 119.572 -0.411 19869 1236 1 4 . 1 1 31 31 HIS HA H 31 4.278 4.278 4.373 -0.095 19869 1237 1 4 . 1 1 31 31 HIS CA C 31 59.697 59.697 59.121 0.576 19869 1238 1 4 . 1 1 31 31 HIS CB C 31 30.320 30.320 30.101 0.219 19869 1239 1 4 . 1 1 31 31 HIS H H 31 7.902 7.902 8.162 -0.260 19869 1240 1 4 . 1 1 32 32 ILE N N 32 118.000 118.000 114.350 3.650 19869 1241 1 4 . 1 1 32 32 ILE HA H 32 3.478 3.478 4.018 -0.540 19869 1242 1 4 . 1 1 32 32 ILE CA C 32 63.480 63.480 63.012 0.468 19869 1243 1 4 . 1 1 32 32 ILE CB C 32 36.290 36.290 37.306 -1.016 19869 1244 1 4 . 1 1 32 32 ILE H H 32 8.092 8.092 8.207 -0.115 19869 1245 1 4 . 1 1 33 33 ARG N N 33 118.612 118.612 119.057 -0.445 19869 1246 1 4 . 1 1 33 33 ARG HA H 33 3.911 3.911 4.263 -0.352 19869 1247 1 4 . 1 1 33 33 ARG CA C 33 60.741 60.741 57.723 3.018 19869 1248 1 4 . 1 1 33 33 ARG CB C 33 29.839 29.839 30.032 -0.193 19869 1249 1 4 . 1 1 33 33 ARG H H 33 8.436 8.436 7.699 0.737 19869 1250 1 4 . 1 1 34 34 LEU N N 34 122.935 122.935 118.018 4.917 19869 1251 1 4 . 1 1 34 34 LEU HA H 34 4.154 4.154 4.465 -0.311 19869 1252 1 4 . 1 1 34 34 LEU CA C 34 57.400 57.400 57.245 0.155 19869 1253 1 4 . 1 1 34 34 LEU CB C 34 41.998 41.998 41.240 0.758 19869 1254 1 4 . 1 1 34 34 LEU H H 34 7.565 7.565 7.389 0.176 19869 1255 1 4 . 1 1 35 35 VAL N N 35 121.579 121.579 121.433 0.146 19869 1256 1 4 . 1 1 35 35 VAL HA H 35 3.333 3.333 3.539 -0.206 19869 1257 1 4 . 1 1 35 35 VAL CA C 35 66.440 66.440 67.454 -1.014 19869 1258 1 4 . 1 1 35 35 VAL CB C 35 31.149 31.149 30.860 0.289 19869 1259 1 4 . 1 1 35 35 VAL H H 35 8.414 8.414 7.570 0.844 19869 1260 1 4 . 1 1 36 36 ALA N N 36 121.368 121.368 121.210 0.158 19869 1261 1 4 . 1 1 36 36 ALA HA H 36 3.794 3.794 4.083 -0.289 19869 1262 1 4 . 1 1 36 36 ALA CA C 36 55.555 55.555 55.140 0.415 19869 1263 1 4 . 1 1 36 36 ALA CB C 36 18.310 18.310 17.972 0.338 19869 1264 1 4 . 1 1 36 36 ALA H H 36 8.791 8.791 8.081 0.710 19869 1265 1 4 . 1 1 37 37 ALA N N 37 119.373 119.373 121.377 -2.004 19869 1266 1 4 . 1 1 37 37 ALA HA H 37 4.305 4.305 4.043 0.262 19869 1267 1 4 . 1 1 37 37 ALA CA C 37 54.825 54.825 54.879 -0.054 19869 1268 1 4 . 1 1 37 37 ALA CB C 37 18.020 18.020 18.506 -0.486 19869 1269 1 4 . 1 1 37 37 ALA H H 37 7.648 7.648 7.883 -0.235 19869 1270 1 4 . 1 1 38 38 PHE N N 38 120.906 120.906 119.944 0.962 19869 1271 1 4 . 1 1 38 38 PHE HA H 38 4.449 4.449 4.208 0.241 19869 1272 1 4 . 1 1 38 38 PHE CA C 38 61.148 61.148 60.942 0.206 19869 1273 1 4 . 1 1 38 38 PHE CB C 38 39.350 39.350 39.326 0.024 19869 1274 1 4 . 1 1 38 38 PHE H H 38 7.923 7.923 8.224 -0.301 19869 1275 1 4 . 1 1 39 39 VAL N N 39 119.731 119.731 118.442 1.289 19869 1276 1 4 . 1 1 39 39 VAL HA H 39 3.219 3.219 3.239 -0.020 19869 1277 1 4 . 1 1 39 39 VAL CA C 39 67.520 67.520 65.937 1.583 19869 1278 1 4 . 1 1 39 39 VAL CB C 39 32.059 32.059 30.677 1.382 19869 1279 1 4 . 1 1 39 39 VAL H H 39 8.482 8.482 7.703 0.779 19869 1280 1 4 . 1 1 40 40 ASP N N 40 120.200 120.200 120.386 -0.186 19869 1281 1 4 . 1 1 40 40 ASP HA H 40 4.449 4.449 4.405 0.044 19869 1282 1 4 . 1 1 40 40 ASP CA C 40 58.600 58.600 57.893 0.707 19869 1283 1 4 . 1 1 40 40 ASP CB C 40 43.300 43.300 41.071 2.229 19869 1284 1 4 . 1 1 40 40 ASP H H 40 8.851 8.851 8.440 0.411 19869 1285 1 4 . 1 1 41 41 ASP N N 41 120.967 120.967 119.752 1.215 19869 1286 1 4 . 1 1 41 41 ASP HA H 41 4.532 4.532 4.533 -0.001 19869 1287 1 4 . 1 1 41 41 ASP CA C 41 57.860 57.860 56.882 0.978 19869 1288 1 4 . 1 1 41 41 ASP CB C 41 40.560 40.560 41.144 -0.584 19869 1289 1 4 . 1 1 41 41 ASP H H 41 8.743 8.743 7.952 0.791 19869 1290 1 4 . 1 1 42 42 LYS N N 42 120.600 120.600 120.167 0.433 19869 1291 1 4 . 1 1 42 42 LYS HA H 42 3.967 3.967 4.014 -0.047 19869 1292 1 4 . 1 1 42 42 LYS CA C 42 57.880 57.880 58.861 -0.981 19869 1293 1 4 . 1 1 42 42 LYS CB C 42 31.440 31.440 32.202 -0.762 19869 1294 1 4 . 1 1 42 42 LYS H H 42 7.990 7.990 7.659 0.331 19869 1295 1 4 . 1 1 43 43 MET N N 43 119.600 119.600 117.522 2.078 19869 1296 1 4 . 1 1 43 43 MET HA H 43 3.957 3.957 4.294 -0.337 19869 1297 1 4 . 1 1 43 43 MET CA C 43 55.600 55.600 58.933 -3.333 19869 1298 1 4 . 1 1 43 43 MET CB C 43 33.950 33.950 32.611 1.339 19869 1299 1 4 . 1 1 43 43 MET H H 43 8.844 8.844 8.014 0.830 19869 1300 1 4 . 1 1 44 44 HIS N N 44 115.981 115.981 119.216 -3.235 19869 1301 1 4 . 1 1 44 44 HIS HA H 44 4.408 4.408 4.386 0.022 19869 1302 1 4 . 1 1 44 44 HIS CA C 44 61.250 61.250 60.715 0.535 19869 1303 1 4 . 1 1 44 44 HIS CB C 44 28.045 28.045 29.980 -1.935 19869 1304 1 4 . 1 1 44 44 HIS H H 44 8.296 8.296 7.647 0.649 19869 1305 1 4 . 1 1 45 45 GLU N N 45 122.501 122.501 118.471 4.030 19869 1306 1 4 . 1 1 45 45 GLU HA H 45 4.034 4.034 4.048 -0.014 19869 1307 1 4 . 1 1 45 45 GLU CA C 45 59.580 59.580 58.911 0.669 19869 1308 1 4 . 1 1 45 45 GLU CB C 45 29.533 29.533 28.864 0.669 19869 1309 1 4 . 1 1 45 45 GLU H H 45 8.399 8.399 7.745 0.654 19869 1310 1 4 . 1 1 46 46 PHE N N 46 118.451 118.451 119.601 -1.150 19869 1311 1 4 . 1 1 46 46 PHE HA H 46 4.183 4.183 4.360 -0.177 19869 1312 1 4 . 1 1 46 46 PHE CA C 46 61.689 61.689 60.807 0.882 19869 1313 1 4 . 1 1 46 46 PHE CB C 46 38.979 38.979 38.808 0.171 19869 1314 1 4 . 1 1 46 46 PHE H H 46 8.320 8.320 7.485 0.835 19869 1315 1 4 . 1 1 47 47 SER N N 47 114.878 114.878 113.922 0.956 19869 1316 1 4 . 1 1 47 47 SER HA H 47 4.111 4.111 4.223 -0.112 19869 1317 1 4 . 1 1 47 47 SER CA C 47 60.281 60.281 61.385 -1.104 19869 1318 1 4 . 1 1 47 47 SER CB C 47 63.321 63.321 62.870 0.452 19869 1319 1 4 . 1 1 47 47 SER H H 47 8.278 8.278 7.977 0.301 19869 1320 1 4 . 1 1 48 48 GLU N N 48 118.579 118.579 118.944 -0.365 19869 1321 1 4 . 1 1 48 48 GLU HA H 48 4.059 4.059 4.251 -0.192 19869 1322 1 4 . 1 1 48 48 GLU CA C 48 58.641 58.641 58.021 0.620 19869 1323 1 4 . 1 1 48 48 GLU CB C 48 29.720 29.720 29.892 -0.172 19869 1324 1 4 . 1 1 48 48 GLU H H 48 7.651 7.651 7.701 -0.050 19869 1325 1 4 . 1 1 49 49 LYS N N 49 116.048 116.048 117.552 -1.504 19869 1326 1 4 . 1 1 49 49 LYS HA H 49 4.211 4.211 4.258 -0.047 19869 1327 1 4 . 1 1 49 49 LYS CA C 49 57.580 57.580 56.374 1.206 19869 1328 1 4 . 1 1 49 49 LYS CB C 49 33.450 33.450 32.991 0.459 19869 1329 1 4 . 1 1 49 49 LYS H H 49 7.281 7.281 7.468 -0.187 19869 1330 1 4 . 1 1 50 50 GLN N N 50 117.953 117.953 116.433 1.520 19869 1331 1 4 . 1 1 50 50 GLN HA H 50 4.249 4.249 4.123 0.126 19869 1332 1 4 . 1 1 50 50 GLN CA C 50 55.610 55.610 55.787 -0.177 19869 1333 1 4 . 1 1 50 50 GLN CB C 50 30.050 30.050 26.974 3.076 19869 1334 1 4 . 1 1 50 50 GLN H H 50 7.930 7.930 7.781 0.149 19869 1335 1 4 . 1 1 51 51 PRO HA H 51 4.597 4.597 4.340 0.257 19869 1336 1 4 . 1 1 51 51 PRO CA C 51 63.600 63.600 64.903 -1.303 19869 1337 1 4 . 1 1 51 51 PRO CB C 51 32.522 32.522 32.094 0.428 19869 1338 1 4 . 1 1 52 52 MET N N 52 115.230 115.230 116.659 -1.429 19869 1339 1 4 . 1 1 52 52 MET HA H 52 4.513 4.513 4.555 -0.042 19869 1340 1 4 . 1 1 52 52 MET CA C 52 55.505 55.505 54.674 0.831 19869 1341 1 4 . 1 1 52 52 MET CB C 52 30.920 30.920 32.961 -2.041 19869 1342 1 4 . 1 1 52 52 MET H H 52 8.558 8.558 8.022 0.536 19869 1343 1 4 . 1 1 53 53 LEU N N 53 120.540 120.540 118.223 2.317 19869 1344 1 4 . 1 1 53 53 LEU HA H 53 4.252 4.252 3.958 0.294 19869 1345 1 4 . 1 1 53 53 LEU CA C 53 55.690 55.690 55.452 0.238 19869 1346 1 4 . 1 1 53 53 LEU CB C 53 42.728 42.728 41.387 1.341 19869 1347 1 4 . 1 1 53 53 LEU H H 53 7.557 7.557 7.930 -0.373 19869 1348 1 4 . 1 1 54 54 ASP N N 54 121.294 121.294 118.177 3.117 19869 1349 1 4 . 1 1 54 54 ASP HA H 54 4.640 4.640 4.746 -0.106 19869 1350 1 4 . 1 1 54 54 ASP CA C 54 52.280 52.280 52.961 -0.681 19869 1351 1 4 . 1 1 54 54 ASP CB C 54 41.330 41.330 43.113 -1.783 19869 1352 1 4 . 1 1 54 54 ASP H H 54 7.941 7.941 7.764 0.177 19869 1353 1 4 . 1 1 55 55 VAL N N 55 118.701 118.701 123.927 -5.226 19869 1354 1 4 . 1 1 55 55 VAL HA H 55 4.277 4.277 3.832 0.445 19869 1355 1 4 . 1 1 55 55 VAL CA C 55 62.510 62.510 66.821 -4.311 19869 1356 1 4 . 1 1 55 55 VAL CB C 55 29.900 29.900 29.479 0.421 19869 1357 1 4 . 1 1 55 55 VAL H H 55 8.444 8.444 8.496 -0.052 19869 1358 1 4 . 1 1 56 56 PRO HA H 56 3.981 3.981 4.215 -0.234 19869 1359 1 4 . 1 1 56 56 PRO CA C 56 66.840 66.840 65.919 0.921 19869 1360 1 4 . 1 1 56 56 PRO CB C 56 30.875 30.875 30.978 -0.103 19869 1361 1 4 . 1 1 57 57 LYS N N 57 114.335 114.335 116.558 -2.223 19869 1362 1 4 . 1 1 57 57 LYS HA H 57 4.213 4.213 4.144 0.069 19869 1363 1 4 . 1 1 57 57 LYS CA C 57 60.027 60.027 58.424 1.603 19869 1364 1 4 . 1 1 57 57 LYS CB C 57 33.700 33.700 31.652 2.048 19869 1365 1 4 . 1 1 57 57 LYS H H 57 7.224 7.224 8.423 -1.199 19869 1366 1 4 . 1 1 58 58 LEU N N 58 119.010 119.010 120.509 -1.499 19869 1367 1 4 . 1 1 58 58 LEU HA H 58 3.714 3.714 4.059 -0.345 19869 1368 1 4 . 1 1 58 58 LEU CA C 58 57.900 57.900 57.193 0.707 19869 1369 1 4 . 1 1 58 58 LEU CB C 58 42.966 42.966 41.799 1.167 19869 1370 1 4 . 1 1 58 58 LEU H H 58 8.369 8.369 7.648 0.721 19869 1371 1 4 . 1 1 59 59 ALA N N 59 122.559 122.559 122.447 0.112 19869 1372 1 4 . 1 1 59 59 ALA HA H 59 3.720 3.720 4.038 -0.318 19869 1373 1 4 . 1 1 59 59 ALA CA C 59 55.510 55.510 54.897 0.613 19869 1374 1 4 . 1 1 59 59 ALA CB C 59 19.020 19.020 18.321 0.699 19869 1375 1 4 . 1 1 59 59 ALA H H 59 8.686 8.686 8.003 0.683 19869 1376 1 4 . 1 1 60 60 VAL N N 60 118.664 118.664 118.188 0.476 19869 1377 1 4 . 1 1 60 60 VAL HA H 60 3.251 3.251 3.827 -0.576 19869 1378 1 4 . 1 1 60 60 VAL CA C 60 67.397 67.397 65.033 2.364 19869 1379 1 4 . 1 1 60 60 VAL CB C 60 31.340 31.340 31.437 -0.097 19869 1380 1 4 . 1 1 60 60 VAL H H 60 7.777 7.777 7.554 0.223 19869 1381 1 4 . 1 1 61 61 LEU N N 61 118.415 118.415 120.694 -2.279 19869 1382 1 4 . 1 1 61 61 LEU HA H 61 3.553 3.553 3.941 -0.388 19869 1383 1 4 . 1 1 61 61 LEU CA C 61 58.150 58.150 57.898 0.252 19869 1384 1 4 . 1 1 61 61 LEU CB C 61 40.340 40.340 41.693 -1.353 19869 1385 1 4 . 1 1 61 61 LEU H H 61 8.328 8.328 7.309 1.019 19869 1386 1 4 . 1 1 62 62 THR N N 62 117.416 117.416 113.102 4.314 19869 1387 1 4 . 1 1 62 62 THR HA H 62 4.130 4.130 3.738 0.392 19869 1388 1 4 . 1 1 62 62 THR CA C 62 67.220 67.220 65.744 1.476 19869 1389 1 4 . 1 1 62 62 THR CB C 62 68.364 68.364 68.297 0.067 19869 1390 1 4 . 1 1 62 62 THR H H 62 7.787 7.787 7.694 0.093 19869 1391 1 4 . 1 1 63 63 ALA N N 63 124.319 124.319 124.906 -0.587 19869 1392 1 4 . 1 1 63 63 ALA HA H 63 3.746 3.746 4.038 -0.292 19869 1393 1 4 . 1 1 63 63 ALA CA C 63 56.243 56.243 55.060 1.183 19869 1394 1 4 . 1 1 63 63 ALA CB C 63 17.121 17.121 18.016 -0.895 19869 1395 1 4 . 1 1 63 63 ALA H H 63 8.175 8.175 7.473 0.702 19869 1396 1 4 . 1 1 64 64 VAL N N 64 116.756 116.756 118.431 -1.675 19869 1397 1 4 . 1 1 64 64 VAL HA H 64 3.324 3.324 3.590 -0.266 19869 1398 1 4 . 1 1 64 64 VAL CA C 64 66.543 66.543 65.710 0.833 19869 1399 1 4 . 1 1 64 64 VAL CB C 64 31.340 31.340 31.767 -0.427 19869 1400 1 4 . 1 1 64 64 VAL H H 64 8.422 8.422 7.666 0.756 19869 1401 1 4 . 1 1 65 65 GLN N N 65 120.091 120.091 119.939 0.152 19869 1402 1 4 . 1 1 65 65 GLN HA H 65 4.015 4.015 4.054 -0.039 19869 1403 1 4 . 1 1 65 65 GLN CA C 65 59.290 59.290 59.144 0.146 19869 1404 1 4 . 1 1 65 65 GLN CB C 65 28.450 28.450 28.626 -0.176 19869 1405 1 4 . 1 1 65 65 GLN H H 65 7.924 7.924 7.466 0.458 19869 1406 1 4 . 1 1 66 66 ILE N N 66 118.358 118.358 120.127 -1.769 19869 1407 1 4 . 1 1 66 66 ILE HA H 66 3.526 3.526 3.796 -0.270 19869 1408 1 4 . 1 1 66 66 ILE CA C 66 65.305 65.305 65.398 -0.093 19869 1409 1 4 . 1 1 66 66 ILE H H 66 8.441 8.441 8.526 -0.085 19869 1410 1 4 . 1 1 67 67 ALA N N 67 121.518 121.518 122.241 -0.723 19869 1411 1 4 . 1 1 67 67 ALA HA H 67 4.025 4.025 3.949 0.076 19869 1412 1 4 . 1 1 67 67 ALA CA C 67 55.501 55.501 55.682 -0.181 19869 1413 1 4 . 1 1 67 67 ALA CB C 67 19.668 19.668 18.007 1.661 19869 1414 1 4 . 1 1 67 67 ALA H H 67 8.947 8.947 8.217 0.730 19869 1415 1 4 . 1 1 68 68 SER N N 68 112.523 112.523 114.637 -2.114 19869 1416 1 4 . 1 1 68 68 SER HA H 68 4.174 4.174 4.118 0.056 19869 1417 1 4 . 1 1 68 68 SER CA C 68 61.429 61.429 62.828 -1.399 19869 1418 1 4 . 1 1 68 68 SER CB C 68 63.011 63.011 62.930 0.081 19869 1419 1 4 . 1 1 68 68 SER H H 68 8.492 8.492 8.142 0.350 19869 1420 1 4 . 1 1 69 69 GLU N N 69 117.397 117.397 121.970 -4.573 19869 1421 1 4 . 1 1 69 69 GLU HA H 69 3.998 3.998 4.093 -0.095 19869 1422 1 4 . 1 1 69 69 GLU CA C 69 59.181 59.181 59.578 -0.397 19869 1423 1 4 . 1 1 69 69 GLU CB C 69 28.760 28.760 30.118 -1.358 19869 1424 1 4 . 1 1 69 69 GLU H H 69 7.579 7.579 8.183 -0.604 19869 1425 1 4 . 1 1 70 70 TYR N N 70 120.853 120.853 117.839 3.014 19869 1426 1 4 . 1 1 70 70 TYR HA H 70 4.352 4.352 4.443 -0.091 19869 1427 1 4 . 1 1 70 70 TYR CA C 70 60.530 60.530 60.239 0.291 19869 1428 1 4 . 1 1 70 70 TYR CB C 70 38.480 38.480 38.593 -0.113 19869 1429 1 4 . 1 1 70 70 TYR H H 70 8.635 8.635 8.302 0.333 19869 1430 1 4 . 1 1 71 71 LEU N N 71 119.400 119.400 120.790 -1.390 19869 1431 1 4 . 1 1 71 71 LEU HA H 71 3.554 3.554 3.952 -0.398 19869 1432 1 4 . 1 1 71 71 LEU CA C 71 58.368 58.368 58.179 0.189 19869 1433 1 4 . 1 1 71 71 LEU CB C 71 40.564 40.564 42.052 -1.488 19869 1434 1 4 . 1 1 71 71 LEU H H 71 8.836 8.836 8.554 0.282 19869 1435 1 4 . 1 1 72 72 LYS N N 72 119.127 119.127 116.403 2.724 19869 1436 1 4 . 1 1 72 72 LYS HA H 72 4.095 4.095 4.589 -0.494 19869 1437 1 4 . 1 1 72 72 LYS CA C 72 59.780 59.780 58.136 1.644 19869 1438 1 4 . 1 1 72 72 LYS CB C 72 32.640 32.640 32.213 0.427 19869 1439 1 4 . 1 1 72 72 LYS H H 72 7.957 7.957 7.789 0.168 19869 1440 1 4 . 1 1 73 73 LEU N N 73 122.487 122.487 121.677 0.810 19869 1441 1 4 . 1 1 73 73 LEU HA H 73 4.127 4.127 4.312 -0.185 19869 1442 1 4 . 1 1 73 73 LEU CA C 73 57.340 57.340 57.163 0.177 19869 1443 1 4 . 1 1 73 73 LEU CB C 73 41.020 41.020 42.699 -1.679 19869 1444 1 4 . 1 1 73 73 LEU H H 73 8.033 8.033 7.575 0.458 19869 1445 1 4 . 1 1 74 74 LYS N N 74 120.309 120.309 118.817 1.492 19869 1446 1 4 . 1 1 74 74 LYS HA H 74 3.759 3.759 4.122 -0.363 19869 1447 1 4 . 1 1 74 74 LYS CA C 74 60.700 60.700 59.134 1.566 19869 1448 1 4 . 1 1 74 74 LYS CB C 74 32.140 32.140 31.978 0.162 19869 1449 1 4 . 1 1 74 74 LYS H H 74 8.750 8.750 8.110 0.640 19869 1450 1 4 . 1 1 75 75 GLU N N 75 118.296 118.296 118.828 -0.532 19869 1451 1 4 . 1 1 75 75 GLU HA H 75 4.098 4.098 4.165 -0.067 19869 1452 1 4 . 1 1 75 75 GLU CA C 75 59.330 59.330 58.723 0.607 19869 1453 1 4 . 1 1 75 75 GLU CB C 75 29.500 29.500 29.492 0.007 19869 1454 1 4 . 1 1 75 75 GLU H H 75 7.274 7.274 7.867 -0.593 19869 1455 1 4 . 1 1 76 76 GLU N N 76 120.788 120.788 119.569 1.219 19869 1456 1 4 . 1 1 76 76 GLU HA H 76 4.152 4.152 4.034 0.118 19869 1457 1 4 . 1 1 76 76 GLU CA C 76 59.082 59.082 58.586 0.496 19869 1458 1 4 . 1 1 76 76 GLU CB C 76 29.235 29.235 29.146 0.089 19869 1459 1 4 . 1 1 76 76 GLU H H 76 7.756 7.756 7.917 -0.161 19869 1460 1 4 . 1 1 77 77 TYR N N 77 121.399 121.399 121.505 -0.106 19869 1461 1 4 . 1 1 77 77 TYR HA H 77 4.210 4.210 4.101 0.109 19869 1462 1 4 . 1 1 77 77 TYR CA C 77 61.704 61.704 60.832 0.872 19869 1463 1 4 . 1 1 77 77 TYR CB C 77 38.889 38.889 38.246 0.643 19869 1464 1 4 . 1 1 77 77 TYR H H 77 9.401 9.401 7.738 1.663 19869 1465 1 4 . 1 1 78 78 GLN N N 78 118.068 118.068 117.283 0.785 19869 1466 1 4 . 1 1 78 78 GLN HA H 78 3.784 3.784 3.727 0.057 19869 1467 1 4 . 1 1 78 78 GLN CA C 78 58.915 58.915 58.725 0.190 19869 1468 1 4 . 1 1 78 78 GLN CB C 78 27.880 27.880 28.203 -0.323 19869 1469 1 4 . 1 1 78 78 GLN H H 78 8.169 8.169 7.670 0.499 19869 1470 1 4 . 1 1 79 79 ARG N N 79 118.446 118.446 120.455 -2.009 19869 1471 1 4 . 1 1 79 79 ARG HA H 79 4.045 4.045 4.335 -0.290 19869 1472 1 4 . 1 1 79 79 ARG CA C 79 59.310 59.310 58.380 0.930 19869 1473 1 4 . 1 1 79 79 ARG CB C 79 30.220 30.220 29.908 0.312 19869 1474 1 4 . 1 1 79 79 ARG H H 79 7.814 7.814 7.577 0.237 19869 1475 1 4 . 1 1 80 80 LEU N N 80 121.039 121.039 116.625 4.414 19869 1476 1 4 . 1 1 80 80 LEU HA H 80 4.130 4.130 4.233 -0.103 19869 1477 1 4 . 1 1 80 80 LEU CA C 80 57.689 57.689 57.785 -0.096 19869 1478 1 4 . 1 1 80 80 LEU CB C 80 41.670 41.670 41.344 0.326 19869 1479 1 4 . 1 1 80 80 LEU H H 80 7.989 7.989 7.643 0.346 19869 1480 1 4 . 1 1 81 81 ARG N N 81 117.498 117.498 118.609 -1.111 19869 1481 1 4 . 1 1 81 81 ARG HA H 81 3.717 3.717 3.992 -0.275 19869 1482 1 4 . 1 1 81 81 ARG CA C 81 59.030 59.030 58.814 0.216 19869 1483 1 4 . 1 1 81 81 ARG CB C 81 29.500 29.500 30.260 -0.760 19869 1484 1 4 . 1 1 81 81 ARG H H 81 8.241 8.241 7.318 0.923 19869 1485 1 4 . 1 1 82 82 GLU N N 82 117.300 117.300 118.149 -0.849 19869 1486 1 4 . 1 1 82 82 GLU HA H 82 4.060 4.060 4.039 0.021 19869 1487 1 4 . 1 1 82 82 GLU CA C 82 58.205 58.205 58.605 -0.400 19869 1488 1 4 . 1 1 82 82 GLU CB C 82 29.539 29.539 29.211 0.328 19869 1489 1 4 . 1 1 82 82 GLU H H 82 7.671 7.671 8.199 -0.528 19869 1490 1 4 . 1 1 83 83 GLN N N 83 117.205 117.205 118.923 -1.718 19869 1491 1 4 . 1 1 83 83 GLN HA H 83 4.192 4.192 4.115 0.077 19869 1492 1 4 . 1 1 83 83 GLN CA C 83 56.940 56.940 58.260 -1.320 19869 1493 1 4 . 1 1 83 83 GLN CB C 83 29.110 29.110 28.920 0.190 19869 1494 1 4 . 1 1 83 83 GLN H H 83 7.745 7.745 7.714 0.031 19869 1495 1 4 . 1 1 84 84 LEU N N 84 120.465 120.465 117.367 3.098 19869 1496 1 4 . 1 1 84 84 LEU HA H 84 4.301 4.301 4.312 -0.011 19869 1497 1 4 . 1 1 84 84 LEU CA C 84 55.180 55.180 55.741 -0.561 19869 1498 1 4 . 1 1 84 84 LEU CB C 84 42.190 42.190 42.138 0.052 19869 1499 1 4 . 1 1 84 84 LEU H H 84 7.500 7.500 7.401 0.099 19869 1500 1 4 . 1 1 85 85 LYS N N 85 126.524 126.524 119.213 7.311 19869 1501 1 4 . 1 1 85 85 LYS HA H 85 4.063 4.063 4.291 -0.228 19869 1502 1 4 . 1 1 85 85 LYS CA C 85 57.499 57.499 57.149 0.350 19869 1503 1 4 . 1 1 85 85 LYS CB C 85 33.640 33.640 33.445 0.195 19869 1504 1 4 . 1 1 85 85 LYS H H 85 7.525 7.525 7.531 -0.006 19869 1505 1 5 . 1 1 8 8 PRO HA H 8 4.396 4.396 4.590 -0.194 19869 1506 1 5 . 1 1 8 8 PRO CA C 8 63.046 63.046 62.198 0.848 19869 1507 1 5 . 1 1 8 8 PRO CB C 8 32.151 32.151 32.225 -0.074 19869 1508 1 5 . 1 1 9 9 LYS N N 9 121.282 121.282 119.908 1.374 19869 1509 1 5 . 1 1 9 9 LYS HA H 9 4.373 4.373 4.148 0.225 19869 1510 1 5 . 1 1 9 9 LYS CA C 9 56.140 56.140 56.884 -0.744 19869 1511 1 5 . 1 1 9 9 LYS CB C 9 33.680 33.680 31.696 1.984 19869 1512 1 5 . 1 1 9 9 LYS H H 9 8.363 8.363 8.223 0.140 19869 1513 1 5 . 1 1 10 10 THR N N 10 117.787 117.787 117.267 0.520 19869 1514 1 5 . 1 1 10 10 THR HA H 10 4.357 4.357 4.352 0.005 19869 1515 1 5 . 1 1 10 10 THR CA C 10 61.620 61.620 61.420 0.200 19869 1516 1 5 . 1 1 10 10 THR CB C 10 70.393 70.393 70.089 0.304 19869 1517 1 5 . 1 1 10 10 THR H H 10 8.675 8.675 8.424 0.251 19869 1518 1 5 . 1 1 11 11 ARG N N 11 123.980 123.980 124.266 -0.286 19869 1519 1 5 . 1 1 11 11 ARG HA H 11 5.043 5.043 5.199 -0.156 19869 1520 1 5 . 1 1 11 11 ARG CA C 11 55.142 55.142 55.099 0.043 19869 1521 1 5 . 1 1 11 11 ARG CB C 11 32.130 32.130 32.121 0.009 19869 1522 1 5 . 1 1 11 11 ARG H H 11 8.322 8.322 8.487 -0.165 19869 1523 1 5 . 1 1 12 12 VAL N N 12 124.311 124.311 124.076 0.235 19869 1524 1 5 . 1 1 12 12 VAL HA H 12 4.410 4.410 4.533 -0.123 19869 1525 1 5 . 1 1 12 12 VAL CA C 12 60.866 60.866 59.484 1.382 19869 1526 1 5 . 1 1 12 12 VAL CB C 12 35.447 35.447 35.718 -0.271 19869 1527 1 5 . 1 1 12 12 VAL H H 12 8.853 8.853 9.193 -0.340 19869 1528 1 5 . 1 1 13 13 SER N N 13 122.286 122.286 123.838 -1.552 19869 1529 1 5 . 1 1 13 13 SER HA H 13 5.435 5.435 5.343 0.092 19869 1530 1 5 . 1 1 13 13 SER CA C 13 57.199 57.199 57.621 -0.422 19869 1531 1 5 . 1 1 13 13 SER CB C 13 63.535 63.535 63.609 -0.074 19869 1532 1 5 . 1 1 13 13 SER H H 13 8.581 8.581 8.525 0.056 19869 1533 1 5 . 1 1 14 14 VAL N N 14 119.340 119.340 120.467 -1.127 19869 1534 1 5 . 1 1 14 14 VAL HA H 14 4.491 4.491 4.575 -0.084 19869 1535 1 5 . 1 1 14 14 VAL CA C 14 56.271 56.271 59.325 -3.054 19869 1536 1 5 . 1 1 14 14 VAL CB C 14 35.709 35.709 34.899 0.810 19869 1537 1 5 . 1 1 14 14 VAL H H 14 9.154 9.154 9.066 0.088 19869 1538 1 5 . 1 1 15 15 ARG N N 15 123.689 123.689 123.789 -0.100 19869 1539 1 5 . 1 1 15 15 ARG HA H 15 5.333 5.333 5.479 -0.146 19869 1540 1 5 . 1 1 15 15 ARG CA C 15 54.830 54.830 55.439 -0.609 19869 1541 1 5 . 1 1 15 15 ARG CB C 15 31.780 31.780 31.660 0.120 19869 1542 1 5 . 1 1 15 15 ARG H H 15 8.467 8.467 8.530 -0.063 19869 1543 1 5 . 1 1 16 16 ILE N N 16 125.117 125.117 125.690 -0.573 19869 1544 1 5 . 1 1 16 16 ILE HA H 16 4.189 4.189 4.527 -0.338 19869 1545 1 5 . 1 1 16 16 ILE CA C 16 61.240 61.240 60.959 0.281 19869 1546 1 5 . 1 1 16 16 ILE CB C 16 41.680 41.680 40.681 0.999 19869 1547 1 5 . 1 1 16 16 ILE H H 16 9.174 9.174 9.335 -0.161 19869 1548 1 5 . 1 1 17 17 TYR N N 17 137.064 137.064 128.462 8.602 19869 1549 1 5 . 1 1 17 17 TYR HA H 17 3.836 3.836 4.154 -0.318 19869 1550 1 5 . 1 1 17 17 TYR CA C 17 59.876 59.876 59.705 0.171 19869 1551 1 5 . 1 1 17 17 TYR CB C 17 39.379 39.379 37.043 2.336 19869 1552 1 5 . 1 1 17 17 TYR H H 17 10.623 10.623 9.196 1.427 19869 1553 1 5 . 1 1 18 18 GLY N N 18 102.991 102.991 103.389 -0.398 19869 1554 1 5 . 1 1 18 18 GLY CA C 18 45.674 45.674 45.006 0.668 19869 1555 1 5 . 1 1 18 18 GLY H H 18 8.604 8.604 8.532 0.072 19869 1556 1 5 . 1 1 19 19 GLN N N 19 119.104 119.104 121.050 -1.946 19869 1557 1 5 . 1 1 19 19 GLN HA H 19 4.566 4.566 4.507 0.059 19869 1558 1 5 . 1 1 19 19 GLN CA C 19 53.719 53.719 54.523 -0.804 19869 1559 1 5 . 1 1 19 19 GLN CB C 19 32.230 32.230 30.836 1.394 19869 1560 1 5 . 1 1 19 19 GLN H H 19 7.724 7.724 7.863 -0.139 19869 1561 1 5 . 1 1 20 20 ASP N N 20 121.913 121.913 119.233 2.680 19869 1562 1 5 . 1 1 20 20 ASP HA H 20 5.340 5.340 5.224 0.116 19869 1563 1 5 . 1 1 20 20 ASP CA C 20 54.370 54.370 52.885 1.485 19869 1564 1 5 . 1 1 20 20 ASP CB C 20 42.600 42.600 42.439 0.161 19869 1565 1 5 . 1 1 20 20 ASP H H 20 8.217 8.217 8.180 0.037 19869 1566 1 5 . 1 1 21 21 TYR N N 21 120.801 120.801 122.259 -1.458 19869 1567 1 5 . 1 1 21 21 TYR HA H 21 4.538 4.538 4.725 -0.187 19869 1568 1 5 . 1 1 21 21 TYR CA C 21 57.640 57.640 56.950 0.690 19869 1569 1 5 . 1 1 21 21 TYR CB C 21 42.201 42.201 42.334 -0.133 19869 1570 1 5 . 1 1 21 21 TYR H H 21 9.330 9.330 9.184 0.146 19869 1571 1 5 . 1 1 22 22 THR N N 22 118.813 118.813 119.437 -0.624 19869 1572 1 5 . 1 1 22 22 THR HA H 22 4.390 4.390 4.915 -0.525 19869 1573 1 5 . 1 1 22 22 THR CA C 22 63.230 63.230 62.032 1.198 19869 1574 1 5 . 1 1 22 22 THR CB C 22 69.380 69.380 68.317 1.063 19869 1575 1 5 . 1 1 22 22 THR H H 22 8.888 8.888 8.556 0.333 19869 1576 1 5 . 1 1 23 23 ILE N N 23 129.291 129.291 121.890 7.401 19869 1577 1 5 . 1 1 23 23 ILE HA H 23 4.268 4.268 4.738 -0.470 19869 1578 1 5 . 1 1 23 23 ILE CA C 23 59.121 59.121 58.809 0.312 19869 1579 1 5 . 1 1 23 23 ILE CB C 23 37.060 37.060 41.258 -4.198 19869 1580 1 5 . 1 1 23 23 ILE H H 23 9.212 9.212 9.135 0.077 19869 1581 1 5 . 1 1 24 24 VAL N N 24 127.112 127.112 120.790 6.322 19869 1582 1 5 . 1 1 24 24 VAL HA H 24 5.073 5.073 4.419 0.654 19869 1583 1 5 . 1 1 24 24 VAL CA C 24 60.246 60.246 62.876 -2.630 19869 1584 1 5 . 1 1 24 24 VAL CB C 24 33.415 33.415 31.302 2.113 19869 1585 1 5 . 1 1 24 24 VAL H H 24 8.345 8.345 8.414 -0.069 19869 1586 1 5 . 1 1 25 25 GLY N N 25 113.745 113.745 116.462 -2.717 19869 1587 1 5 . 1 1 25 25 GLY CA C 25 45.920 45.920 44.630 1.290 19869 1588 1 5 . 1 1 25 25 GLY H H 25 8.540 8.540 8.962 -0.422 19869 1589 1 5 . 1 1 26 26 ALA N N 26 123.321 123.321 124.265 -0.944 19869 1590 1 5 . 1 1 26 26 ALA HA H 26 4.644 4.644 4.417 0.227 19869 1591 1 5 . 1 1 26 26 ALA CA C 26 51.639 51.639 52.446 -0.806 19869 1592 1 5 . 1 1 26 26 ALA CB C 26 19.725 19.725 18.994 0.732 19869 1593 1 5 . 1 1 26 26 ALA H H 26 8.593 8.593 8.179 0.414 19869 1594 1 5 . 1 1 27 27 GLU N N 27 118.135 118.135 118.080 0.055 19869 1595 1 5 . 1 1 27 27 GLU HA H 27 4.302 4.302 4.470 -0.168 19869 1596 1 5 . 1 1 27 27 GLU CA C 27 55.670 55.670 54.741 0.929 19869 1597 1 5 . 1 1 27 27 GLU CB C 27 30.724 30.724 31.320 -0.596 19869 1598 1 5 . 1 1 27 27 GLU H H 27 8.120 8.120 7.697 0.423 19869 1599 1 5 . 1 1 28 28 SER N N 28 115.651 115.651 115.882 -0.231 19869 1600 1 5 . 1 1 28 28 SER HA H 28 4.700 4.700 4.681 0.019 19869 1601 1 5 . 1 1 28 28 SER CA C 28 56.044 56.044 57.203 -1.159 19869 1602 1 5 . 1 1 28 28 SER H H 28 8.723 8.723 8.620 0.103 19869 1603 1 5 . 1 1 29 29 PRO HA H 29 4.111 4.111 4.253 -0.142 19869 1604 1 5 . 1 1 29 29 PRO CA C 29 65.792 65.792 65.538 0.254 19869 1605 1 5 . 1 1 29 29 PRO CB C 29 31.750 31.750 31.738 0.012 19869 1606 1 5 . 1 1 30 30 ALA N N 30 117.252 117.252 117.962 -0.710 19869 1607 1 5 . 1 1 30 30 ALA HA H 30 4.028 4.028 4.338 -0.310 19869 1608 1 5 . 1 1 30 30 ALA CA C 30 55.258 55.258 53.821 1.437 19869 1609 1 5 . 1 1 30 30 ALA CB C 30 18.240 18.240 18.217 0.023 19869 1610 1 5 . 1 1 30 30 ALA H H 30 7.994 7.994 8.297 -0.303 19869 1611 1 5 . 1 1 31 31 HIS N N 31 119.161 119.161 119.915 -0.754 19869 1612 1 5 . 1 1 31 31 HIS HA H 31 4.278 4.278 4.430 -0.152 19869 1613 1 5 . 1 1 31 31 HIS CA C 31 59.697 59.697 59.991 -0.294 19869 1614 1 5 . 1 1 31 31 HIS CB C 31 30.320 30.320 30.865 -0.545 19869 1615 1 5 . 1 1 31 31 HIS H H 31 7.902 7.902 7.489 0.413 19869 1616 1 5 . 1 1 32 32 ILE N N 32 118.000 118.000 115.713 2.287 19869 1617 1 5 . 1 1 32 32 ILE HA H 32 3.478 3.478 3.930 -0.452 19869 1618 1 5 . 1 1 32 32 ILE CA C 32 63.480 63.480 64.488 -1.008 19869 1619 1 5 . 1 1 32 32 ILE CB C 32 36.290 36.290 37.558 -1.268 19869 1620 1 5 . 1 1 32 32 ILE H H 32 8.092 8.092 8.243 -0.151 19869 1621 1 5 . 1 1 33 33 ARG N N 33 118.612 118.612 118.923 -0.311 19869 1622 1 5 . 1 1 33 33 ARG HA H 33 3.911 3.911 4.193 -0.282 19869 1623 1 5 . 1 1 33 33 ARG CA C 33 60.741 60.741 59.020 1.721 19869 1624 1 5 . 1 1 33 33 ARG CB C 33 29.839 29.839 30.159 -0.320 19869 1625 1 5 . 1 1 33 33 ARG H H 33 8.436 8.436 8.231 0.205 19869 1626 1 5 . 1 1 34 34 LEU N N 34 122.935 122.935 118.537 4.398 19869 1627 1 5 . 1 1 34 34 LEU HA H 34 4.154 4.154 4.364 -0.210 19869 1628 1 5 . 1 1 34 34 LEU CA C 34 57.400 57.400 57.478 -0.078 19869 1629 1 5 . 1 1 34 34 LEU CB C 34 41.998 41.998 41.186 0.812 19869 1630 1 5 . 1 1 34 34 LEU H H 34 7.565 7.565 7.477 0.088 19869 1631 1 5 . 1 1 35 35 VAL N N 35 121.579 121.579 121.425 0.154 19869 1632 1 5 . 1 1 35 35 VAL HA H 35 3.333 3.333 3.517 -0.184 19869 1633 1 5 . 1 1 35 35 VAL CA C 35 66.440 66.440 67.372 -0.932 19869 1634 1 5 . 1 1 35 35 VAL CB C 35 31.149 31.149 30.793 0.356 19869 1635 1 5 . 1 1 35 35 VAL H H 35 8.414 8.414 7.509 0.905 19869 1636 1 5 . 1 1 36 36 ALA N N 36 121.368 121.368 121.220 0.148 19869 1637 1 5 . 1 1 36 36 ALA HA H 36 3.794 3.794 4.094 -0.300 19869 1638 1 5 . 1 1 36 36 ALA CA C 36 55.555 55.555 55.125 0.430 19869 1639 1 5 . 1 1 36 36 ALA CB C 36 18.310 18.310 17.980 0.330 19869 1640 1 5 . 1 1 36 36 ALA H H 36 8.791 8.791 7.990 0.801 19869 1641 1 5 . 1 1 37 37 ALA N N 37 119.373 119.373 121.264 -1.891 19869 1642 1 5 . 1 1 37 37 ALA HA H 37 4.305 4.305 4.058 0.247 19869 1643 1 5 . 1 1 37 37 ALA CA C 37 54.825 54.825 54.822 0.003 19869 1644 1 5 . 1 1 37 37 ALA CB C 37 18.020 18.020 18.502 -0.482 19869 1645 1 5 . 1 1 37 37 ALA H H 37 7.648 7.648 7.658 -0.010 19869 1646 1 5 . 1 1 38 38 PHE N N 38 120.906 120.906 119.793 1.113 19869 1647 1 5 . 1 1 38 38 PHE HA H 38 4.449 4.449 4.189 0.260 19869 1648 1 5 . 1 1 38 38 PHE CA C 38 61.148 61.148 61.758 -0.610 19869 1649 1 5 . 1 1 38 38 PHE CB C 38 39.350 39.350 39.632 -0.282 19869 1650 1 5 . 1 1 38 38 PHE H H 38 7.923 7.923 8.116 -0.193 19869 1651 1 5 . 1 1 39 39 VAL N N 39 119.731 119.731 118.393 1.338 19869 1652 1 5 . 1 1 39 39 VAL HA H 39 3.219 3.219 3.627 -0.408 19869 1653 1 5 . 1 1 39 39 VAL CA C 39 67.520 67.520 65.827 1.693 19869 1654 1 5 . 1 1 39 39 VAL CB C 39 32.059 32.059 30.867 1.192 19869 1655 1 5 . 1 1 39 39 VAL H H 39 8.482 8.482 7.835 0.647 19869 1656 1 5 . 1 1 40 40 ASP N N 40 120.200 120.200 120.384 -0.184 19869 1657 1 5 . 1 1 40 40 ASP HA H 40 4.449 4.449 4.443 0.006 19869 1658 1 5 . 1 1 40 40 ASP CA C 40 58.600 58.600 57.547 1.053 19869 1659 1 5 . 1 1 40 40 ASP CB C 40 43.300 43.300 41.133 2.167 19869 1660 1 5 . 1 1 40 40 ASP H H 40 8.851 8.851 8.544 0.307 19869 1661 1 5 . 1 1 41 41 ASP N N 41 120.967 120.967 120.195 0.772 19869 1662 1 5 . 1 1 41 41 ASP HA H 41 4.532 4.532 4.450 0.082 19869 1663 1 5 . 1 1 41 41 ASP CA C 41 57.860 57.860 56.688 1.172 19869 1664 1 5 . 1 1 41 41 ASP CB C 41 40.560 40.560 40.945 -0.385 19869 1665 1 5 . 1 1 41 41 ASP H H 41 8.743 8.743 7.709 1.034 19869 1666 1 5 . 1 1 42 42 LYS N N 42 120.600 120.600 120.338 0.262 19869 1667 1 5 . 1 1 42 42 LYS HA H 42 3.967 3.967 4.274 -0.307 19869 1668 1 5 . 1 1 42 42 LYS CA C 42 57.880 57.880 58.490 -0.610 19869 1669 1 5 . 1 1 42 42 LYS CB C 42 31.440 31.440 32.308 -0.868 19869 1670 1 5 . 1 1 42 42 LYS H H 42 7.990 7.990 7.350 0.640 19869 1671 1 5 . 1 1 43 43 MET N N 43 119.600 119.600 114.572 5.028 19869 1672 1 5 . 1 1 43 43 MET HA H 43 3.957 3.957 4.394 -0.437 19869 1673 1 5 . 1 1 43 43 MET CA C 43 55.600 55.600 59.055 -3.455 19869 1674 1 5 . 1 1 43 43 MET CB C 43 33.950 33.950 32.003 1.947 19869 1675 1 5 . 1 1 43 43 MET H H 43 8.844 8.844 7.917 0.927 19869 1676 1 5 . 1 1 44 44 HIS N N 44 115.981 115.981 120.584 -4.603 19869 1677 1 5 . 1 1 44 44 HIS HA H 44 4.408 4.408 4.383 0.025 19869 1678 1 5 . 1 1 44 44 HIS CA C 44 61.250 61.250 61.348 -0.098 19869 1679 1 5 . 1 1 44 44 HIS CB C 44 28.045 28.045 30.167 -2.122 19869 1680 1 5 . 1 1 44 44 HIS H H 44 8.296 8.296 7.930 0.366 19869 1681 1 5 . 1 1 45 45 GLU N N 45 122.501 122.501 118.360 4.141 19869 1682 1 5 . 1 1 45 45 GLU HA H 45 4.034 4.034 4.156 -0.122 19869 1683 1 5 . 1 1 45 45 GLU CA C 45 59.580 59.580 58.777 0.803 19869 1684 1 5 . 1 1 45 45 GLU CB C 45 29.533 29.533 28.975 0.558 19869 1685 1 5 . 1 1 45 45 GLU H H 45 8.399 8.399 8.219 0.180 19869 1686 1 5 . 1 1 46 46 PHE N N 46 118.451 118.451 118.687 -0.236 19869 1687 1 5 . 1 1 46 46 PHE HA H 46 4.183 4.183 4.568 -0.385 19869 1688 1 5 . 1 1 46 46 PHE CA C 46 61.689 61.689 59.851 1.838 19869 1689 1 5 . 1 1 46 46 PHE CB C 46 38.979 38.979 40.052 -1.073 19869 1690 1 5 . 1 1 46 46 PHE H H 46 8.320 8.320 7.489 0.831 19869 1691 1 5 . 1 1 47 47 SER N N 47 114.878 114.878 115.553 -0.675 19869 1692 1 5 . 1 1 47 47 SER HA H 47 4.111 4.111 4.234 -0.123 19869 1693 1 5 . 1 1 47 47 SER CA C 47 60.281 60.281 61.886 -1.605 19869 1694 1 5 . 1 1 47 47 SER CB C 47 63.321 63.321 63.066 0.255 19869 1695 1 5 . 1 1 47 47 SER H H 47 8.278 8.278 8.374 -0.096 19869 1696 1 5 . 1 1 48 48 GLU N N 48 118.579 118.579 118.876 -0.297 19869 1697 1 5 . 1 1 48 48 GLU HA H 48 4.059 4.059 4.275 -0.216 19869 1698 1 5 . 1 1 48 48 GLU CA C 48 58.641 58.641 58.407 0.234 19869 1699 1 5 . 1 1 48 48 GLU CB C 48 29.720 29.720 29.285 0.435 19869 1700 1 5 . 1 1 48 48 GLU H H 48 7.651 7.651 7.864 -0.213 19869 1701 1 5 . 1 1 49 49 LYS N N 49 116.048 116.048 117.671 -1.623 19869 1702 1 5 . 1 1 49 49 LYS HA H 49 4.211 4.211 4.253 -0.042 19869 1703 1 5 . 1 1 49 49 LYS CA C 49 57.580 57.580 56.031 1.549 19869 1704 1 5 . 1 1 49 49 LYS CB C 49 33.450 33.450 32.739 0.711 19869 1705 1 5 . 1 1 49 49 LYS H H 49 7.281 7.281 7.541 -0.260 19869 1706 1 5 . 1 1 50 50 GLN N N 50 117.953 117.953 115.969 1.984 19869 1707 1 5 . 1 1 50 50 GLN HA H 50 4.249 4.249 4.137 0.112 19869 1708 1 5 . 1 1 50 50 GLN CA C 50 55.610 55.610 55.629 -0.019 19869 1709 1 5 . 1 1 50 50 GLN CB C 50 30.050 30.050 26.975 3.075 19869 1710 1 5 . 1 1 50 50 GLN H H 50 7.930 7.930 7.894 0.036 19869 1711 1 5 . 1 1 51 51 PRO HA H 51 4.597 4.597 4.295 0.302 19869 1712 1 5 . 1 1 51 51 PRO CA C 51 63.600 63.600 65.189 -1.589 19869 1713 1 5 . 1 1 51 51 PRO CB C 51 32.522 32.522 32.002 0.520 19869 1714 1 5 . 1 1 52 52 MET N N 52 115.230 115.230 115.971 -0.741 19869 1715 1 5 . 1 1 52 52 MET HA H 52 4.513 4.513 4.683 -0.170 19869 1716 1 5 . 1 1 52 52 MET CA C 52 55.505 55.505 54.400 1.105 19869 1717 1 5 . 1 1 52 52 MET CB C 52 30.920 30.920 32.342 -1.422 19869 1718 1 5 . 1 1 52 52 MET H H 52 8.558 8.558 7.937 0.621 19869 1719 1 5 . 1 1 53 53 LEU N N 53 120.540 120.540 119.589 0.951 19869 1720 1 5 . 1 1 53 53 LEU HA H 53 4.252 4.252 3.984 0.268 19869 1721 1 5 . 1 1 53 53 LEU CA C 53 55.690 55.690 55.306 0.384 19869 1722 1 5 . 1 1 53 53 LEU CB C 53 42.728 42.728 41.109 1.619 19869 1723 1 5 . 1 1 53 53 LEU H H 53 7.557 7.557 7.796 -0.239 19869 1724 1 5 . 1 1 54 54 ASP N N 54 121.294 121.294 120.753 0.541 19869 1725 1 5 . 1 1 54 54 ASP HA H 54 4.640 4.640 4.713 -0.073 19869 1726 1 5 . 1 1 54 54 ASP CA C 54 52.280 52.280 53.206 -0.926 19869 1727 1 5 . 1 1 54 54 ASP CB C 54 41.330 41.330 42.847 -1.517 19869 1728 1 5 . 1 1 54 54 ASP H H 54 7.941 7.941 7.862 0.079 19869 1729 1 5 . 1 1 55 55 VAL N N 55 118.701 118.701 125.752 -7.051 19869 1730 1 5 . 1 1 55 55 VAL HA H 55 4.277 4.277 3.951 0.326 19869 1731 1 5 . 1 1 55 55 VAL CA C 55 62.510 62.510 66.622 -4.112 19869 1732 1 5 . 1 1 55 55 VAL CB C 55 29.900 29.900 29.527 0.373 19869 1733 1 5 . 1 1 55 55 VAL H H 55 8.444 8.444 8.473 -0.029 19869 1734 1 5 . 1 1 56 56 PRO HA H 56 3.981 3.981 4.221 -0.240 19869 1735 1 5 . 1 1 56 56 PRO CA C 56 66.840 66.840 66.005 0.835 19869 1736 1 5 . 1 1 56 56 PRO CB C 56 30.875 30.875 30.961 -0.086 19869 1737 1 5 . 1 1 57 57 LYS N N 57 114.335 114.335 117.563 -3.228 19869 1738 1 5 . 1 1 57 57 LYS HA H 57 4.213 4.213 4.107 0.106 19869 1739 1 5 . 1 1 57 57 LYS CA C 57 60.027 60.027 58.567 1.460 19869 1740 1 5 . 1 1 57 57 LYS CB C 57 33.700 33.700 31.656 2.044 19869 1741 1 5 . 1 1 57 57 LYS H H 57 7.224 7.224 8.033 -0.809 19869 1742 1 5 . 1 1 58 58 LEU N N 58 119.010 119.010 120.839 -1.829 19869 1743 1 5 . 1 1 58 58 LEU HA H 58 3.714 3.714 4.031 -0.317 19869 1744 1 5 . 1 1 58 58 LEU CA C 58 57.900 57.900 57.150 0.750 19869 1745 1 5 . 1 1 58 58 LEU CB C 58 42.966 42.966 40.955 2.011 19869 1746 1 5 . 1 1 58 58 LEU H H 58 8.369 8.369 7.693 0.676 19869 1747 1 5 . 1 1 59 59 ALA N N 59 122.559 122.559 122.357 0.202 19869 1748 1 5 . 1 1 59 59 ALA HA H 59 3.720 3.720 3.858 -0.138 19869 1749 1 5 . 1 1 59 59 ALA CA C 59 55.510 55.510 55.049 0.461 19869 1750 1 5 . 1 1 59 59 ALA CB C 59 19.020 19.020 18.213 0.807 19869 1751 1 5 . 1 1 59 59 ALA H H 59 8.686 8.686 8.167 0.519 19869 1752 1 5 . 1 1 60 60 VAL N N 60 118.664 118.664 118.902 -0.238 19869 1753 1 5 . 1 1 60 60 VAL HA H 60 3.251 3.251 3.707 -0.456 19869 1754 1 5 . 1 1 60 60 VAL CA C 60 67.397 67.397 65.577 1.820 19869 1755 1 5 . 1 1 60 60 VAL CB C 60 31.340 31.340 31.980 -0.640 19869 1756 1 5 . 1 1 60 60 VAL H H 60 7.777 7.777 7.689 0.088 19869 1757 1 5 . 1 1 61 61 LEU N N 61 118.415 118.415 118.837 -0.422 19869 1758 1 5 . 1 1 61 61 LEU HA H 61 3.553 3.553 3.939 -0.386 19869 1759 1 5 . 1 1 61 61 LEU CA C 61 58.150 58.150 57.689 0.461 19869 1760 1 5 . 1 1 61 61 LEU CB C 61 40.340 40.340 41.386 -1.046 19869 1761 1 5 . 1 1 61 61 LEU H H 61 8.328 8.328 7.375 0.953 19869 1762 1 5 . 1 1 62 62 THR N N 62 117.416 117.416 111.513 5.903 19869 1763 1 5 . 1 1 62 62 THR HA H 62 4.130 4.130 3.893 0.237 19869 1764 1 5 . 1 1 62 62 THR CA C 62 67.220 67.220 65.427 1.793 19869 1765 1 5 . 1 1 62 62 THR CB C 62 68.364 68.364 68.605 -0.241 19869 1766 1 5 . 1 1 62 62 THR H H 62 7.787 7.787 7.305 0.482 19869 1767 1 5 . 1 1 63 63 ALA N N 63 124.319 124.319 125.032 -0.713 19869 1768 1 5 . 1 1 63 63 ALA HA H 63 3.746 3.746 4.051 -0.305 19869 1769 1 5 . 1 1 63 63 ALA CA C 63 56.243 56.243 55.154 1.089 19869 1770 1 5 . 1 1 63 63 ALA CB C 63 17.121 17.121 17.972 -0.851 19869 1771 1 5 . 1 1 63 63 ALA H H 63 8.175 8.175 7.421 0.754 19869 1772 1 5 . 1 1 64 64 VAL N N 64 116.756 116.756 118.436 -1.680 19869 1773 1 5 . 1 1 64 64 VAL HA H 64 3.324 3.324 3.650 -0.326 19869 1774 1 5 . 1 1 64 64 VAL CA C 64 66.543 66.543 65.577 0.966 19869 1775 1 5 . 1 1 64 64 VAL CB C 64 31.340 31.340 31.674 -0.334 19869 1776 1 5 . 1 1 64 64 VAL H H 64 8.422 8.422 7.525 0.897 19869 1777 1 5 . 1 1 65 65 GLN N N 65 120.091 120.091 120.283 -0.192 19869 1778 1 5 . 1 1 65 65 GLN HA H 65 4.015 4.015 4.102 -0.087 19869 1779 1 5 . 1 1 65 65 GLN CA C 65 59.290 59.290 58.951 0.339 19869 1780 1 5 . 1 1 65 65 GLN CB C 65 28.450 28.450 28.689 -0.239 19869 1781 1 5 . 1 1 65 65 GLN H H 65 7.924 7.924 7.367 0.557 19869 1782 1 5 . 1 1 66 66 ILE N N 66 118.358 118.358 120.410 -2.052 19869 1783 1 5 . 1 1 66 66 ILE HA H 66 3.526 3.526 3.952 -0.426 19869 1784 1 5 . 1 1 66 66 ILE CA C 66 65.305 65.305 65.436 -0.132 19869 1785 1 5 . 1 1 66 66 ILE H H 66 8.441 8.441 8.621 -0.180 19869 1786 1 5 . 1 1 67 67 ALA N N 67 121.518 121.518 121.379 0.139 19869 1787 1 5 . 1 1 67 67 ALA HA H 67 4.025 4.025 3.988 0.037 19869 1788 1 5 . 1 1 67 67 ALA CA C 67 55.501 55.501 55.444 0.057 19869 1789 1 5 . 1 1 67 67 ALA CB C 67 19.668 19.668 17.879 1.789 19869 1790 1 5 . 1 1 67 67 ALA H H 67 8.947 8.947 8.248 0.699 19869 1791 1 5 . 1 1 68 68 SER N N 68 112.523 112.523 114.233 -1.710 19869 1792 1 5 . 1 1 68 68 SER HA H 68 4.174 4.174 4.125 0.049 19869 1793 1 5 . 1 1 68 68 SER CA C 68 61.429 61.429 61.762 -0.333 19869 1794 1 5 . 1 1 68 68 SER CB C 68 63.011 63.011 63.005 0.006 19869 1795 1 5 . 1 1 68 68 SER H H 68 8.492 8.492 8.135 0.357 19869 1796 1 5 . 1 1 69 69 GLU N N 69 117.397 117.397 121.992 -4.595 19869 1797 1 5 . 1 1 69 69 GLU HA H 69 3.998 3.998 4.071 -0.073 19869 1798 1 5 . 1 1 69 69 GLU CA C 69 59.181 59.181 59.342 -0.161 19869 1799 1 5 . 1 1 69 69 GLU CB C 69 28.760 28.760 29.771 -1.011 19869 1800 1 5 . 1 1 69 69 GLU H H 69 7.579 7.579 7.876 -0.297 19869 1801 1 5 . 1 1 70 70 TYR N N 70 120.853 120.853 119.599 1.254 19869 1802 1 5 . 1 1 70 70 TYR HA H 70 4.352 4.352 4.276 0.076 19869 1803 1 5 . 1 1 70 70 TYR CA C 70 60.530 60.530 61.698 -1.168 19869 1804 1 5 . 1 1 70 70 TYR CB C 70 38.480 38.480 38.641 -0.161 19869 1805 1 5 . 1 1 70 70 TYR H H 70 8.635 8.635 8.307 0.328 19869 1806 1 5 . 1 1 71 71 LEU N N 71 119.400 119.400 118.977 0.423 19869 1807 1 5 . 1 1 71 71 LEU HA H 71 3.554 3.554 3.989 -0.435 19869 1808 1 5 . 1 1 71 71 LEU CA C 71 58.368 58.368 58.151 0.217 19869 1809 1 5 . 1 1 71 71 LEU CB C 71 40.564 40.564 41.777 -1.213 19869 1810 1 5 . 1 1 71 71 LEU H H 71 8.836 8.836 8.585 0.251 19869 1811 1 5 . 1 1 72 72 LYS N N 72 119.127 119.127 117.493 1.634 19869 1812 1 5 . 1 1 72 72 LYS HA H 72 4.095 4.095 4.072 0.023 19869 1813 1 5 . 1 1 72 72 LYS CA C 72 59.780 59.780 58.816 0.964 19869 1814 1 5 . 1 1 72 72 LYS CB C 72 32.640 32.640 32.013 0.627 19869 1815 1 5 . 1 1 72 72 LYS H H 72 7.957 7.957 7.567 0.390 19869 1816 1 5 . 1 1 73 73 LEU N N 73 122.487 122.487 121.384 1.103 19869 1817 1 5 . 1 1 73 73 LEU HA H 73 4.127 4.127 4.266 -0.139 19869 1818 1 5 . 1 1 73 73 LEU CA C 73 57.340 57.340 57.806 -0.466 19869 1819 1 5 . 1 1 73 73 LEU CB C 73 41.020 41.020 41.759 -0.739 19869 1820 1 5 . 1 1 73 73 LEU H H 73 8.033 8.033 7.744 0.289 19869 1821 1 5 . 1 1 74 74 LYS N N 74 120.309 120.309 117.687 2.622 19869 1822 1 5 . 1 1 74 74 LYS HA H 74 3.759 3.759 4.147 -0.388 19869 1823 1 5 . 1 1 74 74 LYS CA C 74 60.700 60.700 59.207 1.493 19869 1824 1 5 . 1 1 74 74 LYS CB C 74 32.140 32.140 32.047 0.093 19869 1825 1 5 . 1 1 74 74 LYS H H 74 8.750 8.750 7.585 1.165 19869 1826 1 5 . 1 1 75 75 GLU N N 75 118.296 118.296 120.539 -2.243 19869 1827 1 5 . 1 1 75 75 GLU HA H 75 4.098 4.098 4.133 -0.035 19869 1828 1 5 . 1 1 75 75 GLU CA C 75 59.330 59.330 58.926 0.404 19869 1829 1 5 . 1 1 75 75 GLU CB C 75 29.500 29.500 29.566 -0.066 19869 1830 1 5 . 1 1 75 75 GLU H H 75 7.274 7.274 7.937 -0.663 19869 1831 1 5 . 1 1 76 76 GLU N N 76 120.788 120.788 119.563 1.225 19869 1832 1 5 . 1 1 76 76 GLU HA H 76 4.152 4.152 4.025 0.127 19869 1833 1 5 . 1 1 76 76 GLU CA C 76 59.082 59.082 59.146 -0.064 19869 1834 1 5 . 1 1 76 76 GLU CB C 76 29.235 29.235 29.024 0.211 19869 1835 1 5 . 1 1 76 76 GLU H H 76 7.756 7.756 7.860 -0.104 19869 1836 1 5 . 1 1 77 77 TYR N N 77 121.399 121.399 122.119 -0.720 19869 1837 1 5 . 1 1 77 77 TYR HA H 77 4.210 4.210 4.147 0.063 19869 1838 1 5 . 1 1 77 77 TYR CA C 77 61.704 61.704 60.550 1.154 19869 1839 1 5 . 1 1 77 77 TYR CB C 77 38.889 38.889 38.173 0.716 19869 1840 1 5 . 1 1 77 77 TYR H H 77 9.401 9.401 7.654 1.747 19869 1841 1 5 . 1 1 78 78 GLN N N 78 118.068 118.068 117.114 0.954 19869 1842 1 5 . 1 1 78 78 GLN HA H 78 3.784 3.784 3.801 -0.017 19869 1843 1 5 . 1 1 78 78 GLN CA C 78 58.915 58.915 58.697 0.218 19869 1844 1 5 . 1 1 78 78 GLN CB C 78 27.880 27.880 27.893 -0.013 19869 1845 1 5 . 1 1 78 78 GLN H H 78 8.169 8.169 7.894 0.275 19869 1846 1 5 . 1 1 79 79 ARG N N 79 118.446 118.446 121.284 -2.838 19869 1847 1 5 . 1 1 79 79 ARG HA H 79 4.045 4.045 4.343 -0.298 19869 1848 1 5 . 1 1 79 79 ARG CA C 79 59.310 59.310 57.952 1.358 19869 1849 1 5 . 1 1 79 79 ARG CB C 79 30.220 30.220 29.669 0.550 19869 1850 1 5 . 1 1 79 79 ARG H H 79 7.814 7.814 7.477 0.337 19869 1851 1 5 . 1 1 80 80 LEU N N 80 121.039 121.039 120.323 0.716 19869 1852 1 5 . 1 1 80 80 LEU HA H 80 4.130 4.130 4.080 0.050 19869 1853 1 5 . 1 1 80 80 LEU CA C 80 57.689 57.689 58.055 -0.366 19869 1854 1 5 . 1 1 80 80 LEU CB C 80 41.670 41.670 41.927 -0.257 19869 1855 1 5 . 1 1 80 80 LEU H H 80 7.989 7.989 8.435 -0.446 19869 1856 1 5 . 1 1 81 81 ARG N N 81 117.498 117.498 118.064 -0.566 19869 1857 1 5 . 1 1 81 81 ARG HA H 81 3.717 3.717 3.926 -0.209 19869 1858 1 5 . 1 1 81 81 ARG CA C 81 59.030 59.030 59.595 -0.565 19869 1859 1 5 . 1 1 81 81 ARG CB C 81 29.500 29.500 29.975 -0.475 19869 1860 1 5 . 1 1 81 81 ARG H H 81 8.241 8.241 8.081 0.160 19869 1861 1 5 . 1 1 82 82 GLU N N 82 117.300 117.300 118.935 -1.635 19869 1862 1 5 . 1 1 82 82 GLU HA H 82 4.060 4.060 4.083 -0.023 19869 1863 1 5 . 1 1 82 82 GLU CA C 82 58.205 58.205 58.617 -0.411 19869 1864 1 5 . 1 1 82 82 GLU CB C 82 29.539 29.539 28.893 0.646 19869 1865 1 5 . 1 1 82 82 GLU H H 82 7.671 7.671 8.050 -0.379 19869 1866 1 5 . 1 1 83 83 GLN N N 83 117.205 117.205 118.939 -1.734 19869 1867 1 5 . 1 1 83 83 GLN HA H 83 4.192 4.192 4.105 0.087 19869 1868 1 5 . 1 1 83 83 GLN CA C 83 56.940 56.940 58.340 -1.400 19869 1869 1 5 . 1 1 83 83 GLN CB C 83 29.110 29.110 28.701 0.409 19869 1870 1 5 . 1 1 83 83 GLN H H 83 7.745 7.745 7.834 -0.089 19869 1871 1 5 . 1 1 84 84 LEU N N 84 120.465 120.465 119.495 0.970 19869 1872 1 5 . 1 1 84 84 LEU HA H 84 4.301 4.301 4.224 0.077 19869 1873 1 5 . 1 1 84 84 LEU CA C 84 55.180 55.180 56.809 -1.629 19869 1874 1 5 . 1 1 84 84 LEU CB C 84 42.190 42.190 42.250 -0.060 19869 1875 1 5 . 1 1 84 84 LEU H H 84 7.500 7.500 7.362 0.138 19869 1876 1 5 . 1 1 85 85 LYS N N 85 126.524 126.524 117.005 9.519 19869 1877 1 5 . 1 1 85 85 LYS HA H 85 4.063 4.063 4.263 -0.200 19869 1878 1 5 . 1 1 85 85 LYS CA C 85 57.499 57.499 56.067 1.432 19869 1879 1 5 . 1 1 85 85 LYS CB C 85 33.640 33.640 32.998 0.642 19869 1880 1 5 . 1 1 85 85 LYS H H 85 7.525 7.525 7.567 -0.042 19869 1881 1 6 . 1 1 8 8 PRO HA H 8 4.396 4.396 4.589 -0.193 19869 1882 1 6 . 1 1 8 8 PRO CA C 8 63.046 63.046 62.331 0.715 19869 1883 1 6 . 1 1 8 8 PRO CB C 8 32.151 32.151 33.247 -1.096 19869 1884 1 6 . 1 1 9 9 LYS N N 9 121.282 121.282 120.406 0.876 19869 1885 1 6 . 1 1 9 9 LYS HA H 9 4.373 4.373 4.251 0.122 19869 1886 1 6 . 1 1 9 9 LYS CA C 9 56.140 56.140 56.203 -0.063 19869 1887 1 6 . 1 1 9 9 LYS CB C 9 33.680 33.680 30.909 2.771 19869 1888 1 6 . 1 1 9 9 LYS H H 9 8.363 8.363 8.441 -0.078 19869 1889 1 6 . 1 1 10 10 THR N N 10 117.787 117.787 117.577 0.210 19869 1890 1 6 . 1 1 10 10 THR HA H 10 4.357 4.357 4.339 0.018 19869 1891 1 6 . 1 1 10 10 THR CA C 10 61.620 61.620 61.588 0.032 19869 1892 1 6 . 1 1 10 10 THR CB C 10 70.393 70.393 70.312 0.081 19869 1893 1 6 . 1 1 10 10 THR H H 10 8.675 8.675 8.101 0.574 19869 1894 1 6 . 1 1 11 11 ARG N N 11 123.980 123.980 123.477 0.503 19869 1895 1 6 . 1 1 11 11 ARG HA H 11 5.043 5.043 5.321 -0.278 19869 1896 1 6 . 1 1 11 11 ARG CA C 11 55.142 55.142 54.730 0.412 19869 1897 1 6 . 1 1 11 11 ARG CB C 11 32.130 32.130 32.488 -0.358 19869 1898 1 6 . 1 1 11 11 ARG H H 11 8.322 8.322 8.415 -0.093 19869 1899 1 6 . 1 1 12 12 VAL N N 12 124.311 124.311 122.251 2.060 19869 1900 1 6 . 1 1 12 12 VAL HA H 12 4.410 4.410 4.463 -0.053 19869 1901 1 6 . 1 1 12 12 VAL CA C 12 60.866 60.866 60.197 0.669 19869 1902 1 6 . 1 1 12 12 VAL CB C 12 35.447 35.447 36.029 -0.582 19869 1903 1 6 . 1 1 12 12 VAL H H 12 8.853 8.853 9.055 -0.202 19869 1904 1 6 . 1 1 13 13 SER N N 13 122.286 122.286 124.719 -2.433 19869 1905 1 6 . 1 1 13 13 SER HA H 13 5.435 5.435 5.286 0.149 19869 1906 1 6 . 1 1 13 13 SER CA C 13 57.199 57.199 57.766 -0.567 19869 1907 1 6 . 1 1 13 13 SER CB C 13 63.535 63.535 63.577 -0.042 19869 1908 1 6 . 1 1 13 13 SER H H 13 8.581 8.581 8.762 -0.181 19869 1909 1 6 . 1 1 14 14 VAL N N 14 119.340 119.340 120.162 -0.822 19869 1910 1 6 . 1 1 14 14 VAL HA H 14 4.491 4.491 4.618 -0.127 19869 1911 1 6 . 1 1 14 14 VAL CA C 14 56.271 56.271 59.138 -2.867 19869 1912 1 6 . 1 1 14 14 VAL CB C 14 35.709 35.709 34.429 1.280 19869 1913 1 6 . 1 1 14 14 VAL H H 14 9.154 9.154 9.059 0.095 19869 1914 1 6 . 1 1 15 15 ARG N N 15 123.689 123.689 122.634 1.055 19869 1915 1 6 . 1 1 15 15 ARG HA H 15 5.333 5.333 5.178 0.155 19869 1916 1 6 . 1 1 15 15 ARG CA C 15 54.830 54.830 55.327 -0.497 19869 1917 1 6 . 1 1 15 15 ARG CB C 15 31.780 31.780 31.407 0.373 19869 1918 1 6 . 1 1 15 15 ARG H H 15 8.467 8.467 8.506 -0.039 19869 1919 1 6 . 1 1 16 16 ILE N N 16 125.117 125.117 125.968 -0.851 19869 1920 1 6 . 1 1 16 16 ILE HA H 16 4.189 4.189 4.440 -0.251 19869 1921 1 6 . 1 1 16 16 ILE CA C 16 61.240 61.240 60.984 0.256 19869 1922 1 6 . 1 1 16 16 ILE CB C 16 41.680 41.680 41.384 0.296 19869 1923 1 6 . 1 1 16 16 ILE H H 16 9.174 9.174 9.245 -0.071 19869 1924 1 6 . 1 1 17 17 TYR N N 17 137.064 137.064 129.421 7.643 19869 1925 1 6 . 1 1 17 17 TYR HA H 17 3.836 3.836 4.209 -0.373 19869 1926 1 6 . 1 1 17 17 TYR CA C 17 59.876 59.876 59.508 0.368 19869 1927 1 6 . 1 1 17 17 TYR CB C 17 39.379 39.379 36.544 2.835 19869 1928 1 6 . 1 1 17 17 TYR H H 17 10.623 10.623 10.158 0.465 19869 1929 1 6 . 1 1 18 18 GLY N N 18 102.991 102.991 104.949 -1.958 19869 1930 1 6 . 1 1 18 18 GLY CA C 18 45.674 45.674 45.146 0.528 19869 1931 1 6 . 1 1 18 18 GLY H H 18 8.604 8.604 8.818 -0.214 19869 1932 1 6 . 1 1 19 19 GLN N N 19 119.104 119.104 119.334 -0.230 19869 1933 1 6 . 1 1 19 19 GLN HA H 19 4.566 4.566 4.529 0.037 19869 1934 1 6 . 1 1 19 19 GLN CA C 19 53.719 53.719 53.971 -0.252 19869 1935 1 6 . 1 1 19 19 GLN CB C 19 32.230 32.230 32.029 0.201 19869 1936 1 6 . 1 1 19 19 GLN H H 19 7.724 7.724 7.789 -0.065 19869 1937 1 6 . 1 1 20 20 ASP N N 20 121.913 121.913 120.147 1.766 19869 1938 1 6 . 1 1 20 20 ASP HA H 20 5.340 5.340 5.344 -0.004 19869 1939 1 6 . 1 1 20 20 ASP CA C 20 54.370 54.370 52.972 1.398 19869 1940 1 6 . 1 1 20 20 ASP CB C 20 42.600 42.600 41.839 0.761 19869 1941 1 6 . 1 1 20 20 ASP H H 20 8.217 8.217 8.292 -0.075 19869 1942 1 6 . 1 1 21 21 TYR N N 21 120.801 120.801 121.295 -0.494 19869 1943 1 6 . 1 1 21 21 TYR HA H 21 4.538 4.538 4.728 -0.190 19869 1944 1 6 . 1 1 21 21 TYR CA C 21 57.640 57.640 57.035 0.605 19869 1945 1 6 . 1 1 21 21 TYR CB C 21 42.201 42.201 42.378 -0.177 19869 1946 1 6 . 1 1 21 21 TYR H H 21 9.330 9.330 9.040 0.290 19869 1947 1 6 . 1 1 22 22 THR N N 22 118.813 118.813 121.452 -2.639 19869 1948 1 6 . 1 1 22 22 THR HA H 22 4.390 4.390 5.390 -1.000 19869 1949 1 6 . 1 1 22 22 THR CA C 22 63.230 63.230 61.682 1.548 19869 1950 1 6 . 1 1 22 22 THR CB C 22 69.380 69.380 69.534 -0.154 19869 1951 1 6 . 1 1 22 22 THR H H 22 8.888 8.888 8.547 0.341 19869 1952 1 6 . 1 1 23 23 ILE N N 23 129.291 129.291 122.867 6.424 19869 1953 1 6 . 1 1 23 23 ILE HA H 23 4.268 4.268 4.795 -0.527 19869 1954 1 6 . 1 1 23 23 ILE CA C 23 59.121 59.121 58.850 0.271 19869 1955 1 6 . 1 1 23 23 ILE CB C 23 37.060 37.060 40.314 -3.254 19869 1956 1 6 . 1 1 23 23 ILE H H 23 9.212 9.212 9.164 0.048 19869 1957 1 6 . 1 1 24 24 VAL N N 24 127.112 127.112 120.080 7.032 19869 1958 1 6 . 1 1 24 24 VAL HA H 24 5.073 5.073 4.596 0.477 19869 1959 1 6 . 1 1 24 24 VAL CA C 24 60.246 60.246 62.436 -2.190 19869 1960 1 6 . 1 1 24 24 VAL CB C 24 33.415 33.415 31.817 1.598 19869 1961 1 6 . 1 1 24 24 VAL H H 24 8.345 8.345 8.448 -0.103 19869 1962 1 6 . 1 1 25 25 GLY N N 25 113.745 113.745 116.265 -2.520 19869 1963 1 6 . 1 1 25 25 GLY CA C 25 45.920 45.920 44.435 1.485 19869 1964 1 6 . 1 1 25 25 GLY H H 25 8.540 8.540 8.846 -0.306 19869 1965 1 6 . 1 1 26 26 ALA N N 26 123.321 123.321 126.746 -3.425 19869 1966 1 6 . 1 1 26 26 ALA HA H 26 4.644 4.644 4.501 0.143 19869 1967 1 6 . 1 1 26 26 ALA CA C 26 51.639 51.639 52.608 -0.969 19869 1968 1 6 . 1 1 26 26 ALA CB C 26 19.725 19.725 18.934 0.791 19869 1969 1 6 . 1 1 26 26 ALA H H 26 8.593 8.593 7.947 0.646 19869 1970 1 6 . 1 1 27 27 GLU N N 27 118.135 118.135 119.392 -1.257 19869 1971 1 6 . 1 1 27 27 GLU HA H 27 4.302 4.302 4.242 0.060 19869 1972 1 6 . 1 1 27 27 GLU CA C 27 55.670 55.670 57.530 -1.860 19869 1973 1 6 . 1 1 27 27 GLU CB C 27 30.724 30.724 30.224 0.500 19869 1974 1 6 . 1 1 27 27 GLU H H 27 8.120 8.120 8.674 -0.554 19869 1975 1 6 . 1 1 28 28 SER N N 28 115.651 115.651 111.297 4.354 19869 1976 1 6 . 1 1 28 28 SER HA H 28 4.700 4.700 4.762 -0.062 19869 1977 1 6 . 1 1 28 28 SER CA C 28 56.044 56.044 56.749 -0.706 19869 1978 1 6 . 1 1 28 28 SER H H 28 8.723 8.723 7.741 0.982 19869 1979 1 6 . 1 1 29 29 PRO HA H 29 4.111 4.111 4.335 -0.224 19869 1980 1 6 . 1 1 29 29 PRO CA C 29 65.792 65.792 65.296 0.496 19869 1981 1 6 . 1 1 29 29 PRO CB C 29 31.750 31.750 31.861 -0.111 19869 1982 1 6 . 1 1 30 30 ALA N N 30 117.252 117.252 119.264 -2.012 19869 1983 1 6 . 1 1 30 30 ALA HA H 30 4.028 4.028 4.116 -0.088 19869 1984 1 6 . 1 1 30 30 ALA CA C 30 55.258 55.258 54.825 0.433 19869 1985 1 6 . 1 1 30 30 ALA CB C 30 18.240 18.240 18.157 0.083 19869 1986 1 6 . 1 1 30 30 ALA H H 30 7.994 7.994 8.333 -0.339 19869 1987 1 6 . 1 1 31 31 HIS N N 31 119.161 119.161 118.479 0.682 19869 1988 1 6 . 1 1 31 31 HIS HA H 31 4.278 4.278 4.269 0.009 19869 1989 1 6 . 1 1 31 31 HIS CA C 31 59.697 59.697 60.039 -0.342 19869 1990 1 6 . 1 1 31 31 HIS CB C 31 30.320 30.320 30.013 0.307 19869 1991 1 6 . 1 1 31 31 HIS H H 31 7.902 7.902 7.799 0.103 19869 1992 1 6 . 1 1 32 32 ILE N N 32 118.000 118.000 115.937 2.063 19869 1993 1 6 . 1 1 32 32 ILE HA H 32 3.478 3.478 3.831 -0.353 19869 1994 1 6 . 1 1 32 32 ILE CA C 32 63.480 63.480 64.055 -0.575 19869 1995 1 6 . 1 1 32 32 ILE CB C 32 36.290 36.290 37.882 -1.592 19869 1996 1 6 . 1 1 32 32 ILE H H 32 8.092 8.092 8.035 0.057 19869 1997 1 6 . 1 1 33 33 ARG N N 33 118.612 118.612 120.303 -1.691 19869 1998 1 6 . 1 1 33 33 ARG HA H 33 3.911 3.911 4.164 -0.253 19869 1999 1 6 . 1 1 33 33 ARG CA C 33 60.741 60.741 58.819 1.922 19869 2000 1 6 . 1 1 33 33 ARG CB C 33 29.839 29.839 29.980 -0.141 19869 2001 1 6 . 1 1 33 33 ARG H H 33 8.436 8.436 7.930 0.506 19869 2002 1 6 . 1 1 34 34 LEU N N 34 122.935 122.935 117.696 5.239 19869 2003 1 6 . 1 1 34 34 LEU HA H 34 4.154 4.154 4.398 -0.244 19869 2004 1 6 . 1 1 34 34 LEU CA C 34 57.400 57.400 57.516 -0.116 19869 2005 1 6 . 1 1 34 34 LEU CB C 34 41.998 41.998 41.444 0.554 19869 2006 1 6 . 1 1 34 34 LEU H H 34 7.565 7.565 7.578 -0.013 19869 2007 1 6 . 1 1 35 35 VAL N N 35 121.579 121.579 120.514 1.065 19869 2008 1 6 . 1 1 35 35 VAL HA H 35 3.333 3.333 3.700 -0.367 19869 2009 1 6 . 1 1 35 35 VAL CA C 35 66.440 66.440 66.835 -0.396 19869 2010 1 6 . 1 1 35 35 VAL CB C 35 31.149 31.149 31.373 -0.224 19869 2011 1 6 . 1 1 35 35 VAL H H 35 8.414 8.414 7.616 0.798 19869 2012 1 6 . 1 1 36 36 ALA N N 36 121.368 121.368 121.968 -0.600 19869 2013 1 6 . 1 1 36 36 ALA HA H 36 3.794 3.794 4.053 -0.259 19869 2014 1 6 . 1 1 36 36 ALA CA C 36 55.555 55.555 55.302 0.253 19869 2015 1 6 . 1 1 36 36 ALA CB C 36 18.310 18.310 18.045 0.265 19869 2016 1 6 . 1 1 36 36 ALA H H 36 8.791 8.791 7.782 1.009 19869 2017 1 6 . 1 1 37 37 ALA N N 37 119.373 119.373 120.805 -1.432 19869 2018 1 6 . 1 1 37 37 ALA HA H 37 4.305 4.305 4.086 0.219 19869 2019 1 6 . 1 1 37 37 ALA CA C 37 54.825 54.825 54.688 0.137 19869 2020 1 6 . 1 1 37 37 ALA CB C 37 18.020 18.020 18.482 -0.462 19869 2021 1 6 . 1 1 37 37 ALA H H 37 7.648 7.648 8.081 -0.433 19869 2022 1 6 . 1 1 38 38 PHE N N 38 120.906 120.906 120.355 0.551 19869 2023 1 6 . 1 1 38 38 PHE HA H 38 4.449 4.449 4.267 0.182 19869 2024 1 6 . 1 1 38 38 PHE CA C 38 61.148 61.148 60.013 1.135 19869 2025 1 6 . 1 1 38 38 PHE CB C 38 39.350 39.350 39.137 0.213 19869 2026 1 6 . 1 1 38 38 PHE H H 38 7.923 7.923 7.893 0.030 19869 2027 1 6 . 1 1 39 39 VAL N N 39 119.731 119.731 119.255 0.476 19869 2028 1 6 . 1 1 39 39 VAL HA H 39 3.219 3.219 3.230 -0.011 19869 2029 1 6 . 1 1 39 39 VAL CA C 39 67.520 67.520 66.294 1.226 19869 2030 1 6 . 1 1 39 39 VAL CB C 39 32.059 32.059 31.462 0.597 19869 2031 1 6 . 1 1 39 39 VAL H H 39 8.482 8.482 8.008 0.474 19869 2032 1 6 . 1 1 40 40 ASP N N 40 120.200 120.200 120.459 -0.259 19869 2033 1 6 . 1 1 40 40 ASP HA H 40 4.449 4.449 4.352 0.097 19869 2034 1 6 . 1 1 40 40 ASP CA C 40 58.600 58.600 57.935 0.665 19869 2035 1 6 . 1 1 40 40 ASP CB C 40 43.300 43.300 41.078 2.222 19869 2036 1 6 . 1 1 40 40 ASP H H 40 8.851 8.851 8.429 0.422 19869 2037 1 6 . 1 1 41 41 ASP N N 41 120.967 120.967 119.087 1.880 19869 2038 1 6 . 1 1 41 41 ASP HA H 41 4.532 4.532 4.448 0.084 19869 2039 1 6 . 1 1 41 41 ASP CA C 41 57.860 57.860 56.751 1.109 19869 2040 1 6 . 1 1 41 41 ASP CB C 41 40.560 40.560 41.148 -0.588 19869 2041 1 6 . 1 1 41 41 ASP H H 41 8.743 8.743 7.928 0.815 19869 2042 1 6 . 1 1 42 42 LYS N N 42 120.600 120.600 119.558 1.042 19869 2043 1 6 . 1 1 42 42 LYS HA H 42 3.967 3.967 4.193 -0.226 19869 2044 1 6 . 1 1 42 42 LYS CA C 42 57.880 57.880 58.867 -0.987 19869 2045 1 6 . 1 1 42 42 LYS CB C 42 31.440 31.440 32.311 -0.871 19869 2046 1 6 . 1 1 42 42 LYS H H 42 7.990 7.990 7.400 0.590 19869 2047 1 6 . 1 1 43 43 MET N N 43 119.600 119.600 115.039 4.561 19869 2048 1 6 . 1 1 43 43 MET HA H 43 3.957 3.957 4.200 -0.243 19869 2049 1 6 . 1 1 43 43 MET CA C 43 55.600 55.600 58.851 -3.251 19869 2050 1 6 . 1 1 43 43 MET CB C 43 33.950 33.950 32.555 1.395 19869 2051 1 6 . 1 1 43 43 MET H H 43 8.844 8.844 8.350 0.494 19869 2052 1 6 . 1 1 44 44 HIS N N 44 115.981 115.981 117.437 -1.456 19869 2053 1 6 . 1 1 44 44 HIS HA H 44 4.408 4.408 4.840 -0.432 19869 2054 1 6 . 1 1 44 44 HIS CA C 44 61.250 61.250 57.530 3.720 19869 2055 1 6 . 1 1 44 44 HIS CB C 44 28.045 28.045 30.727 -2.682 19869 2056 1 6 . 1 1 44 44 HIS H H 44 8.296 8.296 7.954 0.342 19869 2057 1 6 . 1 1 45 45 GLU N N 45 122.501 122.501 118.662 3.839 19869 2058 1 6 . 1 1 45 45 GLU HA H 45 4.034 4.034 4.128 -0.094 19869 2059 1 6 . 1 1 45 45 GLU CA C 45 59.580 59.580 57.551 2.029 19869 2060 1 6 . 1 1 45 45 GLU CB C 45 29.533 29.533 29.645 -0.112 19869 2061 1 6 . 1 1 45 45 GLU H H 45 8.399 8.399 7.518 0.881 19869 2062 1 6 . 1 1 46 46 PHE N N 46 118.451 118.451 118.627 -0.176 19869 2063 1 6 . 1 1 46 46 PHE HA H 46 4.183 4.183 4.714 -0.531 19869 2064 1 6 . 1 1 46 46 PHE CA C 46 61.689 61.689 56.954 4.735 19869 2065 1 6 . 1 1 46 46 PHE CB C 46 38.979 38.979 39.436 -0.457 19869 2066 1 6 . 1 1 46 46 PHE H H 46 8.320 8.320 7.712 0.608 19869 2067 1 6 . 1 1 47 47 SER N N 47 114.878 114.878 116.428 -1.550 19869 2068 1 6 . 1 1 47 47 SER HA H 47 4.111 4.111 4.255 -0.144 19869 2069 1 6 . 1 1 47 47 SER CA C 47 60.281 60.281 61.625 -1.344 19869 2070 1 6 . 1 1 47 47 SER CB C 47 63.321 63.321 62.849 0.472 19869 2071 1 6 . 1 1 47 47 SER H H 47 8.278 8.278 8.232 0.046 19869 2072 1 6 . 1 1 48 48 GLU N N 48 118.579 118.579 118.978 -0.399 19869 2073 1 6 . 1 1 48 48 GLU HA H 48 4.059 4.059 4.217 -0.158 19869 2074 1 6 . 1 1 48 48 GLU CA C 48 58.641 58.641 58.210 0.431 19869 2075 1 6 . 1 1 48 48 GLU CB C 48 29.720 29.720 28.933 0.787 19869 2076 1 6 . 1 1 48 48 GLU H H 48 7.651 7.651 8.457 -0.806 19869 2077 1 6 . 1 1 49 49 LYS N N 49 116.048 116.048 118.220 -2.172 19869 2078 1 6 . 1 1 49 49 LYS HA H 49 4.211 4.211 4.222 -0.011 19869 2079 1 6 . 1 1 49 49 LYS CA C 49 57.580 57.580 56.133 1.447 19869 2080 1 6 . 1 1 49 49 LYS CB C 49 33.450 33.450 32.599 0.851 19869 2081 1 6 . 1 1 49 49 LYS H H 49 7.281 7.281 7.559 -0.278 19869 2082 1 6 . 1 1 50 50 GLN N N 50 117.953 117.953 115.857 2.096 19869 2083 1 6 . 1 1 50 50 GLN HA H 50 4.249 4.249 4.148 0.101 19869 2084 1 6 . 1 1 50 50 GLN CA C 50 55.610 55.610 55.479 0.131 19869 2085 1 6 . 1 1 50 50 GLN CB C 50 30.050 30.050 27.038 3.012 19869 2086 1 6 . 1 1 50 50 GLN H H 50 7.930 7.930 8.203 -0.273 19869 2087 1 6 . 1 1 51 51 PRO HA H 51 4.597 4.597 4.236 0.361 19869 2088 1 6 . 1 1 51 51 PRO CA C 51 63.600 63.600 64.832 -1.232 19869 2089 1 6 . 1 1 51 51 PRO CB C 51 32.522 32.522 31.963 0.559 19869 2090 1 6 . 1 1 52 52 MET N N 52 115.230 115.230 113.794 1.436 19869 2091 1 6 . 1 1 52 52 MET HA H 52 4.513 4.513 4.638 -0.125 19869 2092 1 6 . 1 1 52 52 MET CA C 52 55.505 55.505 53.997 1.508 19869 2093 1 6 . 1 1 52 52 MET CB C 52 30.920 30.920 33.372 -2.452 19869 2094 1 6 . 1 1 52 52 MET H H 52 8.558 8.558 7.915 0.643 19869 2095 1 6 . 1 1 53 53 LEU N N 53 120.540 120.540 119.795 0.745 19869 2096 1 6 . 1 1 53 53 LEU HA H 53 4.252 4.252 3.942 0.310 19869 2097 1 6 . 1 1 53 53 LEU CA C 53 55.690 55.690 55.420 0.270 19869 2098 1 6 . 1 1 53 53 LEU CB C 53 42.728 42.728 40.800 1.928 19869 2099 1 6 . 1 1 53 53 LEU H H 53 7.557 7.557 7.997 -0.440 19869 2100 1 6 . 1 1 54 54 ASP N N 54 121.294 121.294 121.667 -0.373 19869 2101 1 6 . 1 1 54 54 ASP HA H 54 4.640 4.640 4.933 -0.293 19869 2102 1 6 . 1 1 54 54 ASP CA C 54 52.280 52.280 54.200 -1.920 19869 2103 1 6 . 1 1 54 54 ASP CB C 54 41.330 41.330 42.948 -1.618 19869 2104 1 6 . 1 1 54 54 ASP H H 54 7.941 7.941 8.138 -0.197 19869 2105 1 6 . 1 1 55 55 VAL N N 55 118.701 118.701 118.279 0.422 19869 2106 1 6 . 1 1 55 55 VAL HA H 55 4.277 4.277 4.243 0.034 19869 2107 1 6 . 1 1 55 55 VAL CA C 55 62.510 62.510 63.294 -0.784 19869 2108 1 6 . 1 1 55 55 VAL CB C 55 29.900 29.900 31.232 -1.332 19869 2109 1 6 . 1 1 55 55 VAL H H 55 8.444 8.444 7.963 0.481 19869 2110 1 6 . 1 1 56 56 PRO HA H 56 3.981 3.981 4.557 -0.576 19869 2111 1 6 . 1 1 56 56 PRO CA C 56 66.840 66.840 64.428 2.412 19869 2112 1 6 . 1 1 56 56 PRO CB C 56 30.875 30.875 31.311 -0.436 19869 2113 1 6 . 1 1 57 57 LYS N N 57 114.335 114.335 117.924 -3.589 19869 2114 1 6 . 1 1 57 57 LYS HA H 57 4.213 4.213 4.200 0.013 19869 2115 1 6 . 1 1 57 57 LYS CA C 57 60.027 60.027 57.888 2.139 19869 2116 1 6 . 1 1 57 57 LYS CB C 57 33.700 33.700 31.299 2.401 19869 2117 1 6 . 1 1 57 57 LYS H H 57 7.224 7.224 8.443 -1.219 19869 2118 1 6 . 1 1 58 58 LEU N N 58 119.010 119.010 119.525 -0.515 19869 2119 1 6 . 1 1 58 58 LEU HA H 58 3.714 3.714 4.385 -0.671 19869 2120 1 6 . 1 1 58 58 LEU CA C 58 57.900 57.900 56.340 1.560 19869 2121 1 6 . 1 1 58 58 LEU CB C 58 42.966 42.966 41.936 1.030 19869 2122 1 6 . 1 1 58 58 LEU H H 58 8.369 8.369 7.480 0.889 19869 2123 1 6 . 1 1 59 59 ALA N N 59 122.559 122.559 122.294 0.265 19869 2124 1 6 . 1 1 59 59 ALA HA H 59 3.720 3.720 4.006 -0.286 19869 2125 1 6 . 1 1 59 59 ALA CA C 59 55.510 55.510 54.819 0.691 19869 2126 1 6 . 1 1 59 59 ALA CB C 59 19.020 19.020 18.573 0.447 19869 2127 1 6 . 1 1 59 59 ALA H H 59 8.686 8.686 7.950 0.736 19869 2128 1 6 . 1 1 60 60 VAL N N 60 118.664 118.664 115.432 3.232 19869 2129 1 6 . 1 1 60 60 VAL HA H 60 3.251 3.251 3.787 -0.536 19869 2130 1 6 . 1 1 60 60 VAL CA C 60 67.397 67.397 65.325 2.072 19869 2131 1 6 . 1 1 60 60 VAL CB C 60 31.340 31.340 31.308 0.032 19869 2132 1 6 . 1 1 60 60 VAL H H 60 7.777 7.777 7.540 0.237 19869 2133 1 6 . 1 1 61 61 LEU N N 61 118.415 118.415 120.877 -2.462 19869 2134 1 6 . 1 1 61 61 LEU HA H 61 3.553 3.553 4.013 -0.460 19869 2135 1 6 . 1 1 61 61 LEU CA C 61 58.150 58.150 58.166 -0.016 19869 2136 1 6 . 1 1 61 61 LEU CB C 61 40.340 40.340 41.677 -1.337 19869 2137 1 6 . 1 1 61 61 LEU H H 61 8.328 8.328 7.517 0.811 19869 2138 1 6 . 1 1 62 62 THR N N 62 117.416 117.416 112.135 5.281 19869 2139 1 6 . 1 1 62 62 THR HA H 62 4.130 4.130 3.923 0.207 19869 2140 1 6 . 1 1 62 62 THR CA C 62 67.220 67.220 65.866 1.354 19869 2141 1 6 . 1 1 62 62 THR CB C 62 68.364 68.364 68.575 -0.211 19869 2142 1 6 . 1 1 62 62 THR H H 62 7.787 7.787 7.705 0.082 19869 2143 1 6 . 1 1 63 63 ALA N N 63 124.319 124.319 125.017 -0.698 19869 2144 1 6 . 1 1 63 63 ALA HA H 63 3.746 3.746 4.057 -0.311 19869 2145 1 6 . 1 1 63 63 ALA CA C 63 56.243 56.243 55.089 1.154 19869 2146 1 6 . 1 1 63 63 ALA CB C 63 17.121 17.121 17.975 -0.854 19869 2147 1 6 . 1 1 63 63 ALA H H 63 8.175 8.175 7.528 0.647 19869 2148 1 6 . 1 1 64 64 VAL N N 64 116.756 116.756 117.837 -1.081 19869 2149 1 6 . 1 1 64 64 VAL HA H 64 3.324 3.324 3.578 -0.254 19869 2150 1 6 . 1 1 64 64 VAL CA C 64 66.543 66.543 65.432 1.111 19869 2151 1 6 . 1 1 64 64 VAL CB C 64 31.340 31.340 31.829 -0.489 19869 2152 1 6 . 1 1 64 64 VAL H H 64 8.422 8.422 7.942 0.480 19869 2153 1 6 . 1 1 65 65 GLN N N 65 120.091 120.091 119.144 0.947 19869 2154 1 6 . 1 1 65 65 GLN HA H 65 4.015 4.015 4.075 -0.060 19869 2155 1 6 . 1 1 65 65 GLN CA C 65 59.290 59.290 58.516 0.774 19869 2156 1 6 . 1 1 65 65 GLN CB C 65 28.450 28.450 28.881 -0.431 19869 2157 1 6 . 1 1 65 65 GLN H H 65 7.924 7.924 7.358 0.566 19869 2158 1 6 . 1 1 66 66 ILE N N 66 118.358 118.358 120.826 -2.468 19869 2159 1 6 . 1 1 66 66 ILE HA H 66 3.526 3.526 3.670 -0.144 19869 2160 1 6 . 1 1 66 66 ILE CA C 66 65.305 65.305 64.934 0.371 19869 2161 1 6 . 1 1 66 66 ILE H H 66 8.441 8.441 8.429 0.012 19869 2162 1 6 . 1 1 67 67 ALA N N 67 121.518 121.518 121.393 0.125 19869 2163 1 6 . 1 1 67 67 ALA HA H 67 4.025 4.025 4.111 -0.086 19869 2164 1 6 . 1 1 67 67 ALA CA C 67 55.501 55.501 55.596 -0.095 19869 2165 1 6 . 1 1 67 67 ALA CB C 67 19.668 19.668 18.294 1.374 19869 2166 1 6 . 1 1 67 67 ALA H H 67 8.947 8.947 7.824 1.123 19869 2167 1 6 . 1 1 68 68 SER N N 68 112.523 112.523 114.062 -1.539 19869 2168 1 6 . 1 1 68 68 SER HA H 68 4.174 4.174 4.173 0.001 19869 2169 1 6 . 1 1 68 68 SER CA C 68 61.429 61.429 61.769 -0.340 19869 2170 1 6 . 1 1 68 68 SER CB C 68 63.011 63.011 62.703 0.308 19869 2171 1 6 . 1 1 68 68 SER H H 68 8.492 8.492 7.673 0.819 19869 2172 1 6 . 1 1 69 69 GLU N N 69 117.397 117.397 121.602 -4.205 19869 2173 1 6 . 1 1 69 69 GLU HA H 69 3.998 3.998 4.074 -0.076 19869 2174 1 6 . 1 1 69 69 GLU CA C 69 59.181 59.181 58.895 0.286 19869 2175 1 6 . 1 1 69 69 GLU CB C 69 28.760 28.760 29.268 -0.508 19869 2176 1 6 . 1 1 69 69 GLU H H 69 7.579 7.579 8.218 -0.639 19869 2177 1 6 . 1 1 70 70 TYR N N 70 120.853 120.853 117.191 3.662 19869 2178 1 6 . 1 1 70 70 TYR HA H 70 4.352 4.352 4.547 -0.195 19869 2179 1 6 . 1 1 70 70 TYR CA C 70 60.530 60.530 60.069 0.461 19869 2180 1 6 . 1 1 70 70 TYR CB C 70 38.480 38.480 39.162 -0.682 19869 2181 1 6 . 1 1 70 70 TYR H H 70 8.635 8.635 7.548 1.087 19869 2182 1 6 . 1 1 71 71 LEU N N 71 119.400 119.400 121.171 -1.771 19869 2183 1 6 . 1 1 71 71 LEU HA H 71 3.554 3.554 4.018 -0.464 19869 2184 1 6 . 1 1 71 71 LEU CA C 71 58.368 58.368 57.830 0.538 19869 2185 1 6 . 1 1 71 71 LEU CB C 71 40.564 40.564 41.763 -1.199 19869 2186 1 6 . 1 1 71 71 LEU H H 71 8.836 8.836 8.232 0.604 19869 2187 1 6 . 1 1 72 72 LYS N N 72 119.127 119.127 118.975 0.152 19869 2188 1 6 . 1 1 72 72 LYS HA H 72 4.095 4.095 4.079 0.016 19869 2189 1 6 . 1 1 72 72 LYS CA C 72 59.780 59.780 59.133 0.647 19869 2190 1 6 . 1 1 72 72 LYS CB C 72 32.640 32.640 31.895 0.745 19869 2191 1 6 . 1 1 72 72 LYS H H 72 7.957 7.957 7.840 0.117 19869 2192 1 6 . 1 1 73 73 LEU N N 73 122.487 122.487 121.839 0.648 19869 2193 1 6 . 1 1 73 73 LEU HA H 73 4.127 4.127 4.210 -0.083 19869 2194 1 6 . 1 1 73 73 LEU CA C 73 57.340 57.340 57.688 -0.348 19869 2195 1 6 . 1 1 73 73 LEU CB C 73 41.020 41.020 41.790 -0.770 19869 2196 1 6 . 1 1 73 73 LEU H H 73 8.033 8.033 7.746 0.287 19869 2197 1 6 . 1 1 74 74 LYS N N 74 120.309 120.309 118.693 1.616 19869 2198 1 6 . 1 1 74 74 LYS HA H 74 3.759 3.759 4.095 -0.336 19869 2199 1 6 . 1 1 74 74 LYS CA C 74 60.700 60.700 59.562 1.138 19869 2200 1 6 . 1 1 74 74 LYS CB C 74 32.140 32.140 31.946 0.194 19869 2201 1 6 . 1 1 74 74 LYS H H 74 8.750 8.750 7.712 1.038 19869 2202 1 6 . 1 1 75 75 GLU N N 75 118.296 118.296 120.491 -2.195 19869 2203 1 6 . 1 1 75 75 GLU HA H 75 4.098 4.098 4.106 -0.008 19869 2204 1 6 . 1 1 75 75 GLU CA C 75 59.330 59.330 59.172 0.158 19869 2205 1 6 . 1 1 75 75 GLU CB C 75 29.500 29.500 29.374 0.126 19869 2206 1 6 . 1 1 75 75 GLU H H 75 7.274 7.274 7.853 -0.579 19869 2207 1 6 . 1 1 76 76 GLU N N 76 120.788 120.788 120.395 0.393 19869 2208 1 6 . 1 1 76 76 GLU HA H 76 4.152 4.152 4.042 0.110 19869 2209 1 6 . 1 1 76 76 GLU CA C 76 59.082 59.082 59.093 -0.011 19869 2210 1 6 . 1 1 76 76 GLU CB C 76 29.235 29.235 29.631 -0.396 19869 2211 1 6 . 1 1 76 76 GLU H H 76 7.756 7.756 7.781 -0.025 19869 2212 1 6 . 1 1 77 77 TYR N N 77 121.399 121.399 119.678 1.721 19869 2213 1 6 . 1 1 77 77 TYR HA H 77 4.210 4.210 4.211 -0.001 19869 2214 1 6 . 1 1 77 77 TYR CA C 77 61.704 61.704 61.150 0.554 19869 2215 1 6 . 1 1 77 77 TYR CB C 77 38.889 38.889 38.512 0.377 19869 2216 1 6 . 1 1 77 77 TYR H H 77 9.401 9.401 8.219 1.182 19869 2217 1 6 . 1 1 78 78 GLN N N 78 118.068 118.068 116.163 1.905 19869 2218 1 6 . 1 1 78 78 GLN HA H 78 3.784 3.784 4.072 -0.288 19869 2219 1 6 . 1 1 78 78 GLN CA C 78 58.915 58.915 57.225 1.690 19869 2220 1 6 . 1 1 78 78 GLN CB C 78 27.880 27.880 28.821 -0.941 19869 2221 1 6 . 1 1 78 78 GLN H H 78 8.169 8.169 7.483 0.686 19869 2222 1 6 . 1 1 79 79 ARG N N 79 118.446 118.446 120.702 -2.256 19869 2223 1 6 . 1 1 79 79 ARG HA H 79 4.045 4.045 4.005 0.040 19869 2224 1 6 . 1 1 79 79 ARG CA C 79 59.310 59.310 60.201 -0.891 19869 2225 1 6 . 1 1 79 79 ARG CB C 79 30.220 30.220 30.407 -0.187 19869 2226 1 6 . 1 1 79 79 ARG H H 79 7.814 7.814 7.759 0.055 19869 2227 1 6 . 1 1 80 80 LEU N N 80 121.039 121.039 114.491 6.548 19869 2228 1 6 . 1 1 80 80 LEU HA H 80 4.130 4.130 4.711 -0.581 19869 2229 1 6 . 1 1 80 80 LEU CA C 80 57.689 57.689 56.510 1.179 19869 2230 1 6 . 1 1 80 80 LEU CB C 80 41.670 41.670 40.875 0.795 19869 2231 1 6 . 1 1 80 80 LEU H H 80 7.989 7.989 8.112 -0.123 19869 2232 1 6 . 1 1 81 81 ARG N N 81 117.498 117.498 119.463 -1.965 19869 2233 1 6 . 1 1 81 81 ARG HA H 81 3.717 3.717 4.288 -0.571 19869 2234 1 6 . 1 1 81 81 ARG CA C 81 59.030 59.030 58.965 0.065 19869 2235 1 6 . 1 1 81 81 ARG CB C 81 29.500 29.500 31.536 -2.036 19869 2236 1 6 . 1 1 81 81 ARG H H 81 8.241 8.241 7.387 0.854 19869 2237 1 6 . 1 1 82 82 GLU N N 82 117.300 117.300 119.914 -2.614 19869 2238 1 6 . 1 1 82 82 GLU HA H 82 4.060 4.060 3.979 0.081 19869 2239 1 6 . 1 1 82 82 GLU CA C 82 58.205 58.205 59.205 -1.000 19869 2240 1 6 . 1 1 82 82 GLU CB C 82 29.539 29.539 29.043 0.496 19869 2241 1 6 . 1 1 82 82 GLU H H 82 7.671 7.671 8.253 -0.582 19869 2242 1 6 . 1 1 83 83 GLN N N 83 117.205 117.205 117.106 0.099 19869 2243 1 6 . 1 1 83 83 GLN HA H 83 4.192 4.192 4.115 0.077 19869 2244 1 6 . 1 1 83 83 GLN CA C 83 56.940 56.940 57.830 -0.890 19869 2245 1 6 . 1 1 83 83 GLN CB C 83 29.110 29.110 28.447 0.663 19869 2246 1 6 . 1 1 83 83 GLN H H 83 7.745 7.745 7.794 -0.049 19869 2247 1 6 . 1 1 84 84 LEU N N 84 120.465 120.465 119.553 0.912 19869 2248 1 6 . 1 1 84 84 LEU HA H 84 4.301 4.301 4.340 -0.039 19869 2249 1 6 . 1 1 84 84 LEU CA C 84 55.180 55.180 56.022 -0.842 19869 2250 1 6 . 1 1 84 84 LEU CB C 84 42.190 42.190 43.021 -0.831 19869 2251 1 6 . 1 1 84 84 LEU H H 84 7.500 7.500 7.483 0.017 19869 2252 1 6 . 1 1 85 85 LYS N N 85 126.524 126.524 117.510 9.014 19869 2253 1 6 . 1 1 85 85 LYS HA H 85 4.063 4.063 4.111 -0.048 19869 2254 1 6 . 1 1 85 85 LYS CA C 85 57.499 57.499 57.431 0.068 19869 2255 1 6 . 1 1 85 85 LYS CB C 85 33.640 33.640 32.767 0.873 19869 2256 1 6 . 1 1 85 85 LYS H H 85 7.525 7.525 7.559 -0.034 19869 2257 1 7 . 1 1 8 8 PRO HA H 8 4.396 4.396 4.649 -0.253 19869 2258 1 7 . 1 1 8 8 PRO CA C 8 63.046 63.046 62.159 0.887 19869 2259 1 7 . 1 1 8 8 PRO CB C 8 32.151 32.151 32.454 -0.303 19869 2260 1 7 . 1 1 9 9 LYS N N 9 121.282 121.282 119.272 2.010 19869 2261 1 7 . 1 1 9 9 LYS HA H 9 4.373 4.373 4.216 0.157 19869 2262 1 7 . 1 1 9 9 LYS CA C 9 56.140 56.140 56.431 -0.291 19869 2263 1 7 . 1 1 9 9 LYS CB C 9 33.680 33.680 31.532 2.147 19869 2264 1 7 . 1 1 9 9 LYS H H 9 8.363 8.363 8.223 0.140 19869 2265 1 7 . 1 1 10 10 THR N N 10 117.787 117.787 117.217 0.570 19869 2266 1 7 . 1 1 10 10 THR HA H 10 4.357 4.357 4.357 0.000 19869 2267 1 7 . 1 1 10 10 THR CA C 10 61.620 61.620 61.403 0.217 19869 2268 1 7 . 1 1 10 10 THR CB C 10 70.393 70.393 70.179 0.214 19869 2269 1 7 . 1 1 10 10 THR H H 10 8.675 8.675 8.424 0.251 19869 2270 1 7 . 1 1 11 11 ARG N N 11 123.980 123.980 124.199 -0.219 19869 2271 1 7 . 1 1 11 11 ARG HA H 11 5.043 5.043 5.241 -0.198 19869 2272 1 7 . 1 1 11 11 ARG CA C 11 55.142 55.142 54.423 0.719 19869 2273 1 7 . 1 1 11 11 ARG CB C 11 32.130 32.130 32.505 -0.375 19869 2274 1 7 . 1 1 11 11 ARG H H 11 8.322 8.322 8.288 0.034 19869 2275 1 7 . 1 1 12 12 VAL N N 12 124.311 124.311 123.561 0.750 19869 2276 1 7 . 1 1 12 12 VAL HA H 12 4.410 4.410 4.523 -0.113 19869 2277 1 7 . 1 1 12 12 VAL CA C 12 60.866 60.866 60.237 0.629 19869 2278 1 7 . 1 1 12 12 VAL CB C 12 35.447 35.447 35.674 -0.227 19869 2279 1 7 . 1 1 12 12 VAL H H 12 8.853 8.853 9.157 -0.304 19869 2280 1 7 . 1 1 13 13 SER N N 13 122.286 122.286 124.496 -2.210 19869 2281 1 7 . 1 1 13 13 SER HA H 13 5.435 5.435 4.999 0.436 19869 2282 1 7 . 1 1 13 13 SER CA C 13 57.199 57.199 58.150 -0.951 19869 2283 1 7 . 1 1 13 13 SER CB C 13 63.535 63.535 63.213 0.322 19869 2284 1 7 . 1 1 13 13 SER H H 13 8.581 8.581 8.609 -0.028 19869 2285 1 7 . 1 1 14 14 VAL N N 14 119.340 119.340 122.029 -2.689 19869 2286 1 7 . 1 1 14 14 VAL HA H 14 4.491 4.491 4.507 -0.016 19869 2287 1 7 . 1 1 14 14 VAL CA C 14 56.271 56.271 59.502 -3.231 19869 2288 1 7 . 1 1 14 14 VAL CB C 14 35.709 35.709 34.672 1.037 19869 2289 1 7 . 1 1 14 14 VAL H H 14 9.154 9.154 8.790 0.364 19869 2290 1 7 . 1 1 15 15 ARG N N 15 123.689 123.689 125.322 -1.633 19869 2291 1 7 . 1 1 15 15 ARG HA H 15 5.333 5.333 4.708 0.625 19869 2292 1 7 . 1 1 15 15 ARG CA C 15 54.830 54.830 55.789 -0.959 19869 2293 1 7 . 1 1 15 15 ARG CB C 15 31.780 31.780 31.078 0.702 19869 2294 1 7 . 1 1 15 15 ARG H H 15 8.467 8.467 8.524 -0.057 19869 2295 1 7 . 1 1 16 16 ILE N N 16 125.117 125.117 126.615 -1.498 19869 2296 1 7 . 1 1 16 16 ILE HA H 16 4.189 4.189 4.406 -0.217 19869 2297 1 7 . 1 1 16 16 ILE CA C 16 61.240 61.240 61.133 0.107 19869 2298 1 7 . 1 1 16 16 ILE CB C 16 41.680 41.680 40.682 0.998 19869 2299 1 7 . 1 1 16 16 ILE H H 16 9.174 9.174 9.044 0.130 19869 2300 1 7 . 1 1 17 17 TYR N N 17 137.064 137.064 128.622 8.442 19869 2301 1 7 . 1 1 17 17 TYR HA H 17 3.836 3.836 4.229 -0.393 19869 2302 1 7 . 1 1 17 17 TYR CA C 17 59.876 59.876 59.724 0.152 19869 2303 1 7 . 1 1 17 17 TYR CB C 17 39.379 39.379 36.792 2.587 19869 2304 1 7 . 1 1 17 17 TYR H H 17 10.623 10.623 9.724 0.899 19869 2305 1 7 . 1 1 18 18 GLY N N 18 102.991 102.991 105.002 -2.011 19869 2306 1 7 . 1 1 18 18 GLY CA C 18 45.674 45.674 45.090 0.584 19869 2307 1 7 . 1 1 18 18 GLY H H 18 8.604 8.604 8.676 -0.072 19869 2308 1 7 . 1 1 19 19 GLN N N 19 119.104 119.104 122.292 -3.188 19869 2309 1 7 . 1 1 19 19 GLN HA H 19 4.566 4.566 4.438 0.128 19869 2310 1 7 . 1 1 19 19 GLN CA C 19 53.719 53.719 54.447 -0.728 19869 2311 1 7 . 1 1 19 19 GLN CB C 19 32.230 32.230 29.549 2.681 19869 2312 1 7 . 1 1 19 19 GLN H H 19 7.724 7.724 7.832 -0.108 19869 2313 1 7 . 1 1 20 20 ASP N N 20 121.913 121.913 119.853 2.060 19869 2314 1 7 . 1 1 20 20 ASP HA H 20 5.340 5.340 5.290 0.050 19869 2315 1 7 . 1 1 20 20 ASP CA C 20 54.370 54.370 52.619 1.751 19869 2316 1 7 . 1 1 20 20 ASP CB C 20 42.600 42.600 42.916 -0.316 19869 2317 1 7 . 1 1 20 20 ASP H H 20 8.217 8.217 8.224 -0.007 19869 2318 1 7 . 1 1 21 21 TYR N N 21 120.801 120.801 119.970 0.831 19869 2319 1 7 . 1 1 21 21 TYR HA H 21 4.538 4.538 4.757 -0.219 19869 2320 1 7 . 1 1 21 21 TYR CA C 21 57.640 57.640 56.472 1.168 19869 2321 1 7 . 1 1 21 21 TYR CB C 21 42.201 42.201 42.100 0.101 19869 2322 1 7 . 1 1 21 21 TYR H H 21 9.330 9.330 8.911 0.419 19869 2323 1 7 . 1 1 22 22 THR N N 22 118.813 118.813 119.300 -0.487 19869 2324 1 7 . 1 1 22 22 THR HA H 22 4.390 4.390 4.664 -0.274 19869 2325 1 7 . 1 1 22 22 THR CA C 22 63.230 63.230 62.242 0.988 19869 2326 1 7 . 1 1 22 22 THR CB C 22 69.380 69.380 67.504 1.876 19869 2327 1 7 . 1 1 22 22 THR H H 22 8.888 8.888 8.791 0.097 19869 2328 1 7 . 1 1 23 23 ILE N N 23 129.291 129.291 121.269 8.022 19869 2329 1 7 . 1 1 23 23 ILE HA H 23 4.268 4.268 4.725 -0.457 19869 2330 1 7 . 1 1 23 23 ILE CA C 23 59.121 59.121 59.146 -0.025 19869 2331 1 7 . 1 1 23 23 ILE CB C 23 37.060 37.060 40.666 -3.606 19869 2332 1 7 . 1 1 23 23 ILE H H 23 9.212 9.212 8.791 0.421 19869 2333 1 7 . 1 1 24 24 VAL N N 24 127.112 127.112 121.459 5.653 19869 2334 1 7 . 1 1 24 24 VAL HA H 24 5.073 5.073 4.227 0.846 19869 2335 1 7 . 1 1 24 24 VAL CA C 24 60.246 60.246 63.096 -2.850 19869 2336 1 7 . 1 1 24 24 VAL CB C 24 33.415 33.415 31.495 1.919 19869 2337 1 7 . 1 1 24 24 VAL H H 24 8.345 8.345 8.465 -0.120 19869 2338 1 7 . 1 1 25 25 GLY N N 25 113.745 113.745 114.454 -0.709 19869 2339 1 7 . 1 1 25 25 GLY CA C 25 45.920 45.920 44.169 1.751 19869 2340 1 7 . 1 1 25 25 GLY H H 25 8.540 8.540 8.579 -0.039 19869 2341 1 7 . 1 1 26 26 ALA N N 26 123.321 123.321 123.663 -0.342 19869 2342 1 7 . 1 1 26 26 ALA HA H 26 4.644 4.644 4.361 0.283 19869 2343 1 7 . 1 1 26 26 ALA CA C 26 51.639 51.639 51.923 -0.284 19869 2344 1 7 . 1 1 26 26 ALA CB C 26 19.725 19.725 16.579 3.146 19869 2345 1 7 . 1 1 26 26 ALA H H 26 8.593 8.593 8.372 0.221 19869 2346 1 7 . 1 1 27 27 GLU N N 27 118.135 118.135 120.512 -2.377 19869 2347 1 7 . 1 1 27 27 GLU HA H 27 4.302 4.302 4.377 -0.075 19869 2348 1 7 . 1 1 27 27 GLU CA C 27 55.670 55.670 55.908 -0.238 19869 2349 1 7 . 1 1 27 27 GLU CB C 27 30.724 30.724 30.216 0.508 19869 2350 1 7 . 1 1 27 27 GLU H H 27 8.120 8.120 8.267 -0.147 19869 2351 1 7 . 1 1 28 28 SER N N 28 115.651 115.651 116.411 -0.760 19869 2352 1 7 . 1 1 28 28 SER HA H 28 4.700 4.700 4.979 -0.279 19869 2353 1 7 . 1 1 28 28 SER CA C 28 56.044 56.044 54.701 1.343 19869 2354 1 7 . 1 1 28 28 SER H H 28 8.723 8.723 8.096 0.627 19869 2355 1 7 . 1 1 29 29 PRO HA H 29 4.111 4.111 4.367 -0.256 19869 2356 1 7 . 1 1 29 29 PRO CA C 29 65.792 65.792 64.638 1.154 19869 2357 1 7 . 1 1 29 29 PRO CB C 29 31.750 31.750 31.924 -0.174 19869 2358 1 7 . 1 1 30 30 ALA N N 30 117.252 117.252 120.329 -3.077 19869 2359 1 7 . 1 1 30 30 ALA HA H 30 4.028 4.028 4.301 -0.273 19869 2360 1 7 . 1 1 30 30 ALA CA C 30 55.258 55.258 54.203 1.055 19869 2361 1 7 . 1 1 30 30 ALA CB C 30 18.240 18.240 18.720 -0.479 19869 2362 1 7 . 1 1 30 30 ALA H H 30 7.994 7.994 7.737 0.257 19869 2363 1 7 . 1 1 31 31 HIS N N 31 119.161 119.161 119.415 -0.254 19869 2364 1 7 . 1 1 31 31 HIS HA H 31 4.278 4.278 4.281 -0.003 19869 2365 1 7 . 1 1 31 31 HIS CA C 31 59.697 59.697 60.359 -0.662 19869 2366 1 7 . 1 1 31 31 HIS CB C 31 30.320 30.320 29.814 0.505 19869 2367 1 7 . 1 1 31 31 HIS H H 31 7.902 7.902 7.748 0.154 19869 2368 1 7 . 1 1 32 32 ILE N N 32 118.000 118.000 115.881 2.119 19869 2369 1 7 . 1 1 32 32 ILE HA H 32 3.478 3.478 3.838 -0.360 19869 2370 1 7 . 1 1 32 32 ILE CA C 32 63.480 63.480 64.744 -1.264 19869 2371 1 7 . 1 1 32 32 ILE CB C 32 36.290 36.290 37.360 -1.070 19869 2372 1 7 . 1 1 32 32 ILE H H 32 8.092 8.092 8.138 -0.046 19869 2373 1 7 . 1 1 33 33 ARG N N 33 118.612 118.612 119.382 -0.770 19869 2374 1 7 . 1 1 33 33 ARG HA H 33 3.911 3.911 4.213 -0.302 19869 2375 1 7 . 1 1 33 33 ARG CA C 33 60.741 60.741 58.497 2.244 19869 2376 1 7 . 1 1 33 33 ARG CB C 33 29.839 29.839 29.740 0.099 19869 2377 1 7 . 1 1 33 33 ARG H H 33 8.436 8.436 7.458 0.978 19869 2378 1 7 . 1 1 34 34 LEU N N 34 122.935 122.935 120.414 2.521 19869 2379 1 7 . 1 1 34 34 LEU HA H 34 4.154 4.154 4.176 -0.022 19869 2380 1 7 . 1 1 34 34 LEU CA C 34 57.400 57.400 57.721 -0.321 19869 2381 1 7 . 1 1 34 34 LEU CB C 34 41.998 41.998 41.720 0.278 19869 2382 1 7 . 1 1 34 34 LEU H H 34 7.565 7.565 7.559 0.006 19869 2383 1 7 . 1 1 35 35 VAL N N 35 121.579 121.579 120.128 1.451 19869 2384 1 7 . 1 1 35 35 VAL HA H 35 3.333 3.333 3.518 -0.185 19869 2385 1 7 . 1 1 35 35 VAL CA C 35 66.440 66.440 67.630 -1.190 19869 2386 1 7 . 1 1 35 35 VAL CB C 35 31.149 31.149 31.313 -0.164 19869 2387 1 7 . 1 1 35 35 VAL H H 35 8.414 8.414 8.167 0.247 19869 2388 1 7 . 1 1 36 36 ALA N N 36 121.368 121.368 120.652 0.716 19869 2389 1 7 . 1 1 36 36 ALA HA H 36 3.794 3.794 4.125 -0.331 19869 2390 1 7 . 1 1 36 36 ALA CA C 36 55.555 55.555 55.134 0.421 19869 2391 1 7 . 1 1 36 36 ALA CB C 36 18.310 18.310 18.107 0.203 19869 2392 1 7 . 1 1 36 36 ALA H H 36 8.791 8.791 7.579 1.212 19869 2393 1 7 . 1 1 37 37 ALA N N 37 119.373 119.373 122.321 -2.948 19869 2394 1 7 . 1 1 37 37 ALA HA H 37 4.305 4.305 4.043 0.262 19869 2395 1 7 . 1 1 37 37 ALA CA C 37 54.825 54.825 55.151 -0.327 19869 2396 1 7 . 1 1 37 37 ALA CB C 37 18.020 18.020 18.461 -0.441 19869 2397 1 7 . 1 1 37 37 ALA H H 37 7.648 7.648 7.575 0.073 19869 2398 1 7 . 1 1 38 38 PHE N N 38 120.906 120.906 118.567 2.339 19869 2399 1 7 . 1 1 38 38 PHE HA H 38 4.449 4.449 4.214 0.235 19869 2400 1 7 . 1 1 38 38 PHE CA C 38 61.148 61.148 61.918 -0.770 19869 2401 1 7 . 1 1 38 38 PHE CB C 38 39.350 39.350 39.407 -0.057 19869 2402 1 7 . 1 1 38 38 PHE H H 38 7.923 7.923 8.501 -0.578 19869 2403 1 7 . 1 1 39 39 VAL N N 39 119.731 119.731 118.394 1.337 19869 2404 1 7 . 1 1 39 39 VAL HA H 39 3.219 3.219 3.736 -0.517 19869 2405 1 7 . 1 1 39 39 VAL CA C 39 67.520 67.520 65.831 1.689 19869 2406 1 7 . 1 1 39 39 VAL CB C 39 32.059 32.059 31.321 0.738 19869 2407 1 7 . 1 1 39 39 VAL H H 39 8.482 8.482 7.337 1.145 19869 2408 1 7 . 1 1 40 40 ASP N N 40 120.200 120.200 120.952 -0.752 19869 2409 1 7 . 1 1 40 40 ASP HA H 40 4.449 4.449 4.530 -0.081 19869 2410 1 7 . 1 1 40 40 ASP CA C 40 58.600 58.600 58.244 0.356 19869 2411 1 7 . 1 1 40 40 ASP CB C 40 43.300 43.300 41.164 2.136 19869 2412 1 7 . 1 1 40 40 ASP H H 40 8.851 8.851 8.797 0.054 19869 2413 1 7 . 1 1 41 41 ASP N N 41 120.967 120.967 119.749 1.218 19869 2414 1 7 . 1 1 41 41 ASP HA H 41 4.532 4.532 4.452 0.080 19869 2415 1 7 . 1 1 41 41 ASP CA C 41 57.860 57.860 57.071 0.789 19869 2416 1 7 . 1 1 41 41 ASP CB C 41 40.560 40.560 41.198 -0.638 19869 2417 1 7 . 1 1 41 41 ASP H H 41 8.743 8.743 8.313 0.430 19869 2418 1 7 . 1 1 42 42 LYS N N 42 120.600 120.600 120.175 0.425 19869 2419 1 7 . 1 1 42 42 LYS HA H 42 3.967 3.967 4.221 -0.254 19869 2420 1 7 . 1 1 42 42 LYS CA C 42 57.880 57.880 59.016 -1.136 19869 2421 1 7 . 1 1 42 42 LYS CB C 42 31.440 31.440 32.481 -1.041 19869 2422 1 7 . 1 1 42 42 LYS H H 42 7.990 7.990 7.345 0.645 19869 2423 1 7 . 1 1 43 43 MET N N 43 119.600 119.600 116.648 2.952 19869 2424 1 7 . 1 1 43 43 MET HA H 43 3.957 3.957 4.179 -0.222 19869 2425 1 7 . 1 1 43 43 MET CA C 43 55.600 55.600 59.308 -3.708 19869 2426 1 7 . 1 1 43 43 MET CB C 43 33.950 33.950 32.463 1.487 19869 2427 1 7 . 1 1 43 43 MET H H 43 8.844 8.844 8.398 0.446 19869 2428 1 7 . 1 1 44 44 HIS N N 44 115.981 115.981 117.518 -1.537 19869 2429 1 7 . 1 1 44 44 HIS HA H 44 4.408 4.408 4.547 -0.139 19869 2430 1 7 . 1 1 44 44 HIS CA C 44 61.250 61.250 60.585 0.665 19869 2431 1 7 . 1 1 44 44 HIS CB C 44 28.045 28.045 29.934 -1.889 19869 2432 1 7 . 1 1 44 44 HIS H H 44 8.296 8.296 7.963 0.333 19869 2433 1 7 . 1 1 45 45 GLU N N 45 122.501 122.501 119.504 2.997 19869 2434 1 7 . 1 1 45 45 GLU HA H 45 4.034 4.034 4.149 -0.115 19869 2435 1 7 . 1 1 45 45 GLU CA C 45 59.580 59.580 58.522 1.058 19869 2436 1 7 . 1 1 45 45 GLU CB C 45 29.533 29.533 28.809 0.724 19869 2437 1 7 . 1 1 45 45 GLU H H 45 8.399 8.399 7.976 0.423 19869 2438 1 7 . 1 1 46 46 PHE N N 46 118.451 118.451 117.883 0.568 19869 2439 1 7 . 1 1 46 46 PHE HA H 46 4.183 4.183 4.670 -0.487 19869 2440 1 7 . 1 1 46 46 PHE CA C 46 61.689 61.689 58.971 2.718 19869 2441 1 7 . 1 1 46 46 PHE CB C 46 38.979 38.979 40.430 -1.451 19869 2442 1 7 . 1 1 46 46 PHE H H 46 8.320 8.320 7.340 0.980 19869 2443 1 7 . 1 1 47 47 SER N N 47 114.878 114.878 115.685 -0.807 19869 2444 1 7 . 1 1 47 47 SER HA H 47 4.111 4.111 4.209 -0.098 19869 2445 1 7 . 1 1 47 47 SER CA C 47 60.281 60.281 61.702 -1.421 19869 2446 1 7 . 1 1 47 47 SER CB C 47 63.321 63.321 63.049 0.272 19869 2447 1 7 . 1 1 47 47 SER H H 47 8.278 8.278 7.959 0.319 19869 2448 1 7 . 1 1 48 48 GLU N N 48 118.579 118.579 116.688 1.891 19869 2449 1 7 . 1 1 48 48 GLU HA H 48 4.059 4.059 4.645 -0.586 19869 2450 1 7 . 1 1 48 48 GLU CA C 48 58.641 58.641 56.789 1.852 19869 2451 1 7 . 1 1 48 48 GLU CB C 48 29.720 29.720 29.735 -0.015 19869 2452 1 7 . 1 1 48 48 GLU H H 48 7.651 7.651 8.308 -0.657 19869 2453 1 7 . 1 1 49 49 LYS N N 49 116.048 116.048 119.269 -3.221 19869 2454 1 7 . 1 1 49 49 LYS HA H 49 4.211 4.211 4.421 -0.210 19869 2455 1 7 . 1 1 49 49 LYS CA C 49 57.580 57.580 56.169 1.411 19869 2456 1 7 . 1 1 49 49 LYS CB C 49 33.450 33.450 33.741 -0.291 19869 2457 1 7 . 1 1 49 49 LYS H H 49 7.281 7.281 7.872 -0.591 19869 2458 1 7 . 1 1 50 50 GLN N N 50 117.953 117.953 117.182 0.771 19869 2459 1 7 . 1 1 50 50 GLN HA H 50 4.249 4.249 4.092 0.157 19869 2460 1 7 . 1 1 50 50 GLN CA C 50 55.610 55.610 55.756 -0.146 19869 2461 1 7 . 1 1 50 50 GLN CB C 50 30.050 30.050 26.843 3.208 19869 2462 1 7 . 1 1 50 50 GLN H H 50 7.930 7.930 8.168 -0.238 19869 2463 1 7 . 1 1 51 51 PRO HA H 51 4.597 4.597 4.224 0.373 19869 2464 1 7 . 1 1 51 51 PRO CA C 51 63.600 63.600 64.948 -1.348 19869 2465 1 7 . 1 1 51 51 PRO CB C 51 32.522 32.522 32.044 0.478 19869 2466 1 7 . 1 1 52 52 MET N N 52 115.230 115.230 114.141 1.089 19869 2467 1 7 . 1 1 52 52 MET HA H 52 4.513 4.513 4.597 -0.084 19869 2468 1 7 . 1 1 52 52 MET CA C 52 55.505 55.505 54.797 0.708 19869 2469 1 7 . 1 1 52 52 MET CB C 52 30.920 30.920 34.085 -3.165 19869 2470 1 7 . 1 1 52 52 MET H H 52 8.558 8.558 7.902 0.656 19869 2471 1 7 . 1 1 53 53 LEU N N 53 120.540 120.540 118.937 1.603 19869 2472 1 7 . 1 1 53 53 LEU HA H 53 4.252 4.252 4.034 0.218 19869 2473 1 7 . 1 1 53 53 LEU CA C 53 55.690 55.690 55.275 0.415 19869 2474 1 7 . 1 1 53 53 LEU CB C 53 42.728 42.728 41.153 1.575 19869 2475 1 7 . 1 1 53 53 LEU H H 53 7.557 7.557 7.879 -0.322 19869 2476 1 7 . 1 1 54 54 ASP N N 54 121.294 121.294 117.477 3.817 19869 2477 1 7 . 1 1 54 54 ASP HA H 54 4.640 4.640 4.836 -0.196 19869 2478 1 7 . 1 1 54 54 ASP CA C 54 52.280 52.280 52.784 -0.504 19869 2479 1 7 . 1 1 54 54 ASP CB C 54 41.330 41.330 42.929 -1.599 19869 2480 1 7 . 1 1 54 54 ASP H H 54 7.941 7.941 7.796 0.145 19869 2481 1 7 . 1 1 55 55 VAL N N 55 118.701 118.701 122.293 -3.592 19869 2482 1 7 . 1 1 55 55 VAL HA H 55 4.277 4.277 3.896 0.381 19869 2483 1 7 . 1 1 55 55 VAL CA C 55 62.510 62.510 67.116 -4.606 19869 2484 1 7 . 1 1 55 55 VAL CB C 55 29.900 29.900 30.122 -0.222 19869 2485 1 7 . 1 1 55 55 VAL H H 55 8.444 8.444 8.660 -0.216 19869 2486 1 7 . 1 1 56 56 PRO HA H 56 3.981 3.981 4.232 -0.251 19869 2487 1 7 . 1 1 56 56 PRO CA C 56 66.840 66.840 65.740 1.100 19869 2488 1 7 . 1 1 56 56 PRO CB C 56 30.875 30.875 31.161 -0.286 19869 2489 1 7 . 1 1 57 57 LYS N N 57 114.335 114.335 116.289 -1.954 19869 2490 1 7 . 1 1 57 57 LYS HA H 57 4.213 4.213 4.128 0.085 19869 2491 1 7 . 1 1 57 57 LYS CA C 57 60.027 60.027 58.513 1.514 19869 2492 1 7 . 1 1 57 57 LYS CB C 57 33.700 33.700 31.780 1.920 19869 2493 1 7 . 1 1 57 57 LYS H H 57 7.224 7.224 8.001 -0.777 19869 2494 1 7 . 1 1 58 58 LEU N N 58 119.010 119.010 119.687 -0.677 19869 2495 1 7 . 1 1 58 58 LEU HA H 58 3.714 3.714 4.144 -0.430 19869 2496 1 7 . 1 1 58 58 LEU CA C 58 57.900 57.900 56.979 0.921 19869 2497 1 7 . 1 1 58 58 LEU CB C 58 42.966 42.966 42.355 0.611 19869 2498 1 7 . 1 1 58 58 LEU H H 58 8.369 8.369 7.482 0.887 19869 2499 1 7 . 1 1 59 59 ALA N N 59 122.559 122.559 122.109 0.450 19869 2500 1 7 . 1 1 59 59 ALA HA H 59 3.720 3.720 3.948 -0.228 19869 2501 1 7 . 1 1 59 59 ALA CA C 59 55.510 55.510 54.983 0.527 19869 2502 1 7 . 1 1 59 59 ALA CB C 59 19.020 19.020 18.272 0.748 19869 2503 1 7 . 1 1 59 59 ALA H H 59 8.686 8.686 7.680 1.006 19869 2504 1 7 . 1 1 60 60 VAL N N 60 118.664 118.664 118.952 -0.288 19869 2505 1 7 . 1 1 60 60 VAL HA H 60 3.251 3.251 3.768 -0.517 19869 2506 1 7 . 1 1 60 60 VAL CA C 60 67.397 67.397 64.786 2.611 19869 2507 1 7 . 1 1 60 60 VAL CB C 60 31.340 31.340 31.066 0.274 19869 2508 1 7 . 1 1 60 60 VAL H H 60 7.777 7.777 7.857 -0.080 19869 2509 1 7 . 1 1 61 61 LEU N N 61 118.415 118.415 119.392 -0.977 19869 2510 1 7 . 1 1 61 61 LEU HA H 61 3.553 3.553 3.964 -0.411 19869 2511 1 7 . 1 1 61 61 LEU CA C 61 58.150 58.150 58.279 -0.129 19869 2512 1 7 . 1 1 61 61 LEU CB C 61 40.340 40.340 41.309 -0.969 19869 2513 1 7 . 1 1 61 61 LEU H H 61 8.328 8.328 7.633 0.695 19869 2514 1 7 . 1 1 62 62 THR N N 62 117.416 117.416 113.172 4.244 19869 2515 1 7 . 1 1 62 62 THR HA H 62 4.130 4.130 3.912 0.218 19869 2516 1 7 . 1 1 62 62 THR CA C 62 67.220 67.220 65.493 1.728 19869 2517 1 7 . 1 1 62 62 THR CB C 62 68.364 68.364 68.097 0.267 19869 2518 1 7 . 1 1 62 62 THR H H 62 7.787 7.787 7.448 0.339 19869 2519 1 7 . 1 1 63 63 ALA N N 63 124.319 124.319 124.843 -0.524 19869 2520 1 7 . 1 1 63 63 ALA HA H 63 3.746 3.746 4.085 -0.339 19869 2521 1 7 . 1 1 63 63 ALA CA C 63 56.243 56.243 55.120 1.123 19869 2522 1 7 . 1 1 63 63 ALA CB C 63 17.121 17.121 17.914 -0.793 19869 2523 1 7 . 1 1 63 63 ALA H H 63 8.175 8.175 7.384 0.791 19869 2524 1 7 . 1 1 64 64 VAL N N 64 116.756 116.756 118.645 -1.889 19869 2525 1 7 . 1 1 64 64 VAL HA H 64 3.324 3.324 3.668 -0.344 19869 2526 1 7 . 1 1 64 64 VAL CA C 64 66.543 66.543 65.672 0.871 19869 2527 1 7 . 1 1 64 64 VAL CB C 64 31.340 31.340 31.750 -0.410 19869 2528 1 7 . 1 1 64 64 VAL H H 64 8.422 8.422 8.008 0.414 19869 2529 1 7 . 1 1 65 65 GLN N N 65 120.091 120.091 120.074 0.017 19869 2530 1 7 . 1 1 65 65 GLN HA H 65 4.015 4.015 4.164 -0.149 19869 2531 1 7 . 1 1 65 65 GLN CA C 65 59.290 59.290 58.750 0.540 19869 2532 1 7 . 1 1 65 65 GLN CB C 65 28.450 28.450 28.935 -0.485 19869 2533 1 7 . 1 1 65 65 GLN H H 65 7.924 7.924 7.457 0.467 19869 2534 1 7 . 1 1 66 66 ILE N N 66 118.358 118.358 120.643 -2.285 19869 2535 1 7 . 1 1 66 66 ILE HA H 66 3.526 3.526 3.864 -0.338 19869 2536 1 7 . 1 1 66 66 ILE CA C 66 65.305 65.305 65.063 0.242 19869 2537 1 7 . 1 1 66 66 ILE H H 66 8.441 8.441 8.579 -0.138 19869 2538 1 7 . 1 1 67 67 ALA N N 67 121.518 121.518 121.879 -0.361 19869 2539 1 7 . 1 1 67 67 ALA HA H 67 4.025 4.025 4.018 0.007 19869 2540 1 7 . 1 1 67 67 ALA CA C 67 55.501 55.501 55.751 -0.250 19869 2541 1 7 . 1 1 67 67 ALA CB C 67 19.668 19.668 18.184 1.484 19869 2542 1 7 . 1 1 67 67 ALA H H 67 8.947 8.947 7.887 1.060 19869 2543 1 7 . 1 1 68 68 SER N N 68 112.523 112.523 114.598 -2.075 19869 2544 1 7 . 1 1 68 68 SER HA H 68 4.174 4.174 4.100 0.074 19869 2545 1 7 . 1 1 68 68 SER CA C 68 61.429 61.429 62.228 -0.799 19869 2546 1 7 . 1 1 68 68 SER CB C 68 63.011 63.011 62.625 0.386 19869 2547 1 7 . 1 1 68 68 SER H H 68 8.492 8.492 7.764 0.728 19869 2548 1 7 . 1 1 69 69 GLU N N 69 117.397 117.397 122.511 -5.114 19869 2549 1 7 . 1 1 69 69 GLU HA H 69 3.998 3.998 3.972 0.026 19869 2550 1 7 . 1 1 69 69 GLU CA C 69 59.181 59.181 59.480 -0.299 19869 2551 1 7 . 1 1 69 69 GLU CB C 69 28.760 28.760 29.650 -0.890 19869 2552 1 7 . 1 1 69 69 GLU H H 69 7.579 7.579 8.365 -0.786 19869 2553 1 7 . 1 1 70 70 TYR N N 70 120.853 120.853 118.113 2.740 19869 2554 1 7 . 1 1 70 70 TYR HA H 70 4.352 4.352 4.478 -0.126 19869 2555 1 7 . 1 1 70 70 TYR CA C 70 60.530 60.530 60.783 -0.253 19869 2556 1 7 . 1 1 70 70 TYR CB C 70 38.480 38.480 38.881 -0.401 19869 2557 1 7 . 1 1 70 70 TYR H H 70 8.635 8.635 7.955 0.680 19869 2558 1 7 . 1 1 71 71 LEU N N 71 119.400 119.400 121.536 -2.136 19869 2559 1 7 . 1 1 71 71 LEU HA H 71 3.554 3.554 3.886 -0.332 19869 2560 1 7 . 1 1 71 71 LEU CA C 71 58.368 58.368 58.540 -0.172 19869 2561 1 7 . 1 1 71 71 LEU CB C 71 40.564 40.564 42.081 -1.518 19869 2562 1 7 . 1 1 71 71 LEU H H 71 8.836 8.836 8.532 0.304 19869 2563 1 7 . 1 1 72 72 LYS N N 72 119.127 119.127 118.471 0.656 19869 2564 1 7 . 1 1 72 72 LYS HA H 72 4.095 4.095 4.062 0.033 19869 2565 1 7 . 1 1 72 72 LYS CA C 72 59.780 59.780 59.083 0.697 19869 2566 1 7 . 1 1 72 72 LYS CB C 72 32.640 32.640 32.031 0.609 19869 2567 1 7 . 1 1 72 72 LYS H H 72 7.957 7.957 7.890 0.067 19869 2568 1 7 . 1 1 73 73 LEU N N 73 122.487 122.487 118.953 3.534 19869 2569 1 7 . 1 1 73 73 LEU HA H 73 4.127 4.127 4.365 -0.238 19869 2570 1 7 . 1 1 73 73 LEU CA C 73 57.340 57.340 56.424 0.916 19869 2571 1 7 . 1 1 73 73 LEU CB C 73 41.020 41.020 42.383 -1.363 19869 2572 1 7 . 1 1 73 73 LEU H H 73 8.033 8.033 7.271 0.762 19869 2573 1 7 . 1 1 74 74 LYS N N 74 120.309 120.309 119.088 1.221 19869 2574 1 7 . 1 1 74 74 LYS HA H 74 3.759 3.759 4.242 -0.483 19869 2575 1 7 . 1 1 74 74 LYS CA C 74 60.700 60.700 59.003 1.697 19869 2576 1 7 . 1 1 74 74 LYS CB C 74 32.140 32.140 32.468 -0.328 19869 2577 1 7 . 1 1 74 74 LYS H H 74 8.750 8.750 7.658 1.092 19869 2578 1 7 . 1 1 75 75 GLU N N 75 118.296 118.296 119.947 -1.651 19869 2579 1 7 . 1 1 75 75 GLU HA H 75 4.098 4.098 4.052 0.046 19869 2580 1 7 . 1 1 75 75 GLU CA C 75 59.330 59.330 59.338 -0.008 19869 2581 1 7 . 1 1 75 75 GLU CB C 75 29.500 29.500 28.947 0.553 19869 2582 1 7 . 1 1 75 75 GLU H H 75 7.274 7.274 8.271 -0.997 19869 2583 1 7 . 1 1 76 76 GLU N N 76 120.788 120.788 119.013 1.775 19869 2584 1 7 . 1 1 76 76 GLU HA H 76 4.152 4.152 4.075 0.077 19869 2585 1 7 . 1 1 76 76 GLU CA C 76 59.082 59.082 58.864 0.218 19869 2586 1 7 . 1 1 76 76 GLU CB C 76 29.235 29.235 29.088 0.147 19869 2587 1 7 . 1 1 76 76 GLU H H 76 7.756 7.756 7.901 -0.145 19869 2588 1 7 . 1 1 77 77 TYR N N 77 121.399 121.399 122.419 -1.020 19869 2589 1 7 . 1 1 77 77 TYR HA H 77 4.210 4.210 4.209 0.001 19869 2590 1 7 . 1 1 77 77 TYR CA C 77 61.704 61.704 60.368 1.336 19869 2591 1 7 . 1 1 77 77 TYR CB C 77 38.889 38.889 38.344 0.545 19869 2592 1 7 . 1 1 77 77 TYR H H 77 9.401 9.401 7.565 1.836 19869 2593 1 7 . 1 1 78 78 GLN N N 78 118.068 118.068 116.256 1.812 19869 2594 1 7 . 1 1 78 78 GLN HA H 78 3.784 3.784 3.854 -0.070 19869 2595 1 7 . 1 1 78 78 GLN CA C 78 58.915 58.915 58.227 0.688 19869 2596 1 7 . 1 1 78 78 GLN CB C 78 27.880 27.880 28.157 -0.277 19869 2597 1 7 . 1 1 78 78 GLN H H 78 8.169 8.169 7.720 0.449 19869 2598 1 7 . 1 1 79 79 ARG N N 79 118.446 118.446 118.541 -0.095 19869 2599 1 7 . 1 1 79 79 ARG HA H 79 4.045 4.045 4.343 -0.298 19869 2600 1 7 . 1 1 79 79 ARG CA C 79 59.310 59.310 56.583 2.727 19869 2601 1 7 . 1 1 79 79 ARG CB C 79 30.220 30.220 30.379 -0.159 19869 2602 1 7 . 1 1 79 79 ARG H H 79 7.814 7.814 7.483 0.331 19869 2603 1 7 . 1 1 80 80 LEU N N 80 121.039 121.039 122.071 -1.032 19869 2604 1 7 . 1 1 80 80 LEU HA H 80 4.130 4.130 4.058 0.072 19869 2605 1 7 . 1 1 80 80 LEU CA C 80 57.689 57.689 58.099 -0.410 19869 2606 1 7 . 1 1 80 80 LEU CB C 80 41.670 41.670 42.002 -0.332 19869 2607 1 7 . 1 1 80 80 LEU H H 80 7.989 7.989 8.638 -0.649 19869 2608 1 7 . 1 1 81 81 ARG N N 81 117.498 117.498 116.413 1.085 19869 2609 1 7 . 1 1 81 81 ARG HA H 81 3.717 3.717 4.131 -0.414 19869 2610 1 7 . 1 1 81 81 ARG CA C 81 59.030 59.030 58.595 0.435 19869 2611 1 7 . 1 1 81 81 ARG CB C 81 29.500 29.500 30.266 -0.766 19869 2612 1 7 . 1 1 81 81 ARG H H 81 8.241 8.241 7.606 0.635 19869 2613 1 7 . 1 1 82 82 GLU N N 82 117.300 117.300 118.537 -1.237 19869 2614 1 7 . 1 1 82 82 GLU HA H 82 4.060 4.060 4.203 -0.143 19869 2615 1 7 . 1 1 82 82 GLU CA C 82 58.205 58.205 58.347 -0.142 19869 2616 1 7 . 1 1 82 82 GLU CB C 82 29.539 29.539 29.682 -0.143 19869 2617 1 7 . 1 1 82 82 GLU H H 82 7.671 7.671 7.667 0.004 19869 2618 1 7 . 1 1 83 83 GLN N N 83 117.205 117.205 118.351 -1.146 19869 2619 1 7 . 1 1 83 83 GLN HA H 83 4.192 4.192 4.207 -0.015 19869 2620 1 7 . 1 1 83 83 GLN CA C 83 56.940 56.940 58.103 -1.163 19869 2621 1 7 . 1 1 83 83 GLN CB C 83 29.110 29.110 28.681 0.429 19869 2622 1 7 . 1 1 83 83 GLN H H 83 7.745 7.745 8.529 -0.784 19869 2623 1 7 . 1 1 84 84 LEU N N 84 120.465 120.465 118.593 1.872 19869 2624 1 7 . 1 1 84 84 LEU HA H 84 4.301 4.301 4.417 -0.116 19869 2625 1 7 . 1 1 84 84 LEU CA C 84 55.180 55.180 54.965 0.215 19869 2626 1 7 . 1 1 84 84 LEU CB C 84 42.190 42.190 42.323 -0.133 19869 2627 1 7 . 1 1 84 84 LEU H H 84 7.500 7.500 7.916 -0.416 19869 2628 1 7 . 1 1 85 85 LYS N N 85 126.524 126.524 120.445 6.079 19869 2629 1 7 . 1 1 85 85 LYS HA H 85 4.063 4.063 4.355 -0.292 19869 2630 1 7 . 1 1 85 85 LYS CA C 85 57.499 57.499 56.106 1.393 19869 2631 1 7 . 1 1 85 85 LYS CB C 85 33.640 33.640 33.743 -0.103 19869 2632 1 7 . 1 1 85 85 LYS H H 85 7.525 7.525 7.375 0.150 19869 2633 1 8 . 1 1 8 8 PRO HA H 8 4.396 4.396 4.494 -0.098 19869 2634 1 8 . 1 1 8 8 PRO CA C 8 63.046 63.046 62.450 0.596 19869 2635 1 8 . 1 1 8 8 PRO CB C 8 32.151 32.151 32.396 -0.245 19869 2636 1 8 . 1 1 9 9 LYS N N 9 121.282 121.282 119.098 2.184 19869 2637 1 8 . 1 1 9 9 LYS HA H 9 4.373 4.373 4.020 0.353 19869 2638 1 8 . 1 1 9 9 LYS CA C 9 56.140 56.140 57.090 -0.950 19869 2639 1 8 . 1 1 9 9 LYS CB C 9 33.680 33.680 31.574 2.106 19869 2640 1 8 . 1 1 9 9 LYS H H 9 8.363 8.363 8.225 0.138 19869 2641 1 8 . 1 1 10 10 THR N N 10 117.787 117.787 118.228 -0.441 19869 2642 1 8 . 1 1 10 10 THR HA H 10 4.357 4.357 4.482 -0.125 19869 2643 1 8 . 1 1 10 10 THR CA C 10 61.620 61.620 60.046 1.574 19869 2644 1 8 . 1 1 10 10 THR CB C 10 70.393 70.393 71.642 -1.249 19869 2645 1 8 . 1 1 10 10 THR H H 10 8.675 8.675 8.325 0.350 19869 2646 1 8 . 1 1 11 11 ARG N N 11 123.980 123.980 125.327 -1.347 19869 2647 1 8 . 1 1 11 11 ARG HA H 11 5.043 5.043 5.131 -0.088 19869 2648 1 8 . 1 1 11 11 ARG CA C 11 55.142 55.142 55.087 0.055 19869 2649 1 8 . 1 1 11 11 ARG CB C 11 32.130 32.130 31.441 0.689 19869 2650 1 8 . 1 1 11 11 ARG H H 11 8.322 8.322 8.449 -0.127 19869 2651 1 8 . 1 1 12 12 VAL N N 12 124.311 124.311 121.974 2.337 19869 2652 1 8 . 1 1 12 12 VAL HA H 12 4.410 4.410 4.483 -0.073 19869 2653 1 8 . 1 1 12 12 VAL CA C 12 60.866 60.866 60.223 0.643 19869 2654 1 8 . 1 1 12 12 VAL CB C 12 35.447 35.447 36.036 -0.590 19869 2655 1 8 . 1 1 12 12 VAL H H 12 8.853 8.853 9.182 -0.329 19869 2656 1 8 . 1 1 13 13 SER N N 13 122.286 122.286 123.181 -0.895 19869 2657 1 8 . 1 1 13 13 SER HA H 13 5.435 5.435 5.331 0.104 19869 2658 1 8 . 1 1 13 13 SER CA C 13 57.199 57.199 57.970 -0.771 19869 2659 1 8 . 1 1 13 13 SER CB C 13 63.535 63.535 63.805 -0.270 19869 2660 1 8 . 1 1 13 13 SER H H 13 8.581 8.581 8.589 -0.008 19869 2661 1 8 . 1 1 14 14 VAL N N 14 119.340 119.340 120.392 -1.052 19869 2662 1 8 . 1 1 14 14 VAL HA H 14 4.491 4.491 4.571 -0.080 19869 2663 1 8 . 1 1 14 14 VAL CA C 14 56.271 56.271 59.520 -3.249 19869 2664 1 8 . 1 1 14 14 VAL CB C 14 35.709 35.709 35.379 0.330 19869 2665 1 8 . 1 1 14 14 VAL H H 14 9.154 9.154 9.129 0.025 19869 2666 1 8 . 1 1 15 15 ARG N N 15 123.689 123.689 125.395 -1.706 19869 2667 1 8 . 1 1 15 15 ARG HA H 15 5.333 5.333 5.119 0.214 19869 2668 1 8 . 1 1 15 15 ARG CA C 15 54.830 54.830 55.571 -0.741 19869 2669 1 8 . 1 1 15 15 ARG CB C 15 31.780 31.780 31.003 0.777 19869 2670 1 8 . 1 1 15 15 ARG H H 15 8.467 8.467 8.573 -0.106 19869 2671 1 8 . 1 1 16 16 ILE N N 16 125.117 125.117 125.456 -0.339 19869 2672 1 8 . 1 1 16 16 ILE HA H 16 4.189 4.189 4.445 -0.256 19869 2673 1 8 . 1 1 16 16 ILE CA C 16 61.240 61.240 60.707 0.533 19869 2674 1 8 . 1 1 16 16 ILE CB C 16 41.680 41.680 40.147 1.533 19869 2675 1 8 . 1 1 16 16 ILE H H 16 9.174 9.174 9.127 0.047 19869 2676 1 8 . 1 1 17 17 TYR N N 17 137.064 137.064 129.109 7.955 19869 2677 1 8 . 1 1 17 17 TYR HA H 17 3.836 3.836 4.215 -0.379 19869 2678 1 8 . 1 1 17 17 TYR CA C 17 59.876 59.876 59.815 0.062 19869 2679 1 8 . 1 1 17 17 TYR CB C 17 39.379 39.379 37.027 2.352 19869 2680 1 8 . 1 1 17 17 TYR H H 17 10.623 10.623 9.930 0.693 19869 2681 1 8 . 1 1 18 18 GLY N N 18 102.991 102.991 103.891 -0.900 19869 2682 1 8 . 1 1 18 18 GLY CA C 18 45.674 45.674 44.901 0.773 19869 2683 1 8 . 1 1 18 18 GLY H H 18 8.604 8.604 8.650 -0.046 19869 2684 1 8 . 1 1 19 19 GLN N N 19 119.104 119.104 121.160 -2.056 19869 2685 1 8 . 1 1 19 19 GLN HA H 19 4.566 4.566 4.576 -0.010 19869 2686 1 8 . 1 1 19 19 GLN CA C 19 53.719 53.719 54.207 -0.488 19869 2687 1 8 . 1 1 19 19 GLN CB C 19 32.230 32.230 31.874 0.356 19869 2688 1 8 . 1 1 19 19 GLN H H 19 7.724 7.724 7.840 -0.116 19869 2689 1 8 . 1 1 20 20 ASP N N 20 121.913 121.913 123.708 -1.795 19869 2690 1 8 . 1 1 20 20 ASP HA H 20 5.340 5.340 4.963 0.377 19869 2691 1 8 . 1 1 20 20 ASP CA C 20 54.370 54.370 53.478 0.891 19869 2692 1 8 . 1 1 20 20 ASP CB C 20 42.600 42.600 41.790 0.810 19869 2693 1 8 . 1 1 20 20 ASP H H 20 8.217 8.217 8.322 -0.105 19869 2694 1 8 . 1 1 21 21 TYR N N 21 120.801 120.801 125.027 -4.226 19869 2695 1 8 . 1 1 21 21 TYR HA H 21 4.538 4.538 4.790 -0.252 19869 2696 1 8 . 1 1 21 21 TYR CA C 21 57.640 57.640 56.322 1.317 19869 2697 1 8 . 1 1 21 21 TYR CB C 21 42.201 42.201 42.528 -0.327 19869 2698 1 8 . 1 1 21 21 TYR H H 21 9.330 9.330 9.138 0.192 19869 2699 1 8 . 1 1 22 22 THR N N 22 118.813 118.813 117.221 1.592 19869 2700 1 8 . 1 1 22 22 THR HA H 22 4.390 4.390 5.031 -0.641 19869 2701 1 8 . 1 1 22 22 THR CA C 22 63.230 63.230 61.425 1.805 19869 2702 1 8 . 1 1 22 22 THR CB C 22 69.380 69.380 68.457 0.923 19869 2703 1 8 . 1 1 22 22 THR H H 22 8.888 8.888 8.518 0.370 19869 2704 1 8 . 1 1 23 23 ILE N N 23 129.291 129.291 121.320 7.971 19869 2705 1 8 . 1 1 23 23 ILE HA H 23 4.268 4.268 4.795 -0.527 19869 2706 1 8 . 1 1 23 23 ILE CA C 23 59.121 59.121 58.906 0.215 19869 2707 1 8 . 1 1 23 23 ILE CB C 23 37.060 37.060 41.677 -4.617 19869 2708 1 8 . 1 1 23 23 ILE H H 23 9.212 9.212 9.196 0.016 19869 2709 1 8 . 1 1 24 24 VAL N N 24 127.112 127.112 121.168 5.944 19869 2710 1 8 . 1 1 24 24 VAL HA H 24 5.073 5.073 4.220 0.853 19869 2711 1 8 . 1 1 24 24 VAL CA C 24 60.246 60.246 62.985 -2.739 19869 2712 1 8 . 1 1 24 24 VAL CB C 24 33.415 33.415 31.660 1.755 19869 2713 1 8 . 1 1 24 24 VAL H H 24 8.345 8.345 8.551 -0.206 19869 2714 1 8 . 1 1 25 25 GLY N N 25 113.745 113.745 117.529 -3.784 19869 2715 1 8 . 1 1 25 25 GLY CA C 25 45.920 45.920 44.463 1.457 19869 2716 1 8 . 1 1 25 25 GLY H H 25 8.540 8.540 9.226 -0.686 19869 2717 1 8 . 1 1 26 26 ALA N N 26 123.321 123.321 125.126 -1.805 19869 2718 1 8 . 1 1 26 26 ALA HA H 26 4.644 4.644 4.434 0.210 19869 2719 1 8 . 1 1 26 26 ALA CA C 26 51.639 51.639 52.413 -0.773 19869 2720 1 8 . 1 1 26 26 ALA CB C 26 19.725 19.725 17.732 1.993 19869 2721 1 8 . 1 1 26 26 ALA H H 26 8.593 8.593 7.821 0.772 19869 2722 1 8 . 1 1 27 27 GLU N N 27 118.135 118.135 119.501 -1.366 19869 2723 1 8 . 1 1 27 27 GLU HA H 27 4.302 4.302 4.501 -0.199 19869 2724 1 8 . 1 1 27 27 GLU CA C 27 55.670 55.670 56.833 -1.163 19869 2725 1 8 . 1 1 27 27 GLU CB C 27 30.724 30.724 31.445 -0.721 19869 2726 1 8 . 1 1 27 27 GLU H H 27 8.120 8.120 8.345 -0.225 19869 2727 1 8 . 1 1 28 28 SER N N 28 115.651 115.651 114.191 1.460 19869 2728 1 8 . 1 1 28 28 SER HA H 28 4.700 4.700 4.675 0.025 19869 2729 1 8 . 1 1 28 28 SER CA C 28 56.044 56.044 56.289 -0.245 19869 2730 1 8 . 1 1 28 28 SER H H 28 8.723 8.723 7.825 0.898 19869 2731 1 8 . 1 1 29 29 PRO HA H 29 4.111 4.111 4.339 -0.228 19869 2732 1 8 . 1 1 29 29 PRO CA C 29 65.792 65.792 64.915 0.877 19869 2733 1 8 . 1 1 29 29 PRO CB C 29 31.750 31.750 31.891 -0.141 19869 2734 1 8 . 1 1 30 30 ALA N N 30 117.252 117.252 120.427 -3.175 19869 2735 1 8 . 1 1 30 30 ALA HA H 30 4.028 4.028 4.222 -0.194 19869 2736 1 8 . 1 1 30 30 ALA CA C 30 55.258 55.258 54.255 1.003 19869 2737 1 8 . 1 1 30 30 ALA CB C 30 18.240 18.240 18.620 -0.380 19869 2738 1 8 . 1 1 30 30 ALA H H 30 7.994 7.994 7.544 0.450 19869 2739 1 8 . 1 1 31 31 HIS N N 31 119.161 119.161 120.114 -0.953 19869 2740 1 8 . 1 1 31 31 HIS HA H 31 4.278 4.278 4.299 -0.021 19869 2741 1 8 . 1 1 31 31 HIS CA C 31 59.697 59.697 58.418 1.279 19869 2742 1 8 . 1 1 31 31 HIS CB C 31 30.320 30.320 29.775 0.545 19869 2743 1 8 . 1 1 31 31 HIS H H 31 7.902 7.902 8.202 -0.300 19869 2744 1 8 . 1 1 32 32 ILE N N 32 118.000 118.000 115.961 2.039 19869 2745 1 8 . 1 1 32 32 ILE HA H 32 3.478 3.478 3.825 -0.347 19869 2746 1 8 . 1 1 32 32 ILE CA C 32 63.480 63.480 64.112 -0.632 19869 2747 1 8 . 1 1 32 32 ILE CB C 32 36.290 36.290 37.148 -0.858 19869 2748 1 8 . 1 1 32 32 ILE H H 32 8.092 8.092 7.979 0.113 19869 2749 1 8 . 1 1 33 33 ARG N N 33 118.612 118.612 118.838 -0.226 19869 2750 1 8 . 1 1 33 33 ARG HA H 33 3.911 3.911 4.239 -0.328 19869 2751 1 8 . 1 1 33 33 ARG CA C 33 60.741 60.741 58.733 2.009 19869 2752 1 8 . 1 1 33 33 ARG CB C 33 29.839 29.839 30.450 -0.611 19869 2753 1 8 . 1 1 33 33 ARG H H 33 8.436 8.436 7.879 0.557 19869 2754 1 8 . 1 1 34 34 LEU N N 34 122.935 122.935 117.451 5.484 19869 2755 1 8 . 1 1 34 34 LEU HA H 34 4.154 4.154 4.589 -0.435 19869 2756 1 8 . 1 1 34 34 LEU CA C 34 57.400 57.400 57.062 0.338 19869 2757 1 8 . 1 1 34 34 LEU CB C 34 41.998 41.998 41.885 0.113 19869 2758 1 8 . 1 1 34 34 LEU H H 34 7.565 7.565 7.819 -0.254 19869 2759 1 8 . 1 1 35 35 VAL N N 35 121.579 121.579 121.918 -0.339 19869 2760 1 8 . 1 1 35 35 VAL HA H 35 3.333 3.333 3.622 -0.289 19869 2761 1 8 . 1 1 35 35 VAL CA C 35 66.440 66.440 67.480 -1.040 19869 2762 1 8 . 1 1 35 35 VAL CB C 35 31.149 31.149 30.883 0.266 19869 2763 1 8 . 1 1 35 35 VAL H H 35 8.414 8.414 7.727 0.687 19869 2764 1 8 . 1 1 36 36 ALA N N 36 121.368 121.368 120.768 0.600 19869 2765 1 8 . 1 1 36 36 ALA HA H 36 3.794 3.794 4.088 -0.294 19869 2766 1 8 . 1 1 36 36 ALA CA C 36 55.555 55.555 55.090 0.465 19869 2767 1 8 . 1 1 36 36 ALA CB C 36 18.310 18.310 18.055 0.255 19869 2768 1 8 . 1 1 36 36 ALA H H 36 8.791 8.791 8.033 0.758 19869 2769 1 8 . 1 1 37 37 ALA N N 37 119.373 119.373 121.311 -1.938 19869 2770 1 8 . 1 1 37 37 ALA HA H 37 4.305 4.305 4.048 0.257 19869 2771 1 8 . 1 1 37 37 ALA CA C 37 54.825 54.825 54.790 0.035 19869 2772 1 8 . 1 1 37 37 ALA CB C 37 18.020 18.020 18.374 -0.354 19869 2773 1 8 . 1 1 37 37 ALA H H 37 7.648 7.648 8.105 -0.457 19869 2774 1 8 . 1 1 38 38 PHE N N 38 120.906 120.906 119.517 1.389 19869 2775 1 8 . 1 1 38 38 PHE HA H 38 4.449 4.449 4.229 0.220 19869 2776 1 8 . 1 1 38 38 PHE CA C 38 61.148 61.148 60.131 1.017 19869 2777 1 8 . 1 1 38 38 PHE CB C 38 39.350 39.350 39.260 0.090 19869 2778 1 8 . 1 1 38 38 PHE H H 38 7.923 7.923 7.947 -0.024 19869 2779 1 8 . 1 1 39 39 VAL N N 39 119.731 119.731 119.584 0.147 19869 2780 1 8 . 1 1 39 39 VAL HA H 39 3.219 3.219 3.201 0.018 19869 2781 1 8 . 1 1 39 39 VAL CA C 39 67.520 67.520 66.820 0.700 19869 2782 1 8 . 1 1 39 39 VAL CB C 39 32.059 32.059 31.349 0.710 19869 2783 1 8 . 1 1 39 39 VAL H H 39 8.482 8.482 7.469 1.013 19869 2784 1 8 . 1 1 40 40 ASP N N 40 120.200 120.200 120.415 -0.215 19869 2785 1 8 . 1 1 40 40 ASP HA H 40 4.449 4.449 4.394 0.055 19869 2786 1 8 . 1 1 40 40 ASP CA C 40 58.600 58.600 58.254 0.346 19869 2787 1 8 . 1 1 40 40 ASP CB C 40 43.300 43.300 40.981 2.319 19869 2788 1 8 . 1 1 40 40 ASP H H 40 8.851 8.851 8.176 0.675 19869 2789 1 8 . 1 1 41 41 ASP N N 41 120.967 120.967 120.631 0.336 19869 2790 1 8 . 1 1 41 41 ASP HA H 41 4.532 4.532 4.289 0.243 19869 2791 1 8 . 1 1 41 41 ASP CA C 41 57.860 57.860 57.361 0.499 19869 2792 1 8 . 1 1 41 41 ASP CB C 41 40.560 40.560 40.875 -0.315 19869 2793 1 8 . 1 1 41 41 ASP H H 41 8.743 8.743 7.991 0.752 19869 2794 1 8 . 1 1 42 42 LYS N N 42 120.600 120.600 119.135 1.465 19869 2795 1 8 . 1 1 42 42 LYS HA H 42 3.967 3.967 3.766 0.201 19869 2796 1 8 . 1 1 42 42 LYS CA C 42 57.880 57.880 58.679 -0.799 19869 2797 1 8 . 1 1 42 42 LYS CB C 42 31.440 31.440 31.969 -0.529 19869 2798 1 8 . 1 1 42 42 LYS H H 42 7.990 7.990 7.482 0.508 19869 2799 1 8 . 1 1 43 43 MET N N 43 119.600 119.600 117.684 1.916 19869 2800 1 8 . 1 1 43 43 MET HA H 43 3.957 3.957 4.056 -0.099 19869 2801 1 8 . 1 1 43 43 MET CA C 43 55.600 55.600 59.476 -3.876 19869 2802 1 8 . 1 1 43 43 MET CB C 43 33.950 33.950 32.500 1.450 19869 2803 1 8 . 1 1 43 43 MET H H 43 8.844 8.844 8.457 0.387 19869 2804 1 8 . 1 1 44 44 HIS N N 44 115.981 115.981 119.778 -3.797 19869 2805 1 8 . 1 1 44 44 HIS HA H 44 4.408 4.408 4.333 0.075 19869 2806 1 8 . 1 1 44 44 HIS CA C 44 61.250 61.250 60.650 0.600 19869 2807 1 8 . 1 1 44 44 HIS CB C 44 28.045 28.045 30.394 -2.349 19869 2808 1 8 . 1 1 44 44 HIS H H 44 8.296 8.296 8.602 -0.306 19869 2809 1 8 . 1 1 45 45 GLU N N 45 122.501 122.501 116.222 6.279 19869 2810 1 8 . 1 1 45 45 GLU HA H 45 4.034 4.034 4.308 -0.274 19869 2811 1 8 . 1 1 45 45 GLU CA C 45 59.580 59.580 57.434 2.146 19869 2812 1 8 . 1 1 45 45 GLU CB C 45 29.533 29.533 29.700 -0.167 19869 2813 1 8 . 1 1 45 45 GLU H H 45 8.399 8.399 8.006 0.393 19869 2814 1 8 . 1 1 46 46 PHE N N 46 118.451 118.451 117.091 1.360 19869 2815 1 8 . 1 1 46 46 PHE HA H 46 4.183 4.183 4.728 -0.545 19869 2816 1 8 . 1 1 46 46 PHE CA C 46 61.689 61.689 58.207 3.482 19869 2817 1 8 . 1 1 46 46 PHE CB C 46 38.979 38.979 39.961 -0.982 19869 2818 1 8 . 1 1 46 46 PHE H H 46 8.320 8.320 7.417 0.903 19869 2819 1 8 . 1 1 47 47 SER N N 47 114.878 114.878 115.906 -1.028 19869 2820 1 8 . 1 1 47 47 SER HA H 47 4.111 4.111 4.219 -0.108 19869 2821 1 8 . 1 1 47 47 SER CA C 47 60.281 60.281 61.836 -1.555 19869 2822 1 8 . 1 1 47 47 SER CB C 47 63.321 63.321 62.720 0.601 19869 2823 1 8 . 1 1 47 47 SER H H 47 8.278 8.278 8.541 -0.263 19869 2824 1 8 . 1 1 48 48 GLU N N 48 118.579 118.579 119.595 -1.016 19869 2825 1 8 . 1 1 48 48 GLU HA H 48 4.059 4.059 4.249 -0.190 19869 2826 1 8 . 1 1 48 48 GLU CA C 48 58.641 58.641 58.443 0.198 19869 2827 1 8 . 1 1 48 48 GLU CB C 48 29.720 29.720 29.123 0.597 19869 2828 1 8 . 1 1 48 48 GLU H H 48 7.651 7.651 8.303 -0.652 19869 2829 1 8 . 1 1 49 49 LYS N N 49 116.048 116.048 117.520 -1.472 19869 2830 1 8 . 1 1 49 49 LYS HA H 49 4.211 4.211 4.274 -0.063 19869 2831 1 8 . 1 1 49 49 LYS CA C 49 57.580 57.580 55.164 2.416 19869 2832 1 8 . 1 1 49 49 LYS CB C 49 33.450 33.450 31.986 1.464 19869 2833 1 8 . 1 1 49 49 LYS H H 49 7.281 7.281 7.577 -0.296 19869 2834 1 8 . 1 1 50 50 GLN N N 50 117.953 117.953 116.838 1.115 19869 2835 1 8 . 1 1 50 50 GLN HA H 50 4.249 4.249 4.028 0.221 19869 2836 1 8 . 1 1 50 50 GLN CA C 50 55.610 55.610 55.835 -0.225 19869 2837 1 8 . 1 1 50 50 GLN CB C 50 30.050 30.050 26.261 3.789 19869 2838 1 8 . 1 1 50 50 GLN H H 50 7.930 7.930 7.449 0.480 19869 2839 1 8 . 1 1 51 51 PRO HA H 51 4.597 4.597 4.226 0.371 19869 2840 1 8 . 1 1 51 51 PRO CA C 51 63.600 63.600 64.989 -1.389 19869 2841 1 8 . 1 1 51 51 PRO CB C 51 32.522 32.522 31.976 0.546 19869 2842 1 8 . 1 1 52 52 MET N N 52 115.230 115.230 114.933 0.297 19869 2843 1 8 . 1 1 52 52 MET HA H 52 4.513 4.513 4.702 -0.189 19869 2844 1 8 . 1 1 52 52 MET CA C 52 55.505 55.505 54.203 1.302 19869 2845 1 8 . 1 1 52 52 MET CB C 52 30.920 30.920 32.356 -1.436 19869 2846 1 8 . 1 1 52 52 MET H H 52 8.558 8.558 7.882 0.676 19869 2847 1 8 . 1 1 53 53 LEU N N 53 120.540 120.540 118.822 1.718 19869 2848 1 8 . 1 1 53 53 LEU HA H 53 4.252 4.252 3.963 0.289 19869 2849 1 8 . 1 1 53 53 LEU CA C 53 55.690 55.690 55.220 0.470 19869 2850 1 8 . 1 1 53 53 LEU CB C 53 42.728 42.728 40.829 1.899 19869 2851 1 8 . 1 1 53 53 LEU H H 53 7.557 7.557 7.879 -0.322 19869 2852 1 8 . 1 1 54 54 ASP N N 54 121.294 121.294 117.479 3.815 19869 2853 1 8 . 1 1 54 54 ASP HA H 54 4.640 4.640 4.840 -0.200 19869 2854 1 8 . 1 1 54 54 ASP CA C 54 52.280 52.280 52.970 -0.690 19869 2855 1 8 . 1 1 54 54 ASP CB C 54 41.330 41.330 43.166 -1.836 19869 2856 1 8 . 1 1 54 54 ASP H H 54 7.941 7.941 7.683 0.258 19869 2857 1 8 . 1 1 55 55 VAL N N 55 118.701 118.701 124.077 -5.376 19869 2858 1 8 . 1 1 55 55 VAL HA H 55 4.277 4.277 3.869 0.408 19869 2859 1 8 . 1 1 55 55 VAL CA C 55 62.510 62.510 66.642 -4.132 19869 2860 1 8 . 1 1 55 55 VAL CB C 55 29.900 29.900 29.856 0.044 19869 2861 1 8 . 1 1 55 55 VAL H H 55 8.444 8.444 8.642 -0.198 19869 2862 1 8 . 1 1 56 56 PRO HA H 56 3.981 3.981 4.125 -0.144 19869 2863 1 8 . 1 1 56 56 PRO CA C 56 66.840 66.840 65.900 0.940 19869 2864 1 8 . 1 1 56 56 PRO CB C 56 30.875 30.875 30.976 -0.101 19869 2865 1 8 . 1 1 57 57 LYS N N 57 114.335 114.335 116.454 -2.119 19869 2866 1 8 . 1 1 57 57 LYS HA H 57 4.213 4.213 4.192 0.021 19869 2867 1 8 . 1 1 57 57 LYS CA C 57 60.027 60.027 57.836 2.191 19869 2868 1 8 . 1 1 57 57 LYS CB C 57 33.700 33.700 31.396 2.304 19869 2869 1 8 . 1 1 57 57 LYS H H 57 7.224 7.224 7.894 -0.670 19869 2870 1 8 . 1 1 58 58 LEU N N 58 119.010 119.010 121.116 -2.106 19869 2871 1 8 . 1 1 58 58 LEU HA H 58 3.714 3.714 4.222 -0.508 19869 2872 1 8 . 1 1 58 58 LEU CA C 58 57.900 57.900 56.829 1.071 19869 2873 1 8 . 1 1 58 58 LEU CB C 58 42.966 42.966 41.061 1.905 19869 2874 1 8 . 1 1 58 58 LEU H H 58 8.369 8.369 7.689 0.680 19869 2875 1 8 . 1 1 59 59 ALA N N 59 122.559 122.559 121.843 0.716 19869 2876 1 8 . 1 1 59 59 ALA HA H 59 3.720 3.720 4.075 -0.355 19869 2877 1 8 . 1 1 59 59 ALA CA C 59 55.510 55.510 54.912 0.598 19869 2878 1 8 . 1 1 59 59 ALA CB C 59 19.020 19.020 18.584 0.436 19869 2879 1 8 . 1 1 59 59 ALA H H 59 8.686 8.686 8.186 0.500 19869 2880 1 8 . 1 1 60 60 VAL N N 60 118.664 118.664 115.104 3.560 19869 2881 1 8 . 1 1 60 60 VAL HA H 60 3.251 3.251 3.883 -0.632 19869 2882 1 8 . 1 1 60 60 VAL CA C 60 67.397 67.397 65.097 2.300 19869 2883 1 8 . 1 1 60 60 VAL CB C 60 31.340 31.340 30.899 0.441 19869 2884 1 8 . 1 1 60 60 VAL H H 60 7.777 7.777 7.515 0.262 19869 2885 1 8 . 1 1 61 61 LEU N N 61 118.415 118.415 121.827 -3.412 19869 2886 1 8 . 1 1 61 61 LEU HA H 61 3.553 3.553 4.151 -0.598 19869 2887 1 8 . 1 1 61 61 LEU CA C 61 58.150 58.150 58.350 -0.200 19869 2888 1 8 . 1 1 61 61 LEU CB C 61 40.340 40.340 41.813 -1.474 19869 2889 1 8 . 1 1 61 61 LEU H H 61 8.328 8.328 7.481 0.847 19869 2890 1 8 . 1 1 62 62 THR N N 62 117.416 117.416 114.569 2.847 19869 2891 1 8 . 1 1 62 62 THR HA H 62 4.130 4.130 3.960 0.170 19869 2892 1 8 . 1 1 62 62 THR CA C 62 67.220 67.220 66.138 1.082 19869 2893 1 8 . 1 1 62 62 THR CB C 62 68.364 68.364 67.894 0.470 19869 2894 1 8 . 1 1 62 62 THR H H 62 7.787 7.787 7.693 0.094 19869 2895 1 8 . 1 1 63 63 ALA N N 63 124.319 124.319 124.114 0.205 19869 2896 1 8 . 1 1 63 63 ALA HA H 63 3.746 3.746 4.075 -0.329 19869 2897 1 8 . 1 1 63 63 ALA CA C 63 56.243 56.243 54.949 1.294 19869 2898 1 8 . 1 1 63 63 ALA CB C 63 17.121 17.121 18.131 -1.010 19869 2899 1 8 . 1 1 63 63 ALA H H 63 8.175 8.175 7.500 0.675 19869 2900 1 8 . 1 1 64 64 VAL N N 64 116.756 116.756 118.867 -2.111 19869 2901 1 8 . 1 1 64 64 VAL HA H 64 3.324 3.324 3.752 -0.428 19869 2902 1 8 . 1 1 64 64 VAL CA C 64 66.543 66.543 65.629 0.914 19869 2903 1 8 . 1 1 64 64 VAL CB C 64 31.340 31.340 31.852 -0.512 19869 2904 1 8 . 1 1 64 64 VAL H H 64 8.422 8.422 7.773 0.649 19869 2905 1 8 . 1 1 65 65 GLN N N 65 120.091 120.091 120.188 -0.097 19869 2906 1 8 . 1 1 65 65 GLN HA H 65 4.015 4.015 4.133 -0.118 19869 2907 1 8 . 1 1 65 65 GLN CA C 65 59.290 59.290 59.177 0.113 19869 2908 1 8 . 1 1 65 65 GLN CB C 65 28.450 28.450 28.716 -0.266 19869 2909 1 8 . 1 1 65 65 GLN H H 65 7.924 7.924 7.488 0.436 19869 2910 1 8 . 1 1 66 66 ILE N N 66 118.358 118.358 120.326 -1.968 19869 2911 1 8 . 1 1 66 66 ILE HA H 66 3.526 3.526 3.700 -0.174 19869 2912 1 8 . 1 1 66 66 ILE CA C 66 65.305 65.305 64.954 0.351 19869 2913 1 8 . 1 1 66 66 ILE H H 66 8.441 8.441 8.135 0.306 19869 2914 1 8 . 1 1 67 67 ALA N N 67 121.518 121.518 121.124 0.394 19869 2915 1 8 . 1 1 67 67 ALA HA H 67 4.025 4.025 4.076 -0.051 19869 2916 1 8 . 1 1 67 67 ALA CA C 67 55.501 55.501 55.350 0.151 19869 2917 1 8 . 1 1 67 67 ALA CB C 67 19.668 19.668 18.079 1.589 19869 2918 1 8 . 1 1 67 67 ALA H H 67 8.947 8.947 7.951 0.996 19869 2919 1 8 . 1 1 68 68 SER N N 68 112.523 112.523 114.111 -1.588 19869 2920 1 8 . 1 1 68 68 SER HA H 68 4.174 4.174 4.241 -0.067 19869 2921 1 8 . 1 1 68 68 SER CA C 68 61.429 61.429 61.649 -0.220 19869 2922 1 8 . 1 1 68 68 SER CB C 68 63.011 63.011 62.896 0.115 19869 2923 1 8 . 1 1 68 68 SER H H 68 8.492 8.492 7.781 0.711 19869 2924 1 8 . 1 1 69 69 GLU N N 69 117.397 117.397 119.933 -2.536 19869 2925 1 8 . 1 1 69 69 GLU HA H 69 3.998 3.998 4.164 -0.166 19869 2926 1 8 . 1 1 69 69 GLU CA C 69 59.181 59.181 58.064 1.117 19869 2927 1 8 . 1 1 69 69 GLU CB C 69 28.760 28.760 29.684 -0.924 19869 2928 1 8 . 1 1 69 69 GLU H H 69 7.579 7.579 7.979 -0.400 19869 2929 1 8 . 1 1 70 70 TYR N N 70 120.853 120.853 118.377 2.476 19869 2930 1 8 . 1 1 70 70 TYR HA H 70 4.352 4.352 4.547 -0.195 19869 2931 1 8 . 1 1 70 70 TYR CA C 70 60.530 60.530 59.934 0.596 19869 2932 1 8 . 1 1 70 70 TYR CB C 70 38.480 38.480 39.531 -1.050 19869 2933 1 8 . 1 1 70 70 TYR H H 70 8.635 8.635 7.661 0.974 19869 2934 1 8 . 1 1 71 71 LEU N N 71 119.400 119.400 119.757 -0.357 19869 2935 1 8 . 1 1 71 71 LEU HA H 71 3.554 3.554 4.038 -0.484 19869 2936 1 8 . 1 1 71 71 LEU CA C 71 58.368 58.368 57.691 0.677 19869 2937 1 8 . 1 1 71 71 LEU CB C 71 40.564 40.564 41.908 -1.344 19869 2938 1 8 . 1 1 71 71 LEU H H 71 8.836 8.836 8.160 0.676 19869 2939 1 8 . 1 1 72 72 LYS N N 72 119.127 119.127 118.393 0.734 19869 2940 1 8 . 1 1 72 72 LYS HA H 72 4.095 4.095 4.162 -0.067 19869 2941 1 8 . 1 1 72 72 LYS CA C 72 59.780 59.780 58.849 0.931 19869 2942 1 8 . 1 1 72 72 LYS CB C 72 32.640 32.640 32.148 0.492 19869 2943 1 8 . 1 1 72 72 LYS H H 72 7.957 7.957 7.624 0.333 19869 2944 1 8 . 1 1 73 73 LEU N N 73 122.487 122.487 122.151 0.336 19869 2945 1 8 . 1 1 73 73 LEU HA H 73 4.127 4.127 4.190 -0.063 19869 2946 1 8 . 1 1 73 73 LEU CA C 73 57.340 57.340 58.083 -0.743 19869 2947 1 8 . 1 1 73 73 LEU CB C 73 41.020 41.020 41.874 -0.854 19869 2948 1 8 . 1 1 73 73 LEU H H 73 8.033 8.033 7.488 0.545 19869 2949 1 8 . 1 1 74 74 LYS N N 74 120.309 120.309 117.491 2.818 19869 2950 1 8 . 1 1 74 74 LYS HA H 74 3.759 3.759 4.169 -0.410 19869 2951 1 8 . 1 1 74 74 LYS CA C 74 60.700 60.700 59.377 1.323 19869 2952 1 8 . 1 1 74 74 LYS CB C 74 32.140 32.140 31.887 0.253 19869 2953 1 8 . 1 1 74 74 LYS H H 74 8.750 8.750 7.633 1.117 19869 2954 1 8 . 1 1 75 75 GLU N N 75 118.296 118.296 120.864 -2.568 19869 2955 1 8 . 1 1 75 75 GLU HA H 75 4.098 4.098 4.101 -0.003 19869 2956 1 8 . 1 1 75 75 GLU CA C 75 59.330 59.330 59.112 0.218 19869 2957 1 8 . 1 1 75 75 GLU CB C 75 29.500 29.500 29.413 0.087 19869 2958 1 8 . 1 1 75 75 GLU H H 75 7.274 7.274 7.790 -0.516 19869 2959 1 8 . 1 1 76 76 GLU N N 76 120.788 120.788 120.110 0.678 19869 2960 1 8 . 1 1 76 76 GLU HA H 76 4.152 4.152 4.044 0.108 19869 2961 1 8 . 1 1 76 76 GLU CA C 76 59.082 59.082 59.117 -0.035 19869 2962 1 8 . 1 1 76 76 GLU CB C 76 29.235 29.235 28.912 0.323 19869 2963 1 8 . 1 1 76 76 GLU H H 76 7.756 7.756 7.944 -0.188 19869 2964 1 8 . 1 1 77 77 TYR N N 77 121.399 121.399 121.840 -0.441 19869 2965 1 8 . 1 1 77 77 TYR HA H 77 4.210 4.210 4.185 0.025 19869 2966 1 8 . 1 1 77 77 TYR CA C 77 61.704 61.704 60.202 1.502 19869 2967 1 8 . 1 1 77 77 TYR CB C 77 38.889 38.889 38.343 0.546 19869 2968 1 8 . 1 1 77 77 TYR H H 77 9.401 9.401 7.715 1.686 19869 2969 1 8 . 1 1 78 78 GLN N N 78 118.068 118.068 117.558 0.510 19869 2970 1 8 . 1 1 78 78 GLN HA H 78 3.784 3.784 3.723 0.061 19869 2971 1 8 . 1 1 78 78 GLN CA C 78 58.915 58.915 58.813 0.102 19869 2972 1 8 . 1 1 78 78 GLN CB C 78 27.880 27.880 28.248 -0.368 19869 2973 1 8 . 1 1 78 78 GLN H H 78 8.169 8.169 7.801 0.368 19869 2974 1 8 . 1 1 79 79 ARG N N 79 118.446 118.446 120.683 -2.237 19869 2975 1 8 . 1 1 79 79 ARG HA H 79 4.045 4.045 4.385 -0.340 19869 2976 1 8 . 1 1 79 79 ARG CA C 79 59.310 59.310 58.345 0.965 19869 2977 1 8 . 1 1 79 79 ARG CB C 79 30.220 30.220 29.950 0.270 19869 2978 1 8 . 1 1 79 79 ARG H H 79 7.814 7.814 7.932 -0.118 19869 2979 1 8 . 1 1 80 80 LEU N N 80 121.039 121.039 120.002 1.037 19869 2980 1 8 . 1 1 80 80 LEU HA H 80 4.130 4.130 4.214 -0.084 19869 2981 1 8 . 1 1 80 80 LEU CA C 80 57.689 57.689 57.772 -0.083 19869 2982 1 8 . 1 1 80 80 LEU CB C 80 41.670 41.670 42.099 -0.429 19869 2983 1 8 . 1 1 80 80 LEU H H 80 7.989 7.989 8.184 -0.195 19869 2984 1 8 . 1 1 81 81 ARG N N 81 117.498 117.498 119.065 -1.567 19869 2985 1 8 . 1 1 81 81 ARG HA H 81 3.717 3.717 4.063 -0.346 19869 2986 1 8 . 1 1 81 81 ARG CA C 81 59.030 59.030 58.641 0.389 19869 2987 1 8 . 1 1 81 81 ARG CB C 81 29.500 29.500 30.013 -0.513 19869 2988 1 8 . 1 1 81 81 ARG H H 81 8.241 8.241 8.262 -0.021 19869 2989 1 8 . 1 1 82 82 GLU N N 82 117.300 117.300 118.630 -1.330 19869 2990 1 8 . 1 1 82 82 GLU HA H 82 4.060 4.060 4.104 -0.044 19869 2991 1 8 . 1 1 82 82 GLU CA C 82 58.205 58.205 58.773 -0.568 19869 2992 1 8 . 1 1 82 82 GLU CB C 82 29.539 29.539 28.914 0.625 19869 2993 1 8 . 1 1 82 82 GLU H H 82 7.671 7.671 8.041 -0.370 19869 2994 1 8 . 1 1 83 83 GLN N N 83 117.205 117.205 118.107 -0.902 19869 2995 1 8 . 1 1 83 83 GLN HA H 83 4.192 4.192 4.229 -0.037 19869 2996 1 8 . 1 1 83 83 GLN CA C 83 56.940 56.940 57.474 -0.534 19869 2997 1 8 . 1 1 83 83 GLN CB C 83 29.110 29.110 28.721 0.389 19869 2998 1 8 . 1 1 83 83 GLN H H 83 7.745 7.745 7.443 0.302 19869 2999 1 8 . 1 1 84 84 LEU N N 84 120.465 120.465 119.141 1.324 19869 3000 1 8 . 1 1 84 84 LEU HA H 84 4.301 4.301 4.495 -0.194 19869 3001 1 8 . 1 1 84 84 LEU CA C 84 55.180 55.180 54.791 0.389 19869 3002 1 8 . 1 1 84 84 LEU CB C 84 42.190 42.190 41.245 0.945 19869 3003 1 8 . 1 1 84 84 LEU H H 84 7.500 7.500 7.623 -0.123 19869 3004 1 8 . 1 1 85 85 LYS N N 85 126.524 126.524 118.549 7.975 19869 3005 1 8 . 1 1 85 85 LYS HA H 85 4.063 4.063 4.624 -0.561 19869 3006 1 8 . 1 1 85 85 LYS CA C 85 57.499 57.499 55.110 2.389 19869 3007 1 8 . 1 1 85 85 LYS CB C 85 33.640 33.640 35.444 -1.804 19869 3008 1 8 . 1 1 85 85 LYS H H 85 7.525 7.525 7.265 0.260 19869 3009 1 9 . 1 1 8 8 PRO HA H 8 4.396 4.396 4.550 -0.154 19869 3010 1 9 . 1 1 8 8 PRO CA C 8 63.046 63.046 62.260 0.786 19869 3011 1 9 . 1 1 8 8 PRO CB C 8 32.151 32.151 32.499 -0.348 19869 3012 1 9 . 1 1 9 9 LYS N N 9 121.282 121.282 119.713 1.569 19869 3013 1 9 . 1 1 9 9 LYS HA H 9 4.373 4.373 4.125 0.248 19869 3014 1 9 . 1 1 9 9 LYS CA C 9 56.140 56.140 56.828 -0.688 19869 3015 1 9 . 1 1 9 9 LYS CB C 9 33.680 33.680 32.033 1.647 19869 3016 1 9 . 1 1 9 9 LYS H H 9 8.363 8.363 8.327 0.036 19869 3017 1 9 . 1 1 10 10 THR N N 10 117.787 117.787 117.350 0.437 19869 3018 1 9 . 1 1 10 10 THR HA H 10 4.357 4.357 4.507 -0.150 19869 3019 1 9 . 1 1 10 10 THR CA C 10 61.620 61.620 60.034 1.586 19869 3020 1 9 . 1 1 10 10 THR CB C 10 70.393 70.393 71.622 -1.229 19869 3021 1 9 . 1 1 10 10 THR H H 10 8.675 8.675 8.257 0.418 19869 3022 1 9 . 1 1 11 11 ARG N N 11 123.980 123.980 124.940 -0.960 19869 3023 1 9 . 1 1 11 11 ARG HA H 11 5.043 5.043 5.106 -0.063 19869 3024 1 9 . 1 1 11 11 ARG CA C 11 55.142 55.142 54.894 0.248 19869 3025 1 9 . 1 1 11 11 ARG CB C 11 32.130 32.130 32.168 -0.038 19869 3026 1 9 . 1 1 11 11 ARG H H 11 8.322 8.322 8.447 -0.125 19869 3027 1 9 . 1 1 12 12 VAL N N 12 124.311 124.311 121.645 2.666 19869 3028 1 9 . 1 1 12 12 VAL HA H 12 4.410 4.410 4.524 -0.114 19869 3029 1 9 . 1 1 12 12 VAL CA C 12 60.866 60.866 60.478 0.388 19869 3030 1 9 . 1 1 12 12 VAL CB C 12 35.447 35.447 36.225 -0.778 19869 3031 1 9 . 1 1 12 12 VAL H H 12 8.853 8.853 9.139 -0.286 19869 3032 1 9 . 1 1 13 13 SER N N 13 122.286 122.286 124.131 -1.845 19869 3033 1 9 . 1 1 13 13 SER HA H 13 5.435 5.435 5.260 0.175 19869 3034 1 9 . 1 1 13 13 SER CA C 13 57.199 57.199 57.993 -0.794 19869 3035 1 9 . 1 1 13 13 SER CB C 13 63.535 63.535 63.635 -0.100 19869 3036 1 9 . 1 1 13 13 SER H H 13 8.581 8.581 8.629 -0.048 19869 3037 1 9 . 1 1 14 14 VAL N N 14 119.340 119.340 122.213 -2.873 19869 3038 1 9 . 1 1 14 14 VAL HA H 14 4.491 4.491 4.644 -0.153 19869 3039 1 9 . 1 1 14 14 VAL CA C 14 56.271 56.271 59.350 -3.079 19869 3040 1 9 . 1 1 14 14 VAL CB C 14 35.709 35.709 34.609 1.100 19869 3041 1 9 . 1 1 14 14 VAL H H 14 9.154 9.154 8.891 0.263 19869 3042 1 9 . 1 1 15 15 ARG N N 15 123.689 123.689 122.980 0.709 19869 3043 1 9 . 1 1 15 15 ARG HA H 15 5.333 5.333 4.958 0.375 19869 3044 1 9 . 1 1 15 15 ARG CA C 15 54.830 54.830 55.292 -0.462 19869 3045 1 9 . 1 1 15 15 ARG CB C 15 31.780 31.780 31.452 0.328 19869 3046 1 9 . 1 1 15 15 ARG H H 15 8.467 8.467 8.450 0.017 19869 3047 1 9 . 1 1 16 16 ILE N N 16 125.117 125.117 125.694 -0.577 19869 3048 1 9 . 1 1 16 16 ILE HA H 16 4.189 4.189 4.441 -0.252 19869 3049 1 9 . 1 1 16 16 ILE CA C 16 61.240 61.240 61.028 0.212 19869 3050 1 9 . 1 1 16 16 ILE CB C 16 41.680 41.680 41.324 0.356 19869 3051 1 9 . 1 1 16 16 ILE H H 16 9.174 9.174 9.172 0.002 19869 3052 1 9 . 1 1 17 17 TYR N N 17 137.064 137.064 126.791 10.273 19869 3053 1 9 . 1 1 17 17 TYR HA H 17 3.836 3.836 4.225 -0.389 19869 3054 1 9 . 1 1 17 17 TYR CA C 17 59.876 59.876 59.798 0.078 19869 3055 1 9 . 1 1 17 17 TYR CB C 17 39.379 39.379 37.119 2.260 19869 3056 1 9 . 1 1 17 17 TYR H H 17 10.623 10.623 9.387 1.236 19869 3057 1 9 . 1 1 18 18 GLY N N 18 102.991 102.991 105.160 -2.169 19869 3058 1 9 . 1 1 18 18 GLY CA C 18 45.674 45.674 44.940 0.734 19869 3059 1 9 . 1 1 18 18 GLY H H 18 8.604 8.604 8.606 -0.002 19869 3060 1 9 . 1 1 19 19 GLN N N 19 119.104 119.104 122.107 -3.003 19869 3061 1 9 . 1 1 19 19 GLN HA H 19 4.566 4.566 4.437 0.129 19869 3062 1 9 . 1 1 19 19 GLN CA C 19 53.719 53.719 55.228 -1.509 19869 3063 1 9 . 1 1 19 19 GLN CB C 19 32.230 32.230 29.978 2.252 19869 3064 1 9 . 1 1 19 19 GLN H H 19 7.724 7.724 7.972 -0.248 19869 3065 1 9 . 1 1 20 20 ASP N N 20 121.913 121.913 119.313 2.600 19869 3066 1 9 . 1 1 20 20 ASP HA H 20 5.340 5.340 5.201 0.139 19869 3067 1 9 . 1 1 20 20 ASP CA C 20 54.370 54.370 52.870 1.500 19869 3068 1 9 . 1 1 20 20 ASP CB C 20 42.600 42.600 42.583 0.017 19869 3069 1 9 . 1 1 20 20 ASP H H 20 8.217 8.217 8.192 0.025 19869 3070 1 9 . 1 1 21 21 TYR N N 21 120.801 120.801 119.750 1.051 19869 3071 1 9 . 1 1 21 21 TYR HA H 21 4.538 4.538 4.802 -0.264 19869 3072 1 9 . 1 1 21 21 TYR CA C 21 57.640 57.640 56.958 0.682 19869 3073 1 9 . 1 1 21 21 TYR CB C 21 42.201 42.201 42.352 -0.151 19869 3074 1 9 . 1 1 21 21 TYR H H 21 9.330 9.330 9.142 0.188 19869 3075 1 9 . 1 1 22 22 THR N N 22 118.813 118.813 121.562 -2.749 19869 3076 1 9 . 1 1 22 22 THR HA H 22 4.390 4.390 4.963 -0.573 19869 3077 1 9 . 1 1 22 22 THR CA C 22 63.230 63.230 62.635 0.595 19869 3078 1 9 . 1 1 22 22 THR CB C 22 69.380 69.380 68.749 0.631 19869 3079 1 9 . 1 1 22 22 THR H H 22 8.888 8.888 8.657 0.231 19869 3080 1 9 . 1 1 23 23 ILE N N 23 129.291 129.291 123.345 5.946 19869 3081 1 9 . 1 1 23 23 ILE HA H 23 4.268 4.268 4.776 -0.508 19869 3082 1 9 . 1 1 23 23 ILE CA C 23 59.121 59.121 58.835 0.286 19869 3083 1 9 . 1 1 23 23 ILE CB C 23 37.060 37.060 41.282 -4.222 19869 3084 1 9 . 1 1 23 23 ILE H H 23 9.212 9.212 9.156 0.056 19869 3085 1 9 . 1 1 24 24 VAL N N 24 127.112 127.112 119.839 7.273 19869 3086 1 9 . 1 1 24 24 VAL HA H 24 5.073 5.073 4.184 0.889 19869 3087 1 9 . 1 1 24 24 VAL CA C 24 60.246 60.246 62.731 -2.485 19869 3088 1 9 . 1 1 24 24 VAL CB C 24 33.415 33.415 31.527 1.888 19869 3089 1 9 . 1 1 24 24 VAL H H 24 8.345 8.345 8.445 -0.100 19869 3090 1 9 . 1 1 25 25 GLY N N 25 113.745 113.745 117.214 -3.469 19869 3091 1 9 . 1 1 25 25 GLY CA C 25 45.920 45.920 44.204 1.716 19869 3092 1 9 . 1 1 25 25 GLY H H 25 8.540 8.540 8.798 -0.258 19869 3093 1 9 . 1 1 26 26 ALA N N 26 123.321 123.321 125.267 -1.946 19869 3094 1 9 . 1 1 26 26 ALA HA H 26 4.644 4.644 4.317 0.327 19869 3095 1 9 . 1 1 26 26 ALA CA C 26 51.639 51.639 52.073 -0.434 19869 3096 1 9 . 1 1 26 26 ALA CB C 26 19.725 19.725 17.440 2.285 19869 3097 1 9 . 1 1 26 26 ALA H H 26 8.593 8.593 8.139 0.454 19869 3098 1 9 . 1 1 27 27 GLU N N 27 118.135 118.135 122.132 -3.997 19869 3099 1 9 . 1 1 27 27 GLU HA H 27 4.302 4.302 4.353 -0.051 19869 3100 1 9 . 1 1 27 27 GLU CA C 27 55.670 55.670 56.604 -0.934 19869 3101 1 9 . 1 1 27 27 GLU CB C 27 30.724 30.724 30.955 -0.231 19869 3102 1 9 . 1 1 27 27 GLU H H 27 8.120 8.120 8.074 0.046 19869 3103 1 9 . 1 1 28 28 SER N N 28 115.651 115.651 112.534 3.117 19869 3104 1 9 . 1 1 28 28 SER HA H 28 4.700 4.700 4.858 -0.158 19869 3105 1 9 . 1 1 28 28 SER CA C 28 56.044 56.044 56.644 -0.600 19869 3106 1 9 . 1 1 28 28 SER H H 28 8.723 8.723 7.887 0.836 19869 3107 1 9 . 1 1 29 29 PRO HA H 29 4.111 4.111 4.215 -0.104 19869 3108 1 9 . 1 1 29 29 PRO CA C 29 65.792 65.792 65.852 -0.060 19869 3109 1 9 . 1 1 29 29 PRO CB C 29 31.750 31.750 31.838 -0.088 19869 3110 1 9 . 1 1 30 30 ALA N N 30 117.252 117.252 120.432 -3.180 19869 3111 1 9 . 1 1 30 30 ALA HA H 30 4.028 4.028 4.201 -0.173 19869 3112 1 9 . 1 1 30 30 ALA CA C 30 55.258 55.258 54.696 0.562 19869 3113 1 9 . 1 1 30 30 ALA CB C 30 18.240 18.240 18.062 0.178 19869 3114 1 9 . 1 1 30 30 ALA H H 30 7.994 7.994 8.424 -0.430 19869 3115 1 9 . 1 1 31 31 HIS N N 31 119.161 119.161 119.092 0.069 19869 3116 1 9 . 1 1 31 31 HIS HA H 31 4.278 4.278 4.338 -0.060 19869 3117 1 9 . 1 1 31 31 HIS CA C 31 59.697 59.697 59.619 0.078 19869 3118 1 9 . 1 1 31 31 HIS CB C 31 30.320 30.320 29.836 0.484 19869 3119 1 9 . 1 1 31 31 HIS H H 31 7.902 7.902 8.186 -0.284 19869 3120 1 9 . 1 1 32 32 ILE N N 32 118.000 118.000 115.000 3.000 19869 3121 1 9 . 1 1 32 32 ILE HA H 32 3.478 3.478 3.984 -0.506 19869 3122 1 9 . 1 1 32 32 ILE CA C 32 63.480 63.480 63.602 -0.122 19869 3123 1 9 . 1 1 32 32 ILE CB C 32 36.290 36.290 37.670 -1.380 19869 3124 1 9 . 1 1 32 32 ILE H H 32 8.092 8.092 8.418 -0.326 19869 3125 1 9 . 1 1 33 33 ARG N N 33 118.612 118.612 120.348 -1.736 19869 3126 1 9 . 1 1 33 33 ARG HA H 33 3.911 3.911 4.201 -0.290 19869 3127 1 9 . 1 1 33 33 ARG CA C 33 60.741 60.741 58.412 2.329 19869 3128 1 9 . 1 1 33 33 ARG CB C 33 29.839 29.839 29.956 -0.117 19869 3129 1 9 . 1 1 33 33 ARG H H 33 8.436 8.436 7.316 1.120 19869 3130 1 9 . 1 1 34 34 LEU N N 34 122.935 122.935 118.589 4.346 19869 3131 1 9 . 1 1 34 34 LEU HA H 34 4.154 4.154 4.243 -0.089 19869 3132 1 9 . 1 1 34 34 LEU CA C 34 57.400 57.400 57.937 -0.537 19869 3133 1 9 . 1 1 34 34 LEU CB C 34 41.998 41.998 40.914 1.084 19869 3134 1 9 . 1 1 34 34 LEU H H 34 7.565 7.565 7.497 0.068 19869 3135 1 9 . 1 1 35 35 VAL N N 35 121.579 121.579 120.694 0.885 19869 3136 1 9 . 1 1 35 35 VAL HA H 35 3.333 3.333 3.580 -0.247 19869 3137 1 9 . 1 1 35 35 VAL CA C 35 66.440 66.440 67.404 -0.964 19869 3138 1 9 . 1 1 35 35 VAL CB C 35 31.149 31.149 31.003 0.146 19869 3139 1 9 . 1 1 35 35 VAL H H 35 8.414 8.414 7.537 0.877 19869 3140 1 9 . 1 1 36 36 ALA N N 36 121.368 121.368 121.549 -0.181 19869 3141 1 9 . 1 1 36 36 ALA HA H 36 3.794 3.794 4.082 -0.288 19869 3142 1 9 . 1 1 36 36 ALA CA C 36 55.555 55.555 55.221 0.334 19869 3143 1 9 . 1 1 36 36 ALA CB C 36 18.310 18.310 17.912 0.398 19869 3144 1 9 . 1 1 36 36 ALA H H 36 8.791 8.791 7.641 1.150 19869 3145 1 9 . 1 1 37 37 ALA N N 37 119.373 119.373 121.785 -2.412 19869 3146 1 9 . 1 1 37 37 ALA HA H 37 4.305 4.305 4.053 0.252 19869 3147 1 9 . 1 1 37 37 ALA CA C 37 54.825 54.825 55.072 -0.247 19869 3148 1 9 . 1 1 37 37 ALA CB C 37 18.020 18.020 18.553 -0.533 19869 3149 1 9 . 1 1 37 37 ALA H H 37 7.648 7.648 7.622 0.026 19869 3150 1 9 . 1 1 38 38 PHE N N 38 120.906 120.906 119.593 1.313 19869 3151 1 9 . 1 1 38 38 PHE HA H 38 4.449 4.449 4.203 0.246 19869 3152 1 9 . 1 1 38 38 PHE CA C 38 61.148 61.148 61.377 -0.229 19869 3153 1 9 . 1 1 38 38 PHE CB C 38 39.350 39.350 39.482 -0.132 19869 3154 1 9 . 1 1 38 38 PHE H H 38 7.923 7.923 8.356 -0.433 19869 3155 1 9 . 1 1 39 39 VAL N N 39 119.731 119.731 119.132 0.599 19869 3156 1 9 . 1 1 39 39 VAL HA H 39 3.219 3.219 3.479 -0.260 19869 3157 1 9 . 1 1 39 39 VAL CA C 39 67.520 67.520 66.622 0.898 19869 3158 1 9 . 1 1 39 39 VAL CB C 39 32.059 32.059 30.968 1.091 19869 3159 1 9 . 1 1 39 39 VAL H H 39 8.482 8.482 7.894 0.588 19869 3160 1 9 . 1 1 40 40 ASP N N 40 120.200 120.200 119.665 0.535 19869 3161 1 9 . 1 1 40 40 ASP HA H 40 4.449 4.449 4.421 0.028 19869 3162 1 9 . 1 1 40 40 ASP CA C 40 58.600 58.600 57.946 0.654 19869 3163 1 9 . 1 1 40 40 ASP CB C 40 43.300 43.300 41.041 2.259 19869 3164 1 9 . 1 1 40 40 ASP H H 40 8.851 8.851 8.506 0.345 19869 3165 1 9 . 1 1 41 41 ASP N N 41 120.967 120.967 120.033 0.934 19869 3166 1 9 . 1 1 41 41 ASP HA H 41 4.532 4.532 4.436 0.096 19869 3167 1 9 . 1 1 41 41 ASP CA C 41 57.860 57.860 56.511 1.349 19869 3168 1 9 . 1 1 41 41 ASP CB C 41 40.560 40.560 40.921 -0.361 19869 3169 1 9 . 1 1 41 41 ASP H H 41 8.743 8.743 8.080 0.663 19869 3170 1 9 . 1 1 42 42 LYS N N 42 120.600 120.600 119.328 1.272 19869 3171 1 9 . 1 1 42 42 LYS HA H 42 3.967 3.967 3.860 0.107 19869 3172 1 9 . 1 1 42 42 LYS CA C 42 57.880 57.880 58.718 -0.838 19869 3173 1 9 . 1 1 42 42 LYS CB C 42 31.440 31.440 32.188 -0.748 19869 3174 1 9 . 1 1 42 42 LYS H H 42 7.990 7.990 7.737 0.253 19869 3175 1 9 . 1 1 43 43 MET N N 43 119.600 119.600 118.502 1.098 19869 3176 1 9 . 1 1 43 43 MET HA H 43 3.957 3.957 4.077 -0.120 19869 3177 1 9 . 1 1 43 43 MET CA C 43 55.600 55.600 59.699 -4.099 19869 3178 1 9 . 1 1 43 43 MET CB C 43 33.950 33.950 32.555 1.395 19869 3179 1 9 . 1 1 43 43 MET H H 43 8.844 8.844 8.459 0.385 19869 3180 1 9 . 1 1 44 44 HIS N N 44 115.981 115.981 116.222 -0.241 19869 3181 1 9 . 1 1 44 44 HIS HA H 44 4.408 4.408 4.666 -0.258 19869 3182 1 9 . 1 1 44 44 HIS CA C 44 61.250 61.250 57.890 3.360 19869 3183 1 9 . 1 1 44 44 HIS CB C 44 28.045 28.045 28.769 -0.724 19869 3184 1 9 . 1 1 44 44 HIS H H 44 8.296 8.296 8.074 0.222 19869 3185 1 9 . 1 1 45 45 GLU N N 45 122.501 122.501 120.773 1.728 19869 3186 1 9 . 1 1 45 45 GLU HA H 45 4.034 4.034 3.890 0.144 19869 3187 1 9 . 1 1 45 45 GLU CA C 45 59.580 59.580 58.694 0.886 19869 3188 1 9 . 1 1 45 45 GLU CB C 45 29.533 29.533 29.208 0.325 19869 3189 1 9 . 1 1 45 45 GLU H H 45 8.399 8.399 7.355 1.044 19869 3190 1 9 . 1 1 46 46 PHE N N 46 118.451 118.451 118.308 0.143 19869 3191 1 9 . 1 1 46 46 PHE HA H 46 4.183 4.183 4.483 -0.300 19869 3192 1 9 . 1 1 46 46 PHE CA C 46 61.689 61.689 60.365 1.324 19869 3193 1 9 . 1 1 46 46 PHE CB C 46 38.979 38.979 38.803 0.176 19869 3194 1 9 . 1 1 46 46 PHE H H 46 8.320 8.320 8.061 0.259 19869 3195 1 9 . 1 1 47 47 SER N N 47 114.878 114.878 114.697 0.181 19869 3196 1 9 . 1 1 47 47 SER HA H 47 4.111 4.111 4.232 -0.121 19869 3197 1 9 . 1 1 47 47 SER CA C 47 60.281 60.281 61.230 -0.949 19869 3198 1 9 . 1 1 47 47 SER CB C 47 63.321 63.321 62.884 0.437 19869 3199 1 9 . 1 1 47 47 SER H H 47 8.278 8.278 7.745 0.533 19869 3200 1 9 . 1 1 48 48 GLU N N 48 118.579 118.579 118.922 -0.343 19869 3201 1 9 . 1 1 48 48 GLU HA H 48 4.059 4.059 4.253 -0.194 19869 3202 1 9 . 1 1 48 48 GLU CA C 48 58.641 58.641 58.310 0.331 19869 3203 1 9 . 1 1 48 48 GLU CB C 48 29.720 29.720 29.867 -0.147 19869 3204 1 9 . 1 1 48 48 GLU H H 48 7.651 7.651 7.556 0.095 19869 3205 1 9 . 1 1 49 49 LYS N N 49 116.048 116.048 116.604 -0.556 19869 3206 1 9 . 1 1 49 49 LYS HA H 49 4.211 4.211 4.299 -0.088 19869 3207 1 9 . 1 1 49 49 LYS CA C 49 57.580 57.580 56.126 1.454 19869 3208 1 9 . 1 1 49 49 LYS CB C 49 33.450 33.450 32.978 0.472 19869 3209 1 9 . 1 1 49 49 LYS H H 49 7.281 7.281 7.529 -0.248 19869 3210 1 9 . 1 1 50 50 GLN N N 50 117.953 117.953 116.999 0.954 19869 3211 1 9 . 1 1 50 50 GLN HA H 50 4.249 4.249 4.135 0.114 19869 3212 1 9 . 1 1 50 50 GLN CA C 50 55.610 55.610 55.526 0.084 19869 3213 1 9 . 1 1 50 50 GLN CB C 50 30.050 30.050 27.358 2.692 19869 3214 1 9 . 1 1 50 50 GLN H H 50 7.930 7.930 7.716 0.214 19869 3215 1 9 . 1 1 51 51 PRO HA H 51 4.597 4.597 4.240 0.357 19869 3216 1 9 . 1 1 51 51 PRO CA C 51 63.600 63.600 64.952 -1.352 19869 3217 1 9 . 1 1 51 51 PRO CB C 51 32.522 32.522 32.101 0.421 19869 3218 1 9 . 1 1 52 52 MET N N 52 115.230 115.230 116.757 -1.527 19869 3219 1 9 . 1 1 52 52 MET HA H 52 4.513 4.513 4.667 -0.154 19869 3220 1 9 . 1 1 52 52 MET CA C 52 55.505 55.505 54.736 0.769 19869 3221 1 9 . 1 1 52 52 MET CB C 52 30.920 30.920 33.359 -2.439 19869 3222 1 9 . 1 1 52 52 MET H H 52 8.558 8.558 7.958 0.600 19869 3223 1 9 . 1 1 53 53 LEU N N 53 120.540 120.540 118.793 1.747 19869 3224 1 9 . 1 1 53 53 LEU HA H 53 4.252 4.252 4.107 0.145 19869 3225 1 9 . 1 1 53 53 LEU CA C 53 55.690 55.690 55.505 0.185 19869 3226 1 9 . 1 1 53 53 LEU CB C 53 42.728 42.728 41.166 1.562 19869 3227 1 9 . 1 1 53 53 LEU H H 53 7.557 7.557 7.953 -0.396 19869 3228 1 9 . 1 1 54 54 ASP N N 54 121.294 121.294 118.270 3.024 19869 3229 1 9 . 1 1 54 54 ASP HA H 54 4.640 4.640 4.750 -0.110 19869 3230 1 9 . 1 1 54 54 ASP CA C 54 52.280 52.280 53.183 -0.903 19869 3231 1 9 . 1 1 54 54 ASP CB C 54 41.330 41.330 43.133 -1.803 19869 3232 1 9 . 1 1 54 54 ASP H H 54 7.941 7.941 7.796 0.145 19869 3233 1 9 . 1 1 55 55 VAL N N 55 118.701 118.701 125.355 -6.654 19869 3234 1 9 . 1 1 55 55 VAL HA H 55 4.277 4.277 3.922 0.355 19869 3235 1 9 . 1 1 55 55 VAL CA C 55 62.510 62.510 66.615 -4.105 19869 3236 1 9 . 1 1 55 55 VAL CB C 55 29.900 29.900 30.203 -0.303 19869 3237 1 9 . 1 1 55 55 VAL H H 55 8.444 8.444 8.499 -0.055 19869 3238 1 9 . 1 1 56 56 PRO HA H 56 3.981 3.981 4.250 -0.269 19869 3239 1 9 . 1 1 56 56 PRO CA C 56 66.840 66.840 65.945 0.895 19869 3240 1 9 . 1 1 56 56 PRO CB C 56 30.875 30.875 30.931 -0.056 19869 3241 1 9 . 1 1 57 57 LYS N N 57 114.335 114.335 115.199 -0.864 19869 3242 1 9 . 1 1 57 57 LYS HA H 57 4.213 4.213 4.163 0.050 19869 3243 1 9 . 1 1 57 57 LYS CA C 57 60.027 60.027 57.719 2.308 19869 3244 1 9 . 1 1 57 57 LYS CB C 57 33.700 33.700 31.293 2.407 19869 3245 1 9 . 1 1 57 57 LYS H H 57 7.224 7.224 8.485 -1.261 19869 3246 1 9 . 1 1 58 58 LEU N N 58 119.010 119.010 120.876 -1.866 19869 3247 1 9 . 1 1 58 58 LEU HA H 58 3.714 3.714 4.159 -0.445 19869 3248 1 9 . 1 1 58 58 LEU CA C 58 57.900 57.900 57.120 0.781 19869 3249 1 9 . 1 1 58 58 LEU CB C 58 42.966 42.966 41.901 1.065 19869 3250 1 9 . 1 1 58 58 LEU H H 58 8.369 8.369 7.615 0.754 19869 3251 1 9 . 1 1 59 59 ALA N N 59 122.559 122.559 122.378 0.181 19869 3252 1 9 . 1 1 59 59 ALA HA H 59 3.720 3.720 4.085 -0.365 19869 3253 1 9 . 1 1 59 59 ALA CA C 59 55.510 55.510 54.930 0.580 19869 3254 1 9 . 1 1 59 59 ALA CB C 59 19.020 19.020 18.517 0.503 19869 3255 1 9 . 1 1 59 59 ALA H H 59 8.686 8.686 8.218 0.468 19869 3256 1 9 . 1 1 60 60 VAL N N 60 118.664 118.664 115.236 3.428 19869 3257 1 9 . 1 1 60 60 VAL HA H 60 3.251 3.251 3.769 -0.518 19869 3258 1 9 . 1 1 60 60 VAL CA C 60 67.397 67.397 65.158 2.239 19869 3259 1 9 . 1 1 60 60 VAL CB C 60 31.340 31.340 30.767 0.573 19869 3260 1 9 . 1 1 60 60 VAL H H 60 7.777 7.777 7.560 0.217 19869 3261 1 9 . 1 1 61 61 LEU N N 61 118.415 118.415 121.442 -3.027 19869 3262 1 9 . 1 1 61 61 LEU HA H 61 3.553 3.553 4.013 -0.460 19869 3263 1 9 . 1 1 61 61 LEU CA C 61 58.150 58.150 58.042 0.108 19869 3264 1 9 . 1 1 61 61 LEU CB C 61 40.340 40.340 41.793 -1.453 19869 3265 1 9 . 1 1 61 61 LEU H H 61 8.328 8.328 7.351 0.977 19869 3266 1 9 . 1 1 62 62 THR N N 62 117.416 117.416 112.831 4.585 19869 3267 1 9 . 1 1 62 62 THR HA H 62 4.130 4.130 4.025 0.105 19869 3268 1 9 . 1 1 62 62 THR CA C 62 67.220 67.220 65.271 1.949 19869 3269 1 9 . 1 1 62 62 THR CB C 62 68.364 68.364 68.417 -0.053 19869 3270 1 9 . 1 1 62 62 THR H H 62 7.787 7.787 7.826 -0.039 19869 3271 1 9 . 1 1 63 63 ALA N N 63 124.319 124.319 124.534 -0.215 19869 3272 1 9 . 1 1 63 63 ALA HA H 63 3.746 3.746 4.088 -0.342 19869 3273 1 9 . 1 1 63 63 ALA CA C 63 56.243 56.243 55.000 1.243 19869 3274 1 9 . 1 1 63 63 ALA CB C 63 17.121 17.121 18.134 -1.013 19869 3275 1 9 . 1 1 63 63 ALA H H 63 8.175 8.175 7.639 0.536 19869 3276 1 9 . 1 1 64 64 VAL N N 64 116.756 116.756 117.826 -1.070 19869 3277 1 9 . 1 1 64 64 VAL HA H 64 3.324 3.324 3.736 -0.412 19869 3278 1 9 . 1 1 64 64 VAL CA C 64 66.543 66.543 64.775 1.768 19869 3279 1 9 . 1 1 64 64 VAL CB C 64 31.340 31.340 31.995 -0.655 19869 3280 1 9 . 1 1 64 64 VAL H H 64 8.422 8.422 7.485 0.937 19869 3281 1 9 . 1 1 65 65 GLN N N 65 120.091 120.091 120.095 -0.004 19869 3282 1 9 . 1 1 65 65 GLN HA H 65 4.015 4.015 4.105 -0.090 19869 3283 1 9 . 1 1 65 65 GLN CA C 65 59.290 59.290 58.803 0.487 19869 3284 1 9 . 1 1 65 65 GLN CB C 65 28.450 28.450 28.858 -0.408 19869 3285 1 9 . 1 1 65 65 GLN H H 65 7.924 7.924 7.465 0.459 19869 3286 1 9 . 1 1 66 66 ILE N N 66 118.358 118.358 120.030 -1.672 19869 3287 1 9 . 1 1 66 66 ILE HA H 66 3.526 3.526 3.766 -0.240 19869 3288 1 9 . 1 1 66 66 ILE CA C 66 65.305 65.305 64.883 0.422 19869 3289 1 9 . 1 1 66 66 ILE H H 66 8.441 8.441 8.534 -0.093 19869 3290 1 9 . 1 1 67 67 ALA N N 67 121.518 121.518 121.403 0.115 19869 3291 1 9 . 1 1 67 67 ALA HA H 67 4.025 4.025 4.119 -0.094 19869 3292 1 9 . 1 1 67 67 ALA CA C 67 55.501 55.501 55.495 0.006 19869 3293 1 9 . 1 1 67 67 ALA CB C 67 19.668 19.668 18.299 1.369 19869 3294 1 9 . 1 1 67 67 ALA H H 67 8.947 8.947 7.713 1.234 19869 3295 1 9 . 1 1 68 68 SER N N 68 112.523 112.523 113.427 -0.904 19869 3296 1 9 . 1 1 68 68 SER HA H 68 4.174 4.174 4.210 -0.036 19869 3297 1 9 . 1 1 68 68 SER CA C 68 61.429 61.429 61.561 -0.132 19869 3298 1 9 . 1 1 68 68 SER CB C 68 63.011 63.011 62.618 0.393 19869 3299 1 9 . 1 1 68 68 SER H H 68 8.492 8.492 7.831 0.661 19869 3300 1 9 . 1 1 69 69 GLU N N 69 117.397 117.397 122.170 -4.773 19869 3301 1 9 . 1 1 69 69 GLU HA H 69 3.998 3.998 4.066 -0.068 19869 3302 1 9 . 1 1 69 69 GLU CA C 69 59.181 59.181 59.127 0.054 19869 3303 1 9 . 1 1 69 69 GLU CB C 69 28.760 28.760 29.316 -0.556 19869 3304 1 9 . 1 1 69 69 GLU H H 69 7.579 7.579 7.881 -0.302 19869 3305 1 9 . 1 1 70 70 TYR N N 70 120.853 120.853 119.018 1.835 19869 3306 1 9 . 1 1 70 70 TYR HA H 70 4.352 4.352 4.592 -0.240 19869 3307 1 9 . 1 1 70 70 TYR CA C 70 60.530 60.530 59.576 0.954 19869 3308 1 9 . 1 1 70 70 TYR CB C 70 38.480 38.480 38.967 -0.487 19869 3309 1 9 . 1 1 70 70 TYR H H 70 8.635 8.635 7.507 1.128 19869 3310 1 9 . 1 1 71 71 LEU N N 71 119.400 119.400 121.238 -1.838 19869 3311 1 9 . 1 1 71 71 LEU HA H 71 3.554 3.554 3.946 -0.392 19869 3312 1 9 . 1 1 71 71 LEU CA C 71 58.368 58.368 58.564 -0.196 19869 3313 1 9 . 1 1 71 71 LEU CB C 71 40.564 40.564 42.038 -1.474 19869 3314 1 9 . 1 1 71 71 LEU H H 71 8.836 8.836 8.710 0.126 19869 3315 1 9 . 1 1 72 72 LYS N N 72 119.127 119.127 116.786 2.341 19869 3316 1 9 . 1 1 72 72 LYS HA H 72 4.095 4.095 4.181 -0.087 19869 3317 1 9 . 1 1 72 72 LYS CA C 72 59.780 59.780 58.359 1.421 19869 3318 1 9 . 1 1 72 72 LYS CB C 72 32.640 32.640 32.127 0.513 19869 3319 1 9 . 1 1 72 72 LYS H H 72 7.957 7.957 7.550 0.407 19869 3320 1 9 . 1 1 73 73 LEU N N 73 122.487 122.487 121.371 1.116 19869 3321 1 9 . 1 1 73 73 LEU HA H 73 4.127 4.127 4.524 -0.397 19869 3322 1 9 . 1 1 73 73 LEU CA C 73 57.340 57.340 57.014 0.326 19869 3323 1 9 . 1 1 73 73 LEU CB C 73 41.020 41.020 43.070 -2.050 19869 3324 1 9 . 1 1 73 73 LEU H H 73 8.033 8.033 7.821 0.212 19869 3325 1 9 . 1 1 74 74 LYS N N 74 120.309 120.309 119.069 1.240 19869 3326 1 9 . 1 1 74 74 LYS HA H 74 3.759 3.759 4.084 -0.325 19869 3327 1 9 . 1 1 74 74 LYS CA C 74 60.700 60.700 59.360 1.340 19869 3328 1 9 . 1 1 74 74 LYS CB C 74 32.140 32.140 31.852 0.288 19869 3329 1 9 . 1 1 74 74 LYS H H 74 8.750 8.750 8.397 0.353 19869 3330 1 9 . 1 1 75 75 GLU N N 75 118.296 118.296 119.624 -1.328 19869 3331 1 9 . 1 1 75 75 GLU HA H 75 4.098 4.098 4.141 -0.043 19869 3332 1 9 . 1 1 75 75 GLU CA C 75 59.330 59.330 58.964 0.366 19869 3333 1 9 . 1 1 75 75 GLU CB C 75 29.500 29.500 29.125 0.375 19869 3334 1 9 . 1 1 75 75 GLU H H 75 7.274 7.274 7.794 -0.520 19869 3335 1 9 . 1 1 76 76 GLU N N 76 120.788 120.788 119.743 1.045 19869 3336 1 9 . 1 1 76 76 GLU HA H 76 4.152 4.152 4.058 0.094 19869 3337 1 9 . 1 1 76 76 GLU CA C 76 59.082 59.082 59.272 -0.190 19869 3338 1 9 . 1 1 76 76 GLU CB C 76 29.235 29.235 28.989 0.246 19869 3339 1 9 . 1 1 76 76 GLU H H 76 7.756 7.756 7.696 0.060 19869 3340 1 9 . 1 1 77 77 TYR N N 77 121.399 121.399 119.765 1.634 19869 3341 1 9 . 1 1 77 77 TYR HA H 77 4.210 4.210 4.101 0.109 19869 3342 1 9 . 1 1 77 77 TYR CA C 77 61.704 61.704 61.688 0.016 19869 3343 1 9 . 1 1 77 77 TYR CB C 77 38.889 38.889 38.170 0.718 19869 3344 1 9 . 1 1 77 77 TYR H H 77 9.401 9.401 7.701 1.700 19869 3345 1 9 . 1 1 78 78 GLN N N 78 118.068 118.068 117.331 0.737 19869 3346 1 9 . 1 1 78 78 GLN HA H 78 3.784 3.784 3.673 0.111 19869 3347 1 9 . 1 1 78 78 GLN CA C 78 58.915 58.915 58.988 -0.073 19869 3348 1 9 . 1 1 78 78 GLN CB C 78 27.880 27.880 28.094 -0.214 19869 3349 1 9 . 1 1 78 78 GLN H H 78 8.169 8.169 7.993 0.176 19869 3350 1 9 . 1 1 79 79 ARG N N 79 118.446 118.446 119.171 -0.725 19869 3351 1 9 . 1 1 79 79 ARG HA H 79 4.045 4.045 4.482 -0.437 19869 3352 1 9 . 1 1 79 79 ARG CA C 79 59.310 59.310 57.275 2.035 19869 3353 1 9 . 1 1 79 79 ARG CB C 79 30.220 30.220 29.897 0.323 19869 3354 1 9 . 1 1 79 79 ARG H H 79 7.814 7.814 7.768 0.046 19869 3355 1 9 . 1 1 80 80 LEU N N 80 121.039 121.039 121.529 -0.490 19869 3356 1 9 . 1 1 80 80 LEU HA H 80 4.130 4.130 4.130 0.000 19869 3357 1 9 . 1 1 80 80 LEU CA C 80 57.689 57.689 57.346 0.343 19869 3358 1 9 . 1 1 80 80 LEU CB C 80 41.670 41.670 42.023 -0.353 19869 3359 1 9 . 1 1 80 80 LEU H H 80 7.989 7.989 8.198 -0.209 19869 3360 1 9 . 1 1 81 81 ARG N N 81 117.498 117.498 118.029 -0.531 19869 3361 1 9 . 1 1 81 81 ARG HA H 81 3.717 3.717 3.951 -0.234 19869 3362 1 9 . 1 1 81 81 ARG CA C 81 59.030 59.030 59.216 -0.186 19869 3363 1 9 . 1 1 81 81 ARG CB C 81 29.500 29.500 29.763 -0.263 19869 3364 1 9 . 1 1 81 81 ARG H H 81 8.241 8.241 8.052 0.189 19869 3365 1 9 . 1 1 82 82 GLU N N 82 117.300 117.300 116.802 0.498 19869 3366 1 9 . 1 1 82 82 GLU HA H 82 4.060 4.060 3.969 0.091 19869 3367 1 9 . 1 1 82 82 GLU CA C 82 58.205 58.205 58.736 -0.531 19869 3368 1 9 . 1 1 82 82 GLU CB C 82 29.539 29.539 29.101 0.438 19869 3369 1 9 . 1 1 82 82 GLU H H 82 7.671 7.671 7.791 -0.120 19869 3370 1 9 . 1 1 83 83 GLN N N 83 117.205 117.205 116.780 0.425 19869 3371 1 9 . 1 1 83 83 GLN HA H 83 4.192 4.192 4.264 -0.072 19869 3372 1 9 . 1 1 83 83 GLN CA C 83 56.940 56.940 56.538 0.402 19869 3373 1 9 . 1 1 83 83 GLN CB C 83 29.110 29.110 29.378 -0.268 19869 3374 1 9 . 1 1 83 83 GLN H H 83 7.745 7.745 7.470 0.275 19869 3375 1 9 . 1 1 84 84 LEU N N 84 120.465 120.465 120.764 -0.299 19869 3376 1 9 . 1 1 84 84 LEU HA H 84 4.301 4.301 4.225 0.076 19869 3377 1 9 . 1 1 84 84 LEU CA C 84 55.180 55.180 56.169 -0.988 19869 3378 1 9 . 1 1 84 84 LEU CB C 84 42.190 42.190 42.656 -0.466 19869 3379 1 9 . 1 1 84 84 LEU H H 84 7.500 7.500 7.506 -0.006 19869 3380 1 9 . 1 1 85 85 LYS N N 85 126.524 126.524 119.787 6.737 19869 3381 1 9 . 1 1 85 85 LYS HA H 85 4.063 4.063 4.356 -0.293 19869 3382 1 9 . 1 1 85 85 LYS CA C 85 57.499 57.499 55.605 1.894 19869 3383 1 9 . 1 1 85 85 LYS CB C 85 33.640 33.640 33.283 0.357 19869 3384 1 9 . 1 1 85 85 LYS H H 85 7.525 7.525 7.498 0.027 19869 3385 1 10 . 1 1 8 8 PRO HA H 8 4.396 4.396 4.591 -0.195 19869 3386 1 10 . 1 1 8 8 PRO CA C 8 63.046 63.046 61.932 1.114 19869 3387 1 10 . 1 1 8 8 PRO CB C 8 32.151 32.151 32.582 -0.431 19869 3388 1 10 . 1 1 9 9 LYS N N 9 121.282 121.282 119.457 1.825 19869 3389 1 10 . 1 1 9 9 LYS HA H 9 4.373 4.373 4.102 0.271 19869 3390 1 10 . 1 1 9 9 LYS CA C 9 56.140 56.140 56.858 -0.718 19869 3391 1 10 . 1 1 9 9 LYS CB C 9 33.680 33.680 31.353 2.327 19869 3392 1 10 . 1 1 9 9 LYS H H 9 8.363 8.363 8.271 0.092 19869 3393 1 10 . 1 1 10 10 THR N N 10 117.787 117.787 117.622 0.165 19869 3394 1 10 . 1 1 10 10 THR HA H 10 4.357 4.357 4.368 -0.011 19869 3395 1 10 . 1 1 10 10 THR CA C 10 61.620 61.620 61.017 0.603 19869 3396 1 10 . 1 1 10 10 THR CB C 10 70.393 70.393 71.126 -0.733 19869 3397 1 10 . 1 1 10 10 THR H H 10 8.675 8.675 8.344 0.331 19869 3398 1 10 . 1 1 11 11 ARG N N 11 123.980 123.980 124.506 -0.526 19869 3399 1 10 . 1 1 11 11 ARG HA H 11 5.043 5.043 5.190 -0.147 19869 3400 1 10 . 1 1 11 11 ARG CA C 11 55.142 55.142 54.983 0.159 19869 3401 1 10 . 1 1 11 11 ARG CB C 11 32.130 32.130 32.236 -0.106 19869 3402 1 10 . 1 1 11 11 ARG H H 11 8.322 8.322 8.322 0.000 19869 3403 1 10 . 1 1 12 12 VAL N N 12 124.311 124.311 120.593 3.718 19869 3404 1 10 . 1 1 12 12 VAL HA H 12 4.410 4.410 4.457 -0.047 19869 3405 1 10 . 1 1 12 12 VAL CA C 12 60.866 60.866 60.538 0.328 19869 3406 1 10 . 1 1 12 12 VAL CB C 12 35.447 35.447 36.234 -0.787 19869 3407 1 10 . 1 1 12 12 VAL H H 12 8.853 8.853 9.098 -0.245 19869 3408 1 10 . 1 1 13 13 SER N N 13 122.286 122.286 121.963 0.323 19869 3409 1 10 . 1 1 13 13 SER HA H 13 5.435 5.435 5.079 0.356 19869 3410 1 10 . 1 1 13 13 SER CA C 13 57.199 57.199 57.389 -0.190 19869 3411 1 10 . 1 1 13 13 SER CB C 13 63.535 63.535 63.168 0.367 19869 3412 1 10 . 1 1 13 13 SER H H 13 8.581 8.581 8.494 0.087 19869 3413 1 10 . 1 1 14 14 VAL N N 14 119.340 119.340 124.159 -4.819 19869 3414 1 10 . 1 1 14 14 VAL HA H 14 4.491 4.491 4.566 -0.075 19869 3415 1 10 . 1 1 14 14 VAL CA C 14 56.271 56.271 59.707 -3.436 19869 3416 1 10 . 1 1 14 14 VAL CB C 14 35.709 35.709 35.025 0.684 19869 3417 1 10 . 1 1 14 14 VAL H H 14 9.154 9.154 9.033 0.121 19869 3418 1 10 . 1 1 15 15 ARG N N 15 123.689 123.689 125.533 -1.844 19869 3419 1 10 . 1 1 15 15 ARG HA H 15 5.333 5.333 4.798 0.535 19869 3420 1 10 . 1 1 15 15 ARG CA C 15 54.830 54.830 55.638 -0.807 19869 3421 1 10 . 1 1 15 15 ARG CB C 15 31.780 31.780 31.112 0.668 19869 3422 1 10 . 1 1 15 15 ARG H H 15 8.467 8.467 8.570 -0.103 19869 3423 1 10 . 1 1 16 16 ILE N N 16 125.117 125.117 125.606 -0.489 19869 3424 1 10 . 1 1 16 16 ILE HA H 16 4.189 4.189 4.607 -0.418 19869 3425 1 10 . 1 1 16 16 ILE CA C 16 61.240 61.240 60.592 0.648 19869 3426 1 10 . 1 1 16 16 ILE CB C 16 41.680 41.680 40.015 1.665 19869 3427 1 10 . 1 1 16 16 ILE H H 16 9.174 9.174 9.089 0.085 19869 3428 1 10 . 1 1 17 17 TYR N N 17 137.064 137.064 129.126 7.938 19869 3429 1 10 . 1 1 17 17 TYR HA H 17 3.836 3.836 4.082 -0.246 19869 3430 1 10 . 1 1 17 17 TYR CA C 17 59.876 59.876 59.628 0.248 19869 3431 1 10 . 1 1 17 17 TYR CB C 17 39.379 39.379 37.096 2.283 19869 3432 1 10 . 1 1 17 17 TYR H H 17 10.623 10.623 10.155 0.468 19869 3433 1 10 . 1 1 18 18 GLY N N 18 102.991 102.991 105.041 -2.050 19869 3434 1 10 . 1 1 18 18 GLY CA C 18 45.674 45.674 44.962 0.712 19869 3435 1 10 . 1 1 18 18 GLY H H 18 8.604 8.604 8.667 -0.063 19869 3436 1 10 . 1 1 19 19 GLN N N 19 119.104 119.104 121.599 -2.495 19869 3437 1 10 . 1 1 19 19 GLN HA H 19 4.566 4.566 4.502 0.064 19869 3438 1 10 . 1 1 19 19 GLN CA C 19 53.719 53.719 54.397 -0.678 19869 3439 1 10 . 1 1 19 19 GLN CB C 19 32.230 32.230 30.246 1.984 19869 3440 1 10 . 1 1 19 19 GLN H H 19 7.724 7.724 7.745 -0.021 19869 3441 1 10 . 1 1 20 20 ASP N N 20 121.913 121.913 121.266 0.647 19869 3442 1 10 . 1 1 20 20 ASP HA H 20 5.340 5.340 5.337 0.003 19869 3443 1 10 . 1 1 20 20 ASP CA C 20 54.370 54.370 52.533 1.837 19869 3444 1 10 . 1 1 20 20 ASP CB C 20 42.600 42.600 42.767 -0.167 19869 3445 1 10 . 1 1 20 20 ASP H H 20 8.217 8.217 8.211 0.006 19869 3446 1 10 . 1 1 21 21 TYR N N 21 120.801 120.801 119.704 1.097 19869 3447 1 10 . 1 1 21 21 TYR HA H 21 4.538 4.538 4.745 -0.207 19869 3448 1 10 . 1 1 21 21 TYR CA C 21 57.640 57.640 55.838 1.802 19869 3449 1 10 . 1 1 21 21 TYR CB C 21 42.201 42.201 42.906 -0.705 19869 3450 1 10 . 1 1 21 21 TYR H H 21 9.330 9.330 8.946 0.384 19869 3451 1 10 . 1 1 22 22 THR N N 22 118.813 118.813 116.982 1.831 19869 3452 1 10 . 1 1 22 22 THR HA H 22 4.390 4.390 5.146 -0.756 19869 3453 1 10 . 1 1 22 22 THR CA C 22 63.230 63.230 61.647 1.583 19869 3454 1 10 . 1 1 22 22 THR CB C 22 69.380 69.380 68.437 0.943 19869 3455 1 10 . 1 1 22 22 THR H H 22 8.888 8.888 8.599 0.289 19869 3456 1 10 . 1 1 23 23 ILE N N 23 129.291 129.291 121.802 7.489 19869 3457 1 10 . 1 1 23 23 ILE HA H 23 4.268 4.268 4.808 -0.540 19869 3458 1 10 . 1 1 23 23 ILE CA C 23 59.121 59.121 58.855 0.266 19869 3459 1 10 . 1 1 23 23 ILE CB C 23 37.060 37.060 40.706 -3.647 19869 3460 1 10 . 1 1 23 23 ILE H H 23 9.212 9.212 8.939 0.273 19869 3461 1 10 . 1 1 24 24 VAL N N 24 127.112 127.112 119.928 7.184 19869 3462 1 10 . 1 1 24 24 VAL HA H 24 5.073 5.073 4.325 0.748 19869 3463 1 10 . 1 1 24 24 VAL CA C 24 60.246 60.246 62.594 -2.349 19869 3464 1 10 . 1 1 24 24 VAL CB C 24 33.415 33.415 31.848 1.567 19869 3465 1 10 . 1 1 24 24 VAL H H 24 8.345 8.345 8.340 0.005 19869 3466 1 10 . 1 1 25 25 GLY N N 25 113.745 113.745 116.352 -2.607 19869 3467 1 10 . 1 1 25 25 GLY CA C 25 45.920 45.920 45.061 0.859 19869 3468 1 10 . 1 1 25 25 GLY H H 25 8.540 8.540 8.753 -0.213 19869 3469 1 10 . 1 1 26 26 ALA N N 26 123.321 123.321 126.083 -2.762 19869 3470 1 10 . 1 1 26 26 ALA HA H 26 4.644 4.644 4.581 0.063 19869 3471 1 10 . 1 1 26 26 ALA CA C 26 51.639 51.639 52.046 -0.407 19869 3472 1 10 . 1 1 26 26 ALA CB C 26 19.725 19.725 19.081 0.644 19869 3473 1 10 . 1 1 26 26 ALA H H 26 8.593 8.593 8.319 0.274 19869 3474 1 10 . 1 1 27 27 GLU N N 27 118.135 118.135 120.024 -1.889 19869 3475 1 10 . 1 1 27 27 GLU HA H 27 4.302 4.302 4.320 -0.018 19869 3476 1 10 . 1 1 27 27 GLU CA C 27 55.670 55.670 57.484 -1.814 19869 3477 1 10 . 1 1 27 27 GLU CB C 27 30.724 30.724 30.232 0.492 19869 3478 1 10 . 1 1 27 27 GLU H H 27 8.120 8.120 8.586 -0.466 19869 3479 1 10 . 1 1 28 28 SER N N 28 115.651 115.651 112.601 3.050 19869 3480 1 10 . 1 1 28 28 SER HA H 28 4.700 4.700 4.817 -0.117 19869 3481 1 10 . 1 1 28 28 SER CA C 28 56.044 56.044 56.413 -0.369 19869 3482 1 10 . 1 1 28 28 SER H H 28 8.723 8.723 7.753 0.970 19869 3483 1 10 . 1 1 29 29 PRO HA H 29 4.111 4.111 4.159 -0.048 19869 3484 1 10 . 1 1 29 29 PRO CA C 29 65.792 65.792 66.088 -0.296 19869 3485 1 10 . 1 1 29 29 PRO CB C 29 31.750 31.750 31.882 -0.132 19869 3486 1 10 . 1 1 30 30 ALA N N 30 117.252 117.252 118.910 -1.658 19869 3487 1 10 . 1 1 30 30 ALA HA H 30 4.028 4.028 4.304 -0.276 19869 3488 1 10 . 1 1 30 30 ALA CA C 30 55.258 55.258 54.303 0.955 19869 3489 1 10 . 1 1 30 30 ALA CB C 30 18.240 18.240 18.397 -0.157 19869 3490 1 10 . 1 1 30 30 ALA H H 30 7.994 7.994 8.108 -0.114 19869 3491 1 10 . 1 1 31 31 HIS N N 31 119.161 119.161 119.562 -0.401 19869 3492 1 10 . 1 1 31 31 HIS HA H 31 4.278 4.278 4.315 -0.037 19869 3493 1 10 . 1 1 31 31 HIS CA C 31 59.697 59.697 59.194 0.503 19869 3494 1 10 . 1 1 31 31 HIS CB C 31 30.320 30.320 29.825 0.495 19869 3495 1 10 . 1 1 31 31 HIS H H 31 7.902 7.902 8.075 -0.173 19869 3496 1 10 . 1 1 32 32 ILE N N 32 118.000 118.000 114.934 3.066 19869 3497 1 10 . 1 1 32 32 ILE HA H 32 3.478 3.478 3.923 -0.445 19869 3498 1 10 . 1 1 32 32 ILE CA C 32 63.480 63.480 63.249 0.231 19869 3499 1 10 . 1 1 32 32 ILE CB C 32 36.290 36.290 37.281 -0.991 19869 3500 1 10 . 1 1 32 32 ILE H H 32 8.092 8.092 8.095 -0.003 19869 3501 1 10 . 1 1 33 33 ARG N N 33 118.612 118.612 120.144 -1.532 19869 3502 1 10 . 1 1 33 33 ARG HA H 33 3.911 3.911 4.227 -0.316 19869 3503 1 10 . 1 1 33 33 ARG CA C 33 60.741 60.741 58.824 1.917 19869 3504 1 10 . 1 1 33 33 ARG CB C 33 29.839 29.839 30.519 -0.680 19869 3505 1 10 . 1 1 33 33 ARG H H 33 8.436 8.436 7.653 0.783 19869 3506 1 10 . 1 1 34 34 LEU N N 34 122.935 122.935 118.201 4.734 19869 3507 1 10 . 1 1 34 34 LEU HA H 34 4.154 4.154 4.249 -0.095 19869 3508 1 10 . 1 1 34 34 LEU CA C 34 57.400 57.400 57.737 -0.337 19869 3509 1 10 . 1 1 34 34 LEU CB C 34 41.998 41.998 40.972 1.026 19869 3510 1 10 . 1 1 34 34 LEU H H 34 7.565 7.565 7.448 0.117 19869 3511 1 10 . 1 1 35 35 VAL N N 35 121.579 121.579 120.772 0.807 19869 3512 1 10 . 1 1 35 35 VAL HA H 35 3.333 3.333 3.517 -0.184 19869 3513 1 10 . 1 1 35 35 VAL CA C 35 66.440 66.440 66.254 0.186 19869 3514 1 10 . 1 1 35 35 VAL CB C 35 31.149 31.149 30.471 0.678 19869 3515 1 10 . 1 1 35 35 VAL H H 35 8.414 8.414 7.477 0.937 19869 3516 1 10 . 1 1 36 36 ALA N N 36 121.368 121.368 121.529 -0.161 19869 3517 1 10 . 1 1 36 36 ALA HA H 36 3.794 3.794 4.104 -0.310 19869 3518 1 10 . 1 1 36 36 ALA CA C 36 55.555 55.555 55.047 0.508 19869 3519 1 10 . 1 1 36 36 ALA CB C 36 18.310 18.310 18.075 0.235 19869 3520 1 10 . 1 1 36 36 ALA H H 36 8.791 8.791 7.734 1.057 19869 3521 1 10 . 1 1 37 37 ALA N N 37 119.373 119.373 121.889 -2.516 19869 3522 1 10 . 1 1 37 37 ALA HA H 37 4.305 4.305 4.017 0.288 19869 3523 1 10 . 1 1 37 37 ALA CA C 37 54.825 54.825 54.981 -0.156 19869 3524 1 10 . 1 1 37 37 ALA CB C 37 18.020 18.020 18.479 -0.459 19869 3525 1 10 . 1 1 37 37 ALA H H 37 7.648 7.648 7.555 0.093 19869 3526 1 10 . 1 1 38 38 PHE N N 38 120.906 120.906 119.481 1.425 19869 3527 1 10 . 1 1 38 38 PHE HA H 38 4.449 4.449 4.202 0.247 19869 3528 1 10 . 1 1 38 38 PHE CA C 38 61.148 61.148 61.117 0.031 19869 3529 1 10 . 1 1 38 38 PHE CB C 38 39.350 39.350 39.498 -0.148 19869 3530 1 10 . 1 1 38 38 PHE H H 38 7.923 7.923 8.107 -0.184 19869 3531 1 10 . 1 1 39 39 VAL N N 39 119.731 119.731 119.108 0.623 19869 3532 1 10 . 1 1 39 39 VAL HA H 39 3.219 3.219 3.287 -0.068 19869 3533 1 10 . 1 1 39 39 VAL CA C 39 67.520 67.520 66.177 1.343 19869 3534 1 10 . 1 1 39 39 VAL CB C 39 32.059 32.059 30.689 1.370 19869 3535 1 10 . 1 1 39 39 VAL H H 39 8.482 8.482 7.596 0.886 19869 3536 1 10 . 1 1 40 40 ASP N N 40 120.200 120.200 120.575 -0.375 19869 3537 1 10 . 1 1 40 40 ASP HA H 40 4.449 4.449 4.396 0.053 19869 3538 1 10 . 1 1 40 40 ASP CA C 40 58.600 58.600 58.260 0.340 19869 3539 1 10 . 1 1 40 40 ASP CB C 40 43.300 43.300 40.750 2.550 19869 3540 1 10 . 1 1 40 40 ASP H H 40 8.851 8.851 8.379 0.472 19869 3541 1 10 . 1 1 41 41 ASP N N 41 120.967 120.967 119.873 1.094 19869 3542 1 10 . 1 1 41 41 ASP HA H 41 4.532 4.532 4.343 0.189 19869 3543 1 10 . 1 1 41 41 ASP CA C 41 57.860 57.860 57.241 0.619 19869 3544 1 10 . 1 1 41 41 ASP CB C 41 40.560 40.560 41.046 -0.486 19869 3545 1 10 . 1 1 41 41 ASP H H 41 8.743 8.743 7.740 1.003 19869 3546 1 10 . 1 1 42 42 LYS N N 42 120.600 120.600 119.923 0.677 19869 3547 1 10 . 1 1 42 42 LYS HA H 42 3.967 3.967 3.955 0.012 19869 3548 1 10 . 1 1 42 42 LYS CA C 42 57.880 57.880 58.936 -1.056 19869 3549 1 10 . 1 1 42 42 LYS CB C 42 31.440 31.440 31.964 -0.524 19869 3550 1 10 . 1 1 42 42 LYS H H 42 7.990 7.990 7.320 0.670 19869 3551 1 10 . 1 1 43 43 MET N N 43 119.600 119.600 117.729 1.871 19869 3552 1 10 . 1 1 43 43 MET HA H 43 3.957 3.957 4.040 -0.083 19869 3553 1 10 . 1 1 43 43 MET CA C 43 55.600 55.600 59.279 -3.679 19869 3554 1 10 . 1 1 43 43 MET CB C 43 33.950 33.950 32.549 1.401 19869 3555 1 10 . 1 1 43 43 MET H H 43 8.844 8.844 8.341 0.503 19869 3556 1 10 . 1 1 44 44 HIS N N 44 115.981 115.981 119.992 -4.011 19869 3557 1 10 . 1 1 44 44 HIS HA H 44 4.408 4.408 4.418 -0.010 19869 3558 1 10 . 1 1 44 44 HIS CA C 44 61.250 61.250 60.312 0.938 19869 3559 1 10 . 1 1 44 44 HIS CB C 44 28.045 28.045 30.496 -2.451 19869 3560 1 10 . 1 1 44 44 HIS H H 44 8.296 8.296 7.946 0.350 19869 3561 1 10 . 1 1 45 45 GLU N N 45 122.501 122.501 118.475 4.026 19869 3562 1 10 . 1 1 45 45 GLU HA H 45 4.034 4.034 4.266 -0.232 19869 3563 1 10 . 1 1 45 45 GLU CA C 45 59.580 59.580 58.948 0.632 19869 3564 1 10 . 1 1 45 45 GLU CB C 45 29.533 29.533 29.418 0.115 19869 3565 1 10 . 1 1 45 45 GLU H H 45 8.399 8.399 7.976 0.423 19869 3566 1 10 . 1 1 46 46 PHE N N 46 118.451 118.451 120.577 -2.126 19869 3567 1 10 . 1 1 46 46 PHE HA H 46 4.183 4.183 4.562 -0.379 19869 3568 1 10 . 1 1 46 46 PHE CA C 46 61.689 61.689 58.135 3.554 19869 3569 1 10 . 1 1 46 46 PHE CB C 46 38.979 38.979 38.245 0.734 19869 3570 1 10 . 1 1 46 46 PHE H H 46 8.320 8.320 8.295 0.025 19869 3571 1 10 . 1 1 47 47 SER N N 47 114.878 114.878 115.463 -0.585 19869 3572 1 10 . 1 1 47 47 SER HA H 47 4.111 4.111 4.219 -0.108 19869 3573 1 10 . 1 1 47 47 SER CA C 47 60.281 60.281 61.609 -1.329 19869 3574 1 10 . 1 1 47 47 SER CB C 47 63.321 63.321 62.535 0.786 19869 3575 1 10 . 1 1 47 47 SER H H 47 8.278 8.278 8.111 0.167 19869 3576 1 10 . 1 1 48 48 GLU N N 48 118.579 118.579 119.731 -1.152 19869 3577 1 10 . 1 1 48 48 GLU HA H 48 4.059 4.059 4.196 -0.137 19869 3578 1 10 . 1 1 48 48 GLU CA C 48 58.641 58.641 58.274 0.367 19869 3579 1 10 . 1 1 48 48 GLU CB C 48 29.720 29.720 29.781 -0.061 19869 3580 1 10 . 1 1 48 48 GLU H H 48 7.651 7.651 7.810 -0.159 19869 3581 1 10 . 1 1 49 49 LYS N N 49 116.048 116.048 117.297 -1.249 19869 3582 1 10 . 1 1 49 49 LYS HA H 49 4.211 4.211 4.171 0.040 19869 3583 1 10 . 1 1 49 49 LYS CA C 49 57.580 57.580 56.557 1.023 19869 3584 1 10 . 1 1 49 49 LYS CB C 49 33.450 33.450 32.639 0.811 19869 3585 1 10 . 1 1 49 49 LYS H H 49 7.281 7.281 7.505 -0.224 19869 3586 1 10 . 1 1 50 50 GLN N N 50 117.953 117.953 115.561 2.392 19869 3587 1 10 . 1 1 50 50 GLN HA H 50 4.249 4.249 4.125 0.124 19869 3588 1 10 . 1 1 50 50 GLN CA C 50 55.610 55.610 55.486 0.124 19869 3589 1 10 . 1 1 50 50 GLN CB C 50 30.050 30.050 27.058 2.992 19869 3590 1 10 . 1 1 50 50 GLN H H 50 7.930 7.930 7.976 -0.046 19869 3591 1 10 . 1 1 51 51 PRO HA H 51 4.597 4.597 4.218 0.379 19869 3592 1 10 . 1 1 51 51 PRO CA C 51 63.600 63.600 65.005 -1.405 19869 3593 1 10 . 1 1 51 51 PRO CB C 51 32.522 32.522 31.973 0.549 19869 3594 1 10 . 1 1 52 52 MET N N 52 115.230 115.230 113.410 1.820 19869 3595 1 10 . 1 1 52 52 MET HA H 52 4.513 4.513 4.672 -0.159 19869 3596 1 10 . 1 1 52 52 MET CA C 52 55.505 55.505 54.156 1.349 19869 3597 1 10 . 1 1 52 52 MET CB C 52 30.920 30.920 33.725 -2.805 19869 3598 1 10 . 1 1 52 52 MET H H 52 8.558 8.558 8.073 0.485 19869 3599 1 10 . 1 1 53 53 LEU N N 53 120.540 120.540 118.365 2.175 19869 3600 1 10 . 1 1 53 53 LEU HA H 53 4.252 4.252 3.990 0.262 19869 3601 1 10 . 1 1 53 53 LEU CA C 53 55.690 55.690 55.062 0.628 19869 3602 1 10 . 1 1 53 53 LEU CB C 53 42.728 42.728 41.143 1.585 19869 3603 1 10 . 1 1 53 53 LEU H H 53 7.557 7.557 7.999 -0.442 19869 3604 1 10 . 1 1 54 54 ASP N N 54 121.294 121.294 117.612 3.682 19869 3605 1 10 . 1 1 54 54 ASP HA H 54 4.640 4.640 4.811 -0.171 19869 3606 1 10 . 1 1 54 54 ASP CA C 54 52.280 52.280 52.685 -0.406 19869 3607 1 10 . 1 1 54 54 ASP CB C 54 41.330 41.330 42.929 -1.599 19869 3608 1 10 . 1 1 54 54 ASP H H 54 7.941 7.941 7.670 0.271 19869 3609 1 10 . 1 1 55 55 VAL N N 55 118.701 118.701 124.054 -5.353 19869 3610 1 10 . 1 1 55 55 VAL HA H 55 4.277 4.277 3.808 0.469 19869 3611 1 10 . 1 1 55 55 VAL CA C 55 62.510 62.510 67.065 -4.555 19869 3612 1 10 . 1 1 55 55 VAL CB C 55 29.900 29.900 29.576 0.324 19869 3613 1 10 . 1 1 55 55 VAL H H 55 8.444 8.444 8.679 -0.235 19869 3614 1 10 . 1 1 56 56 PRO HA H 56 3.981 3.981 4.080 -0.099 19869 3615 1 10 . 1 1 56 56 PRO CA C 56 66.840 66.840 66.037 0.803 19869 3616 1 10 . 1 1 56 56 PRO CB C 56 30.875 30.875 31.105 -0.230 19869 3617 1 10 . 1 1 57 57 LYS N N 57 114.335 114.335 117.019 -2.684 19869 3618 1 10 . 1 1 57 57 LYS HA H 57 4.213 4.213 4.107 0.106 19869 3619 1 10 . 1 1 57 57 LYS CA C 57 60.027 60.027 58.904 1.123 19869 3620 1 10 . 1 1 57 57 LYS CB C 57 33.700 33.700 32.045 1.655 19869 3621 1 10 . 1 1 57 57 LYS H H 57 7.224 7.224 8.501 -1.277 19869 3622 1 10 . 1 1 58 58 LEU N N 58 119.010 119.010 120.700 -1.690 19869 3623 1 10 . 1 1 58 58 LEU HA H 58 3.714 3.714 4.182 -0.468 19869 3624 1 10 . 1 1 58 58 LEU CA C 58 57.900 57.900 57.408 0.492 19869 3625 1 10 . 1 1 58 58 LEU CB C 58 42.966 42.966 41.057 1.909 19869 3626 1 10 . 1 1 58 58 LEU H H 58 8.369 8.369 7.684 0.685 19869 3627 1 10 . 1 1 59 59 ALA N N 59 122.559 122.559 122.824 -0.265 19869 3628 1 10 . 1 1 59 59 ALA HA H 59 3.720 3.720 3.956 -0.236 19869 3629 1 10 . 1 1 59 59 ALA CA C 59 55.510 55.510 55.071 0.439 19869 3630 1 10 . 1 1 59 59 ALA CB C 59 19.020 19.020 18.182 0.838 19869 3631 1 10 . 1 1 59 59 ALA H H 59 8.686 8.686 8.029 0.657 19869 3632 1 10 . 1 1 60 60 VAL N N 60 118.664 118.664 118.543 0.121 19869 3633 1 10 . 1 1 60 60 VAL HA H 60 3.251 3.251 3.750 -0.499 19869 3634 1 10 . 1 1 60 60 VAL CA C 60 67.397 67.397 65.352 2.045 19869 3635 1 10 . 1 1 60 60 VAL CB C 60 31.340 31.340 31.913 -0.573 19869 3636 1 10 . 1 1 60 60 VAL H H 60 7.777 7.777 7.889 -0.112 19869 3637 1 10 . 1 1 61 61 LEU N N 61 118.415 118.415 120.742 -2.327 19869 3638 1 10 . 1 1 61 61 LEU HA H 61 3.553 3.553 4.077 -0.524 19869 3639 1 10 . 1 1 61 61 LEU CA C 61 58.150 58.150 58.217 -0.067 19869 3640 1 10 . 1 1 61 61 LEU CB C 61 40.340 40.340 41.659 -1.319 19869 3641 1 10 . 1 1 61 61 LEU H H 61 8.328 8.328 7.454 0.874 19869 3642 1 10 . 1 1 62 62 THR N N 62 117.416 117.416 115.900 1.516 19869 3643 1 10 . 1 1 62 62 THR HA H 62 4.130 4.130 4.235 -0.105 19869 3644 1 10 . 1 1 62 62 THR CA C 62 67.220 67.220 67.076 0.144 19869 3645 1 10 . 1 1 62 62 THR CB C 62 68.364 68.364 68.188 0.176 19869 3646 1 10 . 1 1 62 62 THR H H 62 7.787 7.787 7.724 0.063 19869 3647 1 10 . 1 1 63 63 ALA N N 63 124.319 124.319 124.614 -0.295 19869 3648 1 10 . 1 1 63 63 ALA HA H 63 3.746 3.746 4.140 -0.394 19869 3649 1 10 . 1 1 63 63 ALA CA C 63 56.243 56.243 55.183 1.060 19869 3650 1 10 . 1 1 63 63 ALA CB C 63 17.121 17.121 18.147 -1.026 19869 3651 1 10 . 1 1 63 63 ALA H H 63 8.175 8.175 7.650 0.525 19869 3652 1 10 . 1 1 64 64 VAL N N 64 116.756 116.756 119.158 -2.402 19869 3653 1 10 . 1 1 64 64 VAL HA H 64 3.324 3.324 3.764 -0.440 19869 3654 1 10 . 1 1 64 64 VAL CA C 64 66.543 66.543 65.687 0.856 19869 3655 1 10 . 1 1 64 64 VAL CB C 64 31.340 31.340 31.748 -0.408 19869 3656 1 10 . 1 1 64 64 VAL H H 64 8.422 8.422 7.985 0.437 19869 3657 1 10 . 1 1 65 65 GLN N N 65 120.091 120.091 120.410 -0.319 19869 3658 1 10 . 1 1 65 65 GLN HA H 65 4.015 4.015 4.182 -0.167 19869 3659 1 10 . 1 1 65 65 GLN CA C 65 59.290 59.290 58.880 0.409 19869 3660 1 10 . 1 1 65 65 GLN CB C 65 28.450 28.450 28.822 -0.371 19869 3661 1 10 . 1 1 65 65 GLN H H 65 7.924 7.924 7.676 0.248 19869 3662 1 10 . 1 1 66 66 ILE N N 66 118.358 118.358 120.627 -2.269 19869 3663 1 10 . 1 1 66 66 ILE HA H 66 3.526 3.526 3.816 -0.290 19869 3664 1 10 . 1 1 66 66 ILE CA C 66 65.305 65.305 64.989 0.316 19869 3665 1 10 . 1 1 66 66 ILE H H 66 8.441 8.441 8.440 0.001 19869 3666 1 10 . 1 1 67 67 ALA N N 67 121.518 121.518 122.116 -0.598 19869 3667 1 10 . 1 1 67 67 ALA HA H 67 4.025 4.025 4.052 -0.027 19869 3668 1 10 . 1 1 67 67 ALA CA C 67 55.501 55.501 55.745 -0.243 19869 3669 1 10 . 1 1 67 67 ALA CB C 67 19.668 19.668 18.244 1.424 19869 3670 1 10 . 1 1 67 67 ALA H H 67 8.947 8.947 7.894 1.053 19869 3671 1 10 . 1 1 68 68 SER N N 68 112.523 112.523 114.081 -1.558 19869 3672 1 10 . 1 1 68 68 SER HA H 68 4.174 4.174 4.148 0.026 19869 3673 1 10 . 1 1 68 68 SER CA C 68 61.429 61.429 61.703 -0.274 19869 3674 1 10 . 1 1 68 68 SER CB C 68 63.011 63.011 62.384 0.627 19869 3675 1 10 . 1 1 68 68 SER H H 68 8.492 8.492 8.068 0.424 19869 3676 1 10 . 1 1 69 69 GLU N N 69 117.397 117.397 122.005 -4.608 19869 3677 1 10 . 1 1 69 69 GLU HA H 69 3.998 3.998 4.014 -0.016 19869 3678 1 10 . 1 1 69 69 GLU CA C 69 59.181 59.181 59.063 0.118 19869 3679 1 10 . 1 1 69 69 GLU CB C 69 28.760 28.760 29.449 -0.689 19869 3680 1 10 . 1 1 69 69 GLU H H 69 7.579 7.579 8.012 -0.433 19869 3681 1 10 . 1 1 70 70 TYR N N 70 120.853 120.853 116.839 4.014 19869 3682 1 10 . 1 1 70 70 TYR HA H 70 4.352 4.352 4.501 -0.149 19869 3683 1 10 . 1 1 70 70 TYR CA C 70 60.530 60.530 60.249 0.281 19869 3684 1 10 . 1 1 70 70 TYR CB C 70 38.480 38.480 39.118 -0.638 19869 3685 1 10 . 1 1 70 70 TYR H H 70 8.635 8.635 7.763 0.872 19869 3686 1 10 . 1 1 71 71 LEU N N 71 119.400 119.400 121.524 -2.124 19869 3687 1 10 . 1 1 71 71 LEU HA H 71 3.554 3.554 3.950 -0.396 19869 3688 1 10 . 1 1 71 71 LEU CA C 71 58.368 58.368 58.430 -0.062 19869 3689 1 10 . 1 1 71 71 LEU CB C 71 40.564 40.564 42.025 -1.461 19869 3690 1 10 . 1 1 71 71 LEU H H 71 8.836 8.836 8.686 0.150 19869 3691 1 10 . 1 1 72 72 LYS N N 72 119.127 119.127 117.220 1.907 19869 3692 1 10 . 1 1 72 72 LYS HA H 72 4.095 4.095 4.137 -0.042 19869 3693 1 10 . 1 1 72 72 LYS CA C 72 59.780 59.780 58.733 1.048 19869 3694 1 10 . 1 1 72 72 LYS CB C 72 32.640 32.640 32.157 0.483 19869 3695 1 10 . 1 1 72 72 LYS H H 72 7.957 7.957 7.843 0.114 19869 3696 1 10 . 1 1 73 73 LEU N N 73 122.487 122.487 121.226 1.261 19869 3697 1 10 . 1 1 73 73 LEU HA H 73 4.127 4.127 4.391 -0.264 19869 3698 1 10 . 1 1 73 73 LEU CA C 73 57.340 57.340 56.781 0.559 19869 3699 1 10 . 1 1 73 73 LEU CB C 73 41.020 41.020 43.182 -2.162 19869 3700 1 10 . 1 1 73 73 LEU H H 73 8.033 8.033 7.522 0.511 19869 3701 1 10 . 1 1 74 74 LYS N N 74 120.309 120.309 119.047 1.262 19869 3702 1 10 . 1 1 74 74 LYS HA H 74 3.759 3.759 4.083 -0.324 19869 3703 1 10 . 1 1 74 74 LYS CA C 74 60.700 60.700 59.263 1.437 19869 3704 1 10 . 1 1 74 74 LYS CB C 74 32.140 32.140 31.948 0.192 19869 3705 1 10 . 1 1 74 74 LYS H H 74 8.750 8.750 8.435 0.315 19869 3706 1 10 . 1 1 75 75 GLU N N 75 118.296 118.296 120.236 -1.940 19869 3707 1 10 . 1 1 75 75 GLU HA H 75 4.098 4.098 4.336 -0.238 19869 3708 1 10 . 1 1 75 75 GLU CA C 75 59.330 59.330 59.252 0.078 19869 3709 1 10 . 1 1 75 75 GLU CB C 75 29.500 29.500 29.392 0.108 19869 3710 1 10 . 1 1 75 75 GLU H H 75 7.274 7.274 7.940 -0.666 19869 3711 1 10 . 1 1 76 76 GLU N N 76 120.788 120.788 118.711 2.077 19869 3712 1 10 . 1 1 76 76 GLU HA H 76 4.152 4.152 4.084 0.068 19869 3713 1 10 . 1 1 76 76 GLU CA C 76 59.082 59.082 59.299 -0.217 19869 3714 1 10 . 1 1 76 76 GLU CB C 76 29.235 29.235 28.968 0.267 19869 3715 1 10 . 1 1 76 76 GLU H H 76 7.756 7.756 8.089 -0.333 19869 3716 1 10 . 1 1 77 77 TYR N N 77 121.399 121.399 119.187 2.212 19869 3717 1 10 . 1 1 77 77 TYR HA H 77 4.210 4.210 4.214 -0.004 19869 3718 1 10 . 1 1 77 77 TYR CA C 77 61.704 61.704 61.242 0.462 19869 3719 1 10 . 1 1 77 77 TYR CB C 77 38.889 38.889 38.227 0.661 19869 3720 1 10 . 1 1 77 77 TYR H H 77 9.401 9.401 7.464 1.937 19869 3721 1 10 . 1 1 78 78 GLN N N 78 118.068 118.068 117.489 0.579 19869 3722 1 10 . 1 1 78 78 GLN HA H 78 3.784 3.784 3.847 -0.063 19869 3723 1 10 . 1 1 78 78 GLN CA C 78 58.915 58.915 59.026 -0.111 19869 3724 1 10 . 1 1 78 78 GLN CB C 78 27.880 27.880 28.433 -0.553 19869 3725 1 10 . 1 1 78 78 GLN H H 78 8.169 8.169 7.715 0.454 19869 3726 1 10 . 1 1 79 79 ARG N N 79 118.446 118.446 119.699 -1.253 19869 3727 1 10 . 1 1 79 79 ARG HA H 79 4.045 4.045 4.392 -0.347 19869 3728 1 10 . 1 1 79 79 ARG CA C 79 59.310 59.310 58.842 0.468 19869 3729 1 10 . 1 1 79 79 ARG CB C 79 30.220 30.220 30.297 -0.077 19869 3730 1 10 . 1 1 79 79 ARG H H 79 7.814 7.814 7.723 0.091 19869 3731 1 10 . 1 1 80 80 LEU N N 80 121.039 121.039 121.231 -0.192 19869 3732 1 10 . 1 1 80 80 LEU HA H 80 4.130 4.130 4.077 0.053 19869 3733 1 10 . 1 1 80 80 LEU CA C 80 57.689 57.689 57.746 -0.057 19869 3734 1 10 . 1 1 80 80 LEU CB C 80 41.670 41.670 42.017 -0.348 19869 3735 1 10 . 1 1 80 80 LEU H H 80 7.989 7.989 8.359 -0.370 19869 3736 1 10 . 1 1 81 81 ARG N N 81 117.498 117.498 117.825 -0.327 19869 3737 1 10 . 1 1 81 81 ARG HA H 81 3.717 3.717 3.847 -0.130 19869 3738 1 10 . 1 1 81 81 ARG CA C 81 59.030 59.030 59.784 -0.754 19869 3739 1 10 . 1 1 81 81 ARG CB C 81 29.500 29.500 29.838 -0.338 19869 3740 1 10 . 1 1 81 81 ARG H H 81 8.241 8.241 7.960 0.281 19869 3741 1 10 . 1 1 82 82 GLU N N 82 117.300 117.300 117.665 -0.365 19869 3742 1 10 . 1 1 82 82 GLU HA H 82 4.060 4.060 4.014 0.046 19869 3743 1 10 . 1 1 82 82 GLU CA C 82 58.205 58.205 58.861 -0.656 19869 3744 1 10 . 1 1 82 82 GLU CB C 82 29.539 29.539 28.920 0.619 19869 3745 1 10 . 1 1 82 82 GLU H H 82 7.671 7.671 7.777 -0.106 19869 3746 1 10 . 1 1 83 83 GLN N N 83 117.205 117.205 117.125 0.080 19869 3747 1 10 . 1 1 83 83 GLN HA H 83 4.192 4.192 4.246 -0.054 19869 3748 1 10 . 1 1 83 83 GLN CA C 83 56.940 56.940 57.046 -0.106 19869 3749 1 10 . 1 1 83 83 GLN CB C 83 29.110 29.110 28.820 0.290 19869 3750 1 10 . 1 1 83 83 GLN H H 83 7.745 7.745 7.533 0.212 19869 3751 1 10 . 1 1 84 84 LEU N N 84 120.465 120.465 120.491 -0.026 19869 3752 1 10 . 1 1 84 84 LEU HA H 84 4.301 4.301 4.438 -0.137 19869 3753 1 10 . 1 1 84 84 LEU CA C 84 55.180 55.180 56.302 -1.122 19869 3754 1 10 . 1 1 84 84 LEU CB C 84 42.190 42.190 43.055 -0.865 19869 3755 1 10 . 1 1 84 84 LEU H H 84 7.500 7.500 7.527 -0.027 19869 3756 1 10 . 1 1 85 85 LYS N N 85 126.524 126.524 118.198 8.326 19869 3757 1 10 . 1 1 85 85 LYS HA H 85 4.063 4.063 4.127 -0.064 19869 3758 1 10 . 1 1 85 85 LYS CA C 85 57.499 57.499 57.507 -0.008 19869 3759 1 10 . 1 1 85 85 LYS CB C 85 33.640 33.640 32.584 1.056 19869 3760 1 10 . 1 1 85 85 LYS H H 85 7.525 7.525 8.003 -0.478 19869 3761 1 11 . 1 1 8 8 PRO HA H 8 4.396 4.396 4.370 0.026 19869 3762 1 11 . 1 1 8 8 PRO CA C 8 63.046 63.046 62.987 0.059 19869 3763 1 11 . 1 1 8 8 PRO CB C 8 32.151 32.151 31.274 0.877 19869 3764 1 11 . 1 1 9 9 LYS N N 9 121.282 121.282 123.586 -2.304 19869 3765 1 11 . 1 1 9 9 LYS HA H 9 4.373 4.373 4.786 -0.413 19869 3766 1 11 . 1 1 9 9 LYS CA C 9 56.140 56.140 55.340 0.800 19869 3767 1 11 . 1 1 9 9 LYS CB C 9 33.680 33.680 34.850 -1.170 19869 3768 1 11 . 1 1 9 9 LYS H H 9 8.363 8.363 8.058 0.305 19869 3769 1 11 . 1 1 10 10 THR N N 10 117.787 117.787 114.143 3.644 19869 3770 1 11 . 1 1 10 10 THR HA H 10 4.357 4.357 4.528 -0.171 19869 3771 1 11 . 1 1 10 10 THR CA C 10 61.620 61.620 61.186 0.434 19869 3772 1 11 . 1 1 10 10 THR CB C 10 70.393 70.393 70.472 -0.079 19869 3773 1 11 . 1 1 10 10 THR H H 10 8.675 8.675 8.246 0.429 19869 3774 1 11 . 1 1 11 11 ARG N N 11 123.980 123.980 122.747 1.233 19869 3775 1 11 . 1 1 11 11 ARG HA H 11 5.043 5.043 5.228 -0.185 19869 3776 1 11 . 1 1 11 11 ARG CA C 11 55.142 55.142 55.024 0.118 19869 3777 1 11 . 1 1 11 11 ARG CB C 11 32.130 32.130 32.181 -0.051 19869 3778 1 11 . 1 1 11 11 ARG H H 11 8.322 8.322 8.456 -0.134 19869 3779 1 11 . 1 1 12 12 VAL N N 12 124.311 124.311 122.514 1.797 19869 3780 1 11 . 1 1 12 12 VAL HA H 12 4.410 4.410 4.539 -0.129 19869 3781 1 11 . 1 1 12 12 VAL CA C 12 60.866 60.866 60.002 0.864 19869 3782 1 11 . 1 1 12 12 VAL CB C 12 35.447 35.447 36.046 -0.599 19869 3783 1 11 . 1 1 12 12 VAL H H 12 8.853 8.853 9.199 -0.346 19869 3784 1 11 . 1 1 13 13 SER N N 13 122.286 122.286 124.539 -2.253 19869 3785 1 11 . 1 1 13 13 SER HA H 13 5.435 5.435 5.470 -0.035 19869 3786 1 11 . 1 1 13 13 SER CA C 13 57.199 57.199 57.508 -0.308 19869 3787 1 11 . 1 1 13 13 SER CB C 13 63.535 63.535 63.677 -0.142 19869 3788 1 11 . 1 1 13 13 SER H H 13 8.581 8.581 8.528 0.053 19869 3789 1 11 . 1 1 14 14 VAL N N 14 119.340 119.340 120.893 -1.553 19869 3790 1 11 . 1 1 14 14 VAL HA H 14 4.491 4.491 4.595 -0.104 19869 3791 1 11 . 1 1 14 14 VAL CA C 14 56.271 56.271 59.193 -2.921 19869 3792 1 11 . 1 1 14 14 VAL CB C 14 35.709 35.709 35.297 0.412 19869 3793 1 11 . 1 1 14 14 VAL H H 14 9.154 9.154 9.011 0.143 19869 3794 1 11 . 1 1 15 15 ARG N N 15 123.689 123.689 123.706 -0.017 19869 3795 1 11 . 1 1 15 15 ARG HA H 15 5.333 5.333 5.027 0.306 19869 3796 1 11 . 1 1 15 15 ARG CA C 15 54.830 54.830 55.450 -0.620 19869 3797 1 11 . 1 1 15 15 ARG CB C 15 31.780 31.780 31.301 0.479 19869 3798 1 11 . 1 1 15 15 ARG H H 15 8.467 8.467 8.552 -0.085 19869 3799 1 11 . 1 1 16 16 ILE N N 16 125.117 125.117 126.323 -1.206 19869 3800 1 11 . 1 1 16 16 ILE HA H 16 4.189 4.189 4.683 -0.494 19869 3801 1 11 . 1 1 16 16 ILE CA C 16 61.240 61.240 60.949 0.291 19869 3802 1 11 . 1 1 16 16 ILE CB C 16 41.680 41.680 41.200 0.480 19869 3803 1 11 . 1 1 16 16 ILE H H 16 9.174 9.174 9.106 0.068 19869 3804 1 11 . 1 1 17 17 TYR N N 17 137.064 137.064 129.188 7.876 19869 3805 1 11 . 1 1 17 17 TYR HA H 17 3.836 3.836 4.172 -0.336 19869 3806 1 11 . 1 1 17 17 TYR CA C 17 59.876 59.876 59.686 0.190 19869 3807 1 11 . 1 1 17 17 TYR CB C 17 39.379 39.379 37.831 1.548 19869 3808 1 11 . 1 1 17 17 TYR H H 17 10.623 10.623 10.247 0.376 19869 3809 1 11 . 1 1 18 18 GLY N N 18 102.991 102.991 104.971 -1.980 19869 3810 1 11 . 1 1 18 18 GLY CA C 18 45.674 45.674 44.977 0.697 19869 3811 1 11 . 1 1 18 18 GLY H H 18 8.604 8.604 8.576 0.028 19869 3812 1 11 . 1 1 19 19 GLN N N 19 119.104 119.104 121.652 -2.548 19869 3813 1 11 . 1 1 19 19 GLN HA H 19 4.566 4.566 4.494 0.072 19869 3814 1 11 . 1 1 19 19 GLN CA C 19 53.719 53.719 54.683 -0.964 19869 3815 1 11 . 1 1 19 19 GLN CB C 19 32.230 32.230 30.317 1.913 19869 3816 1 11 . 1 1 19 19 GLN H H 19 7.724 7.724 7.840 -0.116 19869 3817 1 11 . 1 1 20 20 ASP N N 20 121.913 121.913 120.301 1.612 19869 3818 1 11 . 1 1 20 20 ASP HA H 20 5.340 5.340 5.263 0.077 19869 3819 1 11 . 1 1 20 20 ASP CA C 20 54.370 54.370 52.869 1.501 19869 3820 1 11 . 1 1 20 20 ASP CB C 20 42.600 42.600 42.317 0.283 19869 3821 1 11 . 1 1 20 20 ASP H H 20 8.217 8.217 8.236 -0.019 19869 3822 1 11 . 1 1 21 21 TYR N N 21 120.801 120.801 120.325 0.476 19869 3823 1 11 . 1 1 21 21 TYR HA H 21 4.538 4.538 4.752 -0.214 19869 3824 1 11 . 1 1 21 21 TYR CA C 21 57.640 57.640 56.765 0.875 19869 3825 1 11 . 1 1 21 21 TYR CB C 21 42.201 42.201 42.527 -0.326 19869 3826 1 11 . 1 1 21 21 TYR H H 21 9.330 9.330 9.092 0.238 19869 3827 1 11 . 1 1 22 22 THR N N 22 118.813 118.813 119.623 -0.810 19869 3828 1 11 . 1 1 22 22 THR HA H 22 4.390 4.390 4.921 -0.531 19869 3829 1 11 . 1 1 22 22 THR CA C 22 63.230 63.230 62.341 0.889 19869 3830 1 11 . 1 1 22 22 THR CB C 22 69.380 69.380 68.546 0.834 19869 3831 1 11 . 1 1 22 22 THR H H 22 8.888 8.888 8.543 0.345 19869 3832 1 11 . 1 1 23 23 ILE N N 23 129.291 129.291 122.929 6.362 19869 3833 1 11 . 1 1 23 23 ILE HA H 23 4.268 4.268 4.843 -0.575 19869 3834 1 11 . 1 1 23 23 ILE CA C 23 59.121 59.121 58.983 0.138 19869 3835 1 11 . 1 1 23 23 ILE CB C 23 37.060 37.060 41.199 -4.139 19869 3836 1 11 . 1 1 23 23 ILE H H 23 9.212 9.212 9.189 0.023 19869 3837 1 11 . 1 1 24 24 VAL N N 24 127.112 127.112 119.758 7.354 19869 3838 1 11 . 1 1 24 24 VAL HA H 24 5.073 5.073 4.442 0.631 19869 3839 1 11 . 1 1 24 24 VAL CA C 24 60.246 60.246 62.118 -1.872 19869 3840 1 11 . 1 1 24 24 VAL CB C 24 33.415 33.415 32.800 0.615 19869 3841 1 11 . 1 1 24 24 VAL H H 24 8.345 8.345 8.301 0.044 19869 3842 1 11 . 1 1 25 25 GLY N N 25 113.745 113.745 114.745 -1.000 19869 3843 1 11 . 1 1 25 25 GLY CA C 25 45.920 45.920 44.963 0.957 19869 3844 1 11 . 1 1 25 25 GLY H H 25 8.540 8.540 8.705 -0.165 19869 3845 1 11 . 1 1 26 26 ALA N N 26 123.321 123.321 121.960 1.361 19869 3846 1 11 . 1 1 26 26 ALA HA H 26 4.644 4.644 4.263 0.381 19869 3847 1 11 . 1 1 26 26 ALA CA C 26 51.639 51.639 52.717 -1.078 19869 3848 1 11 . 1 1 26 26 ALA CB C 26 19.725 19.725 17.409 2.316 19869 3849 1 11 . 1 1 26 26 ALA H H 26 8.593 8.593 8.364 0.229 19869 3850 1 11 . 1 1 27 27 GLU N N 27 118.135 118.135 118.543 -0.408 19869 3851 1 11 . 1 1 27 27 GLU HA H 27 4.302 4.302 4.599 -0.297 19869 3852 1 11 . 1 1 27 27 GLU CA C 27 55.670 55.670 58.089 -2.419 19869 3853 1 11 . 1 1 27 27 GLU CB C 27 30.724 30.724 30.646 0.078 19869 3854 1 11 . 1 1 27 27 GLU H H 27 8.120 8.120 8.527 -0.407 19869 3855 1 11 . 1 1 28 28 SER N N 28 115.651 115.651 114.172 1.479 19869 3856 1 11 . 1 1 28 28 SER HA H 28 4.700 4.700 4.930 -0.230 19869 3857 1 11 . 1 1 28 28 SER CA C 28 56.044 56.044 55.846 0.198 19869 3858 1 11 . 1 1 28 28 SER H H 28 8.723 8.723 8.041 0.682 19869 3859 1 11 . 1 1 29 29 PRO HA H 29 4.111 4.111 4.188 -0.077 19869 3860 1 11 . 1 1 29 29 PRO CA C 29 65.792 65.792 65.789 0.003 19869 3861 1 11 . 1 1 29 29 PRO CB C 29 31.750 31.750 31.830 -0.080 19869 3862 1 11 . 1 1 30 30 ALA N N 30 117.252 117.252 118.860 -1.608 19869 3863 1 11 . 1 1 30 30 ALA HA H 30 4.028 4.028 4.117 -0.089 19869 3864 1 11 . 1 1 30 30 ALA CA C 30 55.258 55.258 54.515 0.743 19869 3865 1 11 . 1 1 30 30 ALA CB C 30 18.240 18.240 18.224 0.016 19869 3866 1 11 . 1 1 30 30 ALA H H 30 7.994 7.994 7.819 0.175 19869 3867 1 11 . 1 1 31 31 HIS N N 31 119.161 119.161 119.079 0.082 19869 3868 1 11 . 1 1 31 31 HIS HA H 31 4.278 4.278 4.221 0.057 19869 3869 1 11 . 1 1 31 31 HIS CA C 31 59.697 59.697 59.038 0.659 19869 3870 1 11 . 1 1 31 31 HIS CB C 31 30.320 30.320 30.231 0.089 19869 3871 1 11 . 1 1 31 31 HIS H H 31 7.902 7.902 7.705 0.197 19869 3872 1 11 . 1 1 32 32 ILE N N 32 118.000 118.000 115.498 2.502 19869 3873 1 11 . 1 1 32 32 ILE HA H 32 3.478 3.478 3.910 -0.432 19869 3874 1 11 . 1 1 32 32 ILE CA C 32 63.480 63.480 63.884 -0.404 19869 3875 1 11 . 1 1 32 32 ILE CB C 32 36.290 36.290 37.615 -1.325 19869 3876 1 11 . 1 1 32 32 ILE H H 32 8.092 8.092 8.539 -0.447 19869 3877 1 11 . 1 1 33 33 ARG N N 33 118.612 118.612 120.694 -2.082 19869 3878 1 11 . 1 1 33 33 ARG HA H 33 3.911 3.911 4.174 -0.263 19869 3879 1 11 . 1 1 33 33 ARG CA C 33 60.741 60.741 59.261 1.480 19869 3880 1 11 . 1 1 33 33 ARG CB C 33 29.839 29.839 30.414 -0.575 19869 3881 1 11 . 1 1 33 33 ARG H H 33 8.436 8.436 7.505 0.931 19869 3882 1 11 . 1 1 34 34 LEU N N 34 122.935 122.935 118.084 4.851 19869 3883 1 11 . 1 1 34 34 LEU HA H 34 4.154 4.154 4.371 -0.217 19869 3884 1 11 . 1 1 34 34 LEU CA C 34 57.400 57.400 57.709 -0.309 19869 3885 1 11 . 1 1 34 34 LEU CB C 34 41.998 41.998 41.633 0.366 19869 3886 1 11 . 1 1 34 34 LEU H H 34 7.565 7.565 7.706 -0.141 19869 3887 1 11 . 1 1 35 35 VAL N N 35 121.579 121.579 120.471 1.108 19869 3888 1 11 . 1 1 35 35 VAL HA H 35 3.333 3.333 3.528 -0.195 19869 3889 1 11 . 1 1 35 35 VAL CA C 35 66.440 66.440 66.810 -0.370 19869 3890 1 11 . 1 1 35 35 VAL CB C 35 31.149 31.149 31.257 -0.108 19869 3891 1 11 . 1 1 35 35 VAL H H 35 8.414 8.414 7.464 0.950 19869 3892 1 11 . 1 1 36 36 ALA N N 36 121.368 121.368 121.759 -0.391 19869 3893 1 11 . 1 1 36 36 ALA HA H 36 3.794 3.794 4.096 -0.302 19869 3894 1 11 . 1 1 36 36 ALA CA C 36 55.555 55.555 55.221 0.334 19869 3895 1 11 . 1 1 36 36 ALA CB C 36 18.310 18.310 18.086 0.224 19869 3896 1 11 . 1 1 36 36 ALA H H 36 8.791 8.791 7.860 0.931 19869 3897 1 11 . 1 1 37 37 ALA N N 37 119.373 119.373 120.533 -1.160 19869 3898 1 11 . 1 1 37 37 ALA HA H 37 4.305 4.305 4.106 0.199 19869 3899 1 11 . 1 1 37 37 ALA CA C 37 54.825 54.825 54.593 0.232 19869 3900 1 11 . 1 1 37 37 ALA CB C 37 18.020 18.020 18.490 -0.470 19869 3901 1 11 . 1 1 37 37 ALA H H 37 7.648 7.648 7.975 -0.327 19869 3902 1 11 . 1 1 38 38 PHE N N 38 120.906 120.906 120.560 0.346 19869 3903 1 11 . 1 1 38 38 PHE HA H 38 4.449 4.449 4.268 0.181 19869 3904 1 11 . 1 1 38 38 PHE CA C 38 61.148 61.148 61.542 -0.394 19869 3905 1 11 . 1 1 38 38 PHE CB C 38 39.350 39.350 39.526 -0.177 19869 3906 1 11 . 1 1 38 38 PHE H H 38 7.923 7.923 7.879 0.044 19869 3907 1 11 . 1 1 39 39 VAL N N 39 119.731 119.731 119.559 0.172 19869 3908 1 11 . 1 1 39 39 VAL HA H 39 3.219 3.219 3.498 -0.279 19869 3909 1 11 . 1 1 39 39 VAL CA C 39 67.520 67.520 65.613 1.907 19869 3910 1 11 . 1 1 39 39 VAL CB C 39 32.059 32.059 31.934 0.125 19869 3911 1 11 . 1 1 39 39 VAL H H 39 8.482 8.482 8.010 0.472 19869 3912 1 11 . 1 1 40 40 ASP N N 40 120.200 120.200 120.680 -0.480 19869 3913 1 11 . 1 1 40 40 ASP HA H 40 4.449 4.449 4.462 -0.013 19869 3914 1 11 . 1 1 40 40 ASP CA C 40 58.600 58.600 58.034 0.566 19869 3915 1 11 . 1 1 40 40 ASP CB C 40 43.300 43.300 40.822 2.478 19869 3916 1 11 . 1 1 40 40 ASP H H 40 8.851 8.851 8.430 0.421 19869 3917 1 11 . 1 1 41 41 ASP N N 41 120.967 120.967 120.544 0.423 19869 3918 1 11 . 1 1 41 41 ASP HA H 41 4.532 4.532 4.465 0.067 19869 3919 1 11 . 1 1 41 41 ASP CA C 41 57.860 57.860 57.148 0.712 19869 3920 1 11 . 1 1 41 41 ASP CB C 41 40.560 40.560 40.634 -0.074 19869 3921 1 11 . 1 1 41 41 ASP H H 41 8.743 8.743 7.946 0.797 19869 3922 1 11 . 1 1 42 42 LYS N N 42 120.600 120.600 120.492 0.108 19869 3923 1 11 . 1 1 42 42 LYS HA H 42 3.967 3.967 4.190 -0.223 19869 3924 1 11 . 1 1 42 42 LYS CA C 42 57.880 57.880 59.145 -1.265 19869 3925 1 11 . 1 1 42 42 LYS CB C 42 31.440 31.440 32.598 -1.158 19869 3926 1 11 . 1 1 42 42 LYS H H 42 7.990 7.990 7.418 0.572 19869 3927 1 11 . 1 1 43 43 MET N N 43 119.600 119.600 114.584 5.016 19869 3928 1 11 . 1 1 43 43 MET HA H 43 3.957 3.957 4.389 -0.432 19869 3929 1 11 . 1 1 43 43 MET CA C 43 55.600 55.600 58.859 -3.259 19869 3930 1 11 . 1 1 43 43 MET CB C 43 33.950 33.950 32.111 1.839 19869 3931 1 11 . 1 1 43 43 MET H H 43 8.844 8.844 8.164 0.680 19869 3932 1 11 . 1 1 44 44 HIS N N 44 115.981 115.981 119.823 -3.842 19869 3933 1 11 . 1 1 44 44 HIS HA H 44 4.408 4.408 4.537 -0.129 19869 3934 1 11 . 1 1 44 44 HIS CA C 44 61.250 61.250 60.401 0.849 19869 3935 1 11 . 1 1 44 44 HIS CB C 44 28.045 28.045 30.503 -2.458 19869 3936 1 11 . 1 1 44 44 HIS H H 44 8.296 8.296 7.678 0.618 19869 3937 1 11 . 1 1 45 45 GLU N N 45 122.501 122.501 119.995 2.506 19869 3938 1 11 . 1 1 45 45 GLU HA H 45 4.034 4.034 4.049 -0.015 19869 3939 1 11 . 1 1 45 45 GLU CA C 45 59.580 59.580 58.838 0.742 19869 3940 1 11 . 1 1 45 45 GLU CB C 45 29.533 29.533 29.132 0.401 19869 3941 1 11 . 1 1 45 45 GLU H H 45 8.399 8.399 7.899 0.500 19869 3942 1 11 . 1 1 46 46 PHE N N 46 118.451 118.451 120.216 -1.765 19869 3943 1 11 . 1 1 46 46 PHE HA H 46 4.183 4.183 4.422 -0.239 19869 3944 1 11 . 1 1 46 46 PHE CA C 46 61.689 61.689 60.736 0.953 19869 3945 1 11 . 1 1 46 46 PHE CB C 46 38.979 38.979 38.672 0.307 19869 3946 1 11 . 1 1 46 46 PHE H H 46 8.320 8.320 7.965 0.355 19869 3947 1 11 . 1 1 47 47 SER N N 47 114.878 114.878 112.921 1.957 19869 3948 1 11 . 1 1 47 47 SER HA H 47 4.111 4.111 4.249 -0.138 19869 3949 1 11 . 1 1 47 47 SER CA C 47 60.281 60.281 61.320 -1.039 19869 3950 1 11 . 1 1 47 47 SER CB C 47 63.321 63.321 62.711 0.610 19869 3951 1 11 . 1 1 47 47 SER H H 47 8.278 8.278 7.857 0.421 19869 3952 1 11 . 1 1 48 48 GLU N N 48 118.579 118.579 119.120 -0.541 19869 3953 1 11 . 1 1 48 48 GLU HA H 48 4.059 4.059 4.218 -0.159 19869 3954 1 11 . 1 1 48 48 GLU CA C 48 58.641 58.641 58.410 0.231 19869 3955 1 11 . 1 1 48 48 GLU CB C 48 29.720 29.720 29.991 -0.271 19869 3956 1 11 . 1 1 48 48 GLU H H 48 7.651 7.651 7.552 0.099 19869 3957 1 11 . 1 1 49 49 LYS N N 49 116.048 116.048 117.380 -1.332 19869 3958 1 11 . 1 1 49 49 LYS HA H 49 4.211 4.211 4.294 -0.083 19869 3959 1 11 . 1 1 49 49 LYS CA C 49 57.580 57.580 56.456 1.124 19869 3960 1 11 . 1 1 49 49 LYS CB C 49 33.450 33.450 33.295 0.155 19869 3961 1 11 . 1 1 49 49 LYS H H 49 7.281 7.281 7.483 -0.202 19869 3962 1 11 . 1 1 50 50 GLN N N 50 117.953 117.953 116.465 1.488 19869 3963 1 11 . 1 1 50 50 GLN HA H 50 4.249 4.249 4.110 0.139 19869 3964 1 11 . 1 1 50 50 GLN CA C 50 55.610 55.610 55.576 0.034 19869 3965 1 11 . 1 1 50 50 GLN CB C 50 30.050 30.050 27.344 2.706 19869 3966 1 11 . 1 1 50 50 GLN H H 50 7.930 7.930 8.219 -0.289 19869 3967 1 11 . 1 1 51 51 PRO HA H 51 4.597 4.597 4.225 0.372 19869 3968 1 11 . 1 1 51 51 PRO CA C 51 63.600 63.600 64.942 -1.342 19869 3969 1 11 . 1 1 51 51 PRO CB C 51 32.522 32.522 32.033 0.489 19869 3970 1 11 . 1 1 52 52 MET N N 52 115.230 115.230 116.685 -1.455 19869 3971 1 11 . 1 1 52 52 MET HA H 52 4.513 4.513 4.605 -0.092 19869 3972 1 11 . 1 1 52 52 MET CA C 52 55.505 55.505 54.725 0.780 19869 3973 1 11 . 1 1 52 52 MET CB C 52 30.920 30.920 32.891 -1.971 19869 3974 1 11 . 1 1 52 52 MET H H 52 8.558 8.558 8.093 0.465 19869 3975 1 11 . 1 1 53 53 LEU N N 53 120.540 120.540 118.775 1.765 19869 3976 1 11 . 1 1 53 53 LEU HA H 53 4.252 4.252 4.001 0.251 19869 3977 1 11 . 1 1 53 53 LEU CA C 53 55.690 55.690 55.712 -0.022 19869 3978 1 11 . 1 1 53 53 LEU CB C 53 42.728 42.728 41.397 1.331 19869 3979 1 11 . 1 1 53 53 LEU H H 53 7.557 7.557 7.774 -0.217 19869 3980 1 11 . 1 1 54 54 ASP N N 54 121.294 121.294 117.578 3.716 19869 3981 1 11 . 1 1 54 54 ASP HA H 54 4.640 4.640 4.731 -0.091 19869 3982 1 11 . 1 1 54 54 ASP CA C 54 52.280 52.280 53.127 -0.847 19869 3983 1 11 . 1 1 54 54 ASP CB C 54 41.330 41.330 43.025 -1.694 19869 3984 1 11 . 1 1 54 54 ASP H H 54 7.941 7.941 7.760 0.181 19869 3985 1 11 . 1 1 55 55 VAL N N 55 118.701 118.701 122.463 -3.762 19869 3986 1 11 . 1 1 55 55 VAL HA H 55 4.277 4.277 3.965 0.312 19869 3987 1 11 . 1 1 55 55 VAL CA C 55 62.510 62.510 65.993 -3.483 19869 3988 1 11 . 1 1 55 55 VAL CB C 55 29.900 29.900 30.398 -0.499 19869 3989 1 11 . 1 1 55 55 VAL H H 55 8.444 8.444 8.259 0.185 19869 3990 1 11 . 1 1 56 56 PRO HA H 56 3.981 3.981 4.285 -0.304 19869 3991 1 11 . 1 1 56 56 PRO CA C 56 66.840 66.840 65.663 1.177 19869 3992 1 11 . 1 1 56 56 PRO CB C 56 30.875 30.875 31.063 -0.188 19869 3993 1 11 . 1 1 57 57 LYS N N 57 114.335 114.335 115.176 -0.841 19869 3994 1 11 . 1 1 57 57 LYS HA H 57 4.213 4.213 4.243 -0.030 19869 3995 1 11 . 1 1 57 57 LYS CA C 57 60.027 60.027 56.540 3.487 19869 3996 1 11 . 1 1 57 57 LYS CB C 57 33.700 33.700 31.465 2.235 19869 3997 1 11 . 1 1 57 57 LYS H H 57 7.224 7.224 8.253 -1.029 19869 3998 1 11 . 1 1 58 58 LEU N N 58 119.010 119.010 119.331 -0.321 19869 3999 1 11 . 1 1 58 58 LEU HA H 58 3.714 3.714 4.267 -0.553 19869 4000 1 11 . 1 1 58 58 LEU CA C 58 57.900 57.900 56.465 1.435 19869 4001 1 11 . 1 1 58 58 LEU CB C 58 42.966 42.966 43.420 -0.455 19869 4002 1 11 . 1 1 58 58 LEU H H 58 8.369 8.369 7.781 0.588 19869 4003 1 11 . 1 1 59 59 ALA N N 59 122.559 122.559 121.139 1.420 19869 4004 1 11 . 1 1 59 59 ALA HA H 59 3.720 3.720 4.155 -0.435 19869 4005 1 11 . 1 1 59 59 ALA CA C 59 55.510 55.510 54.626 0.884 19869 4006 1 11 . 1 1 59 59 ALA CB C 59 19.020 19.020 18.417 0.603 19869 4007 1 11 . 1 1 59 59 ALA H H 59 8.686 8.686 8.011 0.675 19869 4008 1 11 . 1 1 60 60 VAL N N 60 118.664 118.664 114.438 4.226 19869 4009 1 11 . 1 1 60 60 VAL HA H 60 3.251 3.251 3.899 -0.648 19869 4010 1 11 . 1 1 60 60 VAL CA C 60 67.397 67.397 64.872 2.525 19869 4011 1 11 . 1 1 60 60 VAL CB C 60 31.340 31.340 31.031 0.309 19869 4012 1 11 . 1 1 60 60 VAL H H 60 7.777 7.777 7.436 0.341 19869 4013 1 11 . 1 1 61 61 LEU N N 61 118.415 118.415 121.594 -3.179 19869 4014 1 11 . 1 1 61 61 LEU HA H 61 3.553 3.553 4.037 -0.484 19869 4015 1 11 . 1 1 61 61 LEU CA C 61 58.150 58.150 57.791 0.359 19869 4016 1 11 . 1 1 61 61 LEU CB C 61 40.340 40.340 41.501 -1.161 19869 4017 1 11 . 1 1 61 61 LEU H H 61 8.328 8.328 7.507 0.821 19869 4018 1 11 . 1 1 62 62 THR N N 62 117.416 117.416 113.205 4.211 19869 4019 1 11 . 1 1 62 62 THR HA H 62 4.130 4.130 3.879 0.251 19869 4020 1 11 . 1 1 62 62 THR CA C 62 67.220 67.220 66.044 1.176 19869 4021 1 11 . 1 1 62 62 THR CB C 62 68.364 68.364 68.039 0.325 19869 4022 1 11 . 1 1 62 62 THR H H 62 7.787 7.787 7.462 0.325 19869 4023 1 11 . 1 1 63 63 ALA N N 63 124.319 124.319 124.284 0.035 19869 4024 1 11 . 1 1 63 63 ALA HA H 63 3.746 3.746 4.095 -0.349 19869 4025 1 11 . 1 1 63 63 ALA CA C 63 56.243 56.243 54.999 1.244 19869 4026 1 11 . 1 1 63 63 ALA CB C 63 17.121 17.121 17.986 -0.865 19869 4027 1 11 . 1 1 63 63 ALA H H 63 8.175 8.175 7.404 0.771 19869 4028 1 11 . 1 1 64 64 VAL N N 64 116.756 116.756 118.711 -1.955 19869 4029 1 11 . 1 1 64 64 VAL HA H 64 3.324 3.324 3.701 -0.377 19869 4030 1 11 . 1 1 64 64 VAL CA C 64 66.543 66.543 65.498 1.045 19869 4031 1 11 . 1 1 64 64 VAL CB C 64 31.340 31.340 31.848 -0.508 19869 4032 1 11 . 1 1 64 64 VAL H H 64 8.422 8.422 7.537 0.885 19869 4033 1 11 . 1 1 65 65 GLN N N 65 120.091 120.091 120.576 -0.485 19869 4034 1 11 . 1 1 65 65 GLN HA H 65 4.015 4.015 4.177 -0.162 19869 4035 1 11 . 1 1 65 65 GLN CA C 65 59.290 59.290 59.081 0.209 19869 4036 1 11 . 1 1 65 65 GLN CB C 65 28.450 28.450 28.924 -0.474 19869 4037 1 11 . 1 1 65 65 GLN H H 65 7.924 7.924 7.667 0.257 19869 4038 1 11 . 1 1 66 66 ILE N N 66 118.358 118.358 120.532 -2.174 19869 4039 1 11 . 1 1 66 66 ILE HA H 66 3.526 3.526 3.782 -0.256 19869 4040 1 11 . 1 1 66 66 ILE CA C 66 65.305 65.305 65.065 0.240 19869 4041 1 11 . 1 1 66 66 ILE H H 66 8.441 8.441 8.322 0.119 19869 4042 1 11 . 1 1 67 67 ALA N N 67 121.518 121.518 121.589 -0.071 19869 4043 1 11 . 1 1 67 67 ALA HA H 67 4.025 4.025 4.074 -0.049 19869 4044 1 11 . 1 1 67 67 ALA CA C 67 55.501 55.501 55.583 -0.082 19869 4045 1 11 . 1 1 67 67 ALA CB C 67 19.668 19.668 18.346 1.322 19869 4046 1 11 . 1 1 67 67 ALA H H 67 8.947 8.947 7.923 1.024 19869 4047 1 11 . 1 1 68 68 SER N N 68 112.523 112.523 114.054 -1.531 19869 4048 1 11 . 1 1 68 68 SER HA H 68 4.174 4.174 4.187 -0.013 19869 4049 1 11 . 1 1 68 68 SER CA C 68 61.429 61.429 61.641 -0.212 19869 4050 1 11 . 1 1 68 68 SER CB C 68 63.011 63.011 62.771 0.240 19869 4051 1 11 . 1 1 68 68 SER H H 68 8.492 8.492 7.783 0.709 19869 4052 1 11 . 1 1 69 69 GLU N N 69 117.397 117.397 122.440 -5.043 19869 4053 1 11 . 1 1 69 69 GLU HA H 69 3.998 3.998 4.076 -0.078 19869 4054 1 11 . 1 1 69 69 GLU CA C 69 59.181 59.181 59.183 -0.002 19869 4055 1 11 . 1 1 69 69 GLU CB C 69 28.760 28.760 29.465 -0.705 19869 4056 1 11 . 1 1 69 69 GLU H H 69 7.579 7.579 8.186 -0.607 19869 4057 1 11 . 1 1 70 70 TYR N N 70 120.853 120.853 118.862 1.991 19869 4058 1 11 . 1 1 70 70 TYR HA H 70 4.352 4.352 4.467 -0.115 19869 4059 1 11 . 1 1 70 70 TYR CA C 70 60.530 60.530 60.456 0.073 19869 4060 1 11 . 1 1 70 70 TYR CB C 70 38.480 38.480 38.259 0.221 19869 4061 1 11 . 1 1 70 70 TYR H H 70 8.635 8.635 8.083 0.552 19869 4062 1 11 . 1 1 71 71 LEU N N 71 119.400 119.400 121.909 -2.509 19869 4063 1 11 . 1 1 71 71 LEU HA H 71 3.554 3.554 4.038 -0.484 19869 4064 1 11 . 1 1 71 71 LEU CA C 71 58.368 58.368 57.947 0.421 19869 4065 1 11 . 1 1 71 71 LEU CB C 71 40.564 40.564 41.957 -1.393 19869 4066 1 11 . 1 1 71 71 LEU H H 71 8.836 8.836 7.770 1.066 19869 4067 1 11 . 1 1 72 72 LYS N N 72 119.127 119.127 118.569 0.558 19869 4068 1 11 . 1 1 72 72 LYS HA H 72 4.095 4.095 4.122 -0.027 19869 4069 1 11 . 1 1 72 72 LYS CA C 72 59.780 59.780 59.009 0.771 19869 4070 1 11 . 1 1 72 72 LYS CB C 72 32.640 32.640 31.953 0.687 19869 4071 1 11 . 1 1 72 72 LYS H H 72 7.957 7.957 7.663 0.294 19869 4072 1 11 . 1 1 73 73 LEU N N 73 122.487 122.487 121.931 0.556 19869 4073 1 11 . 1 1 73 73 LEU HA H 73 4.127 4.127 4.256 -0.129 19869 4074 1 11 . 1 1 73 73 LEU CA C 73 57.340 57.340 57.843 -0.503 19869 4075 1 11 . 1 1 73 73 LEU CB C 73 41.020 41.020 41.812 -0.792 19869 4076 1 11 . 1 1 73 73 LEU H H 73 8.033 8.033 7.335 0.698 19869 4077 1 11 . 1 1 74 74 LYS N N 74 120.309 120.309 118.537 1.772 19869 4078 1 11 . 1 1 74 74 LYS HA H 74 3.759 3.759 4.119 -0.360 19869 4079 1 11 . 1 1 74 74 LYS CA C 74 60.700 60.700 59.475 1.225 19869 4080 1 11 . 1 1 74 74 LYS CB C 74 32.140 32.140 31.858 0.282 19869 4081 1 11 . 1 1 74 74 LYS H H 74 8.750 8.750 7.971 0.779 19869 4082 1 11 . 1 1 75 75 GLU N N 75 118.296 118.296 120.327 -2.031 19869 4083 1 11 . 1 1 75 75 GLU HA H 75 4.098 4.098 4.134 -0.036 19869 4084 1 11 . 1 1 75 75 GLU CA C 75 59.330 59.330 58.948 0.382 19869 4085 1 11 . 1 1 75 75 GLU CB C 75 29.500 29.500 29.362 0.138 19869 4086 1 11 . 1 1 75 75 GLU H H 75 7.274 7.274 7.985 -0.711 19869 4087 1 11 . 1 1 76 76 GLU N N 76 120.788 120.788 120.156 0.632 19869 4088 1 11 . 1 1 76 76 GLU HA H 76 4.152 4.152 4.053 0.099 19869 4089 1 11 . 1 1 76 76 GLU CA C 76 59.082 59.082 59.352 -0.271 19869 4090 1 11 . 1 1 76 76 GLU CB C 76 29.235 29.235 29.638 -0.403 19869 4091 1 11 . 1 1 76 76 GLU H H 76 7.756 7.756 7.634 0.122 19869 4092 1 11 . 1 1 77 77 TYR N N 77 121.399 121.399 120.188 1.211 19869 4093 1 11 . 1 1 77 77 TYR HA H 77 4.210 4.210 4.081 0.129 19869 4094 1 11 . 1 1 77 77 TYR CA C 77 61.704 61.704 60.809 0.895 19869 4095 1 11 . 1 1 77 77 TYR CB C 77 38.889 38.889 38.303 0.586 19869 4096 1 11 . 1 1 77 77 TYR H H 77 9.401 9.401 7.807 1.594 19869 4097 1 11 . 1 1 78 78 GLN N N 78 118.068 118.068 116.878 1.190 19869 4098 1 11 . 1 1 78 78 GLN HA H 78 3.784 3.784 3.647 0.137 19869 4099 1 11 . 1 1 78 78 GLN CA C 78 58.915 58.915 58.261 0.654 19869 4100 1 11 . 1 1 78 78 GLN CB C 78 27.880 27.880 28.120 -0.241 19869 4101 1 11 . 1 1 78 78 GLN H H 78 8.169 8.169 7.789 0.380 19869 4102 1 11 . 1 1 79 79 ARG N N 79 118.446 118.446 120.801 -2.355 19869 4103 1 11 . 1 1 79 79 ARG HA H 79 4.045 4.045 4.425 -0.380 19869 4104 1 11 . 1 1 79 79 ARG CA C 79 59.310 59.310 59.081 0.229 19869 4105 1 11 . 1 1 79 79 ARG CB C 79 30.220 30.220 30.147 0.073 19869 4106 1 11 . 1 1 79 79 ARG H H 79 7.814 7.814 8.144 -0.330 19869 4107 1 11 . 1 1 80 80 LEU N N 80 121.039 121.039 120.251 0.788 19869 4108 1 11 . 1 1 80 80 LEU HA H 80 4.130 4.130 4.123 0.007 19869 4109 1 11 . 1 1 80 80 LEU CA C 80 57.689 57.689 57.793 -0.104 19869 4110 1 11 . 1 1 80 80 LEU CB C 80 41.670 41.670 42.036 -0.366 19869 4111 1 11 . 1 1 80 80 LEU H H 80 7.989 7.989 7.880 0.109 19869 4112 1 11 . 1 1 81 81 ARG N N 81 117.498 117.498 118.176 -0.678 19869 4113 1 11 . 1 1 81 81 ARG HA H 81 3.717 3.717 3.946 -0.229 19869 4114 1 11 . 1 1 81 81 ARG CA C 81 59.030 59.030 59.434 -0.405 19869 4115 1 11 . 1 1 81 81 ARG CB C 81 29.500 29.500 29.961 -0.461 19869 4116 1 11 . 1 1 81 81 ARG H H 81 8.241 8.241 7.710 0.531 19869 4117 1 11 . 1 1 82 82 GLU N N 82 117.300 117.300 117.993 -0.693 19869 4118 1 11 . 1 1 82 82 GLU HA H 82 4.060 4.060 3.979 0.081 19869 4119 1 11 . 1 1 82 82 GLU CA C 82 58.205 58.205 58.729 -0.524 19869 4120 1 11 . 1 1 82 82 GLU CB C 82 29.539 29.539 28.820 0.719 19869 4121 1 11 . 1 1 82 82 GLU H H 82 7.671 7.671 8.248 -0.577 19869 4122 1 11 . 1 1 83 83 GLN N N 83 117.205 117.205 117.864 -0.659 19869 4123 1 11 . 1 1 83 83 GLN HA H 83 4.192 4.192 4.170 0.022 19869 4124 1 11 . 1 1 83 83 GLN CA C 83 56.940 56.940 57.841 -0.901 19869 4125 1 11 . 1 1 83 83 GLN CB C 83 29.110 29.110 28.909 0.201 19869 4126 1 11 . 1 1 83 83 GLN H H 83 7.745 7.745 7.519 0.226 19869 4127 1 11 . 1 1 84 84 LEU N N 84 120.465 120.465 118.553 1.912 19869 4128 1 11 . 1 1 84 84 LEU HA H 84 4.301 4.301 4.309 -0.008 19869 4129 1 11 . 1 1 84 84 LEU CA C 84 55.180 55.180 55.257 -0.076 19869 4130 1 11 . 1 1 84 84 LEU CB C 84 42.190 42.190 43.462 -1.272 19869 4131 1 11 . 1 1 84 84 LEU H H 84 7.500 7.500 7.416 0.084 19869 4132 1 11 . 1 1 85 85 LYS N N 85 126.524 126.524 119.598 6.926 19869 4133 1 11 . 1 1 85 85 LYS HA H 85 4.063 4.063 4.283 -0.220 19869 4134 1 11 . 1 1 85 85 LYS CA C 85 57.499 57.499 56.371 1.128 19869 4135 1 11 . 1 1 85 85 LYS CB C 85 33.640 33.640 32.179 1.461 19869 4136 1 11 . 1 1 85 85 LYS H H 85 7.525 7.525 7.720 -0.195 19869 4137 1 12 . 1 1 8 8 PRO HA H 8 4.396 4.396 4.651 -0.255 19869 4138 1 12 . 1 1 8 8 PRO CA C 8 63.046 63.046 61.872 1.174 19869 4139 1 12 . 1 1 8 8 PRO CB C 8 32.151 32.151 32.826 -0.675 19869 4140 1 12 . 1 1 9 9 LYS N N 9 121.282 121.282 119.689 1.593 19869 4141 1 12 . 1 1 9 9 LYS HA H 9 4.373 4.373 4.109 0.264 19869 4142 1 12 . 1 1 9 9 LYS CA C 9 56.140 56.140 57.352 -1.212 19869 4143 1 12 . 1 1 9 9 LYS CB C 9 33.680 33.680 31.715 1.964 19869 4144 1 12 . 1 1 9 9 LYS H H 9 8.363 8.363 8.429 -0.066 19869 4145 1 12 . 1 1 10 10 THR N N 10 117.787 117.787 117.715 0.072 19869 4146 1 12 . 1 1 10 10 THR HA H 10 4.357 4.357 4.650 -0.293 19869 4147 1 12 . 1 1 10 10 THR CA C 10 61.620 61.620 59.790 1.830 19869 4148 1 12 . 1 1 10 10 THR CB C 10 70.393 70.393 70.190 0.203 19869 4149 1 12 . 1 1 10 10 THR H H 10 8.675 8.675 8.140 0.535 19869 4150 1 12 . 1 1 11 11 ARG N N 11 123.980 123.980 121.614 2.366 19869 4151 1 12 . 1 1 11 11 ARG HA H 11 5.043 5.043 5.419 -0.376 19869 4152 1 12 . 1 1 11 11 ARG CA C 11 55.142 55.142 54.809 0.334 19869 4153 1 12 . 1 1 11 11 ARG CB C 11 32.130 32.130 32.331 -0.201 19869 4154 1 12 . 1 1 11 11 ARG H H 11 8.322 8.322 8.412 -0.090 19869 4155 1 12 . 1 1 12 12 VAL N N 12 124.311 124.311 123.055 1.256 19869 4156 1 12 . 1 1 12 12 VAL HA H 12 4.410 4.410 4.568 -0.158 19869 4157 1 12 . 1 1 12 12 VAL CA C 12 60.866 60.866 59.842 1.024 19869 4158 1 12 . 1 1 12 12 VAL CB C 12 35.447 35.447 36.106 -0.659 19869 4159 1 12 . 1 1 12 12 VAL H H 12 8.853 8.853 9.053 -0.200 19869 4160 1 12 . 1 1 13 13 SER N N 13 122.286 122.286 122.862 -0.576 19869 4161 1 12 . 1 1 13 13 SER HA H 13 5.435 5.435 5.299 0.136 19869 4162 1 12 . 1 1 13 13 SER CA C 13 57.199 57.199 56.617 0.582 19869 4163 1 12 . 1 1 13 13 SER CB C 13 63.535 63.535 63.858 -0.323 19869 4164 1 12 . 1 1 13 13 SER H H 13 8.581 8.581 8.424 0.157 19869 4165 1 12 . 1 1 14 14 VAL N N 14 119.340 119.340 119.701 -0.361 19869 4166 1 12 . 1 1 14 14 VAL HA H 14 4.491 4.491 4.580 -0.089 19869 4167 1 12 . 1 1 14 14 VAL CA C 14 56.271 56.271 59.174 -2.903 19869 4168 1 12 . 1 1 14 14 VAL CB C 14 35.709 35.709 35.609 0.099 19869 4169 1 12 . 1 1 14 14 VAL H H 14 9.154 9.154 9.169 -0.015 19869 4170 1 12 . 1 1 15 15 ARG N N 15 123.689 123.689 123.190 0.499 19869 4171 1 12 . 1 1 15 15 ARG HA H 15 5.333 5.333 5.273 0.060 19869 4172 1 12 . 1 1 15 15 ARG CA C 15 54.830 54.830 55.128 -0.298 19869 4173 1 12 . 1 1 15 15 ARG CB C 15 31.780 31.780 31.466 0.314 19869 4174 1 12 . 1 1 15 15 ARG H H 15 8.467 8.467 8.519 -0.052 19869 4175 1 12 . 1 1 16 16 ILE N N 16 125.117 125.117 126.083 -0.966 19869 4176 1 12 . 1 1 16 16 ILE HA H 16 4.189 4.189 4.697 -0.508 19869 4177 1 12 . 1 1 16 16 ILE CA C 16 61.240 61.240 60.565 0.675 19869 4178 1 12 . 1 1 16 16 ILE CB C 16 41.680 41.680 40.816 0.864 19869 4179 1 12 . 1 1 16 16 ILE H H 16 9.174 9.174 9.239 -0.065 19869 4180 1 12 . 1 1 17 17 TYR N N 17 137.064 137.064 129.441 7.623 19869 4181 1 12 . 1 1 17 17 TYR HA H 17 3.836 3.836 4.153 -0.317 19869 4182 1 12 . 1 1 17 17 TYR CA C 17 59.876 59.876 59.669 0.207 19869 4183 1 12 . 1 1 17 17 TYR CB C 17 39.379 39.379 37.578 1.801 19869 4184 1 12 . 1 1 17 17 TYR H H 17 10.623 10.623 10.172 0.451 19869 4185 1 12 . 1 1 18 18 GLY N N 18 102.991 102.991 104.806 -1.815 19869 4186 1 12 . 1 1 18 18 GLY CA C 18 45.674 45.674 44.878 0.796 19869 4187 1 12 . 1 1 18 18 GLY H H 18 8.604 8.604 8.644 -0.040 19869 4188 1 12 . 1 1 19 19 GLN N N 19 119.104 119.104 119.509 -0.405 19869 4189 1 12 . 1 1 19 19 GLN HA H 19 4.566 4.566 4.523 0.043 19869 4190 1 12 . 1 1 19 19 GLN CA C 19 53.719 53.719 54.135 -0.416 19869 4191 1 12 . 1 1 19 19 GLN CB C 19 32.230 32.230 31.968 0.262 19869 4192 1 12 . 1 1 19 19 GLN H H 19 7.724 7.724 7.820 -0.096 19869 4193 1 12 . 1 1 20 20 ASP N N 20 121.913 121.913 120.909 1.004 19869 4194 1 12 . 1 1 20 20 ASP HA H 20 5.340 5.340 5.176 0.164 19869 4195 1 12 . 1 1 20 20 ASP CA C 20 54.370 54.370 53.508 0.862 19869 4196 1 12 . 1 1 20 20 ASP CB C 20 42.600 42.600 41.631 0.969 19869 4197 1 12 . 1 1 20 20 ASP H H 20 8.217 8.217 8.286 -0.069 19869 4198 1 12 . 1 1 21 21 TYR N N 21 120.801 120.801 124.797 -3.996 19869 4199 1 12 . 1 1 21 21 TYR HA H 21 4.538 4.538 4.780 -0.242 19869 4200 1 12 . 1 1 21 21 TYR CA C 21 57.640 57.640 56.784 0.856 19869 4201 1 12 . 1 1 21 21 TYR CB C 21 42.201 42.201 42.577 -0.376 19869 4202 1 12 . 1 1 21 21 TYR H H 21 9.330 9.330 9.143 0.187 19869 4203 1 12 . 1 1 22 22 THR N N 22 118.813 118.813 120.839 -2.026 19869 4204 1 12 . 1 1 22 22 THR HA H 22 4.390 4.390 5.509 -1.119 19869 4205 1 12 . 1 1 22 22 THR CA C 22 63.230 63.230 61.488 1.742 19869 4206 1 12 . 1 1 22 22 THR CB C 22 69.380 69.380 69.718 -0.338 19869 4207 1 12 . 1 1 22 22 THR H H 22 8.888 8.888 8.535 0.353 19869 4208 1 12 . 1 1 23 23 ILE N N 23 129.291 129.291 121.440 7.851 19869 4209 1 12 . 1 1 23 23 ILE HA H 23 4.268 4.268 4.782 -0.514 19869 4210 1 12 . 1 1 23 23 ILE CA C 23 59.121 59.121 58.948 0.173 19869 4211 1 12 . 1 1 23 23 ILE CB C 23 37.060 37.060 41.087 -4.027 19869 4212 1 12 . 1 1 23 23 ILE H H 23 9.212 9.212 9.031 0.181 19869 4213 1 12 . 1 1 24 24 VAL N N 24 127.112 127.112 121.004 6.108 19869 4214 1 12 . 1 1 24 24 VAL HA H 24 5.073 5.073 4.888 0.185 19869 4215 1 12 . 1 1 24 24 VAL CA C 24 60.246 60.246 61.599 -1.353 19869 4216 1 12 . 1 1 24 24 VAL CB C 24 33.415 33.415 31.577 1.838 19869 4217 1 12 . 1 1 24 24 VAL H H 24 8.345 8.345 8.434 -0.089 19869 4218 1 12 . 1 1 25 25 GLY N N 25 113.745 113.745 114.828 -1.083 19869 4219 1 12 . 1 1 25 25 GLY CA C 25 45.920 45.920 45.501 0.419 19869 4220 1 12 . 1 1 25 25 GLY H H 25 8.540 8.540 8.238 0.302 19869 4221 1 12 . 1 1 26 26 ALA N N 26 123.321 123.321 126.173 -2.852 19869 4222 1 12 . 1 1 26 26 ALA HA H 26 4.644 4.644 4.599 0.045 19869 4223 1 12 . 1 1 26 26 ALA CA C 26 51.639 51.639 52.621 -0.982 19869 4224 1 12 . 1 1 26 26 ALA CB C 26 19.725 19.725 19.963 -0.238 19869 4225 1 12 . 1 1 26 26 ALA H H 26 8.593 8.593 8.226 0.367 19869 4226 1 12 . 1 1 27 27 GLU N N 27 118.135 118.135 118.489 -0.354 19869 4227 1 12 . 1 1 27 27 GLU HA H 27 4.302 4.302 4.216 0.086 19869 4228 1 12 . 1 1 27 27 GLU CA C 27 55.670 55.670 57.029 -1.359 19869 4229 1 12 . 1 1 27 27 GLU CB C 27 30.724 30.724 30.054 0.670 19869 4230 1 12 . 1 1 27 27 GLU H H 27 8.120 8.120 8.487 -0.367 19869 4231 1 12 . 1 1 28 28 SER N N 28 115.651 115.651 114.515 1.136 19869 4232 1 12 . 1 1 28 28 SER HA H 28 4.700 4.700 4.739 -0.039 19869 4233 1 12 . 1 1 28 28 SER CA C 28 56.044 56.044 56.421 -0.377 19869 4234 1 12 . 1 1 28 28 SER H H 28 8.723 8.723 7.625 1.098 19869 4235 1 12 . 1 1 29 29 PRO HA H 29 4.111 4.111 4.184 -0.073 19869 4236 1 12 . 1 1 29 29 PRO CA C 29 65.792 65.792 65.133 0.659 19869 4237 1 12 . 1 1 29 29 PRO CB C 29 31.750 31.750 32.086 -0.336 19869 4238 1 12 . 1 1 30 30 ALA N N 30 117.252 117.252 120.370 -3.118 19869 4239 1 12 . 1 1 30 30 ALA HA H 30 4.028 4.028 4.149 -0.121 19869 4240 1 12 . 1 1 30 30 ALA CA C 30 55.258 55.258 54.320 0.938 19869 4241 1 12 . 1 1 30 30 ALA CB C 30 18.240 18.240 18.346 -0.106 19869 4242 1 12 . 1 1 30 30 ALA H H 30 7.994 7.994 8.149 -0.155 19869 4243 1 12 . 1 1 31 31 HIS N N 31 119.161 119.161 119.375 -0.214 19869 4244 1 12 . 1 1 31 31 HIS HA H 31 4.278 4.278 4.264 0.014 19869 4245 1 12 . 1 1 31 31 HIS CA C 31 59.697 59.697 59.607 0.090 19869 4246 1 12 . 1 1 31 31 HIS CB C 31 30.320 30.320 30.035 0.284 19869 4247 1 12 . 1 1 31 31 HIS H H 31 7.902 7.902 8.092 -0.190 19869 4248 1 12 . 1 1 32 32 ILE N N 32 118.000 118.000 114.968 3.032 19869 4249 1 12 . 1 1 32 32 ILE HA H 32 3.478 3.478 3.808 -0.330 19869 4250 1 12 . 1 1 32 32 ILE CA C 32 63.480 63.480 64.930 -1.450 19869 4251 1 12 . 1 1 32 32 ILE CB C 32 36.290 36.290 37.642 -1.352 19869 4252 1 12 . 1 1 32 32 ILE H H 32 8.092 8.092 8.000 0.092 19869 4253 1 12 . 1 1 33 33 ARG N N 33 118.612 118.612 119.541 -0.929 19869 4254 1 12 . 1 1 33 33 ARG HA H 33 3.911 3.911 4.191 -0.280 19869 4255 1 12 . 1 1 33 33 ARG CA C 33 60.741 60.741 58.892 1.849 19869 4256 1 12 . 1 1 33 33 ARG CB C 33 29.839 29.839 30.298 -0.459 19869 4257 1 12 . 1 1 33 33 ARG H H 33 8.436 8.436 7.278 1.158 19869 4258 1 12 . 1 1 34 34 LEU N N 34 122.935 122.935 118.831 4.104 19869 4259 1 12 . 1 1 34 34 LEU HA H 34 4.154 4.154 4.299 -0.145 19869 4260 1 12 . 1 1 34 34 LEU CA C 34 57.400 57.400 57.737 -0.337 19869 4261 1 12 . 1 1 34 34 LEU CB C 34 41.998 41.998 41.117 0.881 19869 4262 1 12 . 1 1 34 34 LEU H H 34 7.565 7.565 7.893 -0.328 19869 4263 1 12 . 1 1 35 35 VAL N N 35 121.579 121.579 120.582 0.997 19869 4264 1 12 . 1 1 35 35 VAL HA H 35 3.333 3.333 3.470 -0.137 19869 4265 1 12 . 1 1 35 35 VAL CA C 35 66.440 66.440 67.419 -0.979 19869 4266 1 12 . 1 1 35 35 VAL CB C 35 31.149 31.149 30.979 0.170 19869 4267 1 12 . 1 1 35 35 VAL H H 35 8.414 8.414 7.982 0.432 19869 4268 1 12 . 1 1 36 36 ALA N N 36 121.368 121.368 121.468 -0.100 19869 4269 1 12 . 1 1 36 36 ALA HA H 36 3.794 3.794 4.094 -0.300 19869 4270 1 12 . 1 1 36 36 ALA CA C 36 55.555 55.555 55.153 0.402 19869 4271 1 12 . 1 1 36 36 ALA CB C 36 18.310 18.310 17.965 0.344 19869 4272 1 12 . 1 1 36 36 ALA H H 36 8.791 8.791 7.671 1.120 19869 4273 1 12 . 1 1 37 37 ALA N N 37 119.373 119.373 121.497 -2.124 19869 4274 1 12 . 1 1 37 37 ALA HA H 37 4.305 4.305 4.027 0.278 19869 4275 1 12 . 1 1 37 37 ALA CA C 37 54.825 54.825 54.905 -0.080 19869 4276 1 12 . 1 1 37 37 ALA CB C 37 18.020 18.020 18.405 -0.385 19869 4277 1 12 . 1 1 37 37 ALA H H 37 7.648 7.648 7.595 0.053 19869 4278 1 12 . 1 1 38 38 PHE N N 38 120.906 120.906 119.622 1.284 19869 4279 1 12 . 1 1 38 38 PHE HA H 38 4.449 4.449 4.178 0.271 19869 4280 1 12 . 1 1 38 38 PHE CA C 38 61.148 61.148 61.851 -0.703 19869 4281 1 12 . 1 1 38 38 PHE CB C 38 39.350 39.350 39.389 -0.039 19869 4282 1 12 . 1 1 38 38 PHE H H 38 7.923 7.923 8.038 -0.115 19869 4283 1 12 . 1 1 39 39 VAL N N 39 119.731 119.731 118.764 0.967 19869 4284 1 12 . 1 1 39 39 VAL HA H 39 3.219 3.219 3.577 -0.358 19869 4285 1 12 . 1 1 39 39 VAL CA C 39 67.520 67.520 67.040 0.480 19869 4286 1 12 . 1 1 39 39 VAL CB C 39 32.059 32.059 31.438 0.621 19869 4287 1 12 . 1 1 39 39 VAL H H 39 8.482 8.482 7.760 0.722 19869 4288 1 12 . 1 1 40 40 ASP N N 40 120.200 120.200 120.802 -0.602 19869 4289 1 12 . 1 1 40 40 ASP HA H 40 4.449 4.449 4.406 0.043 19869 4290 1 12 . 1 1 40 40 ASP CA C 40 58.600 58.600 58.287 0.313 19869 4291 1 12 . 1 1 40 40 ASP CB C 40 43.300 43.300 40.943 2.357 19869 4292 1 12 . 1 1 40 40 ASP H H 40 8.851 8.851 8.370 0.481 19869 4293 1 12 . 1 1 41 41 ASP N N 41 120.967 120.967 119.772 1.195 19869 4294 1 12 . 1 1 41 41 ASP HA H 41 4.532 4.532 4.437 0.095 19869 4295 1 12 . 1 1 41 41 ASP CA C 41 57.860 57.860 56.738 1.122 19869 4296 1 12 . 1 1 41 41 ASP CB C 41 40.560 40.560 40.985 -0.425 19869 4297 1 12 . 1 1 41 41 ASP H H 41 8.743 8.743 7.992 0.751 19869 4298 1 12 . 1 1 42 42 LYS N N 42 120.600 120.600 119.918 0.682 19869 4299 1 12 . 1 1 42 42 LYS HA H 42 3.967 3.967 4.207 -0.240 19869 4300 1 12 . 1 1 42 42 LYS CA C 42 57.880 57.880 59.080 -1.200 19869 4301 1 12 . 1 1 42 42 LYS CB C 42 31.440 31.440 32.262 -0.822 19869 4302 1 12 . 1 1 42 42 LYS H H 42 7.990 7.990 7.686 0.304 19869 4303 1 12 . 1 1 43 43 MET N N 43 119.600 119.600 118.005 1.595 19869 4304 1 12 . 1 1 43 43 MET HA H 43 3.957 3.957 4.186 -0.229 19869 4305 1 12 . 1 1 43 43 MET CA C 43 55.600 55.600 59.655 -4.055 19869 4306 1 12 . 1 1 43 43 MET CB C 43 33.950 33.950 32.529 1.421 19869 4307 1 12 . 1 1 43 43 MET H H 43 8.844 8.844 8.607 0.237 19869 4308 1 12 . 1 1 44 44 HIS N N 44 115.981 115.981 120.225 -4.244 19869 4309 1 12 . 1 1 44 44 HIS HA H 44 4.408 4.408 4.320 0.088 19869 4310 1 12 . 1 1 44 44 HIS CA C 44 61.250 61.250 60.741 0.509 19869 4311 1 12 . 1 1 44 44 HIS CB C 44 28.045 28.045 30.495 -2.450 19869 4312 1 12 . 1 1 44 44 HIS H H 44 8.296 8.296 7.965 0.331 19869 4313 1 12 . 1 1 45 45 GLU N N 45 122.501 122.501 117.749 4.752 19869 4314 1 12 . 1 1 45 45 GLU HA H 45 4.034 4.034 3.969 0.065 19869 4315 1 12 . 1 1 45 45 GLU CA C 45 59.580 59.580 58.423 1.157 19869 4316 1 12 . 1 1 45 45 GLU CB C 45 29.533 29.533 28.911 0.622 19869 4317 1 12 . 1 1 45 45 GLU H H 45 8.399 8.399 8.244 0.155 19869 4318 1 12 . 1 1 46 46 PHE N N 46 118.451 118.451 117.761 0.690 19869 4319 1 12 . 1 1 46 46 PHE HA H 46 4.183 4.183 4.587 -0.404 19869 4320 1 12 . 1 1 46 46 PHE CA C 46 61.689 61.689 59.915 1.774 19869 4321 1 12 . 1 1 46 46 PHE CB C 46 38.979 38.979 39.231 -0.252 19869 4322 1 12 . 1 1 46 46 PHE H H 46 8.320 8.320 7.699 0.621 19869 4323 1 12 . 1 1 47 47 SER N N 47 114.878 114.878 115.152 -0.274 19869 4324 1 12 . 1 1 47 47 SER HA H 47 4.111 4.111 4.188 -0.077 19869 4325 1 12 . 1 1 47 47 SER CA C 47 60.281 60.281 61.951 -1.670 19869 4326 1 12 . 1 1 47 47 SER CB C 47 63.321 63.321 62.774 0.547 19869 4327 1 12 . 1 1 47 47 SER H H 47 8.278 8.278 7.969 0.309 19869 4328 1 12 . 1 1 48 48 GLU N N 48 118.579 118.579 120.194 -1.615 19869 4329 1 12 . 1 1 48 48 GLU HA H 48 4.059 4.059 4.123 -0.064 19869 4330 1 12 . 1 1 48 48 GLU CA C 48 58.641 58.641 58.376 0.265 19869 4331 1 12 . 1 1 48 48 GLU CB C 48 29.720 29.720 29.168 0.552 19869 4332 1 12 . 1 1 48 48 GLU H H 48 7.651 7.651 8.205 -0.554 19869 4333 1 12 . 1 1 49 49 LYS N N 49 116.048 116.048 116.707 -0.659 19869 4334 1 12 . 1 1 49 49 LYS HA H 49 4.211 4.211 4.274 -0.063 19869 4335 1 12 . 1 1 49 49 LYS CA C 49 57.580 57.580 56.025 1.555 19869 4336 1 12 . 1 1 49 49 LYS CB C 49 33.450 33.450 32.832 0.618 19869 4337 1 12 . 1 1 49 49 LYS H H 49 7.281 7.281 7.404 -0.123 19869 4338 1 12 . 1 1 50 50 GLN N N 50 117.953 117.953 116.316 1.637 19869 4339 1 12 . 1 1 50 50 GLN HA H 50 4.249 4.249 4.102 0.147 19869 4340 1 12 . 1 1 50 50 GLN CA C 50 55.610 55.610 55.530 0.080 19869 4341 1 12 . 1 1 50 50 GLN CB C 50 30.050 30.050 27.024 3.026 19869 4342 1 12 . 1 1 50 50 GLN H H 50 7.930 7.930 7.588 0.342 19869 4343 1 12 . 1 1 51 51 PRO HA H 51 4.597 4.597 4.269 0.328 19869 4344 1 12 . 1 1 51 51 PRO CA C 51 63.600 63.600 64.927 -1.327 19869 4345 1 12 . 1 1 51 51 PRO CB C 51 32.522 32.522 32.019 0.503 19869 4346 1 12 . 1 1 52 52 MET N N 52 115.230 115.230 113.737 1.493 19869 4347 1 12 . 1 1 52 52 MET HA H 52 4.513 4.513 4.746 -0.233 19869 4348 1 12 . 1 1 52 52 MET CA C 52 55.505 55.505 54.195 1.310 19869 4349 1 12 . 1 1 52 52 MET CB C 52 30.920 30.920 33.360 -2.440 19869 4350 1 12 . 1 1 52 52 MET H H 52 8.558 8.558 8.147 0.411 19869 4351 1 12 . 1 1 53 53 LEU N N 53 120.540 120.540 120.266 0.274 19869 4352 1 12 . 1 1 53 53 LEU HA H 53 4.252 4.252 4.034 0.218 19869 4353 1 12 . 1 1 53 53 LEU CA C 53 55.690 55.690 55.211 0.479 19869 4354 1 12 . 1 1 53 53 LEU CB C 53 42.728 42.728 40.981 1.747 19869 4355 1 12 . 1 1 53 53 LEU H H 53 7.557 7.557 8.028 -0.471 19869 4356 1 12 . 1 1 54 54 ASP N N 54 121.294 121.294 118.572 2.722 19869 4357 1 12 . 1 1 54 54 ASP HA H 54 4.640 4.640 4.736 -0.096 19869 4358 1 12 . 1 1 54 54 ASP CA C 54 52.280 52.280 53.117 -0.837 19869 4359 1 12 . 1 1 54 54 ASP CB C 54 41.330 41.330 43.066 -1.736 19869 4360 1 12 . 1 1 54 54 ASP H H 54 7.941 7.941 7.816 0.125 19869 4361 1 12 . 1 1 55 55 VAL N N 55 118.701 118.701 123.869 -5.168 19869 4362 1 12 . 1 1 55 55 VAL HA H 55 4.277 4.277 3.981 0.296 19869 4363 1 12 . 1 1 55 55 VAL CA C 55 62.510 62.510 66.519 -4.009 19869 4364 1 12 . 1 1 55 55 VAL CB C 55 29.900 29.900 29.541 0.359 19869 4365 1 12 . 1 1 55 55 VAL H H 55 8.444 8.444 8.430 0.014 19869 4366 1 12 . 1 1 56 56 PRO HA H 56 3.981 3.981 4.172 -0.191 19869 4367 1 12 . 1 1 56 56 PRO CA C 56 66.840 66.840 65.864 0.976 19869 4368 1 12 . 1 1 56 56 PRO CB C 56 30.875 30.875 30.968 -0.093 19869 4369 1 12 . 1 1 57 57 LYS N N 57 114.335 114.335 116.900 -2.565 19869 4370 1 12 . 1 1 57 57 LYS HA H 57 4.213 4.213 4.195 0.018 19869 4371 1 12 . 1 1 57 57 LYS CA C 57 60.027 60.027 58.215 1.812 19869 4372 1 12 . 1 1 57 57 LYS CB C 57 33.700 33.700 31.509 2.191 19869 4373 1 12 . 1 1 57 57 LYS H H 57 7.224 7.224 8.514 -1.290 19869 4374 1 12 . 1 1 58 58 LEU N N 58 119.010 119.010 120.791 -1.781 19869 4375 1 12 . 1 1 58 58 LEU HA H 58 3.714 3.714 4.179 -0.465 19869 4376 1 12 . 1 1 58 58 LEU CA C 58 57.900 57.900 56.958 0.942 19869 4377 1 12 . 1 1 58 58 LEU CB C 58 42.966 42.966 41.166 1.800 19869 4378 1 12 . 1 1 58 58 LEU H H 58 8.369 8.369 7.688 0.681 19869 4379 1 12 . 1 1 59 59 ALA N N 59 122.559 122.559 122.458 0.101 19869 4380 1 12 . 1 1 59 59 ALA HA H 59 3.720 3.720 3.979 -0.259 19869 4381 1 12 . 1 1 59 59 ALA CA C 59 55.510 55.510 54.976 0.534 19869 4382 1 12 . 1 1 59 59 ALA CB C 59 19.020 19.020 18.624 0.396 19869 4383 1 12 . 1 1 59 59 ALA H H 59 8.686 8.686 8.155 0.531 19869 4384 1 12 . 1 1 60 60 VAL N N 60 118.664 118.664 115.470 3.194 19869 4385 1 12 . 1 1 60 60 VAL HA H 60 3.251 3.251 3.768 -0.517 19869 4386 1 12 . 1 1 60 60 VAL CA C 60 67.397 67.397 65.333 2.064 19869 4387 1 12 . 1 1 60 60 VAL CB C 60 31.340 31.340 31.299 0.041 19869 4388 1 12 . 1 1 60 60 VAL H H 60 7.777 7.777 7.679 0.098 19869 4389 1 12 . 1 1 61 61 LEU N N 61 118.415 118.415 121.119 -2.704 19869 4390 1 12 . 1 1 61 61 LEU HA H 61 3.553 3.553 3.956 -0.403 19869 4391 1 12 . 1 1 61 61 LEU CA C 61 58.150 58.150 58.317 -0.167 19869 4392 1 12 . 1 1 61 61 LEU CB C 61 40.340 40.340 41.523 -1.183 19869 4393 1 12 . 1 1 61 61 LEU H H 61 8.328 8.328 7.359 0.969 19869 4394 1 12 . 1 1 62 62 THR N N 62 117.416 117.416 114.047 3.369 19869 4395 1 12 . 1 1 62 62 THR HA H 62 4.130 4.130 3.793 0.337 19869 4396 1 12 . 1 1 62 62 THR CA C 62 67.220 67.220 65.975 1.245 19869 4397 1 12 . 1 1 62 62 THR CB C 62 68.364 68.364 67.922 0.442 19869 4398 1 12 . 1 1 62 62 THR H H 62 7.787 7.787 7.604 0.183 19869 4399 1 12 . 1 1 63 63 ALA N N 63 124.319 124.319 124.212 0.107 19869 4400 1 12 . 1 1 63 63 ALA HA H 63 3.746 3.746 4.081 -0.335 19869 4401 1 12 . 1 1 63 63 ALA CA C 63 56.243 56.243 55.067 1.176 19869 4402 1 12 . 1 1 63 63 ALA CB C 63 17.121 17.121 18.051 -0.930 19869 4403 1 12 . 1 1 63 63 ALA H H 63 8.175 8.175 7.504 0.671 19869 4404 1 12 . 1 1 64 64 VAL N N 64 116.756 116.756 118.139 -1.383 19869 4405 1 12 . 1 1 64 64 VAL HA H 64 3.324 3.324 3.600 -0.276 19869 4406 1 12 . 1 1 64 64 VAL CA C 64 66.543 66.543 65.579 0.964 19869 4407 1 12 . 1 1 64 64 VAL CB C 64 31.340 31.340 31.830 -0.490 19869 4408 1 12 . 1 1 64 64 VAL H H 64 8.422 8.422 7.836 0.586 19869 4409 1 12 . 1 1 65 65 GLN N N 65 120.091 120.091 119.977 0.114 19869 4410 1 12 . 1 1 65 65 GLN HA H 65 4.015 4.015 4.045 -0.030 19869 4411 1 12 . 1 1 65 65 GLN CA C 65 59.290 59.290 58.814 0.476 19869 4412 1 12 . 1 1 65 65 GLN CB C 65 28.450 28.450 28.799 -0.349 19869 4413 1 12 . 1 1 65 65 GLN H H 65 7.924 7.924 7.566 0.358 19869 4414 1 12 . 1 1 66 66 ILE N N 66 118.358 118.358 120.524 -2.166 19869 4415 1 12 . 1 1 66 66 ILE HA H 66 3.526 3.526 3.856 -0.330 19869 4416 1 12 . 1 1 66 66 ILE CA C 66 65.305 65.305 64.986 0.319 19869 4417 1 12 . 1 1 66 66 ILE H H 66 8.441 8.441 8.559 -0.118 19869 4418 1 12 . 1 1 67 67 ALA N N 67 121.518 121.518 121.939 -0.421 19869 4419 1 12 . 1 1 67 67 ALA HA H 67 4.025 4.025 4.037 -0.012 19869 4420 1 12 . 1 1 67 67 ALA CA C 67 55.501 55.501 55.629 -0.128 19869 4421 1 12 . 1 1 67 67 ALA CB C 67 19.668 19.668 18.244 1.423 19869 4422 1 12 . 1 1 67 67 ALA H H 67 8.947 8.947 7.729 1.218 19869 4423 1 12 . 1 1 68 68 SER N N 68 112.523 112.523 114.391 -1.868 19869 4424 1 12 . 1 1 68 68 SER HA H 68 4.174 4.174 4.114 0.060 19869 4425 1 12 . 1 1 68 68 SER CA C 68 61.429 61.429 61.731 -0.302 19869 4426 1 12 . 1 1 68 68 SER CB C 68 63.011 63.011 62.429 0.582 19869 4427 1 12 . 1 1 68 68 SER H H 68 8.492 8.492 8.048 0.444 19869 4428 1 12 . 1 1 69 69 GLU N N 69 117.397 117.397 121.621 -4.224 19869 4429 1 12 . 1 1 69 69 GLU HA H 69 3.998 3.998 4.058 -0.060 19869 4430 1 12 . 1 1 69 69 GLU CA C 69 59.181 59.181 58.987 0.194 19869 4431 1 12 . 1 1 69 69 GLU CB C 69 28.760 28.760 29.391 -0.631 19869 4432 1 12 . 1 1 69 69 GLU H H 69 7.579 7.579 8.075 -0.496 19869 4433 1 12 . 1 1 70 70 TYR N N 70 120.853 120.853 117.900 2.953 19869 4434 1 12 . 1 1 70 70 TYR HA H 70 4.352 4.352 4.503 -0.151 19869 4435 1 12 . 1 1 70 70 TYR CA C 70 60.530 60.530 60.637 -0.107 19869 4436 1 12 . 1 1 70 70 TYR CB C 70 38.480 38.480 39.088 -0.608 19869 4437 1 12 . 1 1 70 70 TYR H H 70 8.635 8.635 7.716 0.919 19869 4438 1 12 . 1 1 71 71 LEU N N 71 119.400 119.400 121.102 -1.702 19869 4439 1 12 . 1 1 71 71 LEU HA H 71 3.554 3.554 3.964 -0.410 19869 4440 1 12 . 1 1 71 71 LEU CA C 71 58.368 58.368 58.084 0.284 19869 4441 1 12 . 1 1 71 71 LEU CB C 71 40.564 40.564 42.002 -1.438 19869 4442 1 12 . 1 1 71 71 LEU H H 71 8.836 8.836 8.417 0.419 19869 4443 1 12 . 1 1 72 72 LYS N N 72 119.127 119.127 119.666 -0.539 19869 4444 1 12 . 1 1 72 72 LYS HA H 72 4.095 4.095 4.096 -0.001 19869 4445 1 12 . 1 1 72 72 LYS CA C 72 59.780 59.780 59.030 0.750 19869 4446 1 12 . 1 1 72 72 LYS CB C 72 32.640 32.640 31.662 0.978 19869 4447 1 12 . 1 1 72 72 LYS H H 72 7.957 7.957 7.916 0.041 19869 4448 1 12 . 1 1 73 73 LEU N N 73 122.487 122.487 121.698 0.789 19869 4449 1 12 . 1 1 73 73 LEU HA H 73 4.127 4.127 4.215 -0.088 19869 4450 1 12 . 1 1 73 73 LEU CA C 73 57.340 57.340 57.740 -0.400 19869 4451 1 12 . 1 1 73 73 LEU CB C 73 41.020 41.020 41.927 -0.907 19869 4452 1 12 . 1 1 73 73 LEU H H 73 8.033 8.033 7.656 0.377 19869 4453 1 12 . 1 1 74 74 LYS N N 74 120.309 120.309 118.644 1.665 19869 4454 1 12 . 1 1 74 74 LYS HA H 74 3.759 3.759 4.119 -0.359 19869 4455 1 12 . 1 1 74 74 LYS CA C 74 60.700 60.700 59.207 1.493 19869 4456 1 12 . 1 1 74 74 LYS CB C 74 32.140 32.140 31.665 0.475 19869 4457 1 12 . 1 1 74 74 LYS H H 74 8.750 8.750 7.904 0.846 19869 4458 1 12 . 1 1 75 75 GLU N N 75 118.296 118.296 121.246 -2.950 19869 4459 1 12 . 1 1 75 75 GLU HA H 75 4.098 4.098 4.077 0.021 19869 4460 1 12 . 1 1 75 75 GLU CA C 75 59.330 59.330 59.130 0.201 19869 4461 1 12 . 1 1 75 75 GLU CB C 75 29.500 29.500 29.261 0.239 19869 4462 1 12 . 1 1 75 75 GLU H H 75 7.274 7.274 7.979 -0.705 19869 4463 1 12 . 1 1 76 76 GLU N N 76 120.788 120.788 119.736 1.052 19869 4464 1 12 . 1 1 76 76 GLU HA H 76 4.152 4.152 4.084 0.068 19869 4465 1 12 . 1 1 76 76 GLU CA C 76 59.082 59.082 59.136 -0.054 19869 4466 1 12 . 1 1 76 76 GLU CB C 76 29.235 29.235 29.663 -0.428 19869 4467 1 12 . 1 1 76 76 GLU H H 76 7.756 7.756 7.655 0.101 19869 4468 1 12 . 1 1 77 77 TYR N N 77 121.399 121.399 120.541 0.858 19869 4469 1 12 . 1 1 77 77 TYR HA H 77 4.210 4.210 4.120 0.090 19869 4470 1 12 . 1 1 77 77 TYR CA C 77 61.704 61.704 60.457 1.247 19869 4471 1 12 . 1 1 77 77 TYR CB C 77 38.889 38.889 38.230 0.659 19869 4472 1 12 . 1 1 77 77 TYR H H 77 9.401 9.401 7.723 1.678 19869 4473 1 12 . 1 1 78 78 GLN N N 78 118.068 118.068 117.261 0.807 19869 4474 1 12 . 1 1 78 78 GLN HA H 78 3.784 3.784 3.821 -0.037 19869 4475 1 12 . 1 1 78 78 GLN CA C 78 58.915 58.915 58.580 0.335 19869 4476 1 12 . 1 1 78 78 GLN CB C 78 27.880 27.880 28.439 -0.559 19869 4477 1 12 . 1 1 78 78 GLN H H 78 8.169 8.169 7.946 0.223 19869 4478 1 12 . 1 1 79 79 ARG N N 79 118.446 118.446 120.482 -2.036 19869 4479 1 12 . 1 1 79 79 ARG HA H 79 4.045 4.045 4.148 -0.103 19869 4480 1 12 . 1 1 79 79 ARG CA C 79 59.310 59.310 57.971 1.339 19869 4481 1 12 . 1 1 79 79 ARG CB C 79 30.220 30.220 29.920 0.300 19869 4482 1 12 . 1 1 79 79 ARG H H 79 7.814 7.814 7.496 0.318 19869 4483 1 12 . 1 1 80 80 LEU N N 80 121.039 121.039 119.483 1.556 19869 4484 1 12 . 1 1 80 80 LEU HA H 80 4.130 4.130 4.202 -0.072 19869 4485 1 12 . 1 1 80 80 LEU CA C 80 57.689 57.689 57.751 -0.062 19869 4486 1 12 . 1 1 80 80 LEU CB C 80 41.670 41.670 42.106 -0.436 19869 4487 1 12 . 1 1 80 80 LEU H H 80 7.989 7.989 8.460 -0.471 19869 4488 1 12 . 1 1 81 81 ARG N N 81 117.498 117.498 118.640 -1.142 19869 4489 1 12 . 1 1 81 81 ARG HA H 81 3.717 3.717 3.992 -0.275 19869 4490 1 12 . 1 1 81 81 ARG CA C 81 59.030 59.030 59.203 -0.173 19869 4491 1 12 . 1 1 81 81 ARG CB C 81 29.500 29.500 29.948 -0.448 19869 4492 1 12 . 1 1 81 81 ARG H H 81 8.241 8.241 8.029 0.212 19869 4493 1 12 . 1 1 82 82 GLU N N 82 117.300 117.300 117.810 -0.510 19869 4494 1 12 . 1 1 82 82 GLU HA H 82 4.060 4.060 4.140 -0.080 19869 4495 1 12 . 1 1 82 82 GLU CA C 82 58.205 58.205 58.258 -0.053 19869 4496 1 12 . 1 1 82 82 GLU CB C 82 29.539 29.539 28.591 0.948 19869 4497 1 12 . 1 1 82 82 GLU H H 82 7.671 7.671 7.858 -0.187 19869 4498 1 12 . 1 1 83 83 GLN N N 83 117.205 117.205 119.705 -2.500 19869 4499 1 12 . 1 1 83 83 GLN HA H 83 4.192 4.192 4.160 0.032 19869 4500 1 12 . 1 1 83 83 GLN CA C 83 56.940 56.940 57.848 -0.908 19869 4501 1 12 . 1 1 83 83 GLN CB C 83 29.110 29.110 28.905 0.205 19869 4502 1 12 . 1 1 83 83 GLN H H 83 7.745 7.745 7.527 0.218 19869 4503 1 12 . 1 1 84 84 LEU N N 84 120.465 120.465 119.252 1.213 19869 4504 1 12 . 1 1 84 84 LEU HA H 84 4.301 4.301 4.356 -0.055 19869 4505 1 12 . 1 1 84 84 LEU CA C 84 55.180 55.180 54.689 0.491 19869 4506 1 12 . 1 1 84 84 LEU CB C 84 42.190 42.190 41.124 1.066 19869 4507 1 12 . 1 1 84 84 LEU H H 84 7.500 7.500 7.497 0.003 19869 4508 1 12 . 1 1 85 85 LYS N N 85 126.524 126.524 119.135 7.389 19869 4509 1 12 . 1 1 85 85 LYS HA H 85 4.063 4.063 4.548 -0.485 19869 4510 1 12 . 1 1 85 85 LYS CA C 85 57.499 57.499 55.131 2.368 19869 4511 1 12 . 1 1 85 85 LYS CB C 85 33.640 33.640 34.754 -1.114 19869 4512 1 12 . 1 1 85 85 LYS H H 85 7.525 7.525 7.472 0.053 19869 4513 1 13 . 1 1 8 8 PRO HA H 8 4.396 4.396 4.726 -0.330 19869 4514 1 13 . 1 1 8 8 PRO CA C 8 63.046 63.046 62.079 0.967 19869 4515 1 13 . 1 1 8 8 PRO CB C 8 32.151 32.151 32.724 -0.573 19869 4516 1 13 . 1 1 9 9 LYS N N 9 121.282 121.282 119.345 1.937 19869 4517 1 13 . 1 1 9 9 LYS HA H 9 4.373 4.373 4.169 0.204 19869 4518 1 13 . 1 1 9 9 LYS CA C 9 56.140 56.140 56.756 -0.616 19869 4519 1 13 . 1 1 9 9 LYS CB C 9 33.680 33.680 31.746 1.934 19869 4520 1 13 . 1 1 9 9 LYS H H 9 8.363 8.363 8.243 0.120 19869 4521 1 13 . 1 1 10 10 THR N N 10 117.787 117.787 118.165 -0.378 19869 4522 1 13 . 1 1 10 10 THR HA H 10 4.357 4.357 4.289 0.068 19869 4523 1 13 . 1 1 10 10 THR CA C 10 61.620 61.620 61.725 -0.105 19869 4524 1 13 . 1 1 10 10 THR CB C 10 70.393 70.393 69.544 0.849 19869 4525 1 13 . 1 1 10 10 THR H H 10 8.675 8.675 8.436 0.239 19869 4526 1 13 . 1 1 11 11 ARG N N 11 123.980 123.980 125.139 -1.159 19869 4527 1 13 . 1 1 11 11 ARG HA H 11 5.043 5.043 5.322 -0.279 19869 4528 1 13 . 1 1 11 11 ARG CA C 11 55.142 55.142 54.394 0.748 19869 4529 1 13 . 1 1 11 11 ARG CB C 11 32.130 32.130 33.216 -1.086 19869 4530 1 13 . 1 1 11 11 ARG H H 11 8.322 8.322 8.401 -0.079 19869 4531 1 13 . 1 1 12 12 VAL N N 12 124.311 124.311 121.335 2.976 19869 4532 1 13 . 1 1 12 12 VAL HA H 12 4.410 4.410 4.467 -0.057 19869 4533 1 13 . 1 1 12 12 VAL CA C 12 60.866 60.866 59.955 0.911 19869 4534 1 13 . 1 1 12 12 VAL CB C 12 35.447 35.447 36.280 -0.833 19869 4535 1 13 . 1 1 12 12 VAL H H 12 8.853 8.853 9.106 -0.253 19869 4536 1 13 . 1 1 13 13 SER N N 13 122.286 122.286 123.392 -1.106 19869 4537 1 13 . 1 1 13 13 SER HA H 13 5.435 5.435 5.262 0.173 19869 4538 1 13 . 1 1 13 13 SER CA C 13 57.199 57.199 58.269 -1.070 19869 4539 1 13 . 1 1 13 13 SER CB C 13 63.535 63.535 63.754 -0.219 19869 4540 1 13 . 1 1 13 13 SER H H 13 8.581 8.581 8.726 -0.145 19869 4541 1 13 . 1 1 14 14 VAL N N 14 119.340 119.340 120.258 -0.918 19869 4542 1 13 . 1 1 14 14 VAL HA H 14 4.491 4.491 4.608 -0.117 19869 4543 1 13 . 1 1 14 14 VAL CA C 14 56.271 56.271 59.476 -3.205 19869 4544 1 13 . 1 1 14 14 VAL CB C 14 35.709 35.709 35.129 0.580 19869 4545 1 13 . 1 1 14 14 VAL H H 14 9.154 9.154 9.092 0.062 19869 4546 1 13 . 1 1 15 15 ARG N N 15 123.689 123.689 125.785 -2.096 19869 4547 1 13 . 1 1 15 15 ARG HA H 15 5.333 5.333 4.882 0.451 19869 4548 1 13 . 1 1 15 15 ARG CA C 15 54.830 54.830 55.752 -0.922 19869 4549 1 13 . 1 1 15 15 ARG CB C 15 31.780 31.780 30.993 0.787 19869 4550 1 13 . 1 1 15 15 ARG H H 15 8.467 8.467 8.537 -0.070 19869 4551 1 13 . 1 1 16 16 ILE N N 16 125.117 125.117 125.970 -0.853 19869 4552 1 13 . 1 1 16 16 ILE HA H 16 4.189 4.189 4.542 -0.353 19869 4553 1 13 . 1 1 16 16 ILE CA C 16 61.240 61.240 60.763 0.477 19869 4554 1 13 . 1 1 16 16 ILE CB C 16 41.680 41.680 40.161 1.519 19869 4555 1 13 . 1 1 16 16 ILE H H 16 9.174 9.174 8.953 0.221 19869 4556 1 13 . 1 1 17 17 TYR N N 17 137.064 137.064 127.309 9.755 19869 4557 1 13 . 1 1 17 17 TYR HA H 17 3.836 3.836 4.131 -0.295 19869 4558 1 13 . 1 1 17 17 TYR CA C 17 59.876 59.876 59.915 -0.039 19869 4559 1 13 . 1 1 17 17 TYR CB C 17 39.379 39.379 37.597 1.782 19869 4560 1 13 . 1 1 17 17 TYR H H 17 10.623 10.623 10.109 0.514 19869 4561 1 13 . 1 1 18 18 GLY N N 18 102.991 102.991 104.617 -1.626 19869 4562 1 13 . 1 1 18 18 GLY CA C 18 45.674 45.674 44.992 0.682 19869 4563 1 13 . 1 1 18 18 GLY H H 18 8.604 8.604 8.642 -0.038 19869 4564 1 13 . 1 1 19 19 GLN N N 19 119.104 119.104 122.075 -2.971 19869 4565 1 13 . 1 1 19 19 GLN HA H 19 4.566 4.566 4.208 0.358 19869 4566 1 13 . 1 1 19 19 GLN CA C 19 53.719 53.719 55.347 -1.628 19869 4567 1 13 . 1 1 19 19 GLN CB C 19 32.230 32.230 29.311 2.919 19869 4568 1 13 . 1 1 19 19 GLN H H 19 7.724 7.724 8.133 -0.409 19869 4569 1 13 . 1 1 20 20 ASP N N 20 121.913 121.913 119.572 2.341 19869 4570 1 13 . 1 1 20 20 ASP HA H 20 5.340 5.340 5.083 0.257 19869 4571 1 13 . 1 1 20 20 ASP CA C 20 54.370 54.370 52.710 1.660 19869 4572 1 13 . 1 1 20 20 ASP CB C 20 42.600 42.600 42.795 -0.195 19869 4573 1 13 . 1 1 20 20 ASP H H 20 8.217 8.217 8.105 0.112 19869 4574 1 13 . 1 1 21 21 TYR N N 21 120.801 120.801 120.715 0.086 19869 4575 1 13 . 1 1 21 21 TYR HA H 21 4.538 4.538 4.772 -0.234 19869 4576 1 13 . 1 1 21 21 TYR CA C 21 57.640 57.640 56.329 1.311 19869 4577 1 13 . 1 1 21 21 TYR CB C 21 42.201 42.201 41.999 0.202 19869 4578 1 13 . 1 1 21 21 TYR H H 21 9.330 9.330 8.870 0.460 19869 4579 1 13 . 1 1 22 22 THR N N 22 118.813 118.813 118.950 -0.137 19869 4580 1 13 . 1 1 22 22 THR HA H 22 4.390 4.390 4.964 -0.574 19869 4581 1 13 . 1 1 22 22 THR CA C 22 63.230 63.230 61.838 1.392 19869 4582 1 13 . 1 1 22 22 THR CB C 22 69.380 69.380 67.931 1.449 19869 4583 1 13 . 1 1 22 22 THR H H 22 8.888 8.888 8.693 0.195 19869 4584 1 13 . 1 1 23 23 ILE N N 23 129.291 129.291 121.855 7.436 19869 4585 1 13 . 1 1 23 23 ILE HA H 23 4.268 4.268 4.821 -0.553 19869 4586 1 13 . 1 1 23 23 ILE CA C 23 59.121 59.121 59.008 0.113 19869 4587 1 13 . 1 1 23 23 ILE CB C 23 37.060 37.060 40.596 -3.536 19869 4588 1 13 . 1 1 23 23 ILE H H 23 9.212 9.212 8.821 0.391 19869 4589 1 13 . 1 1 24 24 VAL N N 24 127.112 127.112 120.277 6.835 19869 4590 1 13 . 1 1 24 24 VAL HA H 24 5.073 5.073 4.552 0.521 19869 4591 1 13 . 1 1 24 24 VAL CA C 24 60.246 60.246 62.773 -2.527 19869 4592 1 13 . 1 1 24 24 VAL CB C 24 33.415 33.415 31.826 1.589 19869 4593 1 13 . 1 1 24 24 VAL H H 24 8.345 8.345 8.397 -0.052 19869 4594 1 13 . 1 1 25 25 GLY N N 25 113.745 113.745 116.421 -2.676 19869 4595 1 13 . 1 1 25 25 GLY CA C 25 45.920 45.920 44.252 1.668 19869 4596 1 13 . 1 1 25 25 GLY H H 25 8.540 8.540 8.261 0.279 19869 4597 1 13 . 1 1 26 26 ALA N N 26 123.321 123.321 125.645 -2.324 19869 4598 1 13 . 1 1 26 26 ALA HA H 26 4.644 4.644 4.407 0.236 19869 4599 1 13 . 1 1 26 26 ALA CA C 26 51.639 51.639 52.834 -1.195 19869 4600 1 13 . 1 1 26 26 ALA CB C 26 19.725 19.725 18.955 0.770 19869 4601 1 13 . 1 1 26 26 ALA H H 26 8.593 8.593 8.440 0.153 19869 4602 1 13 . 1 1 27 27 GLU N N 27 118.135 118.135 117.736 0.399 19869 4603 1 13 . 1 1 27 27 GLU HA H 27 4.302 4.302 4.471 -0.169 19869 4604 1 13 . 1 1 27 27 GLU CA C 27 55.670 55.670 54.106 1.564 19869 4605 1 13 . 1 1 27 27 GLU CB C 27 30.724 30.724 31.313 -0.589 19869 4606 1 13 . 1 1 27 27 GLU H H 27 8.120 8.120 7.783 0.337 19869 4607 1 13 . 1 1 28 28 SER N N 28 115.651 115.651 115.818 -0.167 19869 4608 1 13 . 1 1 28 28 SER HA H 28 4.700 4.700 4.539 0.161 19869 4609 1 13 . 1 1 28 28 SER CA C 28 56.044 56.044 57.184 -1.140 19869 4610 1 13 . 1 1 28 28 SER H H 28 8.723 8.723 8.484 0.239 19869 4611 1 13 . 1 1 29 29 PRO HA H 29 4.111 4.111 4.207 -0.096 19869 4612 1 13 . 1 1 29 29 PRO CA C 29 65.792 65.792 65.740 0.052 19869 4613 1 13 . 1 1 29 29 PRO CB C 29 31.750 31.750 31.660 0.090 19869 4614 1 13 . 1 1 30 30 ALA N N 30 117.252 117.252 118.411 -1.159 19869 4615 1 13 . 1 1 30 30 ALA HA H 30 4.028 4.028 4.201 -0.173 19869 4616 1 13 . 1 1 30 30 ALA CA C 30 55.258 55.258 54.607 0.651 19869 4617 1 13 . 1 1 30 30 ALA CB C 30 18.240 18.240 17.990 0.250 19869 4618 1 13 . 1 1 30 30 ALA H H 30 7.994 7.994 8.412 -0.418 19869 4619 1 13 . 1 1 31 31 HIS N N 31 119.161 119.161 119.521 -0.360 19869 4620 1 13 . 1 1 31 31 HIS HA H 31 4.278 4.278 4.397 -0.119 19869 4621 1 13 . 1 1 31 31 HIS CA C 31 59.697 59.697 59.959 -0.262 19869 4622 1 13 . 1 1 31 31 HIS CB C 31 30.320 30.320 30.546 -0.226 19869 4623 1 13 . 1 1 31 31 HIS H H 31 7.902 7.902 7.484 0.418 19869 4624 1 13 . 1 1 32 32 ILE N N 32 118.000 118.000 115.189 2.811 19869 4625 1 13 . 1 1 32 32 ILE HA H 32 3.478 3.478 4.053 -0.575 19869 4626 1 13 . 1 1 32 32 ILE CA C 32 63.480 63.480 63.830 -0.350 19869 4627 1 13 . 1 1 32 32 ILE CB C 32 36.290 36.290 37.490 -1.200 19869 4628 1 13 . 1 1 32 32 ILE H H 32 8.092 8.092 8.464 -0.372 19869 4629 1 13 . 1 1 33 33 ARG N N 33 118.612 118.612 120.557 -1.945 19869 4630 1 13 . 1 1 33 33 ARG HA H 33 3.911 3.911 4.184 -0.273 19869 4631 1 13 . 1 1 33 33 ARG CA C 33 60.741 60.741 58.639 2.102 19869 4632 1 13 . 1 1 33 33 ARG CB C 33 29.839 29.839 29.986 -0.147 19869 4633 1 13 . 1 1 33 33 ARG H H 33 8.436 8.436 7.580 0.857 19869 4634 1 13 . 1 1 34 34 LEU N N 34 122.935 122.935 118.537 4.398 19869 4635 1 13 . 1 1 34 34 LEU HA H 34 4.154 4.154 4.262 -0.108 19869 4636 1 13 . 1 1 34 34 LEU CA C 34 57.400 57.400 57.878 -0.478 19869 4637 1 13 . 1 1 34 34 LEU CB C 34 41.998 41.998 41.195 0.803 19869 4638 1 13 . 1 1 34 34 LEU H H 34 7.565 7.565 7.553 0.012 19869 4639 1 13 . 1 1 35 35 VAL N N 35 121.579 121.579 120.021 1.558 19869 4640 1 13 . 1 1 35 35 VAL HA H 35 3.333 3.333 3.488 -0.155 19869 4641 1 13 . 1 1 35 35 VAL CA C 35 66.440 66.440 66.825 -0.385 19869 4642 1 13 . 1 1 35 35 VAL CB C 35 31.149 31.149 31.336 -0.187 19869 4643 1 13 . 1 1 35 35 VAL H H 35 8.414 8.414 7.474 0.940 19869 4644 1 13 . 1 1 36 36 ALA N N 36 121.368 121.368 121.265 0.103 19869 4645 1 13 . 1 1 36 36 ALA HA H 36 3.794 3.794 4.140 -0.346 19869 4646 1 13 . 1 1 36 36 ALA CA C 36 55.555 55.555 55.013 0.542 19869 4647 1 13 . 1 1 36 36 ALA CB C 36 18.310 18.310 18.103 0.207 19869 4648 1 13 . 1 1 36 36 ALA H H 36 8.791 8.791 7.637 1.154 19869 4649 1 13 . 1 1 37 37 ALA N N 37 119.373 119.373 121.579 -2.206 19869 4650 1 13 . 1 1 37 37 ALA HA H 37 4.305 4.305 4.060 0.245 19869 4651 1 13 . 1 1 37 37 ALA CA C 37 54.825 54.825 54.812 0.013 19869 4652 1 13 . 1 1 37 37 ALA CB C 37 18.020 18.020 18.483 -0.463 19869 4653 1 13 . 1 1 37 37 ALA H H 37 7.648 7.648 7.610 0.038 19869 4654 1 13 . 1 1 38 38 PHE N N 38 120.906 120.906 119.567 1.339 19869 4655 1 13 . 1 1 38 38 PHE HA H 38 4.449 4.449 4.228 0.221 19869 4656 1 13 . 1 1 38 38 PHE CA C 38 61.148 61.148 61.864 -0.716 19869 4657 1 13 . 1 1 38 38 PHE CB C 38 39.350 39.350 39.692 -0.342 19869 4658 1 13 . 1 1 38 38 PHE H H 38 7.923 7.923 8.169 -0.246 19869 4659 1 13 . 1 1 39 39 VAL N N 39 119.731 119.731 119.193 0.538 19869 4660 1 13 . 1 1 39 39 VAL HA H 39 3.219 3.219 3.777 -0.558 19869 4661 1 13 . 1 1 39 39 VAL CA C 39 67.520 67.520 66.612 0.908 19869 4662 1 13 . 1 1 39 39 VAL CB C 39 32.059 32.059 31.006 1.053 19869 4663 1 13 . 1 1 39 39 VAL H H 39 8.482 8.482 7.687 0.795 19869 4664 1 13 . 1 1 40 40 ASP N N 40 120.200 120.200 120.051 0.149 19869 4665 1 13 . 1 1 40 40 ASP HA H 40 4.449 4.449 4.446 0.003 19869 4666 1 13 . 1 1 40 40 ASP CA C 40 58.600 58.600 57.900 0.700 19869 4667 1 13 . 1 1 40 40 ASP CB C 40 43.300 43.300 40.946 2.354 19869 4668 1 13 . 1 1 40 40 ASP H H 40 8.851 8.851 8.318 0.533 19869 4669 1 13 . 1 1 41 41 ASP N N 41 120.967 120.967 118.724 2.243 19869 4670 1 13 . 1 1 41 41 ASP HA H 41 4.532 4.532 4.411 0.121 19869 4671 1 13 . 1 1 41 41 ASP CA C 41 57.860 57.860 56.582 1.278 19869 4672 1 13 . 1 1 41 41 ASP CB C 41 40.560 40.560 41.152 -0.592 19869 4673 1 13 . 1 1 41 41 ASP H H 41 8.743 8.743 7.790 0.953 19869 4674 1 13 . 1 1 42 42 LYS N N 42 120.600 120.600 118.788 1.812 19869 4675 1 13 . 1 1 42 42 LYS HA H 42 3.967 3.967 4.128 -0.161 19869 4676 1 13 . 1 1 42 42 LYS CA C 42 57.880 57.880 58.797 -0.917 19869 4677 1 13 . 1 1 42 42 LYS CB C 42 31.440 31.440 32.852 -1.412 19869 4678 1 13 . 1 1 42 42 LYS H H 42 7.990 7.990 7.588 0.402 19869 4679 1 13 . 1 1 43 43 MET N N 43 119.600 119.600 115.045 4.555 19869 4680 1 13 . 1 1 43 43 MET HA H 43 3.957 3.957 4.585 -0.628 19869 4681 1 13 . 1 1 43 43 MET CA C 43 55.600 55.600 58.206 -2.606 19869 4682 1 13 . 1 1 43 43 MET CB C 43 33.950 33.950 32.409 1.541 19869 4683 1 13 . 1 1 43 43 MET H H 43 8.844 8.844 8.551 0.293 19869 4684 1 13 . 1 1 44 44 HIS N N 44 115.981 115.981 119.044 -3.063 19869 4685 1 13 . 1 1 44 44 HIS HA H 44 4.408 4.408 4.662 -0.254 19869 4686 1 13 . 1 1 44 44 HIS CA C 44 61.250 61.250 58.669 2.581 19869 4687 1 13 . 1 1 44 44 HIS CB C 44 28.045 28.045 30.537 -2.492 19869 4688 1 13 . 1 1 44 44 HIS H H 44 8.296 8.296 7.597 0.699 19869 4689 1 13 . 1 1 45 45 GLU N N 45 122.501 122.501 118.950 3.551 19869 4690 1 13 . 1 1 45 45 GLU HA H 45 4.034 4.034 4.302 -0.268 19869 4691 1 13 . 1 1 45 45 GLU CA C 45 59.580 59.580 57.505 2.075 19869 4692 1 13 . 1 1 45 45 GLU CB C 45 29.533 29.533 29.615 -0.082 19869 4693 1 13 . 1 1 45 45 GLU H H 45 8.399 8.399 7.813 0.586 19869 4694 1 13 . 1 1 46 46 PHE N N 46 118.451 118.451 118.764 -0.313 19869 4695 1 13 . 1 1 46 46 PHE HA H 46 4.183 4.183 4.723 -0.540 19869 4696 1 13 . 1 1 46 46 PHE CA C 46 61.689 61.689 59.344 2.345 19869 4697 1 13 . 1 1 46 46 PHE CB C 46 38.979 38.979 40.046 -1.067 19869 4698 1 13 . 1 1 46 46 PHE H H 46 8.320 8.320 7.637 0.683 19869 4699 1 13 . 1 1 47 47 SER N N 47 114.878 114.878 116.341 -1.463 19869 4700 1 13 . 1 1 47 47 SER HA H 47 4.111 4.111 4.244 -0.133 19869 4701 1 13 . 1 1 47 47 SER CA C 47 60.281 60.281 61.108 -0.827 19869 4702 1 13 . 1 1 47 47 SER CB C 47 63.321 63.321 62.675 0.646 19869 4703 1 13 . 1 1 47 47 SER H H 47 8.278 8.278 8.094 0.184 19869 4704 1 13 . 1 1 48 48 GLU N N 48 118.579 118.579 118.620 -0.041 19869 4705 1 13 . 1 1 48 48 GLU HA H 48 4.059 4.059 4.306 -0.247 19869 4706 1 13 . 1 1 48 48 GLU CA C 48 58.641 58.641 56.948 1.693 19869 4707 1 13 . 1 1 48 48 GLU CB C 48 29.720 29.720 29.472 0.248 19869 4708 1 13 . 1 1 48 48 GLU H H 48 7.651 7.651 8.112 -0.461 19869 4709 1 13 . 1 1 49 49 LYS N N 49 116.048 116.048 119.357 -3.309 19869 4710 1 13 . 1 1 49 49 LYS HA H 49 4.211 4.211 4.257 -0.046 19869 4711 1 13 . 1 1 49 49 LYS CA C 49 57.580 57.580 56.439 1.141 19869 4712 1 13 . 1 1 49 49 LYS CB C 49 33.450 33.450 33.091 0.359 19869 4713 1 13 . 1 1 49 49 LYS H H 49 7.281 7.281 7.651 -0.370 19869 4714 1 13 . 1 1 50 50 GLN N N 50 117.953 117.953 116.672 1.281 19869 4715 1 13 . 1 1 50 50 GLN HA H 50 4.249 4.249 4.122 0.127 19869 4716 1 13 . 1 1 50 50 GLN CA C 50 55.610 55.610 55.463 0.147 19869 4717 1 13 . 1 1 50 50 GLN CB C 50 30.050 30.050 27.596 2.454 19869 4718 1 13 . 1 1 50 50 GLN H H 50 7.930 7.930 7.793 0.137 19869 4719 1 13 . 1 1 51 51 PRO HA H 51 4.597 4.597 4.314 0.283 19869 4720 1 13 . 1 1 51 51 PRO CA C 51 63.600 63.600 64.634 -1.034 19869 4721 1 13 . 1 1 51 51 PRO CB C 51 32.522 32.522 32.105 0.417 19869 4722 1 13 . 1 1 52 52 MET N N 52 115.230 115.230 114.552 0.678 19869 4723 1 13 . 1 1 52 52 MET HA H 52 4.513 4.513 4.615 -0.102 19869 4724 1 13 . 1 1 52 52 MET CA C 52 55.505 55.505 54.878 0.627 19869 4725 1 13 . 1 1 52 52 MET CB C 52 30.920 30.920 33.833 -2.913 19869 4726 1 13 . 1 1 52 52 MET H H 52 8.558 8.558 7.672 0.886 19869 4727 1 13 . 1 1 53 53 LEU N N 53 120.540 120.540 121.354 -0.814 19869 4728 1 13 . 1 1 53 53 LEU HA H 53 4.252 4.252 3.941 0.311 19869 4729 1 13 . 1 1 53 53 LEU CA C 53 55.690 55.690 55.370 0.320 19869 4730 1 13 . 1 1 53 53 LEU CB C 53 42.728 42.728 39.959 2.769 19869 4731 1 13 . 1 1 53 53 LEU H H 53 7.557 7.557 8.045 -0.488 19869 4732 1 13 . 1 1 54 54 ASP N N 54 121.294 121.294 120.218 1.076 19869 4733 1 13 . 1 1 54 54 ASP HA H 54 4.640 4.640 4.709 -0.069 19869 4734 1 13 . 1 1 54 54 ASP CA C 54 52.280 52.280 53.769 -1.489 19869 4735 1 13 . 1 1 54 54 ASP CB C 54 41.330 41.330 41.983 -0.653 19869 4736 1 13 . 1 1 54 54 ASP H H 54 7.941 7.941 7.945 -0.004 19869 4737 1 13 . 1 1 55 55 VAL N N 55 118.701 118.701 116.941 1.760 19869 4738 1 13 . 1 1 55 55 VAL HA H 55 4.277 4.277 4.281 -0.004 19869 4739 1 13 . 1 1 55 55 VAL CA C 55 62.510 62.510 62.760 -0.250 19869 4740 1 13 . 1 1 55 55 VAL CB C 55 29.900 29.900 30.950 -1.050 19869 4741 1 13 . 1 1 55 55 VAL H H 55 8.444 8.444 7.828 0.616 19869 4742 1 13 . 1 1 56 56 PRO HA H 56 3.981 3.981 4.385 -0.404 19869 4743 1 13 . 1 1 56 56 PRO CA C 56 66.840 66.840 64.968 1.873 19869 4744 1 13 . 1 1 56 56 PRO CB C 56 30.875 30.875 31.223 -0.348 19869 4745 1 13 . 1 1 57 57 LYS N N 57 114.335 114.335 118.161 -3.826 19869 4746 1 13 . 1 1 57 57 LYS HA H 57 4.213 4.213 4.074 0.139 19869 4747 1 13 . 1 1 57 57 LYS CA C 57 60.027 60.027 58.964 1.063 19869 4748 1 13 . 1 1 57 57 LYS CB C 57 33.700 33.700 31.392 2.308 19869 4749 1 13 . 1 1 57 57 LYS H H 57 7.224 7.224 8.358 -1.134 19869 4750 1 13 . 1 1 58 58 LEU N N 58 119.010 119.010 118.923 0.087 19869 4751 1 13 . 1 1 58 58 LEU HA H 58 3.714 3.714 4.196 -0.482 19869 4752 1 13 . 1 1 58 58 LEU CA C 58 57.900 57.900 56.886 1.014 19869 4753 1 13 . 1 1 58 58 LEU CB C 58 42.966 42.966 41.300 1.666 19869 4754 1 13 . 1 1 58 58 LEU H H 58 8.369 8.369 7.695 0.674 19869 4755 1 13 . 1 1 59 59 ALA N N 59 122.559 122.559 122.122 0.437 19869 4756 1 13 . 1 1 59 59 ALA HA H 59 3.720 3.720 4.172 -0.452 19869 4757 1 13 . 1 1 59 59 ALA CA C 59 55.510 55.510 54.500 1.010 19869 4758 1 13 . 1 1 59 59 ALA CB C 59 19.020 19.020 18.814 0.207 19869 4759 1 13 . 1 1 59 59 ALA H H 59 8.686 8.686 7.554 1.132 19869 4760 1 13 . 1 1 60 60 VAL N N 60 118.664 118.664 115.990 2.674 19869 4761 1 13 . 1 1 60 60 VAL HA H 60 3.251 3.251 3.712 -0.461 19869 4762 1 13 . 1 1 60 60 VAL CA C 60 67.397 67.397 65.644 1.753 19869 4763 1 13 . 1 1 60 60 VAL CB C 60 31.340 31.340 31.249 0.091 19869 4764 1 13 . 1 1 60 60 VAL H H 60 7.777 7.777 8.343 -0.566 19869 4765 1 13 . 1 1 61 61 LEU N N 61 118.415 118.415 120.338 -1.923 19869 4766 1 13 . 1 1 61 61 LEU HA H 61 3.553 3.553 3.970 -0.417 19869 4767 1 13 . 1 1 61 61 LEU CA C 61 58.150 58.150 58.056 0.094 19869 4768 1 13 . 1 1 61 61 LEU CB C 61 40.340 40.340 41.301 -0.961 19869 4769 1 13 . 1 1 61 61 LEU H H 61 8.328 8.328 7.507 0.821 19869 4770 1 13 . 1 1 62 62 THR N N 62 117.416 117.416 113.445 3.971 19869 4771 1 13 . 1 1 62 62 THR HA H 62 4.130 4.130 3.778 0.352 19869 4772 1 13 . 1 1 62 62 THR CA C 62 67.220 67.220 65.181 2.039 19869 4773 1 13 . 1 1 62 62 THR CB C 62 68.364 68.364 67.714 0.650 19869 4774 1 13 . 1 1 62 62 THR H H 62 7.787 7.787 7.458 0.329 19869 4775 1 13 . 1 1 63 63 ALA N N 63 124.319 124.319 124.403 -0.084 19869 4776 1 13 . 1 1 63 63 ALA HA H 63 3.746 3.746 4.069 -0.323 19869 4777 1 13 . 1 1 63 63 ALA CA C 63 56.243 56.243 55.164 1.079 19869 4778 1 13 . 1 1 63 63 ALA CB C 63 17.121 17.121 17.935 -0.814 19869 4779 1 13 . 1 1 63 63 ALA H H 63 8.175 8.175 7.905 0.270 19869 4780 1 13 . 1 1 64 64 VAL N N 64 116.756 116.756 118.217 -1.461 19869 4781 1 13 . 1 1 64 64 VAL HA H 64 3.324 3.324 3.684 -0.360 19869 4782 1 13 . 1 1 64 64 VAL CA C 64 66.543 66.543 65.251 1.292 19869 4783 1 13 . 1 1 64 64 VAL CB C 64 31.340 31.340 31.766 -0.426 19869 4784 1 13 . 1 1 64 64 VAL H H 64 8.422 8.422 7.428 0.994 19869 4785 1 13 . 1 1 65 65 GLN N N 65 120.091 120.091 120.527 -0.436 19869 4786 1 13 . 1 1 65 65 GLN HA H 65 4.015 4.015 4.150 -0.135 19869 4787 1 13 . 1 1 65 65 GLN CA C 65 59.290 59.290 58.746 0.544 19869 4788 1 13 . 1 1 65 65 GLN CB C 65 28.450 28.450 28.735 -0.285 19869 4789 1 13 . 1 1 65 65 GLN H H 65 7.924 7.924 7.748 0.176 19869 4790 1 13 . 1 1 66 66 ILE N N 66 118.358 118.358 120.191 -1.833 19869 4791 1 13 . 1 1 66 66 ILE HA H 66 3.526 3.526 3.890 -0.364 19869 4792 1 13 . 1 1 66 66 ILE CA C 66 65.305 65.305 65.106 0.199 19869 4793 1 13 . 1 1 66 66 ILE H H 66 8.441 8.441 8.707 -0.266 19869 4794 1 13 . 1 1 67 67 ALA N N 67 121.518 121.518 121.602 -0.084 19869 4795 1 13 . 1 1 67 67 ALA HA H 67 4.025 4.025 4.029 -0.004 19869 4796 1 13 . 1 1 67 67 ALA CA C 67 55.501 55.501 55.560 -0.059 19869 4797 1 13 . 1 1 67 67 ALA CB C 67 19.668 19.668 18.330 1.338 19869 4798 1 13 . 1 1 67 67 ALA H H 67 8.947 8.947 7.673 1.274 19869 4799 1 13 . 1 1 68 68 SER N N 68 112.523 112.523 114.144 -1.621 19869 4800 1 13 . 1 1 68 68 SER HA H 68 4.174 4.174 4.125 0.049 19869 4801 1 13 . 1 1 68 68 SER CA C 68 61.429 61.429 61.623 -0.194 19869 4802 1 13 . 1 1 68 68 SER CB C 68 63.011 63.011 62.354 0.657 19869 4803 1 13 . 1 1 68 68 SER H H 68 8.492 8.492 8.193 0.299 19869 4804 1 13 . 1 1 69 69 GLU N N 69 117.397 117.397 120.171 -2.774 19869 4805 1 13 . 1 1 69 69 GLU HA H 69 3.998 3.998 4.102 -0.104 19869 4806 1 13 . 1 1 69 69 GLU CA C 69 59.181 59.181 58.458 0.723 19869 4807 1 13 . 1 1 69 69 GLU CB C 69 28.760 28.760 29.674 -0.914 19869 4808 1 13 . 1 1 69 69 GLU H H 69 7.579 7.579 7.992 -0.413 19869 4809 1 13 . 1 1 70 70 TYR N N 70 120.853 120.853 116.027 4.826 19869 4810 1 13 . 1 1 70 70 TYR HA H 70 4.352 4.352 4.476 -0.124 19869 4811 1 13 . 1 1 70 70 TYR CA C 70 60.530 60.530 59.778 0.752 19869 4812 1 13 . 1 1 70 70 TYR CB C 70 38.480 38.480 39.627 -1.147 19869 4813 1 13 . 1 1 70 70 TYR H H 70 8.635 8.635 7.674 0.961 19869 4814 1 13 . 1 1 71 71 LEU N N 71 119.400 119.400 121.330 -1.930 19869 4815 1 13 . 1 1 71 71 LEU HA H 71 3.554 3.554 3.998 -0.444 19869 4816 1 13 . 1 1 71 71 LEU CA C 71 58.368 58.368 57.843 0.525 19869 4817 1 13 . 1 1 71 71 LEU CB C 71 40.564 40.564 41.374 -0.811 19869 4818 1 13 . 1 1 71 71 LEU H H 71 8.836 8.836 8.194 0.642 19869 4819 1 13 . 1 1 72 72 LYS N N 72 119.127 119.127 118.018 1.109 19869 4820 1 13 . 1 1 72 72 LYS HA H 72 4.095 4.095 4.057 0.038 19869 4821 1 13 . 1 1 72 72 LYS CA C 72 59.780 59.780 58.760 1.020 19869 4822 1 13 . 1 1 72 72 LYS CB C 72 32.640 32.640 31.429 1.211 19869 4823 1 13 . 1 1 72 72 LYS H H 72 7.957 7.957 7.632 0.325 19869 4824 1 13 . 1 1 73 73 LEU N N 73 122.487 122.487 121.304 1.183 19869 4825 1 13 . 1 1 73 73 LEU HA H 73 4.127 4.127 4.562 -0.435 19869 4826 1 13 . 1 1 73 73 LEU CA C 73 57.340 57.340 58.158 -0.818 19869 4827 1 13 . 1 1 73 73 LEU CB C 73 41.020 41.020 41.577 -0.557 19869 4828 1 13 . 1 1 73 73 LEU H H 73 8.033 8.033 7.765 0.268 19869 4829 1 13 . 1 1 74 74 LYS N N 74 120.309 120.309 117.913 2.396 19869 4830 1 13 . 1 1 74 74 LYS HA H 74 3.759 3.759 4.217 -0.458 19869 4831 1 13 . 1 1 74 74 LYS CA C 74 60.700 60.700 59.197 1.503 19869 4832 1 13 . 1 1 74 74 LYS CB C 74 32.140 32.140 31.857 0.283 19869 4833 1 13 . 1 1 74 74 LYS H H 74 8.750 8.750 7.666 1.084 19869 4834 1 13 . 1 1 75 75 GLU N N 75 118.296 118.296 121.120 -2.824 19869 4835 1 13 . 1 1 75 75 GLU HA H 75 4.098 4.098 4.079 0.019 19869 4836 1 13 . 1 1 75 75 GLU CA C 75 59.330 59.330 59.192 0.138 19869 4837 1 13 . 1 1 75 75 GLU CB C 75 29.500 29.500 29.420 0.080 19869 4838 1 13 . 1 1 75 75 GLU H H 75 7.274 7.274 7.781 -0.507 19869 4839 1 13 . 1 1 76 76 GLU N N 76 120.788 120.788 119.455 1.333 19869 4840 1 13 . 1 1 76 76 GLU HA H 76 4.152 4.152 4.028 0.124 19869 4841 1 13 . 1 1 76 76 GLU CA C 76 59.082 59.082 58.864 0.218 19869 4842 1 13 . 1 1 76 76 GLU CB C 76 29.235 29.235 29.291 -0.056 19869 4843 1 13 . 1 1 76 76 GLU H H 76 7.756 7.756 8.229 -0.473 19869 4844 1 13 . 1 1 77 77 TYR N N 77 121.399 121.399 122.761 -1.362 19869 4845 1 13 . 1 1 77 77 TYR HA H 77 4.210 4.210 4.090 0.120 19869 4846 1 13 . 1 1 77 77 TYR CA C 77 61.704 61.704 60.232 1.472 19869 4847 1 13 . 1 1 77 77 TYR CB C 77 38.889 38.889 38.134 0.755 19869 4848 1 13 . 1 1 77 77 TYR H H 77 9.401 9.401 7.954 1.447 19869 4849 1 13 . 1 1 78 78 GLN N N 78 118.068 118.068 118.183 -0.115 19869 4850 1 13 . 1 1 78 78 GLN HA H 78 3.784 3.784 3.614 0.170 19869 4851 1 13 . 1 1 78 78 GLN CA C 78 58.915 58.915 59.156 -0.241 19869 4852 1 13 . 1 1 78 78 GLN CB C 78 27.880 27.880 28.352 -0.472 19869 4853 1 13 . 1 1 78 78 GLN H H 78 8.169 8.169 8.018 0.151 19869 4854 1 13 . 1 1 79 79 ARG N N 79 118.446 118.446 119.308 -0.862 19869 4855 1 13 . 1 1 79 79 ARG HA H 79 4.045 4.045 4.055 -0.010 19869 4856 1 13 . 1 1 79 79 ARG CA C 79 59.310 59.310 59.225 0.085 19869 4857 1 13 . 1 1 79 79 ARG CB C 79 30.220 30.220 30.198 0.022 19869 4858 1 13 . 1 1 79 79 ARG H H 79 7.814 7.814 7.636 0.178 19869 4859 1 13 . 1 1 80 80 LEU N N 80 121.039 121.039 121.030 0.009 19869 4860 1 13 . 1 1 80 80 LEU HA H 80 4.130 4.130 4.157 -0.027 19869 4861 1 13 . 1 1 80 80 LEU CA C 80 57.689 57.689 57.912 -0.223 19869 4862 1 13 . 1 1 80 80 LEU CB C 80 41.670 41.670 42.026 -0.356 19869 4863 1 13 . 1 1 80 80 LEU H H 80 7.989 7.989 8.194 -0.205 19869 4864 1 13 . 1 1 81 81 ARG N N 81 117.498 117.498 118.488 -0.990 19869 4865 1 13 . 1 1 81 81 ARG HA H 81 3.717 3.717 3.890 -0.173 19869 4866 1 13 . 1 1 81 81 ARG CA C 81 59.030 59.030 59.770 -0.740 19869 4867 1 13 . 1 1 81 81 ARG CB C 81 29.500 29.500 29.982 -0.482 19869 4868 1 13 . 1 1 81 81 ARG H H 81 8.241 8.241 7.802 0.439 19869 4869 1 13 . 1 1 82 82 GLU N N 82 117.300 117.300 117.600 -0.300 19869 4870 1 13 . 1 1 82 82 GLU HA H 82 4.060 4.060 4.037 0.023 19869 4871 1 13 . 1 1 82 82 GLU CA C 82 58.205 58.205 58.523 -0.318 19869 4872 1 13 . 1 1 82 82 GLU CB C 82 29.539 29.539 28.846 0.693 19869 4873 1 13 . 1 1 82 82 GLU H H 82 7.671 7.671 7.779 -0.108 19869 4874 1 13 . 1 1 83 83 GLN N N 83 117.205 117.205 120.002 -2.797 19869 4875 1 13 . 1 1 83 83 GLN HA H 83 4.192 4.192 4.103 0.089 19869 4876 1 13 . 1 1 83 83 GLN CA C 83 56.940 56.940 58.392 -1.452 19869 4877 1 13 . 1 1 83 83 GLN CB C 83 29.110 29.110 28.657 0.453 19869 4878 1 13 . 1 1 83 83 GLN H H 83 7.745 7.745 7.724 0.021 19869 4879 1 13 . 1 1 84 84 LEU N N 84 120.465 120.465 119.585 0.880 19869 4880 1 13 . 1 1 84 84 LEU HA H 84 4.301 4.301 4.267 0.034 19869 4881 1 13 . 1 1 84 84 LEU CA C 84 55.180 55.180 57.120 -1.940 19869 4882 1 13 . 1 1 84 84 LEU CB C 84 42.190 42.190 42.193 -0.003 19869 4883 1 13 . 1 1 84 84 LEU H H 84 7.500 7.500 7.598 -0.098 19869 4884 1 13 . 1 1 85 85 LYS N N 85 126.524 126.524 117.266 9.258 19869 4885 1 13 . 1 1 85 85 LYS HA H 85 4.063 4.063 4.213 -0.150 19869 4886 1 13 . 1 1 85 85 LYS CA C 85 57.499 57.499 56.704 0.795 19869 4887 1 13 . 1 1 85 85 LYS CB C 85 33.640 33.640 33.050 0.590 19869 4888 1 13 . 1 1 85 85 LYS H H 85 7.525 7.525 7.606 -0.081 19869 4889 1 14 . 1 1 8 8 PRO HA H 8 4.396 4.396 4.633 -0.237 19869 4890 1 14 . 1 1 8 8 PRO CA C 8 63.046 63.046 62.203 0.843 19869 4891 1 14 . 1 1 8 8 PRO CB C 8 32.151 32.151 32.626 -0.475 19869 4892 1 14 . 1 1 9 9 LYS N N 9 121.282 121.282 120.507 0.775 19869 4893 1 14 . 1 1 9 9 LYS HA H 9 4.373 4.373 4.199 0.174 19869 4894 1 14 . 1 1 9 9 LYS CA C 9 56.140 56.140 57.089 -0.949 19869 4895 1 14 . 1 1 9 9 LYS CB C 9 33.680 33.680 31.900 1.780 19869 4896 1 14 . 1 1 9 9 LYS H H 9 8.363 8.363 8.346 0.017 19869 4897 1 14 . 1 1 10 10 THR N N 10 117.787 117.787 118.243 -0.456 19869 4898 1 14 . 1 1 10 10 THR HA H 10 4.357 4.357 4.480 -0.123 19869 4899 1 14 . 1 1 10 10 THR CA C 10 61.620 61.620 60.571 1.049 19869 4900 1 14 . 1 1 10 10 THR CB C 10 70.393 70.393 70.163 0.230 19869 4901 1 14 . 1 1 10 10 THR H H 10 8.675 8.675 8.439 0.236 19869 4902 1 14 . 1 1 11 11 ARG N N 11 123.980 123.980 121.937 2.043 19869 4903 1 14 . 1 1 11 11 ARG HA H 11 5.043 5.043 5.151 -0.108 19869 4904 1 14 . 1 1 11 11 ARG CA C 11 55.142 55.142 55.050 0.092 19869 4905 1 14 . 1 1 11 11 ARG CB C 11 32.130 32.130 32.834 -0.704 19869 4906 1 14 . 1 1 11 11 ARG H H 11 8.322 8.322 8.481 -0.159 19869 4907 1 14 . 1 1 12 12 VAL N N 12 124.311 124.311 122.110 2.201 19869 4908 1 14 . 1 1 12 12 VAL HA H 12 4.410 4.410 4.563 -0.153 19869 4909 1 14 . 1 1 12 12 VAL CA C 12 60.866 60.866 59.693 1.173 19869 4910 1 14 . 1 1 12 12 VAL CB C 12 35.447 35.447 35.947 -0.500 19869 4911 1 14 . 1 1 12 12 VAL H H 12 8.853 8.853 9.138 -0.285 19869 4912 1 14 . 1 1 13 13 SER N N 13 122.286 122.286 122.997 -0.711 19869 4913 1 14 . 1 1 13 13 SER HA H 13 5.435 5.435 5.498 -0.063 19869 4914 1 14 . 1 1 13 13 SER CA C 13 57.199 57.199 57.059 0.140 19869 4915 1 14 . 1 1 13 13 SER CB C 13 63.535 63.535 63.780 -0.245 19869 4916 1 14 . 1 1 13 13 SER H H 13 8.581 8.581 8.468 0.113 19869 4917 1 14 . 1 1 14 14 VAL N N 14 119.340 119.340 120.581 -1.241 19869 4918 1 14 . 1 1 14 14 VAL HA H 14 4.491 4.491 4.601 -0.110 19869 4919 1 14 . 1 1 14 14 VAL CA C 14 56.271 56.271 59.212 -2.941 19869 4920 1 14 . 1 1 14 14 VAL CB C 14 35.709 35.709 35.537 0.172 19869 4921 1 14 . 1 1 14 14 VAL H H 14 9.154 9.154 9.071 0.083 19869 4922 1 14 . 1 1 15 15 ARG N N 15 123.689 123.689 123.056 0.633 19869 4923 1 14 . 1 1 15 15 ARG HA H 15 5.333 5.333 5.067 0.266 19869 4924 1 14 . 1 1 15 15 ARG CA C 15 54.830 54.830 55.460 -0.630 19869 4925 1 14 . 1 1 15 15 ARG CB C 15 31.780 31.780 31.593 0.187 19869 4926 1 14 . 1 1 15 15 ARG H H 15 8.467 8.467 8.483 -0.016 19869 4927 1 14 . 1 1 16 16 ILE N N 16 125.117 125.117 125.318 -0.201 19869 4928 1 14 . 1 1 16 16 ILE HA H 16 4.189 4.189 4.552 -0.363 19869 4929 1 14 . 1 1 16 16 ILE CA C 16 61.240 61.240 60.874 0.366 19869 4930 1 14 . 1 1 16 16 ILE CB C 16 41.680 41.680 40.972 0.708 19869 4931 1 14 . 1 1 16 16 ILE H H 16 9.174 9.174 9.121 0.053 19869 4932 1 14 . 1 1 17 17 TYR N N 17 137.064 137.064 128.342 8.722 19869 4933 1 14 . 1 1 17 17 TYR HA H 17 3.836 3.836 4.102 -0.266 19869 4934 1 14 . 1 1 17 17 TYR CA C 17 59.876 59.876 59.738 0.138 19869 4935 1 14 . 1 1 17 17 TYR CB C 17 39.379 39.379 37.001 2.378 19869 4936 1 14 . 1 1 17 17 TYR H H 17 10.623 10.623 10.108 0.515 19869 4937 1 14 . 1 1 18 18 GLY N N 18 102.991 102.991 105.158 -2.167 19869 4938 1 14 . 1 1 18 18 GLY CA C 18 45.674 45.674 45.158 0.516 19869 4939 1 14 . 1 1 18 18 GLY H H 18 8.604 8.604 8.690 -0.086 19869 4940 1 14 . 1 1 19 19 GLN N N 19 119.104 119.104 121.456 -2.352 19869 4941 1 14 . 1 1 19 19 GLN HA H 19 4.566 4.566 4.381 0.185 19869 4942 1 14 . 1 1 19 19 GLN CA C 19 53.719 53.719 54.830 -1.111 19869 4943 1 14 . 1 1 19 19 GLN CB C 19 32.230 32.230 29.932 2.298 19869 4944 1 14 . 1 1 19 19 GLN H H 19 7.724 7.724 7.759 -0.035 19869 4945 1 14 . 1 1 20 20 ASP N N 20 121.913 121.913 119.679 2.234 19869 4946 1 14 . 1 1 20 20 ASP HA H 20 5.340 5.340 5.133 0.207 19869 4947 1 14 . 1 1 20 20 ASP CA C 20 54.370 54.370 52.859 1.511 19869 4948 1 14 . 1 1 20 20 ASP CB C 20 42.600 42.600 42.631 -0.031 19869 4949 1 14 . 1 1 20 20 ASP H H 20 8.217 8.217 8.045 0.172 19869 4950 1 14 . 1 1 21 21 TYR N N 21 120.801 120.801 119.784 1.017 19869 4951 1 14 . 1 1 21 21 TYR HA H 21 4.538 4.538 4.820 -0.282 19869 4952 1 14 . 1 1 21 21 TYR CA C 21 57.640 57.640 56.332 1.308 19869 4953 1 14 . 1 1 21 21 TYR CB C 21 42.201 42.201 43.353 -1.152 19869 4954 1 14 . 1 1 21 21 TYR H H 21 9.330 9.330 8.988 0.342 19869 4955 1 14 . 1 1 22 22 THR N N 22 118.813 118.813 117.794 1.019 19869 4956 1 14 . 1 1 22 22 THR HA H 22 4.390 4.390 5.377 -0.987 19869 4957 1 14 . 1 1 22 22 THR CA C 22 63.230 63.230 61.332 1.898 19869 4958 1 14 . 1 1 22 22 THR CB C 22 69.380 69.380 69.443 -0.063 19869 4959 1 14 . 1 1 22 22 THR H H 22 8.888 8.888 8.449 0.439 19869 4960 1 14 . 1 1 23 23 ILE N N 23 129.291 129.291 121.629 7.662 19869 4961 1 14 . 1 1 23 23 ILE HA H 23 4.268 4.268 4.716 -0.448 19869 4962 1 14 . 1 1 23 23 ILE CA C 23 59.121 59.121 58.967 0.154 19869 4963 1 14 . 1 1 23 23 ILE CB C 23 37.060 37.060 40.959 -3.899 19869 4964 1 14 . 1 1 23 23 ILE H H 23 9.212 9.212 9.005 0.207 19869 4965 1 14 . 1 1 24 24 VAL N N 24 127.112 127.112 121.171 5.941 19869 4966 1 14 . 1 1 24 24 VAL HA H 24 5.073 5.073 4.364 0.709 19869 4967 1 14 . 1 1 24 24 VAL CA C 24 60.246 60.246 62.500 -2.254 19869 4968 1 14 . 1 1 24 24 VAL CB C 24 33.415 33.415 32.740 0.674 19869 4969 1 14 . 1 1 24 24 VAL H H 24 8.345 8.345 8.431 -0.086 19869 4970 1 14 . 1 1 25 25 GLY N N 25 113.745 113.745 117.898 -4.153 19869 4971 1 14 . 1 1 25 25 GLY CA C 25 45.920 45.920 44.349 1.571 19869 4972 1 14 . 1 1 25 25 GLY H H 25 8.540 8.540 9.061 -0.521 19869 4973 1 14 . 1 1 26 26 ALA N N 26 123.321 123.321 125.612 -2.291 19869 4974 1 14 . 1 1 26 26 ALA HA H 26 4.644 4.644 4.495 0.149 19869 4975 1 14 . 1 1 26 26 ALA CA C 26 51.639 51.639 52.185 -0.546 19869 4976 1 14 . 1 1 26 26 ALA CB C 26 19.725 19.725 17.961 1.764 19869 4977 1 14 . 1 1 26 26 ALA H H 26 8.593 8.593 7.775 0.818 19869 4978 1 14 . 1 1 27 27 GLU N N 27 118.135 118.135 120.316 -2.181 19869 4979 1 14 . 1 1 27 27 GLU HA H 27 4.302 4.302 4.441 -0.139 19869 4980 1 14 . 1 1 27 27 GLU CA C 27 55.670 55.670 55.464 0.206 19869 4981 1 14 . 1 1 27 27 GLU CB C 27 30.724 30.724 32.108 -1.384 19869 4982 1 14 . 1 1 27 27 GLU H H 27 8.120 8.120 7.931 0.189 19869 4983 1 14 . 1 1 28 28 SER N N 28 115.651 115.651 117.552 -1.901 19869 4984 1 14 . 1 1 28 28 SER HA H 28 4.700 4.700 4.635 0.065 19869 4985 1 14 . 1 1 28 28 SER CA C 28 56.044 56.044 57.578 -1.534 19869 4986 1 14 . 1 1 28 28 SER H H 28 8.723 8.723 8.589 0.134 19869 4987 1 14 . 1 1 29 29 PRO HA H 29 4.111 4.111 4.199 -0.088 19869 4988 1 14 . 1 1 29 29 PRO CA C 29 65.792 65.792 65.547 0.245 19869 4989 1 14 . 1 1 29 29 PRO CB C 29 31.750 31.750 31.812 -0.062 19869 4990 1 14 . 1 1 30 30 ALA N N 30 117.252 117.252 117.964 -0.712 19869 4991 1 14 . 1 1 30 30 ALA HA H 30 4.028 4.028 4.313 -0.285 19869 4992 1 14 . 1 1 30 30 ALA CA C 30 55.258 55.258 54.060 1.198 19869 4993 1 14 . 1 1 30 30 ALA CB C 30 18.240 18.240 18.144 0.096 19869 4994 1 14 . 1 1 30 30 ALA H H 30 7.994 7.994 8.361 -0.367 19869 4995 1 14 . 1 1 31 31 HIS N N 31 119.161 119.161 119.392 -0.231 19869 4996 1 14 . 1 1 31 31 HIS HA H 31 4.278 4.278 4.453 -0.175 19869 4997 1 14 . 1 1 31 31 HIS CA C 31 59.697 59.697 58.475 1.222 19869 4998 1 14 . 1 1 31 31 HIS CB C 31 30.320 30.320 30.407 -0.087 19869 4999 1 14 . 1 1 31 31 HIS H H 31 7.902 7.902 7.694 0.208 19869 5000 1 14 . 1 1 32 32 ILE N N 32 118.000 118.000 114.644 3.356 19869 5001 1 14 . 1 1 32 32 ILE HA H 32 3.478 3.478 4.158 -0.680 19869 5002 1 14 . 1 1 32 32 ILE CA C 32 63.480 63.480 62.680 0.800 19869 5003 1 14 . 1 1 32 32 ILE CB C 32 36.290 36.290 37.441 -1.151 19869 5004 1 14 . 1 1 32 32 ILE H H 32 8.092 8.092 7.884 0.208 19869 5005 1 14 . 1 1 33 33 ARG N N 33 118.612 118.612 119.264 -0.652 19869 5006 1 14 . 1 1 33 33 ARG HA H 33 3.911 3.911 4.335 -0.424 19869 5007 1 14 . 1 1 33 33 ARG CA C 33 60.741 60.741 57.693 3.048 19869 5008 1 14 . 1 1 33 33 ARG CB C 33 29.839 29.839 30.218 -0.379 19869 5009 1 14 . 1 1 33 33 ARG H H 33 8.436 8.436 7.590 0.846 19869 5010 1 14 . 1 1 34 34 LEU N N 34 122.935 122.935 118.072 4.863 19869 5011 1 14 . 1 1 34 34 LEU HA H 34 4.154 4.154 4.503 -0.349 19869 5012 1 14 . 1 1 34 34 LEU CA C 34 57.400 57.400 57.369 0.031 19869 5013 1 14 . 1 1 34 34 LEU CB C 34 41.998 41.998 41.329 0.669 19869 5014 1 14 . 1 1 34 34 LEU H H 34 7.565 7.565 7.453 0.112 19869 5015 1 14 . 1 1 35 35 VAL N N 35 121.579 121.579 121.338 0.241 19869 5016 1 14 . 1 1 35 35 VAL HA H 35 3.333 3.333 3.694 -0.361 19869 5017 1 14 . 1 1 35 35 VAL CA C 35 66.440 66.440 67.199 -0.759 19869 5018 1 14 . 1 1 35 35 VAL CB C 35 31.149 31.149 30.852 0.298 19869 5019 1 14 . 1 1 35 35 VAL H H 35 8.414 8.414 7.732 0.682 19869 5020 1 14 . 1 1 36 36 ALA N N 36 121.368 121.368 121.553 -0.185 19869 5021 1 14 . 1 1 36 36 ALA HA H 36 3.794 3.794 4.100 -0.306 19869 5022 1 14 . 1 1 36 36 ALA CA C 36 55.555 55.555 55.205 0.350 19869 5023 1 14 . 1 1 36 36 ALA CB C 36 18.310 18.310 18.002 0.308 19869 5024 1 14 . 1 1 36 36 ALA H H 36 8.791 8.791 8.050 0.741 19869 5025 1 14 . 1 1 37 37 ALA N N 37 119.373 119.373 121.228 -1.855 19869 5026 1 14 . 1 1 37 37 ALA HA H 37 4.305 4.305 4.086 0.219 19869 5027 1 14 . 1 1 37 37 ALA CA C 37 54.825 54.825 54.877 -0.052 19869 5028 1 14 . 1 1 37 37 ALA CB C 37 18.020 18.020 18.546 -0.526 19869 5029 1 14 . 1 1 37 37 ALA H H 37 7.648 7.648 7.926 -0.278 19869 5030 1 14 . 1 1 38 38 PHE N N 38 120.906 120.906 119.856 1.050 19869 5031 1 14 . 1 1 38 38 PHE HA H 38 4.449 4.449 4.273 0.176 19869 5032 1 14 . 1 1 38 38 PHE CA C 38 61.148 61.148 60.837 0.311 19869 5033 1 14 . 1 1 38 38 PHE CB C 38 39.350 39.350 39.402 -0.052 19869 5034 1 14 . 1 1 38 38 PHE H H 38 7.923 7.923 8.129 -0.206 19869 5035 1 14 . 1 1 39 39 VAL N N 39 119.731 119.731 118.405 1.326 19869 5036 1 14 . 1 1 39 39 VAL HA H 39 3.219 3.219 3.324 -0.105 19869 5037 1 14 . 1 1 39 39 VAL CA C 39 67.520 67.520 65.596 1.925 19869 5038 1 14 . 1 1 39 39 VAL CB C 39 32.059 32.059 30.814 1.245 19869 5039 1 14 . 1 1 39 39 VAL H H 39 8.482 8.482 7.688 0.794 19869 5040 1 14 . 1 1 40 40 ASP N N 40 120.200 120.200 120.925 -0.725 19869 5041 1 14 . 1 1 40 40 ASP HA H 40 4.449 4.449 4.359 0.090 19869 5042 1 14 . 1 1 40 40 ASP CA C 40 58.600 58.600 58.178 0.422 19869 5043 1 14 . 1 1 40 40 ASP CB C 40 43.300 43.300 41.180 2.120 19869 5044 1 14 . 1 1 40 40 ASP H H 40 8.851 8.851 8.373 0.478 19869 5045 1 14 . 1 1 41 41 ASP N N 41 120.967 120.967 119.844 1.123 19869 5046 1 14 . 1 1 41 41 ASP HA H 41 4.532 4.532 4.518 0.014 19869 5047 1 14 . 1 1 41 41 ASP CA C 41 57.860 57.860 57.444 0.416 19869 5048 1 14 . 1 1 41 41 ASP CB C 41 40.560 40.560 41.177 -0.617 19869 5049 1 14 . 1 1 41 41 ASP H H 41 8.743 8.743 8.057 0.686 19869 5050 1 14 . 1 1 42 42 LYS N N 42 120.600 120.600 120.073 0.527 19869 5051 1 14 . 1 1 42 42 LYS HA H 42 3.967 3.967 4.276 -0.309 19869 5052 1 14 . 1 1 42 42 LYS CA C 42 57.880 57.880 59.126 -1.246 19869 5053 1 14 . 1 1 42 42 LYS CB C 42 31.440 31.440 32.335 -0.895 19869 5054 1 14 . 1 1 42 42 LYS H H 42 7.990 7.990 7.393 0.597 19869 5055 1 14 . 1 1 43 43 MET N N 43 119.600 119.600 117.190 2.410 19869 5056 1 14 . 1 1 43 43 MET HA H 43 3.957 3.957 4.171 -0.214 19869 5057 1 14 . 1 1 43 43 MET CA C 43 55.600 55.600 59.604 -4.004 19869 5058 1 14 . 1 1 43 43 MET CB C 43 33.950 33.950 32.507 1.443 19869 5059 1 14 . 1 1 43 43 MET H H 43 8.844 8.844 7.918 0.926 19869 5060 1 14 . 1 1 44 44 HIS N N 44 115.981 115.981 118.857 -2.876 19869 5061 1 14 . 1 1 44 44 HIS HA H 44 4.408 4.408 4.440 -0.032 19869 5062 1 14 . 1 1 44 44 HIS CA C 44 61.250 61.250 60.569 0.681 19869 5063 1 14 . 1 1 44 44 HIS CB C 44 28.045 28.045 29.883 -1.838 19869 5064 1 14 . 1 1 44 44 HIS H H 44 8.296 8.296 7.639 0.657 19869 5065 1 14 . 1 1 45 45 GLU N N 45 122.501 122.501 119.190 3.311 19869 5066 1 14 . 1 1 45 45 GLU HA H 45 4.034 4.034 4.073 -0.039 19869 5067 1 14 . 1 1 45 45 GLU CA C 45 59.580 59.580 58.929 0.651 19869 5068 1 14 . 1 1 45 45 GLU CB C 45 29.533 29.533 28.958 0.575 19869 5069 1 14 . 1 1 45 45 GLU H H 45 8.399 8.399 8.078 0.321 19869 5070 1 14 . 1 1 46 46 PHE N N 46 118.451 118.451 120.067 -1.616 19869 5071 1 14 . 1 1 46 46 PHE HA H 46 4.183 4.183 4.341 -0.158 19869 5072 1 14 . 1 1 46 46 PHE CA C 46 61.689 61.689 61.032 0.656 19869 5073 1 14 . 1 1 46 46 PHE CB C 46 38.979 38.979 39.169 -0.190 19869 5074 1 14 . 1 1 46 46 PHE H H 46 8.320 8.320 7.859 0.461 19869 5075 1 14 . 1 1 47 47 SER N N 47 114.878 114.878 113.736 1.142 19869 5076 1 14 . 1 1 47 47 SER HA H 47 4.111 4.111 4.324 -0.213 19869 5077 1 14 . 1 1 47 47 SER CA C 47 60.281 60.281 60.997 -0.716 19869 5078 1 14 . 1 1 47 47 SER CB C 47 63.321 63.321 62.893 0.428 19869 5079 1 14 . 1 1 47 47 SER H H 47 8.278 8.278 7.949 0.329 19869 5080 1 14 . 1 1 48 48 GLU N N 48 118.579 118.579 119.078 -0.499 19869 5081 1 14 . 1 1 48 48 GLU HA H 48 4.059 4.059 4.284 -0.225 19869 5082 1 14 . 1 1 48 48 GLU CA C 48 58.641 58.641 58.025 0.616 19869 5083 1 14 . 1 1 48 48 GLU CB C 48 29.720 29.720 29.890 -0.171 19869 5084 1 14 . 1 1 48 48 GLU H H 48 7.651 7.651 7.516 0.135 19869 5085 1 14 . 1 1 49 49 LYS N N 49 116.048 116.048 116.971 -0.923 19869 5086 1 14 . 1 1 49 49 LYS HA H 49 4.211 4.211 4.410 -0.199 19869 5087 1 14 . 1 1 49 49 LYS CA C 49 57.580 57.580 55.919 1.661 19869 5088 1 14 . 1 1 49 49 LYS CB C 49 33.450 33.450 33.404 0.047 19869 5089 1 14 . 1 1 49 49 LYS H H 49 7.281 7.281 7.516 -0.235 19869 5090 1 14 . 1 1 50 50 GLN N N 50 117.953 117.953 117.985 -0.032 19869 5091 1 14 . 1 1 50 50 GLN HA H 50 4.249 4.249 4.170 0.079 19869 5092 1 14 . 1 1 50 50 GLN CA C 50 55.610 55.610 56.002 -0.392 19869 5093 1 14 . 1 1 50 50 GLN CB C 50 30.050 30.050 26.799 3.251 19869 5094 1 14 . 1 1 50 50 GLN H H 50 7.930 7.930 7.727 0.203 19869 5095 1 14 . 1 1 51 51 PRO HA H 51 4.597 4.597 4.298 0.299 19869 5096 1 14 . 1 1 51 51 PRO CA C 51 63.600 63.600 65.073 -1.473 19869 5097 1 14 . 1 1 51 51 PRO CB C 51 32.522 32.522 31.995 0.527 19869 5098 1 14 . 1 1 52 52 MET N N 52 115.230 115.230 115.626 -0.396 19869 5099 1 14 . 1 1 52 52 MET HA H 52 4.513 4.513 4.548 -0.035 19869 5100 1 14 . 1 1 52 52 MET CA C 52 55.505 55.505 54.765 0.740 19869 5101 1 14 . 1 1 52 52 MET CB C 52 30.920 30.920 32.539 -1.619 19869 5102 1 14 . 1 1 52 52 MET H H 52 8.558 8.558 8.115 0.443 19869 5103 1 14 . 1 1 53 53 LEU N N 53 120.540 120.540 117.816 2.724 19869 5104 1 14 . 1 1 53 53 LEU HA H 53 4.252 4.252 3.974 0.278 19869 5105 1 14 . 1 1 53 53 LEU CA C 53 55.690 55.690 55.353 0.336 19869 5106 1 14 . 1 1 53 53 LEU CB C 53 42.728 42.728 41.415 1.313 19869 5107 1 14 . 1 1 53 53 LEU H H 53 7.557 7.557 7.878 -0.321 19869 5108 1 14 . 1 1 54 54 ASP N N 54 121.294 121.294 118.306 2.988 19869 5109 1 14 . 1 1 54 54 ASP HA H 54 4.640 4.640 4.757 -0.117 19869 5110 1 14 . 1 1 54 54 ASP CA C 54 52.280 52.280 53.251 -0.971 19869 5111 1 14 . 1 1 54 54 ASP CB C 54 41.330 41.330 42.862 -1.532 19869 5112 1 14 . 1 1 54 54 ASP H H 54 7.941 7.941 7.784 0.158 19869 5113 1 14 . 1 1 55 55 VAL N N 55 118.701 118.701 125.559 -6.858 19869 5114 1 14 . 1 1 55 55 VAL HA H 55 4.277 4.277 3.890 0.387 19869 5115 1 14 . 1 1 55 55 VAL CA C 55 62.510 62.510 66.998 -4.487 19869 5116 1 14 . 1 1 55 55 VAL CB C 55 29.900 29.900 29.675 0.225 19869 5117 1 14 . 1 1 55 55 VAL H H 55 8.444 8.444 8.527 -0.083 19869 5118 1 14 . 1 1 56 56 PRO HA H 56 3.981 3.981 4.108 -0.127 19869 5119 1 14 . 1 1 56 56 PRO CA C 56 66.840 66.840 66.225 0.615 19869 5120 1 14 . 1 1 56 56 PRO CB C 56 30.875 30.875 30.986 -0.111 19869 5121 1 14 . 1 1 57 57 LYS N N 57 114.335 114.335 117.294 -2.959 19869 5122 1 14 . 1 1 57 57 LYS HA H 57 4.213 4.213 4.122 0.091 19869 5123 1 14 . 1 1 57 57 LYS CA C 57 60.027 60.027 58.702 1.325 19869 5124 1 14 . 1 1 57 57 LYS CB C 57 33.700 33.700 31.731 1.969 19869 5125 1 14 . 1 1 57 57 LYS H H 57 7.224 7.224 8.213 -0.989 19869 5126 1 14 . 1 1 58 58 LEU N N 58 119.010 119.010 120.591 -1.581 19869 5127 1 14 . 1 1 58 58 LEU HA H 58 3.714 3.714 3.909 -0.195 19869 5128 1 14 . 1 1 58 58 LEU CA C 58 57.900 57.900 57.661 0.239 19869 5129 1 14 . 1 1 58 58 LEU CB C 58 42.966 42.966 41.734 1.232 19869 5130 1 14 . 1 1 58 58 LEU H H 58 8.369 8.369 7.651 0.718 19869 5131 1 14 . 1 1 59 59 ALA N N 59 122.559 122.559 121.709 0.850 19869 5132 1 14 . 1 1 59 59 ALA HA H 59 3.720 3.720 3.790 -0.070 19869 5133 1 14 . 1 1 59 59 ALA CA C 59 55.510 55.510 54.981 0.528 19869 5134 1 14 . 1 1 59 59 ALA CB C 59 19.020 19.020 18.065 0.955 19869 5135 1 14 . 1 1 59 59 ALA H H 59 8.686 8.686 8.096 0.590 19869 5136 1 14 . 1 1 60 60 VAL N N 60 118.664 118.664 118.613 0.051 19869 5137 1 14 . 1 1 60 60 VAL HA H 60 3.251 3.251 3.713 -0.462 19869 5138 1 14 . 1 1 60 60 VAL CA C 60 67.397 67.397 64.828 2.569 19869 5139 1 14 . 1 1 60 60 VAL CB C 60 31.340 31.340 31.687 -0.347 19869 5140 1 14 . 1 1 60 60 VAL H H 60 7.777 7.777 7.448 0.329 19869 5141 1 14 . 1 1 61 61 LEU N N 61 118.415 118.415 118.936 -0.521 19869 5142 1 14 . 1 1 61 61 LEU HA H 61 3.553 3.553 3.943 -0.390 19869 5143 1 14 . 1 1 61 61 LEU CA C 61 58.150 58.150 57.840 0.310 19869 5144 1 14 . 1 1 61 61 LEU CB C 61 40.340 40.340 41.359 -1.020 19869 5145 1 14 . 1 1 61 61 LEU H H 61 8.328 8.328 7.370 0.958 19869 5146 1 14 . 1 1 62 62 THR N N 62 117.416 117.416 110.714 6.702 19869 5147 1 14 . 1 1 62 62 THR HA H 62 4.130 4.130 3.812 0.318 19869 5148 1 14 . 1 1 62 62 THR CA C 62 67.220 67.220 65.074 2.146 19869 5149 1 14 . 1 1 62 62 THR CB C 62 68.364 68.364 68.549 -0.185 19869 5150 1 14 . 1 1 62 62 THR H H 62 7.787 7.787 7.206 0.581 19869 5151 1 14 . 1 1 63 63 ALA N N 63 124.319 124.319 125.077 -0.758 19869 5152 1 14 . 1 1 63 63 ALA HA H 63 3.746 3.746 4.056 -0.310 19869 5153 1 14 . 1 1 63 63 ALA CA C 63 56.243 56.243 55.147 1.096 19869 5154 1 14 . 1 1 63 63 ALA CB C 63 17.121 17.121 17.937 -0.816 19869 5155 1 14 . 1 1 63 63 ALA H H 63 8.175 8.175 7.407 0.768 19869 5156 1 14 . 1 1 64 64 VAL N N 64 116.756 116.756 118.674 -1.918 19869 5157 1 14 . 1 1 64 64 VAL HA H 64 3.324 3.324 3.589 -0.265 19869 5158 1 14 . 1 1 64 64 VAL CA C 64 66.543 66.543 65.749 0.794 19869 5159 1 14 . 1 1 64 64 VAL CB C 64 31.340 31.340 31.631 -0.291 19869 5160 1 14 . 1 1 64 64 VAL H H 64 8.422 8.422 7.742 0.680 19869 5161 1 14 . 1 1 65 65 GLN N N 65 120.091 120.091 120.260 -0.169 19869 5162 1 14 . 1 1 65 65 GLN HA H 65 4.015 4.015 4.106 -0.091 19869 5163 1 14 . 1 1 65 65 GLN CA C 65 59.290 59.290 59.352 -0.062 19869 5164 1 14 . 1 1 65 65 GLN CB C 65 28.450 28.450 28.900 -0.450 19869 5165 1 14 . 1 1 65 65 GLN H H 65 7.924 7.924 7.371 0.553 19869 5166 1 14 . 1 1 66 66 ILE N N 66 118.358 118.358 121.102 -2.744 19869 5167 1 14 . 1 1 66 66 ILE HA H 66 3.526 3.526 4.054 -0.528 19869 5168 1 14 . 1 1 66 66 ILE CA C 66 65.305 65.305 65.360 -0.055 19869 5169 1 14 . 1 1 66 66 ILE H H 66 8.441 8.441 8.646 -0.205 19869 5170 1 14 . 1 1 67 67 ALA N N 67 121.518 121.518 121.558 -0.040 19869 5171 1 14 . 1 1 67 67 ALA HA H 67 4.025 4.025 4.048 -0.023 19869 5172 1 14 . 1 1 67 67 ALA CA C 67 55.501 55.501 55.741 -0.240 19869 5173 1 14 . 1 1 67 67 ALA CB C 67 19.668 19.668 18.059 1.609 19869 5174 1 14 . 1 1 67 67 ALA H H 67 8.947 8.947 8.354 0.593 19869 5175 1 14 . 1 1 68 68 SER N N 68 112.523 112.523 114.930 -2.407 19869 5176 1 14 . 1 1 68 68 SER HA H 68 4.174 4.174 4.080 0.094 19869 5177 1 14 . 1 1 68 68 SER CA C 68 61.429 61.429 62.800 -1.371 19869 5178 1 14 . 1 1 68 68 SER CB C 68 63.011 63.011 62.984 0.027 19869 5179 1 14 . 1 1 68 68 SER H H 68 8.492 8.492 7.815 0.677 19869 5180 1 14 . 1 1 69 69 GLU N N 69 117.397 117.397 121.762 -4.365 19869 5181 1 14 . 1 1 69 69 GLU HA H 69 3.998 3.998 4.005 -0.007 19869 5182 1 14 . 1 1 69 69 GLU CA C 69 59.181 59.181 59.313 -0.132 19869 5183 1 14 . 1 1 69 69 GLU CB C 69 28.760 28.760 29.703 -0.943 19869 5184 1 14 . 1 1 69 69 GLU H H 69 7.579 7.579 8.157 -0.578 19869 5185 1 14 . 1 1 70 70 TYR N N 70 120.853 120.853 118.007 2.846 19869 5186 1 14 . 1 1 70 70 TYR HA H 70 4.352 4.352 4.375 -0.023 19869 5187 1 14 . 1 1 70 70 TYR CA C 70 60.530 60.530 61.162 -0.632 19869 5188 1 14 . 1 1 70 70 TYR CB C 70 38.480 38.480 38.764 -0.284 19869 5189 1 14 . 1 1 70 70 TYR H H 70 8.635 8.635 7.931 0.704 19869 5190 1 14 . 1 1 71 71 LEU N N 71 119.400 119.400 120.533 -1.133 19869 5191 1 14 . 1 1 71 71 LEU HA H 71 3.554 3.554 3.892 -0.338 19869 5192 1 14 . 1 1 71 71 LEU CA C 71 58.368 58.368 58.344 0.024 19869 5193 1 14 . 1 1 71 71 LEU CB C 71 40.564 40.564 41.965 -1.401 19869 5194 1 14 . 1 1 71 71 LEU H H 71 8.836 8.836 8.593 0.243 19869 5195 1 14 . 1 1 72 72 LYS N N 72 119.127 119.127 117.919 1.208 19869 5196 1 14 . 1 1 72 72 LYS HA H 72 4.095 4.095 4.147 -0.052 19869 5197 1 14 . 1 1 72 72 LYS CA C 72 59.780 59.780 58.754 1.026 19869 5198 1 14 . 1 1 72 72 LYS CB C 72 32.640 32.640 32.015 0.625 19869 5199 1 14 . 1 1 72 72 LYS H H 72 7.957 7.957 7.724 0.233 19869 5200 1 14 . 1 1 73 73 LEU N N 73 122.487 122.487 120.929 1.558 19869 5201 1 14 . 1 1 73 73 LEU HA H 73 4.127 4.127 4.405 -0.278 19869 5202 1 14 . 1 1 73 73 LEU CA C 73 57.340 57.340 56.788 0.552 19869 5203 1 14 . 1 1 73 73 LEU CB C 73 41.020 41.020 42.561 -1.541 19869 5204 1 14 . 1 1 73 73 LEU H H 73 8.033 8.033 7.319 0.714 19869 5205 1 14 . 1 1 74 74 LYS N N 74 120.309 120.309 118.865 1.444 19869 5206 1 14 . 1 1 74 74 LYS HA H 74 3.759 3.759 4.187 -0.428 19869 5207 1 14 . 1 1 74 74 LYS CA C 74 60.700 60.700 58.979 1.721 19869 5208 1 14 . 1 1 74 74 LYS CB C 74 32.140 32.140 32.385 -0.245 19869 5209 1 14 . 1 1 74 74 LYS H H 74 8.750 8.750 8.411 0.339 19869 5210 1 14 . 1 1 75 75 GLU N N 75 118.296 118.296 120.027 -1.731 19869 5211 1 14 . 1 1 75 75 GLU HA H 75 4.098 4.098 4.133 -0.035 19869 5212 1 14 . 1 1 75 75 GLU CA C 75 59.330 59.330 59.220 0.110 19869 5213 1 14 . 1 1 75 75 GLU CB C 75 29.500 29.500 29.590 -0.090 19869 5214 1 14 . 1 1 75 75 GLU H H 75 7.274 7.274 7.929 -0.655 19869 5215 1 14 . 1 1 76 76 GLU N N 76 120.788 120.788 119.448 1.340 19869 5216 1 14 . 1 1 76 76 GLU HA H 76 4.152 4.152 3.995 0.157 19869 5217 1 14 . 1 1 76 76 GLU CA C 76 59.082 59.082 58.654 0.428 19869 5218 1 14 . 1 1 76 76 GLU CB C 76 29.235 29.235 28.882 0.353 19869 5219 1 14 . 1 1 76 76 GLU H H 76 7.756 7.756 7.912 -0.156 19869 5220 1 14 . 1 1 77 77 TYR N N 77 121.399 121.399 121.806 -0.407 19869 5221 1 14 . 1 1 77 77 TYR HA H 77 4.210 4.210 4.112 0.099 19869 5222 1 14 . 1 1 77 77 TYR CA C 77 61.704 61.704 60.929 0.774 19869 5223 1 14 . 1 1 77 77 TYR CB C 77 38.889 38.889 38.211 0.678 19869 5224 1 14 . 1 1 77 77 TYR H H 77 9.401 9.401 7.775 1.626 19869 5225 1 14 . 1 1 78 78 GLN N N 78 118.068 118.068 116.793 1.275 19869 5226 1 14 . 1 1 78 78 GLN HA H 78 3.784 3.784 3.746 0.038 19869 5227 1 14 . 1 1 78 78 GLN CA C 78 58.915 58.915 58.195 0.720 19869 5228 1 14 . 1 1 78 78 GLN CB C 78 27.880 27.880 27.846 0.034 19869 5229 1 14 . 1 1 78 78 GLN H H 78 8.169 8.169 7.749 0.420 19869 5230 1 14 . 1 1 79 79 ARG N N 79 118.446 118.446 120.476 -2.030 19869 5231 1 14 . 1 1 79 79 ARG HA H 79 4.045 4.045 4.261 -0.216 19869 5232 1 14 . 1 1 79 79 ARG CA C 79 59.310 59.310 58.352 0.958 19869 5233 1 14 . 1 1 79 79 ARG CB C 79 30.220 30.220 29.672 0.547 19869 5234 1 14 . 1 1 79 79 ARG H H 79 7.814 7.814 7.670 0.144 19869 5235 1 14 . 1 1 80 80 LEU N N 80 121.039 121.039 115.596 5.443 19869 5236 1 14 . 1 1 80 80 LEU HA H 80 4.130 4.130 4.493 -0.363 19869 5237 1 14 . 1 1 80 80 LEU CA C 80 57.689 57.689 57.283 0.406 19869 5238 1 14 . 1 1 80 80 LEU CB C 80 41.670 41.670 41.604 0.066 19869 5239 1 14 . 1 1 80 80 LEU H H 80 7.989 7.989 7.652 0.337 19869 5240 1 14 . 1 1 81 81 ARG N N 81 117.498 117.498 119.807 -2.309 19869 5241 1 14 . 1 1 81 81 ARG HA H 81 3.717 3.717 4.032 -0.315 19869 5242 1 14 . 1 1 81 81 ARG CA C 81 59.030 59.030 59.219 -0.189 19869 5243 1 14 . 1 1 81 81 ARG CB C 81 29.500 29.500 30.049 -0.549 19869 5244 1 14 . 1 1 81 81 ARG H H 81 8.241 8.241 7.424 0.817 19869 5245 1 14 . 1 1 82 82 GLU N N 82 117.300 117.300 119.042 -1.742 19869 5246 1 14 . 1 1 82 82 GLU HA H 82 4.060 4.060 3.937 0.123 19869 5247 1 14 . 1 1 82 82 GLU CA C 82 58.205 58.205 59.295 -1.090 19869 5248 1 14 . 1 1 82 82 GLU CB C 82 29.539 29.539 28.702 0.837 19869 5249 1 14 . 1 1 82 82 GLU H H 82 7.671 7.671 8.657 -0.986 19869 5250 1 14 . 1 1 83 83 GLN N N 83 117.205 117.205 118.325 -1.120 19869 5251 1 14 . 1 1 83 83 GLN HA H 83 4.192 4.192 4.078 0.114 19869 5252 1 14 . 1 1 83 83 GLN CA C 83 56.940 56.940 58.096 -1.155 19869 5253 1 14 . 1 1 83 83 GLN CB C 83 29.110 29.110 28.872 0.239 19869 5254 1 14 . 1 1 83 83 GLN H H 83 7.745 7.745 7.579 0.166 19869 5255 1 14 . 1 1 84 84 LEU N N 84 120.465 120.465 118.183 2.282 19869 5256 1 14 . 1 1 84 84 LEU HA H 84 4.301 4.301 4.224 0.077 19869 5257 1 14 . 1 1 84 84 LEU CA C 84 55.180 55.180 56.286 -1.106 19869 5258 1 14 . 1 1 84 84 LEU CB C 84 42.190 42.190 42.031 0.159 19869 5259 1 14 . 1 1 84 84 LEU H H 84 7.500 7.500 7.377 0.123 19869 5260 1 14 . 1 1 85 85 LYS N N 85 126.524 126.524 118.721 7.803 19869 5261 1 14 . 1 1 85 85 LYS HA H 85 4.063 4.063 4.080 -0.017 19869 5262 1 14 . 1 1 85 85 LYS CA C 85 57.499 57.499 58.714 -1.215 19869 5263 1 14 . 1 1 85 85 LYS CB C 85 33.640 33.640 33.052 0.588 19869 5264 1 14 . 1 1 85 85 LYS H H 85 7.525 7.525 7.681 -0.156 19869 5265 1 15 . 1 1 8 8 PRO HA H 8 4.396 4.396 4.570 -0.174 19869 5266 1 15 . 1 1 8 8 PRO CA C 8 63.046 63.046 62.224 0.822 19869 5267 1 15 . 1 1 8 8 PRO CB C 8 32.151 32.151 32.301 -0.150 19869 5268 1 15 . 1 1 9 9 LYS N N 9 121.282 121.282 120.376 0.906 19869 5269 1 15 . 1 1 9 9 LYS HA H 9 4.373 4.373 4.118 0.255 19869 5270 1 15 . 1 1 9 9 LYS CA C 9 56.140 56.140 56.745 -0.605 19869 5271 1 15 . 1 1 9 9 LYS CB C 9 33.680 33.680 31.786 1.894 19869 5272 1 15 . 1 1 9 9 LYS H H 9 8.363 8.363 8.233 0.130 19869 5273 1 15 . 1 1 10 10 THR N N 10 117.787 117.787 116.582 1.205 19869 5274 1 15 . 1 1 10 10 THR HA H 10 4.357 4.357 4.353 0.004 19869 5275 1 15 . 1 1 10 10 THR CA C 10 61.620 61.620 61.435 0.184 19869 5276 1 15 . 1 1 10 10 THR CB C 10 70.393 70.393 70.135 0.258 19869 5277 1 15 . 1 1 10 10 THR H H 10 8.675 8.675 8.320 0.355 19869 5278 1 15 . 1 1 11 11 ARG N N 11 123.980 123.980 123.419 0.561 19869 5279 1 15 . 1 1 11 11 ARG HA H 11 5.043 5.043 5.032 0.011 19869 5280 1 15 . 1 1 11 11 ARG CA C 11 55.142 55.142 55.121 0.021 19869 5281 1 15 . 1 1 11 11 ARG CB C 11 32.130 32.130 33.072 -0.942 19869 5282 1 15 . 1 1 11 11 ARG H H 11 8.322 8.322 8.412 -0.090 19869 5283 1 15 . 1 1 12 12 VAL N N 12 124.311 124.311 121.681 2.630 19869 5284 1 15 . 1 1 12 12 VAL HA H 12 4.410 4.410 4.490 -0.080 19869 5285 1 15 . 1 1 12 12 VAL CA C 12 60.866 60.866 59.596 1.270 19869 5286 1 15 . 1 1 12 12 VAL CB C 12 35.447 35.447 36.140 -0.693 19869 5287 1 15 . 1 1 12 12 VAL H H 12 8.853 8.853 9.169 -0.316 19869 5288 1 15 . 1 1 13 13 SER N N 13 122.286 122.286 122.699 -0.413 19869 5289 1 15 . 1 1 13 13 SER HA H 13 5.435 5.435 5.500 -0.065 19869 5290 1 15 . 1 1 13 13 SER CA C 13 57.199 57.199 56.949 0.250 19869 5291 1 15 . 1 1 13 13 SER CB C 13 63.535 63.535 63.283 0.252 19869 5292 1 15 . 1 1 13 13 SER H H 13 8.581 8.581 8.511 0.070 19869 5293 1 15 . 1 1 14 14 VAL N N 14 119.340 119.340 119.482 -0.142 19869 5294 1 15 . 1 1 14 14 VAL HA H 14 4.491 4.491 4.599 -0.108 19869 5295 1 15 . 1 1 14 14 VAL CA C 14 56.271 56.271 59.388 -3.117 19869 5296 1 15 . 1 1 14 14 VAL CB C 14 35.709 35.709 34.616 1.093 19869 5297 1 15 . 1 1 14 14 VAL H H 14 9.154 9.154 8.862 0.292 19869 5298 1 15 . 1 1 15 15 ARG N N 15 123.689 123.689 123.358 0.331 19869 5299 1 15 . 1 1 15 15 ARG HA H 15 5.333 5.333 5.284 0.049 19869 5300 1 15 . 1 1 15 15 ARG CA C 15 54.830 54.830 55.516 -0.686 19869 5301 1 15 . 1 1 15 15 ARG CB C 15 31.780 31.780 31.428 0.352 19869 5302 1 15 . 1 1 15 15 ARG H H 15 8.467 8.467 8.512 -0.045 19869 5303 1 15 . 1 1 16 16 ILE N N 16 125.117 125.117 125.450 -0.333 19869 5304 1 15 . 1 1 16 16 ILE HA H 16 4.189 4.189 4.458 -0.269 19869 5305 1 15 . 1 1 16 16 ILE CA C 16 61.240 61.240 60.952 0.289 19869 5306 1 15 . 1 1 16 16 ILE CB C 16 41.680 41.680 40.838 0.842 19869 5307 1 15 . 1 1 16 16 ILE H H 16 9.174 9.174 9.319 -0.145 19869 5308 1 15 . 1 1 17 17 TYR N N 17 137.064 137.064 128.255 8.809 19869 5309 1 15 . 1 1 17 17 TYR HA H 17 3.836 3.836 4.194 -0.358 19869 5310 1 15 . 1 1 17 17 TYR CA C 17 59.876 59.876 59.771 0.105 19869 5311 1 15 . 1 1 17 17 TYR CB C 17 39.379 39.379 37.023 2.356 19869 5312 1 15 . 1 1 17 17 TYR H H 17 10.623 10.623 9.595 1.028 19869 5313 1 15 . 1 1 18 18 GLY N N 18 102.991 102.991 103.287 -0.296 19869 5314 1 15 . 1 1 18 18 GLY CA C 18 45.674 45.674 45.034 0.640 19869 5315 1 15 . 1 1 18 18 GLY H H 18 8.604 8.604 8.645 -0.041 19869 5316 1 15 . 1 1 19 19 GLN N N 19 119.104 119.104 121.549 -2.445 19869 5317 1 15 . 1 1 19 19 GLN HA H 19 4.566 4.566 4.553 0.013 19869 5318 1 15 . 1 1 19 19 GLN CA C 19 53.719 53.719 53.685 0.034 19869 5319 1 15 . 1 1 19 19 GLN CB C 19 32.230 32.230 30.392 1.838 19869 5320 1 15 . 1 1 19 19 GLN H H 19 7.724 7.724 7.789 -0.065 19869 5321 1 15 . 1 1 20 20 ASP N N 20 121.913 121.913 118.339 3.574 19869 5322 1 15 . 1 1 20 20 ASP HA H 20 5.340 5.340 5.308 0.032 19869 5323 1 15 . 1 1 20 20 ASP CA C 20 54.370 54.370 52.887 1.483 19869 5324 1 15 . 1 1 20 20 ASP CB C 20 42.600 42.600 42.520 0.080 19869 5325 1 15 . 1 1 20 20 ASP H H 20 8.217 8.217 8.185 0.032 19869 5326 1 15 . 1 1 21 21 TYR N N 21 120.801 120.801 120.197 0.604 19869 5327 1 15 . 1 1 21 21 TYR HA H 21 4.538 4.538 4.754 -0.216 19869 5328 1 15 . 1 1 21 21 TYR CA C 21 57.640 57.640 56.662 0.978 19869 5329 1 15 . 1 1 21 21 TYR CB C 21 42.201 42.201 42.362 -0.161 19869 5330 1 15 . 1 1 21 21 TYR H H 21 9.330 9.330 9.099 0.231 19869 5331 1 15 . 1 1 22 22 THR N N 22 118.813 118.813 119.124 -0.311 19869 5332 1 15 . 1 1 22 22 THR HA H 22 4.390 4.390 4.896 -0.506 19869 5333 1 15 . 1 1 22 22 THR CA C 22 63.230 63.230 62.096 1.135 19869 5334 1 15 . 1 1 22 22 THR CB C 22 69.380 69.380 68.213 1.167 19869 5335 1 15 . 1 1 22 22 THR H H 22 8.888 8.888 8.643 0.245 19869 5336 1 15 . 1 1 23 23 ILE N N 23 129.291 129.291 121.882 7.409 19869 5337 1 15 . 1 1 23 23 ILE HA H 23 4.268 4.268 4.794 -0.526 19869 5338 1 15 . 1 1 23 23 ILE CA C 23 59.121 59.121 58.954 0.167 19869 5339 1 15 . 1 1 23 23 ILE CB C 23 37.060 37.060 41.186 -4.126 19869 5340 1 15 . 1 1 23 23 ILE H H 23 9.212 9.212 8.910 0.302 19869 5341 1 15 . 1 1 24 24 VAL N N 24 127.112 127.112 120.831 6.281 19869 5342 1 15 . 1 1 24 24 VAL HA H 24 5.073 5.073 4.224 0.849 19869 5343 1 15 . 1 1 24 24 VAL CA C 24 60.246 60.246 62.488 -2.242 19869 5344 1 15 . 1 1 24 24 VAL CB C 24 33.415 33.415 31.625 1.790 19869 5345 1 15 . 1 1 24 24 VAL H H 24 8.345 8.345 8.402 -0.057 19869 5346 1 15 . 1 1 25 25 GLY N N 25 113.745 113.745 114.045 -0.300 19869 5347 1 15 . 1 1 25 25 GLY CA C 25 45.920 45.920 44.734 1.186 19869 5348 1 15 . 1 1 25 25 GLY H H 25 8.540 8.540 8.790 -0.250 19869 5349 1 15 . 1 1 26 26 ALA N N 26 123.321 123.321 124.571 -1.250 19869 5350 1 15 . 1 1 26 26 ALA HA H 26 4.644 4.644 4.335 0.309 19869 5351 1 15 . 1 1 26 26 ALA CA C 26 51.639 51.639 52.017 -0.378 19869 5352 1 15 . 1 1 26 26 ALA CB C 26 19.725 19.725 17.262 2.463 19869 5353 1 15 . 1 1 26 26 ALA H H 26 8.593 8.593 8.562 0.031 19869 5354 1 15 . 1 1 27 27 GLU N N 27 118.135 118.135 120.504 -2.369 19869 5355 1 15 . 1 1 27 27 GLU HA H 27 4.302 4.302 4.529 -0.227 19869 5356 1 15 . 1 1 27 27 GLU CA C 27 55.670 55.670 55.291 0.379 19869 5357 1 15 . 1 1 27 27 GLU CB C 27 30.724 30.724 32.228 -1.504 19869 5358 1 15 . 1 1 27 27 GLU H H 27 8.120 8.120 8.156 -0.036 19869 5359 1 15 . 1 1 28 28 SER N N 28 115.651 115.651 117.158 -1.507 19869 5360 1 15 . 1 1 28 28 SER HA H 28 4.700 4.700 4.844 -0.144 19869 5361 1 15 . 1 1 28 28 SER CA C 28 56.044 56.044 56.628 -0.584 19869 5362 1 15 . 1 1 28 28 SER H H 28 8.723 8.723 8.740 -0.017 19869 5363 1 15 . 1 1 29 29 PRO HA H 29 4.111 4.111 4.221 -0.110 19869 5364 1 15 . 1 1 29 29 PRO CA C 29 65.792 65.792 65.478 0.314 19869 5365 1 15 . 1 1 29 29 PRO CB C 29 31.750 31.750 31.721 0.029 19869 5366 1 15 . 1 1 30 30 ALA N N 30 117.252 117.252 118.239 -0.987 19869 5367 1 15 . 1 1 30 30 ALA HA H 30 4.028 4.028 4.233 -0.205 19869 5368 1 15 . 1 1 30 30 ALA CA C 30 55.258 55.258 54.398 0.860 19869 5369 1 15 . 1 1 30 30 ALA CB C 30 18.240 18.240 18.035 0.204 19869 5370 1 15 . 1 1 30 30 ALA H H 30 7.994 7.994 8.354 -0.360 19869 5371 1 15 . 1 1 31 31 HIS N N 31 119.161 119.161 119.420 -0.259 19869 5372 1 15 . 1 1 31 31 HIS HA H 31 4.278 4.278 4.381 -0.103 19869 5373 1 15 . 1 1 31 31 HIS CA C 31 59.697 59.697 59.389 0.308 19869 5374 1 15 . 1 1 31 31 HIS CB C 31 30.320 30.320 30.663 -0.343 19869 5375 1 15 . 1 1 31 31 HIS H H 31 7.902 7.902 7.492 0.410 19869 5376 1 15 . 1 1 32 32 ILE N N 32 118.000 118.000 115.133 2.867 19869 5377 1 15 . 1 1 32 32 ILE HA H 32 3.478 3.478 3.922 -0.444 19869 5378 1 15 . 1 1 32 32 ILE CA C 32 63.480 63.480 63.856 -0.376 19869 5379 1 15 . 1 1 32 32 ILE CB C 32 36.290 36.290 37.483 -1.194 19869 5380 1 15 . 1 1 32 32 ILE H H 32 8.092 8.092 8.204 -0.112 19869 5381 1 15 . 1 1 33 33 ARG N N 33 118.612 118.612 119.149 -0.537 19869 5382 1 15 . 1 1 33 33 ARG HA H 33 3.911 3.911 4.222 -0.311 19869 5383 1 15 . 1 1 33 33 ARG CA C 33 60.741 60.741 58.882 1.859 19869 5384 1 15 . 1 1 33 33 ARG CB C 33 29.839 29.839 30.410 -0.571 19869 5385 1 15 . 1 1 33 33 ARG H H 33 8.436 8.436 7.650 0.786 19869 5386 1 15 . 1 1 34 34 LEU N N 34 122.935 122.935 117.924 5.011 19869 5387 1 15 . 1 1 34 34 LEU HA H 34 4.154 4.154 4.401 -0.247 19869 5388 1 15 . 1 1 34 34 LEU CA C 34 57.400 57.400 57.229 0.171 19869 5389 1 15 . 1 1 34 34 LEU CB C 34 41.998 41.998 41.229 0.769 19869 5390 1 15 . 1 1 34 34 LEU H H 34 7.565 7.565 7.491 0.074 19869 5391 1 15 . 1 1 35 35 VAL N N 35 121.579 121.579 121.513 0.066 19869 5392 1 15 . 1 1 35 35 VAL HA H 35 3.333 3.333 3.527 -0.194 19869 5393 1 15 . 1 1 35 35 VAL CA C 35 66.440 66.440 67.438 -0.998 19869 5394 1 15 . 1 1 35 35 VAL CB C 35 31.149 31.149 30.854 0.295 19869 5395 1 15 . 1 1 35 35 VAL H H 35 8.414 8.414 7.420 0.994 19869 5396 1 15 . 1 1 36 36 ALA N N 36 121.368 121.368 121.252 0.116 19869 5397 1 15 . 1 1 36 36 ALA HA H 36 3.794 3.794 4.027 -0.233 19869 5398 1 15 . 1 1 36 36 ALA CA C 36 55.555 55.555 55.185 0.370 19869 5399 1 15 . 1 1 36 36 ALA CB C 36 18.310 18.310 17.924 0.386 19869 5400 1 15 . 1 1 36 36 ALA H H 36 8.791 8.791 8.059 0.732 19869 5401 1 15 . 1 1 37 37 ALA N N 37 119.373 119.373 121.653 -2.280 19869 5402 1 15 . 1 1 37 37 ALA HA H 37 4.305 4.305 4.016 0.289 19869 5403 1 15 . 1 1 37 37 ALA CA C 37 54.825 54.825 55.022 -0.197 19869 5404 1 15 . 1 1 37 37 ALA CB C 37 18.020 18.020 18.469 -0.449 19869 5405 1 15 . 1 1 37 37 ALA H H 37 7.648 7.648 7.943 -0.295 19869 5406 1 15 . 1 1 38 38 PHE N N 38 120.906 120.906 119.278 1.628 19869 5407 1 15 . 1 1 38 38 PHE HA H 38 4.449 4.449 4.204 0.245 19869 5408 1 15 . 1 1 38 38 PHE CA C 38 61.148 61.148 60.992 0.156 19869 5409 1 15 . 1 1 38 38 PHE CB C 38 39.350 39.350 39.410 -0.060 19869 5410 1 15 . 1 1 38 38 PHE H H 38 7.923 7.923 8.207 -0.284 19869 5411 1 15 . 1 1 39 39 VAL N N 39 119.731 119.731 118.590 1.141 19869 5412 1 15 . 1 1 39 39 VAL HA H 39 3.219 3.219 3.388 -0.169 19869 5413 1 15 . 1 1 39 39 VAL CA C 39 67.520 67.520 66.135 1.385 19869 5414 1 15 . 1 1 39 39 VAL CB C 39 32.059 32.059 30.900 1.159 19869 5415 1 15 . 1 1 39 39 VAL H H 39 8.482 8.482 7.800 0.682 19869 5416 1 15 . 1 1 40 40 ASP N N 40 120.200 120.200 120.749 -0.549 19869 5417 1 15 . 1 1 40 40 ASP HA H 40 4.449 4.449 4.360 0.089 19869 5418 1 15 . 1 1 40 40 ASP CA C 40 58.600 58.600 57.876 0.724 19869 5419 1 15 . 1 1 40 40 ASP CB C 40 43.300 43.300 40.843 2.458 19869 5420 1 15 . 1 1 40 40 ASP H H 40 8.851 8.851 8.462 0.389 19869 5421 1 15 . 1 1 41 41 ASP N N 41 120.967 120.967 119.876 1.091 19869 5422 1 15 . 1 1 41 41 ASP HA H 41 4.532 4.532 4.479 0.053 19869 5423 1 15 . 1 1 41 41 ASP CA C 41 57.860 57.860 57.106 0.754 19869 5424 1 15 . 1 1 41 41 ASP CB C 41 40.560 40.560 41.132 -0.572 19869 5425 1 15 . 1 1 41 41 ASP H H 41 8.743 8.743 8.000 0.743 19869 5426 1 15 . 1 1 42 42 LYS N N 42 120.600 120.600 120.388 0.212 19869 5427 1 15 . 1 1 42 42 LYS HA H 42 3.967 3.967 3.975 -0.008 19869 5428 1 15 . 1 1 42 42 LYS CA C 42 57.880 57.880 58.618 -0.738 19869 5429 1 15 . 1 1 42 42 LYS CB C 42 31.440 31.440 32.053 -0.614 19869 5430 1 15 . 1 1 42 42 LYS H H 42 7.990 7.990 7.321 0.669 19869 5431 1 15 . 1 1 43 43 MET N N 43 119.600 119.600 114.282 5.318 19869 5432 1 15 . 1 1 43 43 MET HA H 43 3.957 3.957 4.473 -0.516 19869 5433 1 15 . 1 1 43 43 MET CA C 43 55.600 55.600 58.898 -3.299 19869 5434 1 15 . 1 1 43 43 MET CB C 43 33.950 33.950 31.881 2.069 19869 5435 1 15 . 1 1 43 43 MET H H 43 8.844 8.844 7.772 1.072 19869 5436 1 15 . 1 1 44 44 HIS N N 44 115.981 115.981 121.515 -5.534 19869 5437 1 15 . 1 1 44 44 HIS HA H 44 4.408 4.408 4.350 0.058 19869 5438 1 15 . 1 1 44 44 HIS CA C 44 61.250 61.250 60.832 0.418 19869 5439 1 15 . 1 1 44 44 HIS CB C 44 28.045 28.045 30.584 -2.539 19869 5440 1 15 . 1 1 44 44 HIS H H 44 8.296 8.296 7.853 0.443 19869 5441 1 15 . 1 1 45 45 GLU N N 45 122.501 122.501 117.689 4.812 19869 5442 1 15 . 1 1 45 45 GLU HA H 45 4.034 4.034 4.147 -0.113 19869 5443 1 15 . 1 1 45 45 GLU CA C 45 59.580 59.580 58.346 1.234 19869 5444 1 15 . 1 1 45 45 GLU CB C 45 29.533 29.533 29.054 0.479 19869 5445 1 15 . 1 1 45 45 GLU H H 45 8.399 8.399 7.894 0.505 19869 5446 1 15 . 1 1 46 46 PHE N N 46 118.451 118.451 117.986 0.465 19869 5447 1 15 . 1 1 46 46 PHE HA H 46 4.183 4.183 4.693 -0.510 19869 5448 1 15 . 1 1 46 46 PHE CA C 46 61.689 61.689 59.701 1.988 19869 5449 1 15 . 1 1 46 46 PHE CB C 46 38.979 38.979 39.870 -0.891 19869 5450 1 15 . 1 1 46 46 PHE H H 46 8.320 8.320 7.435 0.885 19869 5451 1 15 . 1 1 47 47 SER N N 47 114.878 114.878 114.538 0.340 19869 5452 1 15 . 1 1 47 47 SER HA H 47 4.111 4.111 4.276 -0.165 19869 5453 1 15 . 1 1 47 47 SER CA C 47 60.281 60.281 61.549 -1.268 19869 5454 1 15 . 1 1 47 47 SER CB C 47 63.321 63.321 63.087 0.233 19869 5455 1 15 . 1 1 47 47 SER H H 47 8.278 8.278 8.062 0.216 19869 5456 1 15 . 1 1 48 48 GLU N N 48 118.579 118.579 117.822 0.757 19869 5457 1 15 . 1 1 48 48 GLU HA H 48 4.059 4.059 4.300 -0.241 19869 5458 1 15 . 1 1 48 48 GLU CA C 48 58.641 58.641 57.821 0.820 19869 5459 1 15 . 1 1 48 48 GLU CB C 48 29.720 29.720 29.517 0.203 19869 5460 1 15 . 1 1 48 48 GLU H H 48 7.651 7.651 7.746 -0.095 19869 5461 1 15 . 1 1 49 49 LYS N N 49 116.048 116.048 118.387 -2.339 19869 5462 1 15 . 1 1 49 49 LYS HA H 49 4.211 4.211 4.183 0.028 19869 5463 1 15 . 1 1 49 49 LYS CA C 49 57.580 57.580 56.929 0.651 19869 5464 1 15 . 1 1 49 49 LYS CB C 49 33.450 33.450 32.825 0.625 19869 5465 1 15 . 1 1 49 49 LYS H H 49 7.281 7.281 7.303 -0.022 19869 5466 1 15 . 1 1 50 50 GLN N N 50 117.953 117.953 116.066 1.887 19869 5467 1 15 . 1 1 50 50 GLN HA H 50 4.249 4.249 4.158 0.091 19869 5468 1 15 . 1 1 50 50 GLN CA C 50 55.610 55.610 55.841 -0.231 19869 5469 1 15 . 1 1 50 50 GLN CB C 50 30.050 30.050 26.770 3.280 19869 5470 1 15 . 1 1 50 50 GLN H H 50 7.930 7.930 7.763 0.167 19869 5471 1 15 . 1 1 51 51 PRO HA H 51 4.597 4.597 4.294 0.303 19869 5472 1 15 . 1 1 51 51 PRO CA C 51 63.600 63.600 65.105 -1.505 19869 5473 1 15 . 1 1 51 51 PRO CB C 51 32.522 32.522 31.926 0.596 19869 5474 1 15 . 1 1 52 52 MET N N 52 115.230 115.230 116.738 -1.508 19869 5475 1 15 . 1 1 52 52 MET HA H 52 4.513 4.513 4.617 -0.104 19869 5476 1 15 . 1 1 52 52 MET CA C 52 55.505 55.505 54.860 0.645 19869 5477 1 15 . 1 1 52 52 MET CB C 52 30.920 30.920 33.128 -2.208 19869 5478 1 15 . 1 1 52 52 MET H H 52 8.558 8.558 7.930 0.628 19869 5479 1 15 . 1 1 53 53 LEU N N 53 120.540 120.540 119.712 0.828 19869 5480 1 15 . 1 1 53 53 LEU HA H 53 4.252 4.252 4.118 0.134 19869 5481 1 15 . 1 1 53 53 LEU CA C 53 55.690 55.690 55.307 0.383 19869 5482 1 15 . 1 1 53 53 LEU CB C 53 42.728 42.728 41.274 1.454 19869 5483 1 15 . 1 1 53 53 LEU H H 53 7.557 7.557 7.853 -0.296 19869 5484 1 15 . 1 1 54 54 ASP N N 54 121.294 121.294 121.501 -0.207 19869 5485 1 15 . 1 1 54 54 ASP HA H 54 4.640 4.640 4.705 -0.065 19869 5486 1 15 . 1 1 54 54 ASP CA C 54 52.280 52.280 53.201 -0.921 19869 5487 1 15 . 1 1 54 54 ASP CB C 54 41.330 41.330 42.998 -1.668 19869 5488 1 15 . 1 1 54 54 ASP H H 54 7.941 7.941 7.868 0.073 19869 5489 1 15 . 1 1 55 55 VAL N N 55 118.701 118.701 125.097 -6.396 19869 5490 1 15 . 1 1 55 55 VAL HA H 55 4.277 4.277 4.033 0.244 19869 5491 1 15 . 1 1 55 55 VAL CA C 55 62.510 62.510 66.340 -3.830 19869 5492 1 15 . 1 1 55 55 VAL CB C 55 29.900 29.900 29.674 0.226 19869 5493 1 15 . 1 1 55 55 VAL H H 55 8.444 8.444 8.493 -0.049 19869 5494 1 15 . 1 1 56 56 PRO HA H 56 3.981 3.981 4.198 -0.217 19869 5495 1 15 . 1 1 56 56 PRO CA C 56 66.840 66.840 66.132 0.707 19869 5496 1 15 . 1 1 56 56 PRO CB C 56 30.875 30.875 31.111 -0.236 19869 5497 1 15 . 1 1 57 57 LYS N N 57 114.335 114.335 116.956 -2.621 19869 5498 1 15 . 1 1 57 57 LYS HA H 57 4.213 4.213 4.094 0.119 19869 5499 1 15 . 1 1 57 57 LYS CA C 57 60.027 60.027 58.490 1.537 19869 5500 1 15 . 1 1 57 57 LYS CB C 57 33.700 33.700 31.689 2.010 19869 5501 1 15 . 1 1 57 57 LYS H H 57 7.224 7.224 8.121 -0.897 19869 5502 1 15 . 1 1 58 58 LEU N N 58 119.010 119.010 120.679 -1.669 19869 5503 1 15 . 1 1 58 58 LEU HA H 58 3.714 3.714 3.990 -0.276 19869 5504 1 15 . 1 1 58 58 LEU CA C 58 57.900 57.900 57.122 0.778 19869 5505 1 15 . 1 1 58 58 LEU CB C 58 42.966 42.966 40.879 2.087 19869 5506 1 15 . 1 1 58 58 LEU H H 58 8.369 8.369 7.571 0.798 19869 5507 1 15 . 1 1 59 59 ALA N N 59 122.559 122.559 122.172 0.387 19869 5508 1 15 . 1 1 59 59 ALA HA H 59 3.720 3.720 3.837 -0.117 19869 5509 1 15 . 1 1 59 59 ALA CA C 59 55.510 55.510 55.021 0.489 19869 5510 1 15 . 1 1 59 59 ALA CB C 59 19.020 19.020 18.178 0.842 19869 5511 1 15 . 1 1 59 59 ALA H H 59 8.686 8.686 8.115 0.571 19869 5512 1 15 . 1 1 60 60 VAL N N 60 118.664 118.664 118.698 -0.034 19869 5513 1 15 . 1 1 60 60 VAL HA H 60 3.251 3.251 3.651 -0.400 19869 5514 1 15 . 1 1 60 60 VAL CA C 60 67.397 67.397 65.258 2.139 19869 5515 1 15 . 1 1 60 60 VAL CB C 60 31.340 31.340 31.864 -0.524 19869 5516 1 15 . 1 1 60 60 VAL H H 60 7.777 7.777 7.457 0.320 19869 5517 1 15 . 1 1 61 61 LEU N N 61 118.415 118.415 119.327 -0.912 19869 5518 1 15 . 1 1 61 61 LEU HA H 61 3.553 3.553 3.900 -0.347 19869 5519 1 15 . 1 1 61 61 LEU CA C 61 58.150 58.150 57.873 0.277 19869 5520 1 15 . 1 1 61 61 LEU CB C 61 40.340 40.340 41.310 -0.970 19869 5521 1 15 . 1 1 61 61 LEU H H 61 8.328 8.328 7.474 0.854 19869 5522 1 15 . 1 1 62 62 THR N N 62 117.416 117.416 112.357 5.059 19869 5523 1 15 . 1 1 62 62 THR HA H 62 4.130 4.130 4.015 0.115 19869 5524 1 15 . 1 1 62 62 THR CA C 62 67.220 67.220 65.159 2.061 19869 5525 1 15 . 1 1 62 62 THR CB C 62 68.364 68.364 68.064 0.300 19869 5526 1 15 . 1 1 62 62 THR H H 62 7.787 7.787 7.445 0.342 19869 5527 1 15 . 1 1 63 63 ALA N N 63 124.319 124.319 124.936 -0.617 19869 5528 1 15 . 1 1 63 63 ALA HA H 63 3.746 3.746 4.071 -0.325 19869 5529 1 15 . 1 1 63 63 ALA CA C 63 56.243 56.243 55.217 1.026 19869 5530 1 15 . 1 1 63 63 ALA CB C 63 17.121 17.121 17.856 -0.735 19869 5531 1 15 . 1 1 63 63 ALA H H 63 8.175 8.175 7.372 0.803 19869 5532 1 15 . 1 1 64 64 VAL N N 64 116.756 116.756 118.346 -1.590 19869 5533 1 15 . 1 1 64 64 VAL HA H 64 3.324 3.324 3.682 -0.358 19869 5534 1 15 . 1 1 64 64 VAL CA C 64 66.543 66.543 65.413 1.130 19869 5535 1 15 . 1 1 64 64 VAL CB C 64 31.340 31.340 31.715 -0.375 19869 5536 1 15 . 1 1 64 64 VAL H H 64 8.422 8.422 7.508 0.914 19869 5537 1 15 . 1 1 65 65 GLN N N 65 120.091 120.091 120.306 -0.215 19869 5538 1 15 . 1 1 65 65 GLN HA H 65 4.015 4.015 4.100 -0.085 19869 5539 1 15 . 1 1 65 65 GLN CA C 65 59.290 59.290 59.049 0.241 19869 5540 1 15 . 1 1 65 65 GLN CB C 65 28.450 28.450 28.899 -0.449 19869 5541 1 15 . 1 1 65 65 GLN H H 65 7.924 7.924 7.386 0.538 19869 5542 1 15 . 1 1 66 66 ILE N N 66 118.358 118.358 120.087 -1.729 19869 5543 1 15 . 1 1 66 66 ILE HA H 66 3.526 3.526 3.802 -0.276 19869 5544 1 15 . 1 1 66 66 ILE CA C 66 65.305 65.305 65.066 0.239 19869 5545 1 15 . 1 1 66 66 ILE H H 66 8.441 8.441 8.621 -0.180 19869 5546 1 15 . 1 1 67 67 ALA N N 67 121.518 121.518 121.583 -0.065 19869 5547 1 15 . 1 1 67 67 ALA HA H 67 4.025 4.025 4.026 -0.001 19869 5548 1 15 . 1 1 67 67 ALA CA C 67 55.501 55.501 55.473 0.028 19869 5549 1 15 . 1 1 67 67 ALA CB C 67 19.668 19.668 17.908 1.760 19869 5550 1 15 . 1 1 67 67 ALA H H 67 8.947 8.947 8.003 0.944 19869 5551 1 15 . 1 1 68 68 SER N N 68 112.523 112.523 112.491 0.032 19869 5552 1 15 . 1 1 68 68 SER HA H 68 4.174 4.174 4.163 0.011 19869 5553 1 15 . 1 1 68 68 SER CA C 68 61.429 61.429 61.268 0.161 19869 5554 1 15 . 1 1 68 68 SER CB C 68 63.011 63.011 62.961 0.050 19869 5555 1 15 . 1 1 68 68 SER H H 68 8.492 8.492 8.155 0.337 19869 5556 1 15 . 1 1 69 69 GLU N N 69 117.397 117.397 121.728 -4.331 19869 5557 1 15 . 1 1 69 69 GLU HA H 69 3.998 3.998 4.125 -0.127 19869 5558 1 15 . 1 1 69 69 GLU CA C 69 59.181 59.181 59.220 -0.039 19869 5559 1 15 . 1 1 69 69 GLU CB C 69 28.760 28.760 29.892 -1.132 19869 5560 1 15 . 1 1 69 69 GLU H H 69 7.579 7.579 7.622 -0.043 19869 5561 1 15 . 1 1 70 70 TYR N N 70 120.853 120.853 120.589 0.264 19869 5562 1 15 . 1 1 70 70 TYR HA H 70 4.352 4.352 4.339 0.013 19869 5563 1 15 . 1 1 70 70 TYR CA C 70 60.530 60.530 61.708 -1.178 19869 5564 1 15 . 1 1 70 70 TYR CB C 70 38.480 38.480 38.515 -0.035 19869 5565 1 15 . 1 1 70 70 TYR H H 70 8.635 8.635 8.242 0.393 19869 5566 1 15 . 1 1 71 71 LEU N N 71 119.400 119.400 118.811 0.589 19869 5567 1 15 . 1 1 71 71 LEU HA H 71 3.554 3.554 3.989 -0.435 19869 5568 1 15 . 1 1 71 71 LEU CA C 71 58.368 58.368 57.838 0.530 19869 5569 1 15 . 1 1 71 71 LEU CB C 71 40.564 40.564 41.659 -1.095 19869 5570 1 15 . 1 1 71 71 LEU H H 71 8.836 8.836 8.778 0.058 19869 5571 1 15 . 1 1 72 72 LYS N N 72 119.127 119.127 118.397 0.730 19869 5572 1 15 . 1 1 72 72 LYS HA H 72 4.095 4.095 4.117 -0.022 19869 5573 1 15 . 1 1 72 72 LYS CA C 72 59.780 59.780 58.922 0.857 19869 5574 1 15 . 1 1 72 72 LYS CB C 72 32.640 32.640 32.241 0.399 19869 5575 1 15 . 1 1 72 72 LYS H H 72 7.957 7.957 7.468 0.489 19869 5576 1 15 . 1 1 73 73 LEU N N 73 122.487 122.487 121.674 0.813 19869 5577 1 15 . 1 1 73 73 LEU HA H 73 4.127 4.127 4.172 -0.045 19869 5578 1 15 . 1 1 73 73 LEU CA C 73 57.340 57.340 58.167 -0.827 19869 5579 1 15 . 1 1 73 73 LEU CB C 73 41.020 41.020 41.696 -0.676 19869 5580 1 15 . 1 1 73 73 LEU H H 73 8.033 8.033 7.670 0.363 19869 5581 1 15 . 1 1 74 74 LYS N N 74 120.309 120.309 116.779 3.530 19869 5582 1 15 . 1 1 74 74 LYS HA H 74 3.759 3.759 4.191 -0.432 19869 5583 1 15 . 1 1 74 74 LYS CA C 74 60.700 60.700 59.128 1.572 19869 5584 1 15 . 1 1 74 74 LYS CB C 74 32.140 32.140 32.002 0.138 19869 5585 1 15 . 1 1 74 74 LYS H H 74 8.750 8.750 7.960 0.790 19869 5586 1 15 . 1 1 75 75 GLU N N 75 118.296 118.296 120.746 -2.450 19869 5587 1 15 . 1 1 75 75 GLU HA H 75 4.098 4.098 4.193 -0.095 19869 5588 1 15 . 1 1 75 75 GLU CA C 75 59.330 59.330 58.970 0.360 19869 5589 1 15 . 1 1 75 75 GLU CB C 75 29.500 29.500 29.599 -0.099 19869 5590 1 15 . 1 1 75 75 GLU H H 75 7.274 7.274 7.782 -0.508 19869 5591 1 15 . 1 1 76 76 GLU N N 76 120.788 120.788 119.994 0.794 19869 5592 1 15 . 1 1 76 76 GLU HA H 76 4.152 4.152 4.028 0.124 19869 5593 1 15 . 1 1 76 76 GLU CA C 76 59.082 59.082 59.200 -0.118 19869 5594 1 15 . 1 1 76 76 GLU CB C 76 29.235 29.235 28.979 0.256 19869 5595 1 15 . 1 1 76 76 GLU H H 76 7.756 7.756 8.476 -0.720 19869 5596 1 15 . 1 1 77 77 TYR N N 77 121.399 121.399 122.142 -0.743 19869 5597 1 15 . 1 1 77 77 TYR HA H 77 4.210 4.210 4.125 0.085 19869 5598 1 15 . 1 1 77 77 TYR CA C 77 61.704 61.704 61.114 0.590 19869 5599 1 15 . 1 1 77 77 TYR CB C 77 38.889 38.889 38.238 0.651 19869 5600 1 15 . 1 1 77 77 TYR H H 77 9.401 9.401 7.661 1.740 19869 5601 1 15 . 1 1 78 78 GLN N N 78 118.068 118.068 116.948 1.120 19869 5602 1 15 . 1 1 78 78 GLN HA H 78 3.784 3.784 3.704 0.080 19869 5603 1 15 . 1 1 78 78 GLN CA C 78 58.915 58.915 58.638 0.278 19869 5604 1 15 . 1 1 78 78 GLN CB C 78 27.880 27.880 27.708 0.172 19869 5605 1 15 . 1 1 78 78 GLN H H 78 8.169 8.169 8.015 0.154 19869 5606 1 15 . 1 1 79 79 ARG N N 79 118.446 118.446 121.503 -3.057 19869 5607 1 15 . 1 1 79 79 ARG HA H 79 4.045 4.045 4.322 -0.277 19869 5608 1 15 . 1 1 79 79 ARG CA C 79 59.310 59.310 58.113 1.197 19869 5609 1 15 . 1 1 79 79 ARG CB C 79 30.220 30.220 29.651 0.569 19869 5610 1 15 . 1 1 79 79 ARG H H 79 7.814 7.814 7.446 0.368 19869 5611 1 15 . 1 1 80 80 LEU N N 80 121.039 121.039 120.269 0.770 19869 5612 1 15 . 1 1 80 80 LEU HA H 80 4.130 4.130 4.055 0.075 19869 5613 1 15 . 1 1 80 80 LEU CA C 80 57.689 57.689 58.192 -0.503 19869 5614 1 15 . 1 1 80 80 LEU CB C 80 41.670 41.670 41.904 -0.234 19869 5615 1 15 . 1 1 80 80 LEU H H 80 7.989 7.989 8.394 -0.405 19869 5616 1 15 . 1 1 81 81 ARG N N 81 117.498 117.498 117.630 -0.132 19869 5617 1 15 . 1 1 81 81 ARG HA H 81 3.717 3.717 3.964 -0.247 19869 5618 1 15 . 1 1 81 81 ARG CA C 81 59.030 59.030 59.169 -0.140 19869 5619 1 15 . 1 1 81 81 ARG CB C 81 29.500 29.500 29.759 -0.259 19869 5620 1 15 . 1 1 81 81 ARG H H 81 8.241 8.241 8.058 0.183 19869 5621 1 15 . 1 1 82 82 GLU N N 82 117.300 117.300 119.785 -2.485 19869 5622 1 15 . 1 1 82 82 GLU HA H 82 4.060 4.060 3.997 0.063 19869 5623 1 15 . 1 1 82 82 GLU CA C 82 58.205 58.205 59.152 -0.947 19869 5624 1 15 . 1 1 82 82 GLU CB C 82 29.539 29.539 28.809 0.730 19869 5625 1 15 . 1 1 82 82 GLU H H 82 7.671 7.671 8.216 -0.545 19869 5626 1 15 . 1 1 83 83 GLN N N 83 117.205 117.205 119.242 -2.037 19869 5627 1 15 . 1 1 83 83 GLN HA H 83 4.192 4.192 4.093 0.099 19869 5628 1 15 . 1 1 83 83 GLN CA C 83 56.940 56.940 58.496 -1.556 19869 5629 1 15 . 1 1 83 83 GLN CB C 83 29.110 29.110 28.754 0.356 19869 5630 1 15 . 1 1 83 83 GLN H H 83 7.745 7.745 7.926 -0.181 19869 5631 1 15 . 1 1 84 84 LEU N N 84 120.465 120.465 117.969 2.496 19869 5632 1 15 . 1 1 84 84 LEU HA H 84 4.301 4.301 4.181 0.120 19869 5633 1 15 . 1 1 84 84 LEU CA C 84 55.180 55.180 56.468 -1.288 19869 5634 1 15 . 1 1 84 84 LEU CB C 84 42.190 42.190 42.335 -0.145 19869 5635 1 15 . 1 1 84 84 LEU H H 84 7.500 7.500 7.267 0.233 19869 5636 1 15 . 1 1 85 85 LYS N N 85 126.524 126.524 118.566 7.958 19869 5637 1 15 . 1 1 85 85 LYS HA H 85 4.063 4.063 4.099 -0.036 19869 5638 1 15 . 1 1 85 85 LYS CA C 85 57.499 57.499 58.242 -0.743 19869 5639 1 15 . 1 1 85 85 LYS CB C 85 33.640 33.640 32.961 0.679 19869 5640 1 15 . 1 1 85 85 LYS H H 85 7.525 7.525 7.772 -0.247 19869 5641 1 16 . 1 1 8 8 PRO HA H 8 4.396 4.396 4.592 -0.196 19869 5642 1 16 . 1 1 8 8 PRO CA C 8 63.046 63.046 61.917 1.129 19869 5643 1 16 . 1 1 8 8 PRO CB C 8 32.151 32.151 32.543 -0.392 19869 5644 1 16 . 1 1 9 9 LYS N N 9 121.282 121.282 120.071 1.211 19869 5645 1 16 . 1 1 9 9 LYS HA H 9 4.373 4.373 4.144 0.229 19869 5646 1 16 . 1 1 9 9 LYS CA C 9 56.140 56.140 56.772 -0.632 19869 5647 1 16 . 1 1 9 9 LYS CB C 9 33.680 33.680 31.253 2.427 19869 5648 1 16 . 1 1 9 9 LYS H H 9 8.363 8.363 8.358 0.005 19869 5649 1 16 . 1 1 10 10 THR N N 10 117.787 117.787 117.530 0.257 19869 5650 1 16 . 1 1 10 10 THR HA H 10 4.357 4.357 4.380 -0.023 19869 5651 1 16 . 1 1 10 10 THR CA C 10 61.620 61.620 61.146 0.474 19869 5652 1 16 . 1 1 10 10 THR CB C 10 70.393 70.393 70.221 0.172 19869 5653 1 16 . 1 1 10 10 THR H H 10 8.675 8.675 8.212 0.463 19869 5654 1 16 . 1 1 11 11 ARG N N 11 123.980 123.980 123.823 0.157 19869 5655 1 16 . 1 1 11 11 ARG HA H 11 5.043 5.043 5.276 -0.233 19869 5656 1 16 . 1 1 11 11 ARG CA C 11 55.142 55.142 54.697 0.445 19869 5657 1 16 . 1 1 11 11 ARG CB C 11 32.130 32.130 32.627 -0.497 19869 5658 1 16 . 1 1 11 11 ARG H H 11 8.322 8.322 8.355 -0.033 19869 5659 1 16 . 1 1 12 12 VAL N N 12 124.311 124.311 120.752 3.559 19869 5660 1 16 . 1 1 12 12 VAL HA H 12 4.410 4.410 4.471 -0.061 19869 5661 1 16 . 1 1 12 12 VAL CA C 12 60.866 60.866 60.039 0.827 19869 5662 1 16 . 1 1 12 12 VAL CB C 12 35.447 35.447 36.230 -0.783 19869 5663 1 16 . 1 1 12 12 VAL H H 12 8.853 8.853 9.118 -0.265 19869 5664 1 16 . 1 1 13 13 SER N N 13 122.286 122.286 123.208 -0.922 19869 5665 1 16 . 1 1 13 13 SER HA H 13 5.435 5.435 5.300 0.135 19869 5666 1 16 . 1 1 13 13 SER CA C 13 57.199 57.199 57.431 -0.232 19869 5667 1 16 . 1 1 13 13 SER CB C 13 63.535 63.535 64.007 -0.472 19869 5668 1 16 . 1 1 13 13 SER H H 13 8.581 8.581 8.519 0.062 19869 5669 1 16 . 1 1 14 14 VAL N N 14 119.340 119.340 121.082 -1.742 19869 5670 1 16 . 1 1 14 14 VAL HA H 14 4.491 4.491 4.718 -0.227 19869 5671 1 16 . 1 1 14 14 VAL CA C 14 56.271 56.271 59.446 -3.175 19869 5672 1 16 . 1 1 14 14 VAL CB C 14 35.709 35.709 35.181 0.528 19869 5673 1 16 . 1 1 14 14 VAL H H 14 9.154 9.154 9.083 0.071 19869 5674 1 16 . 1 1 15 15 ARG N N 15 123.689 123.689 124.645 -0.956 19869 5675 1 16 . 1 1 15 15 ARG HA H 15 5.333 5.333 4.739 0.594 19869 5676 1 16 . 1 1 15 15 ARG CA C 15 54.830 54.830 55.446 -0.616 19869 5677 1 16 . 1 1 15 15 ARG CB C 15 31.780 31.780 31.008 0.772 19869 5678 1 16 . 1 1 15 15 ARG H H 15 8.467 8.467 8.506 -0.039 19869 5679 1 16 . 1 1 16 16 ILE N N 16 125.117 125.117 125.260 -0.143 19869 5680 1 16 . 1 1 16 16 ILE HA H 16 4.189 4.189 4.293 -0.104 19869 5681 1 16 . 1 1 16 16 ILE CA C 16 61.240 61.240 60.827 0.413 19869 5682 1 16 . 1 1 16 16 ILE CB C 16 41.680 41.680 41.156 0.524 19869 5683 1 16 . 1 1 16 16 ILE H H 16 9.174 9.174 8.656 0.518 19869 5684 1 16 . 1 1 17 17 TYR N N 17 137.064 137.064 128.601 8.463 19869 5685 1 16 . 1 1 17 17 TYR HA H 17 3.836 3.836 4.078 -0.242 19869 5686 1 16 . 1 1 17 17 TYR CA C 17 59.876 59.876 59.922 -0.046 19869 5687 1 16 . 1 1 17 17 TYR CB C 17 39.379 39.379 37.047 2.332 19869 5688 1 16 . 1 1 17 17 TYR H H 17 10.623 10.623 9.825 0.798 19869 5689 1 16 . 1 1 18 18 GLY N N 18 102.991 102.991 105.116 -2.125 19869 5690 1 16 . 1 1 18 18 GLY CA C 18 45.674 45.674 45.065 0.609 19869 5691 1 16 . 1 1 18 18 GLY H H 18 8.604 8.604 8.531 0.073 19869 5692 1 16 . 1 1 19 19 GLN N N 19 119.104 119.104 121.501 -2.397 19869 5693 1 16 . 1 1 19 19 GLN HA H 19 4.566 4.566 4.485 0.081 19869 5694 1 16 . 1 1 19 19 GLN CA C 19 53.719 53.719 55.141 -1.422 19869 5695 1 16 . 1 1 19 19 GLN CB C 19 32.230 32.230 30.359 1.871 19869 5696 1 16 . 1 1 19 19 GLN H H 19 7.724 7.724 7.928 -0.204 19869 5697 1 16 . 1 1 20 20 ASP N N 20 121.913 121.913 119.305 2.608 19869 5698 1 16 . 1 1 20 20 ASP HA H 20 5.340 5.340 5.186 0.154 19869 5699 1 16 . 1 1 20 20 ASP CA C 20 54.370 54.370 52.811 1.559 19869 5700 1 16 . 1 1 20 20 ASP CB C 20 42.600 42.600 42.829 -0.229 19869 5701 1 16 . 1 1 20 20 ASP H H 20 8.217 8.217 8.385 -0.168 19869 5702 1 16 . 1 1 21 21 TYR N N 21 120.801 120.801 120.309 0.492 19869 5703 1 16 . 1 1 21 21 TYR HA H 21 4.538 4.538 4.868 -0.330 19869 5704 1 16 . 1 1 21 21 TYR CA C 21 57.640 57.640 55.867 1.774 19869 5705 1 16 . 1 1 21 21 TYR CB C 21 42.201 42.201 41.514 0.687 19869 5706 1 16 . 1 1 21 21 TYR H H 21 9.330 9.330 8.920 0.410 19869 5707 1 16 . 1 1 22 22 THR N N 22 118.813 118.813 120.973 -2.160 19869 5708 1 16 . 1 1 22 22 THR HA H 22 4.390 4.390 5.140 -0.750 19869 5709 1 16 . 1 1 22 22 THR CA C 22 63.230 63.230 61.904 1.326 19869 5710 1 16 . 1 1 22 22 THR CB C 22 69.380 69.380 69.520 -0.140 19869 5711 1 16 . 1 1 22 22 THR H H 22 8.888 8.888 8.580 0.308 19869 5712 1 16 . 1 1 23 23 ILE N N 23 129.291 129.291 123.787 5.504 19869 5713 1 16 . 1 1 23 23 ILE HA H 23 4.268 4.268 4.746 -0.478 19869 5714 1 16 . 1 1 23 23 ILE CA C 23 59.121 59.121 58.737 0.384 19869 5715 1 16 . 1 1 23 23 ILE CB C 23 37.060 37.060 40.866 -3.806 19869 5716 1 16 . 1 1 23 23 ILE H H 23 9.212 9.212 9.259 -0.047 19869 5717 1 16 . 1 1 24 24 VAL N N 24 127.112 127.112 120.748 6.364 19869 5718 1 16 . 1 1 24 24 VAL HA H 24 5.073 5.073 4.483 0.590 19869 5719 1 16 . 1 1 24 24 VAL CA C 24 60.246 60.246 62.525 -2.279 19869 5720 1 16 . 1 1 24 24 VAL CB C 24 33.415 33.415 30.902 2.513 19869 5721 1 16 . 1 1 24 24 VAL H H 24 8.345 8.345 8.494 -0.149 19869 5722 1 16 . 1 1 25 25 GLY N N 25 113.745 113.745 116.406 -2.661 19869 5723 1 16 . 1 1 25 25 GLY CA C 25 45.920 45.920 44.292 1.628 19869 5724 1 16 . 1 1 25 25 GLY H H 25 8.540 8.540 8.496 0.044 19869 5725 1 16 . 1 1 26 26 ALA N N 26 123.321 123.321 127.046 -3.725 19869 5726 1 16 . 1 1 26 26 ALA HA H 26 4.644 4.644 4.331 0.313 19869 5727 1 16 . 1 1 26 26 ALA CA C 26 51.639 51.639 53.278 -1.639 19869 5728 1 16 . 1 1 26 26 ALA CB C 26 19.725 19.725 19.290 0.435 19869 5729 1 16 . 1 1 26 26 ALA H H 26 8.593 8.593 8.218 0.375 19869 5730 1 16 . 1 1 27 27 GLU N N 27 118.135 118.135 119.822 -1.687 19869 5731 1 16 . 1 1 27 27 GLU HA H 27 4.302 4.302 4.191 0.111 19869 5732 1 16 . 1 1 27 27 GLU CA C 27 55.670 55.670 58.127 -2.458 19869 5733 1 16 . 1 1 27 27 GLU CB C 27 30.724 30.724 29.761 0.963 19869 5734 1 16 . 1 1 27 27 GLU H H 27 8.120 8.120 8.729 -0.609 19869 5735 1 16 . 1 1 28 28 SER N N 28 115.651 115.651 110.887 4.764 19869 5736 1 16 . 1 1 28 28 SER HA H 28 4.700 4.700 4.773 -0.073 19869 5737 1 16 . 1 1 28 28 SER CA C 28 56.044 56.044 56.605 -0.562 19869 5738 1 16 . 1 1 28 28 SER H H 28 8.723 8.723 7.804 0.919 19869 5739 1 16 . 1 1 29 29 PRO HA H 29 4.111 4.111 4.352 -0.241 19869 5740 1 16 . 1 1 29 29 PRO CA C 29 65.792 65.792 65.161 0.631 19869 5741 1 16 . 1 1 29 29 PRO CB C 29 31.750 31.750 31.941 -0.191 19869 5742 1 16 . 1 1 30 30 ALA N N 30 117.252 117.252 117.394 -0.142 19869 5743 1 16 . 1 1 30 30 ALA HA H 30 4.028 4.028 4.392 -0.364 19869 5744 1 16 . 1 1 30 30 ALA CA C 30 55.258 55.258 53.159 2.099 19869 5745 1 16 . 1 1 30 30 ALA CB C 30 18.240 18.240 18.366 -0.126 19869 5746 1 16 . 1 1 30 30 ALA H H 30 7.994 7.994 8.284 -0.290 19869 5747 1 16 . 1 1 31 31 HIS N N 31 119.161 119.161 119.581 -0.420 19869 5748 1 16 . 1 1 31 31 HIS HA H 31 4.278 4.278 4.443 -0.165 19869 5749 1 16 . 1 1 31 31 HIS CA C 31 59.697 59.697 59.544 0.153 19869 5750 1 16 . 1 1 31 31 HIS CB C 31 30.320 30.320 30.887 -0.567 19869 5751 1 16 . 1 1 31 31 HIS H H 31 7.902 7.902 7.600 0.302 19869 5752 1 16 . 1 1 32 32 ILE N N 32 118.000 118.000 117.153 0.847 19869 5753 1 16 . 1 1 32 32 ILE HA H 32 3.478 3.478 4.043 -0.565 19869 5754 1 16 . 1 1 32 32 ILE CA C 32 63.480 63.480 62.989 0.491 19869 5755 1 16 . 1 1 32 32 ILE CB C 32 36.290 36.290 37.407 -1.117 19869 5756 1 16 . 1 1 32 32 ILE H H 32 8.092 8.092 7.711 0.381 19869 5757 1 16 . 1 1 33 33 ARG N N 33 118.612 118.612 121.168 -2.556 19869 5758 1 16 . 1 1 33 33 ARG HA H 33 3.911 3.911 4.153 -0.242 19869 5759 1 16 . 1 1 33 33 ARG CA C 33 60.741 60.741 59.336 1.405 19869 5760 1 16 . 1 1 33 33 ARG CB C 33 29.839 29.839 30.059 -0.220 19869 5761 1 16 . 1 1 33 33 ARG H H 33 8.436 8.436 7.933 0.503 19869 5762 1 16 . 1 1 34 34 LEU N N 34 122.935 122.935 118.825 4.110 19869 5763 1 16 . 1 1 34 34 LEU HA H 34 4.154 4.154 4.144 0.010 19869 5764 1 16 . 1 1 34 34 LEU CA C 34 57.400 57.400 57.298 0.102 19869 5765 1 16 . 1 1 34 34 LEU CB C 34 41.998 41.998 41.889 0.109 19869 5766 1 16 . 1 1 34 34 LEU H H 34 7.565 7.565 7.577 -0.012 19869 5767 1 16 . 1 1 35 35 VAL N N 35 121.579 121.579 118.919 2.660 19869 5768 1 16 . 1 1 35 35 VAL HA H 35 3.333 3.333 3.799 -0.466 19869 5769 1 16 . 1 1 35 35 VAL CA C 35 66.440 66.440 66.546 -0.106 19869 5770 1 16 . 1 1 35 35 VAL CB C 35 31.149 31.149 30.910 0.239 19869 5771 1 16 . 1 1 35 35 VAL H H 35 8.414 8.414 7.732 0.682 19869 5772 1 16 . 1 1 36 36 ALA N N 36 121.368 121.368 122.445 -1.077 19869 5773 1 16 . 1 1 36 36 ALA HA H 36 3.794 3.794 4.079 -0.285 19869 5774 1 16 . 1 1 36 36 ALA CA C 36 55.555 55.555 55.370 0.185 19869 5775 1 16 . 1 1 36 36 ALA CB C 36 18.310 18.310 17.894 0.416 19869 5776 1 16 . 1 1 36 36 ALA H H 36 8.791 8.791 7.497 1.294 19869 5777 1 16 . 1 1 37 37 ALA N N 37 119.373 119.373 120.569 -1.196 19869 5778 1 16 . 1 1 37 37 ALA HA H 37 4.305 4.305 4.101 0.204 19869 5779 1 16 . 1 1 37 37 ALA CA C 37 54.825 54.825 54.636 0.189 19869 5780 1 16 . 1 1 37 37 ALA CB C 37 18.020 18.020 18.596 -0.576 19869 5781 1 16 . 1 1 37 37 ALA H H 37 7.648 7.648 7.702 -0.054 19869 5782 1 16 . 1 1 38 38 PHE N N 38 120.906 120.906 120.320 0.586 19869 5783 1 16 . 1 1 38 38 PHE HA H 38 4.449 4.449 4.289 0.160 19869 5784 1 16 . 1 1 38 38 PHE CA C 38 61.148 61.148 60.148 1.000 19869 5785 1 16 . 1 1 38 38 PHE CB C 38 39.350 39.350 39.411 -0.061 19869 5786 1 16 . 1 1 38 38 PHE H H 38 7.923 7.923 7.946 -0.023 19869 5787 1 16 . 1 1 39 39 VAL N N 39 119.731 119.731 118.790 0.941 19869 5788 1 16 . 1 1 39 39 VAL HA H 39 3.219 3.219 3.372 -0.153 19869 5789 1 16 . 1 1 39 39 VAL CA C 39 67.520 67.520 66.464 1.056 19869 5790 1 16 . 1 1 39 39 VAL CB C 39 32.059 32.059 30.869 1.190 19869 5791 1 16 . 1 1 39 39 VAL H H 39 8.482 8.482 8.549 -0.067 19869 5792 1 16 . 1 1 40 40 ASP N N 40 120.200 120.200 120.061 0.139 19869 5793 1 16 . 1 1 40 40 ASP HA H 40 4.449 4.449 4.458 -0.009 19869 5794 1 16 . 1 1 40 40 ASP CA C 40 58.600 58.600 57.961 0.639 19869 5795 1 16 . 1 1 40 40 ASP CB C 40 43.300 43.300 41.065 2.235 19869 5796 1 16 . 1 1 40 40 ASP H H 40 8.851 8.851 8.181 0.670 19869 5797 1 16 . 1 1 41 41 ASP N N 41 120.967 120.967 120.467 0.500 19869 5798 1 16 . 1 1 41 41 ASP HA H 41 4.532 4.532 4.447 0.084 19869 5799 1 16 . 1 1 41 41 ASP CA C 41 57.860 57.860 57.116 0.744 19869 5800 1 16 . 1 1 41 41 ASP CB C 41 40.560 40.560 41.099 -0.539 19869 5801 1 16 . 1 1 41 41 ASP H H 41 8.743 8.743 7.878 0.865 19869 5802 1 16 . 1 1 42 42 LYS N N 42 120.600 120.600 119.344 1.256 19869 5803 1 16 . 1 1 42 42 LYS HA H 42 3.967 3.967 4.032 -0.065 19869 5804 1 16 . 1 1 42 42 LYS CA C 42 57.880 57.880 59.400 -1.520 19869 5805 1 16 . 1 1 42 42 LYS CB C 42 31.440 31.440 32.383 -0.942 19869 5806 1 16 . 1 1 42 42 LYS H H 42 7.990 7.990 7.585 0.405 19869 5807 1 16 . 1 1 43 43 MET N N 43 119.600 119.600 117.466 2.134 19869 5808 1 16 . 1 1 43 43 MET HA H 43 3.957 3.957 4.151 -0.194 19869 5809 1 16 . 1 1 43 43 MET CA C 43 55.600 55.600 59.542 -3.942 19869 5810 1 16 . 1 1 43 43 MET CB C 43 33.950 33.950 32.436 1.514 19869 5811 1 16 . 1 1 43 43 MET H H 43 8.844 8.844 8.485 0.359 19869 5812 1 16 . 1 1 44 44 HIS N N 44 115.981 115.981 118.711 -2.730 19869 5813 1 16 . 1 1 44 44 HIS HA H 44 4.408 4.408 4.397 0.011 19869 5814 1 16 . 1 1 44 44 HIS CA C 44 61.250 61.250 61.013 0.237 19869 5815 1 16 . 1 1 44 44 HIS CB C 44 28.045 28.045 29.923 -1.878 19869 5816 1 16 . 1 1 44 44 HIS H H 44 8.296 8.296 8.007 0.289 19869 5817 1 16 . 1 1 45 45 GLU N N 45 122.501 122.501 119.454 3.047 19869 5818 1 16 . 1 1 45 45 GLU HA H 45 4.034 4.034 4.087 -0.053 19869 5819 1 16 . 1 1 45 45 GLU CA C 45 59.580 59.580 58.916 0.664 19869 5820 1 16 . 1 1 45 45 GLU CB C 45 29.533 29.533 29.073 0.460 19869 5821 1 16 . 1 1 45 45 GLU H H 45 8.399 8.399 8.114 0.285 19869 5822 1 16 . 1 1 46 46 PHE N N 46 118.451 118.451 120.200 -1.749 19869 5823 1 16 . 1 1 46 46 PHE HA H 46 4.183 4.183 4.503 -0.320 19869 5824 1 16 . 1 1 46 46 PHE CA C 46 61.689 61.689 61.088 0.601 19869 5825 1 16 . 1 1 46 46 PHE CB C 46 38.979 38.979 38.925 0.054 19869 5826 1 16 . 1 1 46 46 PHE H H 46 8.320 8.320 8.058 0.262 19869 5827 1 16 . 1 1 47 47 SER N N 47 114.878 114.878 113.747 1.131 19869 5828 1 16 . 1 1 47 47 SER HA H 47 4.111 4.111 4.247 -0.136 19869 5829 1 16 . 1 1 47 47 SER CA C 47 60.281 60.281 61.666 -1.385 19869 5830 1 16 . 1 1 47 47 SER CB C 47 63.321 63.321 62.708 0.613 19869 5831 1 16 . 1 1 47 47 SER H H 47 8.278 8.278 8.199 0.079 19869 5832 1 16 . 1 1 48 48 GLU N N 48 118.579 118.579 119.175 -0.596 19869 5833 1 16 . 1 1 48 48 GLU HA H 48 4.059 4.059 4.202 -0.143 19869 5834 1 16 . 1 1 48 48 GLU CA C 48 58.641 58.641 58.396 0.245 19869 5835 1 16 . 1 1 48 48 GLU CB C 48 29.720 29.720 30.047 -0.327 19869 5836 1 16 . 1 1 48 48 GLU H H 48 7.651 7.651 7.616 0.035 19869 5837 1 16 . 1 1 49 49 LYS N N 49 116.048 116.048 117.697 -1.649 19869 5838 1 16 . 1 1 49 49 LYS HA H 49 4.211 4.211 4.308 -0.097 19869 5839 1 16 . 1 1 49 49 LYS CA C 49 57.580 57.580 56.301 1.279 19869 5840 1 16 . 1 1 49 49 LYS CB C 49 33.450 33.450 33.139 0.311 19869 5841 1 16 . 1 1 49 49 LYS H H 49 7.281 7.281 7.451 -0.170 19869 5842 1 16 . 1 1 50 50 GLN N N 50 117.953 117.953 117.071 0.882 19869 5843 1 16 . 1 1 50 50 GLN HA H 50 4.249 4.249 4.107 0.142 19869 5844 1 16 . 1 1 50 50 GLN CA C 50 55.610 55.610 55.602 0.008 19869 5845 1 16 . 1 1 50 50 GLN CB C 50 30.050 30.050 27.749 2.301 19869 5846 1 16 . 1 1 50 50 GLN H H 50 7.930 7.930 8.128 -0.198 19869 5847 1 16 . 1 1 51 51 PRO HA H 51 4.597 4.597 4.268 0.329 19869 5848 1 16 . 1 1 51 51 PRO CA C 51 63.600 63.600 65.038 -1.438 19869 5849 1 16 . 1 1 51 51 PRO CB C 51 32.522 32.522 32.116 0.406 19869 5850 1 16 . 1 1 52 52 MET N N 52 115.230 115.230 116.591 -1.361 19869 5851 1 16 . 1 1 52 52 MET HA H 52 4.513 4.513 4.608 -0.095 19869 5852 1 16 . 1 1 52 52 MET CA C 52 55.505 55.505 54.583 0.922 19869 5853 1 16 . 1 1 52 52 MET CB C 52 30.920 30.920 32.951 -2.031 19869 5854 1 16 . 1 1 52 52 MET H H 52 8.558 8.558 7.843 0.715 19869 5855 1 16 . 1 1 53 53 LEU N N 53 120.540 120.540 119.675 0.865 19869 5856 1 16 . 1 1 53 53 LEU HA H 53 4.252 4.252 4.196 0.056 19869 5857 1 16 . 1 1 53 53 LEU CA C 53 55.690 55.690 55.530 0.160 19869 5858 1 16 . 1 1 53 53 LEU CB C 53 42.728 42.728 40.942 1.786 19869 5859 1 16 . 1 1 53 53 LEU H H 53 7.557 7.557 7.683 -0.126 19869 5860 1 16 . 1 1 54 54 ASP N N 54 121.294 121.294 119.163 2.131 19869 5861 1 16 . 1 1 54 54 ASP HA H 54 4.640 4.640 4.745 -0.105 19869 5862 1 16 . 1 1 54 54 ASP CA C 54 52.280 52.280 53.092 -0.812 19869 5863 1 16 . 1 1 54 54 ASP CB C 54 41.330 41.330 42.950 -1.619 19869 5864 1 16 . 1 1 54 54 ASP H H 54 7.941 7.941 7.894 0.047 19869 5865 1 16 . 1 1 55 55 VAL N N 55 118.701 118.701 125.052 -6.351 19869 5866 1 16 . 1 1 55 55 VAL HA H 55 4.277 4.277 3.895 0.382 19869 5867 1 16 . 1 1 55 55 VAL CA C 55 62.510 62.510 66.244 -3.734 19869 5868 1 16 . 1 1 55 55 VAL CB C 55 29.900 29.900 29.711 0.189 19869 5869 1 16 . 1 1 55 55 VAL H H 55 8.444 8.444 8.618 -0.174 19869 5870 1 16 . 1 1 56 56 PRO HA H 56 3.981 3.981 4.140 -0.159 19869 5871 1 16 . 1 1 56 56 PRO CA C 56 66.840 66.840 66.018 0.822 19869 5872 1 16 . 1 1 56 56 PRO CB C 56 30.875 30.875 31.165 -0.290 19869 5873 1 16 . 1 1 57 57 LYS N N 57 114.335 114.335 118.045 -3.710 19869 5874 1 16 . 1 1 57 57 LYS HA H 57 4.213 4.213 4.054 0.159 19869 5875 1 16 . 1 1 57 57 LYS CA C 57 60.027 60.027 59.234 0.793 19869 5876 1 16 . 1 1 57 57 LYS CB C 57 33.700 33.700 32.153 1.547 19869 5877 1 16 . 1 1 57 57 LYS H H 57 7.224 7.224 7.511 -0.287 19869 5878 1 16 . 1 1 58 58 LEU N N 58 119.010 119.010 119.893 -0.883 19869 5879 1 16 . 1 1 58 58 LEU HA H 58 3.714 3.714 3.987 -0.273 19869 5880 1 16 . 1 1 58 58 LEU CA C 58 57.900 57.900 57.310 0.590 19869 5881 1 16 . 1 1 58 58 LEU CB C 58 42.966 42.966 41.007 1.959 19869 5882 1 16 . 1 1 58 58 LEU H H 58 8.369 8.369 7.667 0.702 19869 5883 1 16 . 1 1 59 59 ALA N N 59 122.559 122.559 122.021 0.538 19869 5884 1 16 . 1 1 59 59 ALA HA H 59 3.720 3.720 3.855 -0.135 19869 5885 1 16 . 1 1 59 59 ALA CA C 59 55.510 55.510 55.009 0.501 19869 5886 1 16 . 1 1 59 59 ALA CB C 59 19.020 19.020 18.231 0.789 19869 5887 1 16 . 1 1 59 59 ALA H H 59 8.686 8.686 7.492 1.194 19869 5888 1 16 . 1 1 60 60 VAL N N 60 118.664 118.664 118.990 -0.326 19869 5889 1 16 . 1 1 60 60 VAL HA H 60 3.251 3.251 3.728 -0.477 19869 5890 1 16 . 1 1 60 60 VAL CA C 60 67.397 67.397 64.508 2.889 19869 5891 1 16 . 1 1 60 60 VAL CB C 60 31.340 31.340 31.631 -0.291 19869 5892 1 16 . 1 1 60 60 VAL H H 60 7.777 7.777 7.508 0.269 19869 5893 1 16 . 1 1 61 61 LEU N N 61 118.415 118.415 119.261 -0.846 19869 5894 1 16 . 1 1 61 61 LEU HA H 61 3.553 3.553 3.869 -0.316 19869 5895 1 16 . 1 1 61 61 LEU CA C 61 58.150 58.150 57.920 0.230 19869 5896 1 16 . 1 1 61 61 LEU CB C 61 40.340 40.340 41.321 -0.981 19869 5897 1 16 . 1 1 61 61 LEU H H 61 8.328 8.328 7.838 0.490 19869 5898 1 16 . 1 1 62 62 THR N N 62 117.416 117.416 111.637 5.779 19869 5899 1 16 . 1 1 62 62 THR HA H 62 4.130 4.130 3.658 0.472 19869 5900 1 16 . 1 1 62 62 THR CA C 62 67.220 67.220 65.542 1.678 19869 5901 1 16 . 1 1 62 62 THR CB C 62 68.364 68.364 68.439 -0.076 19869 5902 1 16 . 1 1 62 62 THR H H 62 7.787 7.787 7.203 0.584 19869 5903 1 16 . 1 1 63 63 ALA N N 63 124.319 124.319 124.593 -0.274 19869 5904 1 16 . 1 1 63 63 ALA HA H 63 3.746 3.746 3.991 -0.245 19869 5905 1 16 . 1 1 63 63 ALA CA C 63 56.243 56.243 54.931 1.312 19869 5906 1 16 . 1 1 63 63 ALA CB C 63 17.121 17.121 18.013 -0.892 19869 5907 1 16 . 1 1 63 63 ALA H H 63 8.175 8.175 7.423 0.752 19869 5908 1 16 . 1 1 64 64 VAL N N 64 116.756 116.756 117.781 -1.025 19869 5909 1 16 . 1 1 64 64 VAL HA H 64 3.324 3.324 3.734 -0.410 19869 5910 1 16 . 1 1 64 64 VAL CA C 64 66.543 66.543 65.423 1.120 19869 5911 1 16 . 1 1 64 64 VAL CB C 64 31.340 31.340 31.829 -0.489 19869 5912 1 16 . 1 1 64 64 VAL H H 64 8.422 8.422 7.699 0.723 19869 5913 1 16 . 1 1 65 65 GLN N N 65 120.091 120.091 119.237 0.854 19869 5914 1 16 . 1 1 65 65 GLN HA H 65 4.015 4.015 4.360 -0.345 19869 5915 1 16 . 1 1 65 65 GLN CA C 65 59.290 59.290 58.111 1.179 19869 5916 1 16 . 1 1 65 65 GLN CB C 65 28.450 28.450 29.046 -0.596 19869 5917 1 16 . 1 1 65 65 GLN H H 65 7.924 7.924 7.279 0.645 19869 5918 1 16 . 1 1 66 66 ILE N N 66 118.358 118.358 121.130 -2.772 19869 5919 1 16 . 1 1 66 66 ILE HA H 66 3.526 3.526 3.645 -0.119 19869 5920 1 16 . 1 1 66 66 ILE CA C 66 65.305 65.305 64.879 0.426 19869 5921 1 16 . 1 1 66 66 ILE H H 66 8.441 8.441 8.635 -0.194 19869 5922 1 16 . 1 1 67 67 ALA N N 67 121.518 121.518 120.688 0.830 19869 5923 1 16 . 1 1 67 67 ALA HA H 67 4.025 4.025 4.124 -0.099 19869 5924 1 16 . 1 1 67 67 ALA CA C 67 55.501 55.501 55.317 0.184 19869 5925 1 16 . 1 1 67 67 ALA CB C 67 19.668 19.668 18.305 1.363 19869 5926 1 16 . 1 1 67 67 ALA H H 67 8.947 8.947 7.980 0.967 19869 5927 1 16 . 1 1 68 68 SER N N 68 112.523 112.523 114.359 -1.836 19869 5928 1 16 . 1 1 68 68 SER HA H 68 4.174 4.174 4.193 -0.019 19869 5929 1 16 . 1 1 68 68 SER CA C 68 61.429 61.429 61.741 -0.312 19869 5930 1 16 . 1 1 68 68 SER CB C 68 63.011 63.011 63.151 -0.140 19869 5931 1 16 . 1 1 68 68 SER H H 68 8.492 8.492 7.731 0.761 19869 5932 1 16 . 1 1 69 69 GLU N N 69 117.397 117.397 120.650 -3.253 19869 5933 1 16 . 1 1 69 69 GLU HA H 69 3.998 3.998 4.254 -0.256 19869 5934 1 16 . 1 1 69 69 GLU CA C 69 59.181 59.181 58.759 0.422 19869 5935 1 16 . 1 1 69 69 GLU CB C 69 28.760 28.760 29.209 -0.449 19869 5936 1 16 . 1 1 69 69 GLU H H 69 7.579 7.579 7.963 -0.384 19869 5937 1 16 . 1 1 70 70 TYR N N 70 120.853 120.853 117.569 3.284 19869 5938 1 16 . 1 1 70 70 TYR HA H 70 4.352 4.352 4.581 -0.229 19869 5939 1 16 . 1 1 70 70 TYR CA C 70 60.530 60.530 58.528 2.002 19869 5940 1 16 . 1 1 70 70 TYR CB C 70 38.480 38.480 39.179 -0.699 19869 5941 1 16 . 1 1 70 70 TYR H H 70 8.635 8.635 7.712 0.923 19869 5942 1 16 . 1 1 71 71 LEU N N 71 119.400 119.400 122.101 -2.701 19869 5943 1 16 . 1 1 71 71 LEU HA H 71 3.554 3.554 4.031 -0.477 19869 5944 1 16 . 1 1 71 71 LEU CA C 71 58.368 58.368 58.123 0.245 19869 5945 1 16 . 1 1 71 71 LEU CB C 71 40.564 40.564 42.074 -1.510 19869 5946 1 16 . 1 1 71 71 LEU H H 71 8.836 8.836 8.253 0.583 19869 5947 1 16 . 1 1 72 72 LYS N N 72 119.127 119.127 115.812 3.315 19869 5948 1 16 . 1 1 72 72 LYS HA H 72 4.095 4.095 4.478 -0.383 19869 5949 1 16 . 1 1 72 72 LYS CA C 72 59.780 59.780 58.193 1.587 19869 5950 1 16 . 1 1 72 72 LYS CB C 72 32.640 32.640 31.979 0.661 19869 5951 1 16 . 1 1 72 72 LYS H H 72 7.957 7.957 7.681 0.276 19869 5952 1 16 . 1 1 73 73 LEU N N 73 122.487 122.487 121.037 1.450 19869 5953 1 16 . 1 1 73 73 LEU HA H 73 4.127 4.127 4.478 -0.351 19869 5954 1 16 . 1 1 73 73 LEU CA C 73 57.340 57.340 56.759 0.581 19869 5955 1 16 . 1 1 73 73 LEU CB C 73 41.020 41.020 42.637 -1.617 19869 5956 1 16 . 1 1 73 73 LEU H H 73 8.033 8.033 7.620 0.413 19869 5957 1 16 . 1 1 74 74 LYS N N 74 120.309 120.309 118.304 2.005 19869 5958 1 16 . 1 1 74 74 LYS HA H 74 3.759 3.759 4.009 -0.250 19869 5959 1 16 . 1 1 74 74 LYS CA C 74 60.700 60.700 59.163 1.536 19869 5960 1 16 . 1 1 74 74 LYS CB C 74 32.140 32.140 31.971 0.169 19869 5961 1 16 . 1 1 74 74 LYS H H 74 8.750 8.750 8.040 0.710 19869 5962 1 16 . 1 1 75 75 GLU N N 75 118.296 118.296 118.370 -0.074 19869 5963 1 16 . 1 1 75 75 GLU HA H 75 4.098 4.098 4.141 -0.043 19869 5964 1 16 . 1 1 75 75 GLU CA C 75 59.330 59.330 58.692 0.638 19869 5965 1 16 . 1 1 75 75 GLU CB C 75 29.500 29.500 29.161 0.339 19869 5966 1 16 . 1 1 75 75 GLU H H 75 7.274 7.274 7.881 -0.607 19869 5967 1 16 . 1 1 76 76 GLU N N 76 120.788 120.788 120.115 0.673 19869 5968 1 16 . 1 1 76 76 GLU HA H 76 4.152 4.152 4.055 0.097 19869 5969 1 16 . 1 1 76 76 GLU CA C 76 59.082 59.082 59.188 -0.106 19869 5970 1 16 . 1 1 76 76 GLU CB C 76 29.235 29.235 29.131 0.104 19869 5971 1 16 . 1 1 76 76 GLU H H 76 7.756 7.756 7.743 0.013 19869 5972 1 16 . 1 1 77 77 TYR N N 77 121.399 121.399 119.330 2.069 19869 5973 1 16 . 1 1 77 77 TYR HA H 77 4.210 4.210 4.237 -0.027 19869 5974 1 16 . 1 1 77 77 TYR CA C 77 61.704 61.704 60.657 1.047 19869 5975 1 16 . 1 1 77 77 TYR CB C 77 38.889 38.889 38.221 0.668 19869 5976 1 16 . 1 1 77 77 TYR H H 77 9.401 9.401 7.380 2.021 19869 5977 1 16 . 1 1 78 78 GLN N N 78 118.068 118.068 117.401 0.667 19869 5978 1 16 . 1 1 78 78 GLN HA H 78 3.784 3.784 3.737 0.047 19869 5979 1 16 . 1 1 78 78 GLN CA C 78 58.915 58.915 58.227 0.688 19869 5980 1 16 . 1 1 78 78 GLN CB C 78 27.880 27.880 28.063 -0.183 19869 5981 1 16 . 1 1 78 78 GLN H H 78 8.169 8.169 7.758 0.411 19869 5982 1 16 . 1 1 79 79 ARG N N 79 118.446 118.446 118.947 -0.501 19869 5983 1 16 . 1 1 79 79 ARG HA H 79 4.045 4.045 3.939 0.106 19869 5984 1 16 . 1 1 79 79 ARG CA C 79 59.310 59.310 59.931 -0.621 19869 5985 1 16 . 1 1 79 79 ARG CB C 79 30.220 30.220 30.222 -0.002 19869 5986 1 16 . 1 1 79 79 ARG H H 79 7.814 7.814 8.439 -0.625 19869 5987 1 16 . 1 1 80 80 LEU N N 80 121.039 121.039 114.351 6.688 19869 5988 1 16 . 1 1 80 80 LEU HA H 80 4.130 4.130 4.458 -0.328 19869 5989 1 16 . 1 1 80 80 LEU CA C 80 57.689 57.689 57.465 0.224 19869 5990 1 16 . 1 1 80 80 LEU CB C 80 41.670 41.670 41.772 -0.102 19869 5991 1 16 . 1 1 80 80 LEU H H 80 7.989 7.989 7.372 0.617 19869 5992 1 16 . 1 1 81 81 ARG N N 81 117.498 117.498 120.298 -2.800 19869 5993 1 16 . 1 1 81 81 ARG HA H 81 3.717 3.717 3.972 -0.255 19869 5994 1 16 . 1 1 81 81 ARG CA C 81 59.030 59.030 59.207 -0.177 19869 5995 1 16 . 1 1 81 81 ARG CB C 81 29.500 29.500 29.719 -0.219 19869 5996 1 16 . 1 1 81 81 ARG H H 81 8.241 8.241 7.746 0.495 19869 5997 1 16 . 1 1 82 82 GLU N N 82 117.300 117.300 117.045 0.255 19869 5998 1 16 . 1 1 82 82 GLU HA H 82 4.060 4.060 3.976 0.084 19869 5999 1 16 . 1 1 82 82 GLU CA C 82 58.205 58.205 58.905 -0.700 19869 6000 1 16 . 1 1 82 82 GLU CB C 82 29.539 29.539 29.097 0.442 19869 6001 1 16 . 1 1 82 82 GLU H H 82 7.671 7.671 8.423 -0.752 19869 6002 1 16 . 1 1 83 83 GLN N N 83 117.205 117.205 117.222 -0.017 19869 6003 1 16 . 1 1 83 83 GLN HA H 83 4.192 4.192 4.248 -0.056 19869 6004 1 16 . 1 1 83 83 GLN CA C 83 56.940 56.940 57.407 -0.467 19869 6005 1 16 . 1 1 83 83 GLN CB C 83 29.110 29.110 29.359 -0.249 19869 6006 1 16 . 1 1 83 83 GLN H H 83 7.745 7.745 7.494 0.251 19869 6007 1 16 . 1 1 84 84 LEU N N 84 120.465 120.465 120.269 0.196 19869 6008 1 16 . 1 1 84 84 LEU HA H 84 4.301 4.301 4.358 -0.057 19869 6009 1 16 . 1 1 84 84 LEU CA C 84 55.180 55.180 55.846 -0.666 19869 6010 1 16 . 1 1 84 84 LEU CB C 84 42.190 42.190 42.508 -0.318 19869 6011 1 16 . 1 1 84 84 LEU H H 84 7.500 7.500 7.657 -0.157 19869 6012 1 16 . 1 1 85 85 LYS N N 85 126.524 126.524 119.176 7.348 19869 6013 1 16 . 1 1 85 85 LYS HA H 85 4.063 4.063 4.413 -0.350 19869 6014 1 16 . 1 1 85 85 LYS CA C 85 57.499 57.499 55.598 1.901 19869 6015 1 16 . 1 1 85 85 LYS CB C 85 33.640 33.640 33.748 -0.108 19869 6016 1 16 . 1 1 85 85 LYS H H 85 7.525 7.525 7.643 -0.118 19869 6017 1 17 . 1 1 8 8 PRO HA H 8 4.396 4.396 4.637 -0.241 19869 6018 1 17 . 1 1 8 8 PRO CA C 8 63.046 63.046 62.162 0.884 19869 6019 1 17 . 1 1 8 8 PRO CB C 8 32.151 32.151 32.723 -0.572 19869 6020 1 17 . 1 1 9 9 LYS N N 9 121.282 121.282 120.502 0.780 19869 6021 1 17 . 1 1 9 9 LYS HA H 9 4.373 4.373 4.202 0.171 19869 6022 1 17 . 1 1 9 9 LYS CA C 9 56.140 56.140 56.940 -0.799 19869 6023 1 17 . 1 1 9 9 LYS CB C 9 33.680 33.680 32.293 1.387 19869 6024 1 17 . 1 1 9 9 LYS H H 9 8.363 8.363 8.357 0.006 19869 6025 1 17 . 1 1 10 10 THR N N 10 117.787 117.787 118.225 -0.438 19869 6026 1 17 . 1 1 10 10 THR HA H 10 4.357 4.357 4.586 -0.229 19869 6027 1 17 . 1 1 10 10 THR CA C 10 61.620 61.620 60.209 1.411 19869 6028 1 17 . 1 1 10 10 THR CB C 10 70.393 70.393 69.869 0.524 19869 6029 1 17 . 1 1 10 10 THR H H 10 8.675 8.675 8.516 0.159 19869 6030 1 17 . 1 1 11 11 ARG N N 11 123.980 123.980 124.133 -0.153 19869 6031 1 17 . 1 1 11 11 ARG HA H 11 5.043 5.043 5.388 -0.345 19869 6032 1 17 . 1 1 11 11 ARG CA C 11 55.142 55.142 54.598 0.544 19869 6033 1 17 . 1 1 11 11 ARG CB C 11 32.130 32.130 32.256 -0.126 19869 6034 1 17 . 1 1 11 11 ARG H H 11 8.322 8.322 8.485 -0.163 19869 6035 1 17 . 1 1 12 12 VAL N N 12 124.311 124.311 123.390 0.921 19869 6036 1 17 . 1 1 12 12 VAL HA H 12 4.410 4.410 4.485 -0.075 19869 6037 1 17 . 1 1 12 12 VAL CA C 12 60.866 60.866 59.647 1.219 19869 6038 1 17 . 1 1 12 12 VAL CB C 12 35.447 35.447 36.054 -0.608 19869 6039 1 17 . 1 1 12 12 VAL H H 12 8.853 8.853 9.064 -0.211 19869 6040 1 17 . 1 1 13 13 SER N N 13 122.286 122.286 121.728 0.558 19869 6041 1 17 . 1 1 13 13 SER HA H 13 5.435 5.435 5.565 -0.130 19869 6042 1 17 . 1 1 13 13 SER CA C 13 57.199 57.199 56.596 0.603 19869 6043 1 17 . 1 1 13 13 SER CB C 13 63.535 63.535 64.057 -0.522 19869 6044 1 17 . 1 1 13 13 SER H H 13 8.581 8.581 8.391 0.190 19869 6045 1 17 . 1 1 14 14 VAL N N 14 119.340 119.340 119.807 -0.467 19869 6046 1 17 . 1 1 14 14 VAL HA H 14 4.491 4.491 4.592 -0.101 19869 6047 1 17 . 1 1 14 14 VAL CA C 14 56.271 56.271 59.045 -2.774 19869 6048 1 17 . 1 1 14 14 VAL CB C 14 35.709 35.709 35.209 0.500 19869 6049 1 17 . 1 1 14 14 VAL H H 14 9.154 9.154 9.165 -0.011 19869 6050 1 17 . 1 1 15 15 ARG N N 15 123.689 123.689 122.732 0.957 19869 6051 1 17 . 1 1 15 15 ARG HA H 15 5.333 5.333 5.119 0.214 19869 6052 1 17 . 1 1 15 15 ARG CA C 15 54.830 54.830 55.081 -0.251 19869 6053 1 17 . 1 1 15 15 ARG CB C 15 31.780 31.780 31.436 0.345 19869 6054 1 17 . 1 1 15 15 ARG H H 15 8.467 8.467 8.491 -0.024 19869 6055 1 17 . 1 1 16 16 ILE N N 16 125.117 125.117 126.283 -1.166 19869 6056 1 17 . 1 1 16 16 ILE HA H 16 4.189 4.189 4.527 -0.338 19869 6057 1 17 . 1 1 16 16 ILE CA C 16 61.240 61.240 60.910 0.330 19869 6058 1 17 . 1 1 16 16 ILE CB C 16 41.680 41.680 40.403 1.277 19869 6059 1 17 . 1 1 16 16 ILE H H 16 9.174 9.174 9.302 -0.128 19869 6060 1 17 . 1 1 17 17 TYR N N 17 137.064 137.064 129.973 7.091 19869 6061 1 17 . 1 1 17 17 TYR HA H 17 3.836 3.836 4.137 -0.301 19869 6062 1 17 . 1 1 17 17 TYR CA C 17 59.876 59.876 59.682 0.194 19869 6063 1 17 . 1 1 17 17 TYR CB C 17 39.379 39.379 36.780 2.599 19869 6064 1 17 . 1 1 17 17 TYR H H 17 10.623 10.623 10.120 0.503 19869 6065 1 17 . 1 1 18 18 GLY N N 18 102.991 102.991 105.055 -2.064 19869 6066 1 17 . 1 1 18 18 GLY CA C 18 45.674 45.674 45.047 0.627 19869 6067 1 17 . 1 1 18 18 GLY H H 18 8.604 8.604 8.772 -0.168 19869 6068 1 17 . 1 1 19 19 GLN N N 19 119.104 119.104 121.107 -2.003 19869 6069 1 17 . 1 1 19 19 GLN HA H 19 4.566 4.566 4.657 -0.091 19869 6070 1 17 . 1 1 19 19 GLN CA C 19 53.719 53.719 54.339 -0.620 19869 6071 1 17 . 1 1 19 19 GLN CB C 19 32.230 32.230 30.984 1.246 19869 6072 1 17 . 1 1 19 19 GLN H H 19 7.724 7.724 7.945 -0.221 19869 6073 1 17 . 1 1 20 20 ASP N N 20 121.913 121.913 120.997 0.916 19869 6074 1 17 . 1 1 20 20 ASP HA H 20 5.340 5.340 5.423 -0.083 19869 6075 1 17 . 1 1 20 20 ASP CA C 20 54.370 54.370 53.169 1.200 19869 6076 1 17 . 1 1 20 20 ASP CB C 20 42.600 42.600 41.962 0.638 19869 6077 1 17 . 1 1 20 20 ASP H H 20 8.217 8.217 8.388 -0.171 19869 6078 1 17 . 1 1 21 21 TYR N N 21 120.801 120.801 120.560 0.241 19869 6079 1 17 . 1 1 21 21 TYR HA H 21 4.538 4.538 4.764 -0.226 19869 6080 1 17 . 1 1 21 21 TYR CA C 21 57.640 57.640 57.387 0.253 19869 6081 1 17 . 1 1 21 21 TYR CB C 21 42.201 42.201 43.401 -1.200 19869 6082 1 17 . 1 1 21 21 TYR H H 21 9.330 9.330 9.096 0.234 19869 6083 1 17 . 1 1 22 22 THR N N 22 118.813 118.813 116.649 2.164 19869 6084 1 17 . 1 1 22 22 THR HA H 22 4.390 4.390 5.454 -1.064 19869 6085 1 17 . 1 1 22 22 THR CA C 22 63.230 63.230 60.475 2.755 19869 6086 1 17 . 1 1 22 22 THR CB C 22 69.380 69.380 69.709 -0.329 19869 6087 1 17 . 1 1 22 22 THR H H 22 8.888 8.888 8.435 0.452 19869 6088 1 17 . 1 1 23 23 ILE N N 23 129.291 129.291 120.818 8.473 19869 6089 1 17 . 1 1 23 23 ILE HA H 23 4.268 4.268 4.713 -0.445 19869 6090 1 17 . 1 1 23 23 ILE CA C 23 59.121 59.121 58.956 0.165 19869 6091 1 17 . 1 1 23 23 ILE CB C 23 37.060 37.060 41.792 -4.732 19869 6092 1 17 . 1 1 23 23 ILE H H 23 9.212 9.212 9.261 -0.049 19869 6093 1 17 . 1 1 24 24 VAL N N 24 127.112 127.112 121.978 5.134 19869 6094 1 17 . 1 1 24 24 VAL HA H 24 5.073 5.073 4.725 0.348 19869 6095 1 17 . 1 1 24 24 VAL CA C 24 60.246 60.246 62.222 -1.976 19869 6096 1 17 . 1 1 24 24 VAL CB C 24 33.415 33.415 31.066 2.349 19869 6097 1 17 . 1 1 24 24 VAL H H 24 8.345 8.345 8.589 -0.244 19869 6098 1 17 . 1 1 25 25 GLY N N 25 113.745 113.745 116.233 -2.488 19869 6099 1 17 . 1 1 25 25 GLY CA C 25 45.920 45.920 44.474 1.446 19869 6100 1 17 . 1 1 25 25 GLY H H 25 8.540 8.540 8.329 0.211 19869 6101 1 17 . 1 1 26 26 ALA N N 26 123.321 123.321 127.248 -3.927 19869 6102 1 17 . 1 1 26 26 ALA HA H 26 4.644 4.644 4.503 0.141 19869 6103 1 17 . 1 1 26 26 ALA CA C 26 51.639 51.639 53.525 -1.886 19869 6104 1 17 . 1 1 26 26 ALA CB C 26 19.725 19.725 19.059 0.666 19869 6105 1 17 . 1 1 26 26 ALA H H 26 8.593 8.593 8.106 0.487 19869 6106 1 17 . 1 1 27 27 GLU N N 27 118.135 118.135 119.893 -1.758 19869 6107 1 17 . 1 1 27 27 GLU HA H 27 4.302 4.302 4.584 -0.282 19869 6108 1 17 . 1 1 27 27 GLU CA C 27 55.670 55.670 56.963 -1.293 19869 6109 1 17 . 1 1 27 27 GLU CB C 27 30.724 30.724 30.223 0.501 19869 6110 1 17 . 1 1 27 27 GLU H H 27 8.120 8.120 8.372 -0.252 19869 6111 1 17 . 1 1 28 28 SER N N 28 115.651 115.651 112.353 3.298 19869 6112 1 17 . 1 1 28 28 SER HA H 28 4.700 4.700 4.745 -0.045 19869 6113 1 17 . 1 1 28 28 SER CA C 28 56.044 56.044 57.003 -0.959 19869 6114 1 17 . 1 1 28 28 SER H H 28 8.723 8.723 7.797 0.926 19869 6115 1 17 . 1 1 29 29 PRO HA H 29 4.111 4.111 4.325 -0.214 19869 6116 1 17 . 1 1 29 29 PRO CA C 29 65.792 65.792 65.208 0.584 19869 6117 1 17 . 1 1 29 29 PRO CB C 29 31.750 31.750 32.078 -0.328 19869 6118 1 17 . 1 1 30 30 ALA N N 30 117.252 117.252 117.145 0.107 19869 6119 1 17 . 1 1 30 30 ALA HA H 30 4.028 4.028 4.332 -0.304 19869 6120 1 17 . 1 1 30 30 ALA CA C 30 55.258 55.258 53.290 1.968 19869 6121 1 17 . 1 1 30 30 ALA CB C 30 18.240 18.240 17.909 0.331 19869 6122 1 17 . 1 1 30 30 ALA H H 30 7.994 7.994 8.237 -0.243 19869 6123 1 17 . 1 1 31 31 HIS N N 31 119.161 119.161 117.166 1.995 19869 6124 1 17 . 1 1 31 31 HIS HA H 31 4.278 4.278 4.659 -0.381 19869 6125 1 17 . 1 1 31 31 HIS CA C 31 59.697 59.697 57.266 2.431 19869 6126 1 17 . 1 1 31 31 HIS CB C 31 30.320 30.320 32.144 -1.823 19869 6127 1 17 . 1 1 31 31 HIS H H 31 7.902 7.902 7.718 0.184 19869 6128 1 17 . 1 1 32 32 ILE N N 32 118.000 118.000 116.740 1.260 19869 6129 1 17 . 1 1 32 32 ILE HA H 32 3.478 3.478 4.180 -0.702 19869 6130 1 17 . 1 1 32 32 ILE CA C 32 63.480 63.480 62.074 1.406 19869 6131 1 17 . 1 1 32 32 ILE CB C 32 36.290 36.290 37.573 -1.283 19869 6132 1 17 . 1 1 32 32 ILE H H 32 8.092 8.092 7.836 0.256 19869 6133 1 17 . 1 1 33 33 ARG N N 33 118.612 118.612 121.063 -2.451 19869 6134 1 17 . 1 1 33 33 ARG HA H 33 3.911 3.911 4.146 -0.235 19869 6135 1 17 . 1 1 33 33 ARG CA C 33 60.741 60.741 59.538 1.203 19869 6136 1 17 . 1 1 33 33 ARG CB C 33 29.839 29.839 30.335 -0.496 19869 6137 1 17 . 1 1 33 33 ARG H H 33 8.436 8.436 7.707 0.729 19869 6138 1 17 . 1 1 34 34 LEU N N 34 122.935 122.935 115.895 7.040 19869 6139 1 17 . 1 1 34 34 LEU HA H 34 4.154 4.154 4.362 -0.208 19869 6140 1 17 . 1 1 34 34 LEU CA C 34 57.400 57.400 57.411 -0.011 19869 6141 1 17 . 1 1 34 34 LEU CB C 34 41.998 41.998 41.201 0.797 19869 6142 1 17 . 1 1 34 34 LEU H H 34 7.565 7.565 7.663 -0.098 19869 6143 1 17 . 1 1 35 35 VAL N N 35 121.579 121.579 120.807 0.772 19869 6144 1 17 . 1 1 35 35 VAL HA H 35 3.333 3.333 3.642 -0.309 19869 6145 1 17 . 1 1 35 35 VAL CA C 35 66.440 66.440 66.891 -0.451 19869 6146 1 17 . 1 1 35 35 VAL CB C 35 31.149 31.149 30.850 0.299 19869 6147 1 17 . 1 1 35 35 VAL H H 35 8.414 8.414 7.755 0.659 19869 6148 1 17 . 1 1 36 36 ALA N N 36 121.368 121.368 121.835 -0.467 19869 6149 1 17 . 1 1 36 36 ALA HA H 36 3.794 3.794 4.003 -0.209 19869 6150 1 17 . 1 1 36 36 ALA CA C 36 55.555 55.555 55.350 0.205 19869 6151 1 17 . 1 1 36 36 ALA CB C 36 18.310 18.310 17.870 0.440 19869 6152 1 17 . 1 1 36 36 ALA H H 36 8.791 8.791 7.808 0.983 19869 6153 1 17 . 1 1 37 37 ALA N N 37 119.373 119.373 121.126 -1.753 19869 6154 1 17 . 1 1 37 37 ALA HA H 37 4.305 4.305 4.003 0.302 19869 6155 1 17 . 1 1 37 37 ALA CA C 37 54.825 54.825 54.871 -0.046 19869 6156 1 17 . 1 1 37 37 ALA CB C 37 18.020 18.020 18.454 -0.434 19869 6157 1 17 . 1 1 37 37 ALA H H 37 7.648 7.648 8.016 -0.368 19869 6158 1 17 . 1 1 38 38 PHE N N 38 120.906 120.906 119.821 1.085 19869 6159 1 17 . 1 1 38 38 PHE HA H 38 4.449 4.449 4.178 0.271 19869 6160 1 17 . 1 1 38 38 PHE CA C 38 61.148 61.148 61.957 -0.809 19869 6161 1 17 . 1 1 38 38 PHE CB C 38 39.350 39.350 39.524 -0.174 19869 6162 1 17 . 1 1 38 38 PHE H H 38 7.923 7.923 7.863 0.060 19869 6163 1 17 . 1 1 39 39 VAL N N 39 119.731 119.731 118.690 1.041 19869 6164 1 17 . 1 1 39 39 VAL HA H 39 3.219 3.219 3.735 -0.516 19869 6165 1 17 . 1 1 39 39 VAL CA C 39 67.520 67.520 66.432 1.088 19869 6166 1 17 . 1 1 39 39 VAL CB C 39 32.059 32.059 30.761 1.298 19869 6167 1 17 . 1 1 39 39 VAL H H 39 8.482 8.482 8.352 0.130 19869 6168 1 17 . 1 1 40 40 ASP N N 40 120.200 120.200 120.832 -0.632 19869 6169 1 17 . 1 1 40 40 ASP HA H 40 4.449 4.449 4.273 0.176 19869 6170 1 17 . 1 1 40 40 ASP CA C 40 58.600 58.600 58.355 0.245 19869 6171 1 17 . 1 1 40 40 ASP CB C 40 43.300 43.300 40.853 2.447 19869 6172 1 17 . 1 1 40 40 ASP H H 40 8.851 8.851 8.578 0.273 19869 6173 1 17 . 1 1 41 41 ASP N N 41 120.967 120.967 120.284 0.683 19869 6174 1 17 . 1 1 41 41 ASP HA H 41 4.532 4.532 4.321 0.211 19869 6175 1 17 . 1 1 41 41 ASP CA C 41 57.860 57.860 57.401 0.459 19869 6176 1 17 . 1 1 41 41 ASP CB C 41 40.560 40.560 40.745 -0.185 19869 6177 1 17 . 1 1 41 41 ASP H H 41 8.743 8.743 7.971 0.772 19869 6178 1 17 . 1 1 42 42 LYS N N 42 120.600 120.600 120.296 0.304 19869 6179 1 17 . 1 1 42 42 LYS HA H 42 3.967 3.967 4.334 -0.367 19869 6180 1 17 . 1 1 42 42 LYS CA C 42 57.880 57.880 59.144 -1.264 19869 6181 1 17 . 1 1 42 42 LYS CB C 42 31.440 31.440 32.531 -1.091 19869 6182 1 17 . 1 1 42 42 LYS H H 42 7.990 7.990 7.462 0.528 19869 6183 1 17 . 1 1 43 43 MET N N 43 119.600 119.600 117.820 1.780 19869 6184 1 17 . 1 1 43 43 MET HA H 43 3.957 3.957 4.288 -0.331 19869 6185 1 17 . 1 1 43 43 MET CA C 43 55.600 55.600 59.866 -4.266 19869 6186 1 17 . 1 1 43 43 MET CB C 43 33.950 33.950 32.944 1.006 19869 6187 1 17 . 1 1 43 43 MET H H 43 8.844 8.844 8.620 0.224 19869 6188 1 17 . 1 1 44 44 HIS N N 44 115.981 115.981 119.151 -3.170 19869 6189 1 17 . 1 1 44 44 HIS HA H 44 4.408 4.408 4.658 -0.250 19869 6190 1 17 . 1 1 44 44 HIS CA C 44 61.250 61.250 59.090 2.160 19869 6191 1 17 . 1 1 44 44 HIS CB C 44 28.045 28.045 29.865 -1.820 19869 6192 1 17 . 1 1 44 44 HIS H H 44 8.296 8.296 8.258 0.038 19869 6193 1 17 . 1 1 45 45 GLU N N 45 122.501 122.501 120.244 2.257 19869 6194 1 17 . 1 1 45 45 GLU HA H 45 4.034 4.034 3.935 0.099 19869 6195 1 17 . 1 1 45 45 GLU CA C 45 59.580 59.580 59.034 0.546 19869 6196 1 17 . 1 1 45 45 GLU CB C 45 29.533 29.533 29.114 0.419 19869 6197 1 17 . 1 1 45 45 GLU H H 45 8.399 8.399 8.347 0.052 19869 6198 1 17 . 1 1 46 46 PHE N N 46 118.451 118.451 118.640 -0.189 19869 6199 1 17 . 1 1 46 46 PHE HA H 46 4.183 4.183 4.682 -0.499 19869 6200 1 17 . 1 1 46 46 PHE CA C 46 61.689 61.689 58.659 3.030 19869 6201 1 17 . 1 1 46 46 PHE CB C 46 38.979 38.979 39.093 -0.114 19869 6202 1 17 . 1 1 46 46 PHE H H 46 8.320 8.320 8.080 0.240 19869 6203 1 17 . 1 1 47 47 SER N N 47 114.878 114.878 115.046 -0.168 19869 6204 1 17 . 1 1 47 47 SER HA H 47 4.111 4.111 4.296 -0.185 19869 6205 1 17 . 1 1 47 47 SER CA C 47 60.281 60.281 60.684 -0.403 19869 6206 1 17 . 1 1 47 47 SER CB C 47 63.321 63.321 62.826 0.495 19869 6207 1 17 . 1 1 47 47 SER H H 47 8.278 8.278 7.598 0.680 19869 6208 1 17 . 1 1 48 48 GLU N N 48 118.579 118.579 117.982 0.597 19869 6209 1 17 . 1 1 48 48 GLU HA H 48 4.059 4.059 4.236 -0.177 19869 6210 1 17 . 1 1 48 48 GLU CA C 48 58.641 58.641 58.027 0.614 19869 6211 1 17 . 1 1 48 48 GLU CB C 48 29.720 29.720 29.503 0.217 19869 6212 1 17 . 1 1 48 48 GLU H H 48 7.651 7.651 7.673 -0.022 19869 6213 1 17 . 1 1 49 49 LYS N N 49 116.048 116.048 119.131 -3.083 19869 6214 1 17 . 1 1 49 49 LYS HA H 49 4.211 4.211 4.216 -0.005 19869 6215 1 17 . 1 1 49 49 LYS CA C 49 57.580 57.580 56.661 0.919 19869 6216 1 17 . 1 1 49 49 LYS CB C 49 33.450 33.450 32.957 0.493 19869 6217 1 17 . 1 1 49 49 LYS H H 49 7.281 7.281 7.605 -0.324 19869 6218 1 17 . 1 1 50 50 GLN N N 50 117.953 117.953 116.210 1.743 19869 6219 1 17 . 1 1 50 50 GLN HA H 50 4.249 4.249 4.175 0.074 19869 6220 1 17 . 1 1 50 50 GLN CA C 50 55.610 55.610 55.889 -0.279 19869 6221 1 17 . 1 1 50 50 GLN CB C 50 30.050 30.050 27.086 2.964 19869 6222 1 17 . 1 1 50 50 GLN H H 50 7.930 7.930 8.023 -0.093 19869 6223 1 17 . 1 1 51 51 PRO HA H 51 4.597 4.597 4.296 0.301 19869 6224 1 17 . 1 1 51 51 PRO CA C 51 63.600 63.600 64.880 -1.280 19869 6225 1 17 . 1 1 51 51 PRO CB C 51 32.522 32.522 32.127 0.395 19869 6226 1 17 . 1 1 52 52 MET N N 52 115.230 115.230 115.145 0.085 19869 6227 1 17 . 1 1 52 52 MET HA H 52 4.513 4.513 4.611 -0.098 19869 6228 1 17 . 1 1 52 52 MET CA C 52 55.505 55.505 54.563 0.942 19869 6229 1 17 . 1 1 52 52 MET CB C 52 30.920 30.920 33.153 -2.233 19869 6230 1 17 . 1 1 52 52 MET H H 52 8.558 8.558 8.077 0.481 19869 6231 1 17 . 1 1 53 53 LEU N N 53 120.540 120.540 119.325 1.215 19869 6232 1 17 . 1 1 53 53 LEU HA H 53 4.252 4.252 4.179 0.073 19869 6233 1 17 . 1 1 53 53 LEU CA C 53 55.690 55.690 55.464 0.226 19869 6234 1 17 . 1 1 53 53 LEU CB C 53 42.728 42.728 40.317 2.411 19869 6235 1 17 . 1 1 53 53 LEU H H 53 7.557 7.557 7.653 -0.096 19869 6236 1 17 . 1 1 54 54 ASP N N 54 121.294 121.294 119.904 1.390 19869 6237 1 17 . 1 1 54 54 ASP HA H 54 4.640 4.640 4.654 -0.014 19869 6238 1 17 . 1 1 54 54 ASP CA C 54 52.280 52.280 53.463 -1.183 19869 6239 1 17 . 1 1 54 54 ASP CB C 54 41.330 41.330 43.343 -2.013 19869 6240 1 17 . 1 1 54 54 ASP H H 54 7.941 7.941 8.100 -0.159 19869 6241 1 17 . 1 1 55 55 VAL N N 55 118.701 118.701 123.656 -4.955 19869 6242 1 17 . 1 1 55 55 VAL HA H 55 4.277 4.277 3.901 0.376 19869 6243 1 17 . 1 1 55 55 VAL CA C 55 62.510 62.510 67.055 -4.545 19869 6244 1 17 . 1 1 55 55 VAL CB C 55 29.900 29.900 29.413 0.487 19869 6245 1 17 . 1 1 55 55 VAL H H 55 8.444 8.444 8.525 -0.081 19869 6246 1 17 . 1 1 56 56 PRO HA H 56 3.981 3.981 4.303 -0.322 19869 6247 1 17 . 1 1 56 56 PRO CA C 56 66.840 66.840 65.958 0.882 19869 6248 1 17 . 1 1 56 56 PRO CB C 56 30.875 30.875 30.835 0.040 19869 6249 1 17 . 1 1 57 57 LYS N N 57 114.335 114.335 116.279 -1.944 19869 6250 1 17 . 1 1 57 57 LYS HA H 57 4.213 4.213 4.208 0.005 19869 6251 1 17 . 1 1 57 57 LYS CA C 57 60.027 60.027 58.423 1.604 19869 6252 1 17 . 1 1 57 57 LYS CB C 57 33.700 33.700 31.549 2.151 19869 6253 1 17 . 1 1 57 57 LYS H H 57 7.224 7.224 8.561 -1.337 19869 6254 1 17 . 1 1 58 58 LEU N N 58 119.010 119.010 121.380 -2.370 19869 6255 1 17 . 1 1 58 58 LEU HA H 58 3.714 3.714 4.218 -0.504 19869 6256 1 17 . 1 1 58 58 LEU CA C 58 57.900 57.900 57.154 0.746 19869 6257 1 17 . 1 1 58 58 LEU CB C 58 42.966 42.966 41.236 1.730 19869 6258 1 17 . 1 1 58 58 LEU H H 58 8.369 8.369 7.648 0.721 19869 6259 1 17 . 1 1 59 59 ALA N N 59 122.559 122.559 122.900 -0.341 19869 6260 1 17 . 1 1 59 59 ALA HA H 59 3.720 3.720 4.129 -0.409 19869 6261 1 17 . 1 1 59 59 ALA CA C 59 55.510 55.510 55.010 0.500 19869 6262 1 17 . 1 1 59 59 ALA CB C 59 19.020 19.020 18.346 0.674 19869 6263 1 17 . 1 1 59 59 ALA H H 59 8.686 8.686 8.365 0.321 19869 6264 1 17 . 1 1 60 60 VAL N N 60 118.664 118.664 118.620 0.044 19869 6265 1 17 . 1 1 60 60 VAL HA H 60 3.251 3.251 3.834 -0.583 19869 6266 1 17 . 1 1 60 60 VAL CA C 60 67.397 67.397 65.213 2.184 19869 6267 1 17 . 1 1 60 60 VAL CB C 60 31.340 31.340 31.317 0.023 19869 6268 1 17 . 1 1 60 60 VAL H H 60 7.777 7.777 7.828 -0.051 19869 6269 1 17 . 1 1 61 61 LEU N N 61 118.415 118.415 120.615 -2.200 19869 6270 1 17 . 1 1 61 61 LEU HA H 61 3.553 3.553 4.009 -0.456 19869 6271 1 17 . 1 1 61 61 LEU CA C 61 58.150 58.150 58.214 -0.064 19869 6272 1 17 . 1 1 61 61 LEU CB C 61 40.340 40.340 41.622 -1.282 19869 6273 1 17 . 1 1 61 61 LEU H H 61 8.328 8.328 7.397 0.931 19869 6274 1 17 . 1 1 62 62 THR N N 62 117.416 117.416 112.076 5.340 19869 6275 1 17 . 1 1 62 62 THR HA H 62 4.130 4.130 4.050 0.080 19869 6276 1 17 . 1 1 62 62 THR CA C 62 67.220 67.220 64.944 2.276 19869 6277 1 17 . 1 1 62 62 THR CB C 62 68.364 68.364 67.935 0.429 19869 6278 1 17 . 1 1 62 62 THR H H 62 7.787 7.787 7.678 0.109 19869 6279 1 17 . 1 1 63 63 ALA N N 63 124.319 124.319 124.979 -0.660 19869 6280 1 17 . 1 1 63 63 ALA HA H 63 3.746 3.746 4.103 -0.357 19869 6281 1 17 . 1 1 63 63 ALA CA C 63 56.243 56.243 55.256 0.987 19869 6282 1 17 . 1 1 63 63 ALA CB C 63 17.121 17.121 17.868 -0.747 19869 6283 1 17 . 1 1 63 63 ALA H H 63 8.175 8.175 7.680 0.495 19869 6284 1 17 . 1 1 64 64 VAL N N 64 116.756 116.756 118.104 -1.348 19869 6285 1 17 . 1 1 64 64 VAL HA H 64 3.324 3.324 3.600 -0.276 19869 6286 1 17 . 1 1 64 64 VAL CA C 64 66.543 66.543 65.433 1.110 19869 6287 1 17 . 1 1 64 64 VAL CB C 64 31.340 31.340 31.787 -0.447 19869 6288 1 17 . 1 1 64 64 VAL H H 64 8.422 8.422 7.615 0.807 19869 6289 1 17 . 1 1 65 65 GLN N N 65 120.091 120.091 120.237 -0.146 19869 6290 1 17 . 1 1 65 65 GLN HA H 65 4.015 4.015 3.965 0.050 19869 6291 1 17 . 1 1 65 65 GLN CA C 65 59.290 59.290 59.335 -0.045 19869 6292 1 17 . 1 1 65 65 GLN CB C 65 28.450 28.450 28.619 -0.169 19869 6293 1 17 . 1 1 65 65 GLN H H 65 7.924 7.924 7.400 0.524 19869 6294 1 17 . 1 1 66 66 ILE N N 66 118.358 118.358 120.416 -2.058 19869 6295 1 17 . 1 1 66 66 ILE HA H 66 3.526 3.526 3.660 -0.134 19869 6296 1 17 . 1 1 66 66 ILE CA C 66 65.305 65.305 65.197 0.108 19869 6297 1 17 . 1 1 66 66 ILE H H 66 8.441 8.441 8.537 -0.096 19869 6298 1 17 . 1 1 67 67 ALA N N 67 121.518 121.518 121.606 -0.088 19869 6299 1 17 . 1 1 67 67 ALA HA H 67 4.025 4.025 4.050 -0.025 19869 6300 1 17 . 1 1 67 67 ALA CA C 67 55.501 55.501 55.578 -0.077 19869 6301 1 17 . 1 1 67 67 ALA CB C 67 19.668 19.668 18.099 1.569 19869 6302 1 17 . 1 1 67 67 ALA H H 67 8.947 8.947 7.722 1.225 19869 6303 1 17 . 1 1 68 68 SER N N 68 112.523 112.523 114.536 -2.013 19869 6304 1 17 . 1 1 68 68 SER HA H 68 4.174 4.174 4.109 0.065 19869 6305 1 17 . 1 1 68 68 SER CA C 68 61.429 61.429 62.633 -1.204 19869 6306 1 17 . 1 1 68 68 SER CB C 68 63.011 63.011 62.815 0.197 19869 6307 1 17 . 1 1 68 68 SER H H 68 8.492 8.492 7.843 0.649 19869 6308 1 17 . 1 1 69 69 GLU N N 69 117.397 117.397 121.628 -4.231 19869 6309 1 17 . 1 1 69 69 GLU HA H 69 3.998 3.998 4.026 -0.028 19869 6310 1 17 . 1 1 69 69 GLU CA C 69 59.181 59.181 59.540 -0.359 19869 6311 1 17 . 1 1 69 69 GLU CB C 69 28.760 28.760 29.503 -0.743 19869 6312 1 17 . 1 1 69 69 GLU H H 69 7.579 7.579 8.309 -0.730 19869 6313 1 17 . 1 1 70 70 TYR N N 70 120.853 120.853 119.625 1.228 19869 6314 1 17 . 1 1 70 70 TYR HA H 70 4.352 4.352 4.439 -0.087 19869 6315 1 17 . 1 1 70 70 TYR CA C 70 60.530 60.530 61.105 -0.575 19869 6316 1 17 . 1 1 70 70 TYR CB C 70 38.480 38.480 38.443 0.037 19869 6317 1 17 . 1 1 70 70 TYR H H 70 8.635 8.635 7.683 0.952 19869 6318 1 17 . 1 1 71 71 LEU N N 71 119.400 119.400 120.347 -0.947 19869 6319 1 17 . 1 1 71 71 LEU HA H 71 3.554 3.554 3.903 -0.349 19869 6320 1 17 . 1 1 71 71 LEU CA C 71 58.368 58.368 58.212 0.157 19869 6321 1 17 . 1 1 71 71 LEU CB C 71 40.564 40.564 41.874 -1.310 19869 6322 1 17 . 1 1 71 71 LEU H H 71 8.836 8.836 8.480 0.356 19869 6323 1 17 . 1 1 72 72 LYS N N 72 119.127 119.127 117.838 1.289 19869 6324 1 17 . 1 1 72 72 LYS HA H 72 4.095 4.095 4.110 -0.015 19869 6325 1 17 . 1 1 72 72 LYS CA C 72 59.780 59.780 58.803 0.977 19869 6326 1 17 . 1 1 72 72 LYS CB C 72 32.640 32.640 32.205 0.435 19869 6327 1 17 . 1 1 72 72 LYS H H 72 7.957 7.957 7.800 0.157 19869 6328 1 17 . 1 1 73 73 LEU N N 73 122.487 122.487 121.818 0.669 19869 6329 1 17 . 1 1 73 73 LEU HA H 73 4.127 4.127 4.385 -0.258 19869 6330 1 17 . 1 1 73 73 LEU CA C 73 57.340 57.340 57.304 0.036 19869 6331 1 17 . 1 1 73 73 LEU CB C 73 41.020 41.020 42.679 -1.659 19869 6332 1 17 . 1 1 73 73 LEU H H 73 8.033 8.033 7.728 0.305 19869 6333 1 17 . 1 1 74 74 LYS N N 74 120.309 120.309 118.219 2.090 19869 6334 1 17 . 1 1 74 74 LYS HA H 74 3.759 3.759 4.165 -0.406 19869 6335 1 17 . 1 1 74 74 LYS CA C 74 60.700 60.700 59.110 1.590 19869 6336 1 17 . 1 1 74 74 LYS CB C 74 32.140 32.140 31.903 0.237 19869 6337 1 17 . 1 1 74 74 LYS H H 74 8.750 8.750 7.867 0.883 19869 6338 1 17 . 1 1 75 75 GLU N N 75 118.296 118.296 120.466 -2.170 19869 6339 1 17 . 1 1 75 75 GLU HA H 75 4.098 4.098 4.081 0.017 19869 6340 1 17 . 1 1 75 75 GLU CA C 75 59.330 59.330 59.236 0.094 19869 6341 1 17 . 1 1 75 75 GLU CB C 75 29.500 29.500 29.294 0.206 19869 6342 1 17 . 1 1 75 75 GLU H H 75 7.274 7.274 7.850 -0.576 19869 6343 1 17 . 1 1 76 76 GLU N N 76 120.788 120.788 118.436 2.352 19869 6344 1 17 . 1 1 76 76 GLU HA H 76 4.152 4.152 4.073 0.079 19869 6345 1 17 . 1 1 76 76 GLU CA C 76 59.082 59.082 58.887 0.195 19869 6346 1 17 . 1 1 76 76 GLU CB C 76 29.235 29.235 28.858 0.377 19869 6347 1 17 . 1 1 76 76 GLU H H 76 7.756 7.756 8.000 -0.244 19869 6348 1 17 . 1 1 77 77 TYR N N 77 121.399 121.399 122.686 -1.287 19869 6349 1 17 . 1 1 77 77 TYR HA H 77 4.210 4.210 4.039 0.171 19869 6350 1 17 . 1 1 77 77 TYR CA C 77 61.704 61.704 60.436 1.268 19869 6351 1 17 . 1 1 77 77 TYR CB C 77 38.889 38.889 38.219 0.670 19869 6352 1 17 . 1 1 77 77 TYR H H 77 9.401 9.401 7.570 1.831 19869 6353 1 17 . 1 1 78 78 GLN N N 78 118.068 118.068 116.982 1.086 19869 6354 1 17 . 1 1 78 78 GLN HA H 78 3.784 3.784 3.648 0.136 19869 6355 1 17 . 1 1 78 78 GLN CA C 78 58.915 58.915 58.105 0.810 19869 6356 1 17 . 1 1 78 78 GLN CB C 78 27.880 27.880 28.122 -0.242 19869 6357 1 17 . 1 1 78 78 GLN H H 78 8.169 8.169 7.761 0.408 19869 6358 1 17 . 1 1 79 79 ARG N N 79 118.446 118.446 121.819 -3.373 19869 6359 1 17 . 1 1 79 79 ARG HA H 79 4.045 4.045 4.407 -0.362 19869 6360 1 17 . 1 1 79 79 ARG CA C 79 59.310 59.310 59.094 0.216 19869 6361 1 17 . 1 1 79 79 ARG CB C 79 30.220 30.220 30.329 -0.109 19869 6362 1 17 . 1 1 79 79 ARG H H 79 7.814 7.814 7.530 0.284 19869 6363 1 17 . 1 1 80 80 LEU N N 80 121.039 121.039 116.756 4.283 19869 6364 1 17 . 1 1 80 80 LEU HA H 80 4.130 4.130 4.239 -0.109 19869 6365 1 17 . 1 1 80 80 LEU CA C 80 57.689 57.689 57.831 -0.142 19869 6366 1 17 . 1 1 80 80 LEU CB C 80 41.670 41.670 41.544 0.126 19869 6367 1 17 . 1 1 80 80 LEU H H 80 7.989 7.989 8.235 -0.246 19869 6368 1 17 . 1 1 81 81 ARG N N 81 117.498 117.498 119.211 -1.713 19869 6369 1 17 . 1 1 81 81 ARG HA H 81 3.717 3.717 4.066 -0.349 19869 6370 1 17 . 1 1 81 81 ARG CA C 81 59.030 59.030 59.117 -0.088 19869 6371 1 17 . 1 1 81 81 ARG CB C 81 29.500 29.500 30.006 -0.506 19869 6372 1 17 . 1 1 81 81 ARG H H 81 8.241 8.241 7.582 0.659 19869 6373 1 17 . 1 1 82 82 GLU N N 82 117.300 117.300 119.844 -2.544 19869 6374 1 17 . 1 1 82 82 GLU HA H 82 4.060 4.060 4.046 0.014 19869 6375 1 17 . 1 1 82 82 GLU CA C 82 58.205 58.205 59.039 -0.834 19869 6376 1 17 . 1 1 82 82 GLU CB C 82 29.539 29.539 28.635 0.904 19869 6377 1 17 . 1 1 82 82 GLU H H 82 7.671 7.671 8.411 -0.740 19869 6378 1 17 . 1 1 83 83 GLN N N 83 117.205 117.205 118.652 -1.447 19869 6379 1 17 . 1 1 83 83 GLN HA H 83 4.192 4.192 4.146 0.046 19869 6380 1 17 . 1 1 83 83 GLN CA C 83 56.940 56.940 57.965 -1.025 19869 6381 1 17 . 1 1 83 83 GLN CB C 83 29.110 29.110 28.795 0.315 19869 6382 1 17 . 1 1 83 83 GLN H H 83 7.745 7.745 7.564 0.181 19869 6383 1 17 . 1 1 84 84 LEU N N 84 120.465 120.465 118.385 2.080 19869 6384 1 17 . 1 1 84 84 LEU HA H 84 4.301 4.301 4.338 -0.037 19869 6385 1 17 . 1 1 84 84 LEU CA C 84 55.180 55.180 55.963 -0.783 19869 6386 1 17 . 1 1 84 84 LEU CB C 84 42.190 42.190 42.133 0.056 19869 6387 1 17 . 1 1 84 84 LEU H H 84 7.500 7.500 7.569 -0.069 19869 6388 1 17 . 1 1 85 85 LYS N N 85 126.524 126.524 118.456 8.068 19869 6389 1 17 . 1 1 85 85 LYS HA H 85 4.063 4.063 4.268 -0.205 19869 6390 1 17 . 1 1 85 85 LYS CA C 85 57.499 57.499 57.367 0.132 19869 6391 1 17 . 1 1 85 85 LYS CB C 85 33.640 33.640 34.218 -0.578 19869 6392 1 17 . 1 1 85 85 LYS H H 85 7.525 7.525 7.542 -0.017 19869 6393 1 18 . 1 1 8 8 PRO HA H 8 4.396 4.396 4.610 -0.214 19869 6394 1 18 . 1 1 8 8 PRO CA C 8 63.046 63.046 62.083 0.963 19869 6395 1 18 . 1 1 8 8 PRO CB C 8 32.151 32.151 32.620 -0.469 19869 6396 1 18 . 1 1 9 9 LYS N N 9 121.282 121.282 119.789 1.493 19869 6397 1 18 . 1 1 9 9 LYS HA H 9 4.373 4.373 4.182 0.191 19869 6398 1 18 . 1 1 9 9 LYS CA C 9 56.140 56.140 56.386 -0.246 19869 6399 1 18 . 1 1 9 9 LYS CB C 9 33.680 33.680 31.321 2.359 19869 6400 1 18 . 1 1 9 9 LYS H H 9 8.363 8.363 8.346 0.017 19869 6401 1 18 . 1 1 10 10 THR N N 10 117.787 117.787 118.841 -1.054 19869 6402 1 18 . 1 1 10 10 THR HA H 10 4.357 4.357 4.341 0.016 19869 6403 1 18 . 1 1 10 10 THR CA C 10 61.620 61.620 61.456 0.164 19869 6404 1 18 . 1 1 10 10 THR CB C 10 70.393 70.393 70.895 -0.503 19869 6405 1 18 . 1 1 10 10 THR H H 10 8.675 8.675 8.120 0.555 19869 6406 1 18 . 1 1 11 11 ARG N N 11 123.980 123.980 125.415 -1.435 19869 6407 1 18 . 1 1 11 11 ARG HA H 11 5.043 5.043 4.982 0.061 19869 6408 1 18 . 1 1 11 11 ARG CA C 11 55.142 55.142 54.769 0.373 19869 6409 1 18 . 1 1 11 11 ARG CB C 11 32.130 32.130 31.787 0.343 19869 6410 1 18 . 1 1 11 11 ARG H H 11 8.322 8.322 8.388 -0.066 19869 6411 1 18 . 1 1 12 12 VAL N N 12 124.311 124.311 122.172 2.139 19869 6412 1 18 . 1 1 12 12 VAL HA H 12 4.410 4.410 4.475 -0.065 19869 6413 1 18 . 1 1 12 12 VAL CA C 12 60.866 60.866 60.564 0.302 19869 6414 1 18 . 1 1 12 12 VAL CB C 12 35.447 35.447 35.544 -0.097 19869 6415 1 18 . 1 1 12 12 VAL H H 12 8.853 8.853 9.098 -0.245 19869 6416 1 18 . 1 1 13 13 SER N N 13 122.286 122.286 124.018 -1.732 19869 6417 1 18 . 1 1 13 13 SER HA H 13 5.435 5.435 5.201 0.234 19869 6418 1 18 . 1 1 13 13 SER CA C 13 57.199 57.199 57.413 -0.214 19869 6419 1 18 . 1 1 13 13 SER CB C 13 63.535 63.535 62.890 0.645 19869 6420 1 18 . 1 1 13 13 SER H H 13 8.581 8.581 8.689 -0.108 19869 6421 1 18 . 1 1 14 14 VAL N N 14 119.340 119.340 119.956 -0.616 19869 6422 1 18 . 1 1 14 14 VAL HA H 14 4.491 4.491 4.549 -0.058 19869 6423 1 18 . 1 1 14 14 VAL CA C 14 56.271 56.271 59.245 -2.974 19869 6424 1 18 . 1 1 14 14 VAL CB C 14 35.709 35.709 34.013 1.696 19869 6425 1 18 . 1 1 14 14 VAL H H 14 9.154 9.154 8.668 0.486 19869 6426 1 18 . 1 1 15 15 ARG N N 15 123.689 123.689 122.411 1.278 19869 6427 1 18 . 1 1 15 15 ARG HA H 15 5.333 5.333 5.306 0.027 19869 6428 1 18 . 1 1 15 15 ARG CA C 15 54.830 54.830 55.253 -0.423 19869 6429 1 18 . 1 1 15 15 ARG CB C 15 31.780 31.780 32.282 -0.502 19869 6430 1 18 . 1 1 15 15 ARG H H 15 8.467 8.467 8.480 -0.013 19869 6431 1 18 . 1 1 16 16 ILE N N 16 125.117 125.117 124.625 0.492 19869 6432 1 18 . 1 1 16 16 ILE HA H 16 4.189 4.189 4.491 -0.302 19869 6433 1 18 . 1 1 16 16 ILE CA C 16 61.240 61.240 60.908 0.332 19869 6434 1 18 . 1 1 16 16 ILE CB C 16 41.680 41.680 41.359 0.320 19869 6435 1 18 . 1 1 16 16 ILE H H 16 9.174 9.174 9.378 -0.204 19869 6436 1 18 . 1 1 17 17 TYR N N 17 137.064 137.064 129.073 7.991 19869 6437 1 18 . 1 1 17 17 TYR HA H 17 3.836 3.836 4.194 -0.358 19869 6438 1 18 . 1 1 17 17 TYR CA C 17 59.876 59.876 59.570 0.306 19869 6439 1 18 . 1 1 17 17 TYR CB C 17 39.379 39.379 36.661 2.718 19869 6440 1 18 . 1 1 17 17 TYR H H 17 10.623 10.623 10.091 0.532 19869 6441 1 18 . 1 1 18 18 GLY N N 18 102.991 102.991 104.920 -1.929 19869 6442 1 18 . 1 1 18 18 GLY CA C 18 45.674 45.674 45.071 0.603 19869 6443 1 18 . 1 1 18 18 GLY H H 18 8.604 8.604 8.840 -0.236 19869 6444 1 18 . 1 1 19 19 GLN N N 19 119.104 119.104 119.767 -0.663 19869 6445 1 18 . 1 1 19 19 GLN HA H 19 4.566 4.566 4.566 0.000 19869 6446 1 18 . 1 1 19 19 GLN CA C 19 53.719 53.719 54.094 -0.375 19869 6447 1 18 . 1 1 19 19 GLN CB C 19 32.230 32.230 32.037 0.193 19869 6448 1 18 . 1 1 19 19 GLN H H 19 7.724 7.724 7.826 -0.102 19869 6449 1 18 . 1 1 20 20 ASP N N 20 121.913 121.913 120.391 1.522 19869 6450 1 18 . 1 1 20 20 ASP HA H 20 5.340 5.340 5.149 0.191 19869 6451 1 18 . 1 1 20 20 ASP CA C 20 54.370 54.370 53.210 1.160 19869 6452 1 18 . 1 1 20 20 ASP CB C 20 42.600 42.600 41.858 0.743 19869 6453 1 18 . 1 1 20 20 ASP H H 20 8.217 8.217 8.342 -0.125 19869 6454 1 18 . 1 1 21 21 TYR N N 21 120.801 120.801 120.360 0.441 19869 6455 1 18 . 1 1 21 21 TYR HA H 21 4.538 4.538 4.715 -0.177 19869 6456 1 18 . 1 1 21 21 TYR CA C 21 57.640 57.640 57.057 0.583 19869 6457 1 18 . 1 1 21 21 TYR CB C 21 42.201 42.201 42.114 0.087 19869 6458 1 18 . 1 1 21 21 TYR H H 21 9.330 9.330 9.038 0.292 19869 6459 1 18 . 1 1 22 22 THR N N 22 118.813 118.813 121.165 -2.352 19869 6460 1 18 . 1 1 22 22 THR HA H 22 4.390 4.390 5.029 -0.639 19869 6461 1 18 . 1 1 22 22 THR CA C 22 63.230 63.230 62.289 0.941 19869 6462 1 18 . 1 1 22 22 THR CB C 22 69.380 69.380 68.634 0.746 19869 6463 1 18 . 1 1 22 22 THR H H 22 8.888 8.888 8.506 0.382 19869 6464 1 18 . 1 1 23 23 ILE N N 23 129.291 129.291 122.403 6.888 19869 6465 1 18 . 1 1 23 23 ILE HA H 23 4.268 4.268 4.823 -0.555 19869 6466 1 18 . 1 1 23 23 ILE CA C 23 59.121 59.121 58.941 0.180 19869 6467 1 18 . 1 1 23 23 ILE CB C 23 37.060 37.060 41.318 -4.258 19869 6468 1 18 . 1 1 23 23 ILE H H 23 9.212 9.212 9.097 0.115 19869 6469 1 18 . 1 1 24 24 VAL N N 24 127.112 127.112 119.908 7.204 19869 6470 1 18 . 1 1 24 24 VAL HA H 24 5.073 5.073 4.372 0.701 19869 6471 1 18 . 1 1 24 24 VAL CA C 24 60.246 60.246 62.260 -2.014 19869 6472 1 18 . 1 1 24 24 VAL CB C 24 33.415 33.415 32.298 1.117 19869 6473 1 18 . 1 1 24 24 VAL H H 24 8.345 8.345 8.355 -0.010 19869 6474 1 18 . 1 1 25 25 GLY N N 25 113.745 113.745 115.943 -2.198 19869 6475 1 18 . 1 1 25 25 GLY CA C 25 45.920 45.920 44.850 1.070 19869 6476 1 18 . 1 1 25 25 GLY H H 25 8.540 8.540 8.767 -0.227 19869 6477 1 18 . 1 1 26 26 ALA N N 26 123.321 123.321 125.818 -2.497 19869 6478 1 18 . 1 1 26 26 ALA HA H 26 4.644 4.644 4.588 0.056 19869 6479 1 18 . 1 1 26 26 ALA CA C 26 51.639 51.639 52.308 -0.669 19869 6480 1 18 . 1 1 26 26 ALA CB C 26 19.725 19.725 19.120 0.605 19869 6481 1 18 . 1 1 26 26 ALA H H 26 8.593 8.593 8.375 0.218 19869 6482 1 18 . 1 1 27 27 GLU N N 27 118.135 118.135 118.999 -0.864 19869 6483 1 18 . 1 1 27 27 GLU HA H 27 4.302 4.302 4.356 -0.054 19869 6484 1 18 . 1 1 27 27 GLU CA C 27 55.670 55.670 56.611 -0.942 19869 6485 1 18 . 1 1 27 27 GLU CB C 27 30.724 30.724 30.498 0.226 19869 6486 1 18 . 1 1 27 27 GLU H H 27 8.120 8.120 8.325 -0.205 19869 6487 1 18 . 1 1 28 28 SER N N 28 115.651 115.651 115.138 0.513 19869 6488 1 18 . 1 1 28 28 SER HA H 28 4.700 4.700 4.847 -0.147 19869 6489 1 18 . 1 1 28 28 SER CA C 28 56.044 56.044 56.019 0.025 19869 6490 1 18 . 1 1 28 28 SER H H 28 8.723 8.723 7.922 0.801 19869 6491 1 18 . 1 1 29 29 PRO HA H 29 4.111 4.111 4.191 -0.080 19869 6492 1 18 . 1 1 29 29 PRO CA C 29 65.792 65.792 65.683 0.109 19869 6493 1 18 . 1 1 29 29 PRO CB C 29 31.750 31.750 31.810 -0.060 19869 6494 1 18 . 1 1 30 30 ALA N N 30 117.252 117.252 119.141 -1.889 19869 6495 1 18 . 1 1 30 30 ALA HA H 30 4.028 4.028 4.181 -0.153 19869 6496 1 18 . 1 1 30 30 ALA CA C 30 55.258 55.258 54.505 0.753 19869 6497 1 18 . 1 1 30 30 ALA CB C 30 18.240 18.240 18.192 0.048 19869 6498 1 18 . 1 1 30 30 ALA H H 30 7.994 7.994 8.310 -0.316 19869 6499 1 18 . 1 1 31 31 HIS N N 31 119.161 119.161 118.586 0.575 19869 6500 1 18 . 1 1 31 31 HIS HA H 31 4.278 4.278 4.363 -0.085 19869 6501 1 18 . 1 1 31 31 HIS CA C 31 59.697 59.697 59.010 0.687 19869 6502 1 18 . 1 1 31 31 HIS CB C 31 30.320 30.320 30.180 0.140 19869 6503 1 18 . 1 1 31 31 HIS H H 31 7.902 7.902 7.980 -0.078 19869 6504 1 18 . 1 1 32 32 ILE N N 32 118.000 118.000 115.759 2.241 19869 6505 1 18 . 1 1 32 32 ILE HA H 32 3.478 3.478 3.827 -0.349 19869 6506 1 18 . 1 1 32 32 ILE CA C 32 63.480 63.480 64.092 -0.612 19869 6507 1 18 . 1 1 32 32 ILE CB C 32 36.290 36.290 37.605 -1.315 19869 6508 1 18 . 1 1 32 32 ILE H H 32 8.092 8.092 8.647 -0.555 19869 6509 1 18 . 1 1 33 33 ARG N N 33 118.612 118.612 119.265 -0.653 19869 6510 1 18 . 1 1 33 33 ARG HA H 33 3.911 3.911 4.184 -0.273 19869 6511 1 18 . 1 1 33 33 ARG CA C 33 60.741 60.741 58.179 2.562 19869 6512 1 18 . 1 1 33 33 ARG CB C 33 29.839 29.839 30.051 -0.212 19869 6513 1 18 . 1 1 33 33 ARG H H 33 8.436 8.436 7.572 0.864 19869 6514 1 18 . 1 1 34 34 LEU N N 34 122.935 122.935 120.334 2.601 19869 6515 1 18 . 1 1 34 34 LEU HA H 34 4.154 4.154 4.272 -0.118 19869 6516 1 18 . 1 1 34 34 LEU CA C 34 57.400 57.400 57.058 0.342 19869 6517 1 18 . 1 1 34 34 LEU CB C 34 41.998 41.998 42.223 -0.225 19869 6518 1 18 . 1 1 34 34 LEU H H 34 7.565 7.565 7.525 0.040 19869 6519 1 18 . 1 1 35 35 VAL N N 35 121.579 121.579 119.616 1.963 19869 6520 1 18 . 1 1 35 35 VAL HA H 35 3.333 3.333 3.364 -0.031 19869 6521 1 18 . 1 1 35 35 VAL CA C 35 66.440 66.440 66.946 -0.506 19869 6522 1 18 . 1 1 35 35 VAL CB C 35 31.149 31.149 31.116 0.033 19869 6523 1 18 . 1 1 35 35 VAL H H 35 8.414 8.414 7.377 1.037 19869 6524 1 18 . 1 1 36 36 ALA N N 36 121.368 121.368 121.192 0.176 19869 6525 1 18 . 1 1 36 36 ALA HA H 36 3.794 3.794 3.978 -0.184 19869 6526 1 18 . 1 1 36 36 ALA CA C 36 55.555 55.555 55.290 0.265 19869 6527 1 18 . 1 1 36 36 ALA CB C 36 18.310 18.310 18.007 0.303 19869 6528 1 18 . 1 1 36 36 ALA H H 36 8.791 8.791 7.786 1.005 19869 6529 1 18 . 1 1 37 37 ALA N N 37 119.373 119.373 121.150 -1.777 19869 6530 1 18 . 1 1 37 37 ALA HA H 37 4.305 4.305 4.063 0.242 19869 6531 1 18 . 1 1 37 37 ALA CA C 37 54.825 54.825 54.793 0.032 19869 6532 1 18 . 1 1 37 37 ALA CB C 37 18.020 18.020 18.510 -0.490 19869 6533 1 18 . 1 1 37 37 ALA H H 37 7.648 7.648 7.900 -0.252 19869 6534 1 18 . 1 1 38 38 PHE N N 38 120.906 120.906 119.803 1.103 19869 6535 1 18 . 1 1 38 38 PHE HA H 38 4.449 4.449 4.201 0.248 19869 6536 1 18 . 1 1 38 38 PHE CA C 38 61.148 61.148 61.958 -0.810 19869 6537 1 18 . 1 1 38 38 PHE CB C 38 39.350 39.350 39.623 -0.273 19869 6538 1 18 . 1 1 38 38 PHE H H 38 7.923 7.923 7.869 0.054 19869 6539 1 18 . 1 1 39 39 VAL N N 39 119.731 119.731 118.847 0.884 19869 6540 1 18 . 1 1 39 39 VAL HA H 39 3.219 3.219 3.645 -0.426 19869 6541 1 18 . 1 1 39 39 VAL CA C 39 67.520 67.520 66.606 0.914 19869 6542 1 18 . 1 1 39 39 VAL CB C 39 32.059 32.059 30.841 1.218 19869 6543 1 18 . 1 1 39 39 VAL H H 39 8.482 8.482 8.185 0.297 19869 6544 1 18 . 1 1 40 40 ASP N N 40 120.200 120.200 120.292 -0.092 19869 6545 1 18 . 1 1 40 40 ASP HA H 40 4.449 4.449 4.407 0.042 19869 6546 1 18 . 1 1 40 40 ASP CA C 40 58.600 58.600 58.216 0.384 19869 6547 1 18 . 1 1 40 40 ASP CB C 40 43.300 43.300 40.878 2.422 19869 6548 1 18 . 1 1 40 40 ASP H H 40 8.851 8.851 8.416 0.435 19869 6549 1 18 . 1 1 41 41 ASP N N 41 120.967 120.967 120.601 0.366 19869 6550 1 18 . 1 1 41 41 ASP HA H 41 4.532 4.532 4.481 0.051 19869 6551 1 18 . 1 1 41 41 ASP CA C 41 57.860 57.860 57.095 0.765 19869 6552 1 18 . 1 1 41 41 ASP CB C 41 40.560 40.560 41.072 -0.512 19869 6553 1 18 . 1 1 41 41 ASP H H 41 8.743 8.743 8.082 0.661 19869 6554 1 18 . 1 1 42 42 LYS N N 42 120.600 120.600 120.140 0.460 19869 6555 1 18 . 1 1 42 42 LYS HA H 42 3.967 3.967 4.045 -0.078 19869 6556 1 18 . 1 1 42 42 LYS CA C 42 57.880 57.880 59.425 -1.545 19869 6557 1 18 . 1 1 42 42 LYS CB C 42 31.440 31.440 32.518 -1.078 19869 6558 1 18 . 1 1 42 42 LYS H H 42 7.990 7.990 7.662 0.328 19869 6559 1 18 . 1 1 43 43 MET N N 43 119.600 119.600 115.346 4.254 19869 6560 1 18 . 1 1 43 43 MET HA H 43 3.957 3.957 4.230 -0.273 19869 6561 1 18 . 1 1 43 43 MET CA C 43 55.600 55.600 58.036 -2.436 19869 6562 1 18 . 1 1 43 43 MET CB C 43 33.950 33.950 32.050 1.900 19869 6563 1 18 . 1 1 43 43 MET H H 43 8.844 8.844 8.428 0.416 19869 6564 1 18 . 1 1 44 44 HIS N N 44 115.981 115.981 117.092 -1.111 19869 6565 1 18 . 1 1 44 44 HIS HA H 44 4.408 4.408 4.840 -0.432 19869 6566 1 18 . 1 1 44 44 HIS CA C 44 61.250 61.250 58.697 2.553 19869 6567 1 18 . 1 1 44 44 HIS CB C 44 28.045 28.045 31.160 -3.115 19869 6568 1 18 . 1 1 44 44 HIS H H 44 8.296 8.296 7.956 0.340 19869 6569 1 18 . 1 1 45 45 GLU N N 45 122.501 122.501 119.874 2.627 19869 6570 1 18 . 1 1 45 45 GLU HA H 45 4.034 4.034 4.203 -0.169 19869 6571 1 18 . 1 1 45 45 GLU CA C 45 59.580 59.580 58.039 1.541 19869 6572 1 18 . 1 1 45 45 GLU CB C 45 29.533 29.533 29.597 -0.064 19869 6573 1 18 . 1 1 45 45 GLU H H 45 8.399 8.399 7.698 0.701 19869 6574 1 18 . 1 1 46 46 PHE N N 46 118.451 118.451 120.823 -2.372 19869 6575 1 18 . 1 1 46 46 PHE HA H 46 4.183 4.183 4.446 -0.263 19869 6576 1 18 . 1 1 46 46 PHE CA C 46 61.689 61.689 60.606 1.083 19869 6577 1 18 . 1 1 46 46 PHE CB C 46 38.979 38.979 39.262 -0.283 19869 6578 1 18 . 1 1 46 46 PHE H H 46 8.320 8.320 8.176 0.144 19869 6579 1 18 . 1 1 47 47 SER N N 47 114.878 114.878 114.070 0.808 19869 6580 1 18 . 1 1 47 47 SER HA H 47 4.111 4.111 4.281 -0.170 19869 6581 1 18 . 1 1 47 47 SER CA C 47 60.281 60.281 61.053 -0.772 19869 6582 1 18 . 1 1 47 47 SER CB C 47 63.321 63.321 62.690 0.631 19869 6583 1 18 . 1 1 47 47 SER H H 47 8.278 8.278 8.492 -0.214 19869 6584 1 18 . 1 1 48 48 GLU N N 48 118.579 118.579 120.436 -1.857 19869 6585 1 18 . 1 1 48 48 GLU HA H 48 4.059 4.059 4.310 -0.251 19869 6586 1 18 . 1 1 48 48 GLU CA C 48 58.641 58.641 57.701 0.940 19869 6587 1 18 . 1 1 48 48 GLU CB C 48 29.720 29.720 29.256 0.464 19869 6588 1 18 . 1 1 48 48 GLU H H 48 7.651 7.651 7.813 -0.162 19869 6589 1 18 . 1 1 49 49 LYS N N 49 116.048 116.048 117.823 -1.775 19869 6590 1 18 . 1 1 49 49 LYS HA H 49 4.211 4.211 4.283 -0.072 19869 6591 1 18 . 1 1 49 49 LYS CA C 49 57.580 57.580 55.935 1.645 19869 6592 1 18 . 1 1 49 49 LYS CB C 49 33.450 33.450 32.917 0.533 19869 6593 1 18 . 1 1 49 49 LYS H H 49 7.281 7.281 7.480 -0.199 19869 6594 1 18 . 1 1 50 50 GLN N N 50 117.953 117.953 116.457 1.496 19869 6595 1 18 . 1 1 50 50 GLN HA H 50 4.249 4.249 4.159 0.090 19869 6596 1 18 . 1 1 50 50 GLN CA C 50 55.610 55.610 55.943 -0.333 19869 6597 1 18 . 1 1 50 50 GLN CB C 50 30.050 30.050 26.669 3.381 19869 6598 1 18 . 1 1 50 50 GLN H H 50 7.930 7.930 7.887 0.043 19869 6599 1 18 . 1 1 51 51 PRO HA H 51 4.597 4.597 4.311 0.286 19869 6600 1 18 . 1 1 51 51 PRO CA C 51 63.600 63.600 64.860 -1.260 19869 6601 1 18 . 1 1 51 51 PRO CB C 51 32.522 32.522 31.977 0.545 19869 6602 1 18 . 1 1 52 52 MET N N 52 115.230 115.230 115.761 -0.531 19869 6603 1 18 . 1 1 52 52 MET HA H 52 4.513 4.513 4.603 -0.090 19869 6604 1 18 . 1 1 52 52 MET CA C 52 55.505 55.505 54.684 0.821 19869 6605 1 18 . 1 1 52 52 MET CB C 52 30.920 30.920 32.120 -1.200 19869 6606 1 18 . 1 1 52 52 MET H H 52 8.558 8.558 8.048 0.510 19869 6607 1 18 . 1 1 53 53 LEU N N 53 120.540 120.540 118.848 1.692 19869 6608 1 18 . 1 1 53 53 LEU HA H 53 4.252 4.252 3.980 0.272 19869 6609 1 18 . 1 1 53 53 LEU CA C 53 55.690 55.690 55.181 0.509 19869 6610 1 18 . 1 1 53 53 LEU CB C 53 42.728 42.728 40.851 1.877 19869 6611 1 18 . 1 1 53 53 LEU H H 53 7.557 7.557 7.853 -0.296 19869 6612 1 18 . 1 1 54 54 ASP N N 54 121.294 121.294 117.713 3.581 19869 6613 1 18 . 1 1 54 54 ASP HA H 54 4.640 4.640 4.839 -0.199 19869 6614 1 18 . 1 1 54 54 ASP CA C 54 52.280 52.280 52.899 -0.619 19869 6615 1 18 . 1 1 54 54 ASP CB C 54 41.330 41.330 43.149 -1.819 19869 6616 1 18 . 1 1 54 54 ASP H H 54 7.941 7.941 7.731 0.210 19869 6617 1 18 . 1 1 55 55 VAL N N 55 118.701 118.701 122.474 -3.773 19869 6618 1 18 . 1 1 55 55 VAL HA H 55 4.277 4.277 3.939 0.338 19869 6619 1 18 . 1 1 55 55 VAL CA C 55 62.510 62.510 66.722 -4.212 19869 6620 1 18 . 1 1 55 55 VAL CB C 55 29.900 29.900 30.045 -0.145 19869 6621 1 18 . 1 1 55 55 VAL H H 55 8.444 8.444 8.618 -0.174 19869 6622 1 18 . 1 1 56 56 PRO HA H 56 3.981 3.981 4.158 -0.177 19869 6623 1 18 . 1 1 56 56 PRO CA C 56 66.840 66.840 65.573 1.267 19869 6624 1 18 . 1 1 56 56 PRO CB C 56 30.875 30.875 30.987 -0.112 19869 6625 1 18 . 1 1 57 57 LYS N N 57 114.335 114.335 116.604 -2.269 19869 6626 1 18 . 1 1 57 57 LYS HA H 57 4.213 4.213 4.212 0.001 19869 6627 1 18 . 1 1 57 57 LYS CA C 57 60.027 60.027 57.746 2.281 19869 6628 1 18 . 1 1 57 57 LYS CB C 57 33.700 33.700 31.322 2.378 19869 6629 1 18 . 1 1 57 57 LYS H H 57 7.224 7.224 8.506 -1.282 19869 6630 1 18 . 1 1 58 58 LEU N N 58 119.010 119.010 121.258 -2.248 19869 6631 1 18 . 1 1 58 58 LEU HA H 58 3.714 3.714 4.176 -0.462 19869 6632 1 18 . 1 1 58 58 LEU CA C 58 57.900 57.900 57.223 0.677 19869 6633 1 18 . 1 1 58 58 LEU CB C 58 42.966 42.966 41.180 1.786 19869 6634 1 18 . 1 1 58 58 LEU H H 58 8.369 8.369 7.817 0.552 19869 6635 1 18 . 1 1 59 59 ALA N N 59 122.559 122.559 122.859 -0.300 19869 6636 1 18 . 1 1 59 59 ALA HA H 59 3.720 3.720 3.941 -0.221 19869 6637 1 18 . 1 1 59 59 ALA CA C 59 55.510 55.510 54.831 0.679 19869 6638 1 18 . 1 1 59 59 ALA CB C 59 19.020 19.020 18.220 0.800 19869 6639 1 18 . 1 1 59 59 ALA H H 59 8.686 8.686 7.543 1.143 19869 6640 1 18 . 1 1 60 60 VAL N N 60 118.664 118.664 118.366 0.298 19869 6641 1 18 . 1 1 60 60 VAL HA H 60 3.251 3.251 3.689 -0.438 19869 6642 1 18 . 1 1 60 60 VAL CA C 60 67.397 67.397 65.234 2.163 19869 6643 1 18 . 1 1 60 60 VAL CB C 60 31.340 31.340 31.791 -0.451 19869 6644 1 18 . 1 1 60 60 VAL H H 60 7.777 7.777 7.490 0.287 19869 6645 1 18 . 1 1 61 61 LEU N N 61 118.415 118.415 120.485 -2.070 19869 6646 1 18 . 1 1 61 61 LEU HA H 61 3.553 3.553 3.908 -0.355 19869 6647 1 18 . 1 1 61 61 LEU CA C 61 58.150 58.150 57.963 0.187 19869 6648 1 18 . 1 1 61 61 LEU CB C 61 40.340 40.340 41.774 -1.434 19869 6649 1 18 . 1 1 61 61 LEU H H 61 8.328 8.328 7.346 0.982 19869 6650 1 18 . 1 1 62 62 THR N N 62 117.416 117.416 112.151 5.265 19869 6651 1 18 . 1 1 62 62 THR HA H 62 4.130 4.130 3.720 0.410 19869 6652 1 18 . 1 1 62 62 THR CA C 62 67.220 67.220 65.505 1.715 19869 6653 1 18 . 1 1 62 62 THR CB C 62 68.364 68.364 68.494 -0.130 19869 6654 1 18 . 1 1 62 62 THR H H 62 7.787 7.787 7.699 0.088 19869 6655 1 18 . 1 1 63 63 ALA N N 63 124.319 124.319 124.899 -0.580 19869 6656 1 18 . 1 1 63 63 ALA HA H 63 3.746 3.746 4.078 -0.332 19869 6657 1 18 . 1 1 63 63 ALA CA C 63 56.243 56.243 54.976 1.267 19869 6658 1 18 . 1 1 63 63 ALA CB C 63 17.121 17.121 18.085 -0.964 19869 6659 1 18 . 1 1 63 63 ALA H H 63 8.175 8.175 7.733 0.442 19869 6660 1 18 . 1 1 64 64 VAL N N 64 116.756 116.756 119.110 -2.354 19869 6661 1 18 . 1 1 64 64 VAL HA H 64 3.324 3.324 3.691 -0.367 19869 6662 1 18 . 1 1 64 64 VAL CA C 64 66.543 66.543 65.551 0.992 19869 6663 1 18 . 1 1 64 64 VAL CB C 64 31.340 31.340 31.715 -0.375 19869 6664 1 18 . 1 1 64 64 VAL H H 64 8.422 8.422 7.926 0.496 19869 6665 1 18 . 1 1 65 65 GLN N N 65 120.091 120.091 120.486 -0.395 19869 6666 1 18 . 1 1 65 65 GLN HA H 65 4.015 4.015 4.135 -0.120 19869 6667 1 18 . 1 1 65 65 GLN CA C 65 59.290 59.290 59.092 0.198 19869 6668 1 18 . 1 1 65 65 GLN CB C 65 28.450 28.450 28.707 -0.257 19869 6669 1 18 . 1 1 65 65 GLN H H 65 7.924 7.924 7.379 0.545 19869 6670 1 18 . 1 1 66 66 ILE N N 66 118.358 118.358 120.542 -2.184 19869 6671 1 18 . 1 1 66 66 ILE HA H 66 3.526 3.526 3.868 -0.342 19869 6672 1 18 . 1 1 66 66 ILE CA C 66 65.305 65.305 64.915 0.390 19869 6673 1 18 . 1 1 66 66 ILE H H 66 8.441 8.441 8.301 0.140 19869 6674 1 18 . 1 1 67 67 ALA N N 67 121.518 121.518 121.353 0.165 19869 6675 1 18 . 1 1 67 67 ALA HA H 67 4.025 4.025 4.026 -0.001 19869 6676 1 18 . 1 1 67 67 ALA CA C 67 55.501 55.501 55.525 -0.024 19869 6677 1 18 . 1 1 67 67 ALA CB C 67 19.668 19.668 18.293 1.375 19869 6678 1 18 . 1 1 67 67 ALA H H 67 8.947 8.947 8.184 0.763 19869 6679 1 18 . 1 1 68 68 SER N N 68 112.523 112.523 114.305 -1.782 19869 6680 1 18 . 1 1 68 68 SER HA H 68 4.174 4.174 4.192 -0.018 19869 6681 1 18 . 1 1 68 68 SER CA C 68 61.429 61.429 61.833 -0.404 19869 6682 1 18 . 1 1 68 68 SER CB C 68 63.011 63.011 62.788 0.223 19869 6683 1 18 . 1 1 68 68 SER H H 68 8.492 8.492 7.897 0.595 19869 6684 1 18 . 1 1 69 69 GLU N N 69 117.397 117.397 121.352 -3.955 19869 6685 1 18 . 1 1 69 69 GLU HA H 69 3.998 3.998 4.101 -0.103 19869 6686 1 18 . 1 1 69 69 GLU CA C 69 59.181 59.181 58.782 0.399 19869 6687 1 18 . 1 1 69 69 GLU CB C 69 28.760 28.760 29.330 -0.570 19869 6688 1 18 . 1 1 69 69 GLU H H 69 7.579 7.579 8.154 -0.575 19869 6689 1 18 . 1 1 70 70 TYR N N 70 120.853 120.853 117.751 3.102 19869 6690 1 18 . 1 1 70 70 TYR HA H 70 4.352 4.352 4.511 -0.159 19869 6691 1 18 . 1 1 70 70 TYR CA C 70 60.530 60.530 60.601 -0.071 19869 6692 1 18 . 1 1 70 70 TYR CB C 70 38.480 38.480 39.571 -1.091 19869 6693 1 18 . 1 1 70 70 TYR H H 70 8.635 8.635 7.770 0.865 19869 6694 1 18 . 1 1 71 71 LEU N N 71 119.400 119.400 120.650 -1.250 19869 6695 1 18 . 1 1 71 71 LEU HA H 71 3.554 3.554 3.962 -0.408 19869 6696 1 18 . 1 1 71 71 LEU CA C 71 58.368 58.368 57.937 0.431 19869 6697 1 18 . 1 1 71 71 LEU CB C 71 40.564 40.564 42.048 -1.484 19869 6698 1 18 . 1 1 71 71 LEU H H 71 8.836 8.836 8.171 0.665 19869 6699 1 18 . 1 1 72 72 LYS N N 72 119.127 119.127 119.276 -0.149 19869 6700 1 18 . 1 1 72 72 LYS HA H 72 4.095 4.095 4.100 -0.005 19869 6701 1 18 . 1 1 72 72 LYS CA C 72 59.780 59.780 59.168 0.612 19869 6702 1 18 . 1 1 72 72 LYS CB C 72 32.640 32.640 32.174 0.466 19869 6703 1 18 . 1 1 72 72 LYS H H 72 7.957 7.957 7.770 0.187 19869 6704 1 18 . 1 1 73 73 LEU N N 73 122.487 122.487 121.476 1.011 19869 6705 1 18 . 1 1 73 73 LEU HA H 73 4.127 4.127 4.140 -0.013 19869 6706 1 18 . 1 1 73 73 LEU CA C 73 57.340 57.340 57.054 0.286 19869 6707 1 18 . 1 1 73 73 LEU CB C 73 41.020 41.020 41.917 -0.897 19869 6708 1 18 . 1 1 73 73 LEU H H 73 8.033 8.033 7.199 0.834 19869 6709 1 18 . 1 1 74 74 LYS N N 74 120.309 120.309 118.706 1.603 19869 6710 1 18 . 1 1 74 74 LYS HA H 74 3.759 3.759 4.058 -0.299 19869 6711 1 18 . 1 1 74 74 LYS CA C 74 60.700 60.700 59.378 1.322 19869 6712 1 18 . 1 1 74 74 LYS CB C 74 32.140 32.140 32.084 0.056 19869 6713 1 18 . 1 1 74 74 LYS H H 74 8.750 8.750 7.843 0.907 19869 6714 1 18 . 1 1 75 75 GLU N N 75 118.296 118.296 119.711 -1.415 19869 6715 1 18 . 1 1 75 75 GLU HA H 75 4.098 4.098 4.148 -0.050 19869 6716 1 18 . 1 1 75 75 GLU CA C 75 59.330 59.330 59.129 0.201 19869 6717 1 18 . 1 1 75 75 GLU CB C 75 29.500 29.500 29.225 0.275 19869 6718 1 18 . 1 1 75 75 GLU H H 75 7.274 7.274 7.757 -0.483 19869 6719 1 18 . 1 1 76 76 GLU N N 76 120.788 120.788 119.386 1.402 19869 6720 1 18 . 1 1 76 76 GLU HA H 76 4.152 4.152 4.101 0.051 19869 6721 1 18 . 1 1 76 76 GLU CA C 76 59.082 59.082 58.927 0.155 19869 6722 1 18 . 1 1 76 76 GLU CB C 76 29.235 29.235 29.046 0.189 19869 6723 1 18 . 1 1 76 76 GLU H H 76 7.756 7.756 7.558 0.198 19869 6724 1 18 . 1 1 77 77 TYR N N 77 121.399 121.399 120.466 0.933 19869 6725 1 18 . 1 1 77 77 TYR HA H 77 4.210 4.210 4.105 0.105 19869 6726 1 18 . 1 1 77 77 TYR CA C 77 61.704 61.704 61.082 0.622 19869 6727 1 18 . 1 1 77 77 TYR CB C 77 38.889 38.889 38.285 0.604 19869 6728 1 18 . 1 1 77 77 TYR H H 77 9.401 9.401 7.548 1.853 19869 6729 1 18 . 1 1 78 78 GLN N N 78 118.068 118.068 116.910 1.158 19869 6730 1 18 . 1 1 78 78 GLN HA H 78 3.784 3.784 3.745 0.039 19869 6731 1 18 . 1 1 78 78 GLN CA C 78 58.915 58.915 58.117 0.798 19869 6732 1 18 . 1 1 78 78 GLN CB C 78 27.880 27.880 27.916 -0.036 19869 6733 1 18 . 1 1 78 78 GLN H H 78 8.169 8.169 7.906 0.263 19869 6734 1 18 . 1 1 79 79 ARG N N 79 118.446 118.446 121.336 -2.890 19869 6735 1 18 . 1 1 79 79 ARG HA H 79 4.045 4.045 4.113 -0.068 19869 6736 1 18 . 1 1 79 79 ARG CA C 79 59.310 59.310 58.345 0.965 19869 6737 1 18 . 1 1 79 79 ARG CB C 79 30.220 30.220 29.784 0.436 19869 6738 1 18 . 1 1 79 79 ARG H H 79 7.814 7.814 7.512 0.302 19869 6739 1 18 . 1 1 80 80 LEU N N 80 121.039 121.039 120.645 0.394 19869 6740 1 18 . 1 1 80 80 LEU HA H 80 4.130 4.130 4.354 -0.224 19869 6741 1 18 . 1 1 80 80 LEU CA C 80 57.689 57.689 57.830 -0.140 19869 6742 1 18 . 1 1 80 80 LEU CB C 80 41.670 41.670 41.893 -0.223 19869 6743 1 18 . 1 1 80 80 LEU H H 80 7.989 7.989 8.407 -0.418 19869 6744 1 18 . 1 1 81 81 ARG N N 81 117.498 117.498 116.930 0.568 19869 6745 1 18 . 1 1 81 81 ARG HA H 81 3.717 3.717 3.929 -0.212 19869 6746 1 18 . 1 1 81 81 ARG CA C 81 59.030 59.030 59.298 -0.268 19869 6747 1 18 . 1 1 81 81 ARG CB C 81 29.500 29.500 30.028 -0.528 19869 6748 1 18 . 1 1 81 81 ARG H H 81 8.241 8.241 7.523 0.718 19869 6749 1 18 . 1 1 82 82 GLU N N 82 117.300 117.300 119.326 -2.026 19869 6750 1 18 . 1 1 82 82 GLU HA H 82 4.060 4.060 4.117 -0.057 19869 6751 1 18 . 1 1 82 82 GLU CA C 82 58.205 58.205 58.589 -0.383 19869 6752 1 18 . 1 1 82 82 GLU CB C 82 29.539 29.539 28.694 0.845 19869 6753 1 18 . 1 1 82 82 GLU H H 82 7.671 7.671 7.770 -0.099 19869 6754 1 18 . 1 1 83 83 GLN N N 83 117.205 117.205 118.433 -1.228 19869 6755 1 18 . 1 1 83 83 GLN HA H 83 4.192 4.192 4.150 0.042 19869 6756 1 18 . 1 1 83 83 GLN CA C 83 56.940 56.940 57.966 -1.026 19869 6757 1 18 . 1 1 83 83 GLN CB C 83 29.110 29.110 28.795 0.315 19869 6758 1 18 . 1 1 83 83 GLN H H 83 7.745 7.745 8.259 -0.514 19869 6759 1 18 . 1 1 84 84 LEU N N 84 120.465 120.465 118.516 1.949 19869 6760 1 18 . 1 1 84 84 LEU HA H 84 4.301 4.301 4.365 -0.064 19869 6761 1 18 . 1 1 84 84 LEU CA C 84 55.180 55.180 55.388 -0.208 19869 6762 1 18 . 1 1 84 84 LEU CB C 84 42.190 42.190 42.497 -0.307 19869 6763 1 18 . 1 1 84 84 LEU H H 84 7.500 7.500 7.580 -0.080 19869 6764 1 18 . 1 1 85 85 LYS N N 85 126.524 126.524 118.814 7.710 19869 6765 1 18 . 1 1 85 85 LYS HA H 85 4.063 4.063 4.587 -0.524 19869 6766 1 18 . 1 1 85 85 LYS CA C 85 57.499 57.499 55.204 2.295 19869 6767 1 18 . 1 1 85 85 LYS CB C 85 33.640 33.640 34.674 -1.034 19869 6768 1 18 . 1 1 85 85 LYS H H 85 7.525 7.525 7.320 0.205 19869 6769 1 19 . 1 1 8 8 PRO HA H 8 4.396 4.396 4.670 -0.274 19869 6770 1 19 . 1 1 8 8 PRO CA C 8 63.046 63.046 62.353 0.693 19869 6771 1 19 . 1 1 8 8 PRO CB C 8 32.151 32.151 32.652 -0.501 19869 6772 1 19 . 1 1 9 9 LYS N N 9 121.282 121.282 120.458 0.824 19869 6773 1 19 . 1 1 9 9 LYS HA H 9 4.373 4.373 4.114 0.259 19869 6774 1 19 . 1 1 9 9 LYS CA C 9 56.140 56.140 56.825 -0.685 19869 6775 1 19 . 1 1 9 9 LYS CB C 9 33.680 33.680 31.670 2.010 19869 6776 1 19 . 1 1 9 9 LYS H H 9 8.363 8.363 8.268 0.095 19869 6777 1 19 . 1 1 10 10 THR N N 10 117.787 117.787 116.906 0.881 19869 6778 1 19 . 1 1 10 10 THR HA H 10 4.357 4.357 4.387 -0.030 19869 6779 1 19 . 1 1 10 10 THR CA C 10 61.620 61.620 61.008 0.612 19869 6780 1 19 . 1 1 10 10 THR CB C 10 70.393 70.393 70.360 0.033 19869 6781 1 19 . 1 1 10 10 THR H H 10 8.675 8.675 8.279 0.396 19869 6782 1 19 . 1 1 11 11 ARG N N 11 123.980 123.980 124.485 -0.505 19869 6783 1 19 . 1 1 11 11 ARG HA H 11 5.043 5.043 5.156 -0.113 19869 6784 1 19 . 1 1 11 11 ARG CA C 11 55.142 55.142 55.196 -0.054 19869 6785 1 19 . 1 1 11 11 ARG CB C 11 32.130 32.130 32.100 0.030 19869 6786 1 19 . 1 1 11 11 ARG H H 11 8.322 8.322 8.497 -0.175 19869 6787 1 19 . 1 1 12 12 VAL N N 12 124.311 124.311 122.772 1.539 19869 6788 1 19 . 1 1 12 12 VAL HA H 12 4.410 4.410 4.476 -0.066 19869 6789 1 19 . 1 1 12 12 VAL CA C 12 60.866 60.866 60.256 0.610 19869 6790 1 19 . 1 1 12 12 VAL CB C 12 35.447 35.447 35.444 0.003 19869 6791 1 19 . 1 1 12 12 VAL H H 12 8.853 8.853 9.183 -0.330 19869 6792 1 19 . 1 1 13 13 SER N N 13 122.286 122.286 123.256 -0.970 19869 6793 1 19 . 1 1 13 13 SER HA H 13 5.435 5.435 5.428 0.007 19869 6794 1 19 . 1 1 13 13 SER CA C 13 57.199 57.199 57.377 -0.178 19869 6795 1 19 . 1 1 13 13 SER CB C 13 63.535 63.535 64.142 -0.607 19869 6796 1 19 . 1 1 13 13 SER H H 13 8.581 8.581 8.563 0.018 19869 6797 1 19 . 1 1 14 14 VAL N N 14 119.340 119.340 120.152 -0.812 19869 6798 1 19 . 1 1 14 14 VAL HA H 14 4.491 4.491 4.713 -0.222 19869 6799 1 19 . 1 1 14 14 VAL CA C 14 56.271 56.271 59.674 -3.403 19869 6800 1 19 . 1 1 14 14 VAL CB C 14 35.709 35.709 35.349 0.360 19869 6801 1 19 . 1 1 14 14 VAL H H 14 9.154 9.154 9.062 0.092 19869 6802 1 19 . 1 1 15 15 ARG N N 15 123.689 123.689 123.933 -0.244 19869 6803 1 19 . 1 1 15 15 ARG HA H 15 5.333 5.333 5.214 0.119 19869 6804 1 19 . 1 1 15 15 ARG CA C 15 54.830 54.830 55.482 -0.652 19869 6805 1 19 . 1 1 15 15 ARG CB C 15 31.780 31.780 31.260 0.520 19869 6806 1 19 . 1 1 15 15 ARG H H 15 8.467 8.467 8.512 -0.045 19869 6807 1 19 . 1 1 16 16 ILE N N 16 125.117 125.117 127.038 -1.921 19869 6808 1 19 . 1 1 16 16 ILE HA H 16 4.189 4.189 4.403 -0.214 19869 6809 1 19 . 1 1 16 16 ILE CA C 16 61.240 61.240 60.911 0.329 19869 6810 1 19 . 1 1 16 16 ILE CB C 16 41.680 41.680 39.852 1.828 19869 6811 1 19 . 1 1 16 16 ILE H H 16 9.174 9.174 9.276 -0.102 19869 6812 1 19 . 1 1 17 17 TYR N N 17 137.064 137.064 128.969 8.095 19869 6813 1 19 . 1 1 17 17 TYR HA H 17 3.836 3.836 4.196 -0.360 19869 6814 1 19 . 1 1 17 17 TYR CA C 17 59.876 59.876 59.671 0.205 19869 6815 1 19 . 1 1 17 17 TYR CB C 17 39.379 39.379 36.845 2.534 19869 6816 1 19 . 1 1 17 17 TYR H H 17 10.623 10.623 9.565 1.058 19869 6817 1 19 . 1 1 18 18 GLY N N 18 102.991 102.991 104.503 -1.512 19869 6818 1 19 . 1 1 18 18 GLY CA C 18 45.674 45.674 44.995 0.680 19869 6819 1 19 . 1 1 18 18 GLY H H 18 8.604 8.604 8.611 -0.007 19869 6820 1 19 . 1 1 19 19 GLN N N 19 119.104 119.104 121.493 -2.389 19869 6821 1 19 . 1 1 19 19 GLN HA H 19 4.566 4.566 4.407 0.160 19869 6822 1 19 . 1 1 19 19 GLN CA C 19 53.719 53.719 54.826 -1.107 19869 6823 1 19 . 1 1 19 19 GLN CB C 19 32.230 32.230 30.326 1.904 19869 6824 1 19 . 1 1 19 19 GLN H H 19 7.724 7.724 7.772 -0.048 19869 6825 1 19 . 1 1 20 20 ASP N N 20 121.913 121.913 121.558 0.355 19869 6826 1 19 . 1 1 20 20 ASP HA H 20 5.340 5.340 4.883 0.458 19869 6827 1 19 . 1 1 20 20 ASP CA C 20 54.370 54.370 53.792 0.578 19869 6828 1 19 . 1 1 20 20 ASP CB C 20 42.600 42.600 41.665 0.935 19869 6829 1 19 . 1 1 20 20 ASP H H 20 8.217 8.217 8.281 -0.064 19869 6830 1 19 . 1 1 21 21 TYR N N 21 120.801 120.801 125.624 -4.823 19869 6831 1 19 . 1 1 21 21 TYR HA H 21 4.538 4.538 4.791 -0.253 19869 6832 1 19 . 1 1 21 21 TYR CA C 21 57.640 57.640 56.720 0.920 19869 6833 1 19 . 1 1 21 21 TYR CB C 21 42.201 42.201 42.739 -0.537 19869 6834 1 19 . 1 1 21 21 TYR H H 21 9.330 9.330 9.177 0.153 19869 6835 1 19 . 1 1 22 22 THR N N 22 118.813 118.813 120.423 -1.610 19869 6836 1 19 . 1 1 22 22 THR HA H 22 4.390 4.390 5.422 -1.032 19869 6837 1 19 . 1 1 22 22 THR CA C 22 63.230 63.230 61.351 1.879 19869 6838 1 19 . 1 1 22 22 THR CB C 22 69.380 69.380 69.835 -0.455 19869 6839 1 19 . 1 1 22 22 THR H H 22 8.888 8.888 8.522 0.366 19869 6840 1 19 . 1 1 23 23 ILE N N 23 129.291 129.291 122.266 7.025 19869 6841 1 19 . 1 1 23 23 ILE HA H 23 4.268 4.268 4.784 -0.516 19869 6842 1 19 . 1 1 23 23 ILE CA C 23 59.121 59.121 58.945 0.176 19869 6843 1 19 . 1 1 23 23 ILE CB C 23 37.060 37.060 40.825 -3.765 19869 6844 1 19 . 1 1 23 23 ILE H H 23 9.212 9.212 9.031 0.181 19869 6845 1 19 . 1 1 24 24 VAL N N 24 127.112 127.112 120.452 6.660 19869 6846 1 19 . 1 1 24 24 VAL HA H 24 5.073 5.073 4.342 0.731 19869 6847 1 19 . 1 1 24 24 VAL CA C 24 60.246 60.246 63.062 -2.816 19869 6848 1 19 . 1 1 24 24 VAL CB C 24 33.415 33.415 31.615 1.800 19869 6849 1 19 . 1 1 24 24 VAL H H 24 8.345 8.345 8.413 -0.068 19869 6850 1 19 . 1 1 25 25 GLY N N 25 113.745 113.745 117.221 -3.476 19869 6851 1 19 . 1 1 25 25 GLY CA C 25 45.920 45.920 44.558 1.362 19869 6852 1 19 . 1 1 25 25 GLY H H 25 8.540 8.540 8.832 -0.292 19869 6853 1 19 . 1 1 26 26 ALA N N 26 123.321 123.321 123.860 -0.539 19869 6854 1 19 . 1 1 26 26 ALA HA H 26 4.644 4.644 4.369 0.275 19869 6855 1 19 . 1 1 26 26 ALA CA C 26 51.639 51.639 52.103 -0.464 19869 6856 1 19 . 1 1 26 26 ALA CB C 26 19.725 19.725 17.024 2.701 19869 6857 1 19 . 1 1 26 26 ALA H H 26 8.593 8.593 8.246 0.347 19869 6858 1 19 . 1 1 27 27 GLU N N 27 118.135 118.135 120.710 -2.575 19869 6859 1 19 . 1 1 27 27 GLU HA H 27 4.302 4.302 4.462 -0.160 19869 6860 1 19 . 1 1 27 27 GLU CA C 27 55.670 55.670 56.736 -1.066 19869 6861 1 19 . 1 1 27 27 GLU CB C 27 30.724 30.724 31.142 -0.418 19869 6862 1 19 . 1 1 27 27 GLU H H 27 8.120 8.120 8.266 -0.146 19869 6863 1 19 . 1 1 28 28 SER N N 28 115.651 115.651 114.714 0.937 19869 6864 1 19 . 1 1 28 28 SER HA H 28 4.700 4.700 4.970 -0.270 19869 6865 1 19 . 1 1 28 28 SER CA C 28 56.044 56.044 56.032 0.012 19869 6866 1 19 . 1 1 28 28 SER H H 28 8.723 8.723 7.843 0.880 19869 6867 1 19 . 1 1 29 29 PRO HA H 29 4.111 4.111 4.187 -0.076 19869 6868 1 19 . 1 1 29 29 PRO CA C 29 65.792 65.792 65.760 0.032 19869 6869 1 19 . 1 1 29 29 PRO CB C 29 31.750 31.750 31.939 -0.189 19869 6870 1 19 . 1 1 30 30 ALA N N 30 117.252 117.252 119.933 -2.681 19869 6871 1 19 . 1 1 30 30 ALA HA H 30 4.028 4.028 4.169 -0.141 19869 6872 1 19 . 1 1 30 30 ALA CA C 30 55.258 55.258 54.641 0.617 19869 6873 1 19 . 1 1 30 30 ALA CB C 30 18.240 18.240 18.128 0.112 19869 6874 1 19 . 1 1 30 30 ALA H H 30 7.994 7.994 8.280 -0.286 19869 6875 1 19 . 1 1 31 31 HIS N N 31 119.161 119.161 118.266 0.895 19869 6876 1 19 . 1 1 31 31 HIS HA H 31 4.278 4.278 4.305 -0.027 19869 6877 1 19 . 1 1 31 31 HIS CA C 31 59.697 59.697 58.734 0.963 19869 6878 1 19 . 1 1 31 31 HIS CB C 31 30.320 30.320 30.009 0.312 19869 6879 1 19 . 1 1 31 31 HIS H H 31 7.902 7.902 8.127 -0.225 19869 6880 1 19 . 1 1 32 32 ILE N N 32 118.000 118.000 114.452 3.548 19869 6881 1 19 . 1 1 32 32 ILE HA H 32 3.478 3.478 4.016 -0.538 19869 6882 1 19 . 1 1 32 32 ILE CA C 32 63.480 63.480 63.516 -0.036 19869 6883 1 19 . 1 1 32 32 ILE CB C 32 36.290 36.290 37.766 -1.476 19869 6884 1 19 . 1 1 32 32 ILE H H 32 8.092 8.092 8.374 -0.282 19869 6885 1 19 . 1 1 33 33 ARG N N 33 118.612 118.612 118.719 -0.107 19869 6886 1 19 . 1 1 33 33 ARG HA H 33 3.911 3.911 4.368 -0.457 19869 6887 1 19 . 1 1 33 33 ARG CA C 33 60.741 60.741 58.169 2.572 19869 6888 1 19 . 1 1 33 33 ARG CB C 33 29.839 29.839 30.759 -0.920 19869 6889 1 19 . 1 1 33 33 ARG H H 33 8.436 8.436 7.244 1.192 19869 6890 1 19 . 1 1 34 34 LEU N N 34 122.935 122.935 121.453 1.482 19869 6891 1 19 . 1 1 34 34 LEU HA H 34 4.154 4.154 4.365 -0.211 19869 6892 1 19 . 1 1 34 34 LEU CA C 34 57.400 57.400 57.545 -0.145 19869 6893 1 19 . 1 1 34 34 LEU CB C 34 41.998 41.998 42.214 -0.216 19869 6894 1 19 . 1 1 34 34 LEU H H 34 7.565 7.565 7.721 -0.156 19869 6895 1 19 . 1 1 35 35 VAL N N 35 121.579 121.579 117.140 4.439 19869 6896 1 19 . 1 1 35 35 VAL HA H 35 3.333 3.333 3.679 -0.346 19869 6897 1 19 . 1 1 35 35 VAL CA C 35 66.440 66.440 66.034 0.406 19869 6898 1 19 . 1 1 35 35 VAL CB C 35 31.149 31.149 30.527 0.622 19869 6899 1 19 . 1 1 35 35 VAL H H 35 8.414 8.414 7.847 0.567 19869 6900 1 19 . 1 1 36 36 ALA N N 36 121.368 121.368 122.145 -0.777 19869 6901 1 19 . 1 1 36 36 ALA HA H 36 3.794 3.794 4.024 -0.230 19869 6902 1 19 . 1 1 36 36 ALA CA C 36 55.555 55.555 54.909 0.646 19869 6903 1 19 . 1 1 36 36 ALA CB C 36 18.310 18.310 18.094 0.216 19869 6904 1 19 . 1 1 36 36 ALA H H 36 8.791 8.791 8.437 0.354 19869 6905 1 19 . 1 1 37 37 ALA N N 37 119.373 119.373 121.023 -1.650 19869 6906 1 19 . 1 1 37 37 ALA HA H 37 4.305 4.305 4.153 0.152 19869 6907 1 19 . 1 1 37 37 ALA CA C 37 54.825 54.825 54.386 0.439 19869 6908 1 19 . 1 1 37 37 ALA CB C 37 18.020 18.020 18.612 -0.592 19869 6909 1 19 . 1 1 37 37 ALA H H 37 7.648 7.648 7.423 0.225 19869 6910 1 19 . 1 1 38 38 PHE N N 38 120.906 120.906 120.118 0.788 19869 6911 1 19 . 1 1 38 38 PHE HA H 38 4.449 4.449 4.218 0.231 19869 6912 1 19 . 1 1 38 38 PHE CA C 38 61.148 61.148 60.981 0.167 19869 6913 1 19 . 1 1 38 38 PHE CB C 38 39.350 39.350 39.421 -0.071 19869 6914 1 19 . 1 1 38 38 PHE H H 38 7.923 7.923 8.265 -0.342 19869 6915 1 19 . 1 1 39 39 VAL N N 39 119.731 119.731 118.544 1.187 19869 6916 1 19 . 1 1 39 39 VAL HA H 39 3.219 3.219 3.260 -0.041 19869 6917 1 19 . 1 1 39 39 VAL CA C 39 67.520 67.520 66.668 0.852 19869 6918 1 19 . 1 1 39 39 VAL CB C 39 32.059 32.059 31.367 0.692 19869 6919 1 19 . 1 1 39 39 VAL H H 39 8.482 8.482 7.872 0.610 19869 6920 1 19 . 1 1 40 40 ASP N N 40 120.200 120.200 119.114 1.086 19869 6921 1 19 . 1 1 40 40 ASP HA H 40 4.449 4.449 4.411 0.038 19869 6922 1 19 . 1 1 40 40 ASP CA C 40 58.600 58.600 57.393 1.207 19869 6923 1 19 . 1 1 40 40 ASP CB C 40 43.300 43.300 40.904 2.396 19869 6924 1 19 . 1 1 40 40 ASP H H 40 8.851 8.851 7.874 0.977 19869 6925 1 19 . 1 1 41 41 ASP N N 41 120.967 120.967 118.672 2.295 19869 6926 1 19 . 1 1 41 41 ASP HA H 41 4.532 4.532 4.572 -0.040 19869 6927 1 19 . 1 1 41 41 ASP CA C 41 57.860 57.860 56.444 1.416 19869 6928 1 19 . 1 1 41 41 ASP CB C 41 40.560 40.560 41.798 -1.238 19869 6929 1 19 . 1 1 41 41 ASP H H 41 8.743 8.743 7.535 1.208 19869 6930 1 19 . 1 1 42 42 LYS N N 42 120.600 120.600 119.447 1.153 19869 6931 1 19 . 1 1 42 42 LYS HA H 42 3.967 3.967 4.213 -0.246 19869 6932 1 19 . 1 1 42 42 LYS CA C 42 57.880 57.880 58.745 -0.865 19869 6933 1 19 . 1 1 42 42 LYS CB C 42 31.440 31.440 32.433 -0.993 19869 6934 1 19 . 1 1 42 42 LYS H H 42 7.990 7.990 7.678 0.312 19869 6935 1 19 . 1 1 43 43 MET N N 43 119.600 119.600 112.624 6.976 19869 6936 1 19 . 1 1 43 43 MET HA H 43 3.957 3.957 4.408 -0.451 19869 6937 1 19 . 1 1 43 43 MET CA C 43 55.600 55.600 57.839 -2.239 19869 6938 1 19 . 1 1 43 43 MET CB C 43 33.950 33.950 31.901 2.050 19869 6939 1 19 . 1 1 43 43 MET H H 43 8.844 8.844 8.468 0.376 19869 6940 1 19 . 1 1 44 44 HIS N N 44 115.981 115.981 121.092 -5.111 19869 6941 1 19 . 1 1 44 44 HIS HA H 44 4.408 4.408 4.917 -0.509 19869 6942 1 19 . 1 1 44 44 HIS CA C 44 61.250 61.250 58.983 2.267 19869 6943 1 19 . 1 1 44 44 HIS CB C 44 28.045 28.045 31.725 -3.680 19869 6944 1 19 . 1 1 44 44 HIS H H 44 8.296 8.296 8.043 0.253 19869 6945 1 19 . 1 1 45 45 GLU N N 45 122.501 122.501 119.097 3.404 19869 6946 1 19 . 1 1 45 45 GLU HA H 45 4.034 4.034 4.074 -0.040 19869 6947 1 19 . 1 1 45 45 GLU CA C 45 59.580 59.580 57.943 1.637 19869 6948 1 19 . 1 1 45 45 GLU CB C 45 29.533 29.533 29.110 0.423 19869 6949 1 19 . 1 1 45 45 GLU H H 45 8.399 8.399 8.023 0.376 19869 6950 1 19 . 1 1 46 46 PHE N N 46 118.451 118.451 120.949 -2.498 19869 6951 1 19 . 1 1 46 46 PHE HA H 46 4.183 4.183 4.400 -0.217 19869 6952 1 19 . 1 1 46 46 PHE CA C 46 61.689 61.689 61.005 0.683 19869 6953 1 19 . 1 1 46 46 PHE CB C 46 38.979 38.979 39.245 -0.266 19869 6954 1 19 . 1 1 46 46 PHE H H 46 8.320 8.320 7.835 0.485 19869 6955 1 19 . 1 1 47 47 SER N N 47 114.878 114.878 113.181 1.697 19869 6956 1 19 . 1 1 47 47 SER HA H 47 4.111 4.111 4.246 -0.135 19869 6957 1 19 . 1 1 47 47 SER CA C 47 60.281 60.281 60.459 -0.178 19869 6958 1 19 . 1 1 47 47 SER CB C 47 63.321 63.321 62.760 0.561 19869 6959 1 19 . 1 1 47 47 SER H H 47 8.278 8.278 8.015 0.263 19869 6960 1 19 . 1 1 48 48 GLU N N 48 118.579 118.579 119.248 -0.669 19869 6961 1 19 . 1 1 48 48 GLU HA H 48 4.059 4.059 4.310 -0.251 19869 6962 1 19 . 1 1 48 48 GLU CA C 48 58.641 58.641 57.400 1.241 19869 6963 1 19 . 1 1 48 48 GLU CB C 48 29.720 29.720 29.894 -0.174 19869 6964 1 19 . 1 1 48 48 GLU H H 48 7.651 7.651 7.447 0.204 19869 6965 1 19 . 1 1 49 49 LYS N N 49 116.048 116.048 117.854 -1.806 19869 6966 1 19 . 1 1 49 49 LYS HA H 49 4.211 4.211 4.192 0.019 19869 6967 1 19 . 1 1 49 49 LYS CA C 49 57.580 57.580 56.793 0.787 19869 6968 1 19 . 1 1 49 49 LYS CB C 49 33.450 33.450 33.070 0.380 19869 6969 1 19 . 1 1 49 49 LYS H H 49 7.281 7.281 7.581 -0.300 19869 6970 1 19 . 1 1 50 50 GLN N N 50 117.953 117.953 115.779 2.174 19869 6971 1 19 . 1 1 50 50 GLN HA H 50 4.249 4.249 4.132 0.117 19869 6972 1 19 . 1 1 50 50 GLN CA C 50 55.610 55.610 55.971 -0.361 19869 6973 1 19 . 1 1 50 50 GLN CB C 50 30.050 30.050 26.829 3.221 19869 6974 1 19 . 1 1 50 50 GLN H H 50 7.930 7.930 7.865 0.065 19869 6975 1 19 . 1 1 51 51 PRO HA H 51 4.597 4.597 4.331 0.266 19869 6976 1 19 . 1 1 51 51 PRO CA C 51 63.600 63.600 65.200 -1.600 19869 6977 1 19 . 1 1 51 51 PRO CB C 51 32.522 32.522 32.051 0.471 19869 6978 1 19 . 1 1 52 52 MET N N 52 115.230 115.230 116.524 -1.294 19869 6979 1 19 . 1 1 52 52 MET HA H 52 4.513 4.513 4.660 -0.147 19869 6980 1 19 . 1 1 52 52 MET CA C 52 55.505 55.505 54.860 0.645 19869 6981 1 19 . 1 1 52 52 MET CB C 52 30.920 30.920 33.710 -2.790 19869 6982 1 19 . 1 1 52 52 MET H H 52 8.558 8.558 7.873 0.685 19869 6983 1 19 . 1 1 53 53 LEU N N 53 120.540 120.540 116.752 3.788 19869 6984 1 19 . 1 1 53 53 LEU HA H 53 4.252 4.252 4.046 0.206 19869 6985 1 19 . 1 1 53 53 LEU CA C 53 55.690 55.690 55.280 0.410 19869 6986 1 19 . 1 1 53 53 LEU CB C 53 42.728 42.728 40.727 2.001 19869 6987 1 19 . 1 1 53 53 LEU H H 53 7.557 7.557 8.005 -0.448 19869 6988 1 19 . 1 1 54 54 ASP N N 54 121.294 121.294 117.533 3.761 19869 6989 1 19 . 1 1 54 54 ASP HA H 54 4.640 4.640 4.792 -0.152 19869 6990 1 19 . 1 1 54 54 ASP CA C 54 52.280 52.280 52.853 -0.573 19869 6991 1 19 . 1 1 54 54 ASP CB C 54 41.330 41.330 43.489 -2.159 19869 6992 1 19 . 1 1 54 54 ASP H H 54 7.941 7.941 7.614 0.327 19869 6993 1 19 . 1 1 55 55 VAL N N 55 118.701 118.701 125.311 -6.610 19869 6994 1 19 . 1 1 55 55 VAL HA H 55 4.277 4.277 3.891 0.386 19869 6995 1 19 . 1 1 55 55 VAL CA C 55 62.510 62.510 66.939 -4.429 19869 6996 1 19 . 1 1 55 55 VAL CB C 55 29.900 29.900 30.120 -0.220 19869 6997 1 19 . 1 1 55 55 VAL H H 55 8.444 8.444 8.700 -0.256 19869 6998 1 19 . 1 1 56 56 PRO HA H 56 3.981 3.981 4.157 -0.176 19869 6999 1 19 . 1 1 56 56 PRO CA C 56 66.840 66.840 65.933 0.906 19869 7000 1 19 . 1 1 56 56 PRO CB C 56 30.875 30.875 31.188 -0.313 19869 7001 1 19 . 1 1 57 57 LYS N N 57 114.335 114.335 117.135 -2.800 19869 7002 1 19 . 1 1 57 57 LYS HA H 57 4.213 4.213 4.059 0.154 19869 7003 1 19 . 1 1 57 57 LYS CA C 57 60.027 60.027 58.302 1.725 19869 7004 1 19 . 1 1 57 57 LYS CB C 57 33.700 33.700 31.655 2.045 19869 7005 1 19 . 1 1 57 57 LYS H H 57 7.224 7.224 8.490 -1.266 19869 7006 1 19 . 1 1 58 58 LEU N N 58 119.010 119.010 120.945 -1.935 19869 7007 1 19 . 1 1 58 58 LEU HA H 58 3.714 3.714 3.950 -0.236 19869 7008 1 19 . 1 1 58 58 LEU CA C 58 57.900 57.900 58.269 -0.369 19869 7009 1 19 . 1 1 58 58 LEU CB C 58 42.966 42.966 41.642 1.324 19869 7010 1 19 . 1 1 58 58 LEU H H 58 8.369 8.369 7.596 0.773 19869 7011 1 19 . 1 1 59 59 ALA N N 59 122.559 122.559 120.215 2.344 19869 7012 1 19 . 1 1 59 59 ALA HA H 59 3.720 3.720 4.127 -0.407 19869 7013 1 19 . 1 1 59 59 ALA CA C 59 55.510 55.510 54.498 1.012 19869 7014 1 19 . 1 1 59 59 ALA CB C 59 19.020 19.020 18.405 0.615 19869 7015 1 19 . 1 1 59 59 ALA H H 59 8.686 8.686 7.866 0.820 19869 7016 1 19 . 1 1 60 60 VAL N N 60 118.664 118.664 118.852 -0.188 19869 7017 1 19 . 1 1 60 60 VAL HA H 60 3.251 3.251 3.833 -0.582 19869 7018 1 19 . 1 1 60 60 VAL CA C 60 67.397 67.397 64.896 2.501 19869 7019 1 19 . 1 1 60 60 VAL CB C 60 31.340 31.340 31.447 -0.107 19869 7020 1 19 . 1 1 60 60 VAL H H 60 7.777 7.777 7.133 0.644 19869 7021 1 19 . 1 1 61 61 LEU N N 61 118.415 118.415 121.297 -2.882 19869 7022 1 19 . 1 1 61 61 LEU HA H 61 3.553 3.553 3.858 -0.305 19869 7023 1 19 . 1 1 61 61 LEU CA C 61 58.150 58.150 58.546 -0.396 19869 7024 1 19 . 1 1 61 61 LEU CB C 61 40.340 40.340 41.583 -1.243 19869 7025 1 19 . 1 1 61 61 LEU H H 61 8.328 8.328 8.461 -0.133 19869 7026 1 19 . 1 1 62 62 THR N N 62 117.416 117.416 112.761 4.655 19869 7027 1 19 . 1 1 62 62 THR HA H 62 4.130 4.130 3.340 0.790 19869 7028 1 19 . 1 1 62 62 THR CA C 62 67.220 67.220 65.729 1.491 19869 7029 1 19 . 1 1 62 62 THR CB C 62 68.364 68.364 68.071 0.293 19869 7030 1 19 . 1 1 62 62 THR H H 62 7.787 7.787 7.475 0.312 19869 7031 1 19 . 1 1 63 63 ALA N N 63 124.319 124.319 124.481 -0.162 19869 7032 1 19 . 1 1 63 63 ALA HA H 63 3.746 3.746 3.970 -0.224 19869 7033 1 19 . 1 1 63 63 ALA CA C 63 56.243 56.243 54.854 1.389 19869 7034 1 19 . 1 1 63 63 ALA CB C 63 17.121 17.121 18.046 -0.925 19869 7035 1 19 . 1 1 63 63 ALA H H 63 8.175 8.175 7.335 0.840 19869 7036 1 19 . 1 1 64 64 VAL N N 64 116.756 116.756 118.706 -1.950 19869 7037 1 19 . 1 1 64 64 VAL HA H 64 3.324 3.324 3.622 -0.298 19869 7038 1 19 . 1 1 64 64 VAL CA C 64 66.543 66.543 65.902 0.641 19869 7039 1 19 . 1 1 64 64 VAL CB C 64 31.340 31.340 31.780 -0.440 19869 7040 1 19 . 1 1 64 64 VAL H H 64 8.422 8.422 8.067 0.355 19869 7041 1 19 . 1 1 65 65 GLN N N 65 120.091 120.091 120.246 -0.155 19869 7042 1 19 . 1 1 65 65 GLN HA H 65 4.015 4.015 4.245 -0.230 19869 7043 1 19 . 1 1 65 65 GLN CA C 65 59.290 59.290 58.775 0.515 19869 7044 1 19 . 1 1 65 65 GLN CB C 65 28.450 28.450 29.051 -0.601 19869 7045 1 19 . 1 1 65 65 GLN H H 65 7.924 7.924 7.468 0.456 19869 7046 1 19 . 1 1 66 66 ILE N N 66 118.358 118.358 120.681 -2.323 19869 7047 1 19 . 1 1 66 66 ILE HA H 66 3.526 3.526 3.762 -0.236 19869 7048 1 19 . 1 1 66 66 ILE CA C 66 65.305 65.305 65.333 -0.028 19869 7049 1 19 . 1 1 66 66 ILE H H 66 8.441 8.441 8.673 -0.232 19869 7050 1 19 . 1 1 67 67 ALA N N 67 121.518 121.518 121.182 0.336 19869 7051 1 19 . 1 1 67 67 ALA HA H 67 4.025 4.025 4.000 0.025 19869 7052 1 19 . 1 1 67 67 ALA CA C 67 55.501 55.501 55.530 -0.029 19869 7053 1 19 . 1 1 67 67 ALA CB C 67 19.668 19.668 18.286 1.382 19869 7054 1 19 . 1 1 67 67 ALA H H 67 8.947 8.947 8.187 0.760 19869 7055 1 19 . 1 1 68 68 SER N N 68 112.523 112.523 114.617 -2.094 19869 7056 1 19 . 1 1 68 68 SER HA H 68 4.174 4.174 4.193 -0.019 19869 7057 1 19 . 1 1 68 68 SER CA C 68 61.429 61.429 62.030 -0.601 19869 7058 1 19 . 1 1 68 68 SER CB C 68 63.011 63.011 62.862 0.149 19869 7059 1 19 . 1 1 68 68 SER H H 68 8.492 8.492 7.834 0.658 19869 7060 1 19 . 1 1 69 69 GLU N N 69 117.397 117.397 122.779 -5.382 19869 7061 1 19 . 1 1 69 69 GLU HA H 69 3.998 3.998 4.098 -0.100 19869 7062 1 19 . 1 1 69 69 GLU CA C 69 59.181 59.181 59.640 -0.459 19869 7063 1 19 . 1 1 69 69 GLU CB C 69 28.760 28.760 29.692 -0.932 19869 7064 1 19 . 1 1 69 69 GLU H H 69 7.579 7.579 8.691 -1.112 19869 7065 1 19 . 1 1 70 70 TYR N N 70 120.853 120.853 118.544 2.309 19869 7066 1 19 . 1 1 70 70 TYR HA H 70 4.352 4.352 4.480 -0.128 19869 7067 1 19 . 1 1 70 70 TYR CA C 70 60.530 60.530 60.563 -0.034 19869 7068 1 19 . 1 1 70 70 TYR CB C 70 38.480 38.480 38.544 -0.064 19869 7069 1 19 . 1 1 70 70 TYR H H 70 8.635 8.635 8.072 0.563 19869 7070 1 19 . 1 1 71 71 LEU N N 71 119.400 119.400 122.011 -2.611 19869 7071 1 19 . 1 1 71 71 LEU HA H 71 3.554 3.554 3.965 -0.411 19869 7072 1 19 . 1 1 71 71 LEU CA C 71 58.368 58.368 58.266 0.102 19869 7073 1 19 . 1 1 71 71 LEU CB C 71 40.564 40.564 42.028 -1.464 19869 7074 1 19 . 1 1 71 71 LEU H H 71 8.836 8.836 8.376 0.460 19869 7075 1 19 . 1 1 72 72 LYS N N 72 119.127 119.127 116.634 2.493 19869 7076 1 19 . 1 1 72 72 LYS HA H 72 4.095 4.095 4.340 -0.245 19869 7077 1 19 . 1 1 72 72 LYS CA C 72 59.780 59.780 58.669 1.111 19869 7078 1 19 . 1 1 72 72 LYS CB C 72 32.640 32.640 31.921 0.719 19869 7079 1 19 . 1 1 72 72 LYS H H 72 7.957 7.957 8.127 -0.170 19869 7080 1 19 . 1 1 73 73 LEU N N 73 122.487 122.487 120.948 1.539 19869 7081 1 19 . 1 1 73 73 LEU HA H 73 4.127 4.127 4.679 -0.552 19869 7082 1 19 . 1 1 73 73 LEU CA C 73 57.340 57.340 56.647 0.693 19869 7083 1 19 . 1 1 73 73 LEU CB C 73 41.020 41.020 42.796 -1.776 19869 7084 1 19 . 1 1 73 73 LEU H H 73 8.033 8.033 7.583 0.450 19869 7085 1 19 . 1 1 74 74 LYS N N 74 120.309 120.309 119.552 0.757 19869 7086 1 19 . 1 1 74 74 LYS HA H 74 3.759 3.759 4.129 -0.370 19869 7087 1 19 . 1 1 74 74 LYS CA C 74 60.700 60.700 59.455 1.245 19869 7088 1 19 . 1 1 74 74 LYS CB C 74 32.140 32.140 32.204 -0.064 19869 7089 1 19 . 1 1 74 74 LYS H H 74 8.750 8.750 7.827 0.923 19869 7090 1 19 . 1 1 75 75 GLU N N 75 118.296 118.296 119.448 -1.152 19869 7091 1 19 . 1 1 75 75 GLU HA H 75 4.098 4.098 4.165 -0.067 19869 7092 1 19 . 1 1 75 75 GLU CA C 75 59.330 59.330 58.785 0.545 19869 7093 1 19 . 1 1 75 75 GLU CB C 75 29.500 29.500 29.463 0.037 19869 7094 1 19 . 1 1 75 75 GLU H H 75 7.274 7.274 8.079 -0.805 19869 7095 1 19 . 1 1 76 76 GLU N N 76 120.788 120.788 119.793 0.995 19869 7096 1 19 . 1 1 76 76 GLU HA H 76 4.152 4.152 4.028 0.124 19869 7097 1 19 . 1 1 76 76 GLU CA C 76 59.082 59.082 58.463 0.619 19869 7098 1 19 . 1 1 76 76 GLU CB C 76 29.235 29.235 29.071 0.164 19869 7099 1 19 . 1 1 76 76 GLU H H 76 7.756 7.756 7.839 -0.083 19869 7100 1 19 . 1 1 77 77 TYR N N 77 121.399 121.399 122.254 -0.855 19869 7101 1 19 . 1 1 77 77 TYR HA H 77 4.210 4.210 4.077 0.133 19869 7102 1 19 . 1 1 77 77 TYR CA C 77 61.704 61.704 60.267 1.437 19869 7103 1 19 . 1 1 77 77 TYR CB C 77 38.889 38.889 38.149 0.740 19869 7104 1 19 . 1 1 77 77 TYR H H 77 9.401 9.401 7.636 1.765 19869 7105 1 19 . 1 1 78 78 GLN N N 78 118.068 118.068 117.487 0.581 19869 7106 1 19 . 1 1 78 78 GLN HA H 78 3.784 3.784 3.662 0.122 19869 7107 1 19 . 1 1 78 78 GLN CA C 78 58.915 58.915 58.693 0.222 19869 7108 1 19 . 1 1 78 78 GLN CB C 78 27.880 27.880 28.438 -0.558 19869 7109 1 19 . 1 1 78 78 GLN H H 78 8.169 8.169 7.677 0.492 19869 7110 1 19 . 1 1 79 79 ARG N N 79 118.446 118.446 120.815 -2.369 19869 7111 1 19 . 1 1 79 79 ARG HA H 79 4.045 4.045 4.014 0.031 19869 7112 1 19 . 1 1 79 79 ARG CA C 79 59.310 59.310 59.567 -0.257 19869 7113 1 19 . 1 1 79 79 ARG CB C 79 30.220 30.220 30.364 -0.145 19869 7114 1 19 . 1 1 79 79 ARG H H 79 7.814 7.814 7.894 -0.080 19869 7115 1 19 . 1 1 80 80 LEU N N 80 121.039 121.039 115.423 5.616 19869 7116 1 19 . 1 1 80 80 LEU HA H 80 4.130 4.130 4.698 -0.568 19869 7117 1 19 . 1 1 80 80 LEU CA C 80 57.689 57.689 57.303 0.386 19869 7118 1 19 . 1 1 80 80 LEU CB C 80 41.670 41.670 41.646 0.024 19869 7119 1 19 . 1 1 80 80 LEU H H 80 7.989 7.989 8.233 -0.244 19869 7120 1 19 . 1 1 81 81 ARG N N 81 117.498 117.498 119.426 -1.928 19869 7121 1 19 . 1 1 81 81 ARG HA H 81 3.717 3.717 4.032 -0.315 19869 7122 1 19 . 1 1 81 81 ARG CA C 81 59.030 59.030 59.054 -0.024 19869 7123 1 19 . 1 1 81 81 ARG CB C 81 29.500 29.500 29.891 -0.391 19869 7124 1 19 . 1 1 81 81 ARG H H 81 8.241 8.241 7.812 0.429 19869 7125 1 19 . 1 1 82 82 GLU N N 82 117.300 117.300 117.867 -0.567 19869 7126 1 19 . 1 1 82 82 GLU HA H 82 4.060 4.060 4.147 -0.087 19869 7127 1 19 . 1 1 82 82 GLU CA C 82 58.205 58.205 58.537 -0.332 19869 7128 1 19 . 1 1 82 82 GLU CB C 82 29.539 29.539 28.834 0.705 19869 7129 1 19 . 1 1 82 82 GLU H H 82 7.671 7.671 8.374 -0.703 19869 7130 1 19 . 1 1 83 83 GLN N N 83 117.205 117.205 117.564 -0.359 19869 7131 1 19 . 1 1 83 83 GLN HA H 83 4.192 4.192 4.281 -0.089 19869 7132 1 19 . 1 1 83 83 GLN CA C 83 56.940 56.940 57.176 -0.236 19869 7133 1 19 . 1 1 83 83 GLN CB C 83 29.110 29.110 29.113 -0.002 19869 7134 1 19 . 1 1 83 83 GLN H H 83 7.745 7.745 7.511 0.234 19869 7135 1 19 . 1 1 84 84 LEU N N 84 120.465 120.465 120.075 0.390 19869 7136 1 19 . 1 1 84 84 LEU HA H 84 4.301 4.301 4.368 -0.067 19869 7137 1 19 . 1 1 84 84 LEU CA C 84 55.180 55.180 54.769 0.411 19869 7138 1 19 . 1 1 84 84 LEU CB C 84 42.190 42.190 41.718 0.472 19869 7139 1 19 . 1 1 84 84 LEU H H 84 7.500 7.500 7.382 0.118 19869 7140 1 19 . 1 1 85 85 LYS N N 85 126.524 126.524 119.729 6.795 19869 7141 1 19 . 1 1 85 85 LYS HA H 85 4.063 4.063 4.555 -0.492 19869 7142 1 19 . 1 1 85 85 LYS CA C 85 57.499 57.499 55.210 2.289 19869 7143 1 19 . 1 1 85 85 LYS CB C 85 33.640 33.640 33.804 -0.164 19869 7144 1 19 . 1 1 85 85 LYS H H 85 7.525 7.525 7.224 0.301 19869 7145 1 20 . 1 1 8 8 PRO HA H 8 4.396 4.396 4.636 -0.240 19869 7146 1 20 . 1 1 8 8 PRO CA C 8 63.046 63.046 62.038 1.008 19869 7147 1 20 . 1 1 8 8 PRO CB C 8 32.151 32.151 32.998 -0.847 19869 7148 1 20 . 1 1 9 9 LYS N N 9 121.282 121.282 120.117 1.165 19869 7149 1 20 . 1 1 9 9 LYS HA H 9 4.373 4.373 4.164 0.209 19869 7150 1 20 . 1 1 9 9 LYS CA C 9 56.140 56.140 56.756 -0.616 19869 7151 1 20 . 1 1 9 9 LYS CB C 9 33.680 33.680 31.067 2.613 19869 7152 1 20 . 1 1 9 9 LYS H H 9 8.363 8.363 8.397 -0.034 19869 7153 1 20 . 1 1 10 10 THR N N 10 117.787 117.787 117.882 -0.095 19869 7154 1 20 . 1 1 10 10 THR HA H 10 4.357 4.357 4.481 -0.124 19869 7155 1 20 . 1 1 10 10 THR CA C 10 61.620 61.620 60.322 1.298 19869 7156 1 20 . 1 1 10 10 THR CB C 10 70.393 70.393 70.441 -0.048 19869 7157 1 20 . 1 1 10 10 THR H H 10 8.675 8.675 8.018 0.657 19869 7158 1 20 . 1 1 11 11 ARG N N 11 123.980 123.980 123.147 0.833 19869 7159 1 20 . 1 1 11 11 ARG HA H 11 5.043 5.043 5.081 -0.038 19869 7160 1 20 . 1 1 11 11 ARG CA C 11 55.142 55.142 55.308 -0.166 19869 7161 1 20 . 1 1 11 11 ARG CB C 11 32.130 32.130 31.702 0.428 19869 7162 1 20 . 1 1 11 11 ARG H H 11 8.322 8.322 8.473 -0.151 19869 7163 1 20 . 1 1 12 12 VAL N N 12 124.311 124.311 123.548 0.763 19869 7164 1 20 . 1 1 12 12 VAL HA H 12 4.410 4.410 4.479 -0.069 19869 7165 1 20 . 1 1 12 12 VAL CA C 12 60.866 60.866 60.426 0.440 19869 7166 1 20 . 1 1 12 12 VAL CB C 12 35.447 35.447 35.253 0.194 19869 7167 1 20 . 1 1 12 12 VAL H H 12 8.853 8.853 9.128 -0.275 19869 7168 1 20 . 1 1 13 13 SER N N 13 122.286 122.286 123.608 -1.322 19869 7169 1 20 . 1 1 13 13 SER HA H 13 5.435 5.435 5.537 -0.102 19869 7170 1 20 . 1 1 13 13 SER CA C 13 57.199 57.199 57.023 0.177 19869 7171 1 20 . 1 1 13 13 SER CB C 13 63.535 63.535 63.467 0.068 19869 7172 1 20 . 1 1 13 13 SER H H 13 8.581 8.581 8.471 0.110 19869 7173 1 20 . 1 1 14 14 VAL N N 14 119.340 119.340 120.321 -0.981 19869 7174 1 20 . 1 1 14 14 VAL HA H 14 4.491 4.491 4.511 -0.020 19869 7175 1 20 . 1 1 14 14 VAL CA C 14 56.271 56.271 59.610 -3.339 19869 7176 1 20 . 1 1 14 14 VAL CB C 14 35.709 35.709 35.443 0.266 19869 7177 1 20 . 1 1 14 14 VAL H H 14 9.154 9.154 8.937 0.217 19869 7178 1 20 . 1 1 15 15 ARG N N 15 123.689 123.689 125.948 -2.259 19869 7179 1 20 . 1 1 15 15 ARG HA H 15 5.333 5.333 4.704 0.629 19869 7180 1 20 . 1 1 15 15 ARG CA C 15 54.830 54.830 55.874 -1.044 19869 7181 1 20 . 1 1 15 15 ARG CB C 15 31.780 31.780 30.691 1.089 19869 7182 1 20 . 1 1 15 15 ARG H H 15 8.467 8.467 8.550 -0.083 19869 7183 1 20 . 1 1 16 16 ILE N N 16 125.117 125.117 126.328 -1.211 19869 7184 1 20 . 1 1 16 16 ILE HA H 16 4.189 4.189 4.413 -0.224 19869 7185 1 20 . 1 1 16 16 ILE CA C 16 61.240 61.240 60.823 0.417 19869 7186 1 20 . 1 1 16 16 ILE CB C 16 41.680 41.680 40.056 1.624 19869 7187 1 20 . 1 1 16 16 ILE H H 16 9.174 9.174 8.988 0.186 19869 7188 1 20 . 1 1 17 17 TYR N N 17 137.064 137.064 128.377 8.687 19869 7189 1 20 . 1 1 17 17 TYR HA H 17 3.836 3.836 4.159 -0.323 19869 7190 1 20 . 1 1 17 17 TYR CA C 17 59.876 59.876 60.462 -0.587 19869 7191 1 20 . 1 1 17 17 TYR CB C 17 39.379 39.379 37.730 1.649 19869 7192 1 20 . 1 1 17 17 TYR H H 17 10.623 10.623 9.995 0.628 19869 7193 1 20 . 1 1 18 18 GLY N N 18 102.991 102.991 103.610 -0.619 19869 7194 1 20 . 1 1 18 18 GLY CA C 18 45.674 45.674 44.939 0.735 19869 7195 1 20 . 1 1 18 18 GLY H H 18 8.604 8.604 8.288 0.316 19869 7196 1 20 . 1 1 19 19 GLN N N 19 119.104 119.104 120.712 -1.608 19869 7197 1 20 . 1 1 19 19 GLN HA H 19 4.566 4.566 4.595 -0.029 19869 7198 1 20 . 1 1 19 19 GLN CA C 19 53.719 53.719 54.031 -0.312 19869 7199 1 20 . 1 1 19 19 GLN CB C 19 32.230 32.230 30.679 1.551 19869 7200 1 20 . 1 1 19 19 GLN H H 19 7.724 7.724 7.852 -0.128 19869 7201 1 20 . 1 1 20 20 ASP N N 20 121.913 121.913 120.262 1.651 19869 7202 1 20 . 1 1 20 20 ASP HA H 20 5.340 5.340 5.226 0.114 19869 7203 1 20 . 1 1 20 20 ASP CA C 20 54.370 54.370 52.559 1.811 19869 7204 1 20 . 1 1 20 20 ASP CB C 20 42.600 42.600 42.393 0.207 19869 7205 1 20 . 1 1 20 20 ASP H H 20 8.217 8.217 8.180 0.037 19869 7206 1 20 . 1 1 21 21 TYR N N 21 120.801 120.801 120.486 0.315 19869 7207 1 20 . 1 1 21 21 TYR HA H 21 4.538 4.538 4.740 -0.202 19869 7208 1 20 . 1 1 21 21 TYR CA C 21 57.640 57.640 55.746 1.894 19869 7209 1 20 . 1 1 21 21 TYR CB C 21 42.201 42.201 42.748 -0.547 19869 7210 1 20 . 1 1 21 21 TYR H H 21 9.330 9.330 8.799 0.531 19869 7211 1 20 . 1 1 22 22 THR N N 22 118.813 118.813 118.688 0.125 19869 7212 1 20 . 1 1 22 22 THR HA H 22 4.390 4.390 5.070 -0.680 19869 7213 1 20 . 1 1 22 22 THR CA C 22 63.230 63.230 61.914 1.316 19869 7214 1 20 . 1 1 22 22 THR CB C 22 69.380 69.380 68.482 0.898 19869 7215 1 20 . 1 1 22 22 THR H H 22 8.888 8.888 8.622 0.266 19869 7216 1 20 . 1 1 23 23 ILE N N 23 129.291 129.291 122.109 7.182 19869 7217 1 20 . 1 1 23 23 ILE HA H 23 4.268 4.268 4.799 -0.531 19869 7218 1 20 . 1 1 23 23 ILE CA C 23 59.121 59.121 58.949 0.172 19869 7219 1 20 . 1 1 23 23 ILE CB C 23 37.060 37.060 41.071 -4.011 19869 7220 1 20 . 1 1 23 23 ILE H H 23 9.212 9.212 9.071 0.141 19869 7221 1 20 . 1 1 24 24 VAL N N 24 127.112 127.112 121.509 5.603 19869 7222 1 20 . 1 1 24 24 VAL HA H 24 5.073 5.073 4.276 0.797 19869 7223 1 20 . 1 1 24 24 VAL CA C 24 60.246 60.246 62.745 -2.499 19869 7224 1 20 . 1 1 24 24 VAL CB C 24 33.415 33.415 31.767 1.648 19869 7225 1 20 . 1 1 24 24 VAL H H 24 8.345 8.345 8.417 -0.072 19869 7226 1 20 . 1 1 25 25 GLY N N 25 113.745 113.745 116.221 -2.476 19869 7227 1 20 . 1 1 25 25 GLY CA C 25 45.920 45.920 45.423 0.497 19869 7228 1 20 . 1 1 25 25 GLY H H 25 8.540 8.540 8.304 0.236 19869 7229 1 20 . 1 1 26 26 ALA N N 26 123.321 123.321 124.191 -0.870 19869 7230 1 20 . 1 1 26 26 ALA HA H 26 4.644 4.644 4.517 0.127 19869 7231 1 20 . 1 1 26 26 ALA CA C 26 51.639 51.639 52.501 -0.862 19869 7232 1 20 . 1 1 26 26 ALA CB C 26 19.725 19.725 19.104 0.621 19869 7233 1 20 . 1 1 26 26 ALA H H 26 8.593 8.593 8.108 0.485 19869 7234 1 20 . 1 1 27 27 GLU N N 27 118.135 118.135 119.318 -1.183 19869 7235 1 20 . 1 1 27 27 GLU HA H 27 4.302 4.302 4.279 0.023 19869 7236 1 20 . 1 1 27 27 GLU CA C 27 55.670 55.670 57.492 -1.822 19869 7237 1 20 . 1 1 27 27 GLU CB C 27 30.724 30.724 30.050 0.674 19869 7238 1 20 . 1 1 27 27 GLU H H 27 8.120 8.120 8.453 -0.333 19869 7239 1 20 . 1 1 28 28 SER N N 28 115.651 115.651 110.562 5.089 19869 7240 1 20 . 1 1 28 28 SER HA H 28 4.700 4.700 4.689 0.011 19869 7241 1 20 . 1 1 28 28 SER CA C 28 56.044 56.044 56.619 -0.575 19869 7242 1 20 . 1 1 28 28 SER H H 28 8.723 8.723 7.700 1.023 19869 7243 1 20 . 1 1 29 29 PRO HA H 29 4.111 4.111 4.443 -0.332 19869 7244 1 20 . 1 1 29 29 PRO CA C 29 65.792 65.792 64.705 1.087 19869 7245 1 20 . 1 1 29 29 PRO CB C 29 31.750 31.750 32.167 -0.417 19869 7246 1 20 . 1 1 30 30 ALA N N 30 117.252 117.252 119.027 -1.775 19869 7247 1 20 . 1 1 30 30 ALA HA H 30 4.028 4.028 4.320 -0.292 19869 7248 1 20 . 1 1 30 30 ALA CA C 30 55.258 55.258 53.535 1.723 19869 7249 1 20 . 1 1 30 30 ALA CB C 30 18.240 18.240 19.016 -0.776 19869 7250 1 20 . 1 1 30 30 ALA H H 30 7.994 7.994 7.687 0.307 19869 7251 1 20 . 1 1 31 31 HIS N N 31 119.161 119.161 119.455 -0.294 19869 7252 1 20 . 1 1 31 31 HIS HA H 31 4.278 4.278 4.409 -0.131 19869 7253 1 20 . 1 1 31 31 HIS CA C 31 59.697 59.697 59.352 0.345 19869 7254 1 20 . 1 1 31 31 HIS CB C 31 30.320 30.320 30.982 -0.662 19869 7255 1 20 . 1 1 31 31 HIS H H 31 7.902 7.902 7.604 0.298 19869 7256 1 20 . 1 1 32 32 ILE N N 32 118.000 118.000 115.923 2.077 19869 7257 1 20 . 1 1 32 32 ILE HA H 32 3.478 3.478 3.784 -0.306 19869 7258 1 20 . 1 1 32 32 ILE CA C 32 63.480 63.480 64.343 -0.862 19869 7259 1 20 . 1 1 32 32 ILE CB C 32 36.290 36.290 37.572 -1.282 19869 7260 1 20 . 1 1 32 32 ILE H H 32 8.092 8.092 8.208 -0.116 19869 7261 1 20 . 1 1 33 33 ARG N N 33 118.612 118.612 119.683 -1.071 19869 7262 1 20 . 1 1 33 33 ARG HA H 33 3.911 3.911 4.126 -0.215 19869 7263 1 20 . 1 1 33 33 ARG CA C 33 60.741 60.741 59.208 1.533 19869 7264 1 20 . 1 1 33 33 ARG CB C 33 29.839 29.839 30.008 -0.169 19869 7265 1 20 . 1 1 33 33 ARG H H 33 8.436 8.436 8.200 0.236 19869 7266 1 20 . 1 1 34 34 LEU N N 34 122.935 122.935 116.836 6.099 19869 7267 1 20 . 1 1 34 34 LEU HA H 34 4.154 4.154 4.329 -0.175 19869 7268 1 20 . 1 1 34 34 LEU CA C 34 57.400 57.400 57.176 0.224 19869 7269 1 20 . 1 1 34 34 LEU CB C 34 41.998 41.998 41.004 0.994 19869 7270 1 20 . 1 1 34 34 LEU H H 34 7.565 7.565 7.427 0.138 19869 7271 1 20 . 1 1 35 35 VAL N N 35 121.579 121.579 120.949 0.630 19869 7272 1 20 . 1 1 35 35 VAL HA H 35 3.333 3.333 3.515 -0.182 19869 7273 1 20 . 1 1 35 35 VAL CA C 35 66.440 66.440 67.225 -0.785 19869 7274 1 20 . 1 1 35 35 VAL CB C 35 31.149 31.149 30.983 0.166 19869 7275 1 20 . 1 1 35 35 VAL H H 35 8.414 8.414 7.382 1.032 19869 7276 1 20 . 1 1 36 36 ALA N N 36 121.368 121.368 121.739 -0.371 19869 7277 1 20 . 1 1 36 36 ALA HA H 36 3.794 3.794 4.052 -0.258 19869 7278 1 20 . 1 1 36 36 ALA CA C 36 55.555 55.555 55.218 0.337 19869 7279 1 20 . 1 1 36 36 ALA CB C 36 18.310 18.310 17.878 0.432 19869 7280 1 20 . 1 1 36 36 ALA H H 36 8.791 8.791 7.804 0.987 19869 7281 1 20 . 1 1 37 37 ALA N N 37 119.373 119.373 120.984 -1.611 19869 7282 1 20 . 1 1 37 37 ALA HA H 37 4.305 4.305 4.037 0.268 19869 7283 1 20 . 1 1 37 37 ALA CA C 37 54.825 54.825 54.824 0.001 19869 7284 1 20 . 1 1 37 37 ALA CB C 37 18.020 18.020 18.441 -0.421 19869 7285 1 20 . 1 1 37 37 ALA H H 37 7.648 7.648 7.807 -0.159 19869 7286 1 20 . 1 1 38 38 PHE N N 38 120.906 120.906 119.949 0.957 19869 7287 1 20 . 1 1 38 38 PHE HA H 38 4.449 4.449 4.196 0.253 19869 7288 1 20 . 1 1 38 38 PHE CA C 38 61.148 61.148 61.910 -0.762 19869 7289 1 20 . 1 1 38 38 PHE CB C 38 39.350 39.350 39.409 -0.059 19869 7290 1 20 . 1 1 38 38 PHE H H 38 7.923 7.923 7.762 0.161 19869 7291 1 20 . 1 1 39 39 VAL N N 39 119.731 119.731 119.022 0.709 19869 7292 1 20 . 1 1 39 39 VAL HA H 39 3.219 3.219 3.610 -0.391 19869 7293 1 20 . 1 1 39 39 VAL CA C 39 67.520 67.520 66.859 0.661 19869 7294 1 20 . 1 1 39 39 VAL CB C 39 32.059 32.059 31.604 0.455 19869 7295 1 20 . 1 1 39 39 VAL H H 39 8.482 8.482 7.907 0.575 19869 7296 1 20 . 1 1 40 40 ASP N N 40 120.200 120.200 120.033 0.167 19869 7297 1 20 . 1 1 40 40 ASP HA H 40 4.449 4.449 4.380 0.069 19869 7298 1 20 . 1 1 40 40 ASP CA C 40 58.600 58.600 57.997 0.603 19869 7299 1 20 . 1 1 40 40 ASP CB C 40 43.300 43.300 41.024 2.276 19869 7300 1 20 . 1 1 40 40 ASP H H 40 8.851 8.851 8.529 0.322 19869 7301 1 20 . 1 1 41 41 ASP N N 41 120.967 120.967 119.252 1.715 19869 7302 1 20 . 1 1 41 41 ASP HA H 41 4.532 4.532 4.380 0.152 19869 7303 1 20 . 1 1 41 41 ASP CA C 41 57.860 57.860 56.882 0.978 19869 7304 1 20 . 1 1 41 41 ASP CB C 41 40.560 40.560 40.969 -0.409 19869 7305 1 20 . 1 1 41 41 ASP H H 41 8.743 8.743 8.077 0.666 19869 7306 1 20 . 1 1 42 42 LYS N N 42 120.600 120.600 120.181 0.419 19869 7307 1 20 . 1 1 42 42 LYS HA H 42 3.967 3.967 4.482 -0.515 19869 7308 1 20 . 1 1 42 42 LYS CA C 42 57.880 57.880 58.877 -0.996 19869 7309 1 20 . 1 1 42 42 LYS CB C 42 31.440 31.440 32.405 -0.965 19869 7310 1 20 . 1 1 42 42 LYS H H 42 7.990 7.990 7.377 0.613 19869 7311 1 20 . 1 1 43 43 MET N N 43 119.600 119.600 115.984 3.616 19869 7312 1 20 . 1 1 43 43 MET HA H 43 3.957 3.957 4.316 -0.359 19869 7313 1 20 . 1 1 43 43 MET CA C 43 55.600 55.600 59.046 -3.446 19869 7314 1 20 . 1 1 43 43 MET CB C 43 33.950 33.950 32.958 0.992 19869 7315 1 20 . 1 1 43 43 MET H H 43 8.844 8.844 8.186 0.658 19869 7316 1 20 . 1 1 44 44 HIS N N 44 115.981 115.981 117.152 -1.171 19869 7317 1 20 . 1 1 44 44 HIS HA H 44 4.408 4.408 4.545 -0.137 19869 7318 1 20 . 1 1 44 44 HIS CA C 44 61.250 61.250 59.685 1.565 19869 7319 1 20 . 1 1 44 44 HIS CB C 44 28.045 28.045 30.622 -2.577 19869 7320 1 20 . 1 1 44 44 HIS H H 44 8.296 8.296 7.564 0.732 19869 7321 1 20 . 1 1 45 45 GLU N N 45 122.501 122.501 119.739 2.762 19869 7322 1 20 . 1 1 45 45 GLU HA H 45 4.034 4.034 4.076 -0.042 19869 7323 1 20 . 1 1 45 45 GLU CA C 45 59.580 59.580 59.003 0.577 19869 7324 1 20 . 1 1 45 45 GLU CB C 45 29.533 29.533 28.911 0.622 19869 7325 1 20 . 1 1 45 45 GLU H H 45 8.399 8.399 8.081 0.318 19869 7326 1 20 . 1 1 46 46 PHE N N 46 118.451 118.451 118.934 -0.483 19869 7327 1 20 . 1 1 46 46 PHE HA H 46 4.183 4.183 4.624 -0.441 19869 7328 1 20 . 1 1 46 46 PHE CA C 46 61.689 61.689 58.280 3.409 19869 7329 1 20 . 1 1 46 46 PHE CB C 46 38.979 38.979 38.920 0.059 19869 7330 1 20 . 1 1 46 46 PHE H H 46 8.320 8.320 7.795 0.525 19869 7331 1 20 . 1 1 47 47 SER N N 47 114.878 114.878 114.881 -0.003 19869 7332 1 20 . 1 1 47 47 SER HA H 47 4.111 4.111 4.321 -0.210 19869 7333 1 20 . 1 1 47 47 SER CA C 47 60.281 60.281 60.758 -0.477 19869 7334 1 20 . 1 1 47 47 SER CB C 47 63.321 63.321 63.264 0.057 19869 7335 1 20 . 1 1 47 47 SER H H 47 8.278 8.278 7.429 0.849 19869 7336 1 20 . 1 1 48 48 GLU N N 48 118.579 118.579 119.514 -0.935 19869 7337 1 20 . 1 1 48 48 GLU HA H 48 4.059 4.059 4.350 -0.291 19869 7338 1 20 . 1 1 48 48 GLU CA C 48 58.641 58.641 57.365 1.276 19869 7339 1 20 . 1 1 48 48 GLU CB C 48 29.720 29.720 29.638 0.082 19869 7340 1 20 . 1 1 48 48 GLU H H 48 7.651 7.651 7.692 -0.041 19869 7341 1 20 . 1 1 49 49 LYS N N 49 116.048 116.048 119.114 -3.066 19869 7342 1 20 . 1 1 49 49 LYS HA H 49 4.211 4.211 4.272 -0.061 19869 7343 1 20 . 1 1 49 49 LYS CA C 49 57.580 57.580 56.379 1.201 19869 7344 1 20 . 1 1 49 49 LYS CB C 49 33.450 33.450 33.157 0.293 19869 7345 1 20 . 1 1 49 49 LYS H H 49 7.281 7.281 7.428 -0.147 19869 7346 1 20 . 1 1 50 50 GLN N N 50 117.953 117.953 116.007 1.946 19869 7347 1 20 . 1 1 50 50 GLN HA H 50 4.249 4.249 4.132 0.117 19869 7348 1 20 . 1 1 50 50 GLN CA C 50 55.610 55.610 55.899 -0.289 19869 7349 1 20 . 1 1 50 50 GLN CB C 50 30.050 30.050 26.889 3.161 19869 7350 1 20 . 1 1 50 50 GLN H H 50 7.930 7.930 8.284 -0.354 19869 7351 1 20 . 1 1 51 51 PRO HA H 51 4.597 4.597 4.292 0.305 19869 7352 1 20 . 1 1 51 51 PRO CA C 51 63.600 63.600 64.908 -1.308 19869 7353 1 20 . 1 1 51 51 PRO CB C 51 32.522 32.522 31.977 0.545 19869 7354 1 20 . 1 1 52 52 MET N N 52 115.230 115.230 115.009 0.221 19869 7355 1 20 . 1 1 52 52 MET HA H 52 4.513 4.513 4.591 -0.078 19869 7356 1 20 . 1 1 52 52 MET CA C 52 55.505 55.505 54.629 0.876 19869 7357 1 20 . 1 1 52 52 MET CB C 52 30.920 30.920 33.275 -2.355 19869 7358 1 20 . 1 1 52 52 MET H H 52 8.558 8.558 7.940 0.618 19869 7359 1 20 . 1 1 53 53 LEU N N 53 120.540 120.540 119.207 1.333 19869 7360 1 20 . 1 1 53 53 LEU HA H 53 4.252 4.252 4.010 0.242 19869 7361 1 20 . 1 1 53 53 LEU CA C 53 55.690 55.690 54.938 0.752 19869 7362 1 20 . 1 1 53 53 LEU CB C 53 42.728 42.728 41.097 1.631 19869 7363 1 20 . 1 1 53 53 LEU H H 53 7.557 7.557 7.869 -0.312 19869 7364 1 20 . 1 1 54 54 ASP N N 54 121.294 121.294 118.114 3.180 19869 7365 1 20 . 1 1 54 54 ASP HA H 54 4.640 4.640 4.862 -0.222 19869 7366 1 20 . 1 1 54 54 ASP CA C 54 52.280 52.280 52.872 -0.592 19869 7367 1 20 . 1 1 54 54 ASP CB C 54 41.330 41.330 42.950 -1.620 19869 7368 1 20 . 1 1 54 54 ASP H H 54 7.941 7.941 7.765 0.176 19869 7369 1 20 . 1 1 55 55 VAL N N 55 118.701 118.701 124.267 -5.566 19869 7370 1 20 . 1 1 55 55 VAL HA H 55 4.277 4.277 3.887 0.390 19869 7371 1 20 . 1 1 55 55 VAL CA C 55 62.510 62.510 66.352 -3.842 19869 7372 1 20 . 1 1 55 55 VAL CB C 55 29.900 29.900 29.942 -0.042 19869 7373 1 20 . 1 1 55 55 VAL H H 55 8.444 8.444 8.675 -0.231 19869 7374 1 20 . 1 1 56 56 PRO HA H 56 3.981 3.981 4.088 -0.107 19869 7375 1 20 . 1 1 56 56 PRO CA C 56 66.840 66.840 65.638 1.202 19869 7376 1 20 . 1 1 56 56 PRO CB C 56 30.875 30.875 30.960 -0.085 19869 7377 1 20 . 1 1 57 57 LYS N N 57 114.335 114.335 117.021 -2.686 19869 7378 1 20 . 1 1 57 57 LYS HA H 57 4.213 4.213 4.120 0.093 19869 7379 1 20 . 1 1 57 57 LYS CA C 57 60.027 60.027 57.703 2.324 19869 7380 1 20 . 1 1 57 57 LYS CB C 57 33.700 33.700 31.652 2.048 19869 7381 1 20 . 1 1 57 57 LYS H H 57 7.224 7.224 7.634 -0.410 19869 7382 1 20 . 1 1 58 58 LEU N N 58 119.010 119.010 119.716 -0.706 19869 7383 1 20 . 1 1 58 58 LEU HA H 58 3.714 3.714 4.136 -0.422 19869 7384 1 20 . 1 1 58 58 LEU CA C 58 57.900 57.900 57.216 0.684 19869 7385 1 20 . 1 1 58 58 LEU CB C 58 42.966 42.966 42.188 0.778 19869 7386 1 20 . 1 1 58 58 LEU H H 58 8.369 8.369 7.802 0.567 19869 7387 1 20 . 1 1 59 59 ALA N N 59 122.559 122.559 122.183 0.376 19869 7388 1 20 . 1 1 59 59 ALA HA H 59 3.720 3.720 3.962 -0.242 19869 7389 1 20 . 1 1 59 59 ALA CA C 59 55.510 55.510 54.885 0.625 19869 7390 1 20 . 1 1 59 59 ALA CB C 59 19.020 19.020 18.300 0.720 19869 7391 1 20 . 1 1 59 59 ALA H H 59 8.686 8.686 7.565 1.121 19869 7392 1 20 . 1 1 60 60 VAL N N 60 118.664 118.664 117.893 0.771 19869 7393 1 20 . 1 1 60 60 VAL HA H 60 3.251 3.251 3.810 -0.559 19869 7394 1 20 . 1 1 60 60 VAL CA C 60 67.397 67.397 65.238 2.159 19869 7395 1 20 . 1 1 60 60 VAL CB C 60 31.340 31.340 31.358 -0.018 19869 7396 1 20 . 1 1 60 60 VAL H H 60 7.777 7.777 7.829 -0.052 19869 7397 1 20 . 1 1 61 61 LEU N N 61 118.415 118.415 120.573 -2.158 19869 7398 1 20 . 1 1 61 61 LEU HA H 61 3.553 3.553 4.066 -0.513 19869 7399 1 20 . 1 1 61 61 LEU CA C 61 58.150 58.150 57.862 0.288 19869 7400 1 20 . 1 1 61 61 LEU CB C 61 40.340 40.340 41.491 -1.151 19869 7401 1 20 . 1 1 61 61 LEU H H 61 8.328 8.328 7.249 1.079 19869 7402 1 20 . 1 1 62 62 THR N N 62 117.416 117.416 113.552 3.864 19869 7403 1 20 . 1 1 62 62 THR HA H 62 4.130 4.130 3.885 0.245 19869 7404 1 20 . 1 1 62 62 THR CA C 62 67.220 67.220 65.817 1.403 19869 7405 1 20 . 1 1 62 62 THR CB C 62 68.364 68.364 68.008 0.356 19869 7406 1 20 . 1 1 62 62 THR H H 62 7.787 7.787 8.046 -0.259 19869 7407 1 20 . 1 1 63 63 ALA N N 63 124.319 124.319 124.204 0.115 19869 7408 1 20 . 1 1 63 63 ALA HA H 63 3.746 3.746 4.073 -0.327 19869 7409 1 20 . 1 1 63 63 ALA CA C 63 56.243 56.243 54.992 1.251 19869 7410 1 20 . 1 1 63 63 ALA CB C 63 17.121 17.121 18.027 -0.906 19869 7411 1 20 . 1 1 63 63 ALA H H 63 8.175 8.175 7.647 0.528 19869 7412 1 20 . 1 1 64 64 VAL N N 64 116.756 116.756 119.139 -2.383 19869 7413 1 20 . 1 1 64 64 VAL HA H 64 3.324 3.324 3.712 -0.388 19869 7414 1 20 . 1 1 64 64 VAL CA C 64 66.543 66.543 65.447 1.096 19869 7415 1 20 . 1 1 64 64 VAL CB C 64 31.340 31.340 31.686 -0.346 19869 7416 1 20 . 1 1 64 64 VAL H H 64 8.422 8.422 7.517 0.905 19869 7417 1 20 . 1 1 65 65 GLN N N 65 120.091 120.091 120.497 -0.406 19869 7418 1 20 . 1 1 65 65 GLN HA H 65 4.015 4.015 4.107 -0.092 19869 7419 1 20 . 1 1 65 65 GLN CA C 65 59.290 59.290 59.176 0.114 19869 7420 1 20 . 1 1 65 65 GLN CB C 65 28.450 28.450 28.731 -0.281 19869 7421 1 20 . 1 1 65 65 GLN H H 65 7.924 7.924 7.790 0.134 19869 7422 1 20 . 1 1 66 66 ILE N N 66 118.358 118.358 120.157 -1.799 19869 7423 1 20 . 1 1 66 66 ILE HA H 66 3.526 3.526 3.839 -0.313 19869 7424 1 20 . 1 1 66 66 ILE CA C 66 65.305 65.305 64.698 0.607 19869 7425 1 20 . 1 1 66 66 ILE H H 66 8.441 8.441 8.239 0.202 19869 7426 1 20 . 1 1 67 67 ALA N N 67 121.518 121.518 121.865 -0.347 19869 7427 1 20 . 1 1 67 67 ALA HA H 67 4.025 4.025 3.965 0.060 19869 7428 1 20 . 1 1 67 67 ALA CA C 67 55.501 55.501 55.610 -0.109 19869 7429 1 20 . 1 1 67 67 ALA CB C 67 19.668 19.668 18.255 1.413 19869 7430 1 20 . 1 1 67 67 ALA H H 67 8.947 8.947 8.223 0.724 19869 7431 1 20 . 1 1 68 68 SER N N 68 112.523 112.523 114.270 -1.747 19869 7432 1 20 . 1 1 68 68 SER HA H 68 4.174 4.174 4.154 0.020 19869 7433 1 20 . 1 1 68 68 SER CA C 68 61.429 61.429 61.962 -0.533 19869 7434 1 20 . 1 1 68 68 SER CB C 68 63.011 63.011 62.641 0.370 19869 7435 1 20 . 1 1 68 68 SER H H 68 8.492 8.492 8.121 0.371 19869 7436 1 20 . 1 1 69 69 GLU N N 69 117.397 117.397 121.929 -4.532 19869 7437 1 20 . 1 1 69 69 GLU HA H 69 3.998 3.998 4.160 -0.162 19869 7438 1 20 . 1 1 69 69 GLU CA C 69 59.181 59.181 58.921 0.260 19869 7439 1 20 . 1 1 69 69 GLU CB C 69 28.760 28.760 29.451 -0.691 19869 7440 1 20 . 1 1 69 69 GLU H H 69 7.579 7.579 7.803 -0.224 19869 7441 1 20 . 1 1 70 70 TYR N N 70 120.853 120.853 118.058 2.795 19869 7442 1 20 . 1 1 70 70 TYR HA H 70 4.352 4.352 4.477 -0.125 19869 7443 1 20 . 1 1 70 70 TYR CA C 70 60.530 60.530 60.527 0.003 19869 7444 1 20 . 1 1 70 70 TYR CB C 70 38.480 38.480 38.959 -0.479 19869 7445 1 20 . 1 1 70 70 TYR H H 70 8.635 8.635 7.888 0.747 19869 7446 1 20 . 1 1 71 71 LEU N N 71 119.400 119.400 120.291 -0.891 19869 7447 1 20 . 1 1 71 71 LEU HA H 71 3.554 3.554 3.944 -0.390 19869 7448 1 20 . 1 1 71 71 LEU CA C 71 58.368 58.368 58.019 0.349 19869 7449 1 20 . 1 1 71 71 LEU CB C 71 40.564 40.564 41.932 -1.368 19869 7450 1 20 . 1 1 71 71 LEU H H 71 8.836 8.836 8.496 0.340 19869 7451 1 20 . 1 1 72 72 LYS N N 72 119.127 119.127 118.310 0.817 19869 7452 1 20 . 1 1 72 72 LYS HA H 72 4.095 4.095 4.102 -0.007 19869 7453 1 20 . 1 1 72 72 LYS CA C 72 59.780 59.780 58.925 0.855 19869 7454 1 20 . 1 1 72 72 LYS CB C 72 32.640 32.640 32.213 0.427 19869 7455 1 20 . 1 1 72 72 LYS H H 72 7.957 7.957 7.797 0.160 19869 7456 1 20 . 1 1 73 73 LEU N N 73 122.487 122.487 121.104 1.383 19869 7457 1 20 . 1 1 73 73 LEU HA H 73 4.127 4.127 4.235 -0.108 19869 7458 1 20 . 1 1 73 73 LEU CA C 73 57.340 57.340 56.919 0.421 19869 7459 1 20 . 1 1 73 73 LEU CB C 73 41.020 41.020 42.478 -1.458 19869 7460 1 20 . 1 1 73 73 LEU H H 73 8.033 8.033 7.529 0.504 19869 7461 1 20 . 1 1 74 74 LYS N N 74 120.309 120.309 119.041 1.268 19869 7462 1 20 . 1 1 74 74 LYS HA H 74 3.759 3.759 4.027 -0.268 19869 7463 1 20 . 1 1 74 74 LYS CA C 74 60.700 60.700 59.450 1.250 19869 7464 1 20 . 1 1 74 74 LYS CB C 74 32.140 32.140 32.019 0.121 19869 7465 1 20 . 1 1 74 74 LYS H H 74 8.750 8.750 7.917 0.833 19869 7466 1 20 . 1 1 75 75 GLU N N 75 118.296 118.296 118.605 -0.309 19869 7467 1 20 . 1 1 75 75 GLU HA H 75 4.098 4.098 4.132 -0.034 19869 7468 1 20 . 1 1 75 75 GLU CA C 75 59.330 59.330 58.900 0.430 19869 7469 1 20 . 1 1 75 75 GLU CB C 75 29.500 29.500 29.169 0.331 19869 7470 1 20 . 1 1 75 75 GLU H H 75 7.274 7.274 7.867 -0.594 19869 7471 1 20 . 1 1 76 76 GLU N N 76 120.788 120.788 120.629 0.159 19869 7472 1 20 . 1 1 76 76 GLU HA H 76 4.152 4.152 4.050 0.102 19869 7473 1 20 . 1 1 76 76 GLU CA C 76 59.082 59.082 59.135 -0.053 19869 7474 1 20 . 1 1 76 76 GLU CB C 76 29.235 29.235 29.093 0.141 19869 7475 1 20 . 1 1 76 76 GLU H H 76 7.756 7.756 7.474 0.282 19869 7476 1 20 . 1 1 77 77 TYR N N 77 121.399 121.399 120.352 1.047 19869 7477 1 20 . 1 1 77 77 TYR HA H 77 4.210 4.210 4.096 0.114 19869 7478 1 20 . 1 1 77 77 TYR CA C 77 61.704 61.704 60.684 1.020 19869 7479 1 20 . 1 1 77 77 TYR CB C 77 38.889 38.889 38.306 0.583 19869 7480 1 20 . 1 1 77 77 TYR H H 77 9.401 9.401 7.687 1.714 19869 7481 1 20 . 1 1 78 78 GLN N N 78 118.068 118.068 116.947 1.121 19869 7482 1 20 . 1 1 78 78 GLN HA H 78 3.784 3.784 3.638 0.146 19869 7483 1 20 . 1 1 78 78 GLN CA C 78 58.915 58.915 58.197 0.718 19869 7484 1 20 . 1 1 78 78 GLN CB C 78 27.880 27.880 28.137 -0.257 19869 7485 1 20 . 1 1 78 78 GLN H H 78 8.169 8.169 7.846 0.323 19869 7486 1 20 . 1 1 79 79 ARG N N 79 118.446 118.446 121.836 -3.390 19869 7487 1 20 . 1 1 79 79 ARG HA H 79 4.045 4.045 4.321 -0.276 19869 7488 1 20 . 1 1 79 79 ARG CA C 79 59.310 59.310 58.304 1.006 19869 7489 1 20 . 1 1 79 79 ARG CB C 79 30.220 30.220 29.877 0.343 19869 7490 1 20 . 1 1 79 79 ARG H H 79 7.814 7.814 7.753 0.061 19869 7491 1 20 . 1 1 80 80 LEU N N 80 121.039 121.039 119.428 1.611 19869 7492 1 20 . 1 1 80 80 LEU HA H 80 4.130 4.130 4.184 -0.054 19869 7493 1 20 . 1 1 80 80 LEU CA C 80 57.689 57.689 57.508 0.181 19869 7494 1 20 . 1 1 80 80 LEU CB C 80 41.670 41.670 42.085 -0.415 19869 7495 1 20 . 1 1 80 80 LEU H H 80 7.989 7.989 8.247 -0.258 19869 7496 1 20 . 1 1 81 81 ARG N N 81 117.498 117.498 117.161 0.337 19869 7497 1 20 . 1 1 81 81 ARG HA H 81 3.717 3.717 4.152 -0.435 19869 7498 1 20 . 1 1 81 81 ARG CA C 81 59.030 59.030 58.399 0.631 19869 7499 1 20 . 1 1 81 81 ARG CB C 81 29.500 29.500 30.270 -0.770 19869 7500 1 20 . 1 1 81 81 ARG H H 81 8.241 8.241 7.739 0.502 19869 7501 1 20 . 1 1 82 82 GLU N N 82 117.300 117.300 119.621 -2.321 19869 7502 1 20 . 1 1 82 82 GLU HA H 82 4.060 4.060 4.033 0.027 19869 7503 1 20 . 1 1 82 82 GLU CA C 82 58.205 58.205 59.006 -0.801 19869 7504 1 20 . 1 1 82 82 GLU CB C 82 29.539 29.539 28.907 0.632 19869 7505 1 20 . 1 1 82 82 GLU H H 82 7.671 7.671 8.171 -0.500 19869 7506 1 20 . 1 1 83 83 GLN N N 83 117.205 117.205 116.248 0.957 19869 7507 1 20 . 1 1 83 83 GLN HA H 83 4.192 4.192 4.237 -0.045 19869 7508 1 20 . 1 1 83 83 GLN CA C 83 56.940 56.940 57.033 -0.094 19869 7509 1 20 . 1 1 83 83 GLN CB C 83 29.110 29.110 28.928 0.182 19869 7510 1 20 . 1 1 83 83 GLN H H 83 7.745 7.745 7.571 0.174 19869 7511 1 20 . 1 1 84 84 LEU N N 84 120.465 120.465 120.644 -0.179 19869 7512 1 20 . 1 1 84 84 LEU HA H 84 4.301 4.301 4.448 -0.147 19869 7513 1 20 . 1 1 84 84 LEU CA C 84 55.180 55.180 54.302 0.878 19869 7514 1 20 . 1 1 84 84 LEU CB C 84 42.190 42.190 42.407 -0.218 19869 7515 1 20 . 1 1 84 84 LEU H H 84 7.500 7.500 7.484 0.016 19869 7516 1 20 . 1 1 85 85 LYS N N 85 126.524 126.524 117.656 8.868 19869 7517 1 20 . 1 1 85 85 LYS HA H 85 4.063 4.063 4.533 -0.470 19869 7518 1 20 . 1 1 85 85 LYS CA C 85 57.499 57.499 54.835 2.664 19869 7519 1 20 . 1 1 85 85 LYS CB C 85 33.640 33.640 34.429 -0.789 19869 7520 1 20 . 1 1 85 85 LYS H H 85 7.525 7.525 7.286 0.239 19869 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 74 2.514 -0.427 2.495 19869 2 1 1 "Average Difference" HA 80 0.296 0.081 0.286 19869 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19869 4 1 1 "Average Difference" CA 78 1.248 -0.194 1.241 19869 5 1 1 "Average Difference" CB 74 1.137 -0.142 1.136 19869 6 1 1 "Average Difference" HN 74 0.553 -0.260 0.491 19869 7 1 2 "Average Difference" N 74 2.658 -0.443 2.639 19869 8 1 2 "Average Difference" HA 80 0.282 0.108 0.262 19869 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19869 10 1 2 "Average Difference" CA 78 1.201 -0.173 1.197 19869 11 1 2 "Average Difference" CB 74 1.124 -0.076 1.129 19869 12 1 2 "Average Difference" HN 74 0.533 -0.218 0.490 19869 13 1 3 "Average Difference" N 74 2.693 -0.294 2.695 19869 14 1 3 "Average Difference" HA 80 0.283 0.082 0.273 19869 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19869 16 1 3 "Average Difference" CA 78 1.199 -0.188 1.192 19869 17 1 3 "Average Difference" CB 74 1.161 -0.094 1.165 19869 18 1 3 "Average Difference" HN 74 0.488 -0.233 0.431 19869 19 1 4 "Average Difference" N 74 2.658 -0.440 2.640 19869 20 1 4 "Average Difference" HA 80 0.279 0.077 0.270 19869 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19869 22 1 4 "Average Difference" CA 78 1.168 -0.197 1.158 19869 23 1 4 "Average Difference" CB 74 1.149 -0.123 1.150 19869 24 1 4 "Average Difference" HN 74 0.519 -0.243 0.462 19869 25 1 5 "Average Difference" N 74 2.750 -0.264 2.756 19869 26 1 5 "Average Difference" HA 80 0.250 0.092 0.234 19869 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19869 28 1 5 "Average Difference" CA 78 1.210 -0.105 1.213 19869 29 1 5 "Average Difference" CB 74 1.133 -0.188 1.125 19869 30 1 5 "Average Difference" HN 74 0.519 -0.228 0.469 19869 31 1 6 "Average Difference" N 74 2.785 -0.519 2.755 19869 32 1 6 "Average Difference" HA 80 0.288 0.122 0.263 19869 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19869 34 1 6 "Average Difference" CA 78 1.310 -0.321 1.278 19869 35 1 6 "Average Difference" CB 74 1.173 -0.067 1.179 19869 36 1 6 "Average Difference" HN 74 0.550 -0.217 0.509 19869 37 1 7 "Average Difference" N 74 2.520 -0.299 2.519 19869 38 1 7 "Average Difference" HA 80 0.285 0.094 0.271 19869 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19869 40 1 7 "Average Difference" CA 78 1.339 -0.227 1.328 19869 41 1 7 "Average Difference" CB 74 1.226 -0.149 1.225 19869 42 1 7 "Average Difference" HN 74 0.579 -0.223 0.538 19869 43 1 8 "Average Difference" N 74 2.733 -0.222 2.743 19869 44 1 8 "Average Difference" HA 80 0.294 0.092 0.281 19869 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19869 46 1 8 "Average Difference" CA 78 1.338 -0.293 1.314 19869 47 1 8 "Average Difference" CB 74 1.250 -0.147 1.250 19869 48 1 8 "Average Difference" HN 74 0.537 -0.228 0.489 19869 49 1 9 "Average Difference" N 74 2.717 -0.316 2.717 19869 50 1 9 "Average Difference" HA 80 0.270 0.088 0.257 19869 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19869 52 1 9 "Average Difference" CA 78 1.295 -0.226 1.284 19869 53 1 9 "Average Difference" CB 74 1.156 -0.133 1.156 19869 54 1 9 "Average Difference" HN 74 0.545 -0.237 0.494 19869 55 1 10 "Average Difference" N 74 2.777 -0.286 2.781 19869 56 1 10 "Average Difference" HA 80 0.272 0.083 0.261 19869 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19869 58 1 10 "Average Difference" CA 78 1.213 -0.127 1.214 19869 59 1 10 "Average Difference" CB 74 1.199 -0.155 1.198 19869 60 1 10 "Average Difference" HN 74 0.519 -0.203 0.481 19869 61 1 11 "Average Difference" N 74 2.610 -0.401 2.597 19869 62 1 11 "Average Difference" HA 80 0.275 0.104 0.256 19869 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19869 64 1 11 "Average Difference" CA 78 1.141 -0.166 1.136 19869 65 1 11 "Average Difference" CB 74 1.094 -0.050 1.101 19869 66 1 11 "Average Difference" HN 74 0.527 -0.251 0.467 19869 67 1 12 "Average Difference" N 74 2.600 -0.245 2.606 19869 68 1 12 "Average Difference" HA 80 0.269 0.100 0.251 19869 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19869 70 1 12 "Average Difference" CA 78 1.203 -0.192 1.195 19869 71 1 12 "Average Difference" CB 74 1.130 -0.102 1.133 19869 72 1 12 "Average Difference" HN 74 0.523 -0.217 0.479 19869 73 1 13 "Average Difference" N 74 2.756 -0.425 2.741 19869 74 1 13 "Average Difference" HA 80 0.290 0.099 0.274 19869 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19869 76 1 13 "Average Difference" CA 78 1.204 -0.258 1.184 19869 77 1 13 "Average Difference" CB 74 1.193 -0.150 1.191 19869 78 1 13 "Average Difference" HN 74 0.555 -0.240 0.504 19869 79 1 14 "Average Difference" N 74 2.833 -0.364 2.828 19869 80 1 14 "Average Difference" HA 80 0.278 0.089 0.265 19869 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19869 82 1 14 "Average Difference" CA 78 1.276 -0.145 1.276 19869 83 1 14 "Average Difference" CB 74 1.104 -0.092 1.108 19869 84 1 14 "Average Difference" HN 74 0.518 -0.246 0.459 19869 85 1 15 "Average Difference" N 74 2.764 -0.388 2.755 19869 86 1 15 "Average Difference" HA 80 0.248 0.079 0.236 19869 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19869 88 1 15 "Average Difference" CA 78 1.134 -0.126 1.135 19869 89 1 15 "Average Difference" CB 74 1.219 -0.192 1.212 19869 90 1 15 "Average Difference" HN 74 0.522 -0.231 0.472 19869 91 1 16 "Average Difference" N 74 2.762 -0.422 2.748 19869 92 1 16 "Average Difference" HA 80 0.272 0.092 0.257 19869 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19869 94 1 16 "Average Difference" CA 78 1.265 -0.217 1.254 19869 95 1 16 "Average Difference" CB 74 1.102 -0.099 1.105 19869 96 1 16 "Average Difference" HN 74 0.547 -0.260 0.484 19869 97 1 17 "Average Difference" N 74 2.686 -0.273 2.690 19869 98 1 17 "Average Difference" HA 80 0.293 0.131 0.263 19869 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19869 100 1 17 "Average Difference" CA 78 1.330 -0.195 1.324 19869 101 1 17 "Average Difference" CB 74 1.215 -0.119 1.218 19869 102 1 17 "Average Difference" HN 74 0.522 -0.190 0.489 19869 103 1 18 "Average Difference" N 74 2.521 -0.298 2.521 19869 104 1 18 "Average Difference" HA 80 0.255 0.092 0.239 19869 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19869 106 1 18 "Average Difference" CA 78 1.153 -0.248 1.133 19869 107 1 18 "Average Difference" CB 74 1.197 -0.115 1.200 19869 108 1 18 "Average Difference" HN 74 0.539 -0.220 0.495 19869 109 1 19 "Average Difference" N 74 2.982 -0.264 2.991 19869 110 1 19 "Average Difference" HA 80 0.313 0.111 0.294 19869 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19869 112 1 19 "Average Difference" CA 78 1.201 -0.265 1.179 19869 113 1 19 "Average Difference" CB 74 1.289 -0.085 1.295 19869 114 1 19 "Average Difference" HN 74 0.554 -0.203 0.519 19869 115 1 20 "Average Difference" N 74 2.647 -0.404 2.634 19869 116 1 20 "Average Difference" HA 80 0.281 0.105 0.262 19869 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19869 118 1 20 "Average Difference" CA 78 1.280 -0.289 1.255 19869 119 1 20 "Average Difference" CB 74 1.133 -0.099 1.136 19869 120 1 20 "Average Difference" HN 74 0.520 -0.282 0.440 19869 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 19869 _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 8 8 PRO HA H 8 4.396 4.396 4.618 -0.222 19869 2 1 . 1 1 8 8 PRO CA C 8 63.046 63.046 62.190 0.856 19869 3 1 . 1 1 8 8 PRO CB C 8 32.151 32.151 32.645 -0.494 19869 4 1 . 1 1 9 9 LYS N N 9 121.282 121.282 120.118 1.164 19869 5 1 . 1 1 9 9 LYS HA H 9 4.373 4.373 4.210 0.163 19869 6 1 . 1 1 9 9 LYS CA C 9 56.140 56.140 56.623 -0.483 19869 7 1 . 1 1 9 9 LYS CB C 9 33.680 33.680 31.812 1.868 19869 8 1 . 1 1 9 9 LYS H H 9 8.363 8.363 8.302 0.061 19869 9 1 . 1 1 10 10 THR N N 10 117.787 117.787 117.476 0.311 19869 10 1 . 1 1 10 10 THR HA H 10 4.357 4.357 4.420 -0.063 19869 11 1 . 1 1 10 10 THR CA C 10 61.620 61.620 60.958 0.662 19869 12 1 . 1 1 10 10 THR CB C 10 70.393 70.393 70.371 0.022 19869 13 1 . 1 1 10 10 THR H H 10 8.675 8.675 8.283 0.392 19869 14 1 . 1 1 11 11 ARG N N 11 123.980 123.980 123.756 0.224 19869 15 1 . 1 1 11 11 ARG HA H 11 5.043 5.043 5.186 -0.143 19869 16 1 . 1 1 11 11 ARG CA C 11 55.142 55.142 54.885 0.257 19869 17 1 . 1 1 11 11 ARG CB C 11 32.130 32.130 32.423 -0.293 19869 18 1 . 1 1 11 11 ARG H H 11 8.322 8.322 8.420 -0.098 19869 19 1 . 1 1 12 12 VAL N N 12 124.311 124.311 121.981 2.330 19869 20 1 . 1 1 12 12 VAL HA H 12 4.410 4.410 4.494 -0.084 19869 21 1 . 1 1 12 12 VAL CA C 12 60.866 60.866 60.096 0.770 19869 22 1 . 1 1 12 12 VAL CB C 12 35.447 35.447 35.999 -0.553 19869 23 1 . 1 1 12 12 VAL H H 12 8.853 8.853 9.127 -0.274 19869 24 1 . 1 1 13 13 SER N N 13 122.286 122.286 123.340 -1.054 19869 25 1 . 1 1 13 13 SER HA H 13 5.435 5.435 5.340 0.095 19869 26 1 . 1 1 13 13 SER CA C 13 57.199 57.199 57.518 -0.319 19869 27 1 . 1 1 13 13 SER CB C 13 63.535 63.535 63.630 -0.095 19869 28 1 . 1 1 13 13 SER H H 13 8.581 8.581 8.553 0.028 19869 29 1 . 1 1 14 14 VAL N N 14 119.340 119.340 120.560 -1.220 19869 30 1 . 1 1 14 14 VAL HA H 14 4.491 4.491 4.594 -0.103 19869 31 1 . 1 1 14 14 VAL CA C 14 56.271 56.271 59.308 -3.037 19869 32 1 . 1 1 14 14 VAL CB C 14 35.709 35.709 35.003 0.706 19869 33 1 . 1 1 14 14 VAL H H 14 9.154 9.154 9.014 0.140 19869 34 1 . 1 1 15 15 ARG N N 15 123.689 123.689 123.819 -0.130 19869 35 1 . 1 1 15 15 ARG HA H 15 5.333 5.333 5.071 0.262 19869 36 1 . 1 1 15 15 ARG CA C 15 54.830 54.830 55.434 -0.604 19869 37 1 . 1 1 15 15 ARG CB C 15 31.780 31.780 31.386 0.394 19869 38 1 . 1 1 15 15 ARG H H 15 8.467 8.467 8.513 -0.046 19869 39 1 . 1 1 16 16 ILE N N 16 125.117 125.117 125.766 -0.649 19869 40 1 . 1 1 16 16 ILE HA H 16 4.189 4.189 4.511 -0.322 19869 41 1 . 1 1 16 16 ILE CA C 16 61.240 61.240 60.844 0.396 19869 42 1 . 1 1 16 16 ILE CB C 16 41.680 41.680 40.698 0.982 19869 43 1 . 1 1 16 16 ILE H H 16 9.174 9.174 9.157 0.017 19869 44 1 . 1 1 17 17 TYR N N 17 137.064 137.064 128.784 8.280 19869 45 1 . 1 1 17 17 TYR HA H 17 3.836 3.836 4.158 -0.322 19869 46 1 . 1 1 17 17 TYR CA C 17 59.876 59.876 59.748 0.128 19869 47 1 . 1 1 17 17 TYR CB C 17 39.379 39.379 37.115 2.264 19869 48 1 . 1 1 17 17 TYR H H 17 10.623 10.623 9.936 0.687 19869 49 1 . 1 1 18 18 GLY N N 18 102.991 102.991 104.599 -1.608 19869 50 1 . 1 1 18 18 GLY CA C 18 45.674 45.674 45.010 0.664 19869 51 1 . 1 1 18 18 GLY H H 18 8.604 8.604 8.631 -0.027 19869 52 1 . 1 1 19 19 GLN N N 19 119.104 119.104 121.156 -2.052 19869 53 1 . 1 1 19 19 GLN HA H 19 4.566 4.566 4.489 0.077 19869 54 1 . 1 1 19 19 GLN CA C 19 53.719 53.719 54.434 -0.715 19869 55 1 . 1 1 19 19 GLN CB C 19 32.230 32.230 30.619 1.611 19869 56 1 . 1 1 19 19 GLN H H 19 7.724 7.724 7.834 -0.110 19869 57 1 . 1 1 20 20 ASP N N 20 121.913 121.913 120.369 1.544 19869 58 1 . 1 1 20 20 ASP HA H 20 5.340 5.340 5.201 0.139 19869 59 1 . 1 1 20 20 ASP CA C 20 54.370 54.370 52.993 1.377 19869 60 1 . 1 1 20 20 ASP CB C 20 42.600 42.600 42.242 0.358 19869 61 1 . 1 1 20 20 ASP H H 20 8.217 8.217 8.233 -0.016 19869 62 1 . 1 1 21 21 TYR N N 21 120.801 120.801 121.256 -0.455 19869 63 1 . 1 1 21 21 TYR HA H 21 4.538 4.538 4.775 -0.237 19869 64 1 . 1 1 21 21 TYR CA C 21 57.640 57.640 56.582 1.058 19869 65 1 . 1 1 21 21 TYR CB C 21 42.201 42.201 42.593 -0.392 19869 66 1 . 1 1 21 21 TYR H H 21 9.330 9.330 9.039 0.291 19869 67 1 . 1 1 22 22 THR N N 22 118.813 118.813 119.351 -0.538 19869 68 1 . 1 1 22 22 THR HA H 22 4.390 4.390 5.159 -0.770 19869 69 1 . 1 1 22 22 THR CA C 22 63.230 63.230 61.751 1.479 19869 70 1 . 1 1 22 22 THR CB C 22 69.380 69.380 68.952 0.428 19869 71 1 . 1 1 22 22 THR H H 22 8.888 8.888 8.570 0.318 19869 72 1 . 1 1 23 23 ILE N N 23 129.291 129.291 122.188 7.103 19869 73 1 . 1 1 23 23 ILE HA H 23 4.268 4.268 4.778 -0.510 19869 74 1 . 1 1 23 23 ILE CA C 23 59.121 59.121 58.904 0.217 19869 75 1 . 1 1 23 23 ILE CB C 23 37.060 37.060 41.067 -4.007 19869 76 1 . 1 1 23 23 ILE H H 23 9.212 9.212 9.034 0.178 19869 77 1 . 1 1 24 24 VAL N N 24 127.112 127.112 120.797 6.315 19869 78 1 . 1 1 24 24 VAL HA H 24 5.073 5.073 4.391 0.682 19869 79 1 . 1 1 24 24 VAL CA C 24 60.246 60.246 62.621 -2.375 19869 80 1 . 1 1 24 24 VAL CB C 24 33.415 33.415 31.766 1.649 19869 81 1 . 1 1 24 24 VAL H H 24 8.345 8.345 8.422 -0.077 19869 82 1 . 1 1 25 25 GLY N N 25 113.745 113.745 116.207 -2.462 19869 83 1 . 1 1 25 25 GLY CA C 25 45.920 45.920 44.707 1.213 19869 84 1 . 1 1 25 25 GLY H H 25 8.540 8.540 8.627 -0.087 19869 85 1 . 1 1 26 26 ALA N N 26 123.321 123.321 124.797 -1.476 19869 86 1 . 1 1 26 26 ALA HA H 26 4.644 4.644 4.429 0.215 19869 87 1 . 1 1 26 26 ALA CA C 26 51.639 51.639 52.425 -0.786 19869 88 1 . 1 1 26 26 ALA CB C 26 19.725 19.725 18.367 1.358 19869 89 1 . 1 1 26 26 ALA H H 26 8.593 8.593 8.190 0.403 19869 90 1 . 1 1 27 27 GLU N N 27 118.135 118.135 119.593 -1.458 19869 91 1 . 1 1 27 27 GLU HA H 27 4.302 4.302 4.386 -0.084 19869 92 1 . 1 1 27 27 GLU CA C 27 55.670 55.670 56.622 -0.952 19869 93 1 . 1 1 27 27 GLU CB C 27 30.724 30.724 30.672 0.052 19869 94 1 . 1 1 27 27 GLU H H 27 8.120 8.120 8.302 -0.182 19869 95 1 . 1 1 28 28 SER N N 28 115.651 115.651 114.170 1.481 19869 96 1 . 1 1 28 28 SER HA H 28 4.700 4.700 4.766 -0.066 19869 97 1 . 1 1 28 28 SER CA C 28 56.044 56.044 56.465 -0.421 19869 98 1 . 1 1 28 28 SER H H 28 8.723 8.723 8.026 0.697 19869 99 1 . 1 1 29 29 PRO HA H 29 4.111 4.111 4.279 -0.168 19869 100 1 . 1 1 29 29 PRO CA C 29 65.792 65.792 65.301 0.491 19869 101 1 . 1 1 29 29 PRO CB C 29 31.750 31.750 31.895 -0.145 19869 102 1 . 1 1 30 30 ALA N N 30 117.252 117.252 119.140 -1.888 19869 103 1 . 1 1 30 30 ALA HA H 30 4.028 4.028 4.247 -0.219 19869 104 1 . 1 1 30 30 ALA CA C 30 55.258 55.258 54.160 1.098 19869 105 1 . 1 1 30 30 ALA CB C 30 18.240 18.240 18.354 -0.114 19869 106 1 . 1 1 30 30 ALA H H 30 7.994 7.994 8.100 -0.106 19869 107 1 . 1 1 31 31 HIS N N 31 119.161 119.161 119.267 -0.106 19869 108 1 . 1 1 31 31 HIS HA H 31 4.278 4.278 4.356 -0.078 19869 109 1 . 1 1 31 31 HIS CA C 31 59.697 59.697 59.278 0.419 19869 110 1 . 1 1 31 31 HIS CB C 31 30.320 30.320 30.371 -0.051 19869 111 1 . 1 1 31 31 HIS H H 31 7.902 7.902 7.810 0.092 19869 112 1 . 1 1 32 32 ILE N N 32 118.000 118.000 115.577 2.423 19869 113 1 . 1 1 32 32 ILE HA H 32 3.478 3.478 3.928 -0.450 19869 114 1 . 1 1 32 32 ILE CA C 32 63.480 63.480 63.791 -0.311 19869 115 1 . 1 1 32 32 ILE CB C 32 36.290 36.290 37.526 -1.236 19869 116 1 . 1 1 32 32 ILE H H 32 8.092 8.092 8.150 -0.058 19869 117 1 . 1 1 33 33 ARG N N 33 118.612 118.612 119.673 -1.061 19869 118 1 . 1 1 33 33 ARG HA H 33 3.911 3.911 4.215 -0.304 19869 119 1 . 1 1 33 33 ARG CA C 33 60.741 60.741 58.632 2.109 19869 120 1 . 1 1 33 33 ARG CB C 33 29.839 29.839 30.188 -0.349 19869 121 1 . 1 1 33 33 ARG H H 33 8.436 8.436 7.691 0.745 19869 122 1 . 1 1 34 34 LEU N N 34 122.935 122.935 118.289 4.646 19869 123 1 . 1 1 34 34 LEU HA H 34 4.154 4.154 4.379 -0.225 19869 124 1 . 1 1 34 34 LEU CA C 34 57.400 57.400 57.447 -0.047 19869 125 1 . 1 1 34 34 LEU CB C 34 41.998 41.998 41.480 0.518 19869 126 1 . 1 1 34 34 LEU H H 34 7.565 7.565 7.586 -0.021 19869 127 1 . 1 1 35 35 VAL N N 35 121.579 121.579 120.463 1.116 19869 128 1 . 1 1 35 35 VAL HA H 35 3.333 3.333 3.580 -0.247 19869 129 1 . 1 1 35 35 VAL CA C 35 66.440 66.440 66.978 -0.538 19869 130 1 . 1 1 35 35 VAL CB C 35 31.149 31.149 30.957 0.192 19869 131 1 . 1 1 35 35 VAL H H 35 8.414 8.414 7.639 0.775 19869 132 1 . 1 1 36 36 ALA N N 36 121.368 121.368 121.516 -0.148 19869 133 1 . 1 1 36 36 ALA HA H 36 3.794 3.794 4.074 -0.280 19869 134 1 . 1 1 36 36 ALA CA C 36 55.555 55.555 55.177 0.378 19869 135 1 . 1 1 36 36 ALA CB C 36 18.310 18.310 18.006 0.304 19869 136 1 . 1 1 36 36 ALA H H 36 8.791 8.791 7.850 0.941 19869 137 1 . 1 1 37 37 ALA N N 37 119.373 119.373 121.326 -1.953 19869 138 1 . 1 1 37 37 ALA HA H 37 4.305 4.305 4.059 0.246 19869 139 1 . 1 1 37 37 ALA CA C 37 54.825 54.825 54.834 -0.009 19869 140 1 . 1 1 37 37 ALA CB C 37 18.020 18.020 18.485 -0.465 19869 141 1 . 1 1 37 37 ALA H H 37 7.648 7.648 7.802 -0.154 19869 142 1 . 1 1 38 38 PHE N N 38 120.906 120.906 119.803 1.103 19869 143 1 . 1 1 38 38 PHE HA H 38 4.449 4.449 4.221 0.228 19869 144 1 . 1 1 38 38 PHE CA C 38 61.148 61.148 61.288 -0.140 19869 145 1 . 1 1 38 38 PHE CB C 38 39.350 39.350 39.434 -0.084 19869 146 1 . 1 1 38 38 PHE H H 38 7.923 7.923 8.083 -0.160 19869 147 1 . 1 1 39 39 VAL N N 39 119.731 119.731 118.867 0.864 19869 148 1 . 1 1 39 39 VAL HA H 39 3.219 3.219 3.472 -0.253 19869 149 1 . 1 1 39 39 VAL CA C 39 67.520 67.520 66.361 1.159 19869 150 1 . 1 1 39 39 VAL CB C 39 32.059 32.059 31.129 0.930 19869 151 1 . 1 1 39 39 VAL H H 39 8.482 8.482 7.843 0.639 19869 152 1 . 1 1 40 40 ASP N N 40 120.200 120.200 120.409 -0.209 19869 153 1 . 1 1 40 40 ASP HA H 40 4.449 4.449 4.407 0.042 19869 154 1 . 1 1 40 40 ASP CA C 40 58.600 58.600 58.045 0.555 19869 155 1 . 1 1 40 40 ASP CB C 40 43.300 43.300 40.967 2.333 19869 156 1 . 1 1 40 40 ASP H H 40 8.851 8.851 8.401 0.450 19869 157 1 . 1 1 41 41 ASP N N 41 120.967 120.967 119.890 1.077 19869 158 1 . 1 1 41 41 ASP HA H 41 4.532 4.532 4.439 0.093 19869 159 1 . 1 1 41 41 ASP CA C 41 57.860 57.860 56.991 0.870 19869 160 1 . 1 1 41 41 ASP CB C 41 40.560 40.560 41.019 -0.459 19869 161 1 . 1 1 41 41 ASP H H 41 8.743 8.743 7.984 0.759 19869 162 1 . 1 1 42 42 LYS N N 42 120.600 120.600 119.979 0.621 19869 163 1 . 1 1 42 42 LYS HA H 42 3.967 3.967 4.120 -0.153 19869 164 1 . 1 1 42 42 LYS CA C 42 57.880 57.880 58.938 -1.058 19869 165 1 . 1 1 42 42 LYS CB C 42 31.440 31.440 32.329 -0.889 19869 166 1 . 1 1 42 42 LYS H H 42 7.990 7.990 7.520 0.470 19869 167 1 . 1 1 43 43 MET N N 43 119.600 119.600 116.508 3.092 19869 168 1 . 1 1 43 43 MET HA H 43 3.957 3.957 4.254 -0.297 19869 169 1 . 1 1 43 43 MET CA C 43 55.600 55.600 59.100 -3.500 19869 170 1 . 1 1 43 43 MET CB C 43 33.950 33.950 32.434 1.516 19869 171 1 . 1 1 43 43 MET H H 43 8.844 8.844 8.314 0.530 19869 172 1 . 1 1 44 44 HIS N N 44 115.981 115.981 119.094 -3.113 19869 173 1 . 1 1 44 44 HIS HA H 44 4.408 4.408 4.517 -0.109 19869 174 1 . 1 1 44 44 HIS CA C 44 61.250 61.250 59.927 1.323 19869 175 1 . 1 1 44 44 HIS CB C 44 28.045 28.045 30.347 -2.302 19869 176 1 . 1 1 44 44 HIS H H 44 8.296 8.296 7.961 0.335 19869 177 1 . 1 1 45 45 GLU N N 45 122.501 122.501 118.920 3.581 19869 178 1 . 1 1 45 45 GLU HA H 45 4.034 4.034 4.103 -0.069 19869 179 1 . 1 1 45 45 GLU CA C 45 59.580 59.580 58.474 1.106 19869 180 1 . 1 1 45 45 GLU CB C 45 29.533 29.533 29.203 0.331 19869 181 1 . 1 1 45 45 GLU H H 45 8.399 8.399 7.991 0.408 19869 182 1 . 1 1 46 46 PHE N N 46 118.451 118.451 119.063 -0.612 19869 183 1 . 1 1 46 46 PHE HA H 46 4.183 4.183 4.550 -0.367 19869 184 1 . 1 1 46 46 PHE CA C 46 61.689 61.689 59.570 2.119 19869 185 1 . 1 1 46 46 PHE CB C 46 38.979 38.979 39.326 -0.347 19869 186 1 . 1 1 46 46 PHE H H 46 8.320 8.320 7.782 0.538 19869 187 1 . 1 1 47 47 SER N N 47 114.878 114.878 114.733 0.145 19869 188 1 . 1 1 47 47 SER HA H 47 4.111 4.111 4.241 -0.130 19869 189 1 . 1 1 47 47 SER CA C 47 60.281 60.281 61.363 -1.082 19869 190 1 . 1 1 47 47 SER CB C 47 63.321 63.321 62.874 0.447 19869 191 1 . 1 1 47 47 SER H H 47 8.278 8.278 8.026 0.252 19869 192 1 . 1 1 48 48 GLU N N 48 118.579 118.579 118.924 -0.345 19869 193 1 . 1 1 48 48 GLU HA H 48 4.059 4.059 4.268 -0.209 19869 194 1 . 1 1 48 48 GLU CA C 48 58.641 58.641 57.970 0.671 19869 195 1 . 1 1 48 48 GLU CB C 48 29.720 29.720 29.576 0.144 19869 196 1 . 1 1 48 48 GLU H H 48 7.651 7.651 7.835 -0.184 19869 197 1 . 1 1 49 49 LYS N N 49 116.048 116.048 117.897 -1.849 19869 198 1 . 1 1 49 49 LYS HA H 49 4.211 4.211 4.262 -0.051 19869 199 1 . 1 1 49 49 LYS CA C 49 57.580 57.580 56.264 1.316 19869 200 1 . 1 1 49 49 LYS CB C 49 33.450 33.450 32.945 0.505 19869 201 1 . 1 1 49 49 LYS H H 49 7.281 7.281 7.500 -0.219 19869 202 1 . 1 1 50 50 GLN N N 50 117.953 117.953 116.408 1.545 19869 203 1 . 1 1 50 50 GLN HA H 50 4.249 4.249 4.119 0.130 19869 204 1 . 1 1 50 50 GLN CA C 50 55.610 55.610 55.729 -0.120 19869 205 1 . 1 1 50 50 GLN CB C 50 30.050 30.050 26.998 3.052 19869 206 1 . 1 1 50 50 GLN H H 50 7.930 7.930 7.880 0.050 19869 207 1 . 1 1 51 51 PRO HA H 51 4.597 4.597 4.274 0.323 19869 208 1 . 1 1 51 51 PRO CA C 51 63.600 63.600 64.948 -1.348 19869 209 1 . 1 1 51 51 PRO CB C 51 32.522 32.522 32.017 0.505 19869 210 1 . 1 1 52 52 MET N N 52 115.230 115.230 115.564 -0.334 19869 211 1 . 1 1 52 52 MET HA H 52 4.513 4.513 4.633 -0.120 19869 212 1 . 1 1 52 52 MET CA C 52 55.505 55.505 54.566 0.939 19869 213 1 . 1 1 52 52 MET CB C 52 30.920 30.920 33.092 -2.172 19869 214 1 . 1 1 52 52 MET H H 52 8.558 8.558 7.973 0.585 19869 215 1 . 1 1 53 53 LEU N N 53 120.540 120.540 118.865 1.675 19869 216 1 . 1 1 53 53 LEU HA H 53 4.252 4.252 4.032 0.220 19869 217 1 . 1 1 53 53 LEU CA C 53 55.690 55.690 55.344 0.346 19869 218 1 . 1 1 53 53 LEU CB C 53 42.728 42.728 41.017 1.711 19869 219 1 . 1 1 53 53 LEU H H 53 7.557 7.557 7.884 -0.327 19869 220 1 . 1 1 54 54 ASP N N 54 121.294 121.294 118.705 2.590 19869 221 1 . 1 1 54 54 ASP HA H 54 4.640 4.640 4.772 -0.132 19869 222 1 . 1 1 54 54 ASP CA C 54 52.280 52.280 53.143 -0.863 19869 223 1 . 1 1 54 54 ASP CB C 54 41.330 41.330 43.003 -1.672 19869 224 1 . 1 1 54 54 ASP H H 54 7.941 7.941 7.815 0.126 19869 225 1 . 1 1 55 55 VAL N N 55 118.701 118.701 123.353 -4.652 19869 226 1 . 1 1 55 55 VAL HA H 55 4.277 4.277 3.959 0.318 19869 227 1 . 1 1 55 55 VAL CA C 55 62.510 62.510 66.249 -3.738 19869 228 1 . 1 1 55 55 VAL CB C 55 29.900 29.900 29.941 -0.041 19869 229 1 . 1 1 55 55 VAL H H 55 8.444 8.444 8.463 -0.019 19869 230 1 . 1 1 56 56 PRO HA H 56 3.981 3.981 4.210 -0.230 19869 231 1 . 1 1 56 56 PRO CA C 56 66.840 66.840 65.766 1.074 19869 232 1 . 1 1 56 56 PRO CB C 56 30.875 30.875 31.051 -0.176 19869 233 1 . 1 1 57 57 LYS N N 57 114.335 114.335 116.765 -2.430 19869 234 1 . 1 1 57 57 LYS HA H 57 4.213 4.213 4.154 0.059 19869 235 1 . 1 1 57 57 LYS CA C 57 60.027 60.027 58.194 1.833 19869 236 1 . 1 1 57 57 LYS CB C 57 33.700 33.700 31.586 2.114 19869 237 1 . 1 1 57 57 LYS H H 57 7.224 7.224 8.230 -1.006 19869 238 1 . 1 1 58 58 LEU N N 58 119.010 119.010 120.442 -1.432 19869 239 1 . 1 1 58 58 LEU HA H 58 3.714 3.714 4.140 -0.426 19869 240 1 . 1 1 58 58 LEU CA C 58 57.900 57.900 57.126 0.774 19869 241 1 . 1 1 58 58 LEU CB C 58 42.966 42.966 41.618 1.348 19869 242 1 . 1 1 58 58 LEU H H 58 8.369 8.369 7.678 0.691 19869 243 1 . 1 1 59 59 ALA N N 59 122.559 122.559 122.131 0.428 19869 244 1 . 1 1 59 59 ALA HA H 59 3.720 3.720 3.995 -0.275 19869 245 1 . 1 1 59 59 ALA CA C 59 55.510 55.510 54.913 0.597 19869 246 1 . 1 1 59 59 ALA CB C 59 19.020 19.020 18.357 0.663 19869 247 1 . 1 1 59 59 ALA H H 59 8.686 8.686 7.911 0.775 19869 248 1 . 1 1 60 60 VAL N N 60 118.664 118.664 117.361 1.303 19869 249 1 . 1 1 60 60 VAL HA H 60 3.251 3.251 3.764 -0.513 19869 250 1 . 1 1 60 60 VAL CA C 60 67.397 67.397 65.197 2.200 19869 251 1 . 1 1 60 60 VAL CB C 60 31.340 31.340 31.432 -0.092 19869 252 1 . 1 1 60 60 VAL H H 60 7.777 7.777 7.612 0.165 19869 253 1 . 1 1 61 61 LEU N N 61 118.415 118.415 120.332 -1.917 19869 254 1 . 1 1 61 61 LEU HA H 61 3.553 3.553 3.992 -0.439 19869 255 1 . 1 1 61 61 LEU CA C 61 58.150 58.150 58.022 0.128 19869 256 1 . 1 1 61 61 LEU CB C 61 40.340 40.340 41.534 -1.194 19869 257 1 . 1 1 61 61 LEU H H 61 8.328 8.328 7.507 0.821 19869 258 1 . 1 1 62 62 THR N N 62 117.416 117.416 113.213 4.203 19869 259 1 . 1 1 62 62 THR HA H 62 4.130 4.130 3.847 0.283 19869 260 1 . 1 1 62 62 THR CA C 62 67.220 67.220 65.757 1.463 19869 261 1 . 1 1 62 62 THR CB C 62 68.364 68.364 68.196 0.168 19869 262 1 . 1 1 62 62 THR H H 62 7.787 7.787 7.583 0.204 19869 263 1 . 1 1 63 63 ALA N N 63 124.319 124.319 124.625 -0.306 19869 264 1 . 1 1 63 63 ALA HA H 63 3.746 3.746 4.073 -0.327 19869 265 1 . 1 1 63 63 ALA CA C 63 56.243 56.243 55.084 1.159 19869 266 1 . 1 1 63 63 ALA CB C 63 17.121 17.121 18.009 -0.888 19869 267 1 . 1 1 63 63 ALA H H 63 8.175 8.175 7.574 0.601 19869 268 1 . 1 1 64 64 VAL N N 64 116.756 116.756 118.464 -1.708 19869 269 1 . 1 1 64 64 VAL HA H 64 3.324 3.324 3.661 -0.337 19869 270 1 . 1 1 64 64 VAL CA C 64 66.543 66.543 65.511 1.033 19869 271 1 . 1 1 64 64 VAL CB C 64 31.340 31.340 31.773 -0.433 19869 272 1 . 1 1 64 64 VAL H H 64 8.422 8.422 7.712 0.710 19869 273 1 . 1 1 65 65 GLN N N 65 120.091 120.091 120.120 -0.029 19869 274 1 . 1 1 65 65 GLN HA H 65 4.015 4.015 4.117 -0.102 19869 275 1 . 1 1 65 65 GLN CA C 65 59.290 59.290 58.920 0.370 19869 276 1 . 1 1 65 65 GLN CB C 65 28.450 28.450 28.778 -0.328 19869 277 1 . 1 1 65 65 GLN H H 65 7.924 7.924 7.493 0.431 19869 278 1 . 1 1 66 66 ILE N N 66 118.358 118.358 120.447 -2.089 19869 279 1 . 1 1 66 66 ILE HA H 66 3.526 3.526 3.827 -0.301 19869 280 1 . 1 1 66 66 ILE CA C 66 65.305 65.305 65.061 0.244 19869 281 1 . 1 1 66 66 ILE H H 66 8.441 8.441 8.444 -0.003 19869 282 1 . 1 1 67 67 ALA N N 67 121.518 121.518 121.579 -0.061 19869 283 1 . 1 1 67 67 ALA HA H 67 4.025 4.025 4.040 -0.015 19869 284 1 . 1 1 67 67 ALA CA C 67 55.501 55.501 55.567 -0.066 19869 285 1 . 1 1 67 67 ALA CB C 67 19.668 19.668 18.191 1.477 19869 286 1 . 1 1 67 67 ALA H H 67 8.947 8.947 7.973 0.974 19869 287 1 . 1 1 68 68 SER N N 68 112.523 112.523 114.239 -1.716 19869 288 1 . 1 1 68 68 SER HA H 68 4.174 4.174 4.148 0.026 19869 289 1 . 1 1 68 68 SER CA C 68 61.429 61.429 61.967 -0.538 19869 290 1 . 1 1 68 68 SER CB C 68 63.011 63.011 62.772 0.239 19869 291 1 . 1 1 68 68 SER H H 68 8.492 8.492 7.951 0.541 19869 292 1 . 1 1 69 69 GLU N N 69 117.397 117.397 121.573 -4.176 19869 293 1 . 1 1 69 69 GLU HA H 69 3.998 3.998 4.084 -0.086 19869 294 1 . 1 1 69 69 GLU CA C 69 59.181 59.181 59.042 0.139 19869 295 1 . 1 1 69 69 GLU CB C 69 28.760 28.760 29.534 -0.774 19869 296 1 . 1 1 69 69 GLU H H 69 7.579 7.579 8.089 -0.510 19869 297 1 . 1 1 70 70 TYR N N 70 120.853 120.853 118.137 2.716 19869 298 1 . 1 1 70 70 TYR HA H 70 4.352 4.352 4.482 -0.130 19869 299 1 . 1 1 70 70 TYR CA C 70 60.530 60.530 60.393 0.137 19869 300 1 . 1 1 70 70 TYR CB C 70 38.480 38.480 38.985 -0.505 19869 301 1 . 1 1 70 70 TYR H H 70 8.635 8.635 7.835 0.800 19869 302 1 . 1 1 71 71 LEU N N 71 119.400 119.400 120.903 -1.503 19869 303 1 . 1 1 71 71 LEU HA H 71 3.554 3.554 3.965 -0.411 19869 304 1 . 1 1 71 71 LEU CA C 71 58.368 58.368 58.123 0.245 19869 305 1 . 1 1 71 71 LEU CB C 71 40.564 40.564 41.892 -1.328 19869 306 1 . 1 1 71 71 LEU H H 71 8.836 8.836 8.421 0.415 19869 307 1 . 1 1 72 72 LYS N N 72 119.127 119.127 117.916 1.211 19869 308 1 . 1 1 72 72 LYS HA H 72 4.095 4.095 4.175 -0.080 19869 309 1 . 1 1 72 72 LYS CA C 72 59.780 59.780 58.803 0.977 19869 310 1 . 1 1 72 72 LYS CB C 72 32.640 32.640 32.010 0.630 19869 311 1 . 1 1 72 72 LYS H H 72 7.957 7.957 7.726 0.231 19869 312 1 . 1 1 73 73 LEU N N 73 122.487 122.487 121.349 1.138 19869 313 1 . 1 1 73 73 LEU HA H 73 4.127 4.127 4.322 -0.195 19869 314 1 . 1 1 73 73 LEU CA C 73 57.340 57.340 57.354 -0.014 19869 315 1 . 1 1 73 73 LEU CB C 73 41.020 41.020 42.225 -1.205 19869 316 1 . 1 1 73 73 LEU H H 73 8.033 8.033 7.548 0.485 19869 317 1 . 1 1 74 74 LYS N N 74 120.309 120.309 118.486 1.823 19869 318 1 . 1 1 74 74 LYS HA H 74 3.759 3.759 4.127 -0.368 19869 319 1 . 1 1 74 74 LYS CA C 74 60.700 60.700 59.254 1.446 19869 320 1 . 1 1 74 74 LYS CB C 74 32.140 32.140 31.988 0.151 19869 321 1 . 1 1 74 74 LYS H H 74 8.750 8.750 7.917 0.833 19869 322 1 . 1 1 75 75 GLU N N 75 118.296 118.296 120.108 -1.812 19869 323 1 . 1 1 75 75 GLU HA H 75 4.098 4.098 4.130 -0.032 19869 324 1 . 1 1 75 75 GLU CA C 75 59.330 59.330 59.046 0.284 19869 325 1 . 1 1 75 75 GLU CB C 75 29.500 29.500 29.348 0.151 19869 326 1 . 1 1 75 75 GLU H H 75 7.274 7.274 7.915 -0.641 19869 327 1 . 1 1 76 76 GLU N N 76 120.788 120.788 119.654 1.134 19869 328 1 . 1 1 76 76 GLU HA H 76 4.152 4.152 4.047 0.104 19869 329 1 . 1 1 76 76 GLU CA C 76 59.082 59.082 58.990 0.092 19869 330 1 . 1 1 76 76 GLU CB C 76 29.235 29.235 29.168 0.067 19869 331 1 . 1 1 76 76 GLU H H 76 7.756 7.756 7.847 -0.091 19869 332 1 . 1 1 77 77 TYR N N 77 121.399 121.399 121.219 0.180 19869 333 1 . 1 1 77 77 TYR HA H 77 4.210 4.210 4.127 0.083 19869 334 1 . 1 1 77 77 TYR CA C 77 61.704 61.704 60.763 0.941 19869 335 1 . 1 1 77 77 TYR CB C 77 38.889 38.889 38.257 0.632 19869 336 1 . 1 1 77 77 TYR H H 77 9.401 9.401 7.698 1.703 19869 337 1 . 1 1 78 78 GLN N N 78 118.068 118.068 117.118 0.950 19869 338 1 . 1 1 78 78 GLN HA H 78 3.784 3.784 3.744 0.040 19869 339 1 . 1 1 78 78 GLN CA C 78 58.915 58.915 58.490 0.425 19869 340 1 . 1 1 78 78 GLN CB C 78 27.880 27.880 28.176 -0.296 19869 341 1 . 1 1 78 78 GLN H H 78 8.169 8.169 7.805 0.364 19869 342 1 . 1 1 79 79 ARG N N 79 118.446 118.446 120.439 -1.993 19869 343 1 . 1 1 79 79 ARG HA H 79 4.045 4.045 4.254 -0.209 19869 344 1 . 1 1 79 79 ARG CA C 79 59.310 59.310 58.503 0.807 19869 345 1 . 1 1 79 79 ARG CB C 79 30.220 30.220 30.028 0.191 19869 346 1 . 1 1 79 79 ARG H H 79 7.814 7.814 7.729 0.085 19869 347 1 . 1 1 80 80 LEU N N 80 121.039 121.039 118.981 2.058 19869 348 1 . 1 1 80 80 LEU HA H 80 4.130 4.130 4.247 -0.117 19869 349 1 . 1 1 80 80 LEU CA C 80 57.689 57.689 57.673 0.016 19869 350 1 . 1 1 80 80 LEU CB C 80 41.670 41.670 41.842 -0.172 19869 351 1 . 1 1 80 80 LEU H H 80 7.989 7.989 8.195 -0.206 19869 352 1 . 1 1 81 81 ARG N N 81 117.498 117.498 118.395 -0.897 19869 353 1 . 1 1 81 81 ARG HA H 81 3.717 3.717 4.005 -0.288 19869 354 1 . 1 1 81 81 ARG CA C 81 59.030 59.030 59.161 -0.131 19869 355 1 . 1 1 81 81 ARG CB C 81 29.500 29.500 30.052 -0.552 19869 356 1 . 1 1 81 81 ARG H H 81 8.241 8.241 7.780 0.461 19869 357 1 . 1 1 82 82 GLU N N 82 117.300 117.300 118.596 -1.296 19869 358 1 . 1 1 82 82 GLU HA H 82 4.060 4.060 4.040 0.020 19869 359 1 . 1 1 82 82 GLU CA C 82 58.205 58.205 58.793 -0.588 19869 360 1 . 1 1 82 82 GLU CB C 82 29.539 29.539 28.900 0.639 19869 361 1 . 1 1 82 82 GLU H H 82 7.671 7.671 8.103 -0.432 19869 362 1 . 1 1 83 83 GLN N N 83 117.205 117.205 118.246 -1.041 19869 363 1 . 1 1 83 83 GLN HA H 83 4.192 4.192 4.172 0.020 19869 364 1 . 1 1 83 83 GLN CA C 83 56.940 56.940 57.779 -0.839 19869 365 1 . 1 1 83 83 GLN CB C 83 29.110 29.110 28.855 0.255 19869 366 1 . 1 1 83 83 GLN H H 83 7.745 7.745 7.699 0.046 19869 367 1 . 1 1 84 84 LEU N N 84 120.465 120.465 119.130 1.335 19869 368 1 . 1 1 84 84 LEU HA H 84 4.301 4.301 4.338 -0.037 19869 369 1 . 1 1 84 84 LEU CA C 84 55.180 55.180 55.751 -0.571 19869 370 1 . 1 1 84 84 LEU CB C 84 42.190 42.190 42.300 -0.110 19869 371 1 . 1 1 84 84 LEU H H 84 7.500 7.500 7.511 -0.011 19869 372 1 . 1 1 85 85 LYS N N 85 126.524 126.524 118.569 7.955 19869 373 1 . 1 1 85 85 LYS HA H 85 4.063 4.063 4.318 -0.255 19869 374 1 . 1 1 85 85 LYS CA C 85 57.499 57.499 56.472 1.027 19869 375 1 . 1 1 85 85 LYS CB C 85 33.640 33.640 33.538 0.102 19869 376 1 . 1 1 85 85 LYS H H 85 7.525 7.525 7.568 -0.043 19869 stop_ save_