data_19155 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19155 _Entry.PDB_ID 2M6U 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 19155 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 ASP N N 2 119.961 119.961 122.104 -2.143 19155 2 1 1 . 1 1 2 2 ASP HA H 2 4.440 4.440 4.270 0.170 19155 3 1 1 . 1 1 2 2 ASP C C 2 178.594 178.594 177.584 1.010 19155 4 1 1 . 1 1 2 2 ASP CA C 2 57.997 57.997 57.715 0.282 19155 5 1 1 . 1 1 2 2 ASP CB C 2 40.098 40.098 40.736 -0.638 19155 6 1 1 . 1 1 2 2 ASP H H 2 8.260 8.260 8.805 -0.545 19155 7 1 1 . 1 1 3 3 SER N N 3 115.401 115.401 112.266 3.135 19155 8 1 1 . 1 1 3 3 SER HA H 3 4.358 4.358 4.234 0.124 19155 9 1 1 . 1 1 3 3 SER C C 3 177.657 177.657 176.457 1.200 19155 10 1 1 . 1 1 3 3 SER CA C 3 60.656 60.656 60.531 0.125 19155 11 1 1 . 1 1 3 3 SER CB C 3 62.319 62.319 62.896 -0.577 19155 12 1 1 . 1 1 3 3 SER H H 3 8.112 8.112 8.289 -0.177 19155 13 1 1 . 1 1 4 4 GLU N N 4 122.287 122.287 123.450 -1.163 19155 14 1 1 . 1 1 4 4 GLU HA H 4 4.045 4.045 4.146 -0.101 19155 15 1 1 . 1 1 4 4 GLU C C 4 180.035 180.035 178.541 1.494 19155 16 1 1 . 1 1 4 4 GLU CA C 4 59.072 59.072 58.479 0.593 19155 17 1 1 . 1 1 4 4 GLU CB C 4 28.538 28.538 29.877 -1.339 19155 18 1 1 . 1 1 4 4 GLU H H 4 8.472 8.472 7.617 0.855 19155 19 1 1 . 1 1 5 5 ARG N N 5 121.026 121.026 118.742 2.284 19155 20 1 1 . 1 1 5 5 ARG HA H 5 3.894 3.894 4.060 -0.166 19155 21 1 1 . 1 1 5 5 ARG C C 5 178.298 178.298 178.472 -0.174 19155 22 1 1 . 1 1 5 5 ARG CA C 5 60.564 60.564 58.900 1.664 19155 23 1 1 . 1 1 5 5 ARG CB C 5 30.681 30.681 29.121 1.560 19155 24 1 1 . 1 1 5 5 ARG H H 5 8.771 8.771 8.612 0.159 19155 25 1 1 . 1 1 6 6 ASP N N 6 119.775 119.775 120.039 -0.264 19155 26 1 1 . 1 1 6 6 ASP HA H 6 4.455 4.455 4.480 -0.025 19155 27 1 1 . 1 1 6 6 ASP C C 6 178.676 178.676 178.326 0.350 19155 28 1 1 . 1 1 6 6 ASP CA C 6 57.956 57.956 57.222 0.734 19155 29 1 1 . 1 1 6 6 ASP CB C 6 40.774 40.774 40.640 0.134 19155 30 1 1 . 1 1 6 6 ASP H H 6 7.889 7.889 7.994 -0.105 19155 31 1 1 . 1 1 7 7 LYS N N 7 119.937 119.937 119.972 -0.035 19155 32 1 1 . 1 1 7 7 LYS HA H 7 4.014 4.014 4.040 -0.026 19155 33 1 1 . 1 1 7 7 LYS C C 7 178.977 178.977 178.703 0.274 19155 34 1 1 . 1 1 7 7 LYS CA C 7 59.793 59.793 59.245 0.548 19155 35 1 1 . 1 1 7 7 LYS CB C 7 32.850 32.850 32.307 0.543 19155 36 1 1 . 1 1 7 7 LYS H H 7 7.950 7.950 7.650 0.300 19155 37 1 1 . 1 1 8 8 ALA N N 8 122.436 122.436 121.676 0.760 19155 38 1 1 . 1 1 8 8 ALA HA H 8 4.478 4.478 4.073 0.405 19155 39 1 1 . 1 1 8 8 ALA C C 8 178.764 178.764 179.461 -0.697 19155 40 1 1 . 1 1 8 8 ALA CA C 8 55.168 55.168 55.182 -0.014 19155 41 1 1 . 1 1 8 8 ALA CB C 8 19.502 19.502 18.396 1.106 19155 42 1 1 . 1 1 8 8 ALA H H 8 7.976 7.976 8.089 -0.113 19155 43 1 1 . 1 1 9 9 ARG N N 9 118.059 118.059 116.405 1.654 19155 44 1 1 . 1 1 9 9 ARG HA H 9 3.801 3.801 4.025 -0.224 19155 45 1 1 . 1 1 9 9 ARG C C 9 177.874 177.874 178.421 -0.547 19155 46 1 1 . 1 1 9 9 ARG CA C 9 59.794 59.794 58.957 0.837 19155 47 1 1 . 1 1 9 9 ARG CB C 9 29.989 29.989 29.800 0.189 19155 48 1 1 . 1 1 9 9 ARG H H 9 8.489 8.489 8.124 0.365 19155 49 1 1 . 1 1 10 10 LYS N N 10 118.064 118.064 119.906 -1.842 19155 50 1 1 . 1 1 10 10 LYS HA H 10 4.138 4.138 4.106 0.032 19155 51 1 1 . 1 1 10 10 LYS C C 10 178.619 178.619 179.105 -0.486 19155 52 1 1 . 1 1 10 10 LYS CA C 10 59.421 59.421 58.741 0.680 19155 53 1 1 . 1 1 10 10 LYS CB C 10 32.467 32.467 31.753 0.714 19155 54 1 1 . 1 1 10 10 LYS H H 10 7.833 7.833 8.381 -0.548 19155 55 1 1 . 1 1 11 11 GLU N N 11 118.845 118.845 119.415 -0.570 19155 56 1 1 . 1 1 11 11 GLU HA H 11 4.107 4.107 4.094 0.013 19155 57 1 1 . 1 1 11 11 GLU C C 11 180.137 180.137 179.109 1.028 19155 58 1 1 . 1 1 11 11 GLU CA C 11 59.803 59.803 59.402 0.401 19155 59 1 1 . 1 1 11 11 GLU CB C 11 29.248 29.248 29.444 -0.196 19155 60 1 1 . 1 1 11 11 GLU H H 11 7.991 7.991 8.353 -0.362 19155 61 1 1 . 1 1 12 12 VAL N N 12 120.562 120.562 115.627 4.935 19155 62 1 1 . 1 1 12 12 VAL HA H 12 3.851 3.851 3.920 -0.069 19155 63 1 1 . 1 1 12 12 VAL C C 12 178.182 178.182 177.791 0.391 19155 64 1 1 . 1 1 12 12 VAL CA C 12 66.625 66.625 65.511 1.114 19155 65 1 1 . 1 1 12 12 VAL CB C 12 31.784 31.784 31.527 0.257 19155 66 1 1 . 1 1 12 12 VAL H H 12 8.173 8.173 7.353 0.820 19155 67 1 1 . 1 1 13 13 GLU N N 13 117.912 117.912 121.380 -3.468 19155 68 1 1 . 1 1 13 13 GLU HA H 13 3.841 3.841 3.953 -0.112 19155 69 1 1 . 1 1 13 13 GLU C C 13 179.959 179.959 178.810 1.149 19155 70 1 1 . 1 1 13 13 GLU CA C 13 60.498 60.498 60.321 0.177 19155 71 1 1 . 1 1 13 13 GLU CB C 13 30.014 30.014 29.428 0.586 19155 72 1 1 . 1 1 13 13 GLU H H 13 8.624 8.624 8.652 -0.028 19155 73 1 1 . 1 1 14 14 GLU N N 14 117.909 117.909 118.686 -0.777 19155 74 1 1 . 1 1 14 14 GLU HA H 14 4.025 4.025 4.067 -0.042 19155 75 1 1 . 1 1 14 14 GLU C C 14 179.020 179.020 178.853 0.167 19155 76 1 1 . 1 1 14 14 GLU CA C 14 59.442 59.442 59.061 0.381 19155 77 1 1 . 1 1 14 14 GLU CB C 14 29.257 29.257 29.152 0.105 19155 78 1 1 . 1 1 14 14 GLU H H 14 8.904 8.904 8.350 0.554 19155 79 1 1 . 1 1 15 15 TYR N N 15 122.592 122.592 121.390 1.202 19155 80 1 1 . 1 1 15 15 TYR HA H 15 4.359 4.359 4.151 0.208 19155 81 1 1 . 1 1 15 15 TYR C C 15 177.581 177.581 177.753 -0.172 19155 82 1 1 . 1 1 15 15 TYR CA C 15 62.430 62.430 61.911 0.519 19155 83 1 1 . 1 1 15 15 TYR CB C 15 38.541 38.541 38.635 -0.094 19155 84 1 1 . 1 1 15 15 TYR H H 15 8.170 8.170 7.689 0.481 19155 85 1 1 . 1 1 16 16 VAL N N 16 116.497 116.497 119.410 -2.913 19155 86 1 1 . 1 1 16 16 VAL HA H 16 3.386 3.386 3.511 -0.125 19155 87 1 1 . 1 1 16 16 VAL C C 16 177.221 177.221 177.653 -0.432 19155 88 1 1 . 1 1 16 16 VAL CA C 16 68.053 68.053 67.208 0.845 19155 89 1 1 . 1 1 16 16 VAL CB C 16 31.427 31.427 31.606 -0.179 19155 90 1 1 . 1 1 16 16 VAL H H 16 7.953 7.953 8.296 -0.343 19155 91 1 1 . 1 1 17 17 LYS N N 17 118.530 118.530 118.673 -0.143 19155 92 1 1 . 1 1 17 17 LYS HA H 17 3.922 3.922 3.991 -0.069 19155 93 1 1 . 1 1 17 17 LYS C C 17 179.742 179.742 178.855 0.887 19155 94 1 1 . 1 1 17 17 LYS CA C 17 60.145 60.145 59.559 0.586 19155 95 1 1 . 1 1 17 17 LYS CB C 17 32.827 32.827 31.843 0.984 19155 96 1 1 . 1 1 17 17 LYS H H 17 8.274 8.274 7.916 0.358 19155 97 1 1 . 1 1 18 18 LYS N N 18 121.031 121.031 120.711 0.320 19155 98 1 1 . 1 1 18 18 LYS HA H 18 4.018 4.018 4.081 -0.063 19155 99 1 1 . 1 1 18 18 LYS C C 18 178.962 178.962 178.610 0.352 19155 100 1 1 . 1 1 18 18 LYS CA C 18 59.085 59.085 59.492 -0.407 19155 101 1 1 . 1 1 18 18 LYS CB C 18 32.132 32.132 32.565 -0.433 19155 102 1 1 . 1 1 18 18 LYS H H 18 7.946 7.946 8.058 -0.112 19155 103 1 1 . 1 1 19 19 ILE N N 19 120.718 120.718 119.871 0.847 19155 104 1 1 . 1 1 19 19 ILE HA H 19 3.727 3.727 3.719 0.008 19155 105 1 1 . 1 1 19 19 ILE C C 19 172.120 172.120 178.033 -5.913 19155 106 1 1 . 1 1 19 19 ILE CA C 19 62.128 62.128 64.716 -2.588 19155 107 1 1 . 1 1 19 19 ILE CB C 19 35.988 35.988 37.964 -1.976 19155 108 1 1 . 1 1 19 19 ILE H H 19 7.796 7.796 8.074 -0.278 19155 109 1 1 . 1 1 20 20 VAL N N 20 124.792 124.792 121.536 3.256 19155 110 1 1 . 1 1 20 20 VAL HA H 20 3.312 3.312 3.497 -0.185 19155 111 1 1 . 1 1 20 20 VAL C C 20 177.873 177.873 178.024 -0.151 19155 112 1 1 . 1 1 20 20 VAL CA C 20 67.738 67.738 67.277 0.461 19155 113 1 1 . 1 1 20 20 VAL CB C 20 31.772 31.772 31.457 0.315 19155 114 1 1 . 1 1 20 20 VAL H H 20 9.190 9.190 8.734 0.456 19155 115 1 1 . 1 1 21 21 GLY N N 21 106.034 106.034 106.869 -0.835 19155 116 1 1 . 1 1 21 21 GLY C C 21 177.470 177.470 176.255 1.215 19155 117 1 1 . 1 1 21 21 GLY CA C 21 47.226 47.226 47.322 -0.096 19155 118 1 1 . 1 1 21 21 GLY H H 21 8.117 8.117 8.247 -0.130 19155 119 1 1 . 1 1 22 22 GLU N N 22 122.282 122.282 121.292 0.990 19155 120 1 1 . 1 1 22 22 GLU HA H 22 4.104 4.104 4.102 0.002 19155 121 1 1 . 1 1 22 22 GLU C C 22 178.827 178.827 178.799 0.028 19155 122 1 1 . 1 1 22 22 GLU CA C 22 59.016 59.016 59.033 -0.017 19155 123 1 1 . 1 1 22 22 GLU CB C 22 29.619 29.619 29.160 0.459 19155 124 1 1 . 1 1 22 22 GLU H H 22 8.197 8.197 8.267 -0.070 19155 125 1 1 . 1 1 23 23 SER N N 23 116.812 116.812 116.991 -0.179 19155 126 1 1 . 1 1 23 23 SER HA H 23 4.201 4.201 4.082 0.119 19155 127 1 1 . 1 1 23 23 SER C C 23 177.084 177.084 176.786 0.298 19155 128 1 1 . 1 1 23 23 SER CA C 23 61.998 61.998 61.728 0.270 19155 129 1 1 . 1 1 23 23 SER CB C 23 62.105 62.105 62.905 -0.800 19155 130 1 1 . 1 1 23 23 SER H H 23 8.285 8.285 8.393 -0.108 19155 131 1 1 . 1 1 24 24 TYR N N 24 120.879 120.879 120.422 0.457 19155 132 1 1 . 1 1 24 24 TYR HA H 24 4.396 4.396 4.259 0.137 19155 133 1 1 . 1 1 24 24 TYR C C 24 178.846 178.846 176.746 2.100 19155 134 1 1 . 1 1 24 24 TYR CA C 24 61.189 61.189 61.208 -0.019 19155 135 1 1 . 1 1 24 24 TYR CB C 24 37.866 37.866 38.331 -0.466 19155 136 1 1 . 1 1 24 24 TYR H H 24 8.254 8.254 8.179 0.075 19155 137 1 1 . 1 1 25 25 ALA N N 25 122.124 122.124 119.543 2.581 19155 138 1 1 . 1 1 25 25 ALA HA H 25 4.251 4.251 4.149 0.102 19155 139 1 1 . 1 1 25 25 ALA C C 25 178.999 178.999 178.513 0.486 19155 140 1 1 . 1 1 25 25 ALA CA C 25 54.608 54.608 53.975 0.633 19155 141 1 1 . 1 1 25 25 ALA CB C 25 18.108 18.108 19.107 -0.999 19155 142 1 1 . 1 1 25 25 ALA H H 25 8.018 8.018 8.092 -0.074 19155 143 1 1 . 1 1 26 26 LYS N N 26 115.251 115.251 116.824 -1.573 19155 144 1 1 . 1 1 26 26 LYS HA H 26 4.459 4.459 4.378 0.081 19155 145 1 1 . 1 1 26 26 LYS C C 26 176.598 176.598 177.262 -0.664 19155 146 1 1 . 1 1 26 26 LYS CA C 26 56.209 56.209 56.382 -0.173 19155 147 1 1 . 1 1 26 26 LYS CB C 26 33.191 33.191 33.210 -0.019 19155 148 1 1 . 1 1 26 26 LYS H H 26 7.533 7.533 8.086 -0.553 19155 149 1 1 . 1 1 27 27 SER N N 27 115.400 115.400 117.378 -1.978 19155 150 1 1 . 1 1 27 27 SER HA H 27 4.332 4.332 4.451 -0.119 19155 151 1 1 . 1 1 27 27 SER C C 27 174.768 174.768 173.509 1.259 19155 152 1 1 . 1 1 27 27 SER CA C 27 58.808 58.808 59.957 -1.149 19155 153 1 1 . 1 1 27 27 SER CB C 27 63.397 63.397 64.010 -0.613 19155 154 1 1 . 1 1 27 27 SER H H 27 7.570 7.570 7.861 -0.291 19155 155 1 1 . 1 1 28 28 THR N N 28 114.468 114.468 112.693 1.775 19155 156 1 1 . 1 1 28 28 THR HA H 28 4.649 4.649 4.646 0.003 19155 157 1 1 . 1 1 28 28 THR CA C 28 60.242 60.242 60.080 0.162 19155 158 1 1 . 1 1 28 28 THR CB C 28 71.544 71.544 71.188 0.356 19155 159 1 1 . 1 1 28 28 THR H H 28 7.725 7.725 8.203 -0.478 19155 160 1 1 . 1 1 29 29 LYS HA H 29 4.300 4.300 3.992 0.308 19155 161 1 1 . 1 1 29 29 LYS CA C 29 57.974 57.974 59.400 -1.425 19155 162 1 1 . 1 1 29 29 LYS CB C 29 32.820 32.820 31.779 1.041 19155 163 1 1 . 1 1 30 30 LYS HA H 30 4.154 4.154 4.093 0.061 19155 164 1 1 . 1 1 30 30 LYS CA C 30 58.725 58.725 58.375 0.350 19155 165 1 1 . 1 1 31 31 ARG HA H 31 4.533 4.533 4.422 0.111 19155 166 1 1 . 1 1 31 31 ARG CA C 31 56.137 56.137 54.849 1.288 19155 167 1 1 . 1 1 31 31 ARG CB C 31 31.003 31.003 29.352 1.651 19155 168 1 1 . 1 1 32 32 HIS HA H 32 4.570 4.570 4.373 0.197 19155 169 1 1 . 1 1 32 32 HIS C C 32 176.136 176.136 176.485 -0.349 19155 170 1 1 . 1 1 32 32 HIS CA C 32 58.689 58.689 59.179 -0.490 19155 171 1 1 . 1 1 32 32 HIS CB C 32 30.731 30.731 29.472 1.259 19155 172 1 1 . 1 1 33 33 THR N N 33 111.162 111.162 116.176 -5.014 19155 173 1 1 . 1 1 33 33 THR HA H 33 3.976 3.976 3.800 0.176 19155 174 1 1 . 1 1 33 33 THR C C 33 176.807 176.807 176.572 0.235 19155 175 1 1 . 1 1 33 33 THR CA C 33 65.194 65.194 66.403 -1.209 19155 176 1 1 . 1 1 33 33 THR CB C 33 68.428 68.428 68.534 -0.105 19155 177 1 1 . 1 1 33 33 THR H H 33 8.355 8.355 8.181 0.174 19155 178 1 1 . 1 1 34 34 ILE N N 34 123.220 123.220 120.924 2.296 19155 179 1 1 . 1 1 34 34 ILE HA H 34 4.047 4.047 3.837 0.210 19155 180 1 1 . 1 1 34 34 ILE C C 34 176.944 176.944 177.595 -0.651 19155 181 1 1 . 1 1 34 34 ILE CA C 34 63.746 63.746 62.859 0.887 19155 182 1 1 . 1 1 34 34 ILE CB C 34 37.905 37.905 36.562 1.343 19155 183 1 1 . 1 1 34 34 ILE H H 34 7.824 7.824 7.880 -0.056 19155 184 1 1 . 1 1 35 35 THR N N 35 118.694 118.694 118.439 0.255 19155 185 1 1 . 1 1 35 35 THR HA H 35 4.103 4.103 3.800 0.303 19155 186 1 1 . 1 1 35 35 THR C C 35 175.385 175.385 176.780 -1.395 19155 187 1 1 . 1 1 35 35 THR CA C 35 63.339 63.339 67.013 -3.674 19155 188 1 1 . 1 1 35 35 THR CB C 35 68.428 68.428 68.169 0.259 19155 189 1 1 . 1 1 35 35 THR H H 35 8.053 8.053 7.465 0.588 19155 190 1 1 . 1 1 36 36 VAL N N 36 120.252 120.252 120.729 -0.477 19155 191 1 1 . 1 1 36 36 VAL HA H 36 3.494 3.494 3.432 0.062 19155 192 1 1 . 1 1 36 36 VAL C C 36 177.667 177.667 177.162 0.505 19155 193 1 1 . 1 1 36 36 VAL CA C 36 66.312 66.312 66.374 -0.062 19155 194 1 1 . 1 1 36 36 VAL CB C 36 31.787 31.787 31.035 0.752 19155 195 1 1 . 1 1 36 36 VAL H H 36 8.148 8.148 8.003 0.145 19155 196 1 1 . 1 1 37 37 ALA N N 37 121.815 121.815 122.995 -1.180 19155 197 1 1 . 1 1 37 37 ALA HA H 37 4.168 4.168 3.905 0.263 19155 198 1 1 . 1 1 37 37 ALA C C 37 180.404 180.404 179.227 1.177 19155 199 1 1 . 1 1 37 37 ALA CA C 37 55.062 55.062 55.098 -0.036 19155 200 1 1 . 1 1 37 37 ALA CB C 37 18.114 18.114 18.062 0.052 19155 201 1 1 . 1 1 37 37 ALA H H 37 7.526 7.526 7.708 -0.182 19155 202 1 1 . 1 1 38 38 LEU N N 38 122.124 122.124 119.089 3.035 19155 203 1 1 . 1 1 38 38 LEU HA H 38 3.574 3.574 3.597 -0.023 19155 204 1 1 . 1 1 38 38 LEU C C 38 177.815 177.815 178.486 -0.671 19155 205 1 1 . 1 1 38 38 LEU CA C 38 57.671 57.671 57.232 0.439 19155 206 1 1 . 1 1 38 38 LEU CB C 38 40.383 40.383 41.559 -1.176 19155 207 1 1 . 1 1 38 38 LEU H H 38 7.987 7.987 7.727 0.260 19155 208 1 1 . 1 1 39 39 VAL N N 39 119.627 119.627 119.860 -0.233 19155 209 1 1 . 1 1 39 39 VAL HA H 39 3.295 3.295 3.470 -0.175 19155 210 1 1 . 1 1 39 39 VAL C C 39 178.084 178.084 177.880 0.204 19155 211 1 1 . 1 1 39 39 VAL CA C 39 67.710 67.710 66.845 0.865 19155 212 1 1 . 1 1 39 39 VAL CB C 39 31.393 31.393 30.733 0.660 19155 213 1 1 . 1 1 39 39 VAL H H 39 8.410 8.410 8.261 0.149 19155 214 1 1 . 1 1 40 40 ASN N N 40 117.904 117.904 117.867 0.037 19155 215 1 1 . 1 1 40 40 ASN HA H 40 4.528 4.528 4.401 0.127 19155 216 1 1 . 1 1 40 40 ASN C C 40 177.814 177.814 178.271 -0.457 19155 217 1 1 . 1 1 40 40 ASN CA C 40 56.214 56.214 56.041 0.173 19155 218 1 1 . 1 1 40 40 ASN CB C 40 37.990 37.990 37.895 0.095 19155 219 1 1 . 1 1 40 40 ASN H H 40 8.211 8.211 8.460 -0.249 19155 220 1 1 . 1 1 41 41 GLU N N 41 122.117 122.117 121.322 0.795 19155 221 1 1 . 1 1 41 41 GLU HA H 41 4.330 4.330 4.228 0.102 19155 222 1 1 . 1 1 41 41 GLU C C 41 179.186 179.186 178.792 0.394 19155 223 1 1 . 1 1 41 41 GLU CA C 41 59.444 59.444 58.786 0.658 19155 224 1 1 . 1 1 41 41 GLU CB C 41 28.935 28.935 29.655 -0.720 19155 225 1 1 . 1 1 41 41 GLU H H 41 7.895 7.895 7.748 0.147 19155 226 1 1 . 1 1 42 42 LEU N N 42 118.997 118.997 119.883 -0.886 19155 227 1 1 . 1 1 42 42 LEU HA H 42 4.036 4.036 3.860 0.176 19155 228 1 1 . 1 1 42 42 LEU C C 42 179.072 179.072 178.915 0.157 19155 229 1 1 . 1 1 42 42 LEU CA C 42 58.028 58.028 58.424 -0.396 19155 230 1 1 . 1 1 42 42 LEU CB C 42 41.053 41.053 41.563 -0.510 19155 231 1 1 . 1 1 42 42 LEU H H 42 8.915 8.915 8.699 0.216 19155 232 1 1 . 1 1 43 43 ASN N N 43 117.439 117.439 116.922 0.517 19155 233 1 1 . 1 1 43 43 ASN HA H 43 4.560 4.560 4.465 0.095 19155 234 1 1 . 1 1 43 43 ASN C C 43 177.692 177.692 177.509 0.183 19155 235 1 1 . 1 1 43 43 ASN CA C 43 56.224 56.224 56.136 0.088 19155 236 1 1 . 1 1 43 43 ASN CB C 43 38.241 38.241 37.765 0.476 19155 237 1 1 . 1 1 43 43 ASN H H 43 8.436 8.436 8.612 -0.176 19155 238 1 1 . 1 1 44 44 ASN N N 44 121.188 121.188 120.185 1.003 19155 239 1 1 . 1 1 44 44 ASN HA H 44 4.647 4.647 4.582 0.065 19155 240 1 1 . 1 1 44 44 ASN C C 44 178.704 178.704 177.517 1.187 19155 241 1 1 . 1 1 44 44 ASN CA C 44 56.233 56.233 56.087 0.145 19155 242 1 1 . 1 1 44 44 ASN CB C 44 37.466 37.466 38.541 -1.075 19155 243 1 1 . 1 1 44 44 ASN H H 44 8.079 8.079 7.779 0.300 19155 244 1 1 . 1 1 45 45 ILE N N 45 124.315 124.315 120.953 3.362 19155 245 1 1 . 1 1 45 45 ILE HA H 45 3.985 3.985 3.767 0.218 19155 246 1 1 . 1 1 45 45 ILE C C 45 177.925 177.925 177.659 0.266 19155 247 1 1 . 1 1 45 45 ILE CA C 45 65.578 65.578 65.579 -0.001 19155 248 1 1 . 1 1 45 45 ILE CB C 45 38.903 38.903 37.680 1.223 19155 249 1 1 . 1 1 45 45 ILE H H 45 8.533 8.533 8.091 0.442 19155 250 1 1 . 1 1 46 46 LYS N N 46 119.624 119.624 120.087 -0.463 19155 251 1 1 . 1 1 46 46 LYS HA H 46 3.743 3.743 3.904 -0.161 19155 252 1 1 . 1 1 46 46 LYS C C 46 177.699 177.699 178.985 -1.286 19155 253 1 1 . 1 1 46 46 LYS CA C 46 60.161 60.161 60.386 -0.225 19155 254 1 1 . 1 1 46 46 LYS CB C 46 31.420 31.420 32.310 -0.890 19155 255 1 1 . 1 1 46 46 LYS H H 46 8.660 8.660 8.308 0.352 19155 256 1 1 . 1 1 47 47 ASN N N 47 116.034 116.034 118.198 -2.164 19155 257 1 1 . 1 1 47 47 ASN HA H 47 4.468 4.468 4.447 0.021 19155 258 1 1 . 1 1 47 47 ASN C C 47 177.768 177.768 177.177 0.591 19155 259 1 1 . 1 1 47 47 ASN CA C 47 56.538 56.538 56.326 0.212 19155 260 1 1 . 1 1 47 47 ASN CB C 47 37.882 37.882 38.282 -0.400 19155 261 1 1 . 1 1 47 47 ASN H H 47 8.344 8.344 8.314 0.030 19155 262 1 1 . 1 1 48 48 GLU N N 48 121.665 121.665 120.770 0.895 19155 263 1 1 . 1 1 48 48 GLU HA H 48 4.044 4.044 3.931 0.113 19155 264 1 1 . 1 1 48 48 GLU C C 48 179.915 179.915 179.020 0.895 19155 265 1 1 . 1 1 48 48 GLU CA C 48 59.444 59.444 59.690 -0.246 19155 266 1 1 . 1 1 48 48 GLU CB C 48 29.230 29.230 29.725 -0.495 19155 267 1 1 . 1 1 48 48 GLU H H 48 8.301 8.301 8.307 -0.006 19155 268 1 1 . 1 1 49 49 TYR N N 49 117.600 117.600 118.634 -1.034 19155 269 1 1 . 1 1 49 49 TYR HA H 49 3.992 3.992 4.330 -0.338 19155 270 1 1 . 1 1 49 49 TYR C C 49 178.275 178.275 178.282 -0.007 19155 271 1 1 . 1 1 49 49 TYR CA C 49 64.508 64.508 61.518 2.990 19155 272 1 1 . 1 1 49 49 TYR CB C 49 37.881 37.881 38.467 -0.586 19155 273 1 1 . 1 1 49 49 TYR H H 49 8.581 8.581 8.462 0.119 19155 274 1 1 . 1 1 50 50 LEU N N 50 122.126 122.126 120.983 1.143 19155 275 1 1 . 1 1 50 50 LEU HA H 50 4.181 4.181 3.798 0.383 19155 276 1 1 . 1 1 50 50 LEU C C 50 180.089 180.089 178.776 1.313 19155 277 1 1 . 1 1 50 50 LEU CA C 50 59.061 59.061 58.723 0.338 19155 278 1 1 . 1 1 50 50 LEU CB C 50 40.096 40.096 41.585 -1.489 19155 279 1 1 . 1 1 50 50 LEU H H 50 9.207 9.207 8.699 0.508 19155 280 1 1 . 1 1 51 51 ASN N N 51 117.124 117.124 116.645 0.479 19155 281 1 1 . 1 1 51 51 ASN HA H 51 4.535 4.535 4.386 0.149 19155 282 1 1 . 1 1 51 51 ASN C C 51 177.522 177.522 177.517 0.005 19155 283 1 1 . 1 1 51 51 ASN CA C 51 56.240 56.240 56.405 -0.165 19155 284 1 1 . 1 1 51 51 ASN CB C 51 37.898 37.898 38.640 -0.742 19155 285 1 1 . 1 1 51 51 ASN H H 51 7.634 7.634 8.075 -0.441 19155 286 1 1 . 1 1 52 52 LYS N N 52 119.154 119.154 119.202 -0.048 19155 287 1 1 . 1 1 52 52 LYS HA H 52 4.037 4.037 3.951 0.086 19155 288 1 1 . 1 1 52 52 LYS C C 52 179.905 179.905 178.248 1.657 19155 289 1 1 . 1 1 52 52 LYS CA C 52 59.803 59.803 59.217 0.586 19155 290 1 1 . 1 1 52 52 LYS CB C 52 33.215 33.215 32.281 0.934 19155 291 1 1 . 1 1 52 52 LYS H H 52 7.663 7.663 7.859 -0.196 19155 292 1 1 . 1 1 53 53 ILE N N 53 121.662 121.662 118.237 3.425 19155 293 1 1 . 1 1 53 53 ILE HA H 53 3.532 3.532 3.813 -0.281 19155 294 1 1 . 1 1 53 53 ILE C C 53 178.489 178.489 177.926 0.563 19155 295 1 1 . 1 1 53 53 ILE CA C 53 65.906 65.906 64.575 1.331 19155 296 1 1 . 1 1 53 53 ILE CB C 53 38.249 38.249 38.619 -0.370 19155 297 1 1 . 1 1 53 53 ILE H H 53 8.493 8.493 7.983 0.510 19155 298 1 1 . 1 1 54 54 VAL N N 54 119.477 119.477 119.322 0.155 19155 299 1 1 . 1 1 54 54 VAL HA H 54 3.647 3.647 3.855 -0.208 19155 300 1 1 . 1 1 54 54 VAL C C 54 176.683 176.683 176.225 0.458 19155 301 1 1 . 1 1 54 54 VAL CA C 54 66.643 66.643 64.513 2.130 19155 302 1 1 . 1 1 54 54 VAL CB C 54 31.448 31.448 32.175 -0.727 19155 303 1 1 . 1 1 54 54 VAL H H 54 7.598 7.598 8.318 -0.720 19155 304 1 1 . 1 1 55 55 GLU N N 55 114.467 114.467 118.578 -4.111 19155 305 1 1 . 1 1 55 55 GLU HA H 55 4.281 4.281 4.440 -0.159 19155 306 1 1 . 1 1 55 55 GLU C C 55 176.914 176.914 175.763 1.151 19155 307 1 1 . 1 1 55 55 GLU CA C 55 56.195 56.195 55.397 0.798 19155 308 1 1 . 1 1 55 55 GLU CB C 55 30.354 30.354 30.366 -0.012 19155 309 1 1 . 1 1 55 55 GLU H H 55 7.064 7.064 7.736 -0.671 19155 310 1 1 . 1 1 56 56 SER N N 56 116.806 116.806 115.570 1.236 19155 311 1 1 . 1 1 56 56 SER HA H 56 4.435 4.435 4.386 0.049 19155 312 1 1 . 1 1 56 56 SER C C 56 175.566 175.566 175.411 0.155 19155 313 1 1 . 1 1 56 56 SER CA C 56 60.163 60.163 58.913 1.250 19155 314 1 1 . 1 1 56 56 SER CB C 56 64.439 64.439 63.656 0.783 19155 315 1 1 . 1 1 56 56 SER H H 56 7.504 7.504 7.638 -0.134 19155 316 1 1 . 1 1 57 57 THR N N 57 111.347 111.347 119.652 -8.305 19155 317 1 1 . 1 1 57 57 THR HA H 57 4.539 4.539 4.284 0.255 19155 318 1 1 . 1 1 57 57 THR C C 57 174.424 174.424 175.244 -0.820 19155 319 1 1 . 1 1 57 57 THR CA C 57 61.518 61.518 63.596 -2.078 19155 320 1 1 . 1 1 57 57 THR CB C 57 70.377 70.377 69.551 0.826 19155 321 1 1 . 1 1 57 57 THR H H 57 9.083 9.083 8.347 0.736 19155 322 1 1 . 1 1 58 58 SER N N 58 115.415 115.415 118.119 -2.704 19155 323 1 1 . 1 1 58 58 SER HA H 58 5.059 5.059 4.617 0.442 19155 324 1 1 . 1 1 58 58 SER C C 58 174.278 174.278 174.712 -0.434 19155 325 1 1 . 1 1 58 58 SER CA C 58 56.928 56.928 57.910 -0.982 19155 326 1 1 . 1 1 58 58 SER CB C 58 66.570 66.570 64.298 2.272 19155 327 1 1 . 1 1 58 58 SER H H 58 7.689 7.689 7.805 -0.116 19155 328 1 1 . 1 1 59 59 GLU N N 59 124.305 124.305 127.474 -3.169 19155 329 1 1 . 1 1 59 59 GLU HA H 59 3.990 3.990 4.042 -0.052 19155 330 1 1 . 1 1 59 59 GLU C C 59 179.113 179.113 178.245 0.868 19155 331 1 1 . 1 1 59 59 GLU CA C 59 60.159 60.159 59.283 0.876 19155 332 1 1 . 1 1 59 59 GLU CB C 59 29.616 29.616 29.590 0.026 19155 333 1 1 . 1 1 59 59 GLU H H 59 9.719 9.719 9.149 0.570 19155 334 1 1 . 1 1 60 60 SER N N 60 115.406 115.406 112.057 3.349 19155 335 1 1 . 1 1 60 60 SER HA H 60 4.249 4.249 4.469 -0.220 19155 336 1 1 . 1 1 60 60 SER C C 60 177.307 177.307 175.305 2.002 19155 337 1 1 . 1 1 60 60 SER CA C 60 61.259 61.259 59.760 1.499 19155 338 1 1 . 1 1 60 60 SER CB C 60 61.960 61.960 62.737 -0.777 19155 339 1 1 . 1 1 60 60 SER H H 60 8.614 8.614 8.354 0.260 19155 340 1 1 . 1 1 61 61 GLN N N 61 121.656 121.656 120.149 1.507 19155 341 1 1 . 1 1 61 61 GLN HA H 61 4.107 4.107 4.369 -0.262 19155 342 1 1 . 1 1 61 61 GLN C C 61 178.777 178.777 177.174 1.603 19155 343 1 1 . 1 1 61 61 GLN CA C 61 58.743 58.743 56.982 1.761 19155 344 1 1 . 1 1 61 61 GLN CB C 61 28.900 28.900 29.610 -0.710 19155 345 1 1 . 1 1 61 61 GLN H H 61 7.669 7.669 7.397 0.272 19155 346 1 1 . 1 1 62 62 LEU N N 62 118.689 118.689 121.013 -2.324 19155 347 1 1 . 1 1 62 62 LEU HA H 62 4.035 4.035 3.845 0.190 19155 348 1 1 . 1 1 62 62 LEU C C 62 178.363 178.363 178.578 -0.215 19155 349 1 1 . 1 1 62 62 LEU CA C 62 58.725 58.725 58.213 0.512 19155 350 1 1 . 1 1 62 62 LEU CB C 62 41.836 41.836 41.732 0.104 19155 351 1 1 . 1 1 62 62 LEU H H 62 7.736 7.736 7.856 -0.120 19155 352 1 1 . 1 1 63 63 GLN N N 63 117.441 117.441 116.515 0.926 19155 353 1 1 . 1 1 63 63 GLN HA H 63 4.078 4.078 4.082 -0.004 19155 354 1 1 . 1 1 63 63 GLN C C 63 179.312 179.312 177.396 1.916 19155 355 1 1 . 1 1 63 63 GLN CA C 63 59.062 59.062 58.472 0.590 19155 356 1 1 . 1 1 63 63 GLN CB C 63 27.819 27.819 28.451 -0.632 19155 357 1 1 . 1 1 63 63 GLN H H 63 7.943 7.943 7.704 0.239 19155 358 1 1 . 1 1 64 64 ILE N N 64 120.406 120.406 118.485 1.921 19155 359 1 1 . 1 1 64 64 ILE HA H 64 3.809 3.809 4.093 -0.284 19155 360 1 1 . 1 1 64 64 ILE C C 64 178.734 178.734 177.574 1.160 19155 361 1 1 . 1 1 64 64 ILE CA C 64 64.722 64.722 60.642 4.080 19155 362 1 1 . 1 1 64 64 ILE CB C 64 37.971 37.971 37.705 0.266 19155 363 1 1 . 1 1 64 64 ILE H H 64 7.544 7.544 7.168 0.376 19155 364 1 1 . 1 1 65 65 LEU N N 65 120.247 120.247 121.676 -1.429 19155 365 1 1 . 1 1 65 65 LEU HA H 65 4.212 4.212 4.083 0.129 19155 366 1 1 . 1 1 65 65 LEU C C 65 179.685 179.685 179.518 0.167 19155 367 1 1 . 1 1 65 65 LEU CA C 65 58.004 58.004 58.227 -0.223 19155 368 1 1 . 1 1 65 65 LEU CB C 65 42.553 42.553 41.358 1.195 19155 369 1 1 . 1 1 65 65 LEU H H 65 8.361 8.361 8.411 -0.050 19155 370 1 1 . 1 1 66 66 MET N N 66 118.685 118.685 117.660 1.025 19155 371 1 1 . 1 1 66 66 MET HA H 66 3.918 3.918 3.992 -0.074 19155 372 1 1 . 1 1 66 66 MET C C 66 178.906 178.906 178.639 0.267 19155 373 1 1 . 1 1 66 66 MET CA C 66 59.467 59.467 59.361 0.106 19155 374 1 1 . 1 1 66 66 MET CB C 66 33.519 33.519 32.461 1.058 19155 375 1 1 . 1 1 66 66 MET H H 66 8.458 8.458 7.570 0.888 19155 376 1 1 . 1 1 67 67 MET N N 67 118.685 118.685 118.262 0.423 19155 377 1 1 . 1 1 67 67 MET HA H 67 4.098 4.098 4.022 0.076 19155 378 1 1 . 1 1 67 67 MET C C 67 178.781 178.781 178.223 0.558 19155 379 1 1 . 1 1 67 67 MET CA C 67 58.379 58.379 59.081 -0.702 19155 380 1 1 . 1 1 67 67 MET CB C 67 32.031 32.031 32.468 -0.437 19155 381 1 1 . 1 1 67 67 MET H H 67 7.559 7.559 7.880 -0.321 19155 382 1 1 . 1 1 68 68 GLU N N 68 122.128 122.128 120.347 1.781 19155 383 1 1 . 1 1 68 68 GLU HA H 68 3.990 3.990 3.901 0.089 19155 384 1 1 . 1 1 68 68 GLU C C 68 178.803 178.803 178.937 -0.134 19155 385 1 1 . 1 1 68 68 GLU CA C 68 59.459 59.459 59.743 -0.284 19155 386 1 1 . 1 1 68 68 GLU CB C 68 30.706 30.706 29.467 1.239 19155 387 1 1 . 1 1 68 68 GLU H H 68 8.895 8.895 8.470 0.425 19155 388 1 1 . 1 1 69 69 SER N N 69 114.769 114.769 114.052 0.717 19155 389 1 1 . 1 1 69 69 SER HA H 69 2.872 2.872 3.473 -0.601 19155 390 1 1 . 1 1 69 69 SER C C 69 175.801 175.801 176.522 -0.721 19155 391 1 1 . 1 1 69 69 SER CA C 69 62.000 62.000 60.551 1.449 19155 392 1 1 . 1 1 69 69 SER CB C 69 62.282 62.282 62.497 -0.215 19155 393 1 1 . 1 1 69 69 SER H H 69 8.161 8.161 8.065 0.096 19155 394 1 1 . 1 1 70 70 ARG N N 70 120.552 120.552 121.572 -1.020 19155 395 1 1 . 1 1 70 70 ARG HA H 70 3.744 3.744 3.810 -0.066 19155 396 1 1 . 1 1 70 70 ARG C C 70 177.654 177.654 178.388 -0.734 19155 397 1 1 . 1 1 70 70 ARG CA C 70 59.793 59.793 59.723 0.070 19155 398 1 1 . 1 1 70 70 ARG CB C 70 29.974 29.974 29.818 0.156 19155 399 1 1 . 1 1 70 70 ARG H H 70 6.945 6.945 7.500 -0.555 19155 400 1 1 . 1 1 71 71 SER N N 71 113.064 113.064 115.058 -1.994 19155 401 1 1 . 1 1 71 71 SER HA H 71 4.275 4.275 4.207 0.068 19155 402 1 1 . 1 1 71 71 SER C C 71 177.491 177.491 176.596 0.895 19155 403 1 1 . 1 1 71 71 SER CA C 71 61.571 61.571 61.854 -0.283 19155 404 1 1 . 1 1 71 71 SER CB C 71 62.710 62.710 62.513 0.197 19155 405 1 1 . 1 1 71 71 SER H H 71 7.721 7.721 8.572 -0.851 19155 406 1 1 . 1 1 72 72 LYS N N 72 121.657 121.657 121.849 -0.192 19155 407 1 1 . 1 1 72 72 LYS HA H 72 4.170 4.170 4.100 0.070 19155 408 1 1 . 1 1 72 72 LYS C C 72 180.429 180.429 178.991 1.438 19155 409 1 1 . 1 1 72 72 LYS CA C 72 58.725 58.725 58.951 -0.226 19155 410 1 1 . 1 1 72 72 LYS CB C 72 32.131 32.131 32.178 -0.047 19155 411 1 1 . 1 1 72 72 LYS H H 72 8.414 8.414 7.824 0.590 19155 412 1 1 . 1 1 73 73 VAL N N 73 123.222 123.222 120.431 2.791 19155 413 1 1 . 1 1 73 73 VAL HA H 73 3.598 3.598 3.691 -0.093 19155 414 1 1 . 1 1 73 73 VAL C C 73 176.929 176.929 177.758 -0.829 19155 415 1 1 . 1 1 73 73 VAL CA C 73 66.975 66.975 67.228 -0.253 19155 416 1 1 . 1 1 73 73 VAL CB C 73 31.704 31.704 31.671 0.033 19155 417 1 1 . 1 1 73 73 VAL H H 73 8.421 8.421 8.139 0.282 19155 418 1 1 . 1 1 74 74 ASP N N 74 120.101 120.101 119.487 0.614 19155 419 1 1 . 1 1 74 74 ASP HA H 74 4.393 4.393 4.366 0.027 19155 420 1 1 . 1 1 74 74 ASP C C 74 180.001 180.001 178.346 1.655 19155 421 1 1 . 1 1 74 74 ASP CA C 74 57.324 57.324 57.852 -0.528 19155 422 1 1 . 1 1 74 74 ASP CB C 74 39.326 39.326 40.952 -1.626 19155 423 1 1 . 1 1 74 74 ASP H H 74 8.674 8.674 8.626 0.048 19155 424 1 1 . 1 1 75 75 GLU N N 75 121.349 121.349 120.015 1.334 19155 425 1 1 . 1 1 75 75 GLU HA H 75 4.113 4.113 4.023 0.090 19155 426 1 1 . 1 1 75 75 GLU C C 75 178.732 178.732 178.672 0.060 19155 427 1 1 . 1 1 75 75 GLU CA C 75 59.083 59.083 59.424 -0.341 19155 428 1 1 . 1 1 75 75 GLU CB C 75 29.975 29.975 29.742 0.233 19155 429 1 1 . 1 1 75 75 GLU H H 75 8.475 8.475 8.130 0.345 19155 430 1 1 . 1 1 76 76 ALA N N 76 124.160 124.160 122.178 1.982 19155 431 1 1 . 1 1 76 76 ALA HA H 76 4.281 4.281 4.153 0.128 19155 432 1 1 . 1 1 76 76 ALA C C 76 179.906 179.906 179.978 -0.072 19155 433 1 1 . 1 1 76 76 ALA CA C 76 55.530 55.530 55.275 0.255 19155 434 1 1 . 1 1 76 76 ALA CB C 76 17.424 17.424 18.428 -1.004 19155 435 1 1 . 1 1 76 76 ALA H H 76 7.944 7.944 8.163 -0.219 19155 436 1 1 . 1 1 77 77 VAL N N 77 117.439 117.439 119.528 -2.089 19155 437 1 1 . 1 1 77 77 VAL HA H 77 3.644 3.644 3.646 -0.002 19155 438 1 1 . 1 1 77 77 VAL C C 77 178.784 178.784 177.955 0.829 19155 439 1 1 . 1 1 77 77 VAL CA C 77 66.958 66.958 67.140 -0.182 19155 440 1 1 . 1 1 77 77 VAL CB C 77 31.807 31.807 31.506 0.301 19155 441 1 1 . 1 1 77 77 VAL H H 77 8.204 8.204 8.382 -0.178 19155 442 1 1 . 1 1 78 78 SER N N 78 113.687 113.687 113.591 0.096 19155 443 1 1 . 1 1 78 78 SER HA H 78 4.266 4.266 4.185 0.081 19155 444 1 1 . 1 1 78 78 SER C C 78 176.762 176.762 175.987 0.775 19155 445 1 1 . 1 1 78 78 SER CA C 78 61.241 61.241 61.288 -0.047 19155 446 1 1 . 1 1 78 78 SER CB C 78 62.678 62.678 62.997 -0.319 19155 447 1 1 . 1 1 78 78 SER H H 78 7.935 7.935 8.124 -0.189 19155 448 1 1 . 1 1 79 79 LYS N N 79 121.029 121.029 121.458 -0.429 19155 449 1 1 . 1 1 79 79 LYS HA H 79 4.070 4.070 4.169 -0.099 19155 450 1 1 . 1 1 79 79 LYS C C 79 178.135 178.135 178.779 -0.644 19155 451 1 1 . 1 1 79 79 LYS CA C 79 58.723 58.723 58.356 0.367 19155 452 1 1 . 1 1 79 79 LYS CB C 79 32.489 32.489 32.809 -0.320 19155 453 1 1 . 1 1 79 79 LYS H H 79 7.989 7.989 7.820 0.169 19155 454 1 1 . 1 1 80 80 PHE N N 80 117.437 117.437 119.656 -2.219 19155 455 1 1 . 1 1 80 80 PHE HA H 80 4.490 4.490 4.430 0.060 19155 456 1 1 . 1 1 80 80 PHE C C 80 176.236 176.236 177.423 -1.187 19155 457 1 1 . 1 1 80 80 PHE CA C 80 59.444 59.444 59.876 -0.432 19155 458 1 1 . 1 1 80 80 PHE CB C 80 40.032 40.032 38.923 1.109 19155 459 1 1 . 1 1 80 80 PHE H H 80 7.838 7.838 8.300 -0.462 19155 460 1 1 . 1 1 81 81 GLU N N 81 120.092 120.092 117.660 2.432 19155 461 1 1 . 1 1 81 81 GLU HA H 81 4.290 4.290 4.216 0.074 19155 462 1 1 . 1 1 81 81 GLU C C 81 175.715 175.715 176.575 -0.860 19155 463 1 1 . 1 1 81 81 GLU CA C 81 56.928 56.928 58.423 -1.495 19155 464 1 1 . 1 1 81 81 GLU CB C 81 29.997 29.997 29.945 0.052 19155 465 1 1 . 1 1 81 81 GLU H H 81 7.864 7.864 8.331 -0.467 19155 466 1 2 . 1 1 2 2 ASP N N 2 119.961 119.961 120.130 -0.169 19155 467 1 2 . 1 1 2 2 ASP HA H 2 4.440 4.440 4.514 -0.074 19155 468 1 2 . 1 1 2 2 ASP C C 2 178.594 178.594 178.032 0.562 19155 469 1 2 . 1 1 2 2 ASP CA C 2 57.997 57.997 57.457 0.540 19155 470 1 2 . 1 1 2 2 ASP CB C 2 40.098 40.098 40.812 -0.715 19155 471 1 2 . 1 1 2 2 ASP H H 2 8.260 8.260 8.689 -0.429 19155 472 1 2 . 1 1 3 3 SER N N 3 115.401 115.401 113.020 2.381 19155 473 1 2 . 1 1 3 3 SER HA H 3 4.358 4.358 4.222 0.136 19155 474 1 2 . 1 1 3 3 SER C C 3 177.657 177.657 176.159 1.498 19155 475 1 2 . 1 1 3 3 SER CA C 3 60.656 60.656 60.547 0.109 19155 476 1 2 . 1 1 3 3 SER CB C 3 62.319 62.319 62.845 -0.526 19155 477 1 2 . 1 1 3 3 SER H H 3 8.112 8.112 8.533 -0.421 19155 478 1 2 . 1 1 4 4 GLU N N 4 122.287 122.287 122.911 -0.624 19155 479 1 2 . 1 1 4 4 GLU HA H 4 4.045 4.045 4.336 -0.291 19155 480 1 2 . 1 1 4 4 GLU C C 4 180.035 180.035 178.525 1.510 19155 481 1 2 . 1 1 4 4 GLU CA C 4 59.072 59.072 58.235 0.837 19155 482 1 2 . 1 1 4 4 GLU CB C 4 28.538 28.538 30.100 -1.562 19155 483 1 2 . 1 1 4 4 GLU H H 4 8.472 8.472 7.595 0.877 19155 484 1 2 . 1 1 5 5 ARG N N 5 121.026 121.026 119.229 1.797 19155 485 1 2 . 1 1 5 5 ARG HA H 5 3.894 3.894 4.072 -0.178 19155 486 1 2 . 1 1 5 5 ARG C C 5 178.298 178.298 178.289 0.009 19155 487 1 2 . 1 1 5 5 ARG CA C 5 60.564 60.564 58.967 1.597 19155 488 1 2 . 1 1 5 5 ARG CB C 5 30.681 30.681 29.326 1.355 19155 489 1 2 . 1 1 5 5 ARG H H 5 8.771 8.771 8.707 0.064 19155 490 1 2 . 1 1 6 6 ASP N N 6 119.775 119.775 119.575 0.200 19155 491 1 2 . 1 1 6 6 ASP HA H 6 4.455 4.455 4.442 0.013 19155 492 1 2 . 1 1 6 6 ASP C C 6 178.676 178.676 178.328 0.348 19155 493 1 2 . 1 1 6 6 ASP CA C 6 57.956 57.956 57.328 0.628 19155 494 1 2 . 1 1 6 6 ASP CB C 6 40.774 40.774 40.534 0.240 19155 495 1 2 . 1 1 6 6 ASP H H 6 7.889 7.889 8.042 -0.153 19155 496 1 2 . 1 1 7 7 LYS N N 7 119.937 119.937 119.349 0.588 19155 497 1 2 . 1 1 7 7 LYS HA H 7 4.014 4.014 4.057 -0.043 19155 498 1 2 . 1 1 7 7 LYS C C 7 178.977 178.977 178.554 0.423 19155 499 1 2 . 1 1 7 7 LYS CA C 7 59.793 59.793 59.254 0.539 19155 500 1 2 . 1 1 7 7 LYS CB C 7 32.850 32.850 32.307 0.543 19155 501 1 2 . 1 1 7 7 LYS H H 7 7.950 7.950 7.383 0.567 19155 502 1 2 . 1 1 8 8 ALA N N 8 122.436 122.436 121.783 0.653 19155 503 1 2 . 1 1 8 8 ALA HA H 8 4.478 4.478 4.151 0.327 19155 504 1 2 . 1 1 8 8 ALA C C 8 178.764 178.764 179.490 -0.726 19155 505 1 2 . 1 1 8 8 ALA CA C 8 55.168 55.168 54.947 0.221 19155 506 1 2 . 1 1 8 8 ALA CB C 8 19.502 19.502 18.525 0.977 19155 507 1 2 . 1 1 8 8 ALA H H 8 7.976 7.976 8.281 -0.305 19155 508 1 2 . 1 1 9 9 ARG N N 9 118.059 118.059 116.864 1.195 19155 509 1 2 . 1 1 9 9 ARG HA H 9 3.801 3.801 3.990 -0.189 19155 510 1 2 . 1 1 9 9 ARG C C 9 177.874 177.874 178.373 -0.499 19155 511 1 2 . 1 1 9 9 ARG CA C 9 59.794 59.794 59.124 0.670 19155 512 1 2 . 1 1 9 9 ARG CB C 9 29.989 29.989 29.640 0.349 19155 513 1 2 . 1 1 9 9 ARG H H 9 8.489 8.489 8.428 0.061 19155 514 1 2 . 1 1 10 10 LYS N N 10 118.064 118.064 119.780 -1.716 19155 515 1 2 . 1 1 10 10 LYS HA H 10 4.138 4.138 4.081 0.057 19155 516 1 2 . 1 1 10 10 LYS C C 10 178.619 178.619 179.022 -0.403 19155 517 1 2 . 1 1 10 10 LYS CA C 10 59.421 59.421 59.218 0.203 19155 518 1 2 . 1 1 10 10 LYS CB C 10 32.467 32.467 32.007 0.460 19155 519 1 2 . 1 1 10 10 LYS H H 10 7.833 7.833 7.910 -0.077 19155 520 1 2 . 1 1 11 11 GLU N N 11 118.845 118.845 119.428 -0.583 19155 521 1 2 . 1 1 11 11 GLU HA H 11 4.107 4.107 4.108 -0.001 19155 522 1 2 . 1 1 11 11 GLU C C 11 180.137 180.137 179.045 1.092 19155 523 1 2 . 1 1 11 11 GLU CA C 11 59.803 59.803 59.548 0.255 19155 524 1 2 . 1 1 11 11 GLU CB C 11 29.248 29.248 29.294 -0.046 19155 525 1 2 . 1 1 11 11 GLU H H 11 7.991 7.991 8.286 -0.295 19155 526 1 2 . 1 1 12 12 VAL N N 12 120.562 120.562 115.569 4.993 19155 527 1 2 . 1 1 12 12 VAL HA H 12 3.851 3.851 3.829 0.022 19155 528 1 2 . 1 1 12 12 VAL C C 12 178.182 178.182 177.900 0.282 19155 529 1 2 . 1 1 12 12 VAL CA C 12 66.625 66.625 65.910 0.715 19155 530 1 2 . 1 1 12 12 VAL CB C 12 31.784 31.784 30.663 1.121 19155 531 1 2 . 1 1 12 12 VAL H H 12 8.173 8.173 7.461 0.712 19155 532 1 2 . 1 1 13 13 GLU N N 13 117.912 117.912 121.640 -3.728 19155 533 1 2 . 1 1 13 13 GLU HA H 13 3.841 3.841 4.000 -0.159 19155 534 1 2 . 1 1 13 13 GLU C C 13 179.959 179.959 179.102 0.857 19155 535 1 2 . 1 1 13 13 GLU CA C 13 60.498 60.498 60.333 0.166 19155 536 1 2 . 1 1 13 13 GLU CB C 13 30.014 30.014 29.389 0.625 19155 537 1 2 . 1 1 13 13 GLU H H 13 8.624 8.624 8.492 0.132 19155 538 1 2 . 1 1 14 14 GLU N N 14 117.909 117.909 120.313 -2.404 19155 539 1 2 . 1 1 14 14 GLU HA H 14 4.025 4.025 4.111 -0.086 19155 540 1 2 . 1 1 14 14 GLU C C 14 179.020 179.020 178.963 0.057 19155 541 1 2 . 1 1 14 14 GLU CA C 14 59.442 59.442 59.233 0.209 19155 542 1 2 . 1 1 14 14 GLU CB C 14 29.257 29.257 29.770 -0.513 19155 543 1 2 . 1 1 14 14 GLU H H 14 8.904 8.904 8.374 0.530 19155 544 1 2 . 1 1 15 15 TYR N N 15 122.592 122.592 121.436 1.156 19155 545 1 2 . 1 1 15 15 TYR HA H 15 4.359 4.359 4.151 0.208 19155 546 1 2 . 1 1 15 15 TYR C C 15 177.581 177.581 177.791 -0.210 19155 547 1 2 . 1 1 15 15 TYR CA C 15 62.430 62.430 62.148 0.282 19155 548 1 2 . 1 1 15 15 TYR CB C 15 38.541 38.541 38.728 -0.187 19155 549 1 2 . 1 1 15 15 TYR H H 15 8.170 8.170 8.482 -0.312 19155 550 1 2 . 1 1 16 16 VAL N N 16 116.497 116.497 118.991 -2.494 19155 551 1 2 . 1 1 16 16 VAL HA H 16 3.386 3.386 3.397 -0.011 19155 552 1 2 . 1 1 16 16 VAL C C 16 177.221 177.221 177.389 -0.168 19155 553 1 2 . 1 1 16 16 VAL CA C 16 68.053 68.053 67.201 0.852 19155 554 1 2 . 1 1 16 16 VAL CB C 16 31.427 31.427 31.830 -0.403 19155 555 1 2 . 1 1 16 16 VAL H H 16 7.953 7.953 8.570 -0.617 19155 556 1 2 . 1 1 17 17 LYS N N 17 118.530 118.530 118.737 -0.207 19155 557 1 2 . 1 1 17 17 LYS HA H 17 3.922 3.922 3.981 -0.059 19155 558 1 2 . 1 1 17 17 LYS C C 17 179.742 179.742 178.480 1.262 19155 559 1 2 . 1 1 17 17 LYS CA C 17 60.145 60.145 59.523 0.622 19155 560 1 2 . 1 1 17 17 LYS CB C 17 32.827 32.827 31.892 0.935 19155 561 1 2 . 1 1 17 17 LYS H H 17 8.274 8.274 8.260 0.014 19155 562 1 2 . 1 1 18 18 LYS N N 18 121.031 121.031 120.679 0.352 19155 563 1 2 . 1 1 18 18 LYS HA H 18 4.018 4.018 4.007 0.011 19155 564 1 2 . 1 1 18 18 LYS C C 18 178.962 178.962 178.456 0.506 19155 565 1 2 . 1 1 18 18 LYS CA C 18 59.085 59.085 59.555 -0.470 19155 566 1 2 . 1 1 18 18 LYS CB C 18 32.132 32.132 32.344 -0.212 19155 567 1 2 . 1 1 18 18 LYS H H 18 7.946 7.946 8.093 -0.147 19155 568 1 2 . 1 1 19 19 ILE N N 19 120.718 120.718 119.142 1.576 19155 569 1 2 . 1 1 19 19 ILE HA H 19 3.727 3.727 3.793 -0.066 19155 570 1 2 . 1 1 19 19 ILE C C 19 172.120 172.120 178.303 -6.183 19155 571 1 2 . 1 1 19 19 ILE CA C 19 62.128 62.128 63.431 -1.304 19155 572 1 2 . 1 1 19 19 ILE CB C 19 35.988 35.988 37.329 -1.341 19155 573 1 2 . 1 1 19 19 ILE H H 19 7.796 7.796 7.785 0.011 19155 574 1 2 . 1 1 20 20 VAL N N 20 124.792 124.792 121.459 3.333 19155 575 1 2 . 1 1 20 20 VAL HA H 20 3.312 3.312 3.538 -0.226 19155 576 1 2 . 1 1 20 20 VAL C C 20 177.873 177.873 178.455 -0.582 19155 577 1 2 . 1 1 20 20 VAL CA C 20 67.738 67.738 66.969 0.769 19155 578 1 2 . 1 1 20 20 VAL CB C 20 31.772 31.772 31.409 0.363 19155 579 1 2 . 1 1 20 20 VAL H H 20 9.190 9.190 8.820 0.370 19155 580 1 2 . 1 1 21 21 GLY N N 21 106.034 106.034 107.599 -1.565 19155 581 1 2 . 1 1 21 21 GLY C C 21 177.470 177.470 176.102 1.368 19155 582 1 2 . 1 1 21 21 GLY CA C 21 47.226 47.226 47.344 -0.118 19155 583 1 2 . 1 1 21 21 GLY H H 21 8.117 8.117 8.450 -0.333 19155 584 1 2 . 1 1 22 22 GLU N N 22 122.282 122.282 121.684 0.598 19155 585 1 2 . 1 1 22 22 GLU HA H 22 4.104 4.104 4.035 0.069 19155 586 1 2 . 1 1 22 22 GLU C C 22 178.827 178.827 179.113 -0.286 19155 587 1 2 . 1 1 22 22 GLU CA C 22 59.016 59.016 59.303 -0.287 19155 588 1 2 . 1 1 22 22 GLU CB C 22 29.619 29.619 29.259 0.360 19155 589 1 2 . 1 1 22 22 GLU H H 22 8.197 8.197 8.358 -0.161 19155 590 1 2 . 1 1 23 23 SER N N 23 116.812 116.812 116.413 0.399 19155 591 1 2 . 1 1 23 23 SER HA H 23 4.201 4.201 4.037 0.164 19155 592 1 2 . 1 1 23 23 SER C C 23 177.084 177.084 176.296 0.788 19155 593 1 2 . 1 1 23 23 SER CA C 23 61.998 61.998 62.132 -0.134 19155 594 1 2 . 1 1 23 23 SER CB C 23 62.105 62.105 62.397 -0.292 19155 595 1 2 . 1 1 23 23 SER H H 23 8.285 8.285 8.218 0.067 19155 596 1 2 . 1 1 24 24 TYR N N 24 120.879 120.879 122.153 -1.274 19155 597 1 2 . 1 1 24 24 TYR HA H 24 4.396 4.396 4.337 0.059 19155 598 1 2 . 1 1 24 24 TYR C C 24 178.846 178.846 178.570 0.276 19155 599 1 2 . 1 1 24 24 TYR CA C 24 61.189 61.189 60.981 0.208 19155 600 1 2 . 1 1 24 24 TYR CB C 24 37.866 37.866 37.619 0.247 19155 601 1 2 . 1 1 24 24 TYR H H 24 8.254 8.254 7.366 0.888 19155 602 1 2 . 1 1 25 25 ALA N N 25 122.124 122.124 121.928 0.196 19155 603 1 2 . 1 1 25 25 ALA HA H 25 4.251 4.251 4.139 0.112 19155 604 1 2 . 1 1 25 25 ALA C C 25 178.999 178.999 178.726 0.273 19155 605 1 2 . 1 1 25 25 ALA CA C 25 54.608 54.608 54.535 0.073 19155 606 1 2 . 1 1 25 25 ALA CB C 25 18.108 18.108 18.407 -0.299 19155 607 1 2 . 1 1 25 25 ALA H H 25 8.018 8.018 8.013 0.005 19155 608 1 2 . 1 1 26 26 LYS N N 26 115.251 115.251 116.588 -1.337 19155 609 1 2 . 1 1 26 26 LYS HA H 26 4.459 4.459 4.257 0.202 19155 610 1 2 . 1 1 26 26 LYS C C 26 176.598 176.598 176.369 0.229 19155 611 1 2 . 1 1 26 26 LYS CA C 26 56.209 56.209 56.945 -0.736 19155 612 1 2 . 1 1 26 26 LYS CB C 26 33.191 33.191 32.876 0.315 19155 613 1 2 . 1 1 26 26 LYS H H 26 7.533 7.533 8.535 -1.002 19155 614 1 2 . 1 1 27 27 SER N N 27 115.400 115.400 114.358 1.042 19155 615 1 2 . 1 1 27 27 SER HA H 27 4.332 4.332 4.823 -0.491 19155 616 1 2 . 1 1 27 27 SER C C 27 174.768 174.768 172.618 2.150 19155 617 1 2 . 1 1 27 27 SER CA C 27 58.808 58.808 57.521 1.287 19155 618 1 2 . 1 1 27 27 SER CB C 27 63.397 63.397 65.393 -1.996 19155 619 1 2 . 1 1 27 27 SER H H 27 7.570 7.570 7.705 -0.135 19155 620 1 2 . 1 1 28 28 THR N N 28 114.468 114.468 112.425 2.043 19155 621 1 2 . 1 1 28 28 THR HA H 28 4.649 4.649 4.666 -0.017 19155 622 1 2 . 1 1 28 28 THR CA C 28 60.242 60.242 60.302 -0.060 19155 623 1 2 . 1 1 28 28 THR CB C 28 71.544 71.544 71.003 0.541 19155 624 1 2 . 1 1 28 28 THR H H 28 7.725 7.725 7.897 -0.172 19155 625 1 2 . 1 1 29 29 LYS HA H 29 4.300 4.300 4.113 0.187 19155 626 1 2 . 1 1 29 29 LYS CA C 29 57.974 57.974 58.791 -0.817 19155 627 1 2 . 1 1 29 29 LYS CB C 29 32.820 32.820 32.076 0.744 19155 628 1 2 . 1 1 30 30 LYS HA H 30 4.154 4.154 4.134 0.020 19155 629 1 2 . 1 1 30 30 LYS CA C 30 58.725 58.725 58.044 0.681 19155 630 1 2 . 1 1 31 31 ARG HA H 31 4.533 4.533 4.641 -0.108 19155 631 1 2 . 1 1 31 31 ARG CA C 31 56.137 56.137 55.665 0.472 19155 632 1 2 . 1 1 31 31 ARG CB C 31 31.003 31.003 30.806 0.197 19155 633 1 2 . 1 1 32 32 HIS HA H 32 4.570 4.570 4.373 0.197 19155 634 1 2 . 1 1 32 32 HIS C C 32 176.136 176.136 177.167 -1.031 19155 635 1 2 . 1 1 32 32 HIS CA C 32 58.689 58.689 60.276 -1.587 19155 636 1 2 . 1 1 32 32 HIS CB C 32 30.731 30.731 30.075 0.656 19155 637 1 2 . 1 1 33 33 THR N N 33 111.162 111.162 115.362 -4.200 19155 638 1 2 . 1 1 33 33 THR HA H 33 3.976 3.976 4.125 -0.149 19155 639 1 2 . 1 1 33 33 THR C C 33 176.807 176.807 176.177 0.630 19155 640 1 2 . 1 1 33 33 THR CA C 33 65.194 65.194 66.291 -1.097 19155 641 1 2 . 1 1 33 33 THR CB C 33 68.428 68.428 68.579 -0.151 19155 642 1 2 . 1 1 33 33 THR H H 33 8.355 8.355 8.445 -0.090 19155 643 1 2 . 1 1 34 34 ILE N N 34 123.220 123.220 122.044 1.176 19155 644 1 2 . 1 1 34 34 ILE HA H 34 4.047 4.047 3.791 0.256 19155 645 1 2 . 1 1 34 34 ILE C C 34 176.944 176.944 177.170 -0.226 19155 646 1 2 . 1 1 34 34 ILE CA C 34 63.746 63.746 64.885 -1.139 19155 647 1 2 . 1 1 34 34 ILE CB C 34 37.905 37.905 37.529 0.376 19155 648 1 2 . 1 1 34 34 ILE H H 34 7.824 7.824 7.905 -0.081 19155 649 1 2 . 1 1 35 35 THR N N 35 118.694 118.694 115.522 3.172 19155 650 1 2 . 1 1 35 35 THR HA H 35 4.103 4.103 3.709 0.394 19155 651 1 2 . 1 1 35 35 THR C C 35 175.385 175.385 176.204 -0.819 19155 652 1 2 . 1 1 35 35 THR CA C 35 63.339 63.339 65.950 -2.611 19155 653 1 2 . 1 1 35 35 THR CB C 35 68.428 68.428 68.361 0.067 19155 654 1 2 . 1 1 35 35 THR H H 35 8.053 8.053 7.849 0.204 19155 655 1 2 . 1 1 36 36 VAL N N 36 120.252 120.252 122.334 -2.082 19155 656 1 2 . 1 1 36 36 VAL HA H 36 3.494 3.494 3.719 -0.225 19155 657 1 2 . 1 1 36 36 VAL C C 36 177.667 177.667 176.843 0.824 19155 658 1 2 . 1 1 36 36 VAL CA C 36 66.312 66.312 65.421 0.891 19155 659 1 2 . 1 1 36 36 VAL CB C 36 31.787 31.787 31.550 0.237 19155 660 1 2 . 1 1 36 36 VAL H H 36 8.148 8.148 7.745 0.403 19155 661 1 2 . 1 1 37 37 ALA N N 37 121.815 121.815 122.876 -1.061 19155 662 1 2 . 1 1 37 37 ALA HA H 37 4.168 4.168 4.049 0.119 19155 663 1 2 . 1 1 37 37 ALA C C 37 180.404 180.404 179.287 1.117 19155 664 1 2 . 1 1 37 37 ALA CA C 37 55.062 55.062 55.212 -0.150 19155 665 1 2 . 1 1 37 37 ALA CB C 37 18.114 18.114 18.184 -0.070 19155 666 1 2 . 1 1 37 37 ALA H H 37 7.526 7.526 7.412 0.114 19155 667 1 2 . 1 1 38 38 LEU N N 38 122.124 122.124 119.160 2.964 19155 668 1 2 . 1 1 38 38 LEU HA H 38 3.574 3.574 3.109 0.465 19155 669 1 2 . 1 1 38 38 LEU C C 38 177.815 177.815 178.285 -0.470 19155 670 1 2 . 1 1 38 38 LEU CA C 38 57.671 57.671 56.907 0.764 19155 671 1 2 . 1 1 38 38 LEU CB C 38 40.383 40.383 41.303 -0.920 19155 672 1 2 . 1 1 38 38 LEU H H 38 7.987 7.987 7.492 0.495 19155 673 1 2 . 1 1 39 39 VAL N N 39 119.627 119.627 119.754 -0.127 19155 674 1 2 . 1 1 39 39 VAL HA H 39 3.295 3.295 3.366 -0.071 19155 675 1 2 . 1 1 39 39 VAL C C 39 178.084 178.084 177.538 0.546 19155 676 1 2 . 1 1 39 39 VAL CA C 39 67.710 67.710 66.964 0.746 19155 677 1 2 . 1 1 39 39 VAL CB C 39 31.393 31.393 31.303 0.090 19155 678 1 2 . 1 1 39 39 VAL H H 39 8.410 8.410 8.413 -0.003 19155 679 1 2 . 1 1 40 40 ASN N N 40 117.904 117.904 118.460 -0.556 19155 680 1 2 . 1 1 40 40 ASN HA H 40 4.528 4.528 4.369 0.159 19155 681 1 2 . 1 1 40 40 ASN C C 40 177.814 177.814 177.971 -0.157 19155 682 1 2 . 1 1 40 40 ASN CA C 40 56.214 56.214 56.323 -0.109 19155 683 1 2 . 1 1 40 40 ASN CB C 40 37.990 37.990 37.786 0.204 19155 684 1 2 . 1 1 40 40 ASN H H 40 8.211 8.211 8.432 -0.221 19155 685 1 2 . 1 1 41 41 GLU N N 41 122.117 122.117 120.959 1.158 19155 686 1 2 . 1 1 41 41 GLU HA H 41 4.330 4.330 4.210 0.120 19155 687 1 2 . 1 1 41 41 GLU C C 41 179.186 179.186 178.707 0.479 19155 688 1 2 . 1 1 41 41 GLU CA C 41 59.444 59.444 58.722 0.722 19155 689 1 2 . 1 1 41 41 GLU CB C 41 28.935 28.935 29.549 -0.614 19155 690 1 2 . 1 1 41 41 GLU H H 41 7.895 7.895 7.443 0.452 19155 691 1 2 . 1 1 42 42 LEU N N 42 118.997 118.997 119.858 -0.861 19155 692 1 2 . 1 1 42 42 LEU HA H 42 4.036 4.036 3.796 0.240 19155 693 1 2 . 1 1 42 42 LEU C C 42 179.072 179.072 178.761 0.311 19155 694 1 2 . 1 1 42 42 LEU CA C 42 58.028 58.028 58.580 -0.552 19155 695 1 2 . 1 1 42 42 LEU CB C 42 41.053 41.053 41.583 -0.530 19155 696 1 2 . 1 1 42 42 LEU H H 42 8.915 8.915 8.493 0.422 19155 697 1 2 . 1 1 43 43 ASN N N 43 117.439 117.439 116.547 0.892 19155 698 1 2 . 1 1 43 43 ASN HA H 43 4.560 4.560 4.392 0.168 19155 699 1 2 . 1 1 43 43 ASN C C 43 177.692 177.692 177.250 0.442 19155 700 1 2 . 1 1 43 43 ASN CA C 43 56.224 56.224 56.850 -0.626 19155 701 1 2 . 1 1 43 43 ASN CB C 43 38.241 38.241 38.301 -0.060 19155 702 1 2 . 1 1 43 43 ASN H H 43 8.436 8.436 8.410 0.026 19155 703 1 2 . 1 1 44 44 ASN N N 44 121.188 121.188 119.746 1.442 19155 704 1 2 . 1 1 44 44 ASN HA H 44 4.647 4.647 4.591 0.056 19155 705 1 2 . 1 1 44 44 ASN C C 44 178.704 178.704 177.579 1.125 19155 706 1 2 . 1 1 44 44 ASN CA C 44 56.233 56.233 55.782 0.451 19155 707 1 2 . 1 1 44 44 ASN CB C 44 37.466 37.466 38.343 -0.877 19155 708 1 2 . 1 1 44 44 ASN H H 44 8.079 8.079 7.545 0.534 19155 709 1 2 . 1 1 45 45 ILE N N 45 124.315 124.315 121.163 3.152 19155 710 1 2 . 1 1 45 45 ILE HA H 45 3.985 3.985 3.805 0.180 19155 711 1 2 . 1 1 45 45 ILE C C 45 177.925 177.925 178.216 -0.291 19155 712 1 2 . 1 1 45 45 ILE CA C 45 65.578 65.578 65.591 -0.013 19155 713 1 2 . 1 1 45 45 ILE CB C 45 38.903 38.903 37.614 1.289 19155 714 1 2 . 1 1 45 45 ILE H H 45 8.533 8.533 8.384 0.149 19155 715 1 2 . 1 1 46 46 LYS N N 46 119.624 119.624 120.432 -0.808 19155 716 1 2 . 1 1 46 46 LYS HA H 46 3.743 3.743 3.891 -0.148 19155 717 1 2 . 1 1 46 46 LYS C C 46 177.699 177.699 179.113 -1.414 19155 718 1 2 . 1 1 46 46 LYS CA C 46 60.161 60.161 60.410 -0.249 19155 719 1 2 . 1 1 46 46 LYS CB C 46 31.420 31.420 32.366 -0.946 19155 720 1 2 . 1 1 46 46 LYS H H 46 8.660 8.660 8.257 0.403 19155 721 1 2 . 1 1 47 47 ASN N N 47 116.034 116.034 117.293 -1.259 19155 722 1 2 . 1 1 47 47 ASN HA H 47 4.468 4.468 4.572 -0.104 19155 723 1 2 . 1 1 47 47 ASN C C 47 177.768 177.768 177.480 0.288 19155 724 1 2 . 1 1 47 47 ASN CA C 47 56.538 56.538 55.793 0.745 19155 725 1 2 . 1 1 47 47 ASN CB C 47 37.882 37.882 38.071 -0.189 19155 726 1 2 . 1 1 47 47 ASN H H 47 8.344 8.344 8.219 0.125 19155 727 1 2 . 1 1 48 48 GLU N N 48 121.665 121.665 122.088 -0.423 19155 728 1 2 . 1 1 48 48 GLU HA H 48 4.044 4.044 3.951 0.093 19155 729 1 2 . 1 1 48 48 GLU C C 48 179.915 179.915 179.221 0.694 19155 730 1 2 . 1 1 48 48 GLU CA C 48 59.444 59.444 59.824 -0.380 19155 731 1 2 . 1 1 48 48 GLU CB C 48 29.230 29.230 29.770 -0.540 19155 732 1 2 . 1 1 48 48 GLU H H 48 8.301 8.301 8.488 -0.187 19155 733 1 2 . 1 1 49 49 TYR N N 49 117.600 117.600 117.929 -0.329 19155 734 1 2 . 1 1 49 49 TYR HA H 49 3.992 3.992 4.401 -0.409 19155 735 1 2 . 1 1 49 49 TYR C C 49 178.275 178.275 178.054 0.221 19155 736 1 2 . 1 1 49 49 TYR CA C 49 64.508 64.508 61.118 3.390 19155 737 1 2 . 1 1 49 49 TYR CB C 49 37.881 37.881 38.760 -0.878 19155 738 1 2 . 1 1 49 49 TYR H H 49 8.581 8.581 8.409 0.172 19155 739 1 2 . 1 1 50 50 LEU N N 50 122.126 122.126 121.482 0.644 19155 740 1 2 . 1 1 50 50 LEU HA H 50 4.181 4.181 3.785 0.396 19155 741 1 2 . 1 1 50 50 LEU C C 50 180.089 180.089 178.694 1.395 19155 742 1 2 . 1 1 50 50 LEU CA C 50 59.061 59.061 58.843 0.218 19155 743 1 2 . 1 1 50 50 LEU CB C 50 40.096 40.096 41.666 -1.570 19155 744 1 2 . 1 1 50 50 LEU H H 50 9.207 9.207 8.653 0.554 19155 745 1 2 . 1 1 51 51 ASN N N 51 117.124 117.124 116.847 0.277 19155 746 1 2 . 1 1 51 51 ASN HA H 51 4.535 4.535 4.398 0.137 19155 747 1 2 . 1 1 51 51 ASN C C 51 177.522 177.522 177.542 -0.020 19155 748 1 2 . 1 1 51 51 ASN CA C 51 56.240 56.240 56.345 -0.105 19155 749 1 2 . 1 1 51 51 ASN CB C 51 37.898 37.898 38.367 -0.469 19155 750 1 2 . 1 1 51 51 ASN H H 51 7.634 7.634 8.225 -0.591 19155 751 1 2 . 1 1 52 52 LYS N N 52 119.154 119.154 118.089 1.065 19155 752 1 2 . 1 1 52 52 LYS HA H 52 4.037 4.037 4.072 -0.035 19155 753 1 2 . 1 1 52 52 LYS C C 52 179.905 179.905 177.408 2.497 19155 754 1 2 . 1 1 52 52 LYS CA C 52 59.803 59.803 58.869 0.934 19155 755 1 2 . 1 1 52 52 LYS CB C 52 33.215 33.215 32.330 0.885 19155 756 1 2 . 1 1 52 52 LYS H H 52 7.663 7.663 7.268 0.395 19155 757 1 2 . 1 1 53 53 ILE N N 53 121.662 121.662 117.475 4.187 19155 758 1 2 . 1 1 53 53 ILE HA H 53 3.532 3.532 3.919 -0.387 19155 759 1 2 . 1 1 53 53 ILE C C 53 178.489 178.489 177.966 0.523 19155 760 1 2 . 1 1 53 53 ILE CA C 53 65.906 65.906 64.280 1.626 19155 761 1 2 . 1 1 53 53 ILE CB C 53 38.249 38.249 38.617 -0.368 19155 762 1 2 . 1 1 53 53 ILE H H 53 8.493 8.493 7.825 0.668 19155 763 1 2 . 1 1 54 54 VAL N N 54 119.477 119.477 119.459 0.018 19155 764 1 2 . 1 1 54 54 VAL HA H 54 3.647 3.647 3.780 -0.133 19155 765 1 2 . 1 1 54 54 VAL C C 54 176.683 176.683 176.272 0.411 19155 766 1 2 . 1 1 54 54 VAL CA C 54 66.643 66.643 65.239 1.404 19155 767 1 2 . 1 1 54 54 VAL CB C 54 31.448 31.448 32.444 -0.996 19155 768 1 2 . 1 1 54 54 VAL H H 54 7.598 7.598 8.118 -0.520 19155 769 1 2 . 1 1 55 55 GLU N N 55 114.467 114.467 117.872 -3.405 19155 770 1 2 . 1 1 55 55 GLU HA H 55 4.281 4.281 4.427 -0.146 19155 771 1 2 . 1 1 55 55 GLU C C 55 176.914 176.914 175.647 1.267 19155 772 1 2 . 1 1 55 55 GLU CA C 55 56.195 56.195 55.188 1.007 19155 773 1 2 . 1 1 55 55 GLU CB C 55 30.354 30.354 29.736 0.618 19155 774 1 2 . 1 1 55 55 GLU H H 55 7.064 7.064 7.684 -0.620 19155 775 1 2 . 1 1 56 56 SER N N 56 116.806 116.806 114.821 1.985 19155 776 1 2 . 1 1 56 56 SER HA H 56 4.435 4.435 4.456 -0.021 19155 777 1 2 . 1 1 56 56 SER C C 56 175.566 175.566 175.099 0.467 19155 778 1 2 . 1 1 56 56 SER CA C 56 60.163 60.163 59.197 0.966 19155 779 1 2 . 1 1 56 56 SER CB C 56 64.439 64.439 64.243 0.196 19155 780 1 2 . 1 1 56 56 SER H H 56 7.504 7.504 7.507 -0.003 19155 781 1 2 . 1 1 57 57 THR N N 57 111.347 111.347 119.506 -8.159 19155 782 1 2 . 1 1 57 57 THR HA H 57 4.539 4.539 4.555 -0.016 19155 783 1 2 . 1 1 57 57 THR C C 57 174.424 174.424 173.925 0.499 19155 784 1 2 . 1 1 57 57 THR CA C 57 61.518 61.518 61.613 -0.095 19155 785 1 2 . 1 1 57 57 THR CB C 57 70.377 70.377 69.234 1.143 19155 786 1 2 . 1 1 57 57 THR H H 57 9.083 9.083 8.901 0.182 19155 787 1 2 . 1 1 58 58 SER N N 58 115.415 115.415 118.170 -2.755 19155 788 1 2 . 1 1 58 58 SER HA H 58 5.059 5.059 4.741 0.318 19155 789 1 2 . 1 1 58 58 SER C C 58 174.278 174.278 174.174 0.104 19155 790 1 2 . 1 1 58 58 SER CA C 58 56.928 56.928 57.441 -0.513 19155 791 1 2 . 1 1 58 58 SER CB C 58 66.570 66.570 65.611 0.959 19155 792 1 2 . 1 1 58 58 SER H H 58 7.689 7.689 7.542 0.147 19155 793 1 2 . 1 1 59 59 GLU N N 59 124.305 124.305 126.449 -2.144 19155 794 1 2 . 1 1 59 59 GLU HA H 59 3.990 3.990 4.048 -0.058 19155 795 1 2 . 1 1 59 59 GLU C C 59 179.113 179.113 177.760 1.353 19155 796 1 2 . 1 1 59 59 GLU CA C 59 60.159 60.159 59.249 0.910 19155 797 1 2 . 1 1 59 59 GLU CB C 59 29.616 29.616 29.247 0.369 19155 798 1 2 . 1 1 59 59 GLU H H 59 9.719 9.719 9.102 0.617 19155 799 1 2 . 1 1 60 60 SER N N 60 115.406 115.406 115.032 0.374 19155 800 1 2 . 1 1 60 60 SER HA H 60 4.249 4.249 4.024 0.225 19155 801 1 2 . 1 1 60 60 SER C C 60 177.307 177.307 176.286 1.021 19155 802 1 2 . 1 1 60 60 SER CA C 60 61.259 61.259 61.338 -0.079 19155 803 1 2 . 1 1 60 60 SER CB C 60 61.960 61.960 62.727 -0.767 19155 804 1 2 . 1 1 60 60 SER H H 60 8.614 8.614 8.082 0.532 19155 805 1 2 . 1 1 61 61 GLN N N 61 121.656 121.656 123.214 -1.558 19155 806 1 2 . 1 1 61 61 GLN HA H 61 4.107 4.107 4.126 -0.019 19155 807 1 2 . 1 1 61 61 GLN C C 61 178.777 178.777 178.064 0.713 19155 808 1 2 . 1 1 61 61 GLN CA C 61 58.743 58.743 58.241 0.502 19155 809 1 2 . 1 1 61 61 GLN CB C 61 28.900 28.900 28.476 0.424 19155 810 1 2 . 1 1 61 61 GLN H H 61 7.669 7.669 7.964 -0.295 19155 811 1 2 . 1 1 62 62 LEU N N 62 118.689 118.689 118.841 -0.152 19155 812 1 2 . 1 1 62 62 LEU HA H 62 4.035 4.035 3.881 0.154 19155 813 1 2 . 1 1 62 62 LEU C C 62 178.363 178.363 178.995 -0.632 19155 814 1 2 . 1 1 62 62 LEU CA C 62 58.725 58.725 57.933 0.792 19155 815 1 2 . 1 1 62 62 LEU CB C 62 41.836 41.836 41.539 0.297 19155 816 1 2 . 1 1 62 62 LEU H H 62 7.736 7.736 7.871 -0.135 19155 817 1 2 . 1 1 63 63 GLN N N 63 117.441 117.441 116.259 1.182 19155 818 1 2 . 1 1 63 63 GLN HA H 63 4.078 4.078 4.144 -0.066 19155 819 1 2 . 1 1 63 63 GLN C C 63 179.312 179.312 178.899 0.413 19155 820 1 2 . 1 1 63 63 GLN CA C 63 59.062 59.062 57.828 1.234 19155 821 1 2 . 1 1 63 63 GLN CB C 63 27.819 27.819 28.471 -0.652 19155 822 1 2 . 1 1 63 63 GLN H H 63 7.943 7.943 7.674 0.269 19155 823 1 2 . 1 1 64 64 ILE N N 64 120.406 120.406 121.201 -0.795 19155 824 1 2 . 1 1 64 64 ILE HA H 64 3.809 3.809 3.880 -0.071 19155 825 1 2 . 1 1 64 64 ILE C C 64 178.734 178.734 177.941 0.793 19155 826 1 2 . 1 1 64 64 ILE CA C 64 64.722 64.722 61.794 2.928 19155 827 1 2 . 1 1 64 64 ILE CB C 64 37.971 37.971 36.692 1.279 19155 828 1 2 . 1 1 64 64 ILE H H 64 7.544 7.544 7.721 -0.177 19155 829 1 2 . 1 1 65 65 LEU N N 65 120.247 120.247 120.074 0.173 19155 830 1 2 . 1 1 65 65 LEU HA H 65 4.212 4.212 4.035 0.177 19155 831 1 2 . 1 1 65 65 LEU C C 65 179.685 179.685 178.885 0.800 19155 832 1 2 . 1 1 65 65 LEU CA C 65 58.004 58.004 58.158 -0.154 19155 833 1 2 . 1 1 65 65 LEU CB C 65 42.553 42.553 41.431 1.122 19155 834 1 2 . 1 1 65 65 LEU H H 65 8.361 8.361 8.661 -0.300 19155 835 1 2 . 1 1 66 66 MET N N 66 118.685 118.685 116.540 2.145 19155 836 1 2 . 1 1 66 66 MET HA H 66 3.918 3.918 4.074 -0.156 19155 837 1 2 . 1 1 66 66 MET C C 66 178.906 178.906 177.965 0.941 19155 838 1 2 . 1 1 66 66 MET CA C 66 59.467 59.467 58.861 0.606 19155 839 1 2 . 1 1 66 66 MET CB C 66 33.519 33.519 32.505 1.014 19155 840 1 2 . 1 1 66 66 MET H H 66 8.458 8.458 7.538 0.920 19155 841 1 2 . 1 1 67 67 MET N N 67 118.685 118.685 118.805 -0.120 19155 842 1 2 . 1 1 67 67 MET HA H 67 4.098 4.098 4.221 -0.123 19155 843 1 2 . 1 1 67 67 MET C C 67 178.781 178.781 178.328 0.453 19155 844 1 2 . 1 1 67 67 MET CA C 67 58.379 58.379 58.944 -0.565 19155 845 1 2 . 1 1 67 67 MET CB C 67 32.031 32.031 33.019 -0.988 19155 846 1 2 . 1 1 67 67 MET H H 67 7.559 7.559 8.420 -0.861 19155 847 1 2 . 1 1 68 68 GLU N N 68 122.128 122.128 121.004 1.124 19155 848 1 2 . 1 1 68 68 GLU HA H 68 3.990 3.990 4.073 -0.083 19155 849 1 2 . 1 1 68 68 GLU C C 68 178.803 178.803 178.917 -0.114 19155 850 1 2 . 1 1 68 68 GLU CA C 68 59.459 59.459 58.990 0.469 19155 851 1 2 . 1 1 68 68 GLU CB C 68 30.706 30.706 28.989 1.717 19155 852 1 2 . 1 1 68 68 GLU H H 68 8.895 8.895 8.392 0.503 19155 853 1 2 . 1 1 69 69 SER N N 69 114.769 114.769 114.412 0.357 19155 854 1 2 . 1 1 69 69 SER HA H 69 2.872 2.872 3.153 -0.281 19155 855 1 2 . 1 1 69 69 SER C C 69 175.801 175.801 176.030 -0.229 19155 856 1 2 . 1 1 69 69 SER CA C 69 62.000 62.000 61.061 0.939 19155 857 1 2 . 1 1 69 69 SER CB C 69 62.282 62.282 62.438 -0.155 19155 858 1 2 . 1 1 69 69 SER H H 69 8.161 8.161 8.073 0.088 19155 859 1 2 . 1 1 70 70 ARG N N 70 120.552 120.552 120.606 -0.054 19155 860 1 2 . 1 1 70 70 ARG HA H 70 3.744 3.744 3.734 0.010 19155 861 1 2 . 1 1 70 70 ARG C C 70 177.654 177.654 178.271 -0.617 19155 862 1 2 . 1 1 70 70 ARG CA C 70 59.793 59.793 59.270 0.523 19155 863 1 2 . 1 1 70 70 ARG CB C 70 29.974 29.974 29.765 0.209 19155 864 1 2 . 1 1 70 70 ARG H H 70 6.945 6.945 7.720 -0.775 19155 865 1 2 . 1 1 71 71 SER N N 71 113.064 113.064 115.835 -2.771 19155 866 1 2 . 1 1 71 71 SER HA H 71 4.275 4.275 4.080 0.195 19155 867 1 2 . 1 1 71 71 SER C C 71 177.491 177.491 176.106 1.385 19155 868 1 2 . 1 1 71 71 SER CA C 71 61.571 61.571 62.498 -0.927 19155 869 1 2 . 1 1 71 71 SER CB C 71 62.710 62.710 62.627 0.083 19155 870 1 2 . 1 1 71 71 SER H H 71 7.721 7.721 8.324 -0.603 19155 871 1 2 . 1 1 72 72 LYS N N 72 121.657 121.657 122.608 -0.951 19155 872 1 2 . 1 1 72 72 LYS HA H 72 4.170 4.170 4.114 0.056 19155 873 1 2 . 1 1 72 72 LYS C C 72 180.429 180.429 178.882 1.547 19155 874 1 2 . 1 1 72 72 LYS CA C 72 58.725 58.725 59.044 -0.319 19155 875 1 2 . 1 1 72 72 LYS CB C 72 32.131 32.131 32.297 -0.166 19155 876 1 2 . 1 1 72 72 LYS H H 72 8.414 8.414 7.489 0.925 19155 877 1 2 . 1 1 73 73 VAL N N 73 123.222 123.222 120.122 3.100 19155 878 1 2 . 1 1 73 73 VAL HA H 73 3.598 3.598 3.595 0.003 19155 879 1 2 . 1 1 73 73 VAL C C 73 176.929 176.929 177.172 -0.243 19155 880 1 2 . 1 1 73 73 VAL CA C 73 66.975 66.975 67.210 -0.235 19155 881 1 2 . 1 1 73 73 VAL CB C 73 31.704 31.704 31.885 -0.181 19155 882 1 2 . 1 1 73 73 VAL H H 73 8.421 8.421 8.132 0.289 19155 883 1 2 . 1 1 74 74 ASP N N 74 120.101 120.101 120.343 -0.242 19155 884 1 2 . 1 1 74 74 ASP HA H 74 4.393 4.393 4.354 0.039 19155 885 1 2 . 1 1 74 74 ASP C C 74 180.001 180.001 177.984 2.017 19155 886 1 2 . 1 1 74 74 ASP CA C 74 57.324 57.324 57.548 -0.224 19155 887 1 2 . 1 1 74 74 ASP CB C 74 39.326 39.326 40.691 -1.365 19155 888 1 2 . 1 1 74 74 ASP H H 74 8.674 8.674 8.379 0.295 19155 889 1 2 . 1 1 75 75 GLU N N 75 121.349 121.349 120.045 1.304 19155 890 1 2 . 1 1 75 75 GLU HA H 75 4.113 4.113 4.016 0.097 19155 891 1 2 . 1 1 75 75 GLU C C 75 178.732 178.732 178.637 0.095 19155 892 1 2 . 1 1 75 75 GLU CA C 75 59.083 59.083 59.525 -0.442 19155 893 1 2 . 1 1 75 75 GLU CB C 75 29.975 29.975 29.775 0.200 19155 894 1 2 . 1 1 75 75 GLU H H 75 8.475 8.475 8.240 0.235 19155 895 1 2 . 1 1 76 76 ALA N N 76 124.160 124.160 122.142 2.018 19155 896 1 2 . 1 1 76 76 ALA HA H 76 4.281 4.281 4.156 0.125 19155 897 1 2 . 1 1 76 76 ALA C C 76 179.906 179.906 179.851 0.055 19155 898 1 2 . 1 1 76 76 ALA CA C 76 55.530 55.530 55.339 0.191 19155 899 1 2 . 1 1 76 76 ALA CB C 76 17.424 17.424 18.617 -1.193 19155 900 1 2 . 1 1 76 76 ALA H H 76 7.944 7.944 7.965 -0.021 19155 901 1 2 . 1 1 77 77 VAL N N 77 117.439 117.439 119.039 -1.600 19155 902 1 2 . 1 1 77 77 VAL HA H 77 3.644 3.644 3.580 0.064 19155 903 1 2 . 1 1 77 77 VAL C C 77 178.784 178.784 178.075 0.709 19155 904 1 2 . 1 1 77 77 VAL CA C 77 66.958 66.958 67.049 -0.091 19155 905 1 2 . 1 1 77 77 VAL CB C 77 31.807 31.807 31.573 0.234 19155 906 1 2 . 1 1 77 77 VAL H H 77 8.204 8.204 8.575 -0.371 19155 907 1 2 . 1 1 78 78 SER N N 78 113.687 113.687 114.104 -0.417 19155 908 1 2 . 1 1 78 78 SER HA H 78 4.266 4.266 4.293 -0.027 19155 909 1 2 . 1 1 78 78 SER C C 78 176.762 176.762 175.810 0.952 19155 910 1 2 . 1 1 78 78 SER CA C 78 61.241 61.241 61.027 0.214 19155 911 1 2 . 1 1 78 78 SER CB C 78 62.678 62.678 62.949 -0.271 19155 912 1 2 . 1 1 78 78 SER H H 78 7.935 7.935 8.101 -0.166 19155 913 1 2 . 1 1 79 79 LYS N N 79 121.029 121.029 121.871 -0.842 19155 914 1 2 . 1 1 79 79 LYS HA H 79 4.070 4.070 4.103 -0.033 19155 915 1 2 . 1 1 79 79 LYS C C 79 178.135 178.135 179.029 -0.894 19155 916 1 2 . 1 1 79 79 LYS CA C 79 58.723 58.723 59.316 -0.593 19155 917 1 2 . 1 1 79 79 LYS CB C 79 32.489 32.489 32.733 -0.244 19155 918 1 2 . 1 1 79 79 LYS H H 79 7.989 7.989 7.976 0.013 19155 919 1 2 . 1 1 80 80 PHE N N 80 117.437 117.437 119.163 -1.726 19155 920 1 2 . 1 1 80 80 PHE HA H 80 4.490 4.490 4.373 0.117 19155 921 1 2 . 1 1 80 80 PHE C C 80 176.236 176.236 177.642 -1.406 19155 922 1 2 . 1 1 80 80 PHE CA C 80 59.444 59.444 60.764 -1.320 19155 923 1 2 . 1 1 80 80 PHE CB C 80 40.032 40.032 39.262 0.770 19155 924 1 2 . 1 1 80 80 PHE H H 80 7.838 7.838 8.328 -0.490 19155 925 1 2 . 1 1 81 81 GLU N N 81 120.092 120.092 117.014 3.078 19155 926 1 2 . 1 1 81 81 GLU HA H 81 4.290 4.290 4.176 0.114 19155 927 1 2 . 1 1 81 81 GLU C C 81 175.715 175.715 177.347 -1.632 19155 928 1 2 . 1 1 81 81 GLU CA C 81 56.928 56.928 57.847 -0.919 19155 929 1 2 . 1 1 81 81 GLU CB C 81 29.997 29.997 29.627 0.371 19155 930 1 2 . 1 1 81 81 GLU H H 81 7.864 7.864 8.460 -0.596 19155 931 1 3 . 1 1 2 2 ASP N N 2 119.961 119.961 120.023 -0.062 19155 932 1 3 . 1 1 2 2 ASP HA H 2 4.440 4.440 4.357 0.083 19155 933 1 3 . 1 1 2 2 ASP C C 2 178.594 178.594 177.653 0.941 19155 934 1 3 . 1 1 2 2 ASP CA C 2 57.997 57.997 57.084 0.913 19155 935 1 3 . 1 1 2 2 ASP CB C 2 40.098 40.098 40.180 -0.082 19155 936 1 3 . 1 1 2 2 ASP H H 2 8.260 8.260 8.866 -0.606 19155 937 1 3 . 1 1 3 3 SER N N 3 115.401 115.401 113.945 1.456 19155 938 1 3 . 1 1 3 3 SER HA H 3 4.358 4.358 4.285 0.073 19155 939 1 3 . 1 1 3 3 SER C C 3 177.657 177.657 176.595 1.062 19155 940 1 3 . 1 1 3 3 SER CA C 3 60.656 60.656 60.093 0.563 19155 941 1 3 . 1 1 3 3 SER CB C 3 62.319 62.319 63.080 -0.760 19155 942 1 3 . 1 1 3 3 SER H H 3 8.112 8.112 8.056 0.056 19155 943 1 3 . 1 1 4 4 GLU N N 4 122.287 122.287 123.433 -1.146 19155 944 1 3 . 1 1 4 4 GLU HA H 4 4.045 4.045 4.002 0.043 19155 945 1 3 . 1 1 4 4 GLU C C 4 180.035 180.035 178.444 1.591 19155 946 1 3 . 1 1 4 4 GLU CA C 4 59.072 59.072 59.657 -0.585 19155 947 1 3 . 1 1 4 4 GLU CB C 4 28.538 28.538 29.452 -0.914 19155 948 1 3 . 1 1 4 4 GLU H H 4 8.472 8.472 8.567 -0.095 19155 949 1 3 . 1 1 5 5 ARG N N 5 121.026 121.026 116.891 4.135 19155 950 1 3 . 1 1 5 5 ARG HA H 5 3.894 3.894 4.155 -0.261 19155 951 1 3 . 1 1 5 5 ARG C C 5 178.298 178.298 178.324 -0.026 19155 952 1 3 . 1 1 5 5 ARG CA C 5 60.564 60.564 59.150 1.414 19155 953 1 3 . 1 1 5 5 ARG CB C 5 30.681 30.681 29.535 1.145 19155 954 1 3 . 1 1 5 5 ARG H H 5 8.771 8.771 8.344 0.427 19155 955 1 3 . 1 1 6 6 ASP N N 6 119.775 119.775 119.951 -0.176 19155 956 1 3 . 1 1 6 6 ASP HA H 6 4.455 4.455 4.533 -0.078 19155 957 1 3 . 1 1 6 6 ASP C C 6 178.676 178.676 177.988 0.688 19155 958 1 3 . 1 1 6 6 ASP CA C 6 57.956 57.956 57.683 0.273 19155 959 1 3 . 1 1 6 6 ASP CB C 6 40.774 40.774 41.173 -0.399 19155 960 1 3 . 1 1 6 6 ASP H H 6 7.889 7.889 7.829 0.060 19155 961 1 3 . 1 1 7 7 LYS N N 7 119.937 119.937 119.590 0.347 19155 962 1 3 . 1 1 7 7 LYS HA H 7 4.014 4.014 4.074 -0.060 19155 963 1 3 . 1 1 7 7 LYS C C 7 178.977 178.977 178.447 0.530 19155 964 1 3 . 1 1 7 7 LYS CA C 7 59.793 59.793 59.236 0.557 19155 965 1 3 . 1 1 7 7 LYS CB C 7 32.850 32.850 32.133 0.717 19155 966 1 3 . 1 1 7 7 LYS H H 7 7.950 7.950 7.952 -0.002 19155 967 1 3 . 1 1 8 8 ALA N N 8 122.436 122.436 123.151 -0.715 19155 968 1 3 . 1 1 8 8 ALA HA H 8 4.478 4.478 4.082 0.396 19155 969 1 3 . 1 1 8 8 ALA C C 8 178.764 178.764 179.335 -0.571 19155 970 1 3 . 1 1 8 8 ALA CA C 8 55.168 55.168 55.137 0.031 19155 971 1 3 . 1 1 8 8 ALA CB C 8 19.502 19.502 18.514 0.988 19155 972 1 3 . 1 1 8 8 ALA H H 8 7.976 7.976 8.501 -0.525 19155 973 1 3 . 1 1 9 9 ARG N N 9 118.059 118.059 116.668 1.391 19155 974 1 3 . 1 1 9 9 ARG HA H 9 3.801 3.801 3.991 -0.190 19155 975 1 3 . 1 1 9 9 ARG C C 9 177.874 177.874 178.170 -0.296 19155 976 1 3 . 1 1 9 9 ARG CA C 9 59.794 59.794 59.092 0.702 19155 977 1 3 . 1 1 9 9 ARG CB C 9 29.989 29.989 29.685 0.304 19155 978 1 3 . 1 1 9 9 ARG H H 9 8.489 8.489 7.937 0.552 19155 979 1 3 . 1 1 10 10 LYS N N 10 118.064 118.064 120.314 -2.250 19155 980 1 3 . 1 1 10 10 LYS HA H 10 4.138 4.138 4.110 0.028 19155 981 1 3 . 1 1 10 10 LYS C C 10 178.619 178.619 178.881 -0.262 19155 982 1 3 . 1 1 10 10 LYS CA C 10 59.421 59.421 58.771 0.650 19155 983 1 3 . 1 1 10 10 LYS CB C 10 32.467 32.467 31.938 0.529 19155 984 1 3 . 1 1 10 10 LYS H H 10 7.833 7.833 7.542 0.291 19155 985 1 3 . 1 1 11 11 GLU N N 11 118.845 118.845 119.587 -0.742 19155 986 1 3 . 1 1 11 11 GLU HA H 11 4.107 4.107 4.139 -0.032 19155 987 1 3 . 1 1 11 11 GLU C C 11 180.137 180.137 179.048 1.089 19155 988 1 3 . 1 1 11 11 GLU CA C 11 59.803 59.803 59.361 0.442 19155 989 1 3 . 1 1 11 11 GLU CB C 11 29.248 29.248 29.482 -0.234 19155 990 1 3 . 1 1 11 11 GLU H H 11 7.991 7.991 8.255 -0.264 19155 991 1 3 . 1 1 12 12 VAL N N 12 120.562 120.562 115.755 4.807 19155 992 1 3 . 1 1 12 12 VAL HA H 12 3.851 3.851 3.766 0.085 19155 993 1 3 . 1 1 12 12 VAL C C 12 178.182 178.182 177.844 0.338 19155 994 1 3 . 1 1 12 12 VAL CA C 12 66.625 66.625 66.184 0.441 19155 995 1 3 . 1 1 12 12 VAL CB C 12 31.784 31.784 31.532 0.252 19155 996 1 3 . 1 1 12 12 VAL H H 12 8.173 8.173 7.816 0.357 19155 997 1 3 . 1 1 13 13 GLU N N 13 117.912 117.912 121.379 -3.467 19155 998 1 3 . 1 1 13 13 GLU HA H 13 3.841 3.841 3.932 -0.091 19155 999 1 3 . 1 1 13 13 GLU C C 13 179.959 179.959 179.108 0.851 19155 1000 1 3 . 1 1 13 13 GLU CA C 13 60.498 60.498 60.341 0.157 19155 1001 1 3 . 1 1 13 13 GLU CB C 13 30.014 30.014 29.389 0.625 19155 1002 1 3 . 1 1 13 13 GLU H H 13 8.624 8.624 8.241 0.383 19155 1003 1 3 . 1 1 14 14 GLU N N 14 117.909 117.909 119.855 -1.946 19155 1004 1 3 . 1 1 14 14 GLU HA H 14 4.025 4.025 4.054 -0.029 19155 1005 1 3 . 1 1 14 14 GLU C C 14 179.020 179.020 179.115 -0.095 19155 1006 1 3 . 1 1 14 14 GLU CA C 14 59.442 59.442 59.358 0.084 19155 1007 1 3 . 1 1 14 14 GLU CB C 14 29.257 29.257 29.732 -0.475 19155 1008 1 3 . 1 1 14 14 GLU H H 14 8.904 8.904 8.337 0.567 19155 1009 1 3 . 1 1 15 15 TYR N N 15 122.592 122.592 121.047 1.545 19155 1010 1 3 . 1 1 15 15 TYR HA H 15 4.359 4.359 4.130 0.229 19155 1011 1 3 . 1 1 15 15 TYR C C 15 177.581 177.581 177.707 -0.126 19155 1012 1 3 . 1 1 15 15 TYR CA C 15 62.430 62.430 62.155 0.275 19155 1013 1 3 . 1 1 15 15 TYR CB C 15 38.541 38.541 38.666 -0.125 19155 1014 1 3 . 1 1 15 15 TYR H H 15 8.170 8.170 8.466 -0.296 19155 1015 1 3 . 1 1 16 16 VAL N N 16 116.497 116.497 118.678 -2.181 19155 1016 1 3 . 1 1 16 16 VAL HA H 16 3.386 3.386 3.409 -0.023 19155 1017 1 3 . 1 1 16 16 VAL C C 16 177.221 177.221 177.523 -0.302 19155 1018 1 3 . 1 1 16 16 VAL CA C 16 68.053 68.053 67.009 1.044 19155 1019 1 3 . 1 1 16 16 VAL CB C 16 31.427 31.427 31.870 -0.443 19155 1020 1 3 . 1 1 16 16 VAL H H 16 7.953 7.953 8.321 -0.368 19155 1021 1 3 . 1 1 17 17 LYS N N 17 118.530 118.530 118.883 -0.353 19155 1022 1 3 . 1 1 17 17 LYS HA H 17 3.922 3.922 3.958 -0.036 19155 1023 1 3 . 1 1 17 17 LYS C C 17 179.742 179.742 178.544 1.198 19155 1024 1 3 . 1 1 17 17 LYS CA C 17 60.145 60.145 59.612 0.533 19155 1025 1 3 . 1 1 17 17 LYS CB C 17 32.827 32.827 31.842 0.985 19155 1026 1 3 . 1 1 17 17 LYS H H 17 8.274 8.274 8.486 -0.212 19155 1027 1 3 . 1 1 18 18 LYS N N 18 121.031 121.031 120.573 0.458 19155 1028 1 3 . 1 1 18 18 LYS HA H 18 4.018 4.018 4.040 -0.022 19155 1029 1 3 . 1 1 18 18 LYS C C 18 178.962 178.962 178.564 0.398 19155 1030 1 3 . 1 1 18 18 LYS CA C 18 59.085 59.085 59.514 -0.429 19155 1031 1 3 . 1 1 18 18 LYS CB C 18 32.132 32.132 32.451 -0.319 19155 1032 1 3 . 1 1 18 18 LYS H H 18 7.946 7.946 7.832 0.114 19155 1033 1 3 . 1 1 19 19 ILE N N 19 120.718 120.718 119.757 0.961 19155 1034 1 3 . 1 1 19 19 ILE HA H 19 3.727 3.727 3.687 0.040 19155 1035 1 3 . 1 1 19 19 ILE C C 19 172.120 172.120 178.242 -6.122 19155 1036 1 3 . 1 1 19 19 ILE CA C 19 62.128 62.128 64.064 -1.936 19155 1037 1 3 . 1 1 19 19 ILE CB C 19 35.988 35.988 37.067 -1.079 19155 1038 1 3 . 1 1 19 19 ILE H H 19 7.796 7.796 7.777 0.019 19155 1039 1 3 . 1 1 20 20 VAL N N 20 124.792 124.792 120.988 3.804 19155 1040 1 3 . 1 1 20 20 VAL HA H 20 3.312 3.312 3.489 -0.177 19155 1041 1 3 . 1 1 20 20 VAL C C 20 177.873 177.873 178.237 -0.364 19155 1042 1 3 . 1 1 20 20 VAL CA C 20 67.738 67.738 66.975 0.763 19155 1043 1 3 . 1 1 20 20 VAL CB C 20 31.772 31.772 31.409 0.363 19155 1044 1 3 . 1 1 20 20 VAL H H 20 9.190 9.190 8.711 0.479 19155 1045 1 3 . 1 1 21 21 GLY N N 21 106.034 106.034 107.041 -1.007 19155 1046 1 3 . 1 1 21 21 GLY C C 21 177.470 177.470 176.134 1.336 19155 1047 1 3 . 1 1 21 21 GLY CA C 21 47.226 47.226 47.211 0.015 19155 1048 1 3 . 1 1 21 21 GLY H H 21 8.117 8.117 8.101 0.016 19155 1049 1 3 . 1 1 22 22 GLU N N 22 122.282 122.282 121.364 0.918 19155 1050 1 3 . 1 1 22 22 GLU HA H 22 4.104 4.104 3.998 0.106 19155 1051 1 3 . 1 1 22 22 GLU C C 22 178.827 178.827 178.828 -0.001 19155 1052 1 3 . 1 1 22 22 GLU CA C 22 59.016 59.016 58.996 0.020 19155 1053 1 3 . 1 1 22 22 GLU CB C 22 29.619 29.619 29.033 0.586 19155 1054 1 3 . 1 1 22 22 GLU H H 22 8.197 8.197 8.435 -0.238 19155 1055 1 3 . 1 1 23 23 SER N N 23 116.812 116.812 116.062 0.750 19155 1056 1 3 . 1 1 23 23 SER HA H 23 4.201 4.201 4.001 0.200 19155 1057 1 3 . 1 1 23 23 SER C C 23 177.084 177.084 176.414 0.670 19155 1058 1 3 . 1 1 23 23 SER CA C 23 61.998 61.998 61.637 0.361 19155 1059 1 3 . 1 1 23 23 SER CB C 23 62.105 62.105 62.818 -0.713 19155 1060 1 3 . 1 1 23 23 SER H H 23 8.285 8.285 8.356 -0.071 19155 1061 1 3 . 1 1 24 24 TYR N N 24 120.879 120.879 121.362 -0.483 19155 1062 1 3 . 1 1 24 24 TYR HA H 24 4.396 4.396 4.524 -0.128 19155 1063 1 3 . 1 1 24 24 TYR C C 24 178.846 178.846 178.604 0.242 19155 1064 1 3 . 1 1 24 24 TYR CA C 24 61.189 61.189 60.710 0.479 19155 1065 1 3 . 1 1 24 24 TYR CB C 24 37.866 37.866 38.217 -0.351 19155 1066 1 3 . 1 1 24 24 TYR H H 24 8.254 8.254 7.588 0.666 19155 1067 1 3 . 1 1 25 25 ALA N N 25 122.124 122.124 120.406 1.718 19155 1068 1 3 . 1 1 25 25 ALA HA H 25 4.251 4.251 4.177 0.074 19155 1069 1 3 . 1 1 25 25 ALA C C 25 178.999 178.999 177.824 1.175 19155 1070 1 3 . 1 1 25 25 ALA CA C 25 54.608 54.608 54.352 0.256 19155 1071 1 3 . 1 1 25 25 ALA CB C 25 18.108 18.108 18.566 -0.458 19155 1072 1 3 . 1 1 25 25 ALA H H 25 8.018 8.018 8.349 -0.331 19155 1073 1 3 . 1 1 26 26 LYS N N 26 115.251 115.251 117.171 -1.920 19155 1074 1 3 . 1 1 26 26 LYS HA H 26 4.459 4.459 4.451 0.008 19155 1075 1 3 . 1 1 26 26 LYS C C 26 176.598 176.598 175.991 0.607 19155 1076 1 3 . 1 1 26 26 LYS CA C 26 56.209 56.209 55.875 0.334 19155 1077 1 3 . 1 1 26 26 LYS CB C 26 33.191 33.191 33.242 -0.051 19155 1078 1 3 . 1 1 26 26 LYS H H 26 7.533 7.533 8.110 -0.577 19155 1079 1 3 . 1 1 27 27 SER N N 27 115.400 115.400 116.041 -0.641 19155 1080 1 3 . 1 1 27 27 SER HA H 27 4.332 4.332 4.800 -0.468 19155 1081 1 3 . 1 1 27 27 SER C C 27 174.768 174.768 173.402 1.366 19155 1082 1 3 . 1 1 27 27 SER CA C 27 58.808 58.808 57.343 1.465 19155 1083 1 3 . 1 1 27 27 SER CB C 27 63.397 63.397 66.019 -2.622 19155 1084 1 3 . 1 1 27 27 SER H H 27 7.570 7.570 7.694 -0.124 19155 1085 1 3 . 1 1 28 28 THR N N 28 114.468 114.468 110.810 3.658 19155 1086 1 3 . 1 1 28 28 THR HA H 28 4.649 4.649 4.830 -0.181 19155 1087 1 3 . 1 1 28 28 THR CA C 28 60.242 60.242 60.326 -0.084 19155 1088 1 3 . 1 1 28 28 THR CB C 28 71.544 71.544 71.636 -0.092 19155 1089 1 3 . 1 1 28 28 THR H H 28 7.725 7.725 8.277 -0.552 19155 1090 1 3 . 1 1 29 29 LYS HA H 29 4.300 4.300 3.984 0.316 19155 1091 1 3 . 1 1 29 29 LYS CA C 29 57.974 57.974 59.826 -1.852 19155 1092 1 3 . 1 1 29 29 LYS CB C 29 32.820 32.820 32.187 0.633 19155 1093 1 3 . 1 1 30 30 LYS HA H 30 4.154 4.154 4.131 0.023 19155 1094 1 3 . 1 1 30 30 LYS CA C 30 58.725 58.725 58.425 0.300 19155 1095 1 3 . 1 1 31 31 ARG HA H 31 4.533 4.533 4.624 -0.091 19155 1096 1 3 . 1 1 31 31 ARG CA C 31 56.137 56.137 53.833 2.304 19155 1097 1 3 . 1 1 31 31 ARG CB C 31 31.003 31.003 29.270 1.733 19155 1098 1 3 . 1 1 32 32 HIS HA H 32 4.570 4.570 4.361 0.209 19155 1099 1 3 . 1 1 32 32 HIS C C 32 176.136 176.136 176.616 -0.480 19155 1100 1 3 . 1 1 32 32 HIS CA C 32 58.689 58.689 59.354 -0.665 19155 1101 1 3 . 1 1 32 32 HIS CB C 32 30.731 30.731 29.541 1.190 19155 1102 1 3 . 1 1 33 33 THR N N 33 111.162 111.162 115.374 -4.212 19155 1103 1 3 . 1 1 33 33 THR HA H 33 3.976 3.976 4.095 -0.119 19155 1104 1 3 . 1 1 33 33 THR C C 33 176.807 176.807 176.459 0.348 19155 1105 1 3 . 1 1 33 33 THR CA C 33 65.194 65.194 66.853 -1.659 19155 1106 1 3 . 1 1 33 33 THR CB C 33 68.428 68.428 68.614 -0.186 19155 1107 1 3 . 1 1 33 33 THR H H 33 8.355 8.355 8.431 -0.076 19155 1108 1 3 . 1 1 34 34 ILE N N 34 123.220 123.220 121.614 1.606 19155 1109 1 3 . 1 1 34 34 ILE HA H 34 4.047 4.047 3.842 0.205 19155 1110 1 3 . 1 1 34 34 ILE C C 34 176.944 176.944 177.689 -0.745 19155 1111 1 3 . 1 1 34 34 ILE CA C 34 63.746 63.746 65.250 -1.504 19155 1112 1 3 . 1 1 34 34 ILE CB C 34 37.905 37.905 37.564 0.341 19155 1113 1 3 . 1 1 34 34 ILE H H 34 7.824 7.824 8.373 -0.549 19155 1114 1 3 . 1 1 35 35 THR N N 35 118.694 118.694 118.008 0.686 19155 1115 1 3 . 1 1 35 35 THR HA H 35 4.103 4.103 3.911 0.192 19155 1116 1 3 . 1 1 35 35 THR C C 35 175.385 175.385 176.801 -1.416 19155 1117 1 3 . 1 1 35 35 THR CA C 35 63.339 63.339 66.140 -2.801 19155 1118 1 3 . 1 1 35 35 THR CB C 35 68.428 68.428 68.174 0.254 19155 1119 1 3 . 1 1 35 35 THR H H 35 8.053 8.053 7.639 0.414 19155 1120 1 3 . 1 1 36 36 VAL N N 36 120.252 120.252 122.195 -1.943 19155 1121 1 3 . 1 1 36 36 VAL HA H 36 3.494 3.494 3.788 -0.294 19155 1122 1 3 . 1 1 36 36 VAL C C 36 177.667 177.667 178.151 -0.484 19155 1123 1 3 . 1 1 36 36 VAL CA C 36 66.312 66.312 66.381 -0.069 19155 1124 1 3 . 1 1 36 36 VAL CB C 36 31.787 31.787 30.816 0.972 19155 1125 1 3 . 1 1 36 36 VAL H H 36 8.148 8.148 8.547 -0.399 19155 1126 1 3 . 1 1 37 37 ALA N N 37 121.815 121.815 123.439 -1.624 19155 1127 1 3 . 1 1 37 37 ALA HA H 37 4.168 4.168 4.113 0.055 19155 1128 1 3 . 1 1 37 37 ALA C C 37 180.404 180.404 179.754 0.650 19155 1129 1 3 . 1 1 37 37 ALA CA C 37 55.062 55.062 55.513 -0.451 19155 1130 1 3 . 1 1 37 37 ALA CB C 37 18.114 18.114 18.409 -0.295 19155 1131 1 3 . 1 1 37 37 ALA H H 37 7.526 7.526 8.182 -0.656 19155 1132 1 3 . 1 1 38 38 LEU N N 38 122.124 122.124 119.295 2.829 19155 1133 1 3 . 1 1 38 38 LEU HA H 38 3.574 3.574 3.417 0.157 19155 1134 1 3 . 1 1 38 38 LEU C C 38 177.815 177.815 178.637 -0.822 19155 1135 1 3 . 1 1 38 38 LEU CA C 38 57.671 57.671 57.277 0.394 19155 1136 1 3 . 1 1 38 38 LEU CB C 38 40.383 40.383 41.496 -1.113 19155 1137 1 3 . 1 1 38 38 LEU H H 38 7.987 7.987 8.153 -0.166 19155 1138 1 3 . 1 1 39 39 VAL N N 39 119.627 119.627 119.689 -0.062 19155 1139 1 3 . 1 1 39 39 VAL HA H 39 3.295 3.295 3.506 -0.211 19155 1140 1 3 . 1 1 39 39 VAL C C 39 178.084 178.084 177.978 0.106 19155 1141 1 3 . 1 1 39 39 VAL CA C 39 67.710 67.710 67.145 0.565 19155 1142 1 3 . 1 1 39 39 VAL CB C 39 31.393 31.393 31.412 -0.019 19155 1143 1 3 . 1 1 39 39 VAL H H 39 8.410 8.410 8.494 -0.084 19155 1144 1 3 . 1 1 40 40 ASN N N 40 117.904 117.904 118.197 -0.293 19155 1145 1 3 . 1 1 40 40 ASN HA H 40 4.528 4.528 4.472 0.056 19155 1146 1 3 . 1 1 40 40 ASN C C 40 177.814 177.814 177.970 -0.156 19155 1147 1 3 . 1 1 40 40 ASN CA C 40 56.214 56.214 56.054 0.160 19155 1148 1 3 . 1 1 40 40 ASN CB C 40 37.990 37.990 38.172 -0.182 19155 1149 1 3 . 1 1 40 40 ASN H H 40 8.211 8.211 8.545 -0.334 19155 1150 1 3 . 1 1 41 41 GLU N N 41 122.117 122.117 121.516 0.601 19155 1151 1 3 . 1 1 41 41 GLU HA H 41 4.330 4.330 4.193 0.137 19155 1152 1 3 . 1 1 41 41 GLU C C 41 179.186 179.186 178.661 0.525 19155 1153 1 3 . 1 1 41 41 GLU CA C 41 59.444 59.444 58.654 0.790 19155 1154 1 3 . 1 1 41 41 GLU CB C 41 28.935 28.935 29.449 -0.514 19155 1155 1 3 . 1 1 41 41 GLU H H 41 7.895 7.895 7.882 0.013 19155 1156 1 3 . 1 1 42 42 LEU N N 42 118.997 118.997 119.781 -0.784 19155 1157 1 3 . 1 1 42 42 LEU HA H 42 4.036 4.036 3.757 0.279 19155 1158 1 3 . 1 1 42 42 LEU C C 42 179.072 179.072 178.603 0.469 19155 1159 1 3 . 1 1 42 42 LEU CA C 42 58.028 58.028 58.664 -0.636 19155 1160 1 3 . 1 1 42 42 LEU CB C 42 41.053 41.053 41.666 -0.613 19155 1161 1 3 . 1 1 42 42 LEU H H 42 8.915 8.915 8.577 0.338 19155 1162 1 3 . 1 1 43 43 ASN N N 43 117.439 117.439 116.279 1.160 19155 1163 1 3 . 1 1 43 43 ASN HA H 43 4.560 4.560 4.527 0.033 19155 1164 1 3 . 1 1 43 43 ASN C C 43 177.692 177.692 177.302 0.390 19155 1165 1 3 . 1 1 43 43 ASN CA C 43 56.224 56.224 56.054 0.170 19155 1166 1 3 . 1 1 43 43 ASN CB C 43 38.241 38.241 38.126 0.115 19155 1167 1 3 . 1 1 43 43 ASN H H 43 8.436 8.436 8.045 0.391 19155 1168 1 3 . 1 1 44 44 ASN N N 44 121.188 121.188 120.866 0.322 19155 1169 1 3 . 1 1 44 44 ASN HA H 44 4.647 4.647 4.597 0.050 19155 1170 1 3 . 1 1 44 44 ASN C C 44 178.704 178.704 177.377 1.327 19155 1171 1 3 . 1 1 44 44 ASN CA C 44 56.233 56.233 55.877 0.356 19155 1172 1 3 . 1 1 44 44 ASN CB C 44 37.466 37.466 38.422 -0.956 19155 1173 1 3 . 1 1 44 44 ASN H H 44 8.079 8.079 7.780 0.299 19155 1174 1 3 . 1 1 45 45 ILE N N 45 124.315 124.315 120.928 3.387 19155 1175 1 3 . 1 1 45 45 ILE HA H 45 3.985 3.985 3.718 0.267 19155 1176 1 3 . 1 1 45 45 ILE C C 45 177.925 177.925 177.805 0.120 19155 1177 1 3 . 1 1 45 45 ILE CA C 45 65.578 65.578 65.565 0.013 19155 1178 1 3 . 1 1 45 45 ILE CB C 45 38.903 38.903 37.660 1.243 19155 1179 1 3 . 1 1 45 45 ILE H H 45 8.533 8.533 8.407 0.126 19155 1180 1 3 . 1 1 46 46 LYS N N 46 119.624 119.624 120.108 -0.484 19155 1181 1 3 . 1 1 46 46 LYS HA H 46 3.743 3.743 3.917 -0.174 19155 1182 1 3 . 1 1 46 46 LYS C C 46 177.699 177.699 178.627 -0.928 19155 1183 1 3 . 1 1 46 46 LYS CA C 46 60.161 60.161 60.435 -0.274 19155 1184 1 3 . 1 1 46 46 LYS CB C 46 31.420 31.420 32.309 -0.889 19155 1185 1 3 . 1 1 46 46 LYS H H 46 8.660 8.660 8.307 0.353 19155 1186 1 3 . 1 1 47 47 ASN N N 47 116.034 116.034 117.853 -1.819 19155 1187 1 3 . 1 1 47 47 ASN HA H 47 4.468 4.468 4.373 0.095 19155 1188 1 3 . 1 1 47 47 ASN C C 47 177.768 177.768 177.366 0.402 19155 1189 1 3 . 1 1 47 47 ASN CA C 47 56.538 56.538 56.727 -0.189 19155 1190 1 3 . 1 1 47 47 ASN CB C 47 37.882 37.882 38.417 -0.535 19155 1191 1 3 . 1 1 47 47 ASN H H 47 8.344 8.344 8.301 0.043 19155 1192 1 3 . 1 1 48 48 GLU N N 48 121.665 121.665 120.204 1.461 19155 1193 1 3 . 1 1 48 48 GLU HA H 48 4.044 4.044 3.981 0.063 19155 1194 1 3 . 1 1 48 48 GLU C C 48 179.915 179.915 179.097 0.818 19155 1195 1 3 . 1 1 48 48 GLU CA C 48 59.444 59.444 59.380 0.064 19155 1196 1 3 . 1 1 48 48 GLU CB C 48 29.230 29.230 29.844 -0.614 19155 1197 1 3 . 1 1 48 48 GLU H H 48 8.301 8.301 8.475 -0.174 19155 1198 1 3 . 1 1 49 49 TYR N N 49 117.600 117.600 118.658 -1.058 19155 1199 1 3 . 1 1 49 49 TYR HA H 49 3.992 3.992 4.412 -0.420 19155 1200 1 3 . 1 1 49 49 TYR C C 49 178.275 178.275 178.142 0.133 19155 1201 1 3 . 1 1 49 49 TYR CA C 49 64.508 64.508 61.140 3.368 19155 1202 1 3 . 1 1 49 49 TYR CB C 49 37.881 37.881 38.735 -0.854 19155 1203 1 3 . 1 1 49 49 TYR H H 49 8.581 8.581 8.351 0.230 19155 1204 1 3 . 1 1 50 50 LEU N N 50 122.126 122.126 121.624 0.502 19155 1205 1 3 . 1 1 50 50 LEU HA H 50 4.181 4.181 3.793 0.388 19155 1206 1 3 . 1 1 50 50 LEU C C 50 180.089 180.089 178.612 1.477 19155 1207 1 3 . 1 1 50 50 LEU CA C 50 59.061 59.061 58.752 0.309 19155 1208 1 3 . 1 1 50 50 LEU CB C 50 40.096 40.096 41.568 -1.472 19155 1209 1 3 . 1 1 50 50 LEU H H 50 9.207 9.207 8.857 0.350 19155 1210 1 3 . 1 1 51 51 ASN N N 51 117.124 117.124 117.226 -0.102 19155 1211 1 3 . 1 1 51 51 ASN HA H 51 4.535 4.535 4.358 0.177 19155 1212 1 3 . 1 1 51 51 ASN C C 51 177.522 177.522 177.452 0.070 19155 1213 1 3 . 1 1 51 51 ASN CA C 51 56.240 56.240 56.565 -0.325 19155 1214 1 3 . 1 1 51 51 ASN CB C 51 37.898 37.898 38.396 -0.498 19155 1215 1 3 . 1 1 51 51 ASN H H 51 7.634 7.634 8.307 -0.673 19155 1216 1 3 . 1 1 52 52 LYS N N 52 119.154 119.154 117.826 1.328 19155 1217 1 3 . 1 1 52 52 LYS HA H 52 4.037 4.037 4.031 0.006 19155 1218 1 3 . 1 1 52 52 LYS C C 52 179.905 179.905 177.743 2.162 19155 1219 1 3 . 1 1 52 52 LYS CA C 52 59.803 59.803 59.199 0.604 19155 1220 1 3 . 1 1 52 52 LYS CB C 52 33.215 33.215 32.367 0.848 19155 1221 1 3 . 1 1 52 52 LYS H H 52 7.663 7.663 7.470 0.193 19155 1222 1 3 . 1 1 53 53 ILE N N 53 121.662 121.662 116.893 4.769 19155 1223 1 3 . 1 1 53 53 ILE HA H 53 3.532 3.532 3.976 -0.444 19155 1224 1 3 . 1 1 53 53 ILE C C 53 178.489 178.489 177.716 0.773 19155 1225 1 3 . 1 1 53 53 ILE CA C 53 65.906 65.906 63.689 2.217 19155 1226 1 3 . 1 1 53 53 ILE CB C 53 38.249 38.249 38.661 -0.412 19155 1227 1 3 . 1 1 53 53 ILE H H 53 8.493 8.493 7.792 0.701 19155 1228 1 3 . 1 1 54 54 VAL N N 54 119.477 119.477 120.215 -0.738 19155 1229 1 3 . 1 1 54 54 VAL HA H 54 3.647 3.647 3.874 -0.227 19155 1230 1 3 . 1 1 54 54 VAL C C 54 176.683 176.683 176.963 -0.280 19155 1231 1 3 . 1 1 54 54 VAL CA C 54 66.643 66.643 64.864 1.779 19155 1232 1 3 . 1 1 54 54 VAL CB C 54 31.448 31.448 32.149 -0.701 19155 1233 1 3 . 1 1 54 54 VAL H H 54 7.598 7.598 8.234 -0.636 19155 1234 1 3 . 1 1 55 55 GLU N N 55 114.467 114.467 118.217 -3.750 19155 1235 1 3 . 1 1 55 55 GLU HA H 55 4.281 4.281 4.442 -0.161 19155 1236 1 3 . 1 1 55 55 GLU C C 55 176.914 176.914 175.434 1.480 19155 1237 1 3 . 1 1 55 55 GLU CA C 55 56.195 56.195 54.663 1.532 19155 1238 1 3 . 1 1 55 55 GLU CB C 55 30.354 30.354 29.012 1.342 19155 1239 1 3 . 1 1 55 55 GLU H H 55 7.064 7.064 7.792 -0.728 19155 1240 1 3 . 1 1 56 56 SER N N 56 116.806 116.806 114.876 1.930 19155 1241 1 3 . 1 1 56 56 SER HA H 56 4.435 4.435 4.399 0.036 19155 1242 1 3 . 1 1 56 56 SER C C 56 175.566 175.566 175.132 0.434 19155 1243 1 3 . 1 1 56 56 SER CA C 56 60.163 60.163 59.169 0.994 19155 1244 1 3 . 1 1 56 56 SER CB C 56 64.439 64.439 63.346 1.093 19155 1245 1 3 . 1 1 56 56 SER H H 56 7.504 7.504 7.771 -0.267 19155 1246 1 3 . 1 1 57 57 THR N N 57 111.347 111.347 120.918 -9.571 19155 1247 1 3 . 1 1 57 57 THR HA H 57 4.539 4.539 4.380 0.159 19155 1248 1 3 . 1 1 57 57 THR C C 57 174.424 174.424 174.494 -0.070 19155 1249 1 3 . 1 1 57 57 THR CA C 57 61.518 61.518 62.047 -0.529 19155 1250 1 3 . 1 1 57 57 THR CB C 57 70.377 70.377 68.912 1.465 19155 1251 1 3 . 1 1 57 57 THR H H 57 9.083 9.083 8.520 0.563 19155 1252 1 3 . 1 1 58 58 SER N N 58 115.415 115.415 116.793 -1.378 19155 1253 1 3 . 1 1 58 58 SER HA H 58 5.059 5.059 4.780 0.279 19155 1254 1 3 . 1 1 58 58 SER C C 58 174.278 174.278 174.275 0.003 19155 1255 1 3 . 1 1 58 58 SER CA C 58 56.928 56.928 56.996 -0.068 19155 1256 1 3 . 1 1 58 58 SER CB C 58 66.570 66.570 65.463 1.107 19155 1257 1 3 . 1 1 58 58 SER H H 58 7.689 7.689 7.686 0.003 19155 1258 1 3 . 1 1 59 59 GLU N N 59 124.305 124.305 127.600 -3.295 19155 1259 1 3 . 1 1 59 59 GLU HA H 59 3.990 3.990 4.101 -0.111 19155 1260 1 3 . 1 1 59 59 GLU C C 59 179.113 179.113 177.914 1.199 19155 1261 1 3 . 1 1 59 59 GLU CA C 59 60.159 60.159 59.267 0.892 19155 1262 1 3 . 1 1 59 59 GLU CB C 59 29.616 29.616 28.628 0.988 19155 1263 1 3 . 1 1 59 59 GLU H H 59 9.719 9.719 9.064 0.655 19155 1264 1 3 . 1 1 60 60 SER N N 60 115.406 115.406 115.625 -0.219 19155 1265 1 3 . 1 1 60 60 SER HA H 60 4.249 4.249 4.308 -0.059 19155 1266 1 3 . 1 1 60 60 SER C C 60 177.307 177.307 176.690 0.617 19155 1267 1 3 . 1 1 60 60 SER CA C 60 61.259 61.259 60.947 0.312 19155 1268 1 3 . 1 1 60 60 SER CB C 60 61.960 61.960 62.535 -0.575 19155 1269 1 3 . 1 1 60 60 SER H H 60 8.614 8.614 8.316 0.298 19155 1270 1 3 . 1 1 61 61 GLN N N 61 121.656 121.656 122.437 -0.781 19155 1271 1 3 . 1 1 61 61 GLN HA H 61 4.107 4.107 4.103 0.004 19155 1272 1 3 . 1 1 61 61 GLN C C 61 178.777 178.777 177.874 0.903 19155 1273 1 3 . 1 1 61 61 GLN CA C 61 58.743 58.743 58.641 0.102 19155 1274 1 3 . 1 1 61 61 GLN CB C 61 28.900 28.900 28.057 0.843 19155 1275 1 3 . 1 1 61 61 GLN H H 61 7.669 7.669 8.327 -0.658 19155 1276 1 3 . 1 1 62 62 LEU N N 62 118.689 118.689 117.889 0.800 19155 1277 1 3 . 1 1 62 62 LEU HA H 62 4.035 4.035 3.890 0.145 19155 1278 1 3 . 1 1 62 62 LEU C C 62 178.363 178.363 179.008 -0.645 19155 1279 1 3 . 1 1 62 62 LEU CA C 62 58.725 58.725 57.673 1.052 19155 1280 1 3 . 1 1 62 62 LEU CB C 62 41.836 41.836 41.563 0.273 19155 1281 1 3 . 1 1 62 62 LEU H H 62 7.736 7.736 7.973 -0.237 19155 1282 1 3 . 1 1 63 63 GLN N N 63 117.441 117.441 117.058 0.383 19155 1283 1 3 . 1 1 63 63 GLN HA H 63 4.078 4.078 4.074 0.004 19155 1284 1 3 . 1 1 63 63 GLN C C 63 179.312 179.312 178.407 0.905 19155 1285 1 3 . 1 1 63 63 GLN CA C 63 59.062 59.062 58.365 0.697 19155 1286 1 3 . 1 1 63 63 GLN CB C 63 27.819 27.819 28.864 -1.046 19155 1287 1 3 . 1 1 63 63 GLN H H 63 7.943 7.943 7.526 0.417 19155 1288 1 3 . 1 1 64 64 ILE N N 64 120.406 120.406 120.120 0.286 19155 1289 1 3 . 1 1 64 64 ILE HA H 64 3.809 3.809 3.917 -0.108 19155 1290 1 3 . 1 1 64 64 ILE C C 64 178.734 178.734 177.828 0.906 19155 1291 1 3 . 1 1 64 64 ILE CA C 64 64.722 64.722 61.522 3.200 19155 1292 1 3 . 1 1 64 64 ILE CB C 64 37.971 37.971 36.892 1.079 19155 1293 1 3 . 1 1 64 64 ILE H H 64 7.544 7.544 7.469 0.075 19155 1294 1 3 . 1 1 65 65 LEU N N 65 120.247 120.247 120.384 -0.137 19155 1295 1 3 . 1 1 65 65 LEU HA H 65 4.212 4.212 4.129 0.083 19155 1296 1 3 . 1 1 65 65 LEU C C 65 179.685 179.685 179.499 0.186 19155 1297 1 3 . 1 1 65 65 LEU CA C 65 58.004 58.004 57.966 0.038 19155 1298 1 3 . 1 1 65 65 LEU CB C 65 42.553 42.553 41.307 1.246 19155 1299 1 3 . 1 1 65 65 LEU H H 65 8.361 8.361 8.567 -0.206 19155 1300 1 3 . 1 1 66 66 MET N N 66 118.685 118.685 117.571 1.114 19155 1301 1 3 . 1 1 66 66 MET HA H 66 3.918 3.918 4.088 -0.170 19155 1302 1 3 . 1 1 66 66 MET C C 66 178.906 178.906 178.626 0.280 19155 1303 1 3 . 1 1 66 66 MET CA C 66 59.467 59.467 59.182 0.285 19155 1304 1 3 . 1 1 66 66 MET CB C 66 33.519 33.519 32.635 0.884 19155 1305 1 3 . 1 1 66 66 MET H H 66 8.458 8.458 7.460 0.998 19155 1306 1 3 . 1 1 67 67 MET N N 67 118.685 118.685 118.587 0.098 19155 1307 1 3 . 1 1 67 67 MET HA H 67 4.098 4.098 4.026 0.072 19155 1308 1 3 . 1 1 67 67 MET C C 67 178.781 178.781 178.399 0.382 19155 1309 1 3 . 1 1 67 67 MET CA C 67 58.379 58.379 58.983 -0.604 19155 1310 1 3 . 1 1 67 67 MET CB C 67 32.031 32.031 32.382 -0.351 19155 1311 1 3 . 1 1 67 67 MET H H 67 7.559 7.559 7.782 -0.223 19155 1312 1 3 . 1 1 68 68 GLU N N 68 122.128 122.128 120.250 1.878 19155 1313 1 3 . 1 1 68 68 GLU HA H 68 3.990 3.990 3.895 0.095 19155 1314 1 3 . 1 1 68 68 GLU C C 68 178.803 178.803 178.969 -0.166 19155 1315 1 3 . 1 1 68 68 GLU CA C 68 59.459 59.459 59.789 -0.330 19155 1316 1 3 . 1 1 68 68 GLU CB C 68 30.706 30.706 29.540 1.166 19155 1317 1 3 . 1 1 68 68 GLU H H 68 8.895 8.895 8.591 0.304 19155 1318 1 3 . 1 1 69 69 SER N N 69 114.769 114.769 114.830 -0.061 19155 1319 1 3 . 1 1 69 69 SER HA H 69 2.872 2.872 3.508 -0.636 19155 1320 1 3 . 1 1 69 69 SER C C 69 175.801 175.801 176.579 -0.778 19155 1321 1 3 . 1 1 69 69 SER CA C 69 62.000 62.000 61.515 0.485 19155 1322 1 3 . 1 1 69 69 SER CB C 69 62.282 62.282 62.479 -0.197 19155 1323 1 3 . 1 1 69 69 SER H H 69 8.161 8.161 8.085 0.076 19155 1324 1 3 . 1 1 70 70 ARG N N 70 120.552 120.552 122.126 -1.574 19155 1325 1 3 . 1 1 70 70 ARG HA H 70 3.744 3.744 3.660 0.084 19155 1326 1 3 . 1 1 70 70 ARG C C 70 177.654 177.654 178.630 -0.976 19155 1327 1 3 . 1 1 70 70 ARG CA C 70 59.793 59.793 59.297 0.496 19155 1328 1 3 . 1 1 70 70 ARG CB C 70 29.974 29.974 29.495 0.479 19155 1329 1 3 . 1 1 70 70 ARG H H 70 6.945 6.945 7.770 -0.825 19155 1330 1 3 . 1 1 71 71 SER N N 71 113.064 113.064 113.957 -0.893 19155 1331 1 3 . 1 1 71 71 SER HA H 71 4.275 4.275 4.197 0.078 19155 1332 1 3 . 1 1 71 71 SER C C 71 177.491 177.491 176.177 1.314 19155 1333 1 3 . 1 1 71 71 SER CA C 71 61.571 61.571 61.232 0.339 19155 1334 1 3 . 1 1 71 71 SER CB C 71 62.710 62.710 62.831 -0.122 19155 1335 1 3 . 1 1 71 71 SER H H 71 7.721 7.721 8.016 -0.295 19155 1336 1 3 . 1 1 72 72 LYS N N 72 121.657 121.657 122.005 -0.348 19155 1337 1 3 . 1 1 72 72 LYS HA H 72 4.170 4.170 4.037 0.133 19155 1338 1 3 . 1 1 72 72 LYS C C 72 180.429 180.429 179.015 1.414 19155 1339 1 3 . 1 1 72 72 LYS CA C 72 58.725 58.725 59.415 -0.690 19155 1340 1 3 . 1 1 72 72 LYS CB C 72 32.131 32.131 32.381 -0.250 19155 1341 1 3 . 1 1 72 72 LYS H H 72 8.414 8.414 7.849 0.565 19155 1342 1 3 . 1 1 73 73 VAL N N 73 123.222 123.222 119.951 3.271 19155 1343 1 3 . 1 1 73 73 VAL HA H 73 3.598 3.598 3.626 -0.028 19155 1344 1 3 . 1 1 73 73 VAL C C 73 176.929 176.929 177.487 -0.558 19155 1345 1 3 . 1 1 73 73 VAL CA C 73 66.975 66.975 67.359 -0.384 19155 1346 1 3 . 1 1 73 73 VAL CB C 73 31.704 31.704 31.845 -0.141 19155 1347 1 3 . 1 1 73 73 VAL H H 73 8.421 8.421 8.430 -0.009 19155 1348 1 3 . 1 1 74 74 ASP N N 74 120.101 120.101 118.231 1.870 19155 1349 1 3 . 1 1 74 74 ASP HA H 74 4.393 4.393 4.470 -0.077 19155 1350 1 3 . 1 1 74 74 ASP C C 74 180.001 180.001 178.664 1.337 19155 1351 1 3 . 1 1 74 74 ASP CA C 74 57.324 57.324 56.858 0.466 19155 1352 1 3 . 1 1 74 74 ASP CB C 74 39.326 39.326 40.931 -1.605 19155 1353 1 3 . 1 1 74 74 ASP H H 74 8.674 8.674 8.469 0.205 19155 1354 1 3 . 1 1 75 75 GLU N N 75 121.349 121.349 120.968 0.381 19155 1355 1 3 . 1 1 75 75 GLU HA H 75 4.113 4.113 4.188 -0.075 19155 1356 1 3 . 1 1 75 75 GLU C C 75 178.732 178.732 178.165 0.567 19155 1357 1 3 . 1 1 75 75 GLU CA C 75 59.083 59.083 59.008 0.075 19155 1358 1 3 . 1 1 75 75 GLU CB C 75 29.975 29.975 29.335 0.640 19155 1359 1 3 . 1 1 75 75 GLU H H 75 8.475 8.475 7.750 0.725 19155 1360 1 3 . 1 1 76 76 ALA N N 76 124.160 124.160 122.782 1.378 19155 1361 1 3 . 1 1 76 76 ALA HA H 76 4.281 4.281 4.223 0.058 19155 1362 1 3 . 1 1 76 76 ALA C C 76 179.906 179.906 179.832 0.074 19155 1363 1 3 . 1 1 76 76 ALA CA C 76 55.530 55.530 55.287 0.243 19155 1364 1 3 . 1 1 76 76 ALA CB C 76 17.424 17.424 18.117 -0.693 19155 1365 1 3 . 1 1 76 76 ALA H H 76 7.944 7.944 7.736 0.208 19155 1366 1 3 . 1 1 77 77 VAL N N 77 117.439 117.439 118.742 -1.303 19155 1367 1 3 . 1 1 77 77 VAL HA H 77 3.644 3.644 3.564 0.080 19155 1368 1 3 . 1 1 77 77 VAL C C 77 178.784 178.784 177.800 0.984 19155 1369 1 3 . 1 1 77 77 VAL CA C 77 66.958 66.958 66.832 0.126 19155 1370 1 3 . 1 1 77 77 VAL CB C 77 31.807 31.807 30.796 1.011 19155 1371 1 3 . 1 1 77 77 VAL H H 77 8.204 8.204 8.224 -0.020 19155 1372 1 3 . 1 1 78 78 SER N N 78 113.687 113.687 114.369 -0.682 19155 1373 1 3 . 1 1 78 78 SER HA H 78 4.266 4.266 4.114 0.152 19155 1374 1 3 . 1 1 78 78 SER C C 78 176.762 176.762 176.312 0.450 19155 1375 1 3 . 1 1 78 78 SER CA C 78 61.241 61.241 61.486 -0.245 19155 1376 1 3 . 1 1 78 78 SER CB C 78 62.678 62.678 63.006 -0.328 19155 1377 1 3 . 1 1 78 78 SER H H 78 7.935 7.935 7.936 -0.001 19155 1378 1 3 . 1 1 79 79 LYS N N 79 121.029 121.029 120.527 0.502 19155 1379 1 3 . 1 1 79 79 LYS HA H 79 4.070 4.070 4.272 -0.202 19155 1380 1 3 . 1 1 79 79 LYS C C 79 178.135 178.135 179.327 -1.192 19155 1381 1 3 . 1 1 79 79 LYS CA C 79 58.723 58.723 58.365 0.358 19155 1382 1 3 . 1 1 79 79 LYS CB C 79 32.489 32.489 33.053 -0.564 19155 1383 1 3 . 1 1 79 79 LYS H H 79 7.989 7.989 7.992 -0.003 19155 1384 1 3 . 1 1 80 80 PHE N N 80 117.437 117.437 120.884 -3.447 19155 1385 1 3 . 1 1 80 80 PHE HA H 80 4.490 4.490 4.339 0.151 19155 1386 1 3 . 1 1 80 80 PHE C C 80 176.236 176.236 177.624 -1.388 19155 1387 1 3 . 1 1 80 80 PHE CA C 80 59.444 59.444 60.712 -1.268 19155 1388 1 3 . 1 1 80 80 PHE CB C 80 40.032 40.032 38.949 1.083 19155 1389 1 3 . 1 1 80 80 PHE H H 80 7.838 7.838 8.579 -0.741 19155 1390 1 3 . 1 1 81 81 GLU N N 81 120.092 120.092 118.066 2.026 19155 1391 1 3 . 1 1 81 81 GLU HA H 81 4.290 4.290 4.210 0.080 19155 1392 1 3 . 1 1 81 81 GLU C C 81 175.715 175.715 176.560 -0.845 19155 1393 1 3 . 1 1 81 81 GLU CA C 81 56.928 56.928 57.999 -1.071 19155 1394 1 3 . 1 1 81 81 GLU CB C 81 29.997 29.997 29.588 0.409 19155 1395 1 3 . 1 1 81 81 GLU H H 81 7.864 7.864 8.218 -0.354 19155 1396 1 4 . 1 1 2 2 ASP N N 2 119.961 119.961 121.353 -1.392 19155 1397 1 4 . 1 1 2 2 ASP HA H 2 4.440 4.440 4.330 0.110 19155 1398 1 4 . 1 1 2 2 ASP C C 2 178.594 178.594 177.778 0.816 19155 1399 1 4 . 1 1 2 2 ASP CA C 2 57.997 57.997 57.400 0.597 19155 1400 1 4 . 1 1 2 2 ASP CB C 2 40.098 40.098 39.645 0.453 19155 1401 1 4 . 1 1 2 2 ASP H H 2 8.260 8.260 8.887 -0.627 19155 1402 1 4 . 1 1 3 3 SER N N 3 115.401 115.401 114.104 1.297 19155 1403 1 4 . 1 1 3 3 SER HA H 3 4.358 4.358 4.173 0.185 19155 1404 1 4 . 1 1 3 3 SER C C 3 177.657 177.657 176.552 1.105 19155 1405 1 4 . 1 1 3 3 SER CA C 3 60.656 60.656 61.272 -0.616 19155 1406 1 4 . 1 1 3 3 SER CB C 3 62.319 62.319 62.871 -0.552 19155 1407 1 4 . 1 1 3 3 SER H H 3 8.112 8.112 8.255 -0.143 19155 1408 1 4 . 1 1 4 4 GLU N N 4 122.287 122.287 123.326 -1.039 19155 1409 1 4 . 1 1 4 4 GLU HA H 4 4.045 4.045 4.082 -0.037 19155 1410 1 4 . 1 1 4 4 GLU C C 4 180.035 180.035 178.344 1.691 19155 1411 1 4 . 1 1 4 4 GLU CA C 4 59.072 59.072 59.407 -0.335 19155 1412 1 4 . 1 1 4 4 GLU CB C 4 28.538 28.538 29.453 -0.915 19155 1413 1 4 . 1 1 4 4 GLU H H 4 8.472 8.472 8.377 0.095 19155 1414 1 4 . 1 1 5 5 ARG N N 5 121.026 121.026 117.708 3.318 19155 1415 1 4 . 1 1 5 5 ARG HA H 5 3.894 3.894 4.135 -0.241 19155 1416 1 4 . 1 1 5 5 ARG C C 5 178.298 178.298 178.584 -0.286 19155 1417 1 4 . 1 1 5 5 ARG CA C 5 60.564 60.564 58.630 1.934 19155 1418 1 4 . 1 1 5 5 ARG CB C 5 30.681 30.681 29.222 1.459 19155 1419 1 4 . 1 1 5 5 ARG H H 5 8.771 8.771 8.592 0.179 19155 1420 1 4 . 1 1 6 6 ASP N N 6 119.775 119.775 120.299 -0.524 19155 1421 1 4 . 1 1 6 6 ASP HA H 6 4.455 4.455 4.512 -0.057 19155 1422 1 4 . 1 1 6 6 ASP C C 6 178.676 178.676 177.574 1.102 19155 1423 1 4 . 1 1 6 6 ASP CA C 6 57.956 57.956 57.365 0.591 19155 1424 1 4 . 1 1 6 6 ASP CB C 6 40.774 40.774 41.404 -0.630 19155 1425 1 4 . 1 1 6 6 ASP H H 6 7.889 7.889 8.014 -0.125 19155 1426 1 4 . 1 1 7 7 LYS N N 7 119.937 119.937 119.400 0.537 19155 1427 1 4 . 1 1 7 7 LYS HA H 7 4.014 4.014 4.155 -0.141 19155 1428 1 4 . 1 1 7 7 LYS C C 7 178.977 178.977 178.687 0.290 19155 1429 1 4 . 1 1 7 7 LYS CA C 7 59.793 59.793 59.032 0.761 19155 1430 1 4 . 1 1 7 7 LYS CB C 7 32.850 32.850 32.290 0.560 19155 1431 1 4 . 1 1 7 7 LYS H H 7 7.950 7.950 7.798 0.152 19155 1432 1 4 . 1 1 8 8 ALA N N 8 122.436 122.436 122.465 -0.029 19155 1433 1 4 . 1 1 8 8 ALA HA H 8 4.478 4.478 4.124 0.354 19155 1434 1 4 . 1 1 8 8 ALA C C 8 178.764 178.764 179.153 -0.389 19155 1435 1 4 . 1 1 8 8 ALA CA C 8 55.168 55.168 55.099 0.069 19155 1436 1 4 . 1 1 8 8 ALA CB C 8 19.502 19.502 18.540 0.963 19155 1437 1 4 . 1 1 8 8 ALA H H 8 7.976 7.976 8.723 -0.747 19155 1438 1 4 . 1 1 9 9 ARG N N 9 118.059 118.059 117.612 0.447 19155 1439 1 4 . 1 1 9 9 ARG HA H 9 3.801 3.801 4.076 -0.275 19155 1440 1 4 . 1 1 9 9 ARG C C 9 177.874 177.874 178.438 -0.564 19155 1441 1 4 . 1 1 9 9 ARG CA C 9 59.794 59.794 59.008 0.786 19155 1442 1 4 . 1 1 9 9 ARG CB C 9 29.989 29.989 29.743 0.246 19155 1443 1 4 . 1 1 9 9 ARG H H 9 8.489 8.489 7.687 0.802 19155 1444 1 4 . 1 1 10 10 LYS N N 10 118.064 118.064 120.296 -2.232 19155 1445 1 4 . 1 1 10 10 LYS HA H 10 4.138 4.138 4.051 0.087 19155 1446 1 4 . 1 1 10 10 LYS C C 10 178.619 178.619 178.821 -0.202 19155 1447 1 4 . 1 1 10 10 LYS CA C 10 59.421 59.421 59.516 -0.095 19155 1448 1 4 . 1 1 10 10 LYS CB C 10 32.467 32.467 31.987 0.480 19155 1449 1 4 . 1 1 10 10 LYS H H 10 7.833 7.833 7.644 0.189 19155 1450 1 4 . 1 1 11 11 GLU N N 11 118.845 118.845 119.292 -0.447 19155 1451 1 4 . 1 1 11 11 GLU HA H 11 4.107 4.107 4.066 0.041 19155 1452 1 4 . 1 1 11 11 GLU C C 11 180.137 180.137 179.115 1.022 19155 1453 1 4 . 1 1 11 11 GLU CA C 11 59.803 59.803 59.539 0.264 19155 1454 1 4 . 1 1 11 11 GLU CB C 11 29.248 29.248 29.319 -0.071 19155 1455 1 4 . 1 1 11 11 GLU H H 11 7.991 7.991 8.263 -0.272 19155 1456 1 4 . 1 1 12 12 VAL N N 12 120.562 120.562 115.623 4.939 19155 1457 1 4 . 1 1 12 12 VAL HA H 12 3.851 3.851 3.794 0.057 19155 1458 1 4 . 1 1 12 12 VAL C C 12 178.182 178.182 177.781 0.401 19155 1459 1 4 . 1 1 12 12 VAL CA C 12 66.625 66.625 66.212 0.413 19155 1460 1 4 . 1 1 12 12 VAL CB C 12 31.784 31.784 30.773 1.011 19155 1461 1 4 . 1 1 12 12 VAL H H 12 8.173 8.173 7.607 0.566 19155 1462 1 4 . 1 1 13 13 GLU N N 13 117.912 117.912 120.746 -2.834 19155 1463 1 4 . 1 1 13 13 GLU HA H 13 3.841 3.841 4.070 -0.229 19155 1464 1 4 . 1 1 13 13 GLU C C 13 179.959 179.959 179.428 0.531 19155 1465 1 4 . 1 1 13 13 GLU CA C 13 60.498 60.498 59.827 0.671 19155 1466 1 4 . 1 1 13 13 GLU CB C 13 30.014 30.014 29.321 0.693 19155 1467 1 4 . 1 1 13 13 GLU H H 13 8.624 8.624 7.823 0.801 19155 1468 1 4 . 1 1 14 14 GLU N N 14 117.909 117.909 120.656 -2.747 19155 1469 1 4 . 1 1 14 14 GLU HA H 14 4.025 4.025 4.125 -0.100 19155 1470 1 4 . 1 1 14 14 GLU C C 14 179.020 179.020 178.855 0.165 19155 1471 1 4 . 1 1 14 14 GLU CA C 14 59.442 59.442 59.196 0.246 19155 1472 1 4 . 1 1 14 14 GLU CB C 14 29.257 29.257 29.381 -0.124 19155 1473 1 4 . 1 1 14 14 GLU H H 14 8.904 8.904 8.578 0.326 19155 1474 1 4 . 1 1 15 15 TYR N N 15 122.592 122.592 121.230 1.362 19155 1475 1 4 . 1 1 15 15 TYR HA H 15 4.359 4.359 4.237 0.122 19155 1476 1 4 . 1 1 15 15 TYR C C 15 177.581 177.581 177.745 -0.164 19155 1477 1 4 . 1 1 15 15 TYR CA C 15 62.430 62.430 61.842 0.588 19155 1478 1 4 . 1 1 15 15 TYR CB C 15 38.541 38.541 38.675 -0.134 19155 1479 1 4 . 1 1 15 15 TYR H H 15 8.170 8.170 7.959 0.211 19155 1480 1 4 . 1 1 16 16 VAL N N 16 116.497 116.497 119.299 -2.802 19155 1481 1 4 . 1 1 16 16 VAL HA H 16 3.386 3.386 3.481 -0.095 19155 1482 1 4 . 1 1 16 16 VAL C C 16 177.221 177.221 177.447 -0.226 19155 1483 1 4 . 1 1 16 16 VAL CA C 16 68.053 68.053 67.114 0.939 19155 1484 1 4 . 1 1 16 16 VAL CB C 16 31.427 31.427 31.522 -0.095 19155 1485 1 4 . 1 1 16 16 VAL H H 16 7.953 7.953 8.500 -0.547 19155 1486 1 4 . 1 1 17 17 LYS N N 17 118.530 118.530 118.973 -0.443 19155 1487 1 4 . 1 1 17 17 LYS HA H 17 3.922 3.922 3.965 -0.043 19155 1488 1 4 . 1 1 17 17 LYS C C 17 179.742 179.742 178.576 1.166 19155 1489 1 4 . 1 1 17 17 LYS CA C 17 60.145 60.145 59.481 0.664 19155 1490 1 4 . 1 1 17 17 LYS CB C 17 32.827 32.827 31.779 1.048 19155 1491 1 4 . 1 1 17 17 LYS H H 17 8.274 8.274 8.033 0.241 19155 1492 1 4 . 1 1 18 18 LYS N N 18 121.031 121.031 121.238 -0.207 19155 1493 1 4 . 1 1 18 18 LYS HA H 18 4.018 4.018 4.030 -0.012 19155 1494 1 4 . 1 1 18 18 LYS C C 18 178.962 178.962 178.481 0.481 19155 1495 1 4 . 1 1 18 18 LYS CA C 18 59.085 59.085 59.481 -0.396 19155 1496 1 4 . 1 1 18 18 LYS CB C 18 32.132 32.132 32.404 -0.272 19155 1497 1 4 . 1 1 18 18 LYS H H 18 7.946 7.946 7.370 0.576 19155 1498 1 4 . 1 1 19 19 ILE N N 19 120.718 120.718 119.818 0.900 19155 1499 1 4 . 1 1 19 19 ILE HA H 19 3.727 3.727 3.716 0.011 19155 1500 1 4 . 1 1 19 19 ILE C C 19 172.120 172.120 178.377 -6.257 19155 1501 1 4 . 1 1 19 19 ILE CA C 19 62.128 62.128 64.209 -2.081 19155 1502 1 4 . 1 1 19 19 ILE CB C 19 35.988 35.988 36.898 -0.910 19155 1503 1 4 . 1 1 19 19 ILE H H 19 7.796 7.796 7.999 -0.203 19155 1504 1 4 . 1 1 20 20 VAL N N 20 124.792 124.792 120.538 4.254 19155 1505 1 4 . 1 1 20 20 VAL HA H 20 3.312 3.312 3.611 -0.299 19155 1506 1 4 . 1 1 20 20 VAL C C 20 177.873 177.873 178.376 -0.503 19155 1507 1 4 . 1 1 20 20 VAL CA C 20 67.738 67.738 66.912 0.826 19155 1508 1 4 . 1 1 20 20 VAL CB C 20 31.772 31.772 30.794 0.978 19155 1509 1 4 . 1 1 20 20 VAL H H 20 9.190 9.190 8.712 0.478 19155 1510 1 4 . 1 1 21 21 GLY N N 21 106.034 106.034 107.642 -1.608 19155 1511 1 4 . 1 1 21 21 GLY C C 21 177.470 177.470 176.428 1.042 19155 1512 1 4 . 1 1 21 21 GLY CA C 21 47.226 47.226 47.395 -0.169 19155 1513 1 4 . 1 1 21 21 GLY H H 21 8.117 8.117 8.299 -0.182 19155 1514 1 4 . 1 1 22 22 GLU N N 22 122.282 122.282 120.914 1.368 19155 1515 1 4 . 1 1 22 22 GLU HA H 22 4.104 4.104 4.079 0.025 19155 1516 1 4 . 1 1 22 22 GLU C C 22 178.827 178.827 178.887 -0.060 19155 1517 1 4 . 1 1 22 22 GLU CA C 22 59.016 59.016 58.708 0.308 19155 1518 1 4 . 1 1 22 22 GLU CB C 22 29.619 29.619 29.049 0.570 19155 1519 1 4 . 1 1 22 22 GLU H H 22 8.197 8.197 8.335 -0.138 19155 1520 1 4 . 1 1 23 23 SER N N 23 116.812 116.812 117.021 -0.209 19155 1521 1 4 . 1 1 23 23 SER HA H 23 4.201 4.201 4.020 0.181 19155 1522 1 4 . 1 1 23 23 SER C C 23 177.084 177.084 176.307 0.777 19155 1523 1 4 . 1 1 23 23 SER CA C 23 61.998 61.998 61.694 0.304 19155 1524 1 4 . 1 1 23 23 SER CB C 23 62.105 62.105 62.911 -0.806 19155 1525 1 4 . 1 1 23 23 SER H H 23 8.285 8.285 8.315 -0.030 19155 1526 1 4 . 1 1 24 24 TYR N N 24 120.879 120.879 120.831 0.048 19155 1527 1 4 . 1 1 24 24 TYR HA H 24 4.396 4.396 4.147 0.249 19155 1528 1 4 . 1 1 24 24 TYR C C 24 178.846 178.846 177.526 1.320 19155 1529 1 4 . 1 1 24 24 TYR CA C 24 61.189 61.189 61.391 -0.202 19155 1530 1 4 . 1 1 24 24 TYR CB C 24 37.866 37.866 38.300 -0.434 19155 1531 1 4 . 1 1 24 24 TYR H H 24 8.254 8.254 8.276 -0.022 19155 1532 1 4 . 1 1 25 25 ALA N N 25 122.124 122.124 119.806 2.318 19155 1533 1 4 . 1 1 25 25 ALA HA H 25 4.251 4.251 4.222 0.029 19155 1534 1 4 . 1 1 25 25 ALA C C 25 178.999 178.999 178.298 0.701 19155 1535 1 4 . 1 1 25 25 ALA CA C 25 54.608 54.608 54.074 0.534 19155 1536 1 4 . 1 1 25 25 ALA CB C 25 18.108 18.108 18.930 -0.822 19155 1537 1 4 . 1 1 25 25 ALA H H 25 8.018 8.018 7.447 0.571 19155 1538 1 4 . 1 1 26 26 LYS N N 26 115.251 115.251 117.725 -2.474 19155 1539 1 4 . 1 1 26 26 LYS HA H 26 4.459 4.459 4.280 0.179 19155 1540 1 4 . 1 1 26 26 LYS C C 26 176.598 176.598 177.788 -1.190 19155 1541 1 4 . 1 1 26 26 LYS CA C 26 56.209 56.209 56.609 -0.400 19155 1542 1 4 . 1 1 26 26 LYS CB C 26 33.191 33.191 33.411 -0.220 19155 1543 1 4 . 1 1 26 26 LYS H H 26 7.533 7.533 7.676 -0.143 19155 1544 1 4 . 1 1 27 27 SER N N 27 115.400 115.400 118.425 -3.025 19155 1545 1 4 . 1 1 27 27 SER HA H 27 4.332 4.332 4.170 0.162 19155 1546 1 4 . 1 1 27 27 SER C C 27 174.768 174.768 173.539 1.229 19155 1547 1 4 . 1 1 27 27 SER CA C 27 58.808 58.808 60.542 -1.734 19155 1548 1 4 . 1 1 27 27 SER CB C 27 63.397 63.397 63.576 -0.179 19155 1549 1 4 . 1 1 27 27 SER H H 27 7.570 7.570 8.019 -0.449 19155 1550 1 4 . 1 1 28 28 THR N N 28 114.468 114.468 118.648 -4.180 19155 1551 1 4 . 1 1 28 28 THR HA H 28 4.649 4.649 4.740 -0.091 19155 1552 1 4 . 1 1 28 28 THR CA C 28 60.242 60.242 61.153 -0.911 19155 1553 1 4 . 1 1 28 28 THR CB C 28 71.544 71.544 71.824 -0.280 19155 1554 1 4 . 1 1 28 28 THR H H 28 7.725 7.725 8.428 -0.703 19155 1555 1 4 . 1 1 29 29 LYS HA H 29 4.300 4.300 3.989 0.311 19155 1556 1 4 . 1 1 29 29 LYS CA C 29 57.974 57.974 59.083 -1.109 19155 1557 1 4 . 1 1 29 29 LYS CB C 29 32.820 32.820 32.040 0.780 19155 1558 1 4 . 1 1 30 30 LYS HA H 30 4.154 4.154 4.159 -0.005 19155 1559 1 4 . 1 1 30 30 LYS CA C 30 58.725 58.725 57.839 0.886 19155 1560 1 4 . 1 1 31 31 ARG HA H 31 4.533 4.533 4.661 -0.128 19155 1561 1 4 . 1 1 31 31 ARG CA C 31 56.137 56.137 55.324 0.813 19155 1562 1 4 . 1 1 31 31 ARG CB C 31 31.003 31.003 30.317 0.686 19155 1563 1 4 . 1 1 32 32 HIS HA H 32 4.570 4.570 4.261 0.309 19155 1564 1 4 . 1 1 32 32 HIS C C 32 176.136 176.136 176.374 -0.238 19155 1565 1 4 . 1 1 32 32 HIS CA C 32 58.689 58.689 60.239 -1.550 19155 1566 1 4 . 1 1 32 32 HIS CB C 32 30.731 30.731 30.307 0.424 19155 1567 1 4 . 1 1 33 33 THR N N 33 111.162 111.162 113.899 -2.737 19155 1568 1 4 . 1 1 33 33 THR HA H 33 3.976 3.976 4.010 -0.034 19155 1569 1 4 . 1 1 33 33 THR C C 33 176.807 176.807 176.541 0.266 19155 1570 1 4 . 1 1 33 33 THR CA C 33 65.194 65.194 65.796 -0.602 19155 1571 1 4 . 1 1 33 33 THR CB C 33 68.428 68.428 68.252 0.176 19155 1572 1 4 . 1 1 33 33 THR H H 33 8.355 8.355 8.347 0.008 19155 1573 1 4 . 1 1 34 34 ILE N N 34 123.220 123.220 121.954 1.266 19155 1574 1 4 . 1 1 34 34 ILE HA H 34 4.047 4.047 3.843 0.204 19155 1575 1 4 . 1 1 34 34 ILE C C 34 176.944 176.944 177.658 -0.714 19155 1576 1 4 . 1 1 34 34 ILE CA C 34 63.746 63.746 64.698 -0.952 19155 1577 1 4 . 1 1 34 34 ILE CB C 34 37.905 37.905 37.493 0.412 19155 1578 1 4 . 1 1 34 34 ILE H H 34 7.824 7.824 7.809 0.015 19155 1579 1 4 . 1 1 35 35 THR N N 35 118.694 118.694 117.756 0.938 19155 1580 1 4 . 1 1 35 35 THR HA H 35 4.103 4.103 3.793 0.310 19155 1581 1 4 . 1 1 35 35 THR C C 35 175.385 175.385 176.274 -0.889 19155 1582 1 4 . 1 1 35 35 THR CA C 35 63.339 63.339 67.390 -4.051 19155 1583 1 4 . 1 1 35 35 THR CB C 35 68.428 68.428 68.244 0.184 19155 1584 1 4 . 1 1 35 35 THR H H 35 8.053 8.053 7.645 0.408 19155 1585 1 4 . 1 1 36 36 VAL N N 36 120.252 120.252 120.993 -0.741 19155 1586 1 4 . 1 1 36 36 VAL HA H 36 3.494 3.494 3.530 -0.036 19155 1587 1 4 . 1 1 36 36 VAL C C 36 177.667 177.667 176.939 0.728 19155 1588 1 4 . 1 1 36 36 VAL CA C 36 66.312 66.312 65.293 1.019 19155 1589 1 4 . 1 1 36 36 VAL CB C 36 31.787 31.787 31.315 0.472 19155 1590 1 4 . 1 1 36 36 VAL H H 36 8.148 8.148 7.644 0.504 19155 1591 1 4 . 1 1 37 37 ALA N N 37 121.815 121.815 123.238 -1.423 19155 1592 1 4 . 1 1 37 37 ALA HA H 37 4.168 4.168 4.039 0.129 19155 1593 1 4 . 1 1 37 37 ALA C C 37 180.404 180.404 179.243 1.161 19155 1594 1 4 . 1 1 37 37 ALA CA C 37 55.062 55.062 55.405 -0.343 19155 1595 1 4 . 1 1 37 37 ALA CB C 37 18.114 18.114 18.305 -0.191 19155 1596 1 4 . 1 1 37 37 ALA H H 37 7.526 7.526 7.949 -0.423 19155 1597 1 4 . 1 1 38 38 LEU N N 38 122.124 122.124 119.375 2.749 19155 1598 1 4 . 1 1 38 38 LEU HA H 38 3.574 3.574 3.480 0.094 19155 1599 1 4 . 1 1 38 38 LEU C C 38 177.815 177.815 178.562 -0.747 19155 1600 1 4 . 1 1 38 38 LEU CA C 38 57.671 57.671 57.123 0.548 19155 1601 1 4 . 1 1 38 38 LEU CB C 38 40.383 40.383 41.250 -0.867 19155 1602 1 4 . 1 1 38 38 LEU H H 38 7.987 7.987 7.853 0.134 19155 1603 1 4 . 1 1 39 39 VAL N N 39 119.627 119.627 119.334 0.293 19155 1604 1 4 . 1 1 39 39 VAL HA H 39 3.295 3.295 3.450 -0.155 19155 1605 1 4 . 1 1 39 39 VAL C C 39 178.084 178.084 177.899 0.185 19155 1606 1 4 . 1 1 39 39 VAL CA C 39 67.710 67.710 66.677 1.033 19155 1607 1 4 . 1 1 39 39 VAL CB C 39 31.393 31.393 30.683 0.710 19155 1608 1 4 . 1 1 39 39 VAL H H 39 8.410 8.410 8.453 -0.043 19155 1609 1 4 . 1 1 40 40 ASN N N 40 117.904 117.904 118.754 -0.850 19155 1610 1 4 . 1 1 40 40 ASN HA H 40 4.528 4.528 4.420 0.108 19155 1611 1 4 . 1 1 40 40 ASN C C 40 177.814 177.814 177.765 0.049 19155 1612 1 4 . 1 1 40 40 ASN CA C 40 56.214 56.214 56.785 -0.571 19155 1613 1 4 . 1 1 40 40 ASN CB C 40 37.990 37.990 38.409 -0.419 19155 1614 1 4 . 1 1 40 40 ASN H H 40 8.211 8.211 8.152 0.059 19155 1615 1 4 . 1 1 41 41 GLU N N 41 122.117 122.117 121.624 0.493 19155 1616 1 4 . 1 1 41 41 GLU HA H 41 4.330 4.330 4.110 0.220 19155 1617 1 4 . 1 1 41 41 GLU C C 41 179.186 179.186 178.710 0.476 19155 1618 1 4 . 1 1 41 41 GLU CA C 41 59.444 59.444 59.037 0.407 19155 1619 1 4 . 1 1 41 41 GLU CB C 41 28.935 28.935 29.381 -0.446 19155 1620 1 4 . 1 1 41 41 GLU H H 41 7.895 7.895 7.978 -0.083 19155 1621 1 4 . 1 1 42 42 LEU N N 42 118.997 118.997 119.186 -0.189 19155 1622 1 4 . 1 1 42 42 LEU HA H 42 4.036 4.036 3.794 0.242 19155 1623 1 4 . 1 1 42 42 LEU C C 42 179.072 179.072 178.734 0.338 19155 1624 1 4 . 1 1 42 42 LEU CA C 42 58.028 58.028 58.554 -0.526 19155 1625 1 4 . 1 1 42 42 LEU CB C 42 41.053 41.053 41.711 -0.658 19155 1626 1 4 . 1 1 42 42 LEU H H 42 8.915 8.915 8.503 0.412 19155 1627 1 4 . 1 1 43 43 ASN N N 43 117.439 117.439 117.094 0.345 19155 1628 1 4 . 1 1 43 43 ASN HA H 43 4.560 4.560 4.471 0.089 19155 1629 1 4 . 1 1 43 43 ASN C C 43 177.692 177.692 177.719 -0.027 19155 1630 1 4 . 1 1 43 43 ASN CA C 43 56.224 56.224 56.184 0.040 19155 1631 1 4 . 1 1 43 43 ASN CB C 43 38.241 38.241 38.109 0.132 19155 1632 1 4 . 1 1 43 43 ASN H H 43 8.436 8.436 7.998 0.438 19155 1633 1 4 . 1 1 44 44 ASN N N 44 121.188 121.188 120.810 0.378 19155 1634 1 4 . 1 1 44 44 ASN HA H 44 4.647 4.647 4.593 0.054 19155 1635 1 4 . 1 1 44 44 ASN C C 44 178.704 178.704 177.517 1.187 19155 1636 1 4 . 1 1 44 44 ASN CA C 44 56.233 56.233 56.017 0.216 19155 1637 1 4 . 1 1 44 44 ASN CB C 44 37.466 37.466 38.391 -0.925 19155 1638 1 4 . 1 1 44 44 ASN H H 44 8.079 8.079 8.117 -0.038 19155 1639 1 4 . 1 1 45 45 ILE N N 45 124.315 124.315 120.688 3.627 19155 1640 1 4 . 1 1 45 45 ILE HA H 45 3.985 3.985 3.726 0.259 19155 1641 1 4 . 1 1 45 45 ILE C C 45 177.925 177.925 177.796 0.129 19155 1642 1 4 . 1 1 45 45 ILE CA C 45 65.578 65.578 65.555 0.023 19155 1643 1 4 . 1 1 45 45 ILE CB C 45 38.903 38.903 37.574 1.329 19155 1644 1 4 . 1 1 45 45 ILE H H 45 8.533 8.533 8.154 0.379 19155 1645 1 4 . 1 1 46 46 LYS N N 46 119.624 119.624 120.720 -1.096 19155 1646 1 4 . 1 1 46 46 LYS HA H 46 3.743 3.743 3.932 -0.189 19155 1647 1 4 . 1 1 46 46 LYS C C 46 177.699 177.699 178.914 -1.215 19155 1648 1 4 . 1 1 46 46 LYS CA C 46 60.161 60.161 60.309 -0.147 19155 1649 1 4 . 1 1 46 46 LYS CB C 46 31.420 31.420 32.270 -0.850 19155 1650 1 4 . 1 1 46 46 LYS H H 46 8.660 8.660 8.018 0.642 19155 1651 1 4 . 1 1 47 47 ASN N N 47 116.034 116.034 117.585 -1.551 19155 1652 1 4 . 1 1 47 47 ASN HA H 47 4.468 4.468 4.452 0.016 19155 1653 1 4 . 1 1 47 47 ASN C C 47 177.768 177.768 177.800 -0.032 19155 1654 1 4 . 1 1 47 47 ASN CA C 47 56.538 56.538 56.238 0.300 19155 1655 1 4 . 1 1 47 47 ASN CB C 47 37.882 37.882 38.189 -0.307 19155 1656 1 4 . 1 1 47 47 ASN H H 47 8.344 8.344 8.347 -0.003 19155 1657 1 4 . 1 1 48 48 GLU N N 48 121.665 121.665 120.944 0.721 19155 1658 1 4 . 1 1 48 48 GLU HA H 48 4.044 4.044 4.010 0.034 19155 1659 1 4 . 1 1 48 48 GLU C C 48 179.915 179.915 179.109 0.806 19155 1660 1 4 . 1 1 48 48 GLU CA C 48 59.444 59.444 59.580 -0.135 19155 1661 1 4 . 1 1 48 48 GLU CB C 48 29.230 29.230 29.597 -0.367 19155 1662 1 4 . 1 1 48 48 GLU H H 48 8.301 8.301 8.118 0.183 19155 1663 1 4 . 1 1 49 49 TYR N N 49 117.600 117.600 118.942 -1.342 19155 1664 1 4 . 1 1 49 49 TYR HA H 49 3.992 3.992 4.335 -0.343 19155 1665 1 4 . 1 1 49 49 TYR C C 49 178.275 178.275 178.327 -0.052 19155 1666 1 4 . 1 1 49 49 TYR CA C 49 64.508 64.508 61.779 2.729 19155 1667 1 4 . 1 1 49 49 TYR CB C 49 37.881 37.881 38.537 -0.656 19155 1668 1 4 . 1 1 49 49 TYR H H 49 8.581 8.581 8.578 0.003 19155 1669 1 4 . 1 1 50 50 LEU N N 50 122.126 122.126 120.436 1.690 19155 1670 1 4 . 1 1 50 50 LEU HA H 50 4.181 4.181 3.825 0.356 19155 1671 1 4 . 1 1 50 50 LEU C C 50 180.089 180.089 179.098 0.991 19155 1672 1 4 . 1 1 50 50 LEU CA C 50 59.061 59.061 58.640 0.421 19155 1673 1 4 . 1 1 50 50 LEU CB C 50 40.096 40.096 41.492 -1.396 19155 1674 1 4 . 1 1 50 50 LEU H H 50 9.207 9.207 8.933 0.274 19155 1675 1 4 . 1 1 51 51 ASN N N 51 117.124 117.124 117.306 -0.182 19155 1676 1 4 . 1 1 51 51 ASN HA H 51 4.535 4.535 4.462 0.073 19155 1677 1 4 . 1 1 51 51 ASN C C 51 177.522 177.522 177.408 0.114 19155 1678 1 4 . 1 1 51 51 ASN CA C 51 56.240 56.240 56.378 -0.138 19155 1679 1 4 . 1 1 51 51 ASN CB C 51 37.898 37.898 38.540 -0.642 19155 1680 1 4 . 1 1 51 51 ASN H H 51 7.634 7.634 7.965 -0.331 19155 1681 1 4 . 1 1 52 52 LYS N N 52 119.154 119.154 119.403 -0.249 19155 1682 1 4 . 1 1 52 52 LYS HA H 52 4.037 4.037 3.982 0.055 19155 1683 1 4 . 1 1 52 52 LYS C C 52 179.905 179.905 178.125 1.780 19155 1684 1 4 . 1 1 52 52 LYS CA C 52 59.803 59.803 59.394 0.409 19155 1685 1 4 . 1 1 52 52 LYS CB C 52 33.215 33.215 32.330 0.885 19155 1686 1 4 . 1 1 52 52 LYS H H 52 7.663 7.663 7.831 -0.168 19155 1687 1 4 . 1 1 53 53 ILE N N 53 121.662 121.662 118.093 3.569 19155 1688 1 4 . 1 1 53 53 ILE HA H 53 3.532 3.532 3.777 -0.245 19155 1689 1 4 . 1 1 53 53 ILE C C 53 178.489 178.489 177.911 0.578 19155 1690 1 4 . 1 1 53 53 ILE CA C 53 65.906 65.906 64.583 1.323 19155 1691 1 4 . 1 1 53 53 ILE CB C 53 38.249 38.249 38.364 -0.115 19155 1692 1 4 . 1 1 53 53 ILE H H 53 8.493 8.493 8.090 0.403 19155 1693 1 4 . 1 1 54 54 VAL N N 54 119.477 119.477 120.048 -0.571 19155 1694 1 4 . 1 1 54 54 VAL HA H 54 3.647 3.647 3.745 -0.099 19155 1695 1 4 . 1 1 54 54 VAL C C 54 176.683 176.683 176.945 -0.262 19155 1696 1 4 . 1 1 54 54 VAL CA C 54 66.643 66.643 65.122 1.521 19155 1697 1 4 . 1 1 54 54 VAL CB C 54 31.448 31.448 31.413 0.035 19155 1698 1 4 . 1 1 54 54 VAL H H 54 7.598 7.598 7.689 -0.091 19155 1699 1 4 . 1 1 55 55 GLU N N 55 114.467 114.467 118.883 -4.416 19155 1700 1 4 . 1 1 55 55 GLU HA H 55 4.281 4.281 4.271 0.010 19155 1701 1 4 . 1 1 55 55 GLU C C 55 176.914 176.914 176.279 0.635 19155 1702 1 4 . 1 1 55 55 GLU CA C 55 56.195 56.195 56.293 -0.098 19155 1703 1 4 . 1 1 55 55 GLU CB C 55 30.354 30.354 29.961 0.393 19155 1704 1 4 . 1 1 55 55 GLU H H 55 7.064 7.064 7.660 -0.596 19155 1705 1 4 . 1 1 56 56 SER N N 56 116.806 116.806 114.246 2.560 19155 1706 1 4 . 1 1 56 56 SER HA H 56 4.435 4.435 4.445 -0.010 19155 1707 1 4 . 1 1 56 56 SER C C 56 175.566 175.566 174.361 1.205 19155 1708 1 4 . 1 1 56 56 SER CA C 56 60.163 60.163 58.884 1.279 19155 1709 1 4 . 1 1 56 56 SER CB C 56 64.439 64.439 63.901 0.538 19155 1710 1 4 . 1 1 56 56 SER H H 56 7.504 7.504 7.450 0.054 19155 1711 1 4 . 1 1 57 57 THR N N 57 111.347 111.347 116.501 -5.154 19155 1712 1 4 . 1 1 57 57 THR HA H 57 4.539 4.539 4.441 0.098 19155 1713 1 4 . 1 1 57 57 THR C C 57 174.424 174.424 174.259 0.165 19155 1714 1 4 . 1 1 57 57 THR CA C 57 61.518 61.518 62.443 -0.925 19155 1715 1 4 . 1 1 57 57 THR CB C 57 70.377 70.377 69.580 0.797 19155 1716 1 4 . 1 1 57 57 THR H H 57 9.083 9.083 8.484 0.599 19155 1717 1 4 . 1 1 58 58 SER N N 58 115.415 115.415 116.590 -1.175 19155 1718 1 4 . 1 1 58 58 SER HA H 58 5.059 5.059 4.769 0.290 19155 1719 1 4 . 1 1 58 58 SER C C 58 174.278 174.278 174.206 0.072 19155 1720 1 4 . 1 1 58 58 SER CA C 58 56.928 56.928 57.285 -0.356 19155 1721 1 4 . 1 1 58 58 SER CB C 58 66.570 66.570 65.679 0.891 19155 1722 1 4 . 1 1 58 58 SER H H 58 7.689 7.689 7.729 -0.040 19155 1723 1 4 . 1 1 59 59 GLU N N 59 124.305 124.305 126.871 -2.566 19155 1724 1 4 . 1 1 59 59 GLU HA H 59 3.990 3.990 3.912 0.078 19155 1725 1 4 . 1 1 59 59 GLU C C 59 179.113 179.113 177.603 1.510 19155 1726 1 4 . 1 1 59 59 GLU CA C 59 60.159 60.159 59.590 0.569 19155 1727 1 4 . 1 1 59 59 GLU CB C 59 29.616 29.616 28.989 0.626 19155 1728 1 4 . 1 1 59 59 GLU H H 59 9.719 9.719 9.097 0.622 19155 1729 1 4 . 1 1 60 60 SER N N 60 115.406 115.406 115.474 -0.068 19155 1730 1 4 . 1 1 60 60 SER HA H 60 4.249 4.249 4.088 0.161 19155 1731 1 4 . 1 1 60 60 SER C C 60 177.307 177.307 176.817 0.490 19155 1732 1 4 . 1 1 60 60 SER CA C 60 61.259 61.259 60.915 0.344 19155 1733 1 4 . 1 1 60 60 SER CB C 60 61.960 61.960 62.514 -0.554 19155 1734 1 4 . 1 1 60 60 SER H H 60 8.614 8.614 8.159 0.455 19155 1735 1 4 . 1 1 61 61 GLN N N 61 121.656 121.656 122.172 -0.516 19155 1736 1 4 . 1 1 61 61 GLN HA H 61 4.107 4.107 4.193 -0.086 19155 1737 1 4 . 1 1 61 61 GLN C C 61 178.777 178.777 178.227 0.550 19155 1738 1 4 . 1 1 61 61 GLN CA C 61 58.743 58.743 58.223 0.520 19155 1739 1 4 . 1 1 61 61 GLN CB C 61 28.900 28.900 28.193 0.707 19155 1740 1 4 . 1 1 61 61 GLN H H 61 7.669 7.669 7.871 -0.202 19155 1741 1 4 . 1 1 62 62 LEU N N 62 118.689 118.689 120.403 -1.714 19155 1742 1 4 . 1 1 62 62 LEU HA H 62 4.035 4.035 3.900 0.135 19155 1743 1 4 . 1 1 62 62 LEU C C 62 178.363 178.363 179.229 -0.866 19155 1744 1 4 . 1 1 62 62 LEU CA C 62 58.725 58.725 57.958 0.767 19155 1745 1 4 . 1 1 62 62 LEU CB C 62 41.836 41.836 41.681 0.155 19155 1746 1 4 . 1 1 62 62 LEU H H 62 7.736 7.736 8.256 -0.520 19155 1747 1 4 . 1 1 63 63 GLN N N 63 117.441 117.441 117.633 -0.192 19155 1748 1 4 . 1 1 63 63 GLN HA H 63 4.078 4.078 4.002 0.076 19155 1749 1 4 . 1 1 63 63 GLN C C 63 179.312 179.312 178.669 0.643 19155 1750 1 4 . 1 1 63 63 GLN CA C 63 59.062 59.062 58.736 0.326 19155 1751 1 4 . 1 1 63 63 GLN CB C 63 27.819 27.819 28.812 -0.993 19155 1752 1 4 . 1 1 63 63 GLN H H 63 7.943 7.943 7.715 0.228 19155 1753 1 4 . 1 1 64 64 ILE N N 64 120.406 120.406 119.829 0.577 19155 1754 1 4 . 1 1 64 64 ILE HA H 64 3.809 3.809 3.907 -0.098 19155 1755 1 4 . 1 1 64 64 ILE C C 64 178.734 178.734 177.969 0.765 19155 1756 1 4 . 1 1 64 64 ILE CA C 64 64.722 64.722 61.724 2.998 19155 1757 1 4 . 1 1 64 64 ILE CB C 64 37.971 37.971 36.825 1.146 19155 1758 1 4 . 1 1 64 64 ILE H H 64 7.544 7.544 7.641 -0.097 19155 1759 1 4 . 1 1 65 65 LEU N N 65 120.247 120.247 119.903 0.344 19155 1760 1 4 . 1 1 65 65 LEU HA H 65 4.212 4.212 4.033 0.179 19155 1761 1 4 . 1 1 65 65 LEU C C 65 179.685 179.685 179.071 0.614 19155 1762 1 4 . 1 1 65 65 LEU CA C 65 58.004 58.004 58.083 -0.079 19155 1763 1 4 . 1 1 65 65 LEU CB C 65 42.553 42.553 41.326 1.227 19155 1764 1 4 . 1 1 65 65 LEU H H 65 8.361 8.361 8.546 -0.185 19155 1765 1 4 . 1 1 66 66 MET N N 66 118.685 118.685 117.773 0.912 19155 1766 1 4 . 1 1 66 66 MET HA H 66 3.918 3.918 4.027 -0.109 19155 1767 1 4 . 1 1 66 66 MET C C 66 178.906 178.906 178.518 0.388 19155 1768 1 4 . 1 1 66 66 MET CA C 66 59.467 59.467 59.521 -0.054 19155 1769 1 4 . 1 1 66 66 MET CB C 66 33.519 33.519 32.373 1.145 19155 1770 1 4 . 1 1 66 66 MET H H 66 8.458 8.458 7.424 1.034 19155 1771 1 4 . 1 1 67 67 MET N N 67 118.685 118.685 118.372 0.313 19155 1772 1 4 . 1 1 67 67 MET HA H 67 4.098 4.098 3.996 0.102 19155 1773 1 4 . 1 1 67 67 MET C C 67 178.781 178.781 178.567 0.214 19155 1774 1 4 . 1 1 67 67 MET CA C 67 58.379 58.379 59.090 -0.710 19155 1775 1 4 . 1 1 67 67 MET CB C 67 32.031 32.031 32.107 -0.076 19155 1776 1 4 . 1 1 67 67 MET H H 67 7.559 7.559 7.600 -0.041 19155 1777 1 4 . 1 1 68 68 GLU N N 68 122.128 122.128 120.064 2.064 19155 1778 1 4 . 1 1 68 68 GLU HA H 68 3.990 3.990 3.944 0.046 19155 1779 1 4 . 1 1 68 68 GLU C C 68 178.803 178.803 179.020 -0.217 19155 1780 1 4 . 1 1 68 68 GLU CA C 68 59.459 59.459 59.877 -0.418 19155 1781 1 4 . 1 1 68 68 GLU CB C 68 30.706 30.706 29.212 1.494 19155 1782 1 4 . 1 1 68 68 GLU H H 68 8.895 8.895 8.729 0.166 19155 1783 1 4 . 1 1 69 69 SER N N 69 114.769 114.769 114.521 0.248 19155 1784 1 4 . 1 1 69 69 SER HA H 69 2.872 2.872 3.573 -0.701 19155 1785 1 4 . 1 1 69 69 SER C C 69 175.801 175.801 176.868 -1.067 19155 1786 1 4 . 1 1 69 69 SER CA C 69 62.000 62.000 60.706 1.294 19155 1787 1 4 . 1 1 69 69 SER CB C 69 62.282 62.282 62.669 -0.387 19155 1788 1 4 . 1 1 69 69 SER H H 69 8.161 8.161 7.939 0.222 19155 1789 1 4 . 1 1 70 70 ARG N N 70 120.552 120.552 121.400 -0.848 19155 1790 1 4 . 1 1 70 70 ARG HA H 70 3.744 3.744 3.950 -0.206 19155 1791 1 4 . 1 1 70 70 ARG C C 70 177.654 177.654 178.409 -0.755 19155 1792 1 4 . 1 1 70 70 ARG CA C 70 59.793 59.793 59.553 0.240 19155 1793 1 4 . 1 1 70 70 ARG CB C 70 29.974 29.974 29.686 0.288 19155 1794 1 4 . 1 1 70 70 ARG H H 70 6.945 6.945 8.229 -1.284 19155 1795 1 4 . 1 1 71 71 SER N N 71 113.064 113.064 115.190 -2.126 19155 1796 1 4 . 1 1 71 71 SER HA H 71 4.275 4.275 4.072 0.203 19155 1797 1 4 . 1 1 71 71 SER C C 71 177.491 177.491 176.340 1.151 19155 1798 1 4 . 1 1 71 71 SER CA C 71 61.571 61.571 62.023 -0.452 19155 1799 1 4 . 1 1 71 71 SER CB C 71 62.710 62.710 62.880 -0.170 19155 1800 1 4 . 1 1 71 71 SER H H 71 7.721 7.721 8.421 -0.700 19155 1801 1 4 . 1 1 72 72 LYS N N 72 121.657 121.657 121.099 0.558 19155 1802 1 4 . 1 1 72 72 LYS HA H 72 4.170 4.170 4.090 0.080 19155 1803 1 4 . 1 1 72 72 LYS C C 72 180.429 180.429 179.214 1.215 19155 1804 1 4 . 1 1 72 72 LYS CA C 72 58.725 58.725 59.005 -0.280 19155 1805 1 4 . 1 1 72 72 LYS CB C 72 32.131 32.131 32.417 -0.286 19155 1806 1 4 . 1 1 72 72 LYS H H 72 8.414 8.414 8.009 0.405 19155 1807 1 4 . 1 1 73 73 VAL N N 73 123.222 123.222 121.263 1.959 19155 1808 1 4 . 1 1 73 73 VAL HA H 73 3.598 3.598 3.524 0.074 19155 1809 1 4 . 1 1 73 73 VAL C C 73 176.929 176.929 177.231 -0.302 19155 1810 1 4 . 1 1 73 73 VAL CA C 73 66.975 66.975 67.309 -0.334 19155 1811 1 4 . 1 1 73 73 VAL CB C 73 31.704 31.704 31.912 -0.208 19155 1812 1 4 . 1 1 73 73 VAL H H 73 8.421 8.421 8.001 0.420 19155 1813 1 4 . 1 1 74 74 ASP N N 74 120.101 120.101 119.676 0.425 19155 1814 1 4 . 1 1 74 74 ASP HA H 74 4.393 4.393 4.377 0.016 19155 1815 1 4 . 1 1 74 74 ASP C C 74 180.001 180.001 178.404 1.597 19155 1816 1 4 . 1 1 74 74 ASP CA C 74 57.324 57.324 57.642 -0.318 19155 1817 1 4 . 1 1 74 74 ASP CB C 74 39.326 39.326 40.918 -1.592 19155 1818 1 4 . 1 1 74 74 ASP H H 74 8.674 8.674 8.406 0.268 19155 1819 1 4 . 1 1 75 75 GLU N N 75 121.349 121.349 120.237 1.112 19155 1820 1 4 . 1 1 75 75 GLU HA H 75 4.113 4.113 4.115 -0.002 19155 1821 1 4 . 1 1 75 75 GLU C C 75 178.732 178.732 178.494 0.238 19155 1822 1 4 . 1 1 75 75 GLU CA C 75 59.083 59.083 59.324 -0.241 19155 1823 1 4 . 1 1 75 75 GLU CB C 75 29.975 29.975 29.423 0.552 19155 1824 1 4 . 1 1 75 75 GLU H H 75 8.475 8.475 8.520 -0.045 19155 1825 1 4 . 1 1 76 76 ALA N N 76 124.160 124.160 122.084 2.076 19155 1826 1 4 . 1 1 76 76 ALA HA H 76 4.281 4.281 4.167 0.114 19155 1827 1 4 . 1 1 76 76 ALA C C 76 179.906 179.906 179.743 0.163 19155 1828 1 4 . 1 1 76 76 ALA CA C 76 55.530 55.530 55.135 0.395 19155 1829 1 4 . 1 1 76 76 ALA CB C 76 17.424 17.424 18.494 -1.070 19155 1830 1 4 . 1 1 76 76 ALA H H 76 7.944 7.944 7.707 0.237 19155 1831 1 4 . 1 1 77 77 VAL N N 77 117.439 117.439 119.105 -1.666 19155 1832 1 4 . 1 1 77 77 VAL HA H 77 3.644 3.644 3.475 0.169 19155 1833 1 4 . 1 1 77 77 VAL C C 77 178.784 178.784 177.944 0.840 19155 1834 1 4 . 1 1 77 77 VAL CA C 77 66.958 66.958 66.928 0.030 19155 1835 1 4 . 1 1 77 77 VAL CB C 77 31.807 31.807 31.681 0.126 19155 1836 1 4 . 1 1 77 77 VAL H H 77 8.204 8.204 8.354 -0.150 19155 1837 1 4 . 1 1 78 78 SER N N 78 113.687 113.687 114.646 -0.959 19155 1838 1 4 . 1 1 78 78 SER HA H 78 4.266 4.266 4.088 0.178 19155 1839 1 4 . 1 1 78 78 SER C C 78 176.762 176.762 176.032 0.730 19155 1840 1 4 . 1 1 78 78 SER CA C 78 61.241 61.241 61.993 -0.752 19155 1841 1 4 . 1 1 78 78 SER CB C 78 62.678 62.678 63.067 -0.389 19155 1842 1 4 . 1 1 78 78 SER H H 78 7.935 7.935 8.408 -0.473 19155 1843 1 4 . 1 1 79 79 LYS N N 79 121.029 121.029 120.701 0.328 19155 1844 1 4 . 1 1 79 79 LYS HA H 79 4.070 4.070 4.059 0.011 19155 1845 1 4 . 1 1 79 79 LYS C C 79 178.135 178.135 178.173 -0.038 19155 1846 1 4 . 1 1 79 79 LYS CA C 79 58.723 58.723 59.108 -0.385 19155 1847 1 4 . 1 1 79 79 LYS CB C 79 32.489 32.489 32.608 -0.119 19155 1848 1 4 . 1 1 79 79 LYS H H 79 7.989 7.989 8.142 -0.153 19155 1849 1 4 . 1 1 80 80 PHE N N 80 117.437 117.437 116.050 1.387 19155 1850 1 4 . 1 1 80 80 PHE HA H 80 4.490 4.490 4.555 -0.065 19155 1851 1 4 . 1 1 80 80 PHE C C 80 176.236 176.236 176.571 -0.335 19155 1852 1 4 . 1 1 80 80 PHE CA C 80 59.444 59.444 59.921 -0.477 19155 1853 1 4 . 1 1 80 80 PHE CB C 80 40.032 40.032 39.953 0.079 19155 1854 1 4 . 1 1 80 80 PHE H H 80 7.838 7.838 7.763 0.075 19155 1855 1 4 . 1 1 81 81 GLU N N 81 120.092 120.092 117.594 2.498 19155 1856 1 4 . 1 1 81 81 GLU HA H 81 4.290 4.290 4.278 0.012 19155 1857 1 4 . 1 1 81 81 GLU C C 81 175.715 175.715 177.225 -1.510 19155 1858 1 4 . 1 1 81 81 GLU CA C 81 56.928 56.928 57.164 -0.236 19155 1859 1 4 . 1 1 81 81 GLU CB C 81 29.997 29.997 29.948 0.049 19155 1860 1 4 . 1 1 81 81 GLU H H 81 7.864 7.864 8.421 -0.557 19155 1861 1 5 . 1 1 2 2 ASP N N 2 119.961 119.961 121.394 -1.433 19155 1862 1 5 . 1 1 2 2 ASP HA H 2 4.440 4.440 4.380 0.060 19155 1863 1 5 . 1 1 2 2 ASP C C 2 178.594 178.594 178.015 0.579 19155 1864 1 5 . 1 1 2 2 ASP CA C 2 57.997 57.997 57.666 0.331 19155 1865 1 5 . 1 1 2 2 ASP CB C 2 40.098 40.098 40.703 -0.605 19155 1866 1 5 . 1 1 2 2 ASP H H 2 8.260 8.260 8.793 -0.533 19155 1867 1 5 . 1 1 3 3 SER N N 3 115.401 115.401 114.082 1.319 19155 1868 1 5 . 1 1 3 3 SER HA H 3 4.358 4.358 4.323 0.035 19155 1869 1 5 . 1 1 3 3 SER C C 3 177.657 177.657 176.377 1.280 19155 1870 1 5 . 1 1 3 3 SER CA C 3 60.656 60.656 60.472 0.184 19155 1871 1 5 . 1 1 3 3 SER CB C 3 62.319 62.319 62.825 -0.506 19155 1872 1 5 . 1 1 3 3 SER H H 3 8.112 8.112 8.076 0.036 19155 1873 1 5 . 1 1 4 4 GLU N N 4 122.287 122.287 121.771 0.516 19155 1874 1 5 . 1 1 4 4 GLU HA H 4 4.045 4.045 4.140 -0.095 19155 1875 1 5 . 1 1 4 4 GLU C C 4 180.035 180.035 178.601 1.434 19155 1876 1 5 . 1 1 4 4 GLU CA C 4 59.072 59.072 59.678 -0.606 19155 1877 1 5 . 1 1 4 4 GLU CB C 4 28.538 28.538 29.309 -0.771 19155 1878 1 5 . 1 1 4 4 GLU H H 4 8.472 8.472 8.535 -0.063 19155 1879 1 5 . 1 1 5 5 ARG N N 5 121.026 121.026 118.098 2.928 19155 1880 1 5 . 1 1 5 5 ARG HA H 5 3.894 3.894 4.041 -0.147 19155 1881 1 5 . 1 1 5 5 ARG C C 5 178.298 178.298 178.399 -0.101 19155 1882 1 5 . 1 1 5 5 ARG CA C 5 60.564 60.564 59.197 1.367 19155 1883 1 5 . 1 1 5 5 ARG CB C 5 30.681 30.681 29.781 0.900 19155 1884 1 5 . 1 1 5 5 ARG H H 5 8.771 8.771 8.332 0.439 19155 1885 1 5 . 1 1 6 6 ASP N N 6 119.775 119.775 120.444 -0.669 19155 1886 1 5 . 1 1 6 6 ASP HA H 6 4.455 4.455 4.373 0.082 19155 1887 1 5 . 1 1 6 6 ASP C C 6 178.676 178.676 178.190 0.486 19155 1888 1 5 . 1 1 6 6 ASP CA C 6 57.956 57.956 57.420 0.536 19155 1889 1 5 . 1 1 6 6 ASP CB C 6 40.774 40.774 40.745 0.029 19155 1890 1 5 . 1 1 6 6 ASP H H 6 7.889 7.889 8.158 -0.269 19155 1891 1 5 . 1 1 7 7 LYS N N 7 119.937 119.937 119.620 0.317 19155 1892 1 5 . 1 1 7 7 LYS HA H 7 4.014 4.014 3.958 0.056 19155 1893 1 5 . 1 1 7 7 LYS C C 7 178.977 178.977 178.967 0.010 19155 1894 1 5 . 1 1 7 7 LYS CA C 7 59.793 59.793 59.609 0.184 19155 1895 1 5 . 1 1 7 7 LYS CB C 7 32.850 32.850 32.416 0.434 19155 1896 1 5 . 1 1 7 7 LYS H H 7 7.950 7.950 8.212 -0.262 19155 1897 1 5 . 1 1 8 8 ALA N N 8 122.436 122.436 121.635 0.801 19155 1898 1 5 . 1 1 8 8 ALA HA H 8 4.478 4.478 4.145 0.333 19155 1899 1 5 . 1 1 8 8 ALA C C 8 178.764 178.764 179.326 -0.562 19155 1900 1 5 . 1 1 8 8 ALA CA C 8 55.168 55.168 54.988 0.180 19155 1901 1 5 . 1 1 8 8 ALA CB C 8 19.502 19.502 18.543 0.959 19155 1902 1 5 . 1 1 8 8 ALA H H 8 7.976 7.976 7.936 0.040 19155 1903 1 5 . 1 1 9 9 ARG N N 9 118.059 118.059 117.225 0.834 19155 1904 1 5 . 1 1 9 9 ARG HA H 9 3.801 3.801 3.977 -0.176 19155 1905 1 5 . 1 1 9 9 ARG C C 9 177.874 177.874 178.532 -0.658 19155 1906 1 5 . 1 1 9 9 ARG CA C 9 59.794 59.794 59.107 0.687 19155 1907 1 5 . 1 1 9 9 ARG CB C 9 29.989 29.989 29.681 0.308 19155 1908 1 5 . 1 1 9 9 ARG H H 9 8.489 8.489 8.448 0.041 19155 1909 1 5 . 1 1 10 10 LYS N N 10 118.064 118.064 119.293 -1.229 19155 1910 1 5 . 1 1 10 10 LYS HA H 10 4.138 4.138 4.072 0.066 19155 1911 1 5 . 1 1 10 10 LYS C C 10 178.619 178.619 179.024 -0.405 19155 1912 1 5 . 1 1 10 10 LYS CA C 10 59.421 59.421 58.781 0.640 19155 1913 1 5 . 1 1 10 10 LYS CB C 10 32.467 32.467 31.958 0.509 19155 1914 1 5 . 1 1 10 10 LYS H H 10 7.833 7.833 8.376 -0.543 19155 1915 1 5 . 1 1 11 11 GLU N N 11 118.845 118.845 119.485 -0.640 19155 1916 1 5 . 1 1 11 11 GLU HA H 11 4.107 4.107 4.162 -0.055 19155 1917 1 5 . 1 1 11 11 GLU C C 11 180.137 180.137 178.985 1.152 19155 1918 1 5 . 1 1 11 11 GLU CA C 11 59.803 59.803 59.391 0.412 19155 1919 1 5 . 1 1 11 11 GLU CB C 11 29.248 29.248 29.503 -0.255 19155 1920 1 5 . 1 1 11 11 GLU H H 11 7.991 7.991 7.970 0.021 19155 1921 1 5 . 1 1 12 12 VAL N N 12 120.562 120.562 117.137 3.425 19155 1922 1 5 . 1 1 12 12 VAL HA H 12 3.851 3.851 3.838 0.013 19155 1923 1 5 . 1 1 12 12 VAL C C 12 178.182 178.182 177.860 0.322 19155 1924 1 5 . 1 1 12 12 VAL CA C 12 66.625 66.625 66.123 0.502 19155 1925 1 5 . 1 1 12 12 VAL CB C 12 31.784 31.784 30.722 1.062 19155 1926 1 5 . 1 1 12 12 VAL H H 12 8.173 8.173 7.909 0.264 19155 1927 1 5 . 1 1 13 13 GLU N N 13 117.912 117.912 121.829 -3.917 19155 1928 1 5 . 1 1 13 13 GLU HA H 13 3.841 3.841 3.937 -0.096 19155 1929 1 5 . 1 1 13 13 GLU C C 13 179.959 179.959 179.169 0.790 19155 1930 1 5 . 1 1 13 13 GLU CA C 13 60.498 60.498 60.625 -0.127 19155 1931 1 5 . 1 1 13 13 GLU CB C 13 30.014 30.014 29.416 0.598 19155 1932 1 5 . 1 1 13 13 GLU H H 13 8.624 8.624 8.461 0.163 19155 1933 1 5 . 1 1 14 14 GLU N N 14 117.909 117.909 119.810 -1.901 19155 1934 1 5 . 1 1 14 14 GLU HA H 14 4.025 4.025 4.028 -0.003 19155 1935 1 5 . 1 1 14 14 GLU C C 14 179.020 179.020 179.041 -0.021 19155 1936 1 5 . 1 1 14 14 GLU CA C 14 59.442 59.442 59.379 0.063 19155 1937 1 5 . 1 1 14 14 GLU CB C 14 29.257 29.257 29.627 -0.370 19155 1938 1 5 . 1 1 14 14 GLU H H 14 8.904 8.904 8.208 0.696 19155 1939 1 5 . 1 1 15 15 TYR N N 15 122.592 122.592 120.897 1.695 19155 1940 1 5 . 1 1 15 15 TYR HA H 15 4.359 4.359 4.136 0.223 19155 1941 1 5 . 1 1 15 15 TYR C C 15 177.581 177.581 177.923 -0.342 19155 1942 1 5 . 1 1 15 15 TYR CA C 15 62.430 62.430 62.096 0.334 19155 1943 1 5 . 1 1 15 15 TYR CB C 15 38.541 38.541 38.588 -0.047 19155 1944 1 5 . 1 1 15 15 TYR H H 15 8.170 8.170 8.376 -0.206 19155 1945 1 5 . 1 1 16 16 VAL N N 16 116.497 116.497 119.597 -3.100 19155 1946 1 5 . 1 1 16 16 VAL HA H 16 3.386 3.386 3.555 -0.169 19155 1947 1 5 . 1 1 16 16 VAL C C 16 177.221 177.221 177.642 -0.421 19155 1948 1 5 . 1 1 16 16 VAL CA C 16 68.053 68.053 66.709 1.344 19155 1949 1 5 . 1 1 16 16 VAL CB C 16 31.427 31.427 31.573 -0.146 19155 1950 1 5 . 1 1 16 16 VAL H H 16 7.953 7.953 8.205 -0.252 19155 1951 1 5 . 1 1 17 17 LYS N N 17 118.530 118.530 119.378 -0.848 19155 1952 1 5 . 1 1 17 17 LYS HA H 17 3.922 3.922 3.936 -0.014 19155 1953 1 5 . 1 1 17 17 LYS C C 17 179.742 179.742 179.034 0.708 19155 1954 1 5 . 1 1 17 17 LYS CA C 17 60.145 60.145 59.829 0.316 19155 1955 1 5 . 1 1 17 17 LYS CB C 17 32.827 32.827 32.052 0.775 19155 1956 1 5 . 1 1 17 17 LYS H H 17 8.274 8.274 8.437 -0.163 19155 1957 1 5 . 1 1 18 18 LYS N N 18 121.031 121.031 120.397 0.634 19155 1958 1 5 . 1 1 18 18 LYS HA H 18 4.018 4.018 3.975 0.043 19155 1959 1 5 . 1 1 18 18 LYS C C 18 178.962 178.962 178.368 0.594 19155 1960 1 5 . 1 1 18 18 LYS CA C 18 59.085 59.085 59.526 -0.441 19155 1961 1 5 . 1 1 18 18 LYS CB C 18 32.132 32.132 32.329 -0.197 19155 1962 1 5 . 1 1 18 18 LYS H H 18 7.946 7.946 8.061 -0.115 19155 1963 1 5 . 1 1 19 19 ILE N N 19 120.718 120.718 119.404 1.314 19155 1964 1 5 . 1 1 19 19 ILE HA H 19 3.727 3.727 3.785 -0.058 19155 1965 1 5 . 1 1 19 19 ILE C C 19 172.120 172.120 178.265 -6.145 19155 1966 1 5 . 1 1 19 19 ILE CA C 19 62.128 62.128 63.852 -1.724 19155 1967 1 5 . 1 1 19 19 ILE CB C 19 35.988 35.988 37.044 -1.056 19155 1968 1 5 . 1 1 19 19 ILE H H 19 7.796 7.796 7.817 -0.021 19155 1969 1 5 . 1 1 20 20 VAL N N 20 124.792 124.792 121.315 3.477 19155 1970 1 5 . 1 1 20 20 VAL HA H 20 3.312 3.312 3.602 -0.290 19155 1971 1 5 . 1 1 20 20 VAL C C 20 177.873 177.873 177.988 -0.115 19155 1972 1 5 . 1 1 20 20 VAL CA C 20 67.738 67.738 67.644 0.094 19155 1973 1 5 . 1 1 20 20 VAL CB C 20 31.772 31.772 30.843 0.929 19155 1974 1 5 . 1 1 20 20 VAL H H 20 9.190 9.190 8.839 0.351 19155 1975 1 5 . 1 1 21 21 GLY N N 21 106.034 106.034 106.513 -0.479 19155 1976 1 5 . 1 1 21 21 GLY C C 21 177.470 177.470 176.570 0.900 19155 1977 1 5 . 1 1 21 21 GLY CA C 21 47.226 47.226 47.107 0.119 19155 1978 1 5 . 1 1 21 21 GLY H H 21 8.117 8.117 7.611 0.506 19155 1979 1 5 . 1 1 22 22 GLU N N 22 122.282 122.282 122.447 -0.165 19155 1980 1 5 . 1 1 22 22 GLU HA H 22 4.104 4.104 4.004 0.100 19155 1981 1 5 . 1 1 22 22 GLU C C 22 178.827 178.827 179.102 -0.275 19155 1982 1 5 . 1 1 22 22 GLU CA C 22 59.016 59.016 59.439 -0.423 19155 1983 1 5 . 1 1 22 22 GLU CB C 22 29.619 29.619 29.193 0.426 19155 1984 1 5 . 1 1 22 22 GLU H H 22 8.197 8.197 8.549 -0.352 19155 1985 1 5 . 1 1 23 23 SER N N 23 116.812 116.812 116.579 0.233 19155 1986 1 5 . 1 1 23 23 SER HA H 23 4.201 4.201 4.131 0.070 19155 1987 1 5 . 1 1 23 23 SER C C 23 177.084 177.084 176.858 0.226 19155 1988 1 5 . 1 1 23 23 SER CA C 23 61.998 61.998 61.859 0.139 19155 1989 1 5 . 1 1 23 23 SER CB C 23 62.105 62.105 62.781 -0.676 19155 1990 1 5 . 1 1 23 23 SER H H 23 8.285 8.285 8.190 0.095 19155 1991 1 5 . 1 1 24 24 TYR N N 24 120.879 120.879 122.186 -1.307 19155 1992 1 5 . 1 1 24 24 TYR HA H 24 4.396 4.396 4.524 -0.128 19155 1993 1 5 . 1 1 24 24 TYR C C 24 178.846 178.846 178.599 0.247 19155 1994 1 5 . 1 1 24 24 TYR CA C 24 61.189 61.189 61.054 0.135 19155 1995 1 5 . 1 1 24 24 TYR CB C 24 37.866 37.866 38.071 -0.205 19155 1996 1 5 . 1 1 24 24 TYR H H 24 8.254 8.254 8.022 0.232 19155 1997 1 5 . 1 1 25 25 ALA N N 25 122.124 122.124 121.458 0.666 19155 1998 1 5 . 1 1 25 25 ALA HA H 25 4.251 4.251 4.145 0.106 19155 1999 1 5 . 1 1 25 25 ALA C C 25 178.999 178.999 178.635 0.364 19155 2000 1 5 . 1 1 25 25 ALA CA C 25 54.608 54.608 54.438 0.170 19155 2001 1 5 . 1 1 25 25 ALA CB C 25 18.108 18.108 18.532 -0.424 19155 2002 1 5 . 1 1 25 25 ALA H H 25 8.018 8.018 7.871 0.147 19155 2003 1 5 . 1 1 26 26 LYS N N 26 115.251 115.251 117.774 -2.523 19155 2004 1 5 . 1 1 26 26 LYS HA H 26 4.459 4.459 4.346 0.113 19155 2005 1 5 . 1 1 26 26 LYS C C 26 176.598 176.598 176.086 0.512 19155 2006 1 5 . 1 1 26 26 LYS CA C 26 56.209 56.209 56.675 -0.466 19155 2007 1 5 . 1 1 26 26 LYS CB C 26 33.191 33.191 32.664 0.527 19155 2008 1 5 . 1 1 26 26 LYS H H 26 7.533 7.533 8.331 -0.798 19155 2009 1 5 . 1 1 27 27 SER N N 27 115.400 115.400 113.837 1.563 19155 2010 1 5 . 1 1 27 27 SER HA H 27 4.332 4.332 4.866 -0.534 19155 2011 1 5 . 1 1 27 27 SER C C 27 174.768 174.768 173.326 1.442 19155 2012 1 5 . 1 1 27 27 SER CA C 27 58.808 58.808 57.071 1.737 19155 2013 1 5 . 1 1 27 27 SER CB C 27 63.397 63.397 65.440 -2.043 19155 2014 1 5 . 1 1 27 27 SER H H 27 7.570 7.570 7.676 -0.106 19155 2015 1 5 . 1 1 28 28 THR N N 28 114.468 114.468 114.577 -0.109 19155 2016 1 5 . 1 1 28 28 THR HA H 28 4.649 4.649 4.706 -0.057 19155 2017 1 5 . 1 1 28 28 THR CA C 28 60.242 60.242 61.237 -0.995 19155 2018 1 5 . 1 1 28 28 THR CB C 28 71.544 71.544 71.961 -0.417 19155 2019 1 5 . 1 1 28 28 THR H H 28 7.725 7.725 8.447 -0.722 19155 2020 1 5 . 1 1 29 29 LYS HA H 29 4.300 4.300 4.116 0.184 19155 2021 1 5 . 1 1 29 29 LYS CA C 29 57.974 57.974 59.585 -1.611 19155 2022 1 5 . 1 1 29 29 LYS CB C 29 32.820 32.820 32.002 0.818 19155 2023 1 5 . 1 1 30 30 LYS HA H 30 4.154 4.154 4.204 -0.050 19155 2024 1 5 . 1 1 30 30 LYS CA C 30 58.725 58.725 58.326 0.399 19155 2025 1 5 . 1 1 31 31 ARG HA H 31 4.533 4.533 4.638 -0.105 19155 2026 1 5 . 1 1 31 31 ARG CA C 31 56.137 56.137 54.666 1.471 19155 2027 1 5 . 1 1 31 31 ARG CB C 31 31.003 31.003 30.413 0.590 19155 2028 1 5 . 1 1 32 32 HIS HA H 32 4.570 4.570 4.435 0.135 19155 2029 1 5 . 1 1 32 32 HIS C C 32 176.136 176.136 176.341 -0.205 19155 2030 1 5 . 1 1 32 32 HIS CA C 32 58.689 58.689 59.722 -1.033 19155 2031 1 5 . 1 1 32 32 HIS CB C 32 30.731 30.731 28.711 2.020 19155 2032 1 5 . 1 1 33 33 THR N N 33 111.162 111.162 116.393 -5.231 19155 2033 1 5 . 1 1 33 33 THR HA H 33 3.976 3.976 3.732 0.244 19155 2034 1 5 . 1 1 33 33 THR C C 33 176.807 176.807 176.547 0.260 19155 2035 1 5 . 1 1 33 33 THR CA C 33 65.194 65.194 66.558 -1.363 19155 2036 1 5 . 1 1 33 33 THR CB C 33 68.428 68.428 68.278 0.149 19155 2037 1 5 . 1 1 33 33 THR H H 33 8.355 8.355 7.311 1.044 19155 2038 1 5 . 1 1 34 34 ILE N N 34 123.220 123.220 120.556 2.664 19155 2039 1 5 . 1 1 34 34 ILE HA H 34 4.047 4.047 3.984 0.063 19155 2040 1 5 . 1 1 34 34 ILE C C 34 176.944 176.944 177.637 -0.693 19155 2041 1 5 . 1 1 34 34 ILE CA C 34 63.746 63.746 63.727 0.019 19155 2042 1 5 . 1 1 34 34 ILE CB C 34 37.905 37.905 36.609 1.296 19155 2043 1 5 . 1 1 34 34 ILE H H 34 7.824 7.824 8.010 -0.186 19155 2044 1 5 . 1 1 35 35 THR N N 35 118.694 118.694 117.599 1.095 19155 2045 1 5 . 1 1 35 35 THR HA H 35 4.103 4.103 3.796 0.307 19155 2046 1 5 . 1 1 35 35 THR C C 35 175.385 175.385 176.983 -1.598 19155 2047 1 5 . 1 1 35 35 THR CA C 35 63.339 63.339 66.769 -3.430 19155 2048 1 5 . 1 1 35 35 THR CB C 35 68.428 68.428 68.211 0.217 19155 2049 1 5 . 1 1 35 35 THR H H 35 8.053 8.053 7.493 0.560 19155 2050 1 5 . 1 1 36 36 VAL N N 36 120.252 120.252 122.007 -1.755 19155 2051 1 5 . 1 1 36 36 VAL HA H 36 3.494 3.494 3.675 -0.181 19155 2052 1 5 . 1 1 36 36 VAL C C 36 177.667 177.667 177.955 -0.288 19155 2053 1 5 . 1 1 36 36 VAL CA C 36 66.312 66.312 66.333 -0.021 19155 2054 1 5 . 1 1 36 36 VAL CB C 36 31.787 31.787 31.312 0.475 19155 2055 1 5 . 1 1 36 36 VAL H H 36 8.148 8.148 8.640 -0.492 19155 2056 1 5 . 1 1 37 37 ALA N N 37 121.815 121.815 123.103 -1.288 19155 2057 1 5 . 1 1 37 37 ALA HA H 37 4.168 4.168 4.094 0.074 19155 2058 1 5 . 1 1 37 37 ALA C C 37 180.404 180.404 179.394 1.010 19155 2059 1 5 . 1 1 37 37 ALA CA C 37 55.062 55.062 55.268 -0.206 19155 2060 1 5 . 1 1 37 37 ALA CB C 37 18.114 18.114 18.344 -0.230 19155 2061 1 5 . 1 1 37 37 ALA H H 37 7.526 7.526 7.385 0.141 19155 2062 1 5 . 1 1 38 38 LEU N N 38 122.124 122.124 119.403 2.721 19155 2063 1 5 . 1 1 38 38 LEU HA H 38 3.574 3.574 3.580 -0.006 19155 2064 1 5 . 1 1 38 38 LEU C C 38 177.815 177.815 178.554 -0.739 19155 2065 1 5 . 1 1 38 38 LEU CA C 38 57.671 57.671 57.146 0.525 19155 2066 1 5 . 1 1 38 38 LEU CB C 38 40.383 40.383 41.233 -0.850 19155 2067 1 5 . 1 1 38 38 LEU H H 38 7.987 7.987 7.620 0.367 19155 2068 1 5 . 1 1 39 39 VAL N N 39 119.627 119.627 118.777 0.850 19155 2069 1 5 . 1 1 39 39 VAL HA H 39 3.295 3.295 3.408 -0.113 19155 2070 1 5 . 1 1 39 39 VAL C C 39 178.084 178.084 177.554 0.530 19155 2071 1 5 . 1 1 39 39 VAL CA C 39 67.710 67.710 66.742 0.968 19155 2072 1 5 . 1 1 39 39 VAL CB C 39 31.393 31.393 31.206 0.187 19155 2073 1 5 . 1 1 39 39 VAL H H 39 8.410 8.410 8.529 -0.119 19155 2074 1 5 . 1 1 40 40 ASN N N 40 117.904 117.904 118.895 -0.991 19155 2075 1 5 . 1 1 40 40 ASN HA H 40 4.528 4.528 4.387 0.141 19155 2076 1 5 . 1 1 40 40 ASN C C 40 177.814 177.814 177.762 0.052 19155 2077 1 5 . 1 1 40 40 ASN CA C 40 56.214 56.214 56.899 -0.685 19155 2078 1 5 . 1 1 40 40 ASN CB C 40 37.990 37.990 38.394 -0.404 19155 2079 1 5 . 1 1 40 40 ASN H H 40 8.211 8.211 8.147 0.064 19155 2080 1 5 . 1 1 41 41 GLU N N 41 122.117 122.117 121.098 1.019 19155 2081 1 5 . 1 1 41 41 GLU HA H 41 4.330 4.330 4.164 0.166 19155 2082 1 5 . 1 1 41 41 GLU C C 41 179.186 179.186 178.708 0.478 19155 2083 1 5 . 1 1 41 41 GLU CA C 41 59.444 59.444 58.686 0.758 19155 2084 1 5 . 1 1 41 41 GLU CB C 41 28.935 28.935 29.384 -0.449 19155 2085 1 5 . 1 1 41 41 GLU H H 41 7.895 7.895 7.955 -0.060 19155 2086 1 5 . 1 1 42 42 LEU N N 42 118.997 118.997 119.853 -0.856 19155 2087 1 5 . 1 1 42 42 LEU HA H 42 4.036 4.036 3.846 0.190 19155 2088 1 5 . 1 1 42 42 LEU C C 42 179.072 179.072 179.213 -0.141 19155 2089 1 5 . 1 1 42 42 LEU CA C 42 58.028 58.028 58.174 -0.146 19155 2090 1 5 . 1 1 42 42 LEU CB C 42 41.053 41.053 41.444 -0.391 19155 2091 1 5 . 1 1 42 42 LEU H H 42 8.915 8.915 8.506 0.409 19155 2092 1 5 . 1 1 43 43 ASN N N 43 117.439 117.439 116.318 1.121 19155 2093 1 5 . 1 1 43 43 ASN HA H 43 4.560 4.560 4.439 0.121 19155 2094 1 5 . 1 1 43 43 ASN C C 43 177.692 177.692 177.169 0.523 19155 2095 1 5 . 1 1 43 43 ASN CA C 43 56.224 56.224 56.692 -0.468 19155 2096 1 5 . 1 1 43 43 ASN CB C 43 38.241 38.241 38.368 -0.127 19155 2097 1 5 . 1 1 43 43 ASN H H 43 8.436 8.436 8.246 0.190 19155 2098 1 5 . 1 1 44 44 ASN N N 44 121.188 121.188 119.894 1.294 19155 2099 1 5 . 1 1 44 44 ASN HA H 44 4.647 4.647 4.586 0.061 19155 2100 1 5 . 1 1 44 44 ASN C C 44 178.704 178.704 177.633 1.071 19155 2101 1 5 . 1 1 44 44 ASN CA C 44 56.233 56.233 55.912 0.321 19155 2102 1 5 . 1 1 44 44 ASN CB C 44 37.466 37.466 38.519 -1.053 19155 2103 1 5 . 1 1 44 44 ASN H H 44 8.079 8.079 7.678 0.401 19155 2104 1 5 . 1 1 45 45 ILE N N 45 124.315 124.315 120.888 3.427 19155 2105 1 5 . 1 1 45 45 ILE HA H 45 3.985 3.985 3.659 0.326 19155 2106 1 5 . 1 1 45 45 ILE C C 45 177.925 177.925 177.691 0.234 19155 2107 1 5 . 1 1 45 45 ILE CA C 45 65.578 65.578 65.599 -0.021 19155 2108 1 5 . 1 1 45 45 ILE CB C 45 38.903 38.903 37.688 1.215 19155 2109 1 5 . 1 1 45 45 ILE H H 45 8.533 8.533 8.541 -0.008 19155 2110 1 5 . 1 1 46 46 LYS N N 46 119.624 119.624 120.451 -0.827 19155 2111 1 5 . 1 1 46 46 LYS HA H 46 3.743 3.743 3.918 -0.175 19155 2112 1 5 . 1 1 46 46 LYS C C 46 177.699 177.699 179.027 -1.328 19155 2113 1 5 . 1 1 46 46 LYS CA C 46 60.161 60.161 60.237 -0.076 19155 2114 1 5 . 1 1 46 46 LYS CB C 46 31.420 31.420 32.363 -0.943 19155 2115 1 5 . 1 1 46 46 LYS H H 46 8.660 8.660 8.047 0.613 19155 2116 1 5 . 1 1 47 47 ASN N N 47 116.034 116.034 115.705 0.329 19155 2117 1 5 . 1 1 47 47 ASN HA H 47 4.468 4.468 4.723 -0.255 19155 2118 1 5 . 1 1 47 47 ASN C C 47 177.768 177.768 177.540 0.228 19155 2119 1 5 . 1 1 47 47 ASN CA C 47 56.538 56.538 54.763 1.775 19155 2120 1 5 . 1 1 47 47 ASN CB C 47 37.882 37.882 38.198 -0.316 19155 2121 1 5 . 1 1 47 47 ASN H H 47 8.344 8.344 8.324 0.020 19155 2122 1 5 . 1 1 48 48 GLU N N 48 121.665 121.665 123.273 -1.608 19155 2123 1 5 . 1 1 48 48 GLU HA H 48 4.044 4.044 3.959 0.085 19155 2124 1 5 . 1 1 48 48 GLU C C 48 179.915 179.915 178.483 1.432 19155 2125 1 5 . 1 1 48 48 GLU CA C 48 59.444 59.444 59.852 -0.408 19155 2126 1 5 . 1 1 48 48 GLU CB C 48 29.230 29.230 29.762 -0.532 19155 2127 1 5 . 1 1 48 48 GLU H H 48 8.301 8.301 8.383 -0.082 19155 2128 1 5 . 1 1 49 49 TYR N N 49 117.600 117.600 119.070 -1.470 19155 2129 1 5 . 1 1 49 49 TYR HA H 49 3.992 3.992 4.300 -0.308 19155 2130 1 5 . 1 1 49 49 TYR C C 49 178.275 178.275 178.264 0.011 19155 2131 1 5 . 1 1 49 49 TYR CA C 49 64.508 64.508 61.312 3.196 19155 2132 1 5 . 1 1 49 49 TYR CB C 49 37.881 37.881 38.423 -0.542 19155 2133 1 5 . 1 1 49 49 TYR H H 49 8.581 8.581 8.329 0.252 19155 2134 1 5 . 1 1 50 50 LEU N N 50 122.126 122.126 119.027 3.099 19155 2135 1 5 . 1 1 50 50 LEU HA H 50 4.181 4.181 3.847 0.334 19155 2136 1 5 . 1 1 50 50 LEU C C 50 180.089 180.089 178.703 1.386 19155 2137 1 5 . 1 1 50 50 LEU CA C 50 59.061 59.061 58.205 0.856 19155 2138 1 5 . 1 1 50 50 LEU CB C 50 40.096 40.096 41.350 -1.254 19155 2139 1 5 . 1 1 50 50 LEU H H 50 9.207 9.207 8.861 0.346 19155 2140 1 5 . 1 1 51 51 ASN N N 51 117.124 117.124 117.692 -0.568 19155 2141 1 5 . 1 1 51 51 ASN HA H 51 4.535 4.535 4.489 0.046 19155 2142 1 5 . 1 1 51 51 ASN C C 51 177.522 177.522 177.183 0.339 19155 2143 1 5 . 1 1 51 51 ASN CA C 51 56.240 56.240 56.052 0.188 19155 2144 1 5 . 1 1 51 51 ASN CB C 51 37.898 37.898 38.206 -0.308 19155 2145 1 5 . 1 1 51 51 ASN H H 51 7.634 7.634 7.843 -0.209 19155 2146 1 5 . 1 1 52 52 LYS N N 52 119.154 119.154 119.542 -0.388 19155 2147 1 5 . 1 1 52 52 LYS HA H 52 4.037 4.037 3.891 0.146 19155 2148 1 5 . 1 1 52 52 LYS C C 52 179.905 179.905 178.697 1.208 19155 2149 1 5 . 1 1 52 52 LYS CA C 52 59.803 59.803 59.287 0.516 19155 2150 1 5 . 1 1 52 52 LYS CB C 52 33.215 33.215 32.205 1.010 19155 2151 1 5 . 1 1 52 52 LYS H H 52 7.663 7.663 7.693 -0.030 19155 2152 1 5 . 1 1 53 53 ILE N N 53 121.662 121.662 118.234 3.428 19155 2153 1 5 . 1 1 53 53 ILE HA H 53 3.532 3.532 3.937 -0.405 19155 2154 1 5 . 1 1 53 53 ILE C C 53 178.489 178.489 178.562 -0.073 19155 2155 1 5 . 1 1 53 53 ILE CA C 53 65.906 65.906 64.325 1.581 19155 2156 1 5 . 1 1 53 53 ILE CB C 53 38.249 38.249 38.691 -0.442 19155 2157 1 5 . 1 1 53 53 ILE H H 53 8.493 8.493 8.138 0.355 19155 2158 1 5 . 1 1 54 54 VAL N N 54 119.477 119.477 121.868 -2.391 19155 2159 1 5 . 1 1 54 54 VAL HA H 54 3.647 3.647 3.645 0.002 19155 2160 1 5 . 1 1 54 54 VAL C C 54 176.683 176.683 176.625 0.058 19155 2161 1 5 . 1 1 54 54 VAL CA C 54 66.643 66.643 65.727 0.916 19155 2162 1 5 . 1 1 54 54 VAL CB C 54 31.448 31.448 32.348 -0.900 19155 2163 1 5 . 1 1 54 54 VAL H H 54 7.598 7.598 8.086 -0.488 19155 2164 1 5 . 1 1 55 55 GLU N N 55 114.467 114.467 117.363 -2.896 19155 2165 1 5 . 1 1 55 55 GLU HA H 55 4.281 4.281 4.281 0.000 19155 2166 1 5 . 1 1 55 55 GLU C C 55 176.914 176.914 176.038 0.876 19155 2167 1 5 . 1 1 55 55 GLU CA C 55 56.195 56.195 55.798 0.397 19155 2168 1 5 . 1 1 55 55 GLU CB C 55 30.354 30.354 29.329 1.024 19155 2169 1 5 . 1 1 55 55 GLU H H 55 7.064 7.064 7.979 -0.915 19155 2170 1 5 . 1 1 56 56 SER N N 56 116.806 116.806 114.634 2.172 19155 2171 1 5 . 1 1 56 56 SER HA H 56 4.435 4.435 4.480 -0.045 19155 2172 1 5 . 1 1 56 56 SER C C 56 175.566 175.566 174.329 1.237 19155 2173 1 5 . 1 1 56 56 SER CA C 56 60.163 60.163 58.765 1.398 19155 2174 1 5 . 1 1 56 56 SER CB C 56 64.439 64.439 64.106 0.333 19155 2175 1 5 . 1 1 56 56 SER H H 56 7.504 7.504 7.471 0.033 19155 2176 1 5 . 1 1 57 57 THR N N 57 111.347 111.347 118.152 -6.805 19155 2177 1 5 . 1 1 57 57 THR HA H 57 4.539 4.539 4.518 0.021 19155 2178 1 5 . 1 1 57 57 THR C C 57 174.424 174.424 173.369 1.055 19155 2179 1 5 . 1 1 57 57 THR CA C 57 61.518 61.518 61.529 -0.010 19155 2180 1 5 . 1 1 57 57 THR CB C 57 70.377 70.377 69.078 1.299 19155 2181 1 5 . 1 1 57 57 THR H H 57 9.083 9.083 8.601 0.482 19155 2182 1 5 . 1 1 58 58 SER N N 58 115.415 115.415 118.306 -2.891 19155 2183 1 5 . 1 1 58 58 SER HA H 58 5.059 5.059 4.800 0.259 19155 2184 1 5 . 1 1 58 58 SER C C 58 174.278 174.278 174.462 -0.184 19155 2185 1 5 . 1 1 58 58 SER CA C 58 56.928 56.928 57.306 -0.378 19155 2186 1 5 . 1 1 58 58 SER CB C 58 66.570 66.570 65.477 1.093 19155 2187 1 5 . 1 1 58 58 SER H H 58 7.689 7.689 7.669 0.020 19155 2188 1 5 . 1 1 59 59 GLU N N 59 124.305 124.305 127.887 -3.582 19155 2189 1 5 . 1 1 59 59 GLU HA H 59 3.990 3.990 3.966 0.024 19155 2190 1 5 . 1 1 59 59 GLU C C 59 179.113 179.113 177.661 1.452 19155 2191 1 5 . 1 1 59 59 GLU CA C 59 60.159 60.159 59.568 0.591 19155 2192 1 5 . 1 1 59 59 GLU CB C 59 29.616 29.616 28.953 0.663 19155 2193 1 5 . 1 1 59 59 GLU H H 59 9.719 9.719 9.103 0.616 19155 2194 1 5 . 1 1 60 60 SER N N 60 115.406 115.406 114.343 1.063 19155 2195 1 5 . 1 1 60 60 SER HA H 60 4.249 4.249 4.305 -0.056 19155 2196 1 5 . 1 1 60 60 SER C C 60 177.307 177.307 175.615 1.692 19155 2197 1 5 . 1 1 60 60 SER CA C 60 61.259 61.259 59.775 1.484 19155 2198 1 5 . 1 1 60 60 SER CB C 60 61.960 61.960 62.778 -0.818 19155 2199 1 5 . 1 1 60 60 SER H H 60 8.614 8.614 8.393 0.221 19155 2200 1 5 . 1 1 61 61 GLN N N 61 121.656 121.656 121.805 -0.149 19155 2201 1 5 . 1 1 61 61 GLN HA H 61 4.107 4.107 4.344 -0.237 19155 2202 1 5 . 1 1 61 61 GLN C C 61 178.777 178.777 177.199 1.578 19155 2203 1 5 . 1 1 61 61 GLN CA C 61 58.743 58.743 57.663 1.080 19155 2204 1 5 . 1 1 61 61 GLN CB C 61 28.900 28.900 29.022 -0.122 19155 2205 1 5 . 1 1 61 61 GLN H H 61 7.669 7.669 7.430 0.239 19155 2206 1 5 . 1 1 62 62 LEU N N 62 118.689 118.689 121.827 -3.138 19155 2207 1 5 . 1 1 62 62 LEU HA H 62 4.035 4.035 3.835 0.200 19155 2208 1 5 . 1 1 62 62 LEU C C 62 178.363 178.363 179.105 -0.742 19155 2209 1 5 . 1 1 62 62 LEU CA C 62 58.725 58.725 58.304 0.421 19155 2210 1 5 . 1 1 62 62 LEU CB C 62 41.836 41.836 41.892 -0.056 19155 2211 1 5 . 1 1 62 62 LEU H H 62 7.736 7.736 8.245 -0.509 19155 2212 1 5 . 1 1 63 63 GLN N N 63 117.441 117.441 115.739 1.702 19155 2213 1 5 . 1 1 63 63 GLN HA H 63 4.078 4.078 4.058 0.020 19155 2214 1 5 . 1 1 63 63 GLN C C 63 179.312 179.312 178.406 0.906 19155 2215 1 5 . 1 1 63 63 GLN CA C 63 59.062 59.062 58.373 0.689 19155 2216 1 5 . 1 1 63 63 GLN CB C 63 27.819 27.819 28.711 -0.892 19155 2217 1 5 . 1 1 63 63 GLN H H 63 7.943 7.943 7.816 0.127 19155 2218 1 5 . 1 1 64 64 ILE N N 64 120.406 120.406 119.735 0.671 19155 2219 1 5 . 1 1 64 64 ILE HA H 64 3.809 3.809 4.029 -0.220 19155 2220 1 5 . 1 1 64 64 ILE C C 64 178.734 178.734 177.412 1.322 19155 2221 1 5 . 1 1 64 64 ILE CA C 64 64.722 64.722 61.151 3.571 19155 2222 1 5 . 1 1 64 64 ILE CB C 64 37.971 37.971 37.067 0.904 19155 2223 1 5 . 1 1 64 64 ILE H H 64 7.544 7.544 7.831 -0.287 19155 2224 1 5 . 1 1 65 65 LEU N N 65 120.247 120.247 121.558 -1.311 19155 2225 1 5 . 1 1 65 65 LEU HA H 65 4.212 4.212 4.083 0.129 19155 2226 1 5 . 1 1 65 65 LEU C C 65 179.685 179.685 179.421 0.264 19155 2227 1 5 . 1 1 65 65 LEU CA C 65 58.004 58.004 58.270 -0.266 19155 2228 1 5 . 1 1 65 65 LEU CB C 65 42.553 42.553 40.400 2.154 19155 2229 1 5 . 1 1 65 65 LEU H H 65 8.361 8.361 7.940 0.421 19155 2230 1 5 . 1 1 66 66 MET N N 66 118.685 118.685 117.189 1.496 19155 2231 1 5 . 1 1 66 66 MET HA H 66 3.918 3.918 4.025 -0.107 19155 2232 1 5 . 1 1 66 66 MET C C 66 178.906 178.906 179.117 -0.211 19155 2233 1 5 . 1 1 66 66 MET CA C 66 59.467 59.467 59.398 0.069 19155 2234 1 5 . 1 1 66 66 MET CB C 66 33.519 33.519 32.235 1.284 19155 2235 1 5 . 1 1 66 66 MET H H 66 8.458 8.458 7.566 0.892 19155 2236 1 5 . 1 1 67 67 MET N N 67 118.685 118.685 118.673 0.012 19155 2237 1 5 . 1 1 67 67 MET HA H 67 4.098 4.098 3.946 0.152 19155 2238 1 5 . 1 1 67 67 MET C C 67 178.781 178.781 178.267 0.514 19155 2239 1 5 . 1 1 67 67 MET CA C 67 58.379 58.379 59.476 -1.097 19155 2240 1 5 . 1 1 67 67 MET CB C 67 32.031 32.031 32.285 -0.254 19155 2241 1 5 . 1 1 67 67 MET H H 67 7.559 7.559 7.747 -0.188 19155 2242 1 5 . 1 1 68 68 GLU N N 68 122.128 122.128 119.179 2.949 19155 2243 1 5 . 1 1 68 68 GLU HA H 68 3.990 3.990 4.009 -0.019 19155 2244 1 5 . 1 1 68 68 GLU C C 68 178.803 178.803 179.407 -0.604 19155 2245 1 5 . 1 1 68 68 GLU CA C 68 59.459 59.459 59.624 -0.165 19155 2246 1 5 . 1 1 68 68 GLU CB C 68 30.706 30.706 29.398 1.308 19155 2247 1 5 . 1 1 68 68 GLU H H 68 8.895 8.895 8.519 0.376 19155 2248 1 5 . 1 1 69 69 SER N N 69 114.769 114.769 115.070 -0.301 19155 2249 1 5 . 1 1 69 69 SER HA H 69 2.872 2.872 3.456 -0.584 19155 2250 1 5 . 1 1 69 69 SER C C 69 175.801 175.801 176.109 -0.308 19155 2251 1 5 . 1 1 69 69 SER CA C 69 62.000 62.000 61.366 0.634 19155 2252 1 5 . 1 1 69 69 SER CB C 69 62.282 62.282 62.357 -0.075 19155 2253 1 5 . 1 1 69 69 SER H H 69 8.161 8.161 8.153 0.008 19155 2254 1 5 . 1 1 70 70 ARG N N 70 120.552 120.552 122.191 -1.639 19155 2255 1 5 . 1 1 70 70 ARG HA H 70 3.744 3.744 3.650 0.094 19155 2256 1 5 . 1 1 70 70 ARG C C 70 177.654 177.654 178.393 -0.739 19155 2257 1 5 . 1 1 70 70 ARG CA C 70 59.793 59.793 59.396 0.397 19155 2258 1 5 . 1 1 70 70 ARG CB C 70 29.974 29.974 29.517 0.457 19155 2259 1 5 . 1 1 70 70 ARG H H 70 6.945 6.945 7.861 -0.916 19155 2260 1 5 . 1 1 71 71 SER N N 71 113.064 113.064 114.699 -1.635 19155 2261 1 5 . 1 1 71 71 SER HA H 71 4.275 4.275 4.026 0.249 19155 2262 1 5 . 1 1 71 71 SER C C 71 177.491 177.491 176.150 1.341 19155 2263 1 5 . 1 1 71 71 SER CA C 71 61.571 61.571 61.989 -0.418 19155 2264 1 5 . 1 1 71 71 SER CB C 71 62.710 62.710 62.881 -0.171 19155 2265 1 5 . 1 1 71 71 SER H H 71 7.721 7.721 8.248 -0.527 19155 2266 1 5 . 1 1 72 72 LYS N N 72 121.657 121.657 121.555 0.102 19155 2267 1 5 . 1 1 72 72 LYS HA H 72 4.170 4.170 4.053 0.117 19155 2268 1 5 . 1 1 72 72 LYS C C 72 180.429 180.429 179.018 1.411 19155 2269 1 5 . 1 1 72 72 LYS CA C 72 58.725 58.725 59.198 -0.473 19155 2270 1 5 . 1 1 72 72 LYS CB C 72 32.131 32.131 32.397 -0.266 19155 2271 1 5 . 1 1 72 72 LYS H H 72 8.414 8.414 7.369 1.045 19155 2272 1 5 . 1 1 73 73 VAL N N 73 123.222 123.222 120.261 2.961 19155 2273 1 5 . 1 1 73 73 VAL HA H 73 3.598 3.598 3.619 -0.021 19155 2274 1 5 . 1 1 73 73 VAL C C 73 176.929 176.929 177.645 -0.716 19155 2275 1 5 . 1 1 73 73 VAL CA C 73 66.975 66.975 66.886 0.089 19155 2276 1 5 . 1 1 73 73 VAL CB C 73 31.704 31.704 31.309 0.395 19155 2277 1 5 . 1 1 73 73 VAL H H 73 8.421 8.421 8.303 0.118 19155 2278 1 5 . 1 1 74 74 ASP N N 74 120.101 120.101 119.702 0.399 19155 2279 1 5 . 1 1 74 74 ASP HA H 74 4.393 4.393 4.480 -0.087 19155 2280 1 5 . 1 1 74 74 ASP C C 74 180.001 180.001 178.690 1.311 19155 2281 1 5 . 1 1 74 74 ASP CA C 74 57.324 57.324 57.826 -0.502 19155 2282 1 5 . 1 1 74 74 ASP CB C 74 39.326 39.326 40.883 -1.557 19155 2283 1 5 . 1 1 74 74 ASP H H 74 8.674 8.674 8.016 0.658 19155 2284 1 5 . 1 1 75 75 GLU N N 75 121.349 121.349 121.335 0.014 19155 2285 1 5 . 1 1 75 75 GLU HA H 75 4.113 4.113 3.948 0.165 19155 2286 1 5 . 1 1 75 75 GLU C C 75 178.732 178.732 178.529 0.203 19155 2287 1 5 . 1 1 75 75 GLU CA C 75 59.083 59.083 59.435 -0.352 19155 2288 1 5 . 1 1 75 75 GLU CB C 75 29.975 29.975 29.628 0.347 19155 2289 1 5 . 1 1 75 75 GLU H H 75 8.475 8.475 8.393 0.082 19155 2290 1 5 . 1 1 76 76 ALA N N 76 124.160 124.160 122.412 1.748 19155 2291 1 5 . 1 1 76 76 ALA HA H 76 4.281 4.281 4.161 0.120 19155 2292 1 5 . 1 1 76 76 ALA C C 76 179.906 179.906 179.977 -0.071 19155 2293 1 5 . 1 1 76 76 ALA CA C 76 55.530 55.530 55.354 0.176 19155 2294 1 5 . 1 1 76 76 ALA CB C 76 17.424 17.424 18.255 -0.831 19155 2295 1 5 . 1 1 76 76 ALA H H 76 7.944 7.944 8.269 -0.325 19155 2296 1 5 . 1 1 77 77 VAL N N 77 117.439 117.439 117.688 -0.249 19155 2297 1 5 . 1 1 77 77 VAL HA H 77 3.644 3.644 3.636 0.008 19155 2298 1 5 . 1 1 77 77 VAL C C 77 178.784 178.784 178.198 0.586 19155 2299 1 5 . 1 1 77 77 VAL CA C 77 66.958 66.958 65.849 1.109 19155 2300 1 5 . 1 1 77 77 VAL CB C 77 31.807 31.807 30.768 1.039 19155 2301 1 5 . 1 1 77 77 VAL H H 77 8.204 8.204 7.556 0.648 19155 2302 1 5 . 1 1 78 78 SER N N 78 113.687 113.687 115.209 -1.522 19155 2303 1 5 . 1 1 78 78 SER HA H 78 4.266 4.266 4.381 -0.115 19155 2304 1 5 . 1 1 78 78 SER C C 78 176.762 176.762 175.801 0.961 19155 2305 1 5 . 1 1 78 78 SER CA C 78 61.241 61.241 61.410 -0.169 19155 2306 1 5 . 1 1 78 78 SER CB C 78 62.678 62.678 63.174 -0.496 19155 2307 1 5 . 1 1 78 78 SER H H 78 7.935 7.935 8.357 -0.422 19155 2308 1 5 . 1 1 79 79 LYS N N 79 121.029 121.029 119.272 1.757 19155 2309 1 5 . 1 1 79 79 LYS HA H 79 4.070 4.070 4.159 -0.089 19155 2310 1 5 . 1 1 79 79 LYS C C 79 178.135 178.135 179.342 -1.207 19155 2311 1 5 . 1 1 79 79 LYS CA C 79 58.723 58.723 58.944 -0.221 19155 2312 1 5 . 1 1 79 79 LYS CB C 79 32.489 32.489 32.692 -0.203 19155 2313 1 5 . 1 1 79 79 LYS H H 79 7.989 7.989 7.948 0.041 19155 2314 1 5 . 1 1 80 80 PHE N N 80 117.437 117.437 118.371 -0.934 19155 2315 1 5 . 1 1 80 80 PHE HA H 80 4.490 4.490 4.431 0.059 19155 2316 1 5 . 1 1 80 80 PHE C C 80 176.236 176.236 177.210 -0.974 19155 2317 1 5 . 1 1 80 80 PHE CA C 80 59.444 59.444 59.879 -0.435 19155 2318 1 5 . 1 1 80 80 PHE CB C 80 40.032 40.032 39.623 0.409 19155 2319 1 5 . 1 1 80 80 PHE H H 80 7.838 7.838 7.931 -0.093 19155 2320 1 5 . 1 1 81 81 GLU N N 81 120.092 120.092 115.727 4.365 19155 2321 1 5 . 1 1 81 81 GLU HA H 81 4.290 4.290 4.387 -0.097 19155 2322 1 5 . 1 1 81 81 GLU C C 81 175.715 175.715 176.723 -1.008 19155 2323 1 5 . 1 1 81 81 GLU CA C 81 56.928 56.928 55.625 1.303 19155 2324 1 5 . 1 1 81 81 GLU CB C 81 29.997 29.997 29.570 0.427 19155 2325 1 5 . 1 1 81 81 GLU H H 81 7.864 7.864 8.721 -0.857 19155 2326 1 6 . 1 1 2 2 ASP N N 2 119.961 119.961 121.419 -1.458 19155 2327 1 6 . 1 1 2 2 ASP HA H 2 4.440 4.440 4.596 -0.156 19155 2328 1 6 . 1 1 2 2 ASP C C 2 178.594 178.594 177.666 0.928 19155 2329 1 6 . 1 1 2 2 ASP CA C 2 57.997 57.997 56.973 1.024 19155 2330 1 6 . 1 1 2 2 ASP CB C 2 40.098 40.098 41.005 -0.907 19155 2331 1 6 . 1 1 2 2 ASP H H 2 8.260 8.260 8.888 -0.628 19155 2332 1 6 . 1 1 3 3 SER N N 3 115.401 115.401 114.298 1.103 19155 2333 1 6 . 1 1 3 3 SER HA H 3 4.358 4.358 4.268 0.090 19155 2334 1 6 . 1 1 3 3 SER C C 3 177.657 177.657 176.100 1.557 19155 2335 1 6 . 1 1 3 3 SER CA C 3 60.656 60.656 60.578 0.078 19155 2336 1 6 . 1 1 3 3 SER CB C 3 62.319 62.319 63.039 -0.720 19155 2337 1 6 . 1 1 3 3 SER H H 3 8.112 8.112 8.235 -0.123 19155 2338 1 6 . 1 1 4 4 GLU N N 4 122.287 122.287 121.909 0.378 19155 2339 1 6 . 1 1 4 4 GLU HA H 4 4.045 4.045 4.184 -0.139 19155 2340 1 6 . 1 1 4 4 GLU C C 4 180.035 180.035 178.630 1.405 19155 2341 1 6 . 1 1 4 4 GLU CA C 4 59.072 59.072 58.456 0.616 19155 2342 1 6 . 1 1 4 4 GLU CB C 4 28.538 28.538 29.613 -1.075 19155 2343 1 6 . 1 1 4 4 GLU H H 4 8.472 8.472 8.265 0.207 19155 2344 1 6 . 1 1 5 5 ARG N N 5 121.026 121.026 118.640 2.386 19155 2345 1 6 . 1 1 5 5 ARG HA H 5 3.894 3.894 4.091 -0.197 19155 2346 1 6 . 1 1 5 5 ARG C C 5 178.298 178.298 178.306 -0.008 19155 2347 1 6 . 1 1 5 5 ARG CA C 5 60.564 60.564 58.711 1.853 19155 2348 1 6 . 1 1 5 5 ARG CB C 5 30.681 30.681 29.338 1.343 19155 2349 1 6 . 1 1 5 5 ARG H H 5 8.771 8.771 8.217 0.554 19155 2350 1 6 . 1 1 6 6 ASP N N 6 119.775 119.775 119.109 0.666 19155 2351 1 6 . 1 1 6 6 ASP HA H 6 4.455 4.455 4.496 -0.041 19155 2352 1 6 . 1 1 6 6 ASP C C 6 178.676 178.676 178.048 0.628 19155 2353 1 6 . 1 1 6 6 ASP CA C 6 57.956 57.956 56.721 1.235 19155 2354 1 6 . 1 1 6 6 ASP CB C 6 40.774 40.774 40.796 -0.022 19155 2355 1 6 . 1 1 6 6 ASP H H 6 7.889 7.889 8.563 -0.674 19155 2356 1 6 . 1 1 7 7 LYS N N 7 119.937 119.937 119.636 0.301 19155 2357 1 6 . 1 1 7 7 LYS HA H 7 4.014 4.014 4.162 -0.148 19155 2358 1 6 . 1 1 7 7 LYS C C 7 178.977 178.977 178.404 0.573 19155 2359 1 6 . 1 1 7 7 LYS CA C 7 59.793 59.793 58.879 0.914 19155 2360 1 6 . 1 1 7 7 LYS CB C 7 32.850 32.850 32.585 0.265 19155 2361 1 6 . 1 1 7 7 LYS H H 7 7.950 7.950 7.651 0.299 19155 2362 1 6 . 1 1 8 8 ALA N N 8 122.436 122.436 122.622 -0.186 19155 2363 1 6 . 1 1 8 8 ALA HA H 8 4.478 4.478 4.116 0.362 19155 2364 1 6 . 1 1 8 8 ALA C C 8 178.764 178.764 179.443 -0.679 19155 2365 1 6 . 1 1 8 8 ALA CA C 8 55.168 55.168 55.098 0.070 19155 2366 1 6 . 1 1 8 8 ALA CB C 8 19.502 19.502 18.435 1.067 19155 2367 1 6 . 1 1 8 8 ALA H H 8 7.976 7.976 8.318 -0.342 19155 2368 1 6 . 1 1 9 9 ARG N N 9 118.059 118.059 115.762 2.297 19155 2369 1 6 . 1 1 9 9 ARG HA H 9 3.801 3.801 4.067 -0.266 19155 2370 1 6 . 1 1 9 9 ARG C C 9 177.874 177.874 178.090 -0.216 19155 2371 1 6 . 1 1 9 9 ARG CA C 9 59.794 59.794 59.013 0.781 19155 2372 1 6 . 1 1 9 9 ARG CB C 9 29.989 29.989 29.904 0.085 19155 2373 1 6 . 1 1 9 9 ARG H H 9 8.489 8.489 8.285 0.204 19155 2374 1 6 . 1 1 10 10 LYS N N 10 118.064 118.064 120.123 -2.059 19155 2375 1 6 . 1 1 10 10 LYS HA H 10 4.138 4.138 4.246 -0.108 19155 2376 1 6 . 1 1 10 10 LYS C C 10 178.619 178.619 178.529 0.090 19155 2377 1 6 . 1 1 10 10 LYS CA C 10 59.421 59.421 58.531 0.890 19155 2378 1 6 . 1 1 10 10 LYS CB C 10 32.467 32.467 32.203 0.264 19155 2379 1 6 . 1 1 10 10 LYS H H 10 7.833 7.833 7.707 0.126 19155 2380 1 6 . 1 1 11 11 GLU N N 11 118.845 118.845 120.457 -1.612 19155 2381 1 6 . 1 1 11 11 GLU HA H 11 4.107 4.107 4.087 0.020 19155 2382 1 6 . 1 1 11 11 GLU C C 11 180.137 180.137 178.924 1.213 19155 2383 1 6 . 1 1 11 11 GLU CA C 11 59.803 59.803 59.288 0.515 19155 2384 1 6 . 1 1 11 11 GLU CB C 11 29.248 29.248 29.355 -0.107 19155 2385 1 6 . 1 1 11 11 GLU H H 11 7.991 7.991 8.328 -0.337 19155 2386 1 6 . 1 1 12 12 VAL N N 12 120.562 120.562 114.108 6.454 19155 2387 1 6 . 1 1 12 12 VAL HA H 12 3.851 3.851 3.794 0.057 19155 2388 1 6 . 1 1 12 12 VAL C C 12 178.182 178.182 177.698 0.484 19155 2389 1 6 . 1 1 12 12 VAL CA C 12 66.625 66.625 65.770 0.855 19155 2390 1 6 . 1 1 12 12 VAL CB C 12 31.784 31.784 31.546 0.238 19155 2391 1 6 . 1 1 12 12 VAL H H 12 8.173 8.173 7.432 0.741 19155 2392 1 6 . 1 1 13 13 GLU N N 13 117.912 117.912 121.598 -3.686 19155 2393 1 6 . 1 1 13 13 GLU HA H 13 3.841 3.841 3.974 -0.133 19155 2394 1 6 . 1 1 13 13 GLU C C 13 179.959 179.959 178.894 1.065 19155 2395 1 6 . 1 1 13 13 GLU CA C 13 60.498 60.498 60.087 0.411 19155 2396 1 6 . 1 1 13 13 GLU CB C 13 30.014 30.014 29.491 0.523 19155 2397 1 6 . 1 1 13 13 GLU H H 13 8.624 8.624 7.693 0.931 19155 2398 1 6 . 1 1 14 14 GLU N N 14 117.909 117.909 119.109 -1.200 19155 2399 1 6 . 1 1 14 14 GLU HA H 14 4.025 4.025 4.128 -0.103 19155 2400 1 6 . 1 1 14 14 GLU C C 14 179.020 179.020 178.868 0.152 19155 2401 1 6 . 1 1 14 14 GLU CA C 14 59.442 59.442 58.759 0.683 19155 2402 1 6 . 1 1 14 14 GLU CB C 14 29.257 29.257 29.459 -0.202 19155 2403 1 6 . 1 1 14 14 GLU H H 14 8.904 8.904 8.453 0.451 19155 2404 1 6 . 1 1 15 15 TYR N N 15 122.592 122.592 121.611 0.981 19155 2405 1 6 . 1 1 15 15 TYR HA H 15 4.359 4.359 4.264 0.095 19155 2406 1 6 . 1 1 15 15 TYR C C 15 177.581 177.581 177.441 0.140 19155 2407 1 6 . 1 1 15 15 TYR CA C 15 62.430 62.430 61.815 0.615 19155 2408 1 6 . 1 1 15 15 TYR CB C 15 38.541 38.541 38.636 -0.095 19155 2409 1 6 . 1 1 15 15 TYR H H 15 8.170 8.170 7.723 0.447 19155 2410 1 6 . 1 1 16 16 VAL N N 16 116.497 116.497 119.422 -2.925 19155 2411 1 6 . 1 1 16 16 VAL HA H 16 3.386 3.386 3.432 -0.046 19155 2412 1 6 . 1 1 16 16 VAL C C 16 177.221 177.221 178.039 -0.818 19155 2413 1 6 . 1 1 16 16 VAL CA C 16 68.053 68.053 67.322 0.731 19155 2414 1 6 . 1 1 16 16 VAL CB C 16 31.427 31.427 31.485 -0.058 19155 2415 1 6 . 1 1 16 16 VAL H H 16 7.953 7.953 8.418 -0.465 19155 2416 1 6 . 1 1 17 17 LYS N N 17 118.530 118.530 118.163 0.367 19155 2417 1 6 . 1 1 17 17 LYS HA H 17 3.922 3.922 3.974 -0.052 19155 2418 1 6 . 1 1 17 17 LYS C C 17 179.742 179.742 178.410 1.332 19155 2419 1 6 . 1 1 17 17 LYS CA C 17 60.145 60.145 59.841 0.304 19155 2420 1 6 . 1 1 17 17 LYS CB C 17 32.827 32.827 31.913 0.913 19155 2421 1 6 . 1 1 17 17 LYS H H 17 8.274 8.274 8.649 -0.375 19155 2422 1 6 . 1 1 18 18 LYS N N 18 121.031 121.031 120.816 0.215 19155 2423 1 6 . 1 1 18 18 LYS HA H 18 4.018 4.018 4.095 -0.077 19155 2424 1 6 . 1 1 18 18 LYS C C 18 178.962 178.962 178.600 0.362 19155 2425 1 6 . 1 1 18 18 LYS CA C 18 59.085 59.085 59.282 -0.197 19155 2426 1 6 . 1 1 18 18 LYS CB C 18 32.132 32.132 32.331 -0.199 19155 2427 1 6 . 1 1 18 18 LYS H H 18 7.946 7.946 7.340 0.606 19155 2428 1 6 . 1 1 19 19 ILE N N 19 120.718 120.718 120.275 0.443 19155 2429 1 6 . 1 1 19 19 ILE HA H 19 3.727 3.727 3.600 0.127 19155 2430 1 6 . 1 1 19 19 ILE C C 19 172.120 172.120 178.314 -6.194 19155 2431 1 6 . 1 1 19 19 ILE CA C 19 62.128 62.128 64.314 -2.186 19155 2432 1 6 . 1 1 19 19 ILE CB C 19 35.988 35.988 36.905 -0.917 19155 2433 1 6 . 1 1 19 19 ILE H H 19 7.796 7.796 8.344 -0.548 19155 2434 1 6 . 1 1 20 20 VAL N N 20 124.792 124.792 120.911 3.881 19155 2435 1 6 . 1 1 20 20 VAL HA H 20 3.312 3.312 3.413 -0.101 19155 2436 1 6 . 1 1 20 20 VAL C C 20 177.873 177.873 178.250 -0.377 19155 2437 1 6 . 1 1 20 20 VAL CA C 20 67.738 67.738 66.906 0.832 19155 2438 1 6 . 1 1 20 20 VAL CB C 20 31.772 31.772 31.474 0.298 19155 2439 1 6 . 1 1 20 20 VAL H H 20 9.190 9.190 8.667 0.523 19155 2440 1 6 . 1 1 21 21 GLY N N 21 106.034 106.034 106.442 -0.408 19155 2441 1 6 . 1 1 21 21 GLY C C 21 177.470 177.470 176.568 0.902 19155 2442 1 6 . 1 1 21 21 GLY CA C 21 47.226 47.226 47.272 -0.046 19155 2443 1 6 . 1 1 21 21 GLY H H 21 8.117 8.117 8.130 -0.013 19155 2444 1 6 . 1 1 22 22 GLU N N 22 122.282 122.282 120.923 1.359 19155 2445 1 6 . 1 1 22 22 GLU HA H 22 4.104 4.104 4.251 -0.147 19155 2446 1 6 . 1 1 22 22 GLU C C 22 178.827 178.827 178.871 -0.044 19155 2447 1 6 . 1 1 22 22 GLU CA C 22 59.016 59.016 58.465 0.551 19155 2448 1 6 . 1 1 22 22 GLU CB C 22 29.619 29.619 29.184 0.435 19155 2449 1 6 . 1 1 22 22 GLU H H 22 8.197 8.197 8.551 -0.354 19155 2450 1 6 . 1 1 23 23 SER N N 23 116.812 116.812 115.264 1.548 19155 2451 1 6 . 1 1 23 23 SER HA H 23 4.201 4.201 4.265 -0.064 19155 2452 1 6 . 1 1 23 23 SER C C 23 177.084 177.084 176.122 0.962 19155 2453 1 6 . 1 1 23 23 SER CA C 23 61.998 61.998 59.593 2.405 19155 2454 1 6 . 1 1 23 23 SER CB C 23 62.105 62.105 62.278 -0.173 19155 2455 1 6 . 1 1 23 23 SER H H 23 8.285 8.285 8.236 0.049 19155 2456 1 6 . 1 1 24 24 TYR N N 24 120.879 120.879 121.854 -0.975 19155 2457 1 6 . 1 1 24 24 TYR HA H 24 4.396 4.396 4.521 -0.125 19155 2458 1 6 . 1 1 24 24 TYR C C 24 178.846 178.846 178.038 0.808 19155 2459 1 6 . 1 1 24 24 TYR CA C 24 61.189 61.189 60.667 0.522 19155 2460 1 6 . 1 1 24 24 TYR CB C 24 37.866 37.866 37.988 -0.122 19155 2461 1 6 . 1 1 24 24 TYR H H 24 8.254 8.254 7.849 0.405 19155 2462 1 6 . 1 1 25 25 ALA N N 25 122.124 122.124 122.185 -0.061 19155 2463 1 6 . 1 1 25 25 ALA HA H 25 4.251 4.251 4.171 0.080 19155 2464 1 6 . 1 1 25 25 ALA C C 25 178.999 178.999 178.303 0.696 19155 2465 1 6 . 1 1 25 25 ALA CA C 25 54.608 54.608 54.508 0.100 19155 2466 1 6 . 1 1 25 25 ALA CB C 25 18.108 18.108 18.721 -0.613 19155 2467 1 6 . 1 1 25 25 ALA H H 25 8.018 8.018 7.762 0.256 19155 2468 1 6 . 1 1 26 26 LYS N N 26 115.251 115.251 116.424 -1.173 19155 2469 1 6 . 1 1 26 26 LYS HA H 26 4.459 4.459 4.338 0.121 19155 2470 1 6 . 1 1 26 26 LYS C C 26 176.598 176.598 176.223 0.375 19155 2471 1 6 . 1 1 26 26 LYS CA C 26 56.209 56.209 56.578 -0.369 19155 2472 1 6 . 1 1 26 26 LYS CB C 26 33.191 33.191 31.995 1.196 19155 2473 1 6 . 1 1 26 26 LYS H H 26 7.533 7.533 8.112 -0.579 19155 2474 1 6 . 1 1 27 27 SER N N 27 115.400 115.400 115.285 0.115 19155 2475 1 6 . 1 1 27 27 SER HA H 27 4.332 4.332 4.652 -0.320 19155 2476 1 6 . 1 1 27 27 SER C C 27 174.768 174.768 172.669 2.099 19155 2477 1 6 . 1 1 27 27 SER CA C 27 58.808 58.808 57.301 1.507 19155 2478 1 6 . 1 1 27 27 SER CB C 27 63.397 63.397 65.731 -2.334 19155 2479 1 6 . 1 1 27 27 SER H H 27 7.570 7.570 7.442 0.128 19155 2480 1 6 . 1 1 28 28 THR N N 28 114.468 114.468 115.979 -1.511 19155 2481 1 6 . 1 1 28 28 THR HA H 28 4.649 4.649 4.758 -0.109 19155 2482 1 6 . 1 1 28 28 THR CA C 28 60.242 60.242 61.048 -0.806 19155 2483 1 6 . 1 1 28 28 THR CB C 28 71.544 71.544 71.605 -0.061 19155 2484 1 6 . 1 1 28 28 THR H H 28 7.725 7.725 8.268 -0.542 19155 2485 1 6 . 1 1 29 29 LYS HA H 29 4.300 4.300 3.935 0.365 19155 2486 1 6 . 1 1 29 29 LYS CA C 29 57.974 57.974 60.795 -2.821 19155 2487 1 6 . 1 1 29 29 LYS CB C 29 32.820 32.820 32.446 0.374 19155 2488 1 6 . 1 1 30 30 LYS HA H 30 4.154 4.154 4.129 0.025 19155 2489 1 6 . 1 1 30 30 LYS CA C 30 58.725 58.725 58.518 0.207 19155 2490 1 6 . 1 1 31 31 ARG HA H 31 4.533 4.533 4.387 0.146 19155 2491 1 6 . 1 1 31 31 ARG CA C 31 56.137 56.137 54.646 1.491 19155 2492 1 6 . 1 1 31 31 ARG CB C 31 31.003 31.003 29.453 1.550 19155 2493 1 6 . 1 1 32 32 HIS HA H 32 4.570 4.570 4.329 0.241 19155 2494 1 6 . 1 1 32 32 HIS C C 32 176.136 176.136 176.355 -0.219 19155 2495 1 6 . 1 1 32 32 HIS CA C 32 58.689 58.689 59.993 -1.304 19155 2496 1 6 . 1 1 32 32 HIS CB C 32 30.731 30.731 28.826 1.905 19155 2497 1 6 . 1 1 33 33 THR N N 33 111.162 111.162 116.638 -5.476 19155 2498 1 6 . 1 1 33 33 THR HA H 33 3.976 3.976 3.603 0.373 19155 2499 1 6 . 1 1 33 33 THR C C 33 176.807 176.807 176.675 0.132 19155 2500 1 6 . 1 1 33 33 THR CA C 33 65.194 65.194 65.927 -0.733 19155 2501 1 6 . 1 1 33 33 THR CB C 33 68.428 68.428 68.263 0.165 19155 2502 1 6 . 1 1 33 33 THR H H 33 8.355 8.355 7.403 0.952 19155 2503 1 6 . 1 1 34 34 ILE N N 34 123.220 123.220 121.233 1.987 19155 2504 1 6 . 1 1 34 34 ILE HA H 34 4.047 4.047 3.809 0.238 19155 2505 1 6 . 1 1 34 34 ILE C C 34 176.944 176.944 177.706 -0.762 19155 2506 1 6 . 1 1 34 34 ILE CA C 34 63.746 63.746 64.907 -1.161 19155 2507 1 6 . 1 1 34 34 ILE CB C 34 37.905 37.905 37.766 0.139 19155 2508 1 6 . 1 1 34 34 ILE H H 34 7.824 7.824 7.891 -0.067 19155 2509 1 6 . 1 1 35 35 THR N N 35 118.694 118.694 116.930 1.764 19155 2510 1 6 . 1 1 35 35 THR HA H 35 4.103 4.103 3.855 0.248 19155 2511 1 6 . 1 1 35 35 THR C C 35 175.385 175.385 176.346 -0.961 19155 2512 1 6 . 1 1 35 35 THR CA C 35 63.339 63.339 66.575 -3.236 19155 2513 1 6 . 1 1 35 35 THR CB C 35 68.428 68.428 67.923 0.505 19155 2514 1 6 . 1 1 35 35 THR H H 35 8.053 8.053 7.498 0.555 19155 2515 1 6 . 1 1 36 36 VAL N N 36 120.252 120.252 122.368 -2.116 19155 2516 1 6 . 1 1 36 36 VAL HA H 36 3.494 3.494 3.683 -0.189 19155 2517 1 6 . 1 1 36 36 VAL C C 36 177.667 177.667 177.425 0.242 19155 2518 1 6 . 1 1 36 36 VAL CA C 36 66.312 66.312 66.988 -0.676 19155 2519 1 6 . 1 1 36 36 VAL CB C 36 31.787 31.787 31.268 0.519 19155 2520 1 6 . 1 1 36 36 VAL H H 36 8.148 8.148 8.481 -0.333 19155 2521 1 6 . 1 1 37 37 ALA N N 37 121.815 121.815 122.313 -0.498 19155 2522 1 6 . 1 1 37 37 ALA HA H 37 4.168 4.168 4.107 0.061 19155 2523 1 6 . 1 1 37 37 ALA C C 37 180.404 180.404 179.723 0.681 19155 2524 1 6 . 1 1 37 37 ALA CA C 37 55.062 55.062 55.229 -0.167 19155 2525 1 6 . 1 1 37 37 ALA CB C 37 18.114 18.114 18.436 -0.322 19155 2526 1 6 . 1 1 37 37 ALA H H 37 7.526 7.526 7.807 -0.281 19155 2527 1 6 . 1 1 38 38 LEU N N 38 122.124 122.124 118.925 3.199 19155 2528 1 6 . 1 1 38 38 LEU HA H 38 3.574 3.574 3.518 0.056 19155 2529 1 6 . 1 1 38 38 LEU C C 38 177.815 177.815 178.340 -0.525 19155 2530 1 6 . 1 1 38 38 LEU CA C 38 57.671 57.671 56.848 0.823 19155 2531 1 6 . 1 1 38 38 LEU CB C 38 40.383 40.383 41.300 -0.916 19155 2532 1 6 . 1 1 38 38 LEU H H 38 7.987 7.987 7.578 0.409 19155 2533 1 6 . 1 1 39 39 VAL N N 39 119.627 119.627 120.825 -1.198 19155 2534 1 6 . 1 1 39 39 VAL HA H 39 3.295 3.295 3.423 -0.128 19155 2535 1 6 . 1 1 39 39 VAL C C 39 178.084 178.084 177.698 0.386 19155 2536 1 6 . 1 1 39 39 VAL CA C 39 67.710 67.710 67.460 0.250 19155 2537 1 6 . 1 1 39 39 VAL CB C 39 31.393 31.393 31.351 0.042 19155 2538 1 6 . 1 1 39 39 VAL H H 39 8.410 8.410 8.495 -0.085 19155 2539 1 6 . 1 1 40 40 ASN N N 40 117.904 117.904 117.556 0.348 19155 2540 1 6 . 1 1 40 40 ASN HA H 40 4.528 4.528 4.404 0.124 19155 2541 1 6 . 1 1 40 40 ASN C C 40 177.814 177.814 178.158 -0.344 19155 2542 1 6 . 1 1 40 40 ASN CA C 40 56.214 56.214 56.072 0.142 19155 2543 1 6 . 1 1 40 40 ASN CB C 40 37.990 37.990 37.900 0.090 19155 2544 1 6 . 1 1 40 40 ASN H H 40 8.211 8.211 8.436 -0.225 19155 2545 1 6 . 1 1 41 41 GLU N N 41 122.117 122.117 121.447 0.670 19155 2546 1 6 . 1 1 41 41 GLU HA H 41 4.330 4.330 4.205 0.125 19155 2547 1 6 . 1 1 41 41 GLU C C 41 179.186 179.186 178.592 0.594 19155 2548 1 6 . 1 1 41 41 GLU CA C 41 59.444 59.444 58.769 0.675 19155 2549 1 6 . 1 1 41 41 GLU CB C 41 28.935 28.935 29.519 -0.584 19155 2550 1 6 . 1 1 41 41 GLU H H 41 7.895 7.895 7.410 0.485 19155 2551 1 6 . 1 1 42 42 LEU N N 42 118.997 118.997 119.833 -0.836 19155 2552 1 6 . 1 1 42 42 LEU HA H 42 4.036 4.036 3.789 0.247 19155 2553 1 6 . 1 1 42 42 LEU C C 42 179.072 179.072 178.896 0.176 19155 2554 1 6 . 1 1 42 42 LEU CA C 42 58.028 58.028 58.500 -0.472 19155 2555 1 6 . 1 1 42 42 LEU CB C 42 41.053 41.053 41.548 -0.495 19155 2556 1 6 . 1 1 42 42 LEU H H 42 8.915 8.915 8.592 0.323 19155 2557 1 6 . 1 1 43 43 ASN N N 43 117.439 117.439 117.329 0.110 19155 2558 1 6 . 1 1 43 43 ASN HA H 43 4.560 4.560 4.458 0.102 19155 2559 1 6 . 1 1 43 43 ASN C C 43 177.692 177.692 177.457 0.235 19155 2560 1 6 . 1 1 43 43 ASN CA C 43 56.224 56.224 56.077 0.147 19155 2561 1 6 . 1 1 43 43 ASN CB C 43 38.241 38.241 37.697 0.544 19155 2562 1 6 . 1 1 43 43 ASN H H 43 8.436 8.436 8.643 -0.207 19155 2563 1 6 . 1 1 44 44 ASN N N 44 121.188 121.188 120.036 1.152 19155 2564 1 6 . 1 1 44 44 ASN HA H 44 4.647 4.647 4.550 0.097 19155 2565 1 6 . 1 1 44 44 ASN C C 44 178.704 178.704 177.431 1.273 19155 2566 1 6 . 1 1 44 44 ASN CA C 44 56.233 56.233 55.989 0.244 19155 2567 1 6 . 1 1 44 44 ASN CB C 44 37.466 37.466 38.330 -0.864 19155 2568 1 6 . 1 1 44 44 ASN H H 44 8.079 8.079 7.449 0.630 19155 2569 1 6 . 1 1 45 45 ILE N N 45 124.315 124.315 120.645 3.670 19155 2570 1 6 . 1 1 45 45 ILE HA H 45 3.985 3.985 3.639 0.346 19155 2571 1 6 . 1 1 45 45 ILE C C 45 177.925 177.925 177.774 0.151 19155 2572 1 6 . 1 1 45 45 ILE CA C 45 65.578 65.578 65.478 0.100 19155 2573 1 6 . 1 1 45 45 ILE CB C 45 38.903 38.903 37.497 1.406 19155 2574 1 6 . 1 1 45 45 ILE H H 45 8.533 8.533 8.271 0.262 19155 2575 1 6 . 1 1 46 46 LYS N N 46 119.624 119.624 120.364 -0.740 19155 2576 1 6 . 1 1 46 46 LYS HA H 46 3.743 3.743 3.871 -0.128 19155 2577 1 6 . 1 1 46 46 LYS C C 46 177.699 177.699 178.886 -1.187 19155 2578 1 6 . 1 1 46 46 LYS CA C 46 60.161 60.161 60.428 -0.267 19155 2579 1 6 . 1 1 46 46 LYS CB C 46 31.420 31.420 32.281 -0.861 19155 2580 1 6 . 1 1 46 46 LYS H H 46 8.660 8.660 8.290 0.370 19155 2581 1 6 . 1 1 47 47 ASN N N 47 116.034 116.034 117.681 -1.647 19155 2582 1 6 . 1 1 47 47 ASN HA H 47 4.468 4.468 4.472 -0.004 19155 2583 1 6 . 1 1 47 47 ASN C C 47 177.768 177.768 177.404 0.364 19155 2584 1 6 . 1 1 47 47 ASN CA C 47 56.538 56.538 56.471 0.067 19155 2585 1 6 . 1 1 47 47 ASN CB C 47 37.882 37.882 38.485 -0.603 19155 2586 1 6 . 1 1 47 47 ASN H H 47 8.344 8.344 8.318 0.026 19155 2587 1 6 . 1 1 48 48 GLU N N 48 121.665 121.665 120.833 0.832 19155 2588 1 6 . 1 1 48 48 GLU HA H 48 4.044 4.044 4.012 0.032 19155 2589 1 6 . 1 1 48 48 GLU C C 48 179.915 179.915 179.145 0.770 19155 2590 1 6 . 1 1 48 48 GLU CA C 48 59.444 59.444 59.645 -0.201 19155 2591 1 6 . 1 1 48 48 GLU CB C 48 29.230 29.230 29.830 -0.600 19155 2592 1 6 . 1 1 48 48 GLU H H 48 8.301 8.301 8.408 -0.107 19155 2593 1 6 . 1 1 49 49 TYR N N 49 117.600 117.600 118.976 -1.376 19155 2594 1 6 . 1 1 49 49 TYR HA H 49 3.992 3.992 4.353 -0.361 19155 2595 1 6 . 1 1 49 49 TYR C C 49 178.275 178.275 178.165 0.110 19155 2596 1 6 . 1 1 49 49 TYR CA C 49 64.508 64.508 61.085 3.423 19155 2597 1 6 . 1 1 49 49 TYR CB C 49 37.881 37.881 38.515 -0.634 19155 2598 1 6 . 1 1 49 49 TYR H H 49 8.581 8.581 8.603 -0.022 19155 2599 1 6 . 1 1 50 50 LEU N N 50 122.126 122.126 120.892 1.234 19155 2600 1 6 . 1 1 50 50 LEU HA H 50 4.181 4.181 3.793 0.388 19155 2601 1 6 . 1 1 50 50 LEU C C 50 180.089 180.089 178.868 1.221 19155 2602 1 6 . 1 1 50 50 LEU CA C 50 59.061 59.061 58.874 0.187 19155 2603 1 6 . 1 1 50 50 LEU CB C 50 40.096 40.096 41.653 -1.557 19155 2604 1 6 . 1 1 50 50 LEU H H 50 9.207 9.207 8.839 0.368 19155 2605 1 6 . 1 1 51 51 ASN N N 51 117.124 117.124 116.687 0.437 19155 2606 1 6 . 1 1 51 51 ASN HA H 51 4.535 4.535 4.467 0.068 19155 2607 1 6 . 1 1 51 51 ASN C C 51 177.522 177.522 177.528 -0.006 19155 2608 1 6 . 1 1 51 51 ASN CA C 51 56.240 56.240 56.307 -0.067 19155 2609 1 6 . 1 1 51 51 ASN CB C 51 37.898 37.898 38.552 -0.654 19155 2610 1 6 . 1 1 51 51 ASN H H 51 7.634 7.634 8.082 -0.448 19155 2611 1 6 . 1 1 52 52 LYS N N 52 119.154 119.154 120.639 -1.485 19155 2612 1 6 . 1 1 52 52 LYS HA H 52 4.037 4.037 3.912 0.125 19155 2613 1 6 . 1 1 52 52 LYS C C 52 179.905 179.905 179.089 0.816 19155 2614 1 6 . 1 1 52 52 LYS CA C 52 59.803 59.803 59.603 0.200 19155 2615 1 6 . 1 1 52 52 LYS CB C 52 33.215 33.215 32.338 0.877 19155 2616 1 6 . 1 1 52 52 LYS H H 52 7.663 7.663 7.897 -0.234 19155 2617 1 6 . 1 1 53 53 ILE N N 53 121.662 121.662 117.167 4.495 19155 2618 1 6 . 1 1 53 53 ILE HA H 53 3.532 3.532 3.885 -0.353 19155 2619 1 6 . 1 1 53 53 ILE C C 53 178.489 178.489 177.413 1.076 19155 2620 1 6 . 1 1 53 53 ILE CA C 53 65.906 65.906 63.916 1.990 19155 2621 1 6 . 1 1 53 53 ILE CB C 53 38.249 38.249 38.352 -0.103 19155 2622 1 6 . 1 1 53 53 ILE H H 53 8.493 8.493 8.209 0.284 19155 2623 1 6 . 1 1 54 54 VAL N N 54 119.477 119.477 118.997 0.480 19155 2624 1 6 . 1 1 54 54 VAL HA H 54 3.647 3.647 3.873 -0.226 19155 2625 1 6 . 1 1 54 54 VAL C C 54 176.683 176.683 177.022 -0.339 19155 2626 1 6 . 1 1 54 54 VAL CA C 54 66.643 66.643 64.382 2.261 19155 2627 1 6 . 1 1 54 54 VAL CB C 54 31.448 31.448 32.552 -1.104 19155 2628 1 6 . 1 1 54 54 VAL H H 54 7.598 7.598 7.742 -0.144 19155 2629 1 6 . 1 1 55 55 GLU N N 55 114.467 114.467 118.530 -4.063 19155 2630 1 6 . 1 1 55 55 GLU HA H 55 4.281 4.281 4.388 -0.107 19155 2631 1 6 . 1 1 55 55 GLU C C 55 176.914 176.914 176.391 0.523 19155 2632 1 6 . 1 1 55 55 GLU CA C 55 56.195 56.195 55.555 0.640 19155 2633 1 6 . 1 1 55 55 GLU CB C 55 30.354 30.354 30.294 0.060 19155 2634 1 6 . 1 1 55 55 GLU H H 55 7.064 7.064 7.850 -0.786 19155 2635 1 6 . 1 1 56 56 SER N N 56 116.806 116.806 113.779 3.027 19155 2636 1 6 . 1 1 56 56 SER HA H 56 4.435 4.435 4.323 0.112 19155 2637 1 6 . 1 1 56 56 SER C C 56 175.566 175.566 174.802 0.764 19155 2638 1 6 . 1 1 56 56 SER CA C 56 60.163 60.163 58.693 1.470 19155 2639 1 6 . 1 1 56 56 SER CB C 56 64.439 64.439 63.653 0.786 19155 2640 1 6 . 1 1 56 56 SER H H 56 7.504 7.504 7.834 -0.330 19155 2641 1 6 . 1 1 57 57 THR N N 57 111.347 111.347 117.815 -6.468 19155 2642 1 6 . 1 1 57 57 THR HA H 57 4.539 4.539 4.531 0.008 19155 2643 1 6 . 1 1 57 57 THR C C 57 174.424 174.424 173.910 0.514 19155 2644 1 6 . 1 1 57 57 THR CA C 57 61.518 61.518 61.770 -0.252 19155 2645 1 6 . 1 1 57 57 THR CB C 57 70.377 70.377 68.934 1.443 19155 2646 1 6 . 1 1 57 57 THR H H 57 9.083 9.083 8.483 0.600 19155 2647 1 6 . 1 1 58 58 SER N N 58 115.415 115.415 118.406 -2.991 19155 2648 1 6 . 1 1 58 58 SER HA H 58 5.059 5.059 4.833 0.226 19155 2649 1 6 . 1 1 58 58 SER C C 58 174.278 174.278 174.167 0.111 19155 2650 1 6 . 1 1 58 58 SER CA C 58 56.928 56.928 57.753 -0.825 19155 2651 1 6 . 1 1 58 58 SER CB C 58 66.570 66.570 65.354 1.216 19155 2652 1 6 . 1 1 58 58 SER H H 58 7.689 7.689 7.824 -0.135 19155 2653 1 6 . 1 1 59 59 GLU N N 59 124.305 124.305 127.490 -3.185 19155 2654 1 6 . 1 1 59 59 GLU HA H 59 3.990 3.990 4.005 -0.015 19155 2655 1 6 . 1 1 59 59 GLU C C 59 179.113 179.113 177.831 1.282 19155 2656 1 6 . 1 1 59 59 GLU CA C 59 60.159 60.159 59.141 1.018 19155 2657 1 6 . 1 1 59 59 GLU CB C 59 29.616 29.616 28.954 0.662 19155 2658 1 6 . 1 1 59 59 GLU H H 59 9.719 9.719 9.053 0.666 19155 2659 1 6 . 1 1 60 60 SER N N 60 115.406 115.406 116.160 -0.754 19155 2660 1 6 . 1 1 60 60 SER HA H 60 4.249 4.249 4.044 0.205 19155 2661 1 6 . 1 1 60 60 SER C C 60 177.307 177.307 176.703 0.604 19155 2662 1 6 . 1 1 60 60 SER CA C 60 61.259 61.259 60.864 0.395 19155 2663 1 6 . 1 1 60 60 SER CB C 60 61.960 61.960 62.645 -0.685 19155 2664 1 6 . 1 1 60 60 SER H H 60 8.614 8.614 7.989 0.625 19155 2665 1 6 . 1 1 61 61 GLN N N 61 121.656 121.656 123.218 -1.562 19155 2666 1 6 . 1 1 61 61 GLN HA H 61 4.107 4.107 4.106 0.001 19155 2667 1 6 . 1 1 61 61 GLN C C 61 178.777 178.777 178.132 0.645 19155 2668 1 6 . 1 1 61 61 GLN CA C 61 58.743 58.743 58.393 0.350 19155 2669 1 6 . 1 1 61 61 GLN CB C 61 28.900 28.900 28.103 0.797 19155 2670 1 6 . 1 1 61 61 GLN H H 61 7.669 7.669 8.129 -0.460 19155 2671 1 6 . 1 1 62 62 LEU N N 62 118.689 118.689 118.391 0.298 19155 2672 1 6 . 1 1 62 62 LEU HA H 62 4.035 4.035 3.848 0.187 19155 2673 1 6 . 1 1 62 62 LEU C C 62 178.363 178.363 179.068 -0.705 19155 2674 1 6 . 1 1 62 62 LEU CA C 62 58.725 58.725 57.929 0.795 19155 2675 1 6 . 1 1 62 62 LEU CB C 62 41.836 41.836 41.605 0.230 19155 2676 1 6 . 1 1 62 62 LEU H H 62 7.736 7.736 8.004 -0.268 19155 2677 1 6 . 1 1 63 63 GLN N N 63 117.441 117.441 116.933 0.508 19155 2678 1 6 . 1 1 63 63 GLN HA H 63 4.078 4.078 4.082 -0.004 19155 2679 1 6 . 1 1 63 63 GLN C C 63 179.312 179.312 178.486 0.826 19155 2680 1 6 . 1 1 63 63 GLN CA C 63 59.062 59.062 58.448 0.614 19155 2681 1 6 . 1 1 63 63 GLN CB C 63 27.819 27.819 28.853 -1.034 19155 2682 1 6 . 1 1 63 63 GLN H H 63 7.943 7.943 7.582 0.361 19155 2683 1 6 . 1 1 64 64 ILE N N 64 120.406 120.406 120.475 -0.069 19155 2684 1 6 . 1 1 64 64 ILE HA H 64 3.809 3.809 3.881 -0.072 19155 2685 1 6 . 1 1 64 64 ILE C C 64 178.734 178.734 177.934 0.800 19155 2686 1 6 . 1 1 64 64 ILE CA C 64 64.722 64.722 62.033 2.688 19155 2687 1 6 . 1 1 64 64 ILE CB C 64 37.971 37.971 36.793 1.178 19155 2688 1 6 . 1 1 64 64 ILE H H 64 7.544 7.544 7.722 -0.178 19155 2689 1 6 . 1 1 65 65 LEU N N 65 120.247 120.247 119.976 0.271 19155 2690 1 6 . 1 1 65 65 LEU HA H 65 4.212 4.212 4.008 0.204 19155 2691 1 6 . 1 1 65 65 LEU C C 65 179.685 179.685 179.228 0.457 19155 2692 1 6 . 1 1 65 65 LEU CA C 65 58.004 58.004 58.152 -0.148 19155 2693 1 6 . 1 1 65 65 LEU CB C 65 42.553 42.553 41.218 1.335 19155 2694 1 6 . 1 1 65 65 LEU H H 65 8.361 8.361 8.772 -0.411 19155 2695 1 6 . 1 1 66 66 MET N N 66 118.685 118.685 117.152 1.533 19155 2696 1 6 . 1 1 66 66 MET HA H 66 3.918 3.918 4.068 -0.150 19155 2697 1 6 . 1 1 66 66 MET C C 66 178.906 178.906 178.345 0.561 19155 2698 1 6 . 1 1 66 66 MET CA C 66 59.467 59.467 59.275 0.192 19155 2699 1 6 . 1 1 66 66 MET CB C 66 33.519 33.519 32.431 1.088 19155 2700 1 6 . 1 1 66 66 MET H H 66 8.458 8.458 7.587 0.871 19155 2701 1 6 . 1 1 67 67 MET N N 67 118.685 118.685 117.587 1.098 19155 2702 1 6 . 1 1 67 67 MET HA H 67 4.098 4.098 4.181 -0.083 19155 2703 1 6 . 1 1 67 67 MET C C 67 178.781 178.781 178.868 -0.087 19155 2704 1 6 . 1 1 67 67 MET CA C 67 58.379 58.379 56.894 1.485 19155 2705 1 6 . 1 1 67 67 MET CB C 67 32.031 32.031 30.693 1.338 19155 2706 1 6 . 1 1 67 67 MET H H 67 7.559 7.559 7.690 -0.131 19155 2707 1 6 . 1 1 68 68 GLU N N 68 122.128 122.128 120.846 1.282 19155 2708 1 6 . 1 1 68 68 GLU HA H 68 3.990 3.990 4.034 -0.044 19155 2709 1 6 . 1 1 68 68 GLU C C 68 178.803 178.803 179.217 -0.414 19155 2710 1 6 . 1 1 68 68 GLU CA C 68 59.459 59.459 59.767 -0.309 19155 2711 1 6 . 1 1 68 68 GLU CB C 68 30.706 30.706 29.150 1.556 19155 2712 1 6 . 1 1 68 68 GLU H H 68 8.895 8.895 8.711 0.184 19155 2713 1 6 . 1 1 69 69 SER N N 69 114.769 114.769 115.370 -0.601 19155 2714 1 6 . 1 1 69 69 SER HA H 69 2.872 2.872 3.614 -0.742 19155 2715 1 6 . 1 1 69 69 SER C C 69 175.801 175.801 176.578 -0.777 19155 2716 1 6 . 1 1 69 69 SER CA C 69 62.000 62.000 61.484 0.515 19155 2717 1 6 . 1 1 69 69 SER CB C 69 62.282 62.282 62.773 -0.491 19155 2718 1 6 . 1 1 69 69 SER H H 69 8.161 8.161 8.212 -0.051 19155 2719 1 6 . 1 1 70 70 ARG N N 70 120.552 120.552 121.069 -0.517 19155 2720 1 6 . 1 1 70 70 ARG HA H 70 3.744 3.744 3.635 0.109 19155 2721 1 6 . 1 1 70 70 ARG C C 70 177.654 177.654 178.326 -0.672 19155 2722 1 6 . 1 1 70 70 ARG CA C 70 59.793 59.793 59.889 -0.096 19155 2723 1 6 . 1 1 70 70 ARG CB C 70 29.974 29.974 29.693 0.281 19155 2724 1 6 . 1 1 70 70 ARG H H 70 6.945 6.945 8.253 -1.308 19155 2725 1 6 . 1 1 71 71 SER N N 71 113.064 113.064 113.724 -0.660 19155 2726 1 6 . 1 1 71 71 SER HA H 71 4.275 4.275 4.246 0.029 19155 2727 1 6 . 1 1 71 71 SER C C 71 177.491 177.491 176.464 1.027 19155 2728 1 6 . 1 1 71 71 SER CA C 71 61.571 61.571 60.955 0.616 19155 2729 1 6 . 1 1 71 71 SER CB C 71 62.710 62.710 62.597 0.112 19155 2730 1 6 . 1 1 71 71 SER H H 71 7.721 7.721 8.288 -0.567 19155 2731 1 6 . 1 1 72 72 LYS N N 72 121.657 121.657 121.695 -0.038 19155 2732 1 6 . 1 1 72 72 LYS HA H 72 4.170 4.170 4.036 0.134 19155 2733 1 6 . 1 1 72 72 LYS C C 72 180.429 180.429 179.220 1.209 19155 2734 1 6 . 1 1 72 72 LYS CA C 72 58.725 58.725 59.282 -0.557 19155 2735 1 6 . 1 1 72 72 LYS CB C 72 32.131 32.131 32.313 -0.182 19155 2736 1 6 . 1 1 72 72 LYS H H 72 8.414 8.414 8.270 0.144 19155 2737 1 6 . 1 1 73 73 VAL N N 73 123.222 123.222 120.646 2.576 19155 2738 1 6 . 1 1 73 73 VAL HA H 73 3.598 3.598 3.492 0.106 19155 2739 1 6 . 1 1 73 73 VAL C C 73 176.929 176.929 177.355 -0.426 19155 2740 1 6 . 1 1 73 73 VAL CA C 73 66.975 66.975 67.454 -0.479 19155 2741 1 6 . 1 1 73 73 VAL CB C 73 31.704 31.704 31.811 -0.107 19155 2742 1 6 . 1 1 73 73 VAL H H 73 8.421 8.421 8.455 -0.034 19155 2743 1 6 . 1 1 74 74 ASP N N 74 120.101 120.101 119.640 0.461 19155 2744 1 6 . 1 1 74 74 ASP HA H 74 4.393 4.393 4.364 0.029 19155 2745 1 6 . 1 1 74 74 ASP C C 74 180.001 180.001 178.460 1.541 19155 2746 1 6 . 1 1 74 74 ASP CA C 74 57.324 57.324 58.328 -1.004 19155 2747 1 6 . 1 1 74 74 ASP CB C 74 39.326 39.326 40.967 -1.641 19155 2748 1 6 . 1 1 74 74 ASP H H 74 8.674 8.674 8.372 0.302 19155 2749 1 6 . 1 1 75 75 GLU N N 75 121.349 121.349 119.864 1.485 19155 2750 1 6 . 1 1 75 75 GLU HA H 75 4.113 4.113 4.086 0.027 19155 2751 1 6 . 1 1 75 75 GLU C C 75 178.732 178.732 178.590 0.142 19155 2752 1 6 . 1 1 75 75 GLU CA C 75 59.083 59.083 59.381 -0.298 19155 2753 1 6 . 1 1 75 75 GLU CB C 75 29.975 29.975 29.796 0.179 19155 2754 1 6 . 1 1 75 75 GLU H H 75 8.475 8.475 8.170 0.305 19155 2755 1 6 . 1 1 76 76 ALA N N 76 124.160 124.160 122.270 1.890 19155 2756 1 6 . 1 1 76 76 ALA HA H 76 4.281 4.281 4.123 0.158 19155 2757 1 6 . 1 1 76 76 ALA C C 76 179.906 179.906 179.962 -0.056 19155 2758 1 6 . 1 1 76 76 ALA CA C 76 55.530 55.530 55.081 0.449 19155 2759 1 6 . 1 1 76 76 ALA CB C 76 17.424 17.424 18.444 -1.020 19155 2760 1 6 . 1 1 76 76 ALA H H 76 7.944 7.944 7.732 0.212 19155 2761 1 6 . 1 1 77 77 VAL N N 77 117.439 117.439 118.453 -1.014 19155 2762 1 6 . 1 1 77 77 VAL HA H 77 3.644 3.644 3.487 0.157 19155 2763 1 6 . 1 1 77 77 VAL C C 77 178.784 178.784 178.665 0.119 19155 2764 1 6 . 1 1 77 77 VAL CA C 77 66.958 66.958 66.352 0.606 19155 2765 1 6 . 1 1 77 77 VAL CB C 77 31.807 31.807 31.599 0.208 19155 2766 1 6 . 1 1 77 77 VAL H H 77 8.204 8.204 8.195 0.009 19155 2767 1 6 . 1 1 78 78 SER N N 78 113.687 113.687 115.227 -1.540 19155 2768 1 6 . 1 1 78 78 SER HA H 78 4.266 4.266 4.159 0.107 19155 2769 1 6 . 1 1 78 78 SER C C 78 176.762 176.762 176.047 0.715 19155 2770 1 6 . 1 1 78 78 SER CA C 78 61.241 61.241 61.716 -0.475 19155 2771 1 6 . 1 1 78 78 SER CB C 78 62.678 62.678 63.123 -0.445 19155 2772 1 6 . 1 1 78 78 SER H H 78 7.935 7.935 8.039 -0.104 19155 2773 1 6 . 1 1 79 79 LYS N N 79 121.029 121.029 120.113 0.916 19155 2774 1 6 . 1 1 79 79 LYS HA H 79 4.070 4.070 4.100 -0.030 19155 2775 1 6 . 1 1 79 79 LYS C C 79 178.135 178.135 177.847 0.288 19155 2776 1 6 . 1 1 79 79 LYS CA C 79 58.723 58.723 58.633 0.090 19155 2777 1 6 . 1 1 79 79 LYS CB C 79 32.489 32.489 32.602 -0.113 19155 2778 1 6 . 1 1 79 79 LYS H H 79 7.989 7.989 8.146 -0.157 19155 2779 1 6 . 1 1 80 80 PHE N N 80 117.437 117.437 115.515 1.922 19155 2780 1 6 . 1 1 80 80 PHE HA H 80 4.490 4.490 4.652 -0.162 19155 2781 1 6 . 1 1 80 80 PHE C C 80 176.236 176.236 175.800 0.436 19155 2782 1 6 . 1 1 80 80 PHE CA C 80 59.444 59.444 58.658 0.786 19155 2783 1 6 . 1 1 80 80 PHE CB C 80 40.032 40.032 40.075 -0.043 19155 2784 1 6 . 1 1 80 80 PHE H H 80 7.838 7.838 7.839 -0.001 19155 2785 1 6 . 1 1 81 81 GLU N N 81 120.092 120.092 118.794 1.298 19155 2786 1 6 . 1 1 81 81 GLU HA H 81 4.290 4.290 4.199 0.091 19155 2787 1 6 . 1 1 81 81 GLU C C 81 175.715 175.715 176.452 -0.737 19155 2788 1 6 . 1 1 81 81 GLU CA C 81 56.928 56.928 58.208 -1.280 19155 2789 1 6 . 1 1 81 81 GLU CB C 81 29.997 29.997 30.216 -0.219 19155 2790 1 6 . 1 1 81 81 GLU H H 81 7.864 7.864 7.954 -0.090 19155 2791 1 7 . 1 1 2 2 ASP N N 2 119.961 119.961 119.310 0.651 19155 2792 1 7 . 1 1 2 2 ASP HA H 2 4.440 4.440 4.369 0.071 19155 2793 1 7 . 1 1 2 2 ASP C C 2 178.594 178.594 177.892 0.702 19155 2794 1 7 . 1 1 2 2 ASP CA C 2 57.997 57.997 57.572 0.425 19155 2795 1 7 . 1 1 2 2 ASP CB C 2 40.098 40.098 39.998 0.100 19155 2796 1 7 . 1 1 2 2 ASP H H 2 8.260 8.260 8.702 -0.442 19155 2797 1 7 . 1 1 3 3 SER N N 3 115.401 115.401 115.538 -0.137 19155 2798 1 7 . 1 1 3 3 SER HA H 3 4.358 4.358 4.196 0.162 19155 2799 1 7 . 1 1 3 3 SER C C 3 177.657 177.657 176.627 1.030 19155 2800 1 7 . 1 1 3 3 SER CA C 3 60.656 60.656 60.894 -0.238 19155 2801 1 7 . 1 1 3 3 SER CB C 3 62.319 62.319 62.883 -0.564 19155 2802 1 7 . 1 1 3 3 SER H H 3 8.112 8.112 8.301 -0.189 19155 2803 1 7 . 1 1 4 4 GLU N N 4 122.287 122.287 121.896 0.391 19155 2804 1 7 . 1 1 4 4 GLU HA H 4 4.045 4.045 4.076 -0.031 19155 2805 1 7 . 1 1 4 4 GLU C C 4 180.035 180.035 178.469 1.566 19155 2806 1 7 . 1 1 4 4 GLU CA C 4 59.072 59.072 59.270 -0.198 19155 2807 1 7 . 1 1 4 4 GLU CB C 4 28.538 28.538 29.241 -0.703 19155 2808 1 7 . 1 1 4 4 GLU H H 4 8.472 8.472 8.569 -0.097 19155 2809 1 7 . 1 1 5 5 ARG N N 5 121.026 121.026 118.273 2.753 19155 2810 1 7 . 1 1 5 5 ARG HA H 5 3.894 3.894 4.100 -0.206 19155 2811 1 7 . 1 1 5 5 ARG C C 5 178.298 178.298 178.101 0.197 19155 2812 1 7 . 1 1 5 5 ARG CA C 5 60.564 60.564 59.404 1.159 19155 2813 1 7 . 1 1 5 5 ARG CB C 5 30.681 30.681 29.790 0.891 19155 2814 1 7 . 1 1 5 5 ARG H H 5 8.771 8.771 8.170 0.601 19155 2815 1 7 . 1 1 6 6 ASP N N 6 119.775 119.775 120.375 -0.600 19155 2816 1 7 . 1 1 6 6 ASP HA H 6 4.455 4.455 4.466 -0.011 19155 2817 1 7 . 1 1 6 6 ASP C C 6 178.676 178.676 178.072 0.604 19155 2818 1 7 . 1 1 6 6 ASP CA C 6 57.956 57.956 57.556 0.400 19155 2819 1 7 . 1 1 6 6 ASP CB C 6 40.774 40.774 40.987 -0.213 19155 2820 1 7 . 1 1 6 6 ASP H H 6 7.889 7.889 8.493 -0.604 19155 2821 1 7 . 1 1 7 7 LYS N N 7 119.937 119.937 119.446 0.491 19155 2822 1 7 . 1 1 7 7 LYS HA H 7 4.014 4.014 3.997 0.017 19155 2823 1 7 . 1 1 7 7 LYS C C 7 178.977 178.977 178.558 0.419 19155 2824 1 7 . 1 1 7 7 LYS CA C 7 59.793 59.793 59.455 0.339 19155 2825 1 7 . 1 1 7 7 LYS CB C 7 32.850 32.850 32.135 0.715 19155 2826 1 7 . 1 1 7 7 LYS H H 7 7.950 7.950 8.114 -0.164 19155 2827 1 7 . 1 1 8 8 ALA N N 8 122.436 122.436 122.946 -0.510 19155 2828 1 7 . 1 1 8 8 ALA HA H 8 4.478 4.478 4.107 0.371 19155 2829 1 7 . 1 1 8 8 ALA C C 8 178.764 178.764 179.511 -0.747 19155 2830 1 7 . 1 1 8 8 ALA CA C 8 55.168 55.168 54.978 0.189 19155 2831 1 7 . 1 1 8 8 ALA CB C 8 19.502 19.502 18.585 0.917 19155 2832 1 7 . 1 1 8 8 ALA H H 8 7.976 7.976 8.064 -0.088 19155 2833 1 7 . 1 1 9 9 ARG N N 9 118.059 118.059 116.980 1.079 19155 2834 1 7 . 1 1 9 9 ARG HA H 9 3.801 3.801 3.979 -0.178 19155 2835 1 7 . 1 1 9 9 ARG C C 9 177.874 177.874 178.314 -0.440 19155 2836 1 7 . 1 1 9 9 ARG CA C 9 59.794 59.794 59.118 0.676 19155 2837 1 7 . 1 1 9 9 ARG CB C 9 29.989 29.989 29.847 0.142 19155 2838 1 7 . 1 1 9 9 ARG H H 9 8.489 8.489 8.424 0.065 19155 2839 1 7 . 1 1 10 10 LYS N N 10 118.064 118.064 120.269 -2.205 19155 2840 1 7 . 1 1 10 10 LYS HA H 10 4.138 4.138 4.072 0.066 19155 2841 1 7 . 1 1 10 10 LYS C C 10 178.619 178.619 178.800 -0.181 19155 2842 1 7 . 1 1 10 10 LYS CA C 10 59.421 59.421 58.952 0.470 19155 2843 1 7 . 1 1 10 10 LYS CB C 10 32.467 32.467 32.031 0.436 19155 2844 1 7 . 1 1 10 10 LYS H H 10 7.833 7.833 8.022 -0.189 19155 2845 1 7 . 1 1 11 11 GLU N N 11 118.845 118.845 119.576 -0.731 19155 2846 1 7 . 1 1 11 11 GLU HA H 11 4.107 4.107 4.103 0.004 19155 2847 1 7 . 1 1 11 11 GLU C C 11 180.137 180.137 179.151 0.986 19155 2848 1 7 . 1 1 11 11 GLU CA C 11 59.803 59.803 59.607 0.196 19155 2849 1 7 . 1 1 11 11 GLU CB C 11 29.248 29.248 29.609 -0.361 19155 2850 1 7 . 1 1 11 11 GLU H H 11 7.991 7.991 8.204 -0.213 19155 2851 1 7 . 1 1 12 12 VAL N N 12 120.562 120.562 115.145 5.417 19155 2852 1 7 . 1 1 12 12 VAL HA H 12 3.851 3.851 3.849 0.002 19155 2853 1 7 . 1 1 12 12 VAL C C 12 178.182 178.182 177.758 0.424 19155 2854 1 7 . 1 1 12 12 VAL CA C 12 66.625 66.625 65.958 0.667 19155 2855 1 7 . 1 1 12 12 VAL CB C 12 31.784 31.784 31.755 0.029 19155 2856 1 7 . 1 1 12 12 VAL H H 12 8.173 8.173 7.875 0.298 19155 2857 1 7 . 1 1 13 13 GLU N N 13 117.912 117.912 121.487 -3.575 19155 2858 1 7 . 1 1 13 13 GLU HA H 13 3.841 3.841 3.960 -0.119 19155 2859 1 7 . 1 1 13 13 GLU C C 13 179.959 179.959 178.774 1.185 19155 2860 1 7 . 1 1 13 13 GLU CA C 13 60.498 60.498 60.105 0.393 19155 2861 1 7 . 1 1 13 13 GLU CB C 13 30.014 30.014 29.393 0.621 19155 2862 1 7 . 1 1 13 13 GLU H H 13 8.624 8.624 8.340 0.284 19155 2863 1 7 . 1 1 14 14 GLU N N 14 117.909 117.909 118.935 -1.026 19155 2864 1 7 . 1 1 14 14 GLU HA H 14 4.025 4.025 4.028 -0.003 19155 2865 1 7 . 1 1 14 14 GLU C C 14 179.020 179.020 179.065 -0.045 19155 2866 1 7 . 1 1 14 14 GLU CA C 14 59.442 59.442 59.087 0.355 19155 2867 1 7 . 1 1 14 14 GLU CB C 14 29.257 29.257 29.180 0.077 19155 2868 1 7 . 1 1 14 14 GLU H H 14 8.904 8.904 8.227 0.677 19155 2869 1 7 . 1 1 15 15 TYR N N 15 122.592 122.592 121.599 0.993 19155 2870 1 7 . 1 1 15 15 TYR HA H 15 4.359 4.359 4.206 0.153 19155 2871 1 7 . 1 1 15 15 TYR C C 15 177.581 177.581 177.430 0.151 19155 2872 1 7 . 1 1 15 15 TYR CA C 15 62.430 62.430 60.600 1.830 19155 2873 1 7 . 1 1 15 15 TYR CB C 15 38.541 38.541 38.725 -0.184 19155 2874 1 7 . 1 1 15 15 TYR H H 15 8.170 8.170 7.893 0.277 19155 2875 1 7 . 1 1 16 16 VAL N N 16 116.497 116.497 119.267 -2.770 19155 2876 1 7 . 1 1 16 16 VAL HA H 16 3.386 3.386 3.241 0.145 19155 2877 1 7 . 1 1 16 16 VAL C C 16 177.221 177.221 177.537 -0.316 19155 2878 1 7 . 1 1 16 16 VAL CA C 16 68.053 68.053 67.150 0.903 19155 2879 1 7 . 1 1 16 16 VAL CB C 16 31.427 31.427 31.765 -0.338 19155 2880 1 7 . 1 1 16 16 VAL H H 16 7.953 7.953 8.274 -0.321 19155 2881 1 7 . 1 1 17 17 LYS N N 17 118.530 118.530 118.360 0.170 19155 2882 1 7 . 1 1 17 17 LYS HA H 17 3.922 3.922 3.957 -0.035 19155 2883 1 7 . 1 1 17 17 LYS C C 17 179.742 179.742 178.601 1.141 19155 2884 1 7 . 1 1 17 17 LYS CA C 17 60.145 60.145 59.523 0.622 19155 2885 1 7 . 1 1 17 17 LYS CB C 17 32.827 32.827 31.827 1.000 19155 2886 1 7 . 1 1 17 17 LYS H H 17 8.274 8.274 8.244 0.030 19155 2887 1 7 . 1 1 18 18 LYS N N 18 121.031 121.031 120.615 0.416 19155 2888 1 7 . 1 1 18 18 LYS HA H 18 4.018 4.018 4.093 -0.075 19155 2889 1 7 . 1 1 18 18 LYS C C 18 178.962 178.962 178.715 0.247 19155 2890 1 7 . 1 1 18 18 LYS CA C 18 59.085 59.085 59.397 -0.312 19155 2891 1 7 . 1 1 18 18 LYS CB C 18 32.132 32.132 32.552 -0.420 19155 2892 1 7 . 1 1 18 18 LYS H H 18 7.946 7.946 7.773 0.173 19155 2893 1 7 . 1 1 19 19 ILE N N 19 120.718 120.718 120.044 0.674 19155 2894 1 7 . 1 1 19 19 ILE HA H 19 3.727 3.727 3.755 -0.028 19155 2895 1 7 . 1 1 19 19 ILE C C 19 172.120 172.120 178.228 -6.108 19155 2896 1 7 . 1 1 19 19 ILE CA C 19 62.128 62.128 63.902 -1.774 19155 2897 1 7 . 1 1 19 19 ILE CB C 19 35.988 35.988 36.843 -0.855 19155 2898 1 7 . 1 1 19 19 ILE H H 19 7.796 7.796 8.264 -0.468 19155 2899 1 7 . 1 1 20 20 VAL N N 20 124.792 124.792 121.340 3.452 19155 2900 1 7 . 1 1 20 20 VAL HA H 20 3.312 3.312 3.575 -0.263 19155 2901 1 7 . 1 1 20 20 VAL C C 20 177.873 177.873 178.023 -0.150 19155 2902 1 7 . 1 1 20 20 VAL CA C 20 67.738 67.738 67.315 0.423 19155 2903 1 7 . 1 1 20 20 VAL CB C 20 31.772 31.772 30.972 0.800 19155 2904 1 7 . 1 1 20 20 VAL H H 20 9.190 9.190 8.549 0.641 19155 2905 1 7 . 1 1 21 21 GLY N N 21 106.034 106.034 107.175 -1.141 19155 2906 1 7 . 1 1 21 21 GLY C C 21 177.470 177.470 176.317 1.153 19155 2907 1 7 . 1 1 21 21 GLY CA C 21 47.226 47.226 47.281 -0.055 19155 2908 1 7 . 1 1 21 21 GLY H H 21 8.117 8.117 8.002 0.115 19155 2909 1 7 . 1 1 22 22 GLU N N 22 122.282 122.282 121.002 1.280 19155 2910 1 7 . 1 1 22 22 GLU HA H 22 4.104 4.104 4.043 0.061 19155 2911 1 7 . 1 1 22 22 GLU C C 22 178.827 178.827 179.007 -0.180 19155 2912 1 7 . 1 1 22 22 GLU CA C 22 59.016 59.016 58.857 0.159 19155 2913 1 7 . 1 1 22 22 GLU CB C 22 29.619 29.619 28.985 0.633 19155 2914 1 7 . 1 1 22 22 GLU H H 22 8.197 8.197 8.333 -0.136 19155 2915 1 7 . 1 1 23 23 SER N N 23 116.812 116.812 116.627 0.185 19155 2916 1 7 . 1 1 23 23 SER HA H 23 4.201 4.201 4.105 0.096 19155 2917 1 7 . 1 1 23 23 SER C C 23 177.084 177.084 176.374 0.710 19155 2918 1 7 . 1 1 23 23 SER CA C 23 61.998 61.998 61.492 0.506 19155 2919 1 7 . 1 1 23 23 SER CB C 23 62.105 62.105 63.022 -0.917 19155 2920 1 7 . 1 1 23 23 SER H H 23 8.285 8.285 8.203 0.082 19155 2921 1 7 . 1 1 24 24 TYR N N 24 120.879 120.879 117.258 3.621 19155 2922 1 7 . 1 1 24 24 TYR HA H 24 4.396 4.396 4.484 -0.088 19155 2923 1 7 . 1 1 24 24 TYR C C 24 178.846 178.846 176.066 2.780 19155 2924 1 7 . 1 1 24 24 TYR CA C 24 61.189 61.189 59.594 1.595 19155 2925 1 7 . 1 1 24 24 TYR CB C 24 37.866 37.866 38.142 -0.276 19155 2926 1 7 . 1 1 24 24 TYR H H 24 8.254 8.254 7.996 0.258 19155 2927 1 7 . 1 1 25 25 ALA N N 25 122.124 122.124 120.726 1.398 19155 2928 1 7 . 1 1 25 25 ALA HA H 25 4.251 4.251 4.289 -0.038 19155 2929 1 7 . 1 1 25 25 ALA C C 25 178.999 178.999 177.976 1.023 19155 2930 1 7 . 1 1 25 25 ALA CA C 25 54.608 54.608 53.388 1.220 19155 2931 1 7 . 1 1 25 25 ALA CB C 25 18.108 18.108 19.446 -1.338 19155 2932 1 7 . 1 1 25 25 ALA H H 25 8.018 8.018 7.252 0.766 19155 2933 1 7 . 1 1 26 26 LYS N N 26 115.251 115.251 118.926 -3.675 19155 2934 1 7 . 1 1 26 26 LYS HA H 26 4.459 4.459 4.320 0.139 19155 2935 1 7 . 1 1 26 26 LYS C C 26 176.598 176.598 177.645 -1.047 19155 2936 1 7 . 1 1 26 26 LYS CA C 26 56.209 56.209 56.489 -0.280 19155 2937 1 7 . 1 1 26 26 LYS CB C 26 33.191 33.191 33.105 0.086 19155 2938 1 7 . 1 1 26 26 LYS H H 26 7.533 7.533 8.201 -0.668 19155 2939 1 7 . 1 1 27 27 SER N N 27 115.400 115.400 116.634 -1.234 19155 2940 1 7 . 1 1 27 27 SER HA H 27 4.332 4.332 4.649 -0.317 19155 2941 1 7 . 1 1 27 27 SER C C 27 174.768 174.768 173.707 1.061 19155 2942 1 7 . 1 1 27 27 SER CA C 27 58.808 58.808 57.968 0.840 19155 2943 1 7 . 1 1 27 27 SER CB C 27 63.397 63.397 64.906 -1.509 19155 2944 1 7 . 1 1 27 27 SER H H 27 7.570 7.570 7.951 -0.381 19155 2945 1 7 . 1 1 28 28 THR N N 28 114.468 114.468 113.353 1.115 19155 2946 1 7 . 1 1 28 28 THR HA H 28 4.649 4.649 4.676 -0.027 19155 2947 1 7 . 1 1 28 28 THR CA C 28 60.242 60.242 60.605 -0.363 19155 2948 1 7 . 1 1 28 28 THR CB C 28 71.544 71.544 70.366 1.178 19155 2949 1 7 . 1 1 28 28 THR H H 28 7.725 7.725 8.457 -0.732 19155 2950 1 7 . 1 1 29 29 LYS HA H 29 4.300 4.300 4.085 0.215 19155 2951 1 7 . 1 1 29 29 LYS CA C 29 57.974 57.974 59.093 -1.119 19155 2952 1 7 . 1 1 29 29 LYS CB C 29 32.820 32.820 32.311 0.509 19155 2953 1 7 . 1 1 30 30 LYS HA H 30 4.154 4.154 4.153 0.001 19155 2954 1 7 . 1 1 30 30 LYS CA C 30 58.725 58.725 57.791 0.934 19155 2955 1 7 . 1 1 31 31 ARG HA H 31 4.533 4.533 4.675 -0.142 19155 2956 1 7 . 1 1 31 31 ARG CA C 31 56.137 56.137 54.068 2.070 19155 2957 1 7 . 1 1 31 31 ARG CB C 31 31.003 31.003 29.472 1.531 19155 2958 1 7 . 1 1 32 32 HIS HA H 32 4.570 4.570 4.225 0.345 19155 2959 1 7 . 1 1 32 32 HIS C C 32 176.136 176.136 176.359 -0.223 19155 2960 1 7 . 1 1 32 32 HIS CA C 32 58.689 58.689 60.952 -2.263 19155 2961 1 7 . 1 1 32 32 HIS CB C 32 30.731 30.731 29.756 0.975 19155 2962 1 7 . 1 1 33 33 THR N N 33 111.162 111.162 115.602 -4.440 19155 2963 1 7 . 1 1 33 33 THR HA H 33 3.976 3.976 3.999 -0.023 19155 2964 1 7 . 1 1 33 33 THR C C 33 176.807 176.807 176.705 0.102 19155 2965 1 7 . 1 1 33 33 THR CA C 33 65.194 65.194 67.281 -2.087 19155 2966 1 7 . 1 1 33 33 THR CB C 33 68.428 68.428 68.298 0.130 19155 2967 1 7 . 1 1 33 33 THR H H 33 8.355 8.355 8.707 -0.352 19155 2968 1 7 . 1 1 34 34 ILE N N 34 123.220 123.220 120.572 2.648 19155 2969 1 7 . 1 1 34 34 ILE HA H 34 4.047 4.047 4.002 0.045 19155 2970 1 7 . 1 1 34 34 ILE C C 34 176.944 176.944 177.815 -0.871 19155 2971 1 7 . 1 1 34 34 ILE CA C 34 63.746 63.746 63.166 0.579 19155 2972 1 7 . 1 1 34 34 ILE CB C 34 37.905 37.905 36.696 1.209 19155 2973 1 7 . 1 1 34 34 ILE H H 34 7.824 7.824 7.480 0.344 19155 2974 1 7 . 1 1 35 35 THR N N 35 118.694 118.694 118.380 0.314 19155 2975 1 7 . 1 1 35 35 THR HA H 35 4.103 4.103 3.861 0.242 19155 2976 1 7 . 1 1 35 35 THR C C 35 175.385 175.385 176.882 -1.497 19155 2977 1 7 . 1 1 35 35 THR CA C 35 63.339 63.339 66.779 -3.440 19155 2978 1 7 . 1 1 35 35 THR CB C 35 68.428 68.428 68.477 -0.049 19155 2979 1 7 . 1 1 35 35 THR H H 35 8.053 8.053 7.849 0.204 19155 2980 1 7 . 1 1 36 36 VAL N N 36 120.252 120.252 122.398 -2.146 19155 2981 1 7 . 1 1 36 36 VAL HA H 36 3.494 3.494 3.540 -0.046 19155 2982 1 7 . 1 1 36 36 VAL C C 36 177.667 177.667 177.791 -0.124 19155 2983 1 7 . 1 1 36 36 VAL CA C 36 66.312 66.312 66.667 -0.355 19155 2984 1 7 . 1 1 36 36 VAL CB C 36 31.787 31.787 31.442 0.345 19155 2985 1 7 . 1 1 36 36 VAL H H 36 8.148 8.148 8.249 -0.101 19155 2986 1 7 . 1 1 37 37 ALA N N 37 121.815 121.815 122.999 -1.184 19155 2987 1 7 . 1 1 37 37 ALA HA H 37 4.168 4.168 4.091 0.077 19155 2988 1 7 . 1 1 37 37 ALA C C 37 180.404 180.404 179.413 0.991 19155 2989 1 7 . 1 1 37 37 ALA CA C 37 55.062 55.062 55.466 -0.404 19155 2990 1 7 . 1 1 37 37 ALA CB C 37 18.114 18.114 18.496 -0.382 19155 2991 1 7 . 1 1 37 37 ALA H H 37 7.526 7.526 8.371 -0.845 19155 2992 1 7 . 1 1 38 38 LEU N N 38 122.124 122.124 119.248 2.876 19155 2993 1 7 . 1 1 38 38 LEU HA H 38 3.574 3.574 3.410 0.164 19155 2994 1 7 . 1 1 38 38 LEU C C 38 177.815 177.815 178.438 -0.623 19155 2995 1 7 . 1 1 38 38 LEU CA C 38 57.671 57.671 56.870 0.801 19155 2996 1 7 . 1 1 38 38 LEU CB C 38 40.383 40.383 41.219 -0.836 19155 2997 1 7 . 1 1 38 38 LEU H H 38 7.987 7.987 7.880 0.107 19155 2998 1 7 . 1 1 39 39 VAL N N 39 119.627 119.627 120.432 -0.805 19155 2999 1 7 . 1 1 39 39 VAL HA H 39 3.295 3.295 3.313 -0.018 19155 3000 1 7 . 1 1 39 39 VAL C C 39 178.084 178.084 177.665 0.419 19155 3001 1 7 . 1 1 39 39 VAL CA C 39 67.710 67.710 67.394 0.316 19155 3002 1 7 . 1 1 39 39 VAL CB C 39 31.393 31.393 31.396 -0.003 19155 3003 1 7 . 1 1 39 39 VAL H H 39 8.410 8.410 8.489 -0.079 19155 3004 1 7 . 1 1 40 40 ASN N N 40 117.904 117.904 117.396 0.508 19155 3005 1 7 . 1 1 40 40 ASN HA H 40 4.528 4.528 4.436 0.092 19155 3006 1 7 . 1 1 40 40 ASN C C 40 177.814 177.814 177.876 -0.062 19155 3007 1 7 . 1 1 40 40 ASN CA C 40 56.214 56.214 56.361 -0.147 19155 3008 1 7 . 1 1 40 40 ASN CB C 40 37.990 37.990 38.352 -0.362 19155 3009 1 7 . 1 1 40 40 ASN H H 40 8.211 8.211 8.149 0.062 19155 3010 1 7 . 1 1 41 41 GLU N N 41 122.117 122.117 121.758 0.359 19155 3011 1 7 . 1 1 41 41 GLU HA H 41 4.330 4.330 4.147 0.183 19155 3012 1 7 . 1 1 41 41 GLU C C 41 179.186 179.186 178.572 0.614 19155 3013 1 7 . 1 1 41 41 GLU CA C 41 59.444 59.444 58.796 0.648 19155 3014 1 7 . 1 1 41 41 GLU CB C 41 28.935 28.935 29.369 -0.433 19155 3015 1 7 . 1 1 41 41 GLU H H 41 7.895 7.895 8.011 -0.116 19155 3016 1 7 . 1 1 42 42 LEU N N 42 118.997 118.997 119.135 -0.138 19155 3017 1 7 . 1 1 42 42 LEU HA H 42 4.036 4.036 3.765 0.271 19155 3018 1 7 . 1 1 42 42 LEU C C 42 179.072 179.072 178.823 0.249 19155 3019 1 7 . 1 1 42 42 LEU CA C 42 58.028 58.028 58.396 -0.368 19155 3020 1 7 . 1 1 42 42 LEU CB C 42 41.053 41.053 41.474 -0.421 19155 3021 1 7 . 1 1 42 42 LEU H H 42 8.915 8.915 8.601 0.314 19155 3022 1 7 . 1 1 43 43 ASN N N 43 117.439 117.439 116.861 0.578 19155 3023 1 7 . 1 1 43 43 ASN HA H 43 4.560 4.560 4.472 0.088 19155 3024 1 7 . 1 1 43 43 ASN C C 43 177.692 177.692 177.249 0.443 19155 3025 1 7 . 1 1 43 43 ASN CA C 43 56.224 56.224 56.379 -0.155 19155 3026 1 7 . 1 1 43 43 ASN CB C 43 38.241 38.241 38.257 -0.016 19155 3027 1 7 . 1 1 43 43 ASN H H 43 8.436 8.436 8.287 0.149 19155 3028 1 7 . 1 1 44 44 ASN N N 44 121.188 121.188 120.589 0.599 19155 3029 1 7 . 1 1 44 44 ASN HA H 44 4.647 4.647 4.608 0.039 19155 3030 1 7 . 1 1 44 44 ASN C C 44 178.704 178.704 177.376 1.328 19155 3031 1 7 . 1 1 44 44 ASN CA C 44 56.233 56.233 55.852 0.381 19155 3032 1 7 . 1 1 44 44 ASN CB C 44 37.466 37.466 38.545 -1.079 19155 3033 1 7 . 1 1 44 44 ASN H H 44 8.079 8.079 7.790 0.289 19155 3034 1 7 . 1 1 45 45 ILE N N 45 124.315 124.315 121.489 2.826 19155 3035 1 7 . 1 1 45 45 ILE HA H 45 3.985 3.985 3.768 0.217 19155 3036 1 7 . 1 1 45 45 ILE C C 45 177.925 177.925 178.328 -0.403 19155 3037 1 7 . 1 1 45 45 ILE CA C 45 65.578 65.578 65.608 -0.030 19155 3038 1 7 . 1 1 45 45 ILE CB C 45 38.903 38.903 37.750 1.153 19155 3039 1 7 . 1 1 45 45 ILE H H 45 8.533 8.533 8.586 -0.053 19155 3040 1 7 . 1 1 46 46 LYS N N 46 119.624 119.624 119.942 -0.318 19155 3041 1 7 . 1 1 46 46 LYS HA H 46 3.743 3.743 3.899 -0.156 19155 3042 1 7 . 1 1 46 46 LYS C C 46 177.699 177.699 178.628 -0.929 19155 3043 1 7 . 1 1 46 46 LYS CA C 46 60.161 60.161 60.374 -0.213 19155 3044 1 7 . 1 1 46 46 LYS CB C 46 31.420 31.420 32.293 -0.873 19155 3045 1 7 . 1 1 46 46 LYS H H 46 8.660 8.660 8.222 0.438 19155 3046 1 7 . 1 1 47 47 ASN N N 47 116.034 116.034 117.930 -1.896 19155 3047 1 7 . 1 1 47 47 ASN HA H 47 4.468 4.468 4.395 0.073 19155 3048 1 7 . 1 1 47 47 ASN C C 47 177.768 177.768 177.275 0.493 19155 3049 1 7 . 1 1 47 47 ASN CA C 47 56.538 56.538 56.682 -0.144 19155 3050 1 7 . 1 1 47 47 ASN CB C 47 37.882 37.882 38.420 -0.538 19155 3051 1 7 . 1 1 47 47 ASN H H 47 8.344 8.344 8.315 0.029 19155 3052 1 7 . 1 1 48 48 GLU N N 48 121.665 121.665 120.702 0.963 19155 3053 1 7 . 1 1 48 48 GLU HA H 48 4.044 4.044 3.969 0.075 19155 3054 1 7 . 1 1 48 48 GLU C C 48 179.915 179.915 179.074 0.841 19155 3055 1 7 . 1 1 48 48 GLU CA C 48 59.444 59.444 59.635 -0.191 19155 3056 1 7 . 1 1 48 48 GLU CB C 48 29.230 29.230 29.839 -0.609 19155 3057 1 7 . 1 1 48 48 GLU H H 48 8.301 8.301 8.455 -0.154 19155 3058 1 7 . 1 1 49 49 TYR N N 49 117.600 117.600 118.343 -0.743 19155 3059 1 7 . 1 1 49 49 TYR HA H 49 3.992 3.992 4.264 -0.272 19155 3060 1 7 . 1 1 49 49 TYR C C 49 178.275 178.275 178.144 0.131 19155 3061 1 7 . 1 1 49 49 TYR CA C 49 64.508 64.508 61.597 2.911 19155 3062 1 7 . 1 1 49 49 TYR CB C 49 37.881 37.881 38.704 -0.823 19155 3063 1 7 . 1 1 49 49 TYR H H 49 8.581 8.581 8.391 0.190 19155 3064 1 7 . 1 1 50 50 LEU N N 50 122.126 122.126 121.427 0.699 19155 3065 1 7 . 1 1 50 50 LEU HA H 50 4.181 4.181 3.823 0.358 19155 3066 1 7 . 1 1 50 50 LEU C C 50 180.089 180.089 178.602 1.487 19155 3067 1 7 . 1 1 50 50 LEU CA C 50 59.061 59.061 58.827 0.234 19155 3068 1 7 . 1 1 50 50 LEU CB C 50 40.096 40.096 41.482 -1.386 19155 3069 1 7 . 1 1 50 50 LEU H H 50 9.207 9.207 8.968 0.239 19155 3070 1 7 . 1 1 51 51 ASN N N 51 117.124 117.124 116.773 0.351 19155 3071 1 7 . 1 1 51 51 ASN HA H 51 4.535 4.535 4.444 0.091 19155 3072 1 7 . 1 1 51 51 ASN C C 51 177.522 177.522 177.769 -0.247 19155 3073 1 7 . 1 1 51 51 ASN CA C 51 56.240 56.240 56.294 -0.054 19155 3074 1 7 . 1 1 51 51 ASN CB C 51 37.898 37.898 38.600 -0.702 19155 3075 1 7 . 1 1 51 51 ASN H H 51 7.634 7.634 8.191 -0.557 19155 3076 1 7 . 1 1 52 52 LYS N N 52 119.154 119.154 120.690 -1.536 19155 3077 1 7 . 1 1 52 52 LYS HA H 52 4.037 4.037 3.967 0.070 19155 3078 1 7 . 1 1 52 52 LYS C C 52 179.905 179.905 179.121 0.784 19155 3079 1 7 . 1 1 52 52 LYS CA C 52 59.803 59.803 59.427 0.376 19155 3080 1 7 . 1 1 52 52 LYS CB C 52 33.215 33.215 32.340 0.875 19155 3081 1 7 . 1 1 52 52 LYS H H 52 7.663 7.663 7.522 0.141 19155 3082 1 7 . 1 1 53 53 ILE N N 53 121.662 121.662 121.582 0.080 19155 3083 1 7 . 1 1 53 53 ILE HA H 53 3.532 3.532 3.812 -0.280 19155 3084 1 7 . 1 1 53 53 ILE C C 53 178.489 178.489 178.908 -0.419 19155 3085 1 7 . 1 1 53 53 ILE CA C 53 65.906 65.906 65.223 0.683 19155 3086 1 7 . 1 1 53 53 ILE CB C 53 38.249 38.249 38.153 0.096 19155 3087 1 7 . 1 1 53 53 ILE H H 53 8.493 8.493 8.452 0.041 19155 3088 1 7 . 1 1 54 54 VAL N N 54 119.477 119.477 119.614 -0.137 19155 3089 1 7 . 1 1 54 54 VAL HA H 54 3.647 3.647 3.690 -0.043 19155 3090 1 7 . 1 1 54 54 VAL C C 54 176.683 176.683 176.761 -0.078 19155 3091 1 7 . 1 1 54 54 VAL CA C 54 66.643 66.643 65.860 0.783 19155 3092 1 7 . 1 1 54 54 VAL CB C 54 31.448 31.448 31.964 -0.516 19155 3093 1 7 . 1 1 54 54 VAL H H 54 7.598 7.598 8.300 -0.702 19155 3094 1 7 . 1 1 55 55 GLU N N 55 114.467 114.467 118.136 -3.669 19155 3095 1 7 . 1 1 55 55 GLU HA H 55 4.281 4.281 4.376 -0.095 19155 3096 1 7 . 1 1 55 55 GLU C C 55 176.914 176.914 175.750 1.164 19155 3097 1 7 . 1 1 55 55 GLU CA C 55 56.195 56.195 55.105 1.090 19155 3098 1 7 . 1 1 55 55 GLU CB C 55 30.354 30.354 29.311 1.043 19155 3099 1 7 . 1 1 55 55 GLU H H 55 7.064 7.064 7.982 -0.918 19155 3100 1 7 . 1 1 56 56 SER N N 56 116.806 116.806 116.736 0.070 19155 3101 1 7 . 1 1 56 56 SER HA H 56 4.435 4.435 4.414 0.021 19155 3102 1 7 . 1 1 56 56 SER C C 56 175.566 175.566 175.216 0.350 19155 3103 1 7 . 1 1 56 56 SER CA C 56 60.163 60.163 59.271 0.892 19155 3104 1 7 . 1 1 56 56 SER CB C 56 64.439 64.439 63.155 1.284 19155 3105 1 7 . 1 1 56 56 SER H H 56 7.504 7.504 7.435 0.069 19155 3106 1 7 . 1 1 57 57 THR N N 57 111.347 111.347 122.427 -11.080 19155 3107 1 7 . 1 1 57 57 THR HA H 57 4.539 4.539 4.308 0.231 19155 3108 1 7 . 1 1 57 57 THR C C 57 174.424 174.424 173.585 0.839 19155 3109 1 7 . 1 1 57 57 THR CA C 57 61.518 61.518 61.948 -0.430 19155 3110 1 7 . 1 1 57 57 THR CB C 57 70.377 70.377 68.107 2.270 19155 3111 1 7 . 1 1 57 57 THR H H 57 9.083 9.083 8.822 0.261 19155 3112 1 7 . 1 1 58 58 SER N N 58 115.415 115.415 116.240 -0.825 19155 3113 1 7 . 1 1 58 58 SER HA H 58 5.059 5.059 4.633 0.426 19155 3114 1 7 . 1 1 58 58 SER C C 58 174.278 174.278 173.611 0.667 19155 3115 1 7 . 1 1 58 58 SER CA C 58 56.928 56.928 57.803 -0.875 19155 3116 1 7 . 1 1 58 58 SER CB C 58 66.570 66.570 65.137 1.433 19155 3117 1 7 . 1 1 58 58 SER H H 58 7.689 7.689 7.527 0.162 19155 3118 1 7 . 1 1 59 59 GLU N N 59 124.305 124.305 126.606 -2.301 19155 3119 1 7 . 1 1 59 59 GLU HA H 59 3.990 3.990 4.081 -0.091 19155 3120 1 7 . 1 1 59 59 GLU C C 59 179.113 179.113 177.820 1.293 19155 3121 1 7 . 1 1 59 59 GLU CA C 59 60.159 60.159 59.095 1.064 19155 3122 1 7 . 1 1 59 59 GLU CB C 59 29.616 29.616 29.576 0.039 19155 3123 1 7 . 1 1 59 59 GLU H H 59 9.719 9.719 8.881 0.838 19155 3124 1 7 . 1 1 60 60 SER N N 60 115.406 115.406 116.507 -1.101 19155 3125 1 7 . 1 1 60 60 SER HA H 60 4.249 4.249 4.044 0.205 19155 3126 1 7 . 1 1 60 60 SER C C 60 177.307 177.307 176.846 0.461 19155 3127 1 7 . 1 1 60 60 SER CA C 60 61.259 61.259 60.980 0.279 19155 3128 1 7 . 1 1 60 60 SER CB C 60 61.960 61.960 62.314 -0.354 19155 3129 1 7 . 1 1 60 60 SER H H 60 8.614 8.614 8.323 0.291 19155 3130 1 7 . 1 1 61 61 GLN N N 61 121.656 121.656 121.789 -0.133 19155 3131 1 7 . 1 1 61 61 GLN HA H 61 4.107 4.107 4.124 -0.017 19155 3132 1 7 . 1 1 61 61 GLN C C 61 178.777 178.777 178.383 0.394 19155 3133 1 7 . 1 1 61 61 GLN CA C 61 58.743 58.743 58.535 0.208 19155 3134 1 7 . 1 1 61 61 GLN CB C 61 28.900 28.900 28.363 0.537 19155 3135 1 7 . 1 1 61 61 GLN H H 61 7.669 7.669 8.252 -0.583 19155 3136 1 7 . 1 1 62 62 LEU N N 62 118.689 118.689 118.719 -0.030 19155 3137 1 7 . 1 1 62 62 LEU HA H 62 4.035 4.035 3.980 0.055 19155 3138 1 7 . 1 1 62 62 LEU C C 62 178.363 178.363 179.454 -1.091 19155 3139 1 7 . 1 1 62 62 LEU CA C 62 58.725 58.725 57.829 0.896 19155 3140 1 7 . 1 1 62 62 LEU CB C 62 41.836 41.836 41.759 0.077 19155 3141 1 7 . 1 1 62 62 LEU H H 62 7.736 7.736 7.863 -0.127 19155 3142 1 7 . 1 1 63 63 GLN N N 63 117.441 117.441 117.269 0.172 19155 3143 1 7 . 1 1 63 63 GLN HA H 63 4.078 4.078 4.027 0.051 19155 3144 1 7 . 1 1 63 63 GLN C C 63 179.312 179.312 178.642 0.670 19155 3145 1 7 . 1 1 63 63 GLN CA C 63 59.062 59.062 58.658 0.404 19155 3146 1 7 . 1 1 63 63 GLN CB C 63 27.819 27.819 28.810 -0.991 19155 3147 1 7 . 1 1 63 63 GLN H H 63 7.943 7.943 7.561 0.382 19155 3148 1 7 . 1 1 64 64 ILE N N 64 120.406 120.406 119.845 0.561 19155 3149 1 7 . 1 1 64 64 ILE HA H 64 3.809 3.809 3.923 -0.114 19155 3150 1 7 . 1 1 64 64 ILE C C 64 178.734 178.734 178.008 0.726 19155 3151 1 7 . 1 1 64 64 ILE CA C 64 64.722 64.722 61.794 2.928 19155 3152 1 7 . 1 1 64 64 ILE CB C 64 37.971 37.971 36.756 1.215 19155 3153 1 7 . 1 1 64 64 ILE H H 64 7.544 7.544 7.550 -0.005 19155 3154 1 7 . 1 1 65 65 LEU N N 65 120.247 120.247 119.879 0.368 19155 3155 1 7 . 1 1 65 65 LEU HA H 65 4.212 4.212 4.115 0.097 19155 3156 1 7 . 1 1 65 65 LEU C C 65 179.685 179.685 179.118 0.567 19155 3157 1 7 . 1 1 65 65 LEU CA C 65 58.004 58.004 58.090 -0.086 19155 3158 1 7 . 1 1 65 65 LEU CB C 65 42.553 42.553 41.222 1.331 19155 3159 1 7 . 1 1 65 65 LEU H H 65 8.361 8.361 8.538 -0.177 19155 3160 1 7 . 1 1 66 66 MET N N 66 118.685 118.685 118.288 0.397 19155 3161 1 7 . 1 1 66 66 MET HA H 66 3.918 3.918 4.135 -0.217 19155 3162 1 7 . 1 1 66 66 MET C C 66 178.906 178.906 178.752 0.154 19155 3163 1 7 . 1 1 66 66 MET CA C 66 59.467 59.467 59.388 0.079 19155 3164 1 7 . 1 1 66 66 MET CB C 66 33.519 33.519 32.588 0.931 19155 3165 1 7 . 1 1 66 66 MET H H 66 8.458 8.458 7.514 0.944 19155 3166 1 7 . 1 1 67 67 MET N N 67 118.685 118.685 118.631 0.054 19155 3167 1 7 . 1 1 67 67 MET HA H 67 4.098 4.098 4.041 0.057 19155 3168 1 7 . 1 1 67 67 MET C C 67 178.781 178.781 178.637 0.144 19155 3169 1 7 . 1 1 67 67 MET CA C 67 58.379 58.379 59.273 -0.894 19155 3170 1 7 . 1 1 67 67 MET CB C 67 32.031 32.031 32.181 -0.150 19155 3171 1 7 . 1 1 67 67 MET H H 67 7.559 7.559 7.516 0.043 19155 3172 1 7 . 1 1 68 68 GLU N N 68 122.128 122.128 119.449 2.679 19155 3173 1 7 . 1 1 68 68 GLU HA H 68 3.990 3.990 4.010 -0.020 19155 3174 1 7 . 1 1 68 68 GLU C C 68 178.803 178.803 179.164 -0.361 19155 3175 1 7 . 1 1 68 68 GLU CA C 68 59.459 59.459 59.787 -0.328 19155 3176 1 7 . 1 1 68 68 GLU CB C 68 30.706 30.706 29.365 1.341 19155 3177 1 7 . 1 1 68 68 GLU H H 68 8.895 8.895 8.713 0.183 19155 3178 1 7 . 1 1 69 69 SER N N 69 114.769 114.769 114.686 0.083 19155 3179 1 7 . 1 1 69 69 SER HA H 69 2.872 2.872 3.520 -0.648 19155 3180 1 7 . 1 1 69 69 SER C C 69 175.801 175.801 176.461 -0.660 19155 3181 1 7 . 1 1 69 69 SER CA C 69 62.000 62.000 61.681 0.319 19155 3182 1 7 . 1 1 69 69 SER CB C 69 62.282 62.282 62.316 -0.034 19155 3183 1 7 . 1 1 69 69 SER H H 69 8.161 8.161 8.069 0.092 19155 3184 1 7 . 1 1 70 70 ARG N N 70 120.552 120.552 122.361 -1.809 19155 3185 1 7 . 1 1 70 70 ARG HA H 70 3.744 3.744 4.130 -0.386 19155 3186 1 7 . 1 1 70 70 ARG C C 70 177.654 177.654 178.663 -1.009 19155 3187 1 7 . 1 1 70 70 ARG CA C 70 59.793 59.793 59.987 -0.194 19155 3188 1 7 . 1 1 70 70 ARG CB C 70 29.974 29.974 29.927 0.047 19155 3189 1 7 . 1 1 70 70 ARG H H 70 6.945 6.945 8.276 -1.331 19155 3190 1 7 . 1 1 71 71 SER N N 71 113.064 113.064 115.730 -2.666 19155 3191 1 7 . 1 1 71 71 SER HA H 71 4.275 4.275 4.091 0.184 19155 3192 1 7 . 1 1 71 71 SER C C 71 177.491 177.491 176.355 1.136 19155 3193 1 7 . 1 1 71 71 SER CA C 71 61.571 61.571 62.255 -0.684 19155 3194 1 7 . 1 1 71 71 SER CB C 71 62.710 62.710 62.868 -0.158 19155 3195 1 7 . 1 1 71 71 SER H H 71 7.721 7.721 8.475 -0.754 19155 3196 1 7 . 1 1 72 72 LYS N N 72 121.657 121.657 122.586 -0.929 19155 3197 1 7 . 1 1 72 72 LYS HA H 72 4.170 4.170 4.055 0.115 19155 3198 1 7 . 1 1 72 72 LYS C C 72 180.429 180.429 178.937 1.492 19155 3199 1 7 . 1 1 72 72 LYS CA C 72 58.725 58.725 59.364 -0.639 19155 3200 1 7 . 1 1 72 72 LYS CB C 72 32.131 32.131 32.392 -0.261 19155 3201 1 7 . 1 1 72 72 LYS H H 72 8.414 8.414 7.849 0.565 19155 3202 1 7 . 1 1 73 73 VAL N N 73 123.222 123.222 120.212 3.010 19155 3203 1 7 . 1 1 73 73 VAL HA H 73 3.598 3.598 3.535 0.063 19155 3204 1 7 . 1 1 73 73 VAL C C 73 176.929 176.929 177.454 -0.525 19155 3205 1 7 . 1 1 73 73 VAL CA C 73 66.975 66.975 66.970 0.005 19155 3206 1 7 . 1 1 73 73 VAL CB C 73 31.704 31.704 30.981 0.723 19155 3207 1 7 . 1 1 73 73 VAL H H 73 8.421 8.421 8.361 0.060 19155 3208 1 7 . 1 1 74 74 ASP N N 74 120.101 120.101 120.256 -0.155 19155 3209 1 7 . 1 1 74 74 ASP HA H 74 4.393 4.393 4.360 0.033 19155 3210 1 7 . 1 1 74 74 ASP C C 74 180.001 180.001 178.294 1.707 19155 3211 1 7 . 1 1 74 74 ASP CA C 74 57.324 57.324 58.289 -0.965 19155 3212 1 7 . 1 1 74 74 ASP CB C 74 39.326 39.326 41.141 -1.815 19155 3213 1 7 . 1 1 74 74 ASP H H 74 8.674 8.674 8.348 0.326 19155 3214 1 7 . 1 1 75 75 GLU N N 75 121.349 121.349 120.373 0.976 19155 3215 1 7 . 1 1 75 75 GLU HA H 75 4.113 4.113 4.001 0.112 19155 3216 1 7 . 1 1 75 75 GLU C C 75 178.732 178.732 178.704 0.028 19155 3217 1 7 . 1 1 75 75 GLU CA C 75 59.083 59.083 59.553 -0.470 19155 3218 1 7 . 1 1 75 75 GLU CB C 75 29.975 29.975 29.718 0.257 19155 3219 1 7 . 1 1 75 75 GLU H H 75 8.475 8.475 8.317 0.158 19155 3220 1 7 . 1 1 76 76 ALA N N 76 124.160 124.160 122.418 1.742 19155 3221 1 7 . 1 1 76 76 ALA HA H 76 4.281 4.281 4.227 0.054 19155 3222 1 7 . 1 1 76 76 ALA C C 76 179.906 179.906 179.920 -0.014 19155 3223 1 7 . 1 1 76 76 ALA CA C 76 55.530 55.530 55.289 0.241 19155 3224 1 7 . 1 1 76 76 ALA CB C 76 17.424 17.424 18.334 -0.910 19155 3225 1 7 . 1 1 76 76 ALA H H 76 7.944 7.944 8.129 -0.185 19155 3226 1 7 . 1 1 77 77 VAL N N 77 117.439 117.439 118.803 -1.364 19155 3227 1 7 . 1 1 77 77 VAL HA H 77 3.644 3.644 3.568 0.076 19155 3228 1 7 . 1 1 77 77 VAL C C 77 178.784 178.784 178.317 0.467 19155 3229 1 7 . 1 1 77 77 VAL CA C 77 66.958 66.958 66.623 0.335 19155 3230 1 7 . 1 1 77 77 VAL CB C 77 31.807 31.807 30.886 0.921 19155 3231 1 7 . 1 1 77 77 VAL H H 77 8.204 8.204 8.074 0.130 19155 3232 1 7 . 1 1 78 78 SER N N 78 113.687 113.687 114.174 -0.487 19155 3233 1 7 . 1 1 78 78 SER HA H 78 4.266 4.266 4.370 -0.104 19155 3234 1 7 . 1 1 78 78 SER C C 78 176.762 176.762 175.188 1.574 19155 3235 1 7 . 1 1 78 78 SER CA C 78 61.241 61.241 61.001 0.240 19155 3236 1 7 . 1 1 78 78 SER CB C 78 62.678 62.678 63.310 -0.632 19155 3237 1 7 . 1 1 78 78 SER H H 78 7.935 7.935 8.440 -0.505 19155 3238 1 7 . 1 1 79 79 LYS N N 79 121.029 121.029 119.279 1.750 19155 3239 1 7 . 1 1 79 79 LYS HA H 79 4.070 4.070 4.115 -0.045 19155 3240 1 7 . 1 1 79 79 LYS C C 79 178.135 178.135 179.494 -1.359 19155 3241 1 7 . 1 1 79 79 LYS CA C 79 58.723 58.723 58.894 -0.171 19155 3242 1 7 . 1 1 79 79 LYS CB C 79 32.489 32.489 32.725 -0.236 19155 3243 1 7 . 1 1 79 79 LYS H H 79 7.989 7.989 7.875 0.114 19155 3244 1 7 . 1 1 80 80 PHE N N 80 117.437 117.437 118.551 -1.114 19155 3245 1 7 . 1 1 80 80 PHE HA H 80 4.490 4.490 4.401 0.089 19155 3246 1 7 . 1 1 80 80 PHE C C 80 176.236 176.236 177.159 -0.923 19155 3247 1 7 . 1 1 80 80 PHE CA C 80 59.444 59.444 60.524 -1.080 19155 3248 1 7 . 1 1 80 80 PHE CB C 80 40.032 40.032 39.839 0.193 19155 3249 1 7 . 1 1 80 80 PHE H H 80 7.838 7.838 8.196 -0.358 19155 3250 1 7 . 1 1 81 81 GLU N N 81 120.092 120.092 117.397 2.695 19155 3251 1 7 . 1 1 81 81 GLU HA H 81 4.290 4.290 4.353 -0.063 19155 3252 1 7 . 1 1 81 81 GLU C C 81 175.715 175.715 176.396 -0.681 19155 3253 1 7 . 1 1 81 81 GLU CA C 81 56.928 56.928 56.099 0.829 19155 3254 1 7 . 1 1 81 81 GLU CB C 81 29.997 29.997 29.463 0.534 19155 3255 1 7 . 1 1 81 81 GLU H H 81 7.864 7.864 8.092 -0.228 19155 3256 1 8 . 1 1 2 2 ASP N N 2 119.961 119.961 122.350 -2.389 19155 3257 1 8 . 1 1 2 2 ASP HA H 2 4.440 4.440 4.228 0.212 19155 3258 1 8 . 1 1 2 2 ASP C C 2 178.594 178.594 177.539 1.055 19155 3259 1 8 . 1 1 2 2 ASP CA C 2 57.997 57.997 57.086 0.911 19155 3260 1 8 . 1 1 2 2 ASP CB C 2 40.098 40.098 39.574 0.524 19155 3261 1 8 . 1 1 2 2 ASP H H 2 8.260 8.260 8.865 -0.605 19155 3262 1 8 . 1 1 3 3 SER N N 3 115.401 115.401 115.844 -0.443 19155 3263 1 8 . 1 1 3 3 SER HA H 3 4.358 4.358 4.329 0.029 19155 3264 1 8 . 1 1 3 3 SER C C 3 177.657 177.657 176.314 1.343 19155 3265 1 8 . 1 1 3 3 SER CA C 3 60.656 60.656 60.579 0.077 19155 3266 1 8 . 1 1 3 3 SER CB C 3 62.319 62.319 62.993 -0.674 19155 3267 1 8 . 1 1 3 3 SER H H 3 8.112 8.112 8.177 -0.065 19155 3268 1 8 . 1 1 4 4 GLU N N 4 122.287 122.287 122.800 -0.513 19155 3269 1 8 . 1 1 4 4 GLU HA H 4 4.045 4.045 4.205 -0.160 19155 3270 1 8 . 1 1 4 4 GLU C C 4 180.035 180.035 178.421 1.614 19155 3271 1 8 . 1 1 4 4 GLU CA C 4 59.072 59.072 58.754 0.318 19155 3272 1 8 . 1 1 4 4 GLU CB C 4 28.538 28.538 29.694 -1.156 19155 3273 1 8 . 1 1 4 4 GLU H H 4 8.472 8.472 7.507 0.965 19155 3274 1 8 . 1 1 5 5 ARG N N 5 121.026 121.026 117.281 3.745 19155 3275 1 8 . 1 1 5 5 ARG HA H 5 3.894 3.894 4.183 -0.289 19155 3276 1 8 . 1 1 5 5 ARG C C 5 178.298 178.298 177.128 1.170 19155 3277 1 8 . 1 1 5 5 ARG CA C 5 60.564 60.564 57.789 2.775 19155 3278 1 8 . 1 1 5 5 ARG CB C 5 30.681 30.681 29.496 1.185 19155 3279 1 8 . 1 1 5 5 ARG H H 5 8.771 8.771 8.296 0.475 19155 3280 1 8 . 1 1 6 6 ASP N N 6 119.775 119.775 118.744 1.031 19155 3281 1 8 . 1 1 6 6 ASP HA H 6 4.455 4.455 4.714 -0.259 19155 3282 1 8 . 1 1 6 6 ASP C C 6 178.676 178.676 177.530 1.146 19155 3283 1 8 . 1 1 6 6 ASP CA C 6 57.956 57.956 56.795 1.161 19155 3284 1 8 . 1 1 6 6 ASP CB C 6 40.774 40.774 41.235 -0.461 19155 3285 1 8 . 1 1 6 6 ASP H H 6 7.889 7.889 7.765 0.124 19155 3286 1 8 . 1 1 7 7 LYS N N 7 119.937 119.937 121.104 -1.167 19155 3287 1 8 . 1 1 7 7 LYS HA H 7 4.014 4.014 4.070 -0.056 19155 3288 1 8 . 1 1 7 7 LYS C C 7 178.977 178.977 178.662 0.315 19155 3289 1 8 . 1 1 7 7 LYS CA C 7 59.793 59.793 59.424 0.369 19155 3290 1 8 . 1 1 7 7 LYS CB C 7 32.850 32.850 32.442 0.408 19155 3291 1 8 . 1 1 7 7 LYS H H 7 7.950 7.950 7.620 0.330 19155 3292 1 8 . 1 1 8 8 ALA N N 8 122.436 122.436 121.051 1.385 19155 3293 1 8 . 1 1 8 8 ALA HA H 8 4.478 4.478 4.139 0.339 19155 3294 1 8 . 1 1 8 8 ALA C C 8 178.764 178.764 178.914 -0.150 19155 3295 1 8 . 1 1 8 8 ALA CA C 8 55.168 55.168 55.293 -0.125 19155 3296 1 8 . 1 1 8 8 ALA CB C 8 19.502 19.502 18.666 0.836 19155 3297 1 8 . 1 1 8 8 ALA H H 8 7.976 7.976 8.348 -0.372 19155 3298 1 8 . 1 1 9 9 ARG N N 9 118.059 118.059 117.346 0.713 19155 3299 1 8 . 1 1 9 9 ARG HA H 9 3.801 3.801 4.122 -0.321 19155 3300 1 8 . 1 1 9 9 ARG C C 9 177.874 177.874 178.225 -0.351 19155 3301 1 8 . 1 1 9 9 ARG CA C 9 59.794 59.794 58.741 1.053 19155 3302 1 8 . 1 1 9 9 ARG CB C 9 29.989 29.989 29.730 0.259 19155 3303 1 8 . 1 1 9 9 ARG H H 9 8.489 8.489 7.966 0.523 19155 3304 1 8 . 1 1 10 10 LYS N N 10 118.064 118.064 120.716 -2.652 19155 3305 1 8 . 1 1 10 10 LYS HA H 10 4.138 4.138 4.028 0.110 19155 3306 1 8 . 1 1 10 10 LYS C C 10 178.619 178.619 178.761 -0.142 19155 3307 1 8 . 1 1 10 10 LYS CA C 10 59.421 59.421 59.011 0.410 19155 3308 1 8 . 1 1 10 10 LYS CB C 10 32.467 32.467 31.816 0.651 19155 3309 1 8 . 1 1 10 10 LYS H H 10 7.833 7.833 8.223 -0.390 19155 3310 1 8 . 1 1 11 11 GLU N N 11 118.845 118.845 119.173 -0.328 19155 3311 1 8 . 1 1 11 11 GLU HA H 11 4.107 4.107 4.120 -0.013 19155 3312 1 8 . 1 1 11 11 GLU C C 11 180.137 180.137 178.875 1.262 19155 3313 1 8 . 1 1 11 11 GLU CA C 11 59.803 59.803 59.117 0.686 19155 3314 1 8 . 1 1 11 11 GLU CB C 11 29.248 29.248 29.384 -0.136 19155 3315 1 8 . 1 1 11 11 GLU H H 11 7.991 7.991 7.837 0.154 19155 3316 1 8 . 1 1 12 12 VAL N N 12 120.562 120.562 115.499 5.063 19155 3317 1 8 . 1 1 12 12 VAL HA H 12 3.851 3.851 3.926 -0.075 19155 3318 1 8 . 1 1 12 12 VAL C C 12 178.182 178.182 177.841 0.341 19155 3319 1 8 . 1 1 12 12 VAL CA C 12 66.625 66.625 65.411 1.214 19155 3320 1 8 . 1 1 12 12 VAL CB C 12 31.784 31.784 30.768 1.016 19155 3321 1 8 . 1 1 12 12 VAL H H 12 8.173 8.173 7.389 0.784 19155 3322 1 8 . 1 1 13 13 GLU N N 13 117.912 117.912 122.296 -4.384 19155 3323 1 8 . 1 1 13 13 GLU HA H 13 3.841 3.841 3.934 -0.093 19155 3324 1 8 . 1 1 13 13 GLU C C 13 179.959 179.959 179.031 0.928 19155 3325 1 8 . 1 1 13 13 GLU CA C 13 60.498 60.498 60.727 -0.229 19155 3326 1 8 . 1 1 13 13 GLU CB C 13 30.014 30.014 29.573 0.441 19155 3327 1 8 . 1 1 13 13 GLU H H 13 8.624 8.624 8.688 -0.064 19155 3328 1 8 . 1 1 14 14 GLU N N 14 117.909 117.909 118.581 -0.672 19155 3329 1 8 . 1 1 14 14 GLU HA H 14 4.025 4.025 4.094 -0.069 19155 3330 1 8 . 1 1 14 14 GLU C C 14 179.020 179.020 178.975 0.045 19155 3331 1 8 . 1 1 14 14 GLU CA C 14 59.442 59.442 58.776 0.666 19155 3332 1 8 . 1 1 14 14 GLU CB C 14 29.257 29.257 29.209 0.048 19155 3333 1 8 . 1 1 14 14 GLU H H 14 8.904 8.904 7.982 0.922 19155 3334 1 8 . 1 1 15 15 TYR N N 15 122.592 122.592 122.332 0.260 19155 3335 1 8 . 1 1 15 15 TYR HA H 15 4.359 4.359 4.151 0.208 19155 3336 1 8 . 1 1 15 15 TYR C C 15 177.581 177.581 177.568 0.013 19155 3337 1 8 . 1 1 15 15 TYR CA C 15 62.430 62.430 61.873 0.557 19155 3338 1 8 . 1 1 15 15 TYR CB C 15 38.541 38.541 38.733 -0.192 19155 3339 1 8 . 1 1 15 15 TYR H H 15 8.170 8.170 7.972 0.198 19155 3340 1 8 . 1 1 16 16 VAL N N 16 116.497 116.497 119.109 -2.612 19155 3341 1 8 . 1 1 16 16 VAL HA H 16 3.386 3.386 3.458 -0.072 19155 3342 1 8 . 1 1 16 16 VAL C C 16 177.221 177.221 177.878 -0.657 19155 3343 1 8 . 1 1 16 16 VAL CA C 16 68.053 68.053 67.240 0.813 19155 3344 1 8 . 1 1 16 16 VAL CB C 16 31.427 31.427 31.063 0.364 19155 3345 1 8 . 1 1 16 16 VAL H H 16 7.953 7.953 8.730 -0.777 19155 3346 1 8 . 1 1 17 17 LYS N N 17 118.530 118.530 119.513 -0.983 19155 3347 1 8 . 1 1 17 17 LYS HA H 17 3.922 3.922 3.923 -0.001 19155 3348 1 8 . 1 1 17 17 LYS C C 17 179.742 179.742 178.946 0.796 19155 3349 1 8 . 1 1 17 17 LYS CA C 17 60.145 60.145 59.797 0.348 19155 3350 1 8 . 1 1 17 17 LYS CB C 17 32.827 32.827 32.096 0.731 19155 3351 1 8 . 1 1 17 17 LYS H H 17 8.274 8.274 8.489 -0.215 19155 3352 1 8 . 1 1 18 18 LYS N N 18 121.031 121.031 119.854 1.177 19155 3353 1 8 . 1 1 18 18 LYS HA H 18 4.018 4.018 4.072 -0.054 19155 3354 1 8 . 1 1 18 18 LYS C C 18 178.962 178.962 178.907 0.055 19155 3355 1 8 . 1 1 18 18 LYS CA C 18 59.085 59.085 59.396 -0.311 19155 3356 1 8 . 1 1 18 18 LYS CB C 18 32.132 32.132 32.417 -0.285 19155 3357 1 8 . 1 1 18 18 LYS H H 18 7.946 7.946 7.786 0.160 19155 3358 1 8 . 1 1 19 19 ILE N N 19 120.718 120.718 120.126 0.592 19155 3359 1 8 . 1 1 19 19 ILE HA H 19 3.727 3.727 3.766 -0.039 19155 3360 1 8 . 1 1 19 19 ILE C C 19 172.120 172.120 178.248 -6.128 19155 3361 1 8 . 1 1 19 19 ILE CA C 19 62.128 62.128 64.045 -1.917 19155 3362 1 8 . 1 1 19 19 ILE CB C 19 35.988 35.988 36.843 -0.855 19155 3363 1 8 . 1 1 19 19 ILE H H 19 7.796 7.796 8.132 -0.336 19155 3364 1 8 . 1 1 20 20 VAL N N 20 124.792 124.792 121.037 3.755 19155 3365 1 8 . 1 1 20 20 VAL HA H 20 3.312 3.312 3.662 -0.350 19155 3366 1 8 . 1 1 20 20 VAL C C 20 177.873 177.873 178.433 -0.560 19155 3367 1 8 . 1 1 20 20 VAL CA C 20 67.738 67.738 66.888 0.850 19155 3368 1 8 . 1 1 20 20 VAL CB C 20 31.772 31.772 30.773 0.999 19155 3369 1 8 . 1 1 20 20 VAL H H 20 9.190 9.190 8.772 0.418 19155 3370 1 8 . 1 1 21 21 GLY N N 21 106.034 106.034 107.385 -1.351 19155 3371 1 8 . 1 1 21 21 GLY C C 21 177.470 177.470 176.385 1.085 19155 3372 1 8 . 1 1 21 21 GLY CA C 21 47.226 47.226 47.358 -0.132 19155 3373 1 8 . 1 1 21 21 GLY H H 21 8.117 8.117 8.033 0.084 19155 3374 1 8 . 1 1 22 22 GLU N N 22 122.282 122.282 121.283 0.999 19155 3375 1 8 . 1 1 22 22 GLU HA H 22 4.104 4.104 4.138 -0.034 19155 3376 1 8 . 1 1 22 22 GLU C C 22 178.827 178.827 178.818 0.009 19155 3377 1 8 . 1 1 22 22 GLU CA C 22 59.016 59.016 58.789 0.227 19155 3378 1 8 . 1 1 22 22 GLU CB C 22 29.619 29.619 29.162 0.457 19155 3379 1 8 . 1 1 22 22 GLU H H 22 8.197 8.197 8.491 -0.294 19155 3380 1 8 . 1 1 23 23 SER N N 23 116.812 116.812 116.391 0.421 19155 3381 1 8 . 1 1 23 23 SER HA H 23 4.201 4.201 4.059 0.142 19155 3382 1 8 . 1 1 23 23 SER C C 23 177.084 177.084 176.084 1.000 19155 3383 1 8 . 1 1 23 23 SER CA C 23 61.998 61.998 61.400 0.598 19155 3384 1 8 . 1 1 23 23 SER CB C 23 62.105 62.105 63.044 -0.939 19155 3385 1 8 . 1 1 23 23 SER H H 23 8.285 8.285 8.220 0.065 19155 3386 1 8 . 1 1 24 24 TYR N N 24 120.879 120.879 118.632 2.247 19155 3387 1 8 . 1 1 24 24 TYR HA H 24 4.396 4.396 4.278 0.118 19155 3388 1 8 . 1 1 24 24 TYR C C 24 178.846 178.846 178.197 0.649 19155 3389 1 8 . 1 1 24 24 TYR CA C 24 61.189 61.189 61.377 -0.188 19155 3390 1 8 . 1 1 24 24 TYR CB C 24 37.866 37.866 38.827 -0.960 19155 3391 1 8 . 1 1 24 24 TYR H H 24 8.254 8.254 7.617 0.637 19155 3392 1 8 . 1 1 25 25 ALA N N 25 122.124 122.124 121.371 0.753 19155 3393 1 8 . 1 1 25 25 ALA HA H 25 4.251 4.251 4.109 0.142 19155 3394 1 8 . 1 1 25 25 ALA C C 25 178.999 178.999 178.589 0.410 19155 3395 1 8 . 1 1 25 25 ALA CA C 25 54.608 54.608 54.661 -0.053 19155 3396 1 8 . 1 1 25 25 ALA CB C 25 18.108 18.108 18.559 -0.451 19155 3397 1 8 . 1 1 25 25 ALA H H 25 8.018 8.018 8.465 -0.447 19155 3398 1 8 . 1 1 26 26 LYS N N 26 115.251 115.251 116.538 -1.287 19155 3399 1 8 . 1 1 26 26 LYS HA H 26 4.459 4.459 4.206 0.253 19155 3400 1 8 . 1 1 26 26 LYS C C 26 176.598 176.598 176.991 -0.393 19155 3401 1 8 . 1 1 26 26 LYS CA C 26 56.209 56.209 57.481 -1.272 19155 3402 1 8 . 1 1 26 26 LYS CB C 26 33.191 33.191 32.834 0.357 19155 3403 1 8 . 1 1 26 26 LYS H H 26 7.533 7.533 8.334 -0.801 19155 3404 1 8 . 1 1 27 27 SER N N 27 115.400 115.400 114.137 1.263 19155 3405 1 8 . 1 1 27 27 SER HA H 27 4.332 4.332 4.644 -0.312 19155 3406 1 8 . 1 1 27 27 SER C C 27 174.768 174.768 172.756 2.012 19155 3407 1 8 . 1 1 27 27 SER CA C 27 58.808 58.808 57.133 1.675 19155 3408 1 8 . 1 1 27 27 SER CB C 27 63.397 63.397 64.391 -0.994 19155 3409 1 8 . 1 1 27 27 SER H H 27 7.570 7.570 7.815 -0.245 19155 3410 1 8 . 1 1 28 28 THR N N 28 114.468 114.468 112.544 1.924 19155 3411 1 8 . 1 1 28 28 THR HA H 28 4.649 4.649 4.714 -0.065 19155 3412 1 8 . 1 1 28 28 THR CA C 28 60.242 60.242 61.132 -0.889 19155 3413 1 8 . 1 1 28 28 THR CB C 28 71.544 71.544 71.321 0.223 19155 3414 1 8 . 1 1 28 28 THR H H 28 7.725 7.725 7.978 -0.253 19155 3415 1 8 . 1 1 29 29 LYS HA H 29 4.300 4.300 4.077 0.223 19155 3416 1 8 . 1 1 29 29 LYS CA C 29 57.974 57.974 59.134 -1.160 19155 3417 1 8 . 1 1 29 29 LYS CB C 29 32.820 32.820 32.137 0.683 19155 3418 1 8 . 1 1 30 30 LYS HA H 30 4.154 4.154 4.109 0.045 19155 3419 1 8 . 1 1 30 30 LYS CA C 30 58.725 58.725 58.612 0.113 19155 3420 1 8 . 1 1 31 31 ARG HA H 31 4.533 4.533 4.512 0.021 19155 3421 1 8 . 1 1 31 31 ARG CA C 31 56.137 56.137 55.571 0.566 19155 3422 1 8 . 1 1 31 31 ARG CB C 31 31.003 31.003 29.838 1.165 19155 3423 1 8 . 1 1 32 32 HIS HA H 32 4.570 4.570 4.227 0.343 19155 3424 1 8 . 1 1 32 32 HIS C C 32 176.136 176.136 176.850 -0.714 19155 3425 1 8 . 1 1 32 32 HIS CA C 32 58.689 58.689 60.054 -1.365 19155 3426 1 8 . 1 1 32 32 HIS CB C 32 30.731 30.731 30.072 0.659 19155 3427 1 8 . 1 1 33 33 THR N N 33 111.162 111.162 115.434 -4.272 19155 3428 1 8 . 1 1 33 33 THR HA H 33 3.976 3.976 3.928 0.048 19155 3429 1 8 . 1 1 33 33 THR C C 33 176.807 176.807 176.217 0.590 19155 3430 1 8 . 1 1 33 33 THR CA C 33 65.194 65.194 66.842 -1.648 19155 3431 1 8 . 1 1 33 33 THR CB C 33 68.428 68.428 68.277 0.151 19155 3432 1 8 . 1 1 33 33 THR H H 33 8.355 8.355 8.529 -0.174 19155 3433 1 8 . 1 1 34 34 ILE N N 34 123.220 123.220 121.162 2.058 19155 3434 1 8 . 1 1 34 34 ILE HA H 34 4.047 4.047 3.722 0.325 19155 3435 1 8 . 1 1 34 34 ILE C C 34 176.944 176.944 177.129 -0.185 19155 3436 1 8 . 1 1 34 34 ILE CA C 34 63.746 63.746 64.812 -1.066 19155 3437 1 8 . 1 1 34 34 ILE CB C 34 37.905 37.905 37.541 0.363 19155 3438 1 8 . 1 1 34 34 ILE H H 34 7.824 7.824 7.729 0.095 19155 3439 1 8 . 1 1 35 35 THR N N 35 118.694 118.694 115.837 2.857 19155 3440 1 8 . 1 1 35 35 THR HA H 35 4.103 4.103 3.780 0.323 19155 3441 1 8 . 1 1 35 35 THR C C 35 175.385 175.385 176.470 -1.085 19155 3442 1 8 . 1 1 35 35 THR CA C 35 63.339 63.339 65.535 -2.196 19155 3443 1 8 . 1 1 35 35 THR CB C 35 68.428 68.428 68.410 0.018 19155 3444 1 8 . 1 1 35 35 THR H H 35 8.053 8.053 7.562 0.491 19155 3445 1 8 . 1 1 36 36 VAL N N 36 120.252 120.252 122.527 -2.275 19155 3446 1 8 . 1 1 36 36 VAL HA H 36 3.494 3.494 3.505 -0.011 19155 3447 1 8 . 1 1 36 36 VAL C C 36 177.667 177.667 177.600 0.067 19155 3448 1 8 . 1 1 36 36 VAL CA C 36 66.312 66.312 66.596 -0.284 19155 3449 1 8 . 1 1 36 36 VAL CB C 36 31.787 31.787 30.946 0.841 19155 3450 1 8 . 1 1 36 36 VAL H H 36 8.148 8.148 7.958 0.190 19155 3451 1 8 . 1 1 37 37 ALA N N 37 121.815 121.815 122.573 -0.758 19155 3452 1 8 . 1 1 37 37 ALA HA H 37 4.168 4.168 4.008 0.160 19155 3453 1 8 . 1 1 37 37 ALA C C 37 180.404 180.404 179.218 1.186 19155 3454 1 8 . 1 1 37 37 ALA CA C 37 55.062 55.062 55.162 -0.100 19155 3455 1 8 . 1 1 37 37 ALA CB C 37 18.114 18.114 18.212 -0.098 19155 3456 1 8 . 1 1 37 37 ALA H H 37 7.526 7.526 7.963 -0.437 19155 3457 1 8 . 1 1 38 38 LEU N N 38 122.124 122.124 119.108 3.016 19155 3458 1 8 . 1 1 38 38 LEU HA H 38 3.574 3.574 3.257 0.317 19155 3459 1 8 . 1 1 38 38 LEU C C 38 177.815 177.815 178.505 -0.690 19155 3460 1 8 . 1 1 38 38 LEU CA C 38 57.671 57.671 57.112 0.559 19155 3461 1 8 . 1 1 38 38 LEU CB C 38 40.383 40.383 41.289 -0.907 19155 3462 1 8 . 1 1 38 38 LEU H H 38 7.987 7.987 7.554 0.433 19155 3463 1 8 . 1 1 39 39 VAL N N 39 119.627 119.627 119.315 0.312 19155 3464 1 8 . 1 1 39 39 VAL HA H 39 3.295 3.295 3.504 -0.209 19155 3465 1 8 . 1 1 39 39 VAL C C 39 178.084 178.084 177.913 0.171 19155 3466 1 8 . 1 1 39 39 VAL CA C 39 67.710 67.710 66.679 1.031 19155 3467 1 8 . 1 1 39 39 VAL CB C 39 31.393 31.393 30.727 0.666 19155 3468 1 8 . 1 1 39 39 VAL H H 39 8.410 8.410 8.374 0.036 19155 3469 1 8 . 1 1 40 40 ASN N N 40 117.904 117.904 118.889 -0.985 19155 3470 1 8 . 1 1 40 40 ASN HA H 40 4.528 4.528 4.357 0.171 19155 3471 1 8 . 1 1 40 40 ASN C C 40 177.814 177.814 177.922 -0.108 19155 3472 1 8 . 1 1 40 40 ASN CA C 40 56.214 56.214 56.917 -0.703 19155 3473 1 8 . 1 1 40 40 ASN CB C 40 37.990 37.990 38.397 -0.407 19155 3474 1 8 . 1 1 40 40 ASN H H 40 8.211 8.211 8.363 -0.152 19155 3475 1 8 . 1 1 41 41 GLU N N 41 122.117 122.117 121.029 1.088 19155 3476 1 8 . 1 1 41 41 GLU HA H 41 4.330 4.330 4.210 0.120 19155 3477 1 8 . 1 1 41 41 GLU C C 41 179.186 179.186 178.749 0.437 19155 3478 1 8 . 1 1 41 41 GLU CA C 41 59.444 59.444 58.751 0.693 19155 3479 1 8 . 1 1 41 41 GLU CB C 41 28.935 28.935 29.542 -0.607 19155 3480 1 8 . 1 1 41 41 GLU H H 41 7.895 7.895 7.912 -0.017 19155 3481 1 8 . 1 1 42 42 LEU N N 42 118.997 118.997 119.459 -0.462 19155 3482 1 8 . 1 1 42 42 LEU HA H 42 4.036 4.036 3.849 0.187 19155 3483 1 8 . 1 1 42 42 LEU C C 42 179.072 179.072 179.021 0.051 19155 3484 1 8 . 1 1 42 42 LEU CA C 42 58.028 58.028 58.472 -0.444 19155 3485 1 8 . 1 1 42 42 LEU CB C 42 41.053 41.053 41.629 -0.576 19155 3486 1 8 . 1 1 42 42 LEU H H 42 8.915 8.915 8.636 0.279 19155 3487 1 8 . 1 1 43 43 ASN N N 43 117.439 117.439 115.437 2.002 19155 3488 1 8 . 1 1 43 43 ASN HA H 43 4.560 4.560 4.554 0.006 19155 3489 1 8 . 1 1 43 43 ASN C C 43 177.692 177.692 177.129 0.563 19155 3490 1 8 . 1 1 43 43 ASN CA C 43 56.224 56.224 55.548 0.676 19155 3491 1 8 . 1 1 43 43 ASN CB C 43 38.241 38.241 38.036 0.205 19155 3492 1 8 . 1 1 43 43 ASN H H 43 8.436 8.436 8.353 0.083 19155 3493 1 8 . 1 1 44 44 ASN N N 44 121.188 121.188 120.582 0.606 19155 3494 1 8 . 1 1 44 44 ASN HA H 44 4.647 4.647 4.615 0.032 19155 3495 1 8 . 1 1 44 44 ASN C C 44 178.704 178.704 177.348 1.356 19155 3496 1 8 . 1 1 44 44 ASN CA C 44 56.233 56.233 55.956 0.277 19155 3497 1 8 . 1 1 44 44 ASN CB C 44 37.466 37.466 38.630 -1.164 19155 3498 1 8 . 1 1 44 44 ASN H H 44 8.079 8.079 7.727 0.352 19155 3499 1 8 . 1 1 45 45 ILE N N 45 124.315 124.315 120.780 3.535 19155 3500 1 8 . 1 1 45 45 ILE HA H 45 3.985 3.985 3.652 0.333 19155 3501 1 8 . 1 1 45 45 ILE C C 45 177.925 177.925 177.673 0.252 19155 3502 1 8 . 1 1 45 45 ILE CA C 45 65.578 65.578 65.770 -0.192 19155 3503 1 8 . 1 1 45 45 ILE CB C 45 38.903 38.903 37.674 1.229 19155 3504 1 8 . 1 1 45 45 ILE H H 45 8.533 8.533 8.575 -0.042 19155 3505 1 8 . 1 1 46 46 LYS N N 46 119.624 119.624 120.377 -0.753 19155 3506 1 8 . 1 1 46 46 LYS HA H 46 3.743 3.743 3.948 -0.205 19155 3507 1 8 . 1 1 46 46 LYS C C 46 177.699 177.699 178.845 -1.146 19155 3508 1 8 . 1 1 46 46 LYS CA C 46 60.161 60.161 60.337 -0.176 19155 3509 1 8 . 1 1 46 46 LYS CB C 46 31.420 31.420 32.257 -0.837 19155 3510 1 8 . 1 1 46 46 LYS H H 46 8.660 8.660 7.811 0.849 19155 3511 1 8 . 1 1 47 47 ASN N N 47 116.034 116.034 117.753 -1.719 19155 3512 1 8 . 1 1 47 47 ASN HA H 47 4.468 4.468 4.467 0.001 19155 3513 1 8 . 1 1 47 47 ASN C C 47 177.768 177.768 177.888 -0.120 19155 3514 1 8 . 1 1 47 47 ASN CA C 47 56.538 56.538 56.082 0.456 19155 3515 1 8 . 1 1 47 47 ASN CB C 47 37.882 37.882 37.991 -0.109 19155 3516 1 8 . 1 1 47 47 ASN H H 47 8.344 8.344 8.410 -0.066 19155 3517 1 8 . 1 1 48 48 GLU N N 48 121.665 121.665 121.692 -0.027 19155 3518 1 8 . 1 1 48 48 GLU HA H 48 4.044 4.044 4.043 0.001 19155 3519 1 8 . 1 1 48 48 GLU C C 48 179.915 179.915 179.079 0.836 19155 3520 1 8 . 1 1 48 48 GLU CA C 48 59.444 59.444 59.665 -0.221 19155 3521 1 8 . 1 1 48 48 GLU CB C 48 29.230 29.230 29.937 -0.707 19155 3522 1 8 . 1 1 48 48 GLU H H 48 8.301 8.301 8.193 0.108 19155 3523 1 8 . 1 1 49 49 TYR N N 49 117.600 117.600 118.767 -1.167 19155 3524 1 8 . 1 1 49 49 TYR HA H 49 3.992 3.992 4.373 -0.381 19155 3525 1 8 . 1 1 49 49 TYR C C 49 178.275 178.275 178.237 0.038 19155 3526 1 8 . 1 1 49 49 TYR CA C 49 64.508 64.508 61.106 3.402 19155 3527 1 8 . 1 1 49 49 TYR CB C 49 37.881 37.881 38.455 -0.574 19155 3528 1 8 . 1 1 49 49 TYR H H 49 8.581 8.581 8.659 -0.078 19155 3529 1 8 . 1 1 50 50 LEU N N 50 122.126 122.126 121.311 0.815 19155 3530 1 8 . 1 1 50 50 LEU HA H 50 4.181 4.181 3.830 0.351 19155 3531 1 8 . 1 1 50 50 LEU C C 50 180.089 180.089 178.534 1.555 19155 3532 1 8 . 1 1 50 50 LEU CA C 50 59.061 59.061 58.844 0.217 19155 3533 1 8 . 1 1 50 50 LEU CB C 50 40.096 40.096 41.538 -1.442 19155 3534 1 8 . 1 1 50 50 LEU H H 50 9.207 9.207 8.920 0.287 19155 3535 1 8 . 1 1 51 51 ASN N N 51 117.124 117.124 116.056 1.068 19155 3536 1 8 . 1 1 51 51 ASN HA H 51 4.535 4.535 4.509 0.026 19155 3537 1 8 . 1 1 51 51 ASN C C 51 177.522 177.522 177.006 0.516 19155 3538 1 8 . 1 1 51 51 ASN CA C 51 56.240 56.240 55.761 0.479 19155 3539 1 8 . 1 1 51 51 ASN CB C 51 37.898 37.898 38.627 -0.729 19155 3540 1 8 . 1 1 51 51 ASN H H 51 7.634 7.634 7.728 -0.094 19155 3541 1 8 . 1 1 52 52 LYS N N 52 119.154 119.154 118.923 0.231 19155 3542 1 8 . 1 1 52 52 LYS HA H 52 4.037 4.037 4.030 0.007 19155 3543 1 8 . 1 1 52 52 LYS C C 52 179.905 179.905 177.909 1.996 19155 3544 1 8 . 1 1 52 52 LYS CA C 52 59.803 59.803 59.033 0.770 19155 3545 1 8 . 1 1 52 52 LYS CB C 52 33.215 33.215 32.772 0.443 19155 3546 1 8 . 1 1 52 52 LYS H H 52 7.663 7.663 7.539 0.124 19155 3547 1 8 . 1 1 53 53 ILE N N 53 121.662 121.662 119.796 1.866 19155 3548 1 8 . 1 1 53 53 ILE HA H 53 3.532 3.532 3.729 -0.197 19155 3549 1 8 . 1 1 53 53 ILE C C 53 178.489 178.489 178.355 0.134 19155 3550 1 8 . 1 1 53 53 ILE CA C 53 65.906 65.906 65.226 0.680 19155 3551 1 8 . 1 1 53 53 ILE CB C 53 38.249 38.249 38.102 0.147 19155 3552 1 8 . 1 1 53 53 ILE H H 53 8.493 8.493 8.271 0.222 19155 3553 1 8 . 1 1 54 54 VAL N N 54 119.477 119.477 118.342 1.135 19155 3554 1 8 . 1 1 54 54 VAL HA H 54 3.647 3.647 3.751 -0.104 19155 3555 1 8 . 1 1 54 54 VAL C C 54 176.683 176.683 176.009 0.674 19155 3556 1 8 . 1 1 54 54 VAL CA C 54 66.643 66.643 65.654 0.989 19155 3557 1 8 . 1 1 54 54 VAL CB C 54 31.448 31.448 32.142 -0.694 19155 3558 1 8 . 1 1 54 54 VAL H H 54 7.598 7.598 8.032 -0.434 19155 3559 1 8 . 1 1 55 55 GLU N N 55 114.467 114.467 116.259 -1.792 19155 3560 1 8 . 1 1 55 55 GLU HA H 55 4.281 4.281 4.388 -0.107 19155 3561 1 8 . 1 1 55 55 GLU C C 55 176.914 176.914 175.864 1.050 19155 3562 1 8 . 1 1 55 55 GLU CA C 55 56.195 56.195 55.289 0.906 19155 3563 1 8 . 1 1 55 55 GLU CB C 55 30.354 30.354 30.020 0.334 19155 3564 1 8 . 1 1 55 55 GLU H H 55 7.064 7.064 7.434 -0.370 19155 3565 1 8 . 1 1 56 56 SER N N 56 116.806 116.806 116.553 0.253 19155 3566 1 8 . 1 1 56 56 SER HA H 56 4.435 4.435 4.346 0.089 19155 3567 1 8 . 1 1 56 56 SER C C 56 175.566 175.566 175.326 0.240 19155 3568 1 8 . 1 1 56 56 SER CA C 56 60.163 60.163 59.446 0.717 19155 3569 1 8 . 1 1 56 56 SER CB C 56 64.439 64.439 63.733 0.706 19155 3570 1 8 . 1 1 56 56 SER H H 56 7.504 7.504 7.514 -0.010 19155 3571 1 8 . 1 1 57 57 THR N N 57 111.347 111.347 120.766 -9.419 19155 3572 1 8 . 1 1 57 57 THR HA H 57 4.539 4.539 4.228 0.311 19155 3573 1 8 . 1 1 57 57 THR C C 57 174.424 174.424 175.102 -0.678 19155 3574 1 8 . 1 1 57 57 THR CA C 57 61.518 61.518 63.744 -2.226 19155 3575 1 8 . 1 1 57 57 THR CB C 57 70.377 70.377 69.186 1.191 19155 3576 1 8 . 1 1 57 57 THR H H 57 9.083 9.083 8.422 0.661 19155 3577 1 8 . 1 1 58 58 SER N N 58 115.415 115.415 116.000 -0.585 19155 3578 1 8 . 1 1 58 58 SER HA H 58 5.059 5.059 4.561 0.498 19155 3579 1 8 . 1 1 58 58 SER C C 58 174.278 174.278 174.822 -0.544 19155 3580 1 8 . 1 1 58 58 SER CA C 58 56.928 56.928 56.632 0.296 19155 3581 1 8 . 1 1 58 58 SER CB C 58 66.570 66.570 64.348 2.222 19155 3582 1 8 . 1 1 58 58 SER H H 58 7.689 7.689 7.677 0.012 19155 3583 1 8 . 1 1 59 59 GLU N N 59 124.305 124.305 129.209 -4.904 19155 3584 1 8 . 1 1 59 59 GLU HA H 59 3.990 3.990 4.237 -0.247 19155 3585 1 8 . 1 1 59 59 GLU C C 59 179.113 179.113 177.243 1.870 19155 3586 1 8 . 1 1 59 59 GLU CA C 59 60.159 60.159 57.849 2.310 19155 3587 1 8 . 1 1 59 59 GLU CB C 59 29.616 29.616 29.629 -0.013 19155 3588 1 8 . 1 1 59 59 GLU H H 59 9.719 9.719 9.219 0.500 19155 3589 1 8 . 1 1 60 60 SER N N 60 115.406 115.406 114.932 0.474 19155 3590 1 8 . 1 1 60 60 SER HA H 60 4.249 4.249 4.530 -0.281 19155 3591 1 8 . 1 1 60 60 SER C C 60 177.307 177.307 175.760 1.547 19155 3592 1 8 . 1 1 60 60 SER CA C 60 61.259 61.259 60.541 0.718 19155 3593 1 8 . 1 1 60 60 SER CB C 60 61.960 61.960 63.962 -2.002 19155 3594 1 8 . 1 1 60 60 SER H H 60 8.614 8.614 7.836 0.778 19155 3595 1 8 . 1 1 61 61 GLN N N 61 121.656 121.656 122.281 -0.625 19155 3596 1 8 . 1 1 61 61 GLN HA H 61 4.107 4.107 4.067 0.040 19155 3597 1 8 . 1 1 61 61 GLN C C 61 178.777 178.777 178.070 0.707 19155 3598 1 8 . 1 1 61 61 GLN CA C 61 58.743 58.743 58.604 0.139 19155 3599 1 8 . 1 1 61 61 GLN CB C 61 28.900 28.900 28.628 0.272 19155 3600 1 8 . 1 1 61 61 GLN H H 61 7.669 7.669 7.658 0.011 19155 3601 1 8 . 1 1 62 62 LEU N N 62 118.689 118.689 118.762 -0.073 19155 3602 1 8 . 1 1 62 62 LEU HA H 62 4.035 4.035 3.823 0.212 19155 3603 1 8 . 1 1 62 62 LEU C C 62 178.363 178.363 178.645 -0.282 19155 3604 1 8 . 1 1 62 62 LEU CA C 62 58.725 58.725 57.959 0.766 19155 3605 1 8 . 1 1 62 62 LEU CB C 62 41.836 41.836 41.569 0.266 19155 3606 1 8 . 1 1 62 62 LEU H H 62 7.736 7.736 7.885 -0.149 19155 3607 1 8 . 1 1 63 63 GLN N N 63 117.441 117.441 116.683 0.758 19155 3608 1 8 . 1 1 63 63 GLN HA H 63 4.078 4.078 4.117 -0.039 19155 3609 1 8 . 1 1 63 63 GLN C C 63 179.312 179.312 177.732 1.580 19155 3610 1 8 . 1 1 63 63 GLN CA C 63 59.062 59.062 58.359 0.703 19155 3611 1 8 . 1 1 63 63 GLN CB C 63 27.819 27.819 28.519 -0.700 19155 3612 1 8 . 1 1 63 63 GLN H H 63 7.943 7.943 7.787 0.156 19155 3613 1 8 . 1 1 64 64 ILE N N 64 120.406 120.406 120.750 -0.344 19155 3614 1 8 . 1 1 64 64 ILE HA H 64 3.809 3.809 3.976 -0.167 19155 3615 1 8 . 1 1 64 64 ILE C C 64 178.734 178.734 177.649 1.085 19155 3616 1 8 . 1 1 64 64 ILE CA C 64 64.722 64.722 61.629 3.093 19155 3617 1 8 . 1 1 64 64 ILE CB C 64 37.971 37.971 37.359 0.612 19155 3618 1 8 . 1 1 64 64 ILE H H 64 7.544 7.544 7.562 -0.018 19155 3619 1 8 . 1 1 65 65 LEU N N 65 120.247 120.247 121.574 -1.327 19155 3620 1 8 . 1 1 65 65 LEU HA H 65 4.212 4.212 4.314 -0.102 19155 3621 1 8 . 1 1 65 65 LEU C C 65 179.685 179.685 179.689 -0.004 19155 3622 1 8 . 1 1 65 65 LEU CA C 65 58.004 58.004 57.950 0.054 19155 3623 1 8 . 1 1 65 65 LEU CB C 65 42.553 42.553 40.331 2.222 19155 3624 1 8 . 1 1 65 65 LEU H H 65 8.361 8.361 8.352 0.009 19155 3625 1 8 . 1 1 66 66 MET N N 66 118.685 118.685 117.565 1.120 19155 3626 1 8 . 1 1 66 66 MET HA H 66 3.918 3.918 3.998 -0.080 19155 3627 1 8 . 1 1 66 66 MET C C 66 178.906 178.906 178.901 0.005 19155 3628 1 8 . 1 1 66 66 MET CA C 66 59.467 59.467 59.658 -0.191 19155 3629 1 8 . 1 1 66 66 MET CB C 66 33.519 33.519 32.310 1.208 19155 3630 1 8 . 1 1 66 66 MET H H 66 8.458 8.458 7.544 0.914 19155 3631 1 8 . 1 1 67 67 MET N N 67 118.685 118.685 118.261 0.424 19155 3632 1 8 . 1 1 67 67 MET HA H 67 4.098 4.098 4.028 0.070 19155 3633 1 8 . 1 1 67 67 MET C C 67 178.781 178.781 178.388 0.393 19155 3634 1 8 . 1 1 67 67 MET CA C 67 58.379 58.379 59.065 -0.686 19155 3635 1 8 . 1 1 67 67 MET CB C 67 32.031 32.031 32.314 -0.283 19155 3636 1 8 . 1 1 67 67 MET H H 67 7.559 7.559 7.889 -0.330 19155 3637 1 8 . 1 1 68 68 GLU N N 68 122.128 122.128 120.423 1.705 19155 3638 1 8 . 1 1 68 68 GLU HA H 68 3.990 3.990 3.945 0.045 19155 3639 1 8 . 1 1 68 68 GLU C C 68 178.803 178.803 178.959 -0.156 19155 3640 1 8 . 1 1 68 68 GLU CA C 68 59.459 59.459 59.725 -0.266 19155 3641 1 8 . 1 1 68 68 GLU CB C 68 30.706 30.706 29.532 1.174 19155 3642 1 8 . 1 1 68 68 GLU H H 68 8.895 8.895 8.428 0.467 19155 3643 1 8 . 1 1 69 69 SER N N 69 114.769 114.769 114.548 0.221 19155 3644 1 8 . 1 1 69 69 SER HA H 69 2.872 2.872 3.700 -0.828 19155 3645 1 8 . 1 1 69 69 SER C C 69 175.801 175.801 176.429 -0.628 19155 3646 1 8 . 1 1 69 69 SER CA C 69 62.000 62.000 60.589 1.411 19155 3647 1 8 . 1 1 69 69 SER CB C 69 62.282 62.282 62.717 -0.435 19155 3648 1 8 . 1 1 69 69 SER H H 69 8.161 8.161 8.371 -0.210 19155 3649 1 8 . 1 1 70 70 ARG N N 70 120.552 120.552 122.023 -1.471 19155 3650 1 8 . 1 1 70 70 ARG HA H 70 3.744 3.744 3.828 -0.084 19155 3651 1 8 . 1 1 70 70 ARG C C 70 177.654 177.654 178.397 -0.743 19155 3652 1 8 . 1 1 70 70 ARG CA C 70 59.793 59.793 59.916 -0.123 19155 3653 1 8 . 1 1 70 70 ARG CB C 70 29.974 29.974 29.809 0.165 19155 3654 1 8 . 1 1 70 70 ARG H H 70 6.945 6.945 8.044 -1.099 19155 3655 1 8 . 1 1 71 71 SER N N 71 113.064 113.064 115.121 -2.057 19155 3656 1 8 . 1 1 71 71 SER HA H 71 4.275 4.275 4.208 0.067 19155 3657 1 8 . 1 1 71 71 SER C C 71 177.491 177.491 176.552 0.939 19155 3658 1 8 . 1 1 71 71 SER CA C 71 61.571 61.571 61.943 -0.372 19155 3659 1 8 . 1 1 71 71 SER CB C 71 62.710 62.710 62.614 0.097 19155 3660 1 8 . 1 1 71 71 SER H H 71 7.721 7.721 8.406 -0.685 19155 3661 1 8 . 1 1 72 72 LYS N N 72 121.657 121.657 121.992 -0.335 19155 3662 1 8 . 1 1 72 72 LYS HA H 72 4.170 4.170 4.131 0.039 19155 3663 1 8 . 1 1 72 72 LYS C C 72 180.429 180.429 179.292 1.137 19155 3664 1 8 . 1 1 72 72 LYS CA C 72 58.725 58.725 58.697 0.028 19155 3665 1 8 . 1 1 72 72 LYS CB C 72 32.131 32.131 32.062 0.069 19155 3666 1 8 . 1 1 72 72 LYS H H 72 8.414 8.414 8.001 0.413 19155 3667 1 8 . 1 1 73 73 VAL N N 73 123.222 123.222 120.448 2.774 19155 3668 1 8 . 1 1 73 73 VAL HA H 73 3.598 3.598 3.590 0.008 19155 3669 1 8 . 1 1 73 73 VAL C C 73 176.929 176.929 177.517 -0.588 19155 3670 1 8 . 1 1 73 73 VAL CA C 73 66.975 66.975 67.358 -0.383 19155 3671 1 8 . 1 1 73 73 VAL CB C 73 31.704 31.704 31.894 -0.190 19155 3672 1 8 . 1 1 73 73 VAL H H 73 8.421 8.421 8.440 -0.019 19155 3673 1 8 . 1 1 74 74 ASP N N 74 120.101 120.101 119.557 0.544 19155 3674 1 8 . 1 1 74 74 ASP HA H 74 4.393 4.393 4.356 0.037 19155 3675 1 8 . 1 1 74 74 ASP C C 74 180.001 180.001 178.147 1.854 19155 3676 1 8 . 1 1 74 74 ASP CA C 74 57.324 57.324 57.862 -0.538 19155 3677 1 8 . 1 1 74 74 ASP CB C 74 39.326 39.326 41.010 -1.684 19155 3678 1 8 . 1 1 74 74 ASP H H 74 8.674 8.674 8.481 0.193 19155 3679 1 8 . 1 1 75 75 GLU N N 75 121.349 121.349 120.131 1.218 19155 3680 1 8 . 1 1 75 75 GLU HA H 75 4.113 4.113 3.974 0.139 19155 3681 1 8 . 1 1 75 75 GLU C C 75 178.732 178.732 178.561 0.171 19155 3682 1 8 . 1 1 75 75 GLU CA C 75 59.083 59.083 59.471 -0.388 19155 3683 1 8 . 1 1 75 75 GLU CB C 75 29.975 29.975 29.752 0.223 19155 3684 1 8 . 1 1 75 75 GLU H H 75 8.475 8.475 8.304 0.171 19155 3685 1 8 . 1 1 76 76 ALA N N 76 124.160 124.160 122.268 1.892 19155 3686 1 8 . 1 1 76 76 ALA HA H 76 4.281 4.281 4.168 0.113 19155 3687 1 8 . 1 1 76 76 ALA C C 76 179.906 179.906 180.003 -0.097 19155 3688 1 8 . 1 1 76 76 ALA CA C 76 55.530 55.530 55.328 0.202 19155 3689 1 8 . 1 1 76 76 ALA CB C 76 17.424 17.424 18.402 -0.979 19155 3690 1 8 . 1 1 76 76 ALA H H 76 7.944 7.944 8.096 -0.152 19155 3691 1 8 . 1 1 77 77 VAL N N 77 117.439 117.439 118.697 -1.258 19155 3692 1 8 . 1 1 77 77 VAL HA H 77 3.644 3.644 3.607 0.037 19155 3693 1 8 . 1 1 77 77 VAL C C 77 178.784 178.784 178.053 0.731 19155 3694 1 8 . 1 1 77 77 VAL CA C 77 66.958 66.958 66.847 0.111 19155 3695 1 8 . 1 1 77 77 VAL CB C 77 31.807 31.807 31.379 0.428 19155 3696 1 8 . 1 1 77 77 VAL H H 77 8.204 8.204 8.106 0.098 19155 3697 1 8 . 1 1 78 78 SER N N 78 113.687 113.687 114.044 -0.357 19155 3698 1 8 . 1 1 78 78 SER HA H 78 4.266 4.266 4.157 0.109 19155 3699 1 8 . 1 1 78 78 SER C C 78 176.762 176.762 177.103 -0.341 19155 3700 1 8 . 1 1 78 78 SER CA C 78 61.241 61.241 61.543 -0.302 19155 3701 1 8 . 1 1 78 78 SER CB C 78 62.678 62.678 62.830 -0.152 19155 3702 1 8 . 1 1 78 78 SER H H 78 7.935 7.935 8.429 -0.494 19155 3703 1 8 . 1 1 79 79 LYS N N 79 121.029 121.029 122.345 -1.316 19155 3704 1 8 . 1 1 79 79 LYS HA H 79 4.070 4.070 4.024 0.046 19155 3705 1 8 . 1 1 79 79 LYS C C 79 178.135 178.135 179.150 -1.015 19155 3706 1 8 . 1 1 79 79 LYS CA C 79 58.723 58.723 59.119 -0.396 19155 3707 1 8 . 1 1 79 79 LYS CB C 79 32.489 32.489 32.341 0.148 19155 3708 1 8 . 1 1 79 79 LYS H H 79 7.989 7.989 8.134 -0.145 19155 3709 1 8 . 1 1 80 80 PHE N N 80 117.437 117.437 117.528 -0.091 19155 3710 1 8 . 1 1 80 80 PHE HA H 80 4.490 4.490 4.489 0.001 19155 3711 1 8 . 1 1 80 80 PHE C C 80 176.236 176.236 177.306 -1.070 19155 3712 1 8 . 1 1 80 80 PHE CA C 80 59.444 59.444 60.208 -0.764 19155 3713 1 8 . 1 1 80 80 PHE CB C 80 40.032 40.032 39.594 0.438 19155 3714 1 8 . 1 1 80 80 PHE H H 80 7.838 7.838 8.195 -0.357 19155 3715 1 8 . 1 1 81 81 GLU N N 81 120.092 120.092 117.505 2.587 19155 3716 1 8 . 1 1 81 81 GLU HA H 81 4.290 4.290 4.315 -0.025 19155 3717 1 8 . 1 1 81 81 GLU C C 81 175.715 175.715 176.673 -0.958 19155 3718 1 8 . 1 1 81 81 GLU CA C 81 56.928 56.928 56.851 0.077 19155 3719 1 8 . 1 1 81 81 GLU CB C 81 29.997 29.997 29.580 0.417 19155 3720 1 8 . 1 1 81 81 GLU H H 81 7.864 7.864 8.140 -0.276 19155 3721 1 9 . 1 1 2 2 ASP N N 2 119.961 119.961 121.604 -1.643 19155 3722 1 9 . 1 1 2 2 ASP HA H 2 4.440 4.440 4.302 0.138 19155 3723 1 9 . 1 1 2 2 ASP C C 2 178.594 178.594 177.834 0.760 19155 3724 1 9 . 1 1 2 2 ASP CA C 2 57.997 57.997 58.005 -0.008 19155 3725 1 9 . 1 1 2 2 ASP CB C 2 40.098 40.098 40.849 -0.751 19155 3726 1 9 . 1 1 2 2 ASP H H 2 8.260 8.260 8.636 -0.376 19155 3727 1 9 . 1 1 3 3 SER N N 3 115.401 115.401 114.000 1.401 19155 3728 1 9 . 1 1 3 3 SER HA H 3 4.358 4.358 4.240 0.118 19155 3729 1 9 . 1 1 3 3 SER C C 3 177.657 177.657 176.559 1.098 19155 3730 1 9 . 1 1 3 3 SER CA C 3 60.656 60.656 60.818 -0.162 19155 3731 1 9 . 1 1 3 3 SER CB C 3 62.319 62.319 63.035 -0.716 19155 3732 1 9 . 1 1 3 3 SER H H 3 8.112 8.112 8.256 -0.144 19155 3733 1 9 . 1 1 4 4 GLU N N 4 122.287 122.287 123.629 -1.342 19155 3734 1 9 . 1 1 4 4 GLU HA H 4 4.045 4.045 4.054 -0.009 19155 3735 1 9 . 1 1 4 4 GLU C C 4 180.035 180.035 178.512 1.523 19155 3736 1 9 . 1 1 4 4 GLU CA C 4 59.072 59.072 59.299 -0.227 19155 3737 1 9 . 1 1 4 4 GLU CB C 4 28.538 28.538 29.435 -0.897 19155 3738 1 9 . 1 1 4 4 GLU H H 4 8.472 8.472 7.786 0.686 19155 3739 1 9 . 1 1 5 5 ARG N N 5 121.026 121.026 117.739 3.287 19155 3740 1 9 . 1 1 5 5 ARG HA H 5 3.894 3.894 4.084 -0.190 19155 3741 1 9 . 1 1 5 5 ARG C C 5 178.298 178.298 178.216 0.082 19155 3742 1 9 . 1 1 5 5 ARG CA C 5 60.564 60.564 59.480 1.084 19155 3743 1 9 . 1 1 5 5 ARG CB C 5 30.681 30.681 29.779 0.902 19155 3744 1 9 . 1 1 5 5 ARG H H 5 8.771 8.771 8.519 0.252 19155 3745 1 9 . 1 1 6 6 ASP N N 6 119.775 119.775 120.632 -0.857 19155 3746 1 9 . 1 1 6 6 ASP HA H 6 4.455 4.455 4.421 0.034 19155 3747 1 9 . 1 1 6 6 ASP C C 6 178.676 178.676 178.060 0.616 19155 3748 1 9 . 1 1 6 6 ASP CA C 6 57.956 57.956 57.686 0.270 19155 3749 1 9 . 1 1 6 6 ASP CB C 6 40.774 40.774 40.938 -0.164 19155 3750 1 9 . 1 1 6 6 ASP H H 6 7.889 7.889 8.307 -0.418 19155 3751 1 9 . 1 1 7 7 LYS N N 7 119.937 119.937 118.932 1.005 19155 3752 1 9 . 1 1 7 7 LYS HA H 7 4.014 4.014 4.073 -0.059 19155 3753 1 9 . 1 1 7 7 LYS C C 7 178.977 178.977 178.644 0.333 19155 3754 1 9 . 1 1 7 7 LYS CA C 7 59.793 59.793 59.333 0.460 19155 3755 1 9 . 1 1 7 7 LYS CB C 7 32.850 32.850 32.175 0.674 19155 3756 1 9 . 1 1 7 7 LYS H H 7 7.950 7.950 8.177 -0.227 19155 3757 1 9 . 1 1 8 8 ALA N N 8 122.436 122.436 122.557 -0.121 19155 3758 1 9 . 1 1 8 8 ALA HA H 8 4.478 4.478 4.107 0.371 19155 3759 1 9 . 1 1 8 8 ALA C C 8 178.764 178.764 179.589 -0.825 19155 3760 1 9 . 1 1 8 8 ALA CA C 8 55.168 55.168 54.875 0.293 19155 3761 1 9 . 1 1 8 8 ALA CB C 8 19.502 19.502 18.531 0.971 19155 3762 1 9 . 1 1 8 8 ALA H H 8 7.976 7.976 8.012 -0.036 19155 3763 1 9 . 1 1 9 9 ARG N N 9 118.059 118.059 117.662 0.397 19155 3764 1 9 . 1 1 9 9 ARG HA H 9 3.801 3.801 4.110 -0.309 19155 3765 1 9 . 1 1 9 9 ARG C C 9 177.874 177.874 178.276 -0.402 19155 3766 1 9 . 1 1 9 9 ARG CA C 9 59.794 59.794 59.094 0.700 19155 3767 1 9 . 1 1 9 9 ARG CB C 9 29.989 29.989 29.968 0.021 19155 3768 1 9 . 1 1 9 9 ARG H H 9 8.489 8.489 8.329 0.160 19155 3769 1 9 . 1 1 10 10 LYS N N 10 118.064 118.064 120.043 -1.979 19155 3770 1 9 . 1 1 10 10 LYS HA H 10 4.138 4.138 4.113 0.025 19155 3771 1 9 . 1 1 10 10 LYS C C 10 178.619 178.619 178.929 -0.310 19155 3772 1 9 . 1 1 10 10 LYS CA C 10 59.421 59.421 58.322 1.099 19155 3773 1 9 . 1 1 10 10 LYS CB C 10 32.467 32.467 31.944 0.523 19155 3774 1 9 . 1 1 10 10 LYS H H 10 7.833 7.833 8.353 -0.520 19155 3775 1 9 . 1 1 11 11 GLU N N 11 118.845 118.845 119.884 -1.039 19155 3776 1 9 . 1 1 11 11 GLU HA H 11 4.107 4.107 4.055 0.052 19155 3777 1 9 . 1 1 11 11 GLU C C 11 180.137 180.137 178.704 1.433 19155 3778 1 9 . 1 1 11 11 GLU CA C 11 59.803 59.803 59.517 0.285 19155 3779 1 9 . 1 1 11 11 GLU CB C 11 29.248 29.248 29.271 -0.023 19155 3780 1 9 . 1 1 11 11 GLU H H 11 7.991 7.991 8.373 -0.382 19155 3781 1 9 . 1 1 12 12 VAL N N 12 120.562 120.562 115.952 4.610 19155 3782 1 9 . 1 1 12 12 VAL HA H 12 3.851 3.851 3.817 0.034 19155 3783 1 9 . 1 1 12 12 VAL C C 12 178.182 178.182 177.984 0.198 19155 3784 1 9 . 1 1 12 12 VAL CA C 12 66.625 66.625 65.794 0.831 19155 3785 1 9 . 1 1 12 12 VAL CB C 12 31.784 31.784 31.273 0.512 19155 3786 1 9 . 1 1 12 12 VAL H H 12 8.173 8.173 7.376 0.797 19155 3787 1 9 . 1 1 13 13 GLU N N 13 117.912 117.912 120.093 -2.181 19155 3788 1 9 . 1 1 13 13 GLU HA H 13 3.841 3.841 4.034 -0.193 19155 3789 1 9 . 1 1 13 13 GLU C C 13 179.959 179.959 178.708 1.251 19155 3790 1 9 . 1 1 13 13 GLU CA C 13 60.498 60.498 60.009 0.489 19155 3791 1 9 . 1 1 13 13 GLU CB C 13 30.014 30.014 29.274 0.740 19155 3792 1 9 . 1 1 13 13 GLU H H 13 8.624 8.624 8.849 -0.225 19155 3793 1 9 . 1 1 14 14 GLU N N 14 117.909 117.909 121.039 -3.130 19155 3794 1 9 . 1 1 14 14 GLU HA H 14 4.025 4.025 4.104 -0.079 19155 3795 1 9 . 1 1 14 14 GLU C C 14 179.020 179.020 178.573 0.447 19155 3796 1 9 . 1 1 14 14 GLU CA C 14 59.442 59.442 58.926 0.516 19155 3797 1 9 . 1 1 14 14 GLU CB C 14 29.257 29.257 29.003 0.254 19155 3798 1 9 . 1 1 14 14 GLU H H 14 8.904 8.904 7.842 1.062 19155 3799 1 9 . 1 1 15 15 TYR N N 15 122.592 122.592 120.943 1.649 19155 3800 1 9 . 1 1 15 15 TYR HA H 15 4.359 4.359 4.192 0.167 19155 3801 1 9 . 1 1 15 15 TYR C C 15 177.581 177.581 177.926 -0.345 19155 3802 1 9 . 1 1 15 15 TYR CA C 15 62.430 62.430 62.042 0.388 19155 3803 1 9 . 1 1 15 15 TYR CB C 15 38.541 38.541 38.744 -0.203 19155 3804 1 9 . 1 1 15 15 TYR H H 15 8.170 8.170 8.449 -0.279 19155 3805 1 9 . 1 1 16 16 VAL N N 16 116.497 116.497 118.372 -1.875 19155 3806 1 9 . 1 1 16 16 VAL HA H 16 3.386 3.386 3.547 -0.161 19155 3807 1 9 . 1 1 16 16 VAL C C 16 177.221 177.221 177.870 -0.649 19155 3808 1 9 . 1 1 16 16 VAL CA C 16 68.053 68.053 67.060 0.993 19155 3809 1 9 . 1 1 16 16 VAL CB C 16 31.427 31.427 31.444 -0.017 19155 3810 1 9 . 1 1 16 16 VAL H H 16 7.953 7.953 8.574 -0.621 19155 3811 1 9 . 1 1 17 17 LYS N N 17 118.530 118.530 118.298 0.232 19155 3812 1 9 . 1 1 17 17 LYS HA H 17 3.922 3.922 4.037 -0.115 19155 3813 1 9 . 1 1 17 17 LYS C C 17 179.742 179.742 178.882 0.860 19155 3814 1 9 . 1 1 17 17 LYS CA C 17 60.145 60.145 59.330 0.815 19155 3815 1 9 . 1 1 17 17 LYS CB C 17 32.827 32.827 31.913 0.914 19155 3816 1 9 . 1 1 17 17 LYS H H 17 8.274 8.274 7.609 0.665 19155 3817 1 9 . 1 1 18 18 LYS N N 18 121.031 121.031 120.948 0.083 19155 3818 1 9 . 1 1 18 18 LYS HA H 18 4.018 4.018 4.091 -0.073 19155 3819 1 9 . 1 1 18 18 LYS C C 18 178.962 178.962 178.499 0.463 19155 3820 1 9 . 1 1 18 18 LYS CA C 18 59.085 59.085 59.473 -0.388 19155 3821 1 9 . 1 1 18 18 LYS CB C 18 32.132 32.132 32.684 -0.552 19155 3822 1 9 . 1 1 18 18 LYS H H 18 7.946 7.946 8.149 -0.203 19155 3823 1 9 . 1 1 19 19 ILE N N 19 120.718 120.718 120.342 0.376 19155 3824 1 9 . 1 1 19 19 ILE HA H 19 3.727 3.727 3.761 -0.034 19155 3825 1 9 . 1 1 19 19 ILE C C 19 172.120 172.120 178.266 -6.146 19155 3826 1 9 . 1 1 19 19 ILE CA C 19 62.128 62.128 64.041 -1.913 19155 3827 1 9 . 1 1 19 19 ILE CB C 19 35.988 35.988 36.892 -0.904 19155 3828 1 9 . 1 1 19 19 ILE H H 19 7.796 7.796 8.321 -0.525 19155 3829 1 9 . 1 1 20 20 VAL N N 20 124.792 124.792 120.746 4.046 19155 3830 1 9 . 1 1 20 20 VAL HA H 20 3.312 3.312 3.760 -0.448 19155 3831 1 9 . 1 1 20 20 VAL C C 20 177.873 177.873 179.097 -1.224 19155 3832 1 9 . 1 1 20 20 VAL CA C 20 67.738 67.738 66.959 0.779 19155 3833 1 9 . 1 1 20 20 VAL CB C 20 31.772 31.772 30.751 1.021 19155 3834 1 9 . 1 1 20 20 VAL H H 20 9.190 9.190 8.611 0.579 19155 3835 1 9 . 1 1 21 21 GLY N N 21 106.034 106.034 108.078 -2.044 19155 3836 1 9 . 1 1 21 21 GLY C C 21 177.470 177.470 176.109 1.361 19155 3837 1 9 . 1 1 21 21 GLY CA C 21 47.226 47.226 47.368 -0.142 19155 3838 1 9 . 1 1 21 21 GLY H H 21 8.117 8.117 7.814 0.303 19155 3839 1 9 . 1 1 22 22 GLU N N 22 122.282 122.282 121.507 0.775 19155 3840 1 9 . 1 1 22 22 GLU HA H 22 4.104 4.104 4.066 0.038 19155 3841 1 9 . 1 1 22 22 GLU C C 22 178.827 178.827 179.468 -0.641 19155 3842 1 9 . 1 1 22 22 GLU CA C 22 59.016 59.016 59.091 -0.075 19155 3843 1 9 . 1 1 22 22 GLU CB C 22 29.619 29.619 29.165 0.454 19155 3844 1 9 . 1 1 22 22 GLU H H 22 8.197 8.197 8.607 -0.410 19155 3845 1 9 . 1 1 23 23 SER N N 23 116.812 116.812 116.650 0.162 19155 3846 1 9 . 1 1 23 23 SER HA H 23 4.201 4.201 4.165 0.036 19155 3847 1 9 . 1 1 23 23 SER C C 23 177.084 177.084 176.837 0.247 19155 3848 1 9 . 1 1 23 23 SER CA C 23 61.998 61.998 61.333 0.665 19155 3849 1 9 . 1 1 23 23 SER CB C 23 62.105 62.105 62.797 -0.693 19155 3850 1 9 . 1 1 23 23 SER H H 23 8.285 8.285 8.127 0.158 19155 3851 1 9 . 1 1 24 24 TYR N N 24 120.879 120.879 123.248 -2.369 19155 3852 1 9 . 1 1 24 24 TYR HA H 24 4.396 4.396 4.210 0.186 19155 3853 1 9 . 1 1 24 24 TYR C C 24 178.846 178.846 178.027 0.819 19155 3854 1 9 . 1 1 24 24 TYR CA C 24 61.189 61.189 61.763 -0.574 19155 3855 1 9 . 1 1 24 24 TYR CB C 24 37.866 37.866 38.208 -0.342 19155 3856 1 9 . 1 1 24 24 TYR H H 24 8.254 8.254 7.922 0.332 19155 3857 1 9 . 1 1 25 25 ALA N N 25 122.124 122.124 121.533 0.591 19155 3858 1 9 . 1 1 25 25 ALA HA H 25 4.251 4.251 4.129 0.122 19155 3859 1 9 . 1 1 25 25 ALA C C 25 178.999 178.999 177.683 1.316 19155 3860 1 9 . 1 1 25 25 ALA CA C 25 54.608 54.608 54.999 -0.391 19155 3861 1 9 . 1 1 25 25 ALA CB C 25 18.108 18.108 18.453 -0.345 19155 3862 1 9 . 1 1 25 25 ALA H H 25 8.018 8.018 8.561 -0.543 19155 3863 1 9 . 1 1 26 26 LYS N N 26 115.251 115.251 116.655 -1.404 19155 3864 1 9 . 1 1 26 26 LYS HA H 26 4.459 4.459 4.472 -0.013 19155 3865 1 9 . 1 1 26 26 LYS C C 26 176.598 176.598 176.503 0.095 19155 3866 1 9 . 1 1 26 26 LYS CA C 26 56.209 56.209 55.613 0.596 19155 3867 1 9 . 1 1 26 26 LYS CB C 26 33.191 33.191 32.675 0.517 19155 3868 1 9 . 1 1 26 26 LYS H H 26 7.533 7.533 7.544 -0.011 19155 3869 1 9 . 1 1 27 27 SER N N 27 115.400 115.400 117.156 -1.756 19155 3870 1 9 . 1 1 27 27 SER HA H 27 4.332 4.332 4.482 -0.150 19155 3871 1 9 . 1 1 27 27 SER C C 27 174.768 174.768 174.466 0.302 19155 3872 1 9 . 1 1 27 27 SER CA C 27 58.808 58.808 58.544 0.264 19155 3873 1 9 . 1 1 27 27 SER CB C 27 63.397 63.397 65.055 -1.658 19155 3874 1 9 . 1 1 27 27 SER H H 27 7.570 7.570 7.694 -0.124 19155 3875 1 9 . 1 1 28 28 THR N N 28 114.468 114.468 111.616 2.852 19155 3876 1 9 . 1 1 28 28 THR HA H 28 4.649 4.649 4.793 -0.144 19155 3877 1 9 . 1 1 28 28 THR CA C 28 60.242 60.242 60.374 -0.132 19155 3878 1 9 . 1 1 28 28 THR CB C 28 71.544 71.544 71.844 -0.300 19155 3879 1 9 . 1 1 28 28 THR H H 28 7.725 7.725 7.981 -0.256 19155 3880 1 9 . 1 1 29 29 LYS HA H 29 4.300 4.300 3.863 0.437 19155 3881 1 9 . 1 1 29 29 LYS CA C 29 57.974 57.974 59.092 -1.118 19155 3882 1 9 . 1 1 29 29 LYS CB C 29 32.820 32.820 31.773 1.046 19155 3883 1 9 . 1 1 30 30 LYS HA H 30 4.154 4.154 4.150 0.004 19155 3884 1 9 . 1 1 30 30 LYS CA C 30 58.725 58.725 57.824 0.901 19155 3885 1 9 . 1 1 31 31 ARG HA H 31 4.533 4.533 4.638 -0.105 19155 3886 1 9 . 1 1 31 31 ARG CA C 31 56.137 56.137 54.314 1.823 19155 3887 1 9 . 1 1 31 31 ARG CB C 31 31.003 31.003 29.639 1.364 19155 3888 1 9 . 1 1 32 32 HIS HA H 32 4.570 4.570 4.230 0.340 19155 3889 1 9 . 1 1 32 32 HIS C C 32 176.136 176.136 176.016 0.120 19155 3890 1 9 . 1 1 32 32 HIS CA C 32 58.689 58.689 60.391 -1.702 19155 3891 1 9 . 1 1 32 32 HIS CB C 32 30.731 30.731 30.061 0.670 19155 3892 1 9 . 1 1 33 33 THR N N 33 111.162 111.162 115.522 -4.360 19155 3893 1 9 . 1 1 33 33 THR HA H 33 3.976 3.976 3.838 0.138 19155 3894 1 9 . 1 1 33 33 THR C C 33 176.807 176.807 176.497 0.310 19155 3895 1 9 . 1 1 33 33 THR CA C 33 65.194 65.194 66.721 -1.527 19155 3896 1 9 . 1 1 33 33 THR CB C 33 68.428 68.428 68.198 0.230 19155 3897 1 9 . 1 1 33 33 THR H H 33 8.355 8.355 8.434 -0.079 19155 3898 1 9 . 1 1 34 34 ILE N N 34 123.220 123.220 119.750 3.470 19155 3899 1 9 . 1 1 34 34 ILE HA H 34 4.047 4.047 3.745 0.302 19155 3900 1 9 . 1 1 34 34 ILE C C 34 176.944 176.944 177.457 -0.513 19155 3901 1 9 . 1 1 34 34 ILE CA C 34 63.746 63.746 63.390 0.356 19155 3902 1 9 . 1 1 34 34 ILE CB C 34 37.905 37.905 36.446 1.460 19155 3903 1 9 . 1 1 34 34 ILE H H 34 7.824 7.824 7.601 0.223 19155 3904 1 9 . 1 1 35 35 THR N N 35 118.694 118.694 117.755 0.939 19155 3905 1 9 . 1 1 35 35 THR HA H 35 4.103 4.103 3.705 0.398 19155 3906 1 9 . 1 1 35 35 THR C C 35 175.385 175.385 176.469 -1.084 19155 3907 1 9 . 1 1 35 35 THR CA C 35 63.339 63.339 66.538 -3.199 19155 3908 1 9 . 1 1 35 35 THR CB C 35 68.428 68.428 68.185 0.243 19155 3909 1 9 . 1 1 35 35 THR H H 35 8.053 8.053 7.151 0.902 19155 3910 1 9 . 1 1 36 36 VAL N N 36 120.252 120.252 122.217 -1.965 19155 3911 1 9 . 1 1 36 36 VAL HA H 36 3.494 3.494 3.428 0.066 19155 3912 1 9 . 1 1 36 36 VAL C C 36 177.667 177.667 177.489 0.178 19155 3913 1 9 . 1 1 36 36 VAL CA C 36 66.312 66.312 66.972 -0.660 19155 3914 1 9 . 1 1 36 36 VAL CB C 36 31.787 31.787 31.011 0.776 19155 3915 1 9 . 1 1 36 36 VAL H H 36 8.148 8.148 8.023 0.125 19155 3916 1 9 . 1 1 37 37 ALA N N 37 121.815 121.815 121.567 0.248 19155 3917 1 9 . 1 1 37 37 ALA HA H 37 4.168 4.168 3.860 0.308 19155 3918 1 9 . 1 1 37 37 ALA C C 37 180.404 180.404 179.171 1.233 19155 3919 1 9 . 1 1 37 37 ALA CA C 37 55.062 55.062 54.889 0.173 19155 3920 1 9 . 1 1 37 37 ALA CB C 37 18.114 18.114 17.940 0.174 19155 3921 1 9 . 1 1 37 37 ALA H H 37 7.526 7.526 7.825 -0.299 19155 3922 1 9 . 1 1 38 38 LEU N N 38 122.124 122.124 119.254 2.870 19155 3923 1 9 . 1 1 38 38 LEU HA H 38 3.574 3.574 3.682 -0.108 19155 3924 1 9 . 1 1 38 38 LEU C C 38 177.815 177.815 178.588 -0.773 19155 3925 1 9 . 1 1 38 38 LEU CA C 38 57.671 57.671 57.392 0.279 19155 3926 1 9 . 1 1 38 38 LEU CB C 38 40.383 40.383 41.513 -1.130 19155 3927 1 9 . 1 1 38 38 LEU H H 38 7.987 7.987 7.367 0.620 19155 3928 1 9 . 1 1 39 39 VAL N N 39 119.627 119.627 118.383 1.244 19155 3929 1 9 . 1 1 39 39 VAL HA H 39 3.295 3.295 3.536 -0.241 19155 3930 1 9 . 1 1 39 39 VAL C C 39 178.084 178.084 178.084 0.000 19155 3931 1 9 . 1 1 39 39 VAL CA C 39 67.710 67.710 66.660 1.050 19155 3932 1 9 . 1 1 39 39 VAL CB C 39 31.393 31.393 30.650 0.743 19155 3933 1 9 . 1 1 39 39 VAL H H 39 8.410 8.410 8.367 0.043 19155 3934 1 9 . 1 1 40 40 ASN N N 40 117.904 117.904 117.710 0.194 19155 3935 1 9 . 1 1 40 40 ASN HA H 40 4.528 4.528 4.476 0.052 19155 3936 1 9 . 1 1 40 40 ASN C C 40 177.814 177.814 177.437 0.377 19155 3937 1 9 . 1 1 40 40 ASN CA C 40 56.214 56.214 56.277 -0.063 19155 3938 1 9 . 1 1 40 40 ASN CB C 40 37.990 37.990 38.524 -0.534 19155 3939 1 9 . 1 1 40 40 ASN H H 40 8.211 8.211 8.176 0.035 19155 3940 1 9 . 1 1 41 41 GLU N N 41 122.117 122.117 120.971 1.146 19155 3941 1 9 . 1 1 41 41 GLU HA H 41 4.330 4.330 4.341 -0.011 19155 3942 1 9 . 1 1 41 41 GLU C C 41 179.186 179.186 178.366 0.820 19155 3943 1 9 . 1 1 41 41 GLU CA C 41 59.444 59.444 58.098 1.346 19155 3944 1 9 . 1 1 41 41 GLU CB C 41 28.935 28.935 29.938 -1.003 19155 3945 1 9 . 1 1 41 41 GLU H H 41 7.895 7.895 7.682 0.213 19155 3946 1 9 . 1 1 42 42 LEU N N 42 118.997 118.997 119.473 -0.476 19155 3947 1 9 . 1 1 42 42 LEU HA H 42 4.036 4.036 3.921 0.115 19155 3948 1 9 . 1 1 42 42 LEU C C 42 179.072 179.072 178.777 0.295 19155 3949 1 9 . 1 1 42 42 LEU CA C 42 58.028 58.028 58.587 -0.559 19155 3950 1 9 . 1 1 42 42 LEU CB C 42 41.053 41.053 41.745 -0.692 19155 3951 1 9 . 1 1 42 42 LEU H H 42 8.915 8.915 8.661 0.254 19155 3952 1 9 . 1 1 43 43 ASN N N 43 117.439 117.439 115.202 2.237 19155 3953 1 9 . 1 1 43 43 ASN HA H 43 4.560 4.560 4.452 0.108 19155 3954 1 9 . 1 1 43 43 ASN C C 43 177.692 177.692 176.817 0.875 19155 3955 1 9 . 1 1 43 43 ASN CA C 43 56.224 56.224 55.668 0.556 19155 3956 1 9 . 1 1 43 43 ASN CB C 43 38.241 38.241 37.923 0.318 19155 3957 1 9 . 1 1 43 43 ASN H H 43 8.436 8.436 8.026 0.410 19155 3958 1 9 . 1 1 44 44 ASN N N 44 121.188 121.188 119.963 1.225 19155 3959 1 9 . 1 1 44 44 ASN HA H 44 4.647 4.647 4.777 -0.130 19155 3960 1 9 . 1 1 44 44 ASN C C 44 178.704 178.704 177.514 1.190 19155 3961 1 9 . 1 1 44 44 ASN CA C 44 56.233 56.233 55.834 0.399 19155 3962 1 9 . 1 1 44 44 ASN CB C 44 37.466 37.466 38.437 -0.971 19155 3963 1 9 . 1 1 44 44 ASN H H 44 8.079 8.079 7.563 0.516 19155 3964 1 9 . 1 1 45 45 ILE N N 45 124.315 124.315 120.032 4.283 19155 3965 1 9 . 1 1 45 45 ILE HA H 45 3.985 3.985 3.758 0.227 19155 3966 1 9 . 1 1 45 45 ILE C C 45 177.925 177.925 177.785 0.140 19155 3967 1 9 . 1 1 45 45 ILE CA C 45 65.578 65.578 65.645 -0.067 19155 3968 1 9 . 1 1 45 45 ILE CB C 45 38.903 38.903 37.543 1.360 19155 3969 1 9 . 1 1 45 45 ILE H H 45 8.533 8.533 8.177 0.356 19155 3970 1 9 . 1 1 46 46 LYS N N 46 119.624 119.624 120.434 -0.810 19155 3971 1 9 . 1 1 46 46 LYS HA H 46 3.743 3.743 3.958 -0.215 19155 3972 1 9 . 1 1 46 46 LYS C C 46 177.699 177.699 178.861 -1.162 19155 3973 1 9 . 1 1 46 46 LYS CA C 46 60.161 60.161 60.464 -0.303 19155 3974 1 9 . 1 1 46 46 LYS CB C 46 31.420 31.420 32.337 -0.917 19155 3975 1 9 . 1 1 46 46 LYS H H 46 8.660 8.660 7.803 0.857 19155 3976 1 9 . 1 1 47 47 ASN N N 47 116.034 116.034 117.865 -1.831 19155 3977 1 9 . 1 1 47 47 ASN HA H 47 4.468 4.468 4.370 0.098 19155 3978 1 9 . 1 1 47 47 ASN C C 47 177.768 177.768 177.472 0.296 19155 3979 1 9 . 1 1 47 47 ASN CA C 47 56.538 56.538 56.625 -0.087 19155 3980 1 9 . 1 1 47 47 ASN CB C 47 37.882 37.882 38.296 -0.414 19155 3981 1 9 . 1 1 47 47 ASN H H 47 8.344 8.344 8.143 0.201 19155 3982 1 9 . 1 1 48 48 GLU N N 48 121.665 121.665 120.867 0.798 19155 3983 1 9 . 1 1 48 48 GLU HA H 48 4.044 4.044 3.973 0.071 19155 3984 1 9 . 1 1 48 48 GLU C C 48 179.915 179.915 179.151 0.764 19155 3985 1 9 . 1 1 48 48 GLU CA C 48 59.444 59.444 59.392 0.052 19155 3986 1 9 . 1 1 48 48 GLU CB C 48 29.230 29.230 29.833 -0.603 19155 3987 1 9 . 1 1 48 48 GLU H H 48 8.301 8.301 7.905 0.396 19155 3988 1 9 . 1 1 49 49 TYR N N 49 117.600 117.600 118.303 -0.703 19155 3989 1 9 . 1 1 49 49 TYR HA H 49 3.992 3.992 4.442 -0.450 19155 3990 1 9 . 1 1 49 49 TYR C C 49 178.275 178.275 177.998 0.277 19155 3991 1 9 . 1 1 49 49 TYR CA C 49 64.508 64.508 60.993 3.515 19155 3992 1 9 . 1 1 49 49 TYR CB C 49 37.881 37.881 38.778 -0.897 19155 3993 1 9 . 1 1 49 49 TYR H H 49 8.581 8.581 8.334 0.247 19155 3994 1 9 . 1 1 50 50 LEU N N 50 122.126 122.126 121.272 0.854 19155 3995 1 9 . 1 1 50 50 LEU HA H 50 4.181 4.181 3.822 0.359 19155 3996 1 9 . 1 1 50 50 LEU C C 50 180.089 180.089 178.916 1.173 19155 3997 1 9 . 1 1 50 50 LEU CA C 50 59.061 59.061 58.599 0.462 19155 3998 1 9 . 1 1 50 50 LEU CB C 50 40.096 40.096 41.646 -1.550 19155 3999 1 9 . 1 1 50 50 LEU H H 50 9.207 9.207 8.823 0.384 19155 4000 1 9 . 1 1 51 51 ASN N N 51 117.124 117.124 117.424 -0.300 19155 4001 1 9 . 1 1 51 51 ASN HA H 51 4.535 4.535 4.379 0.156 19155 4002 1 9 . 1 1 51 51 ASN C C 51 177.522 177.522 177.139 0.383 19155 4003 1 9 . 1 1 51 51 ASN CA C 51 56.240 56.240 56.505 -0.265 19155 4004 1 9 . 1 1 51 51 ASN CB C 51 37.898 37.898 38.363 -0.465 19155 4005 1 9 . 1 1 51 51 ASN H H 51 7.634 7.634 8.028 -0.394 19155 4006 1 9 . 1 1 52 52 LYS N N 52 119.154 119.154 120.123 -0.969 19155 4007 1 9 . 1 1 52 52 LYS HA H 52 4.037 4.037 3.945 0.092 19155 4008 1 9 . 1 1 52 52 LYS C C 52 179.905 179.905 179.208 0.697 19155 4009 1 9 . 1 1 52 52 LYS CA C 52 59.803 59.803 59.493 0.310 19155 4010 1 9 . 1 1 52 52 LYS CB C 52 33.215 33.215 32.273 0.942 19155 4011 1 9 . 1 1 52 52 LYS H H 52 7.663 7.663 7.338 0.325 19155 4012 1 9 . 1 1 53 53 ILE N N 53 121.662 121.662 119.211 2.451 19155 4013 1 9 . 1 1 53 53 ILE HA H 53 3.532 3.532 3.929 -0.397 19155 4014 1 9 . 1 1 53 53 ILE C C 53 178.489 178.489 178.205 0.284 19155 4015 1 9 . 1 1 53 53 ILE CA C 53 65.906 65.906 64.891 1.015 19155 4016 1 9 . 1 1 53 53 ILE CB C 53 38.249 38.249 38.224 0.025 19155 4017 1 9 . 1 1 53 53 ILE H H 53 8.493 8.493 8.351 0.142 19155 4018 1 9 . 1 1 54 54 VAL N N 54 119.477 119.477 118.881 0.596 19155 4019 1 9 . 1 1 54 54 VAL HA H 54 3.647 3.647 3.846 -0.199 19155 4020 1 9 . 1 1 54 54 VAL C C 54 176.683 176.683 176.978 -0.295 19155 4021 1 9 . 1 1 54 54 VAL CA C 54 66.643 66.643 64.319 2.324 19155 4022 1 9 . 1 1 54 54 VAL CB C 54 31.448 31.448 32.357 -0.909 19155 4023 1 9 . 1 1 54 54 VAL H H 54 7.598 7.598 7.510 0.088 19155 4024 1 9 . 1 1 55 55 GLU N N 55 114.467 114.467 119.442 -4.975 19155 4025 1 9 . 1 1 55 55 GLU HA H 55 4.281 4.281 4.272 0.009 19155 4026 1 9 . 1 1 55 55 GLU C C 55 176.914 176.914 176.418 0.496 19155 4027 1 9 . 1 1 55 55 GLU CA C 55 56.195 56.195 56.355 -0.160 19155 4028 1 9 . 1 1 55 55 GLU CB C 55 30.354 30.354 29.999 0.355 19155 4029 1 9 . 1 1 55 55 GLU H H 55 7.064 7.064 8.181 -1.117 19155 4030 1 9 . 1 1 56 56 SER N N 56 116.806 116.806 113.689 3.117 19155 4031 1 9 . 1 1 56 56 SER HA H 56 4.435 4.435 4.423 0.012 19155 4032 1 9 . 1 1 56 56 SER C C 56 175.566 175.566 175.471 0.095 19155 4033 1 9 . 1 1 56 56 SER CA C 56 60.163 60.163 59.280 0.883 19155 4034 1 9 . 1 1 56 56 SER CB C 56 64.439 64.439 63.831 0.608 19155 4035 1 9 . 1 1 56 56 SER H H 56 7.504 7.504 7.638 -0.134 19155 4036 1 9 . 1 1 57 57 THR N N 57 111.347 111.347 114.783 -3.436 19155 4037 1 9 . 1 1 57 57 THR HA H 57 4.539 4.539 4.335 0.204 19155 4038 1 9 . 1 1 57 57 THR C C 57 174.424 174.424 174.104 0.320 19155 4039 1 9 . 1 1 57 57 THR CA C 57 61.518 61.518 62.132 -0.614 19155 4040 1 9 . 1 1 57 57 THR CB C 57 70.377 70.377 69.496 0.881 19155 4041 1 9 . 1 1 57 57 THR H H 57 9.083 9.083 8.302 0.781 19155 4042 1 9 . 1 1 58 58 SER N N 58 115.415 115.415 116.931 -1.516 19155 4043 1 9 . 1 1 58 58 SER HA H 58 5.059 5.059 4.698 0.361 19155 4044 1 9 . 1 1 58 58 SER C C 58 174.278 174.278 174.289 -0.011 19155 4045 1 9 . 1 1 58 58 SER CA C 58 56.928 56.928 57.372 -0.444 19155 4046 1 9 . 1 1 58 58 SER CB C 58 66.570 66.570 66.218 0.352 19155 4047 1 9 . 1 1 58 58 SER H H 58 7.689 7.689 7.697 -0.008 19155 4048 1 9 . 1 1 59 59 GLU N N 59 124.305 124.305 125.899 -1.594 19155 4049 1 9 . 1 1 59 59 GLU HA H 59 3.990 3.990 3.922 0.068 19155 4050 1 9 . 1 1 59 59 GLU C C 59 179.113 179.113 178.319 0.794 19155 4051 1 9 . 1 1 59 59 GLU CA C 59 60.159 60.159 60.243 -0.084 19155 4052 1 9 . 1 1 59 59 GLU CB C 59 29.616 29.616 29.250 0.365 19155 4053 1 9 . 1 1 59 59 GLU H H 59 9.719 9.719 9.053 0.666 19155 4054 1 9 . 1 1 60 60 SER N N 60 115.406 115.406 114.185 1.221 19155 4055 1 9 . 1 1 60 60 SER HA H 60 4.249 4.249 3.990 0.259 19155 4056 1 9 . 1 1 60 60 SER C C 60 177.307 177.307 176.178 1.129 19155 4057 1 9 . 1 1 60 60 SER CA C 60 61.259 61.259 61.761 -0.502 19155 4058 1 9 . 1 1 60 60 SER CB C 60 61.960 61.960 62.653 -0.693 19155 4059 1 9 . 1 1 60 60 SER H H 60 8.614 8.614 8.336 0.278 19155 4060 1 9 . 1 1 61 61 GLN N N 61 121.656 121.656 121.703 -0.047 19155 4061 1 9 . 1 1 61 61 GLN HA H 61 4.107 4.107 4.158 -0.051 19155 4062 1 9 . 1 1 61 61 GLN C C 61 178.777 178.777 178.319 0.458 19155 4063 1 9 . 1 1 61 61 GLN CA C 61 58.743 58.743 58.454 0.289 19155 4064 1 9 . 1 1 61 61 GLN CB C 61 28.900 28.900 28.449 0.451 19155 4065 1 9 . 1 1 61 61 GLN H H 61 7.669 7.669 8.093 -0.424 19155 4066 1 9 . 1 1 62 62 LEU N N 62 118.689 118.689 119.874 -1.185 19155 4067 1 9 . 1 1 62 62 LEU HA H 62 4.035 4.035 3.967 0.068 19155 4068 1 9 . 1 1 62 62 LEU C C 62 178.363 178.363 179.484 -1.121 19155 4069 1 9 . 1 1 62 62 LEU CA C 62 58.725 58.725 58.004 0.721 19155 4070 1 9 . 1 1 62 62 LEU CB C 62 41.836 41.836 41.688 0.148 19155 4071 1 9 . 1 1 62 62 LEU H H 62 7.736 7.736 8.018 -0.282 19155 4072 1 9 . 1 1 63 63 GLN N N 63 117.441 117.441 117.395 0.046 19155 4073 1 9 . 1 1 63 63 GLN HA H 63 4.078 4.078 4.005 0.073 19155 4074 1 9 . 1 1 63 63 GLN C C 63 179.312 179.312 178.711 0.601 19155 4075 1 9 . 1 1 63 63 GLN CA C 63 59.062 59.062 58.733 0.329 19155 4076 1 9 . 1 1 63 63 GLN CB C 63 27.819 27.819 28.812 -0.993 19155 4077 1 9 . 1 1 63 63 GLN H H 63 7.943 7.943 7.751 0.192 19155 4078 1 9 . 1 1 64 64 ILE N N 64 120.406 120.406 119.916 0.490 19155 4079 1 9 . 1 1 64 64 ILE HA H 64 3.809 3.809 3.907 -0.098 19155 4080 1 9 . 1 1 64 64 ILE C C 64 178.734 178.734 178.005 0.729 19155 4081 1 9 . 1 1 64 64 ILE CA C 64 64.722 64.722 61.844 2.878 19155 4082 1 9 . 1 1 64 64 ILE CB C 64 37.971 37.971 36.710 1.261 19155 4083 1 9 . 1 1 64 64 ILE H H 64 7.544 7.544 7.527 0.017 19155 4084 1 9 . 1 1 65 65 LEU N N 65 120.247 120.247 119.972 0.275 19155 4085 1 9 . 1 1 65 65 LEU HA H 65 4.212 4.212 4.059 0.153 19155 4086 1 9 . 1 1 65 65 LEU C C 65 179.685 179.685 179.107 0.578 19155 4087 1 9 . 1 1 65 65 LEU CA C 65 58.004 58.004 58.110 -0.106 19155 4088 1 9 . 1 1 65 65 LEU CB C 65 42.553 42.553 41.342 1.211 19155 4089 1 9 . 1 1 65 65 LEU H H 65 8.361 8.361 8.650 -0.289 19155 4090 1 9 . 1 1 66 66 MET N N 66 118.685 118.685 118.275 0.410 19155 4091 1 9 . 1 1 66 66 MET HA H 66 3.918 3.918 3.960 -0.042 19155 4092 1 9 . 1 1 66 66 MET C C 66 178.906 178.906 178.515 0.391 19155 4093 1 9 . 1 1 66 66 MET CA C 66 59.467 59.467 59.391 0.076 19155 4094 1 9 . 1 1 66 66 MET CB C 66 33.519 33.519 32.501 1.018 19155 4095 1 9 . 1 1 66 66 MET H H 66 8.458 8.458 7.492 0.966 19155 4096 1 9 . 1 1 67 67 MET N N 67 118.685 118.685 118.205 0.480 19155 4097 1 9 . 1 1 67 67 MET HA H 67 4.098 4.098 3.902 0.196 19155 4098 1 9 . 1 1 67 67 MET C C 67 178.781 178.781 178.651 0.130 19155 4099 1 9 . 1 1 67 67 MET CA C 67 58.379 58.379 59.853 -1.474 19155 4100 1 9 . 1 1 67 67 MET CB C 67 32.031 32.031 32.282 -0.251 19155 4101 1 9 . 1 1 67 67 MET H H 67 7.559 7.559 7.690 -0.131 19155 4102 1 9 . 1 1 68 68 GLU N N 68 122.128 122.128 119.950 2.178 19155 4103 1 9 . 1 1 68 68 GLU HA H 68 3.990 3.990 4.019 -0.029 19155 4104 1 9 . 1 1 68 68 GLU C C 68 178.803 178.803 178.947 -0.144 19155 4105 1 9 . 1 1 68 68 GLU CA C 68 59.459 59.459 59.773 -0.313 19155 4106 1 9 . 1 1 68 68 GLU CB C 68 30.706 30.706 29.229 1.477 19155 4107 1 9 . 1 1 68 68 GLU H H 68 8.895 8.895 8.781 0.114 19155 4108 1 9 . 1 1 69 69 SER N N 69 114.769 114.769 115.385 -0.616 19155 4109 1 9 . 1 1 69 69 SER HA H 69 2.872 2.872 3.389 -0.517 19155 4110 1 9 . 1 1 69 69 SER C C 69 175.801 175.801 176.388 -0.587 19155 4111 1 9 . 1 1 69 69 SER CA C 69 62.000 62.000 61.173 0.827 19155 4112 1 9 . 1 1 69 69 SER CB C 69 62.282 62.282 62.650 -0.368 19155 4113 1 9 . 1 1 69 69 SER H H 69 8.161 8.161 7.998 0.163 19155 4114 1 9 . 1 1 70 70 ARG N N 70 120.552 120.552 120.858 -0.306 19155 4115 1 9 . 1 1 70 70 ARG HA H 70 3.744 3.744 3.920 -0.176 19155 4116 1 9 . 1 1 70 70 ARG C C 70 177.654 177.654 178.482 -0.828 19155 4117 1 9 . 1 1 70 70 ARG CA C 70 59.793 59.793 59.718 0.075 19155 4118 1 9 . 1 1 70 70 ARG CB C 70 29.974 29.974 29.898 0.076 19155 4119 1 9 . 1 1 70 70 ARG H H 70 6.945 6.945 8.410 -1.465 19155 4120 1 9 . 1 1 71 71 SER N N 71 113.064 113.064 115.860 -2.796 19155 4121 1 9 . 1 1 71 71 SER HA H 71 4.275 4.275 4.164 0.111 19155 4122 1 9 . 1 1 71 71 SER C C 71 177.491 177.491 176.450 1.041 19155 4123 1 9 . 1 1 71 71 SER CA C 71 61.571 61.571 62.350 -0.779 19155 4124 1 9 . 1 1 71 71 SER CB C 71 62.710 62.710 62.695 0.015 19155 4125 1 9 . 1 1 71 71 SER H H 71 7.721 7.721 8.303 -0.582 19155 4126 1 9 . 1 1 72 72 LYS N N 72 121.657 121.657 121.621 0.036 19155 4127 1 9 . 1 1 72 72 LYS HA H 72 4.170 4.170 4.112 0.058 19155 4128 1 9 . 1 1 72 72 LYS C C 72 180.429 180.429 179.013 1.416 19155 4129 1 9 . 1 1 72 72 LYS CA C 72 58.725 58.725 59.123 -0.398 19155 4130 1 9 . 1 1 72 72 LYS CB C 72 32.131 32.131 32.368 -0.237 19155 4131 1 9 . 1 1 72 72 LYS H H 72 8.414 8.414 7.798 0.615 19155 4132 1 9 . 1 1 73 73 VAL N N 73 123.222 123.222 122.096 1.126 19155 4133 1 9 . 1 1 73 73 VAL HA H 73 3.598 3.598 3.654 -0.056 19155 4134 1 9 . 1 1 73 73 VAL C C 73 176.929 176.929 177.482 -0.553 19155 4135 1 9 . 1 1 73 73 VAL CA C 73 66.975 66.975 67.002 -0.027 19155 4136 1 9 . 1 1 73 73 VAL CB C 73 31.704 31.704 31.373 0.331 19155 4137 1 9 . 1 1 73 73 VAL H H 73 8.421 8.421 8.279 0.142 19155 4138 1 9 . 1 1 74 74 ASP N N 74 120.101 120.101 119.776 0.325 19155 4139 1 9 . 1 1 74 74 ASP HA H 74 4.393 4.393 4.400 -0.007 19155 4140 1 9 . 1 1 74 74 ASP C C 74 180.001 180.001 178.709 1.292 19155 4141 1 9 . 1 1 74 74 ASP CA C 74 57.324 57.324 57.793 -0.469 19155 4142 1 9 . 1 1 74 74 ASP CB C 74 39.326 39.326 40.360 -1.034 19155 4143 1 9 . 1 1 74 74 ASP H H 74 8.674 8.674 8.649 0.025 19155 4144 1 9 . 1 1 75 75 GLU N N 75 121.349 121.349 120.341 1.008 19155 4145 1 9 . 1 1 75 75 GLU HA H 75 4.113 4.113 3.985 0.128 19155 4146 1 9 . 1 1 75 75 GLU C C 75 178.732 178.732 178.483 0.249 19155 4147 1 9 . 1 1 75 75 GLU CA C 75 59.083 59.083 59.497 -0.414 19155 4148 1 9 . 1 1 75 75 GLU CB C 75 29.975 29.975 29.754 0.221 19155 4149 1 9 . 1 1 75 75 GLU H H 75 8.475 8.475 8.222 0.253 19155 4150 1 9 . 1 1 76 76 ALA N N 76 124.160 124.160 122.350 1.810 19155 4151 1 9 . 1 1 76 76 ALA HA H 76 4.281 4.281 4.028 0.253 19155 4152 1 9 . 1 1 76 76 ALA C C 76 179.906 179.906 180.031 -0.125 19155 4153 1 9 . 1 1 76 76 ALA CA C 76 55.530 55.530 55.245 0.285 19155 4154 1 9 . 1 1 76 76 ALA CB C 76 17.424 17.424 18.327 -0.903 19155 4155 1 9 . 1 1 76 76 ALA H H 76 7.944 7.944 8.014 -0.070 19155 4156 1 9 . 1 1 77 77 VAL N N 77 117.439 117.439 118.594 -1.155 19155 4157 1 9 . 1 1 77 77 VAL HA H 77 3.644 3.644 3.597 0.047 19155 4158 1 9 . 1 1 77 77 VAL C C 77 178.784 178.784 178.378 0.406 19155 4159 1 9 . 1 1 77 77 VAL CA C 77 66.958 66.958 66.727 0.231 19155 4160 1 9 . 1 1 77 77 VAL CB C 77 31.807 31.807 31.506 0.301 19155 4161 1 9 . 1 1 77 77 VAL H H 77 8.204 8.204 8.380 -0.176 19155 4162 1 9 . 1 1 78 78 SER N N 78 113.687 113.687 113.756 -0.069 19155 4163 1 9 . 1 1 78 78 SER HA H 78 4.266 4.266 4.259 0.007 19155 4164 1 9 . 1 1 78 78 SER C C 78 176.762 176.762 175.379 1.383 19155 4165 1 9 . 1 1 78 78 SER CA C 78 61.241 61.241 61.589 -0.348 19155 4166 1 9 . 1 1 78 78 SER CB C 78 62.678 62.678 63.164 -0.486 19155 4167 1 9 . 1 1 78 78 SER H H 78 7.935 7.935 7.778 0.157 19155 4168 1 9 . 1 1 79 79 LYS N N 79 121.029 121.029 120.897 0.132 19155 4169 1 9 . 1 1 79 79 LYS HA H 79 4.070 4.070 4.012 0.058 19155 4170 1 9 . 1 1 79 79 LYS C C 79 178.135 178.135 179.162 -1.027 19155 4171 1 9 . 1 1 79 79 LYS CA C 79 58.723 58.723 58.911 -0.188 19155 4172 1 9 . 1 1 79 79 LYS CB C 79 32.489 32.489 32.340 0.149 19155 4173 1 9 . 1 1 79 79 LYS H H 79 7.989 7.989 8.030 -0.041 19155 4174 1 9 . 1 1 80 80 PHE N N 80 117.437 117.437 117.479 -0.042 19155 4175 1 9 . 1 1 80 80 PHE HA H 80 4.490 4.490 4.549 -0.059 19155 4176 1 9 . 1 1 80 80 PHE C C 80 176.236 176.236 176.392 -0.156 19155 4177 1 9 . 1 1 80 80 PHE CA C 80 59.444 59.444 59.096 0.348 19155 4178 1 9 . 1 1 80 80 PHE CB C 80 40.032 40.032 38.926 1.106 19155 4179 1 9 . 1 1 80 80 PHE H H 80 7.838 7.838 7.852 -0.014 19155 4180 1 9 . 1 1 81 81 GLU N N 81 120.092 120.092 116.474 3.618 19155 4181 1 9 . 1 1 81 81 GLU HA H 81 4.290 4.290 4.209 0.081 19155 4182 1 9 . 1 1 81 81 GLU C C 81 175.715 175.715 176.474 -0.759 19155 4183 1 9 . 1 1 81 81 GLU CA C 81 56.928 56.928 57.706 -0.778 19155 4184 1 9 . 1 1 81 81 GLU CB C 81 29.997 29.997 29.684 0.313 19155 4185 1 9 . 1 1 81 81 GLU H H 81 7.864 7.864 7.821 0.043 19155 4186 1 10 . 1 1 2 2 ASP N N 2 119.961 119.961 122.027 -2.066 19155 4187 1 10 . 1 1 2 2 ASP HA H 2 4.440 4.440 4.443 -0.003 19155 4188 1 10 . 1 1 2 2 ASP C C 2 178.594 178.594 178.080 0.514 19155 4189 1 10 . 1 1 2 2 ASP CA C 2 57.997 57.997 57.469 0.527 19155 4190 1 10 . 1 1 2 2 ASP CB C 2 40.098 40.098 40.254 -0.156 19155 4191 1 10 . 1 1 2 2 ASP H H 2 8.260 8.260 8.673 -0.413 19155 4192 1 10 . 1 1 3 3 SER N N 3 115.401 115.401 112.903 2.498 19155 4193 1 10 . 1 1 3 3 SER HA H 3 4.358 4.358 4.235 0.123 19155 4194 1 10 . 1 1 3 3 SER C C 3 177.657 177.657 176.444 1.213 19155 4195 1 10 . 1 1 3 3 SER CA C 3 60.656 60.656 60.762 -0.106 19155 4196 1 10 . 1 1 3 3 SER CB C 3 62.319 62.319 62.795 -0.476 19155 4197 1 10 . 1 1 3 3 SER H H 3 8.112 8.112 8.473 -0.361 19155 4198 1 10 . 1 1 4 4 GLU N N 4 122.287 122.287 123.128 -0.841 19155 4199 1 10 . 1 1 4 4 GLU HA H 4 4.045 4.045 4.298 -0.253 19155 4200 1 10 . 1 1 4 4 GLU C C 4 180.035 180.035 178.250 1.785 19155 4201 1 10 . 1 1 4 4 GLU CA C 4 59.072 59.072 58.355 0.717 19155 4202 1 10 . 1 1 4 4 GLU CB C 4 28.538 28.538 29.780 -1.242 19155 4203 1 10 . 1 1 4 4 GLU H H 4 8.472 8.472 7.505 0.967 19155 4204 1 10 . 1 1 5 5 ARG N N 5 121.026 121.026 118.694 2.332 19155 4205 1 10 . 1 1 5 5 ARG HA H 5 3.894 3.894 4.035 -0.141 19155 4206 1 10 . 1 1 5 5 ARG C C 5 178.298 178.298 178.130 0.168 19155 4207 1 10 . 1 1 5 5 ARG CA C 5 60.564 60.564 59.505 1.059 19155 4208 1 10 . 1 1 5 5 ARG CB C 5 30.681 30.681 29.695 0.986 19155 4209 1 10 . 1 1 5 5 ARG H H 5 8.771 8.771 8.533 0.238 19155 4210 1 10 . 1 1 6 6 ASP N N 6 119.775 119.775 120.236 -0.461 19155 4211 1 10 . 1 1 6 6 ASP HA H 6 4.455 4.455 4.420 0.035 19155 4212 1 10 . 1 1 6 6 ASP C C 6 178.676 178.676 178.188 0.488 19155 4213 1 10 . 1 1 6 6 ASP CA C 6 57.956 57.956 57.398 0.558 19155 4214 1 10 . 1 1 6 6 ASP CB C 6 40.774 40.774 40.602 0.172 19155 4215 1 10 . 1 1 6 6 ASP H H 6 7.889 7.889 8.461 -0.572 19155 4216 1 10 . 1 1 7 7 LYS N N 7 119.937 119.937 119.460 0.477 19155 4217 1 10 . 1 1 7 7 LYS HA H 7 4.014 4.014 4.050 -0.036 19155 4218 1 10 . 1 1 7 7 LYS C C 7 178.977 178.977 178.638 0.339 19155 4219 1 10 . 1 1 7 7 LYS CA C 7 59.793 59.793 59.237 0.556 19155 4220 1 10 . 1 1 7 7 LYS CB C 7 32.850 32.850 32.345 0.505 19155 4221 1 10 . 1 1 7 7 LYS H H 7 7.950 7.950 7.440 0.510 19155 4222 1 10 . 1 1 8 8 ALA N N 8 122.436 122.436 121.939 0.497 19155 4223 1 10 . 1 1 8 8 ALA HA H 8 4.478 4.478 4.178 0.300 19155 4224 1 10 . 1 1 8 8 ALA C C 8 178.764 178.764 179.408 -0.644 19155 4225 1 10 . 1 1 8 8 ALA CA C 8 55.168 55.168 54.879 0.289 19155 4226 1 10 . 1 1 8 8 ALA CB C 8 19.502 19.502 18.547 0.955 19155 4227 1 10 . 1 1 8 8 ALA H H 8 7.976 7.976 7.777 0.199 19155 4228 1 10 . 1 1 9 9 ARG N N 9 118.059 118.059 117.718 0.341 19155 4229 1 10 . 1 1 9 9 ARG HA H 9 3.801 3.801 4.055 -0.254 19155 4230 1 10 . 1 1 9 9 ARG C C 9 177.874 177.874 178.317 -0.443 19155 4231 1 10 . 1 1 9 9 ARG CA C 9 59.794 59.794 59.031 0.763 19155 4232 1 10 . 1 1 9 9 ARG CB C 9 29.989 29.989 29.872 0.117 19155 4233 1 10 . 1 1 9 9 ARG H H 9 8.489 8.489 8.465 0.024 19155 4234 1 10 . 1 1 10 10 LYS N N 10 118.064 118.064 120.570 -2.506 19155 4235 1 10 . 1 1 10 10 LYS HA H 10 4.138 4.138 4.045 0.093 19155 4236 1 10 . 1 1 10 10 LYS C C 10 178.619 178.619 178.653 -0.034 19155 4237 1 10 . 1 1 10 10 LYS CA C 10 59.421 59.421 58.946 0.475 19155 4238 1 10 . 1 1 10 10 LYS CB C 10 32.467 32.467 31.834 0.633 19155 4239 1 10 . 1 1 10 10 LYS H H 10 7.833 7.833 7.878 -0.045 19155 4240 1 10 . 1 1 11 11 GLU N N 11 118.845 118.845 119.533 -0.688 19155 4241 1 10 . 1 1 11 11 GLU HA H 11 4.107 4.107 4.118 -0.011 19155 4242 1 10 . 1 1 11 11 GLU C C 11 180.137 180.137 179.041 1.096 19155 4243 1 10 . 1 1 11 11 GLU CA C 11 59.803 59.803 59.300 0.503 19155 4244 1 10 . 1 1 11 11 GLU CB C 11 29.248 29.248 29.328 -0.080 19155 4245 1 10 . 1 1 11 11 GLU H H 11 7.991 7.991 7.883 0.108 19155 4246 1 10 . 1 1 12 12 VAL N N 12 120.562 120.562 115.242 5.320 19155 4247 1 10 . 1 1 12 12 VAL HA H 12 3.851 3.851 3.836 0.015 19155 4248 1 10 . 1 1 12 12 VAL C C 12 178.182 178.182 178.034 0.148 19155 4249 1 10 . 1 1 12 12 VAL CA C 12 66.625 66.625 65.852 0.773 19155 4250 1 10 . 1 1 12 12 VAL CB C 12 31.784 31.784 31.545 0.239 19155 4251 1 10 . 1 1 12 12 VAL H H 12 8.173 8.173 7.452 0.721 19155 4252 1 10 . 1 1 13 13 GLU N N 13 117.912 117.912 121.460 -3.548 19155 4253 1 10 . 1 1 13 13 GLU HA H 13 3.841 3.841 4.017 -0.176 19155 4254 1 10 . 1 1 13 13 GLU C C 13 179.959 179.959 179.084 0.875 19155 4255 1 10 . 1 1 13 13 GLU CA C 13 60.498 60.498 60.093 0.405 19155 4256 1 10 . 1 1 13 13 GLU CB C 13 30.014 30.014 29.239 0.775 19155 4257 1 10 . 1 1 13 13 GLU H H 13 8.624 8.624 8.317 0.307 19155 4258 1 10 . 1 1 14 14 GLU N N 14 117.909 117.909 120.272 -2.363 19155 4259 1 10 . 1 1 14 14 GLU HA H 14 4.025 4.025 4.037 -0.012 19155 4260 1 10 . 1 1 14 14 GLU C C 14 179.020 179.020 179.042 -0.022 19155 4261 1 10 . 1 1 14 14 GLU CA C 14 59.442 59.442 59.430 0.012 19155 4262 1 10 . 1 1 14 14 GLU CB C 14 29.257 29.257 29.716 -0.459 19155 4263 1 10 . 1 1 14 14 GLU H H 14 8.904 8.904 8.474 0.430 19155 4264 1 10 . 1 1 15 15 TYR N N 15 122.592 122.592 120.534 2.058 19155 4265 1 10 . 1 1 15 15 TYR HA H 15 4.359 4.359 4.150 0.209 19155 4266 1 10 . 1 1 15 15 TYR C C 15 177.581 177.581 177.995 -0.414 19155 4267 1 10 . 1 1 15 15 TYR CA C 15 62.430 62.430 61.873 0.557 19155 4268 1 10 . 1 1 15 15 TYR CB C 15 38.541 38.541 38.713 -0.172 19155 4269 1 10 . 1 1 15 15 TYR H H 15 8.170 8.170 8.344 -0.174 19155 4270 1 10 . 1 1 16 16 VAL N N 16 116.497 116.497 118.772 -2.275 19155 4271 1 10 . 1 1 16 16 VAL HA H 16 3.386 3.386 3.538 -0.152 19155 4272 1 10 . 1 1 16 16 VAL C C 16 177.221 177.221 177.761 -0.540 19155 4273 1 10 . 1 1 16 16 VAL CA C 16 68.053 68.053 66.808 1.245 19155 4274 1 10 . 1 1 16 16 VAL CB C 16 31.427 31.427 31.325 0.102 19155 4275 1 10 . 1 1 16 16 VAL H H 16 7.953 7.953 8.139 -0.186 19155 4276 1 10 . 1 1 17 17 LYS N N 17 118.530 118.530 118.760 -0.230 19155 4277 1 10 . 1 1 17 17 LYS HA H 17 3.922 3.922 4.039 -0.117 19155 4278 1 10 . 1 1 17 17 LYS C C 17 179.742 179.742 178.587 1.155 19155 4279 1 10 . 1 1 17 17 LYS CA C 17 60.145 60.145 59.380 0.765 19155 4280 1 10 . 1 1 17 17 LYS CB C 17 32.827 32.827 31.994 0.833 19155 4281 1 10 . 1 1 17 17 LYS H H 17 8.274 8.274 8.290 -0.016 19155 4282 1 10 . 1 1 18 18 LYS N N 18 121.031 121.031 121.344 -0.313 19155 4283 1 10 . 1 1 18 18 LYS HA H 18 4.018 4.018 4.028 -0.010 19155 4284 1 10 . 1 1 18 18 LYS C C 18 178.962 178.962 178.688 0.274 19155 4285 1 10 . 1 1 18 18 LYS CA C 18 59.085 59.085 59.499 -0.414 19155 4286 1 10 . 1 1 18 18 LYS CB C 18 32.132 32.132 32.338 -0.206 19155 4287 1 10 . 1 1 18 18 LYS H H 18 7.946 7.946 8.138 -0.192 19155 4288 1 10 . 1 1 19 19 ILE N N 19 120.718 120.718 118.894 1.824 19155 4289 1 10 . 1 1 19 19 ILE HA H 19 3.727 3.727 3.797 -0.070 19155 4290 1 10 . 1 1 19 19 ILE C C 19 172.120 172.120 177.911 -5.791 19155 4291 1 10 . 1 1 19 19 ILE CA C 19 62.128 62.128 64.177 -2.050 19155 4292 1 10 . 1 1 19 19 ILE CB C 19 35.988 35.988 37.974 -1.986 19155 4293 1 10 . 1 1 19 19 ILE H H 19 7.796 7.796 7.509 0.287 19155 4294 1 10 . 1 1 20 20 VAL N N 20 124.792 124.792 121.225 3.567 19155 4295 1 10 . 1 1 20 20 VAL HA H 20 3.312 3.312 3.460 -0.148 19155 4296 1 10 . 1 1 20 20 VAL C C 20 177.873 177.873 178.079 -0.206 19155 4297 1 10 . 1 1 20 20 VAL CA C 20 67.738 67.738 67.037 0.701 19155 4298 1 10 . 1 1 20 20 VAL CB C 20 31.772 31.772 30.814 0.958 19155 4299 1 10 . 1 1 20 20 VAL H H 20 9.190 9.190 8.486 0.704 19155 4300 1 10 . 1 1 21 21 GLY N N 21 106.034 106.034 106.672 -0.638 19155 4301 1 10 . 1 1 21 21 GLY C C 21 177.470 177.470 176.251 1.219 19155 4302 1 10 . 1 1 21 21 GLY CA C 21 47.226 47.226 47.084 0.142 19155 4303 1 10 . 1 1 21 21 GLY H H 21 8.117 8.117 7.976 0.141 19155 4304 1 10 . 1 1 22 22 GLU N N 22 122.282 122.282 120.738 1.544 19155 4305 1 10 . 1 1 22 22 GLU HA H 22 4.104 4.104 4.088 0.016 19155 4306 1 10 . 1 1 22 22 GLU C C 22 178.827 178.827 178.706 0.121 19155 4307 1 10 . 1 1 22 22 GLU CA C 22 59.016 59.016 58.419 0.597 19155 4308 1 10 . 1 1 22 22 GLU CB C 22 29.619 29.619 29.478 0.141 19155 4309 1 10 . 1 1 22 22 GLU H H 22 8.197 8.197 8.294 -0.097 19155 4310 1 10 . 1 1 23 23 SER N N 23 116.812 116.812 117.055 -0.243 19155 4311 1 10 . 1 1 23 23 SER HA H 23 4.201 4.201 4.101 0.100 19155 4312 1 10 . 1 1 23 23 SER C C 23 177.084 177.084 176.513 0.571 19155 4313 1 10 . 1 1 23 23 SER CA C 23 61.998 61.998 61.662 0.336 19155 4314 1 10 . 1 1 23 23 SER CB C 23 62.105 62.105 62.897 -0.792 19155 4315 1 10 . 1 1 23 23 SER H H 23 8.285 8.285 7.940 0.345 19155 4316 1 10 . 1 1 24 24 TYR N N 24 120.879 120.879 119.137 1.742 19155 4317 1 10 . 1 1 24 24 TYR HA H 24 4.396 4.396 4.354 0.042 19155 4318 1 10 . 1 1 24 24 TYR C C 24 178.846 178.846 176.777 2.069 19155 4319 1 10 . 1 1 24 24 TYR CA C 24 61.189 61.189 60.475 0.714 19155 4320 1 10 . 1 1 24 24 TYR CB C 24 37.866 37.866 37.947 -0.081 19155 4321 1 10 . 1 1 24 24 TYR H H 24 8.254 8.254 7.628 0.626 19155 4322 1 10 . 1 1 25 25 ALA N N 25 122.124 122.124 118.724 3.400 19155 4323 1 10 . 1 1 25 25 ALA HA H 25 4.251 4.251 4.213 0.038 19155 4324 1 10 . 1 1 25 25 ALA C C 25 178.999 178.999 177.743 1.256 19155 4325 1 10 . 1 1 25 25 ALA CA C 25 54.608 54.608 53.634 0.974 19155 4326 1 10 . 1 1 25 25 ALA CB C 25 18.108 18.108 18.979 -0.871 19155 4327 1 10 . 1 1 25 25 ALA H H 25 8.018 8.018 7.600 0.418 19155 4328 1 10 . 1 1 26 26 LYS N N 26 115.251 115.251 118.331 -3.080 19155 4329 1 10 . 1 1 26 26 LYS HA H 26 4.459 4.459 4.372 0.087 19155 4330 1 10 . 1 1 26 26 LYS C C 26 176.598 176.598 177.659 -1.061 19155 4331 1 10 . 1 1 26 26 LYS CA C 26 56.209 56.209 55.994 0.215 19155 4332 1 10 . 1 1 26 26 LYS CB C 26 33.191 33.191 33.555 -0.364 19155 4333 1 10 . 1 1 26 26 LYS H H 26 7.533 7.533 8.027 -0.494 19155 4334 1 10 . 1 1 27 27 SER N N 27 115.400 115.400 117.188 -1.788 19155 4335 1 10 . 1 1 27 27 SER HA H 27 4.332 4.332 4.402 -0.070 19155 4336 1 10 . 1 1 27 27 SER C C 27 174.768 174.768 173.707 1.061 19155 4337 1 10 . 1 1 27 27 SER CA C 27 58.808 58.808 58.621 0.187 19155 4338 1 10 . 1 1 27 27 SER CB C 27 63.397 63.397 64.492 -1.095 19155 4339 1 10 . 1 1 27 27 SER H H 27 7.570 7.570 8.052 -0.482 19155 4340 1 10 . 1 1 28 28 THR N N 28 114.468 114.468 113.232 1.236 19155 4341 1 10 . 1 1 28 28 THR HA H 28 4.649 4.649 4.616 0.033 19155 4342 1 10 . 1 1 28 28 THR CA C 28 60.242 60.242 60.373 -0.131 19155 4343 1 10 . 1 1 28 28 THR CB C 28 71.544 71.544 71.029 0.515 19155 4344 1 10 . 1 1 28 28 THR H H 28 7.725 7.725 8.351 -0.626 19155 4345 1 10 . 1 1 29 29 LYS HA H 29 4.300 4.300 4.249 0.051 19155 4346 1 10 . 1 1 29 29 LYS CA C 29 57.974 57.974 59.215 -1.241 19155 4347 1 10 . 1 1 29 29 LYS CB C 29 32.820 32.820 32.552 0.268 19155 4348 1 10 . 1 1 30 30 LYS HA H 30 4.154 4.154 4.182 -0.028 19155 4349 1 10 . 1 1 30 30 LYS CA C 30 58.725 58.725 57.505 1.220 19155 4350 1 10 . 1 1 31 31 ARG HA H 31 4.533 4.533 4.590 -0.057 19155 4351 1 10 . 1 1 31 31 ARG CA C 31 56.137 56.137 54.257 1.880 19155 4352 1 10 . 1 1 31 31 ARG CB C 31 31.003 31.003 29.512 1.491 19155 4353 1 10 . 1 1 32 32 HIS HA H 32 4.570 4.570 4.205 0.365 19155 4354 1 10 . 1 1 32 32 HIS C C 32 176.136 176.136 176.818 -0.682 19155 4355 1 10 . 1 1 32 32 HIS CA C 32 58.689 58.689 60.536 -1.847 19155 4356 1 10 . 1 1 32 32 HIS CB C 32 30.731 30.731 29.706 1.025 19155 4357 1 10 . 1 1 33 33 THR N N 33 111.162 111.162 116.140 -4.978 19155 4358 1 10 . 1 1 33 33 THR HA H 33 3.976 3.976 3.926 0.050 19155 4359 1 10 . 1 1 33 33 THR C C 33 176.807 176.807 176.682 0.125 19155 4360 1 10 . 1 1 33 33 THR CA C 33 65.194 65.194 66.234 -1.040 19155 4361 1 10 . 1 1 33 33 THR CB C 33 68.428 68.428 68.536 -0.108 19155 4362 1 10 . 1 1 33 33 THR H H 33 8.355 8.355 8.320 0.035 19155 4363 1 10 . 1 1 34 34 ILE N N 34 123.220 123.220 120.675 2.545 19155 4364 1 10 . 1 1 34 34 ILE HA H 34 4.047 4.047 3.903 0.144 19155 4365 1 10 . 1 1 34 34 ILE C C 34 176.944 176.944 177.714 -0.770 19155 4366 1 10 . 1 1 34 34 ILE CA C 34 63.746 63.746 64.286 -0.540 19155 4367 1 10 . 1 1 34 34 ILE CB C 34 37.905 37.905 36.662 1.243 19155 4368 1 10 . 1 1 34 34 ILE H H 34 7.824 7.824 8.405 -0.581 19155 4369 1 10 . 1 1 35 35 THR N N 35 118.694 118.694 117.720 0.974 19155 4370 1 10 . 1 1 35 35 THR HA H 35 4.103 4.103 3.780 0.323 19155 4371 1 10 . 1 1 35 35 THR C C 35 175.385 175.385 176.556 -1.171 19155 4372 1 10 . 1 1 35 35 THR CA C 35 63.339 63.339 65.850 -2.510 19155 4373 1 10 . 1 1 35 35 THR CB C 35 68.428 68.428 68.006 0.422 19155 4374 1 10 . 1 1 35 35 THR H H 35 8.053 8.053 7.418 0.635 19155 4375 1 10 . 1 1 36 36 VAL N N 36 120.252 120.252 121.319 -1.067 19155 4376 1 10 . 1 1 36 36 VAL HA H 36 3.494 3.494 3.677 -0.183 19155 4377 1 10 . 1 1 36 36 VAL C C 36 177.667 177.667 176.610 1.057 19155 4378 1 10 . 1 1 36 36 VAL CA C 36 66.312 66.312 64.370 1.942 19155 4379 1 10 . 1 1 36 36 VAL CB C 36 31.787 31.787 30.990 0.797 19155 4380 1 10 . 1 1 36 36 VAL H H 36 8.148 8.148 8.105 0.043 19155 4381 1 10 . 1 1 37 37 ALA N N 37 121.815 121.815 123.367 -1.552 19155 4382 1 10 . 1 1 37 37 ALA HA H 37 4.168 4.168 3.988 0.180 19155 4383 1 10 . 1 1 37 37 ALA C C 37 180.404 180.404 179.131 1.273 19155 4384 1 10 . 1 1 37 37 ALA CA C 37 55.062 55.062 55.211 -0.149 19155 4385 1 10 . 1 1 37 37 ALA CB C 37 18.114 18.114 18.155 -0.041 19155 4386 1 10 . 1 1 37 37 ALA H H 37 7.526 7.526 7.912 -0.386 19155 4387 1 10 . 1 1 38 38 LEU N N 38 122.124 122.124 119.330 2.794 19155 4388 1 10 . 1 1 38 38 LEU HA H 38 3.574 3.574 3.355 0.219 19155 4389 1 10 . 1 1 38 38 LEU C C 38 177.815 177.815 178.402 -0.587 19155 4390 1 10 . 1 1 38 38 LEU CA C 38 57.671 57.671 57.095 0.576 19155 4391 1 10 . 1 1 38 38 LEU CB C 38 40.383 40.383 41.351 -0.968 19155 4392 1 10 . 1 1 38 38 LEU H H 38 7.987 7.987 7.405 0.582 19155 4393 1 10 . 1 1 39 39 VAL N N 39 119.627 119.627 119.923 -0.296 19155 4394 1 10 . 1 1 39 39 VAL HA H 39 3.295 3.295 3.312 -0.017 19155 4395 1 10 . 1 1 39 39 VAL C C 39 178.084 178.084 177.546 0.538 19155 4396 1 10 . 1 1 39 39 VAL CA C 39 67.710 67.710 67.156 0.554 19155 4397 1 10 . 1 1 39 39 VAL CB C 39 31.393 31.393 31.262 0.132 19155 4398 1 10 . 1 1 39 39 VAL H H 39 8.410 8.410 8.433 -0.023 19155 4399 1 10 . 1 1 40 40 ASN N N 40 117.904 117.904 117.646 0.258 19155 4400 1 10 . 1 1 40 40 ASN HA H 40 4.528 4.528 4.420 0.108 19155 4401 1 10 . 1 1 40 40 ASN C C 40 177.814 177.814 177.341 0.473 19155 4402 1 10 . 1 1 40 40 ASN CA C 40 56.214 56.214 55.952 0.263 19155 4403 1 10 . 1 1 40 40 ASN CB C 40 37.990 37.990 37.957 0.033 19155 4404 1 10 . 1 1 40 40 ASN H H 40 8.211 8.211 8.322 -0.111 19155 4405 1 10 . 1 1 41 41 GLU N N 41 122.117 122.117 120.012 2.105 19155 4406 1 10 . 1 1 41 41 GLU HA H 41 4.330 4.330 4.355 -0.025 19155 4407 1 10 . 1 1 41 41 GLU C C 41 179.186 179.186 178.345 0.841 19155 4408 1 10 . 1 1 41 41 GLU CA C 41 59.444 59.444 57.661 1.783 19155 4409 1 10 . 1 1 41 41 GLU CB C 41 28.935 28.935 29.996 -1.061 19155 4410 1 10 . 1 1 41 41 GLU H H 41 7.895 7.895 7.661 0.234 19155 4411 1 10 . 1 1 42 42 LEU N N 42 118.997 118.997 119.962 -0.965 19155 4412 1 10 . 1 1 42 42 LEU HA H 42 4.036 4.036 3.844 0.192 19155 4413 1 10 . 1 1 42 42 LEU C C 42 179.072 179.072 178.700 0.372 19155 4414 1 10 . 1 1 42 42 LEU CA C 42 58.028 58.028 58.709 -0.681 19155 4415 1 10 . 1 1 42 42 LEU CB C 42 41.053 41.053 41.790 -0.737 19155 4416 1 10 . 1 1 42 42 LEU H H 42 8.915 8.915 8.462 0.453 19155 4417 1 10 . 1 1 43 43 ASN N N 43 117.439 117.439 115.907 1.532 19155 4418 1 10 . 1 1 43 43 ASN HA H 43 4.560 4.560 4.443 0.117 19155 4419 1 10 . 1 1 43 43 ASN C C 43 177.692 177.692 177.150 0.542 19155 4420 1 10 . 1 1 43 43 ASN CA C 43 56.224 56.224 55.794 0.430 19155 4421 1 10 . 1 1 43 43 ASN CB C 43 38.241 38.241 38.132 0.109 19155 4422 1 10 . 1 1 43 43 ASN H H 43 8.436 8.436 8.346 0.090 19155 4423 1 10 . 1 1 44 44 ASN N N 44 121.188 121.188 119.881 1.307 19155 4424 1 10 . 1 1 44 44 ASN HA H 44 4.647 4.647 4.564 0.083 19155 4425 1 10 . 1 1 44 44 ASN C C 44 178.704 178.704 177.287 1.417 19155 4426 1 10 . 1 1 44 44 ASN CA C 44 56.233 56.233 55.682 0.551 19155 4427 1 10 . 1 1 44 44 ASN CB C 44 37.466 37.466 38.468 -1.002 19155 4428 1 10 . 1 1 44 44 ASN H H 44 8.079 8.079 7.780 0.299 19155 4429 1 10 . 1 1 45 45 ILE N N 45 124.315 124.315 120.555 3.760 19155 4430 1 10 . 1 1 45 45 ILE HA H 45 3.985 3.985 3.629 0.356 19155 4431 1 10 . 1 1 45 45 ILE C C 45 177.925 177.925 177.836 0.089 19155 4432 1 10 . 1 1 45 45 ILE CA C 45 65.578 65.578 65.910 -0.332 19155 4433 1 10 . 1 1 45 45 ILE CB C 45 38.903 38.903 37.556 1.347 19155 4434 1 10 . 1 1 45 45 ILE H H 45 8.533 8.533 8.365 0.168 19155 4435 1 10 . 1 1 46 46 LYS N N 46 119.624 119.624 119.885 -0.261 19155 4436 1 10 . 1 1 46 46 LYS HA H 46 3.743 3.743 3.900 -0.157 19155 4437 1 10 . 1 1 46 46 LYS C C 46 177.699 177.699 178.663 -0.964 19155 4438 1 10 . 1 1 46 46 LYS CA C 46 60.161 60.161 60.436 -0.275 19155 4439 1 10 . 1 1 46 46 LYS CB C 46 31.420 31.420 32.288 -0.868 19155 4440 1 10 . 1 1 46 46 LYS H H 46 8.660 8.660 7.772 0.888 19155 4441 1 10 . 1 1 47 47 ASN N N 47 116.034 116.034 118.135 -2.101 19155 4442 1 10 . 1 1 47 47 ASN HA H 47 4.468 4.468 4.406 0.062 19155 4443 1 10 . 1 1 47 47 ASN C C 47 177.768 177.768 177.355 0.413 19155 4444 1 10 . 1 1 47 47 ASN CA C 47 56.538 56.538 56.780 -0.242 19155 4445 1 10 . 1 1 47 47 ASN CB C 47 37.882 37.882 38.333 -0.451 19155 4446 1 10 . 1 1 47 47 ASN H H 47 8.344 8.344 8.417 -0.073 19155 4447 1 10 . 1 1 48 48 GLU N N 48 121.665 121.665 120.613 1.052 19155 4448 1 10 . 1 1 48 48 GLU HA H 48 4.044 4.044 4.076 -0.032 19155 4449 1 10 . 1 1 48 48 GLU C C 48 179.915 179.915 179.087 0.828 19155 4450 1 10 . 1 1 48 48 GLU CA C 48 59.444 59.444 59.309 0.135 19155 4451 1 10 . 1 1 48 48 GLU CB C 48 29.230 29.230 29.949 -0.719 19155 4452 1 10 . 1 1 48 48 GLU H H 48 8.301 8.301 8.068 0.233 19155 4453 1 10 . 1 1 49 49 TYR N N 49 117.600 117.600 119.592 -1.992 19155 4454 1 10 . 1 1 49 49 TYR HA H 49 3.992 3.992 4.260 -0.268 19155 4455 1 10 . 1 1 49 49 TYR C C 49 178.275 178.275 178.369 -0.094 19155 4456 1 10 . 1 1 49 49 TYR CA C 49 64.508 64.508 61.169 3.339 19155 4457 1 10 . 1 1 49 49 TYR CB C 49 37.881 37.881 38.465 -0.584 19155 4458 1 10 . 1 1 49 49 TYR H H 49 8.581 8.581 8.699 -0.118 19155 4459 1 10 . 1 1 50 50 LEU N N 50 122.126 122.126 119.566 2.560 19155 4460 1 10 . 1 1 50 50 LEU HA H 50 4.181 4.181 3.787 0.394 19155 4461 1 10 . 1 1 50 50 LEU C C 50 180.089 180.089 178.617 1.472 19155 4462 1 10 . 1 1 50 50 LEU CA C 50 59.061 59.061 58.484 0.577 19155 4463 1 10 . 1 1 50 50 LEU CB C 50 40.096 40.096 41.479 -1.383 19155 4464 1 10 . 1 1 50 50 LEU H H 50 9.207 9.207 8.813 0.394 19155 4465 1 10 . 1 1 51 51 ASN N N 51 117.124 117.124 117.123 0.001 19155 4466 1 10 . 1 1 51 51 ASN HA H 51 4.535 4.535 4.411 0.124 19155 4467 1 10 . 1 1 51 51 ASN C C 51 177.522 177.522 177.422 0.100 19155 4468 1 10 . 1 1 51 51 ASN CA C 51 56.240 56.240 56.203 0.037 19155 4469 1 10 . 1 1 51 51 ASN CB C 51 37.898 37.898 38.421 -0.523 19155 4470 1 10 . 1 1 51 51 ASN H H 51 7.634 7.634 7.783 -0.149 19155 4471 1 10 . 1 1 52 52 LYS N N 52 119.154 119.154 119.672 -0.518 19155 4472 1 10 . 1 1 52 52 LYS HA H 52 4.037 4.037 4.052 -0.015 19155 4473 1 10 . 1 1 52 52 LYS C C 52 179.905 179.905 178.669 1.236 19155 4474 1 10 . 1 1 52 52 LYS CA C 52 59.803 59.803 58.971 0.832 19155 4475 1 10 . 1 1 52 52 LYS CB C 52 33.215 33.215 32.003 1.212 19155 4476 1 10 . 1 1 52 52 LYS H H 52 7.663 7.663 7.697 -0.034 19155 4477 1 10 . 1 1 53 53 ILE N N 53 121.662 121.662 121.860 -0.198 19155 4478 1 10 . 1 1 53 53 ILE HA H 53 3.532 3.532 3.944 -0.412 19155 4479 1 10 . 1 1 53 53 ILE C C 53 178.489 178.489 178.762 -0.273 19155 4480 1 10 . 1 1 53 53 ILE CA C 53 65.906 65.906 62.727 3.179 19155 4481 1 10 . 1 1 53 53 ILE CB C 53 38.249 38.249 36.962 1.287 19155 4482 1 10 . 1 1 53 53 ILE H H 53 8.493 8.493 7.956 0.537 19155 4483 1 10 . 1 1 54 54 VAL N N 54 119.477 119.477 120.260 -0.783 19155 4484 1 10 . 1 1 54 54 VAL HA H 54 3.647 3.647 3.689 -0.042 19155 4485 1 10 . 1 1 54 54 VAL C C 54 176.683 176.683 176.396 0.287 19155 4486 1 10 . 1 1 54 54 VAL CA C 54 66.643 66.643 65.502 1.141 19155 4487 1 10 . 1 1 54 54 VAL CB C 54 31.448 31.448 32.202 -0.754 19155 4488 1 10 . 1 1 54 54 VAL H H 54 7.598 7.598 7.770 -0.172 19155 4489 1 10 . 1 1 55 55 GLU N N 55 114.467 114.467 117.504 -3.037 19155 4490 1 10 . 1 1 55 55 GLU HA H 55 4.281 4.281 4.366 -0.085 19155 4491 1 10 . 1 1 55 55 GLU C C 55 176.914 176.914 175.739 1.175 19155 4492 1 10 . 1 1 55 55 GLU CA C 55 56.195 56.195 55.171 1.024 19155 4493 1 10 . 1 1 55 55 GLU CB C 55 30.354 30.354 29.551 0.803 19155 4494 1 10 . 1 1 55 55 GLU H H 55 7.064 7.064 7.877 -0.813 19155 4495 1 10 . 1 1 56 56 SER N N 56 116.806 116.806 115.040 1.766 19155 4496 1 10 . 1 1 56 56 SER HA H 56 4.435 4.435 4.322 0.113 19155 4497 1 10 . 1 1 56 56 SER C C 56 175.566 175.566 175.433 0.133 19155 4498 1 10 . 1 1 56 56 SER CA C 56 60.163 60.163 59.773 0.390 19155 4499 1 10 . 1 1 56 56 SER CB C 56 64.439 64.439 63.970 0.469 19155 4500 1 10 . 1 1 56 56 SER H H 56 7.504 7.504 7.553 -0.049 19155 4501 1 10 . 1 1 57 57 THR N N 57 111.347 111.347 115.068 -3.721 19155 4502 1 10 . 1 1 57 57 THR HA H 57 4.539 4.539 4.560 -0.021 19155 4503 1 10 . 1 1 57 57 THR C C 57 174.424 174.424 174.792 -0.368 19155 4504 1 10 . 1 1 57 57 THR CA C 57 61.518 61.518 61.944 -0.426 19155 4505 1 10 . 1 1 57 57 THR CB C 57 70.377 70.377 70.320 0.057 19155 4506 1 10 . 1 1 57 57 THR H H 57 9.083 9.083 9.115 -0.032 19155 4507 1 10 . 1 1 58 58 SER N N 58 115.415 115.415 117.409 -1.994 19155 4508 1 10 . 1 1 58 58 SER HA H 58 5.059 5.059 4.774 0.285 19155 4509 1 10 . 1 1 58 58 SER C C 58 174.278 174.278 173.822 0.456 19155 4510 1 10 . 1 1 58 58 SER CA C 58 56.928 56.928 56.909 0.019 19155 4511 1 10 . 1 1 58 58 SER CB C 58 66.570 66.570 65.756 0.814 19155 4512 1 10 . 1 1 58 58 SER H H 58 7.689 7.689 7.553 0.136 19155 4513 1 10 . 1 1 59 59 GLU N N 59 124.305 124.305 123.996 0.309 19155 4514 1 10 . 1 1 59 59 GLU HA H 59 3.990 3.990 4.041 -0.051 19155 4515 1 10 . 1 1 59 59 GLU C C 59 179.113 179.113 177.892 1.221 19155 4516 1 10 . 1 1 59 59 GLU CA C 59 60.159 60.159 59.219 0.940 19155 4517 1 10 . 1 1 59 59 GLU CB C 59 29.616 29.616 29.309 0.307 19155 4518 1 10 . 1 1 59 59 GLU H H 59 9.719 9.719 8.902 0.817 19155 4519 1 10 . 1 1 60 60 SER N N 60 115.406 115.406 115.630 -0.224 19155 4520 1 10 . 1 1 60 60 SER HA H 60 4.249 4.249 4.177 0.072 19155 4521 1 10 . 1 1 60 60 SER C C 60 177.307 177.307 176.804 0.503 19155 4522 1 10 . 1 1 60 60 SER CA C 60 61.259 61.259 60.541 0.718 19155 4523 1 10 . 1 1 60 60 SER CB C 60 61.960 61.960 62.496 -0.536 19155 4524 1 10 . 1 1 60 60 SER H H 60 8.614 8.614 8.268 0.346 19155 4525 1 10 . 1 1 61 61 GLN N N 61 121.656 121.656 122.312 -0.656 19155 4526 1 10 . 1 1 61 61 GLN HA H 61 4.107 4.107 4.127 -0.020 19155 4527 1 10 . 1 1 61 61 GLN C C 61 178.777 178.777 178.146 0.631 19155 4528 1 10 . 1 1 61 61 GLN CA C 61 58.743 58.743 58.533 0.210 19155 4529 1 10 . 1 1 61 61 GLN CB C 61 28.900 28.900 28.287 0.613 19155 4530 1 10 . 1 1 61 61 GLN H H 61 7.669 7.669 8.314 -0.645 19155 4531 1 10 . 1 1 62 62 LEU N N 62 118.689 118.689 118.346 0.343 19155 4532 1 10 . 1 1 62 62 LEU HA H 62 4.035 4.035 4.041 -0.006 19155 4533 1 10 . 1 1 62 62 LEU C C 62 178.363 178.363 179.343 -0.980 19155 4534 1 10 . 1 1 62 62 LEU CA C 62 58.725 58.725 57.596 1.129 19155 4535 1 10 . 1 1 62 62 LEU CB C 62 41.836 41.836 41.609 0.227 19155 4536 1 10 . 1 1 62 62 LEU H H 62 7.736 7.736 7.762 -0.026 19155 4537 1 10 . 1 1 63 63 GLN N N 63 117.441 117.441 117.213 0.228 19155 4538 1 10 . 1 1 63 63 GLN HA H 63 4.078 4.078 4.055 0.023 19155 4539 1 10 . 1 1 63 63 GLN C C 63 179.312 179.312 178.523 0.789 19155 4540 1 10 . 1 1 63 63 GLN CA C 63 59.062 59.062 58.456 0.606 19155 4541 1 10 . 1 1 63 63 GLN CB C 63 27.819 27.819 28.641 -0.822 19155 4542 1 10 . 1 1 63 63 GLN H H 63 7.943 7.943 7.521 0.422 19155 4543 1 10 . 1 1 64 64 ILE N N 64 120.406 120.406 120.122 0.284 19155 4544 1 10 . 1 1 64 64 ILE HA H 64 3.809 3.809 3.901 -0.092 19155 4545 1 10 . 1 1 64 64 ILE C C 64 178.734 178.734 178.229 0.505 19155 4546 1 10 . 1 1 64 64 ILE CA C 64 64.722 64.722 62.198 2.524 19155 4547 1 10 . 1 1 64 64 ILE CB C 64 37.971 37.971 36.660 1.311 19155 4548 1 10 . 1 1 64 64 ILE H H 64 7.544 7.544 7.691 -0.147 19155 4549 1 10 . 1 1 65 65 LEU N N 65 120.247 120.247 120.914 -0.667 19155 4550 1 10 . 1 1 65 65 LEU HA H 65 4.212 4.212 4.027 0.185 19155 4551 1 10 . 1 1 65 65 LEU C C 65 179.685 179.685 179.446 0.239 19155 4552 1 10 . 1 1 65 65 LEU CA C 65 58.004 58.004 58.651 -0.647 19155 4553 1 10 . 1 1 65 65 LEU CB C 65 42.553 42.553 40.656 1.897 19155 4554 1 10 . 1 1 65 65 LEU H H 65 8.361 8.361 8.512 -0.151 19155 4555 1 10 . 1 1 66 66 MET N N 66 118.685 118.685 117.309 1.376 19155 4556 1 10 . 1 1 66 66 MET HA H 66 3.918 3.918 4.060 -0.142 19155 4557 1 10 . 1 1 66 66 MET C C 66 178.906 178.906 178.651 0.255 19155 4558 1 10 . 1 1 66 66 MET CA C 66 59.467 59.467 59.386 0.081 19155 4559 1 10 . 1 1 66 66 MET CB C 66 33.519 33.519 32.454 1.065 19155 4560 1 10 . 1 1 66 66 MET H H 66 8.458 8.458 7.575 0.883 19155 4561 1 10 . 1 1 67 67 MET N N 67 118.685 118.685 118.587 0.098 19155 4562 1 10 . 1 1 67 67 MET HA H 67 4.098 4.098 4.065 0.033 19155 4563 1 10 . 1 1 67 67 MET C C 67 178.781 178.781 178.588 0.193 19155 4564 1 10 . 1 1 67 67 MET CA C 67 58.379 58.379 58.672 -0.293 19155 4565 1 10 . 1 1 67 67 MET CB C 67 32.031 32.031 31.694 0.337 19155 4566 1 10 . 1 1 67 67 MET H H 67 7.559 7.559 7.710 -0.151 19155 4567 1 10 . 1 1 68 68 GLU N N 68 122.128 122.128 119.651 2.477 19155 4568 1 10 . 1 1 68 68 GLU HA H 68 3.990 3.990 4.052 -0.062 19155 4569 1 10 . 1 1 68 68 GLU C C 68 178.803 178.803 179.277 -0.474 19155 4570 1 10 . 1 1 68 68 GLU CA C 68 59.459 59.459 59.502 -0.043 19155 4571 1 10 . 1 1 68 68 GLU CB C 68 30.706 30.706 29.159 1.547 19155 4572 1 10 . 1 1 68 68 GLU H H 68 8.895 8.895 8.744 0.151 19155 4573 1 10 . 1 1 69 69 SER N N 69 114.769 114.769 115.717 -0.948 19155 4574 1 10 . 1 1 69 69 SER HA H 69 2.872 2.872 3.671 -0.799 19155 4575 1 10 . 1 1 69 69 SER C C 69 175.801 175.801 176.559 -0.758 19155 4576 1 10 . 1 1 69 69 SER CA C 69 62.000 62.000 60.955 1.045 19155 4577 1 10 . 1 1 69 69 SER CB C 69 62.282 62.282 62.792 -0.510 19155 4578 1 10 . 1 1 69 69 SER H H 69 8.161 8.161 8.246 -0.085 19155 4579 1 10 . 1 1 70 70 ARG N N 70 120.552 120.552 121.353 -0.801 19155 4580 1 10 . 1 1 70 70 ARG HA H 70 3.744 3.744 3.682 0.062 19155 4581 1 10 . 1 1 70 70 ARG C C 70 177.654 177.654 178.630 -0.976 19155 4582 1 10 . 1 1 70 70 ARG CA C 70 59.793 59.793 59.403 0.390 19155 4583 1 10 . 1 1 70 70 ARG CB C 70 29.974 29.974 29.608 0.366 19155 4584 1 10 . 1 1 70 70 ARG H H 70 6.945 6.945 8.266 -1.321 19155 4585 1 10 . 1 1 71 71 SER N N 71 113.064 113.064 114.385 -1.321 19155 4586 1 10 . 1 1 71 71 SER HA H 71 4.275 4.275 4.204 0.071 19155 4587 1 10 . 1 1 71 71 SER C C 71 177.491 177.491 176.411 1.080 19155 4588 1 10 . 1 1 71 71 SER CA C 71 61.571 61.571 61.552 0.019 19155 4589 1 10 . 1 1 71 71 SER CB C 71 62.710 62.710 62.842 -0.132 19155 4590 1 10 . 1 1 71 71 SER H H 71 7.721 7.721 8.340 -0.619 19155 4591 1 10 . 1 1 72 72 LYS N N 72 121.657 121.657 121.879 -0.222 19155 4592 1 10 . 1 1 72 72 LYS HA H 72 4.170 4.170 4.010 0.160 19155 4593 1 10 . 1 1 72 72 LYS C C 72 180.429 180.429 179.105 1.324 19155 4594 1 10 . 1 1 72 72 LYS CA C 72 58.725 58.725 59.408 -0.683 19155 4595 1 10 . 1 1 72 72 LYS CB C 72 32.131 32.131 32.255 -0.124 19155 4596 1 10 . 1 1 72 72 LYS H H 72 8.414 8.414 8.005 0.409 19155 4597 1 10 . 1 1 73 73 VAL N N 73 123.222 123.222 120.204 3.018 19155 4598 1 10 . 1 1 73 73 VAL HA H 73 3.598 3.598 3.675 -0.077 19155 4599 1 10 . 1 1 73 73 VAL C C 73 176.929 176.929 177.629 -0.700 19155 4600 1 10 . 1 1 73 73 VAL CA C 73 66.975 66.975 66.548 0.427 19155 4601 1 10 . 1 1 73 73 VAL CB C 73 31.704 31.704 31.455 0.249 19155 4602 1 10 . 1 1 73 73 VAL H H 73 8.421 8.421 8.404 0.017 19155 4603 1 10 . 1 1 74 74 ASP N N 74 120.101 120.101 120.577 -0.476 19155 4604 1 10 . 1 1 74 74 ASP HA H 74 4.393 4.393 4.347 0.046 19155 4605 1 10 . 1 1 74 74 ASP C C 74 180.001 180.001 178.694 1.307 19155 4606 1 10 . 1 1 74 74 ASP CA C 74 57.324 57.324 58.245 -0.921 19155 4607 1 10 . 1 1 74 74 ASP CB C 74 39.326 39.326 40.523 -1.197 19155 4608 1 10 . 1 1 74 74 ASP H H 74 8.674 8.674 8.504 0.171 19155 4609 1 10 . 1 1 75 75 GLU N N 75 121.349 121.349 121.040 0.309 19155 4610 1 10 . 1 1 75 75 GLU HA H 75 4.113 4.113 4.022 0.091 19155 4611 1 10 . 1 1 75 75 GLU C C 75 178.732 178.732 178.711 0.021 19155 4612 1 10 . 1 1 75 75 GLU CA C 75 59.083 59.083 59.290 -0.207 19155 4613 1 10 . 1 1 75 75 GLU CB C 75 29.975 29.975 29.802 0.173 19155 4614 1 10 . 1 1 75 75 GLU H H 75 8.475 8.475 8.164 0.311 19155 4615 1 10 . 1 1 76 76 ALA N N 76 124.160 124.160 122.614 1.546 19155 4616 1 10 . 1 1 76 76 ALA HA H 76 4.281 4.281 4.122 0.159 19155 4617 1 10 . 1 1 76 76 ALA C C 76 179.906 179.906 179.982 -0.076 19155 4618 1 10 . 1 1 76 76 ALA CA C 76 55.530 55.530 55.314 0.216 19155 4619 1 10 . 1 1 76 76 ALA CB C 76 17.424 17.424 18.630 -1.206 19155 4620 1 10 . 1 1 76 76 ALA H H 76 7.944 7.944 7.976 -0.032 19155 4621 1 10 . 1 1 77 77 VAL N N 77 117.439 117.439 118.572 -1.133 19155 4622 1 10 . 1 1 77 77 VAL HA H 77 3.644 3.644 3.612 0.032 19155 4623 1 10 . 1 1 77 77 VAL C C 77 178.784 178.784 177.984 0.800 19155 4624 1 10 . 1 1 77 77 VAL CA C 77 66.958 66.958 66.554 0.404 19155 4625 1 10 . 1 1 77 77 VAL CB C 77 31.807 31.807 31.321 0.486 19155 4626 1 10 . 1 1 77 77 VAL H H 77 8.204 8.204 8.357 -0.153 19155 4627 1 10 . 1 1 78 78 SER N N 78 113.687 113.687 115.191 -1.504 19155 4628 1 10 . 1 1 78 78 SER HA H 78 4.266 4.266 4.069 0.197 19155 4629 1 10 . 1 1 78 78 SER C C 78 176.762 176.762 176.874 -0.112 19155 4630 1 10 . 1 1 78 78 SER CA C 78 61.241 61.241 61.669 -0.428 19155 4631 1 10 . 1 1 78 78 SER CB C 78 62.678 62.678 63.048 -0.370 19155 4632 1 10 . 1 1 78 78 SER H H 78 7.935 7.935 8.426 -0.491 19155 4633 1 10 . 1 1 79 79 LYS N N 79 121.029 121.029 120.108 0.921 19155 4634 1 10 . 1 1 79 79 LYS HA H 79 4.070 4.070 4.076 -0.006 19155 4635 1 10 . 1 1 79 79 LYS C C 79 178.135 178.135 177.000 1.135 19155 4636 1 10 . 1 1 79 79 LYS CA C 79 58.723 58.723 57.843 0.880 19155 4637 1 10 . 1 1 79 79 LYS CB C 79 32.489 32.489 32.509 -0.020 19155 4638 1 10 . 1 1 79 79 LYS H H 79 7.989 7.989 8.036 -0.047 19155 4639 1 10 . 1 1 80 80 PHE N N 80 117.437 117.437 117.703 -0.266 19155 4640 1 10 . 1 1 80 80 PHE HA H 80 4.490 4.490 4.673 -0.183 19155 4641 1 10 . 1 1 80 80 PHE C C 80 176.236 176.236 176.829 -0.593 19155 4642 1 10 . 1 1 80 80 PHE CA C 80 59.444 59.444 58.583 0.861 19155 4643 1 10 . 1 1 80 80 PHE CB C 80 40.032 40.032 40.765 -0.733 19155 4644 1 10 . 1 1 80 80 PHE H H 80 7.838 7.838 7.718 0.120 19155 4645 1 10 . 1 1 81 81 GLU N N 81 120.092 120.092 119.688 0.404 19155 4646 1 10 . 1 1 81 81 GLU HA H 81 4.290 4.290 4.187 0.103 19155 4647 1 10 . 1 1 81 81 GLU C C 81 175.715 175.715 176.438 -0.723 19155 4648 1 10 . 1 1 81 81 GLU CA C 81 56.928 56.928 58.677 -1.749 19155 4649 1 10 . 1 1 81 81 GLU CB C 81 29.997 29.997 30.117 -0.120 19155 4650 1 10 . 1 1 81 81 GLU H H 81 7.864 7.864 8.365 -0.501 19155 4651 1 11 . 1 1 2 2 ASP N N 2 119.961 119.961 120.566 -0.605 19155 4652 1 11 . 1 1 2 2 ASP HA H 2 4.440 4.440 4.247 0.193 19155 4653 1 11 . 1 1 2 2 ASP C C 2 178.594 178.594 177.955 0.639 19155 4654 1 11 . 1 1 2 2 ASP CA C 2 57.997 57.997 57.273 0.725 19155 4655 1 11 . 1 1 2 2 ASP CB C 2 40.098 40.098 39.563 0.535 19155 4656 1 11 . 1 1 2 2 ASP H H 2 8.260 8.260 8.608 -0.348 19155 4657 1 11 . 1 1 3 3 SER N N 3 115.401 115.401 113.454 1.947 19155 4658 1 11 . 1 1 3 3 SER HA H 3 4.358 4.358 4.084 0.274 19155 4659 1 11 . 1 1 3 3 SER C C 3 177.657 177.657 176.649 1.008 19155 4660 1 11 . 1 1 3 3 SER CA C 3 60.656 60.656 60.822 -0.166 19155 4661 1 11 . 1 1 3 3 SER CB C 3 62.319 62.319 62.895 -0.576 19155 4662 1 11 . 1 1 3 3 SER H H 3 8.112 8.112 8.244 -0.132 19155 4663 1 11 . 1 1 4 4 GLU N N 4 122.287 122.287 123.684 -1.397 19155 4664 1 11 . 1 1 4 4 GLU HA H 4 4.045 4.045 4.114 -0.069 19155 4665 1 11 . 1 1 4 4 GLU C C 4 180.035 180.035 178.337 1.698 19155 4666 1 11 . 1 1 4 4 GLU CA C 4 59.072 59.072 58.794 0.278 19155 4667 1 11 . 1 1 4 4 GLU CB C 4 28.538 28.538 29.468 -0.930 19155 4668 1 11 . 1 1 4 4 GLU H H 4 8.472 8.472 8.325 0.147 19155 4669 1 11 . 1 1 5 5 ARG N N 5 121.026 121.026 117.633 3.393 19155 4670 1 11 . 1 1 5 5 ARG HA H 5 3.894 3.894 4.094 -0.200 19155 4671 1 11 . 1 1 5 5 ARG C C 5 178.298 178.298 178.534 -0.236 19155 4672 1 11 . 1 1 5 5 ARG CA C 5 60.564 60.564 59.075 1.489 19155 4673 1 11 . 1 1 5 5 ARG CB C 5 30.681 30.681 29.581 1.100 19155 4674 1 11 . 1 1 5 5 ARG H H 5 8.771 8.771 8.317 0.454 19155 4675 1 11 . 1 1 6 6 ASP N N 6 119.775 119.775 120.898 -1.123 19155 4676 1 11 . 1 1 6 6 ASP HA H 6 4.455 4.455 4.466 -0.011 19155 4677 1 11 . 1 1 6 6 ASP C C 6 178.676 178.676 177.739 0.937 19155 4678 1 11 . 1 1 6 6 ASP CA C 6 57.956 57.956 57.671 0.285 19155 4679 1 11 . 1 1 6 6 ASP CB C 6 40.774 40.774 41.285 -0.511 19155 4680 1 11 . 1 1 6 6 ASP H H 6 7.889 7.889 7.977 -0.088 19155 4681 1 11 . 1 1 7 7 LYS N N 7 119.937 119.937 119.158 0.779 19155 4682 1 11 . 1 1 7 7 LYS HA H 7 4.014 4.014 3.951 0.063 19155 4683 1 11 . 1 1 7 7 LYS C C 7 178.977 178.977 179.144 -0.167 19155 4684 1 11 . 1 1 7 7 LYS CA C 7 59.793 59.793 59.450 0.343 19155 4685 1 11 . 1 1 7 7 LYS CB C 7 32.850 32.850 31.968 0.882 19155 4686 1 11 . 1 1 7 7 LYS H H 7 7.950 7.950 7.916 0.034 19155 4687 1 11 . 1 1 8 8 ALA N N 8 122.436 122.436 122.525 -0.089 19155 4688 1 11 . 1 1 8 8 ALA HA H 8 4.478 4.478 4.098 0.380 19155 4689 1 11 . 1 1 8 8 ALA C C 8 178.764 178.764 179.295 -0.531 19155 4690 1 11 . 1 1 8 8 ALA CA C 8 55.168 55.168 55.020 0.148 19155 4691 1 11 . 1 1 8 8 ALA CB C 8 19.502 19.502 18.594 0.908 19155 4692 1 11 . 1 1 8 8 ALA H H 8 7.976 7.976 8.573 -0.597 19155 4693 1 11 . 1 1 9 9 ARG N N 9 118.059 118.059 116.823 1.236 19155 4694 1 11 . 1 1 9 9 ARG HA H 9 3.801 3.801 4.059 -0.258 19155 4695 1 11 . 1 1 9 9 ARG C C 9 177.874 177.874 178.531 -0.657 19155 4696 1 11 . 1 1 9 9 ARG CA C 9 59.794 59.794 58.767 1.028 19155 4697 1 11 . 1 1 9 9 ARG CB C 9 29.989 29.989 29.916 0.073 19155 4698 1 11 . 1 1 9 9 ARG H H 9 8.489 8.489 7.783 0.706 19155 4699 1 11 . 1 1 10 10 LYS N N 10 118.064 118.064 119.417 -1.353 19155 4700 1 11 . 1 1 10 10 LYS HA H 10 4.138 4.138 4.114 0.024 19155 4701 1 11 . 1 1 10 10 LYS C C 10 178.619 178.619 178.913 -0.294 19155 4702 1 11 . 1 1 10 10 LYS CA C 10 59.421 59.421 58.697 0.724 19155 4703 1 11 . 1 1 10 10 LYS CB C 10 32.467 32.467 31.780 0.687 19155 4704 1 11 . 1 1 10 10 LYS H H 10 7.833 7.833 8.413 -0.580 19155 4705 1 11 . 1 1 11 11 GLU N N 11 118.845 118.845 119.866 -1.021 19155 4706 1 11 . 1 1 11 11 GLU HA H 11 4.107 4.107 4.102 0.005 19155 4707 1 11 . 1 1 11 11 GLU C C 11 180.137 180.137 178.881 1.256 19155 4708 1 11 . 1 1 11 11 GLU CA C 11 59.803 59.803 59.409 0.394 19155 4709 1 11 . 1 1 11 11 GLU CB C 11 29.248 29.248 29.216 0.032 19155 4710 1 11 . 1 1 11 11 GLU H H 11 7.991 7.991 8.030 -0.039 19155 4711 1 11 . 1 1 12 12 VAL N N 12 120.562 120.562 115.377 5.185 19155 4712 1 11 . 1 1 12 12 VAL HA H 12 3.851 3.851 3.876 -0.025 19155 4713 1 11 . 1 1 12 12 VAL C C 12 178.182 178.182 177.794 0.388 19155 4714 1 11 . 1 1 12 12 VAL CA C 12 66.625 66.625 65.828 0.797 19155 4715 1 11 . 1 1 12 12 VAL CB C 12 31.784 31.784 31.356 0.428 19155 4716 1 11 . 1 1 12 12 VAL H H 12 8.173 8.173 7.451 0.722 19155 4717 1 11 . 1 1 13 13 GLU N N 13 117.912 117.912 121.906 -3.994 19155 4718 1 11 . 1 1 13 13 GLU HA H 13 3.841 3.841 3.965 -0.124 19155 4719 1 11 . 1 1 13 13 GLU C C 13 179.959 179.959 178.963 0.996 19155 4720 1 11 . 1 1 13 13 GLU CA C 13 60.498 60.498 60.207 0.291 19155 4721 1 11 . 1 1 13 13 GLU CB C 13 30.014 30.014 29.358 0.656 19155 4722 1 11 . 1 1 13 13 GLU H H 13 8.624 8.624 7.735 0.889 19155 4723 1 11 . 1 1 14 14 GLU N N 14 117.909 117.909 120.441 -2.532 19155 4724 1 11 . 1 1 14 14 GLU HA H 14 4.025 4.025 4.012 0.013 19155 4725 1 11 . 1 1 14 14 GLU C C 14 179.020 179.020 178.972 0.048 19155 4726 1 11 . 1 1 14 14 GLU CA C 14 59.442 59.442 59.478 -0.036 19155 4727 1 11 . 1 1 14 14 GLU CB C 14 29.257 29.257 29.650 -0.393 19155 4728 1 11 . 1 1 14 14 GLU H H 14 8.904 8.904 8.536 0.368 19155 4729 1 11 . 1 1 15 15 TYR N N 15 122.592 122.592 120.613 1.979 19155 4730 1 11 . 1 1 15 15 TYR HA H 15 4.359 4.359 4.181 0.178 19155 4731 1 11 . 1 1 15 15 TYR C C 15 177.581 177.581 177.672 -0.091 19155 4732 1 11 . 1 1 15 15 TYR CA C 15 62.430 62.430 61.324 1.106 19155 4733 1 11 . 1 1 15 15 TYR CB C 15 38.541 38.541 38.579 -0.038 19155 4734 1 11 . 1 1 15 15 TYR H H 15 8.170 8.170 8.315 -0.145 19155 4735 1 11 . 1 1 16 16 VAL N N 16 116.497 116.497 119.162 -2.665 19155 4736 1 11 . 1 1 16 16 VAL HA H 16 3.386 3.386 3.383 0.003 19155 4737 1 11 . 1 1 16 16 VAL C C 16 177.221 177.221 178.115 -0.894 19155 4738 1 11 . 1 1 16 16 VAL CA C 16 68.053 68.053 67.028 1.025 19155 4739 1 11 . 1 1 16 16 VAL CB C 16 31.427 31.427 31.184 0.243 19155 4740 1 11 . 1 1 16 16 VAL H H 16 7.953 7.953 7.927 0.026 19155 4741 1 11 . 1 1 17 17 LYS N N 17 118.530 118.530 119.246 -0.716 19155 4742 1 11 . 1 1 17 17 LYS HA H 17 3.922 3.922 3.945 -0.023 19155 4743 1 11 . 1 1 17 17 LYS C C 17 179.742 179.742 178.800 0.942 19155 4744 1 11 . 1 1 17 17 LYS CA C 17 60.145 60.145 59.976 0.169 19155 4745 1 11 . 1 1 17 17 LYS CB C 17 32.827 32.827 32.097 0.730 19155 4746 1 11 . 1 1 17 17 LYS H H 17 8.274 8.274 8.195 0.079 19155 4747 1 11 . 1 1 18 18 LYS N N 18 121.031 121.031 120.825 0.206 19155 4748 1 11 . 1 1 18 18 LYS HA H 18 4.018 4.018 4.011 0.007 19155 4749 1 11 . 1 1 18 18 LYS C C 18 178.962 178.962 178.835 0.127 19155 4750 1 11 . 1 1 18 18 LYS CA C 18 59.085 59.085 59.484 -0.399 19155 4751 1 11 . 1 1 18 18 LYS CB C 18 32.132 32.132 32.424 -0.292 19155 4752 1 11 . 1 1 18 18 LYS H H 18 7.946 7.946 8.020 -0.074 19155 4753 1 11 . 1 1 19 19 ILE N N 19 120.718 120.718 119.344 1.374 19155 4754 1 11 . 1 1 19 19 ILE HA H 19 3.727 3.727 3.780 -0.053 19155 4755 1 11 . 1 1 19 19 ILE C C 19 172.120 172.120 178.526 -6.406 19155 4756 1 11 . 1 1 19 19 ILE CA C 19 62.128 62.128 63.637 -1.509 19155 4757 1 11 . 1 1 19 19 ILE CB C 19 35.988 35.988 37.013 -1.025 19155 4758 1 11 . 1 1 19 19 ILE H H 19 7.796 7.796 7.948 -0.152 19155 4759 1 11 . 1 1 20 20 VAL N N 20 124.792 124.792 120.928 3.864 19155 4760 1 11 . 1 1 20 20 VAL HA H 20 3.312 3.312 3.422 -0.110 19155 4761 1 11 . 1 1 20 20 VAL C C 20 177.873 177.873 178.180 -0.307 19155 4762 1 11 . 1 1 20 20 VAL CA C 20 67.738 67.738 66.958 0.780 19155 4763 1 11 . 1 1 20 20 VAL CB C 20 31.772 31.772 31.371 0.401 19155 4764 1 11 . 1 1 20 20 VAL H H 20 9.190 9.190 8.634 0.556 19155 4765 1 11 . 1 1 21 21 GLY N N 21 106.034 106.034 106.702 -0.668 19155 4766 1 11 . 1 1 21 21 GLY C C 21 177.470 177.470 176.014 1.456 19155 4767 1 11 . 1 1 21 21 GLY CA C 21 47.226 47.226 47.147 0.079 19155 4768 1 11 . 1 1 21 21 GLY H H 21 8.117 8.117 7.744 0.373 19155 4769 1 11 . 1 1 22 22 GLU N N 22 122.282 122.282 121.514 0.768 19155 4770 1 11 . 1 1 22 22 GLU HA H 22 4.104 4.104 4.011 0.093 19155 4771 1 11 . 1 1 22 22 GLU C C 22 178.827 178.827 178.718 0.109 19155 4772 1 11 . 1 1 22 22 GLU CA C 22 59.016 59.016 59.189 -0.173 19155 4773 1 11 . 1 1 22 22 GLU CB C 22 29.619 29.619 29.510 0.109 19155 4774 1 11 . 1 1 22 22 GLU H H 22 8.197 8.197 8.279 -0.082 19155 4775 1 11 . 1 1 23 23 SER N N 23 116.812 116.812 115.575 1.237 19155 4776 1 11 . 1 1 23 23 SER HA H 23 4.201 4.201 4.119 0.082 19155 4777 1 11 . 1 1 23 23 SER C C 23 177.084 177.084 176.614 0.470 19155 4778 1 11 . 1 1 23 23 SER CA C 23 61.998 61.998 61.095 0.903 19155 4779 1 11 . 1 1 23 23 SER CB C 23 62.105 62.105 62.836 -0.731 19155 4780 1 11 . 1 1 23 23 SER H H 23 8.285 8.285 8.406 -0.121 19155 4781 1 11 . 1 1 24 24 TYR N N 24 120.879 120.879 121.464 -0.585 19155 4782 1 11 . 1 1 24 24 TYR HA H 24 4.396 4.396 4.551 -0.155 19155 4783 1 11 . 1 1 24 24 TYR C C 24 178.846 178.846 178.540 0.306 19155 4784 1 11 . 1 1 24 24 TYR CA C 24 61.189 61.189 60.808 0.381 19155 4785 1 11 . 1 1 24 24 TYR CB C 24 37.866 37.866 38.245 -0.379 19155 4786 1 11 . 1 1 24 24 TYR H H 24 8.254 8.254 7.629 0.625 19155 4787 1 11 . 1 1 25 25 ALA N N 25 122.124 122.124 121.783 0.341 19155 4788 1 11 . 1 1 25 25 ALA HA H 25 4.251 4.251 4.117 0.134 19155 4789 1 11 . 1 1 25 25 ALA C C 25 178.999 178.999 178.510 0.489 19155 4790 1 11 . 1 1 25 25 ALA CA C 25 54.608 54.608 54.693 -0.085 19155 4791 1 11 . 1 1 25 25 ALA CB C 25 18.108 18.108 18.620 -0.512 19155 4792 1 11 . 1 1 25 25 ALA H H 25 8.018 8.018 8.024 -0.006 19155 4793 1 11 . 1 1 26 26 LYS N N 26 115.251 115.251 117.221 -1.970 19155 4794 1 11 . 1 1 26 26 LYS HA H 26 4.459 4.459 4.227 0.232 19155 4795 1 11 . 1 1 26 26 LYS C C 26 176.598 176.598 177.110 -0.512 19155 4796 1 11 . 1 1 26 26 LYS CA C 26 56.209 56.209 57.288 -1.079 19155 4797 1 11 . 1 1 26 26 LYS CB C 26 33.191 33.191 32.823 0.368 19155 4798 1 11 . 1 1 26 26 LYS H H 26 7.533 7.533 8.050 -0.517 19155 4799 1 11 . 1 1 27 27 SER N N 27 115.400 115.400 115.927 -0.527 19155 4800 1 11 . 1 1 27 27 SER HA H 27 4.332 4.332 4.503 -0.171 19155 4801 1 11 . 1 1 27 27 SER C C 27 174.768 174.768 173.812 0.956 19155 4802 1 11 . 1 1 27 27 SER CA C 27 58.808 58.808 57.770 1.038 19155 4803 1 11 . 1 1 27 27 SER CB C 27 63.397 63.397 64.862 -1.464 19155 4804 1 11 . 1 1 27 27 SER H H 27 7.570 7.570 7.627 -0.057 19155 4805 1 11 . 1 1 28 28 THR N N 28 114.468 114.468 113.397 1.071 19155 4806 1 11 . 1 1 28 28 THR HA H 28 4.649 4.649 4.563 0.086 19155 4807 1 11 . 1 1 28 28 THR CA C 28 60.242 60.242 61.309 -1.067 19155 4808 1 11 . 1 1 28 28 THR CB C 28 71.544 71.544 72.070 -0.526 19155 4809 1 11 . 1 1 28 28 THR H H 28 7.725 7.725 8.066 -0.341 19155 4810 1 11 . 1 1 29 29 LYS HA H 29 4.300 4.300 3.098 1.202 19155 4811 1 11 . 1 1 29 29 LYS CA C 29 57.974 57.974 59.499 -1.525 19155 4812 1 11 . 1 1 29 29 LYS CB C 29 32.820 32.820 32.295 0.525 19155 4813 1 11 . 1 1 30 30 LYS HA H 30 4.154 4.154 4.073 0.081 19155 4814 1 11 . 1 1 30 30 LYS CA C 30 58.725 58.725 57.976 0.749 19155 4815 1 11 . 1 1 31 31 ARG HA H 31 4.533 4.533 4.507 0.026 19155 4816 1 11 . 1 1 31 31 ARG CA C 31 56.137 56.137 55.367 0.770 19155 4817 1 11 . 1 1 31 31 ARG CB C 31 31.003 31.003 30.589 0.414 19155 4818 1 11 . 1 1 32 32 HIS HA H 32 4.570 4.570 4.296 0.274 19155 4819 1 11 . 1 1 32 32 HIS C C 32 176.136 176.136 177.036 -0.900 19155 4820 1 11 . 1 1 32 32 HIS CA C 32 58.689 58.689 60.004 -1.315 19155 4821 1 11 . 1 1 32 32 HIS CB C 32 30.731 30.731 29.803 0.928 19155 4822 1 11 . 1 1 33 33 THR N N 33 111.162 111.162 115.825 -4.663 19155 4823 1 11 . 1 1 33 33 THR HA H 33 3.976 3.976 4.037 -0.061 19155 4824 1 11 . 1 1 33 33 THR C C 33 176.807 176.807 176.686 0.121 19155 4825 1 11 . 1 1 33 33 THR CA C 33 65.194 65.194 66.496 -1.302 19155 4826 1 11 . 1 1 33 33 THR CB C 33 68.428 68.428 68.278 0.150 19155 4827 1 11 . 1 1 33 33 THR H H 33 8.355 8.355 8.432 -0.077 19155 4828 1 11 . 1 1 34 34 ILE N N 34 123.220 123.220 120.405 2.815 19155 4829 1 11 . 1 1 34 34 ILE HA H 34 4.047 4.047 3.890 0.157 19155 4830 1 11 . 1 1 34 34 ILE C C 34 176.944 176.944 177.656 -0.712 19155 4831 1 11 . 1 1 34 34 ILE CA C 34 63.746 63.746 64.424 -0.679 19155 4832 1 11 . 1 1 34 34 ILE CB C 34 37.905 37.905 36.611 1.294 19155 4833 1 11 . 1 1 34 34 ILE H H 34 7.824 7.824 8.035 -0.211 19155 4834 1 11 . 1 1 35 35 THR N N 35 118.694 118.694 117.884 0.810 19155 4835 1 11 . 1 1 35 35 THR HA H 35 4.103 4.103 3.894 0.209 19155 4836 1 11 . 1 1 35 35 THR C C 35 175.385 175.385 176.854 -1.469 19155 4837 1 11 . 1 1 35 35 THR CA C 35 63.339 63.339 66.686 -3.347 19155 4838 1 11 . 1 1 35 35 THR CB C 35 68.428 68.428 68.649 -0.221 19155 4839 1 11 . 1 1 35 35 THR H H 35 8.053 8.053 7.952 0.101 19155 4840 1 11 . 1 1 36 36 VAL N N 36 120.252 120.252 121.234 -0.982 19155 4841 1 11 . 1 1 36 36 VAL HA H 36 3.494 3.494 3.540 -0.046 19155 4842 1 11 . 1 1 36 36 VAL C C 36 177.667 177.667 177.512 0.155 19155 4843 1 11 . 1 1 36 36 VAL CA C 36 66.312 66.312 66.923 -0.611 19155 4844 1 11 . 1 1 36 36 VAL CB C 36 31.787 31.787 31.167 0.620 19155 4845 1 11 . 1 1 36 36 VAL H H 36 8.148 8.148 8.373 -0.225 19155 4846 1 11 . 1 1 37 37 ALA N N 37 121.815 121.815 122.671 -0.856 19155 4847 1 11 . 1 1 37 37 ALA HA H 37 4.168 4.168 4.091 0.077 19155 4848 1 11 . 1 1 37 37 ALA C C 37 180.404 180.404 179.330 1.074 19155 4849 1 11 . 1 1 37 37 ALA CA C 37 55.062 55.062 55.251 -0.189 19155 4850 1 11 . 1 1 37 37 ALA CB C 37 18.114 18.114 18.438 -0.324 19155 4851 1 11 . 1 1 37 37 ALA H H 37 7.526 7.526 8.058 -0.532 19155 4852 1 11 . 1 1 38 38 LEU N N 38 122.124 122.124 119.618 2.506 19155 4853 1 11 . 1 1 38 38 LEU HA H 38 3.574 3.574 3.189 0.385 19155 4854 1 11 . 1 1 38 38 LEU C C 38 177.815 177.815 178.458 -0.643 19155 4855 1 11 . 1 1 38 38 LEU CA C 38 57.671 57.671 57.052 0.619 19155 4856 1 11 . 1 1 38 38 LEU CB C 38 40.383 40.383 41.294 -0.911 19155 4857 1 11 . 1 1 38 38 LEU H H 38 7.987 7.987 7.749 0.238 19155 4858 1 11 . 1 1 39 39 VAL N N 39 119.627 119.627 119.259 0.368 19155 4859 1 11 . 1 1 39 39 VAL HA H 39 3.295 3.295 3.397 -0.102 19155 4860 1 11 . 1 1 39 39 VAL C C 39 178.084 178.084 177.834 0.250 19155 4861 1 11 . 1 1 39 39 VAL CA C 39 67.710 67.710 66.783 0.927 19155 4862 1 11 . 1 1 39 39 VAL CB C 39 31.393 31.393 30.519 0.874 19155 4863 1 11 . 1 1 39 39 VAL H H 39 8.410 8.410 8.552 -0.142 19155 4864 1 11 . 1 1 40 40 ASN N N 40 117.904 117.904 118.369 -0.465 19155 4865 1 11 . 1 1 40 40 ASN HA H 40 4.528 4.528 4.360 0.168 19155 4866 1 11 . 1 1 40 40 ASN C C 40 177.814 177.814 177.654 0.160 19155 4867 1 11 . 1 1 40 40 ASN CA C 40 56.214 56.214 56.850 -0.636 19155 4868 1 11 . 1 1 40 40 ASN CB C 40 37.990 37.990 38.387 -0.397 19155 4869 1 11 . 1 1 40 40 ASN H H 40 8.211 8.211 7.999 0.212 19155 4870 1 11 . 1 1 41 41 GLU N N 41 122.117 122.117 121.417 0.700 19155 4871 1 11 . 1 1 41 41 GLU HA H 41 4.330 4.330 4.061 0.269 19155 4872 1 11 . 1 1 41 41 GLU C C 41 179.186 179.186 178.795 0.391 19155 4873 1 11 . 1 1 41 41 GLU CA C 41 59.444 59.444 59.316 0.129 19155 4874 1 11 . 1 1 41 41 GLU CB C 41 28.935 28.935 29.614 -0.679 19155 4875 1 11 . 1 1 41 41 GLU H H 41 7.895 7.895 7.736 0.159 19155 4876 1 11 . 1 1 42 42 LEU N N 42 118.997 118.997 119.384 -0.387 19155 4877 1 11 . 1 1 42 42 LEU HA H 42 4.036 4.036 3.757 0.279 19155 4878 1 11 . 1 1 42 42 LEU C C 42 179.072 179.072 178.823 0.249 19155 4879 1 11 . 1 1 42 42 LEU CA C 42 58.028 58.028 58.528 -0.499 19155 4880 1 11 . 1 1 42 42 LEU CB C 42 41.053 41.053 41.624 -0.571 19155 4881 1 11 . 1 1 42 42 LEU H H 42 8.915 8.915 8.552 0.363 19155 4882 1 11 . 1 1 43 43 ASN N N 43 117.439 117.439 116.535 0.904 19155 4883 1 11 . 1 1 43 43 ASN HA H 43 4.560 4.560 4.456 0.104 19155 4884 1 11 . 1 1 43 43 ASN C C 43 177.692 177.692 177.662 0.030 19155 4885 1 11 . 1 1 43 43 ASN CA C 43 56.224 56.224 56.371 -0.147 19155 4886 1 11 . 1 1 43 43 ASN CB C 43 38.241 38.241 38.147 0.094 19155 4887 1 11 . 1 1 43 43 ASN H H 43 8.436 8.436 8.397 0.039 19155 4888 1 11 . 1 1 44 44 ASN N N 44 121.188 121.188 120.193 0.995 19155 4889 1 11 . 1 1 44 44 ASN HA H 44 4.647 4.647 4.699 -0.052 19155 4890 1 11 . 1 1 44 44 ASN C C 44 178.704 178.704 177.419 1.285 19155 4891 1 11 . 1 1 44 44 ASN CA C 44 56.233 56.233 55.304 0.929 19155 4892 1 11 . 1 1 44 44 ASN CB C 44 37.466 37.466 38.623 -1.157 19155 4893 1 11 . 1 1 44 44 ASN H H 44 8.079 8.079 7.753 0.326 19155 4894 1 11 . 1 1 45 45 ILE N N 45 124.315 124.315 121.712 2.603 19155 4895 1 11 . 1 1 45 45 ILE HA H 45 3.985 3.985 3.678 0.307 19155 4896 1 11 . 1 1 45 45 ILE C C 45 177.925 177.925 177.559 0.366 19155 4897 1 11 . 1 1 45 45 ILE CA C 45 65.578 65.578 65.876 -0.298 19155 4898 1 11 . 1 1 45 45 ILE CB C 45 38.903 38.903 37.653 1.250 19155 4899 1 11 . 1 1 45 45 ILE H H 45 8.533 8.533 8.680 -0.147 19155 4900 1 11 . 1 1 46 46 LYS N N 46 119.624 119.624 119.856 -0.232 19155 4901 1 11 . 1 1 46 46 LYS HA H 46 3.743 3.743 3.818 -0.075 19155 4902 1 11 . 1 1 46 46 LYS C C 46 177.699 177.699 178.635 -0.936 19155 4903 1 11 . 1 1 46 46 LYS CA C 46 60.161 60.161 60.649 -0.488 19155 4904 1 11 . 1 1 46 46 LYS CB C 46 31.420 31.420 32.293 -0.873 19155 4905 1 11 . 1 1 46 46 LYS H H 46 8.660 8.660 8.496 0.164 19155 4906 1 11 . 1 1 47 47 ASN N N 47 116.034 116.034 117.483 -1.449 19155 4907 1 11 . 1 1 47 47 ASN HA H 47 4.468 4.468 4.429 0.039 19155 4908 1 11 . 1 1 47 47 ASN C C 47 177.768 177.768 177.495 0.273 19155 4909 1 11 . 1 1 47 47 ASN CA C 47 56.538 56.538 56.504 0.034 19155 4910 1 11 . 1 1 47 47 ASN CB C 47 37.882 37.882 38.371 -0.489 19155 4911 1 11 . 1 1 47 47 ASN H H 47 8.344 8.344 8.141 0.203 19155 4912 1 11 . 1 1 48 48 GLU N N 48 121.665 121.665 120.420 1.245 19155 4913 1 11 . 1 1 48 48 GLU HA H 48 4.044 4.044 4.009 0.035 19155 4914 1 11 . 1 1 48 48 GLU C C 48 179.915 179.915 179.116 0.799 19155 4915 1 11 . 1 1 48 48 GLU CA C 48 59.444 59.444 59.516 -0.072 19155 4916 1 11 . 1 1 48 48 GLU CB C 48 29.230 29.230 29.719 -0.489 19155 4917 1 11 . 1 1 48 48 GLU H H 48 8.301 8.301 8.413 -0.112 19155 4918 1 11 . 1 1 49 49 TYR N N 49 117.600 117.600 119.216 -1.616 19155 4919 1 11 . 1 1 49 49 TYR HA H 49 3.992 3.992 4.339 -0.347 19155 4920 1 11 . 1 1 49 49 TYR C C 49 178.275 178.275 178.073 0.202 19155 4921 1 11 . 1 1 49 49 TYR CA C 49 64.508 64.508 61.698 2.810 19155 4922 1 11 . 1 1 49 49 TYR CB C 49 37.881 37.881 38.538 -0.657 19155 4923 1 11 . 1 1 49 49 TYR H H 49 8.581 8.581 8.565 0.016 19155 4924 1 11 . 1 1 50 50 LEU N N 50 122.126 122.126 120.822 1.304 19155 4925 1 11 . 1 1 50 50 LEU HA H 50 4.181 4.181 3.799 0.382 19155 4926 1 11 . 1 1 50 50 LEU C C 50 180.089 180.089 178.864 1.225 19155 4927 1 11 . 1 1 50 50 LEU CA C 50 59.061 59.061 58.675 0.386 19155 4928 1 11 . 1 1 50 50 LEU CB C 50 40.096 40.096 41.575 -1.479 19155 4929 1 11 . 1 1 50 50 LEU H H 50 9.207 9.207 8.829 0.378 19155 4930 1 11 . 1 1 51 51 ASN N N 51 117.124 117.124 117.358 -0.234 19155 4931 1 11 . 1 1 51 51 ASN HA H 51 4.535 4.535 4.393 0.142 19155 4932 1 11 . 1 1 51 51 ASN C C 51 177.522 177.522 177.292 0.230 19155 4933 1 11 . 1 1 51 51 ASN CA C 51 56.240 56.240 56.389 -0.149 19155 4934 1 11 . 1 1 51 51 ASN CB C 51 37.898 37.898 38.379 -0.481 19155 4935 1 11 . 1 1 51 51 ASN H H 51 7.634 7.634 8.206 -0.572 19155 4936 1 11 . 1 1 52 52 LYS N N 52 119.154 119.154 118.974 0.180 19155 4937 1 11 . 1 1 52 52 LYS HA H 52 4.037 4.037 3.939 0.098 19155 4938 1 11 . 1 1 52 52 LYS C C 52 179.905 179.905 178.225 1.680 19155 4939 1 11 . 1 1 52 52 LYS CA C 52 59.803 59.803 59.200 0.603 19155 4940 1 11 . 1 1 52 52 LYS CB C 52 33.215 33.215 32.257 0.958 19155 4941 1 11 . 1 1 52 52 LYS H H 52 7.663 7.663 7.879 -0.216 19155 4942 1 11 . 1 1 53 53 ILE N N 53 121.662 121.662 117.953 3.709 19155 4943 1 11 . 1 1 53 53 ILE HA H 53 3.532 3.532 3.885 -0.353 19155 4944 1 11 . 1 1 53 53 ILE C C 53 178.489 178.489 178.522 -0.033 19155 4945 1 11 . 1 1 53 53 ILE CA C 53 65.906 65.906 64.513 1.393 19155 4946 1 11 . 1 1 53 53 ILE CB C 53 38.249 38.249 38.578 -0.329 19155 4947 1 11 . 1 1 53 53 ILE H H 53 8.493 8.493 8.102 0.391 19155 4948 1 11 . 1 1 54 54 VAL N N 54 119.477 119.477 120.039 -0.562 19155 4949 1 11 . 1 1 54 54 VAL HA H 54 3.647 3.647 3.681 -0.034 19155 4950 1 11 . 1 1 54 54 VAL C C 54 176.683 176.683 177.217 -0.534 19155 4951 1 11 . 1 1 54 54 VAL CA C 54 66.643 66.643 65.563 1.080 19155 4952 1 11 . 1 1 54 54 VAL CB C 54 31.448 31.448 31.909 -0.461 19155 4953 1 11 . 1 1 54 54 VAL H H 54 7.598 7.598 7.952 -0.354 19155 4954 1 11 . 1 1 55 55 GLU N N 55 114.467 114.467 118.272 -3.805 19155 4955 1 11 . 1 1 55 55 GLU HA H 55 4.281 4.281 4.271 0.010 19155 4956 1 11 . 1 1 55 55 GLU C C 55 176.914 176.914 176.307 0.607 19155 4957 1 11 . 1 1 55 55 GLU CA C 55 56.195 56.195 56.724 -0.529 19155 4958 1 11 . 1 1 55 55 GLU CB C 55 30.354 30.354 29.893 0.461 19155 4959 1 11 . 1 1 55 55 GLU H H 55 7.064 7.064 8.126 -1.062 19155 4960 1 11 . 1 1 56 56 SER N N 56 116.806 116.806 113.026 3.780 19155 4961 1 11 . 1 1 56 56 SER HA H 56 4.435 4.435 4.471 -0.036 19155 4962 1 11 . 1 1 56 56 SER C C 56 175.566 175.566 174.121 1.445 19155 4963 1 11 . 1 1 56 56 SER CA C 56 60.163 60.163 58.670 1.492 19155 4964 1 11 . 1 1 56 56 SER CB C 56 64.439 64.439 64.103 0.336 19155 4965 1 11 . 1 1 56 56 SER H H 56 7.504 7.504 7.415 0.089 19155 4966 1 11 . 1 1 57 57 THR N N 57 111.347 111.347 114.076 -2.729 19155 4967 1 11 . 1 1 57 57 THR HA H 57 4.539 4.539 4.368 0.171 19155 4968 1 11 . 1 1 57 57 THR C C 57 174.424 174.424 174.345 0.079 19155 4969 1 11 . 1 1 57 57 THR CA C 57 61.518 61.518 62.472 -0.954 19155 4970 1 11 . 1 1 57 57 THR CB C 57 70.377 70.377 70.189 0.188 19155 4971 1 11 . 1 1 57 57 THR H H 57 9.083 9.083 8.515 0.568 19155 4972 1 11 . 1 1 58 58 SER N N 58 115.415 115.415 119.976 -4.561 19155 4973 1 11 . 1 1 58 58 SER HA H 58 5.059 5.059 4.500 0.559 19155 4974 1 11 . 1 1 58 58 SER C C 58 174.278 174.278 174.316 -0.038 19155 4975 1 11 . 1 1 58 58 SER CA C 58 56.928 56.928 58.739 -1.811 19155 4976 1 11 . 1 1 58 58 SER CB C 58 66.570 66.570 63.834 2.736 19155 4977 1 11 . 1 1 58 58 SER H H 58 7.689 7.689 8.326 -0.637 19155 4978 1 11 . 1 1 59 59 GLU N N 59 124.305 124.305 127.308 -3.003 19155 4979 1 11 . 1 1 59 59 GLU HA H 59 3.990 3.990 4.253 -0.263 19155 4980 1 11 . 1 1 59 59 GLU C C 59 179.113 179.113 175.886 3.227 19155 4981 1 11 . 1 1 59 59 GLU CA C 59 60.159 60.159 57.592 2.567 19155 4982 1 11 . 1 1 59 59 GLU CB C 59 29.616 29.616 28.381 1.235 19155 4983 1 11 . 1 1 59 59 GLU H H 59 9.719 9.719 9.127 0.592 19155 4984 1 11 . 1 1 60 60 SER N N 60 115.406 115.406 114.879 0.527 19155 4985 1 11 . 1 1 60 60 SER HA H 60 4.249 4.249 4.517 -0.268 19155 4986 1 11 . 1 1 60 60 SER C C 60 177.307 177.307 175.520 1.787 19155 4987 1 11 . 1 1 60 60 SER CA C 60 61.259 61.259 59.660 1.599 19155 4988 1 11 . 1 1 60 60 SER CB C 60 61.960 61.960 63.927 -1.967 19155 4989 1 11 . 1 1 60 60 SER H H 60 8.614 8.614 7.944 0.670 19155 4990 1 11 . 1 1 61 61 GLN N N 61 121.656 121.656 122.742 -1.086 19155 4991 1 11 . 1 1 61 61 GLN HA H 61 4.107 4.107 4.146 -0.039 19155 4992 1 11 . 1 1 61 61 GLN C C 61 178.777 178.777 178.021 0.756 19155 4993 1 11 . 1 1 61 61 GLN CA C 61 58.743 58.743 58.935 -0.192 19155 4994 1 11 . 1 1 61 61 GLN CB C 61 28.900 28.900 28.509 0.391 19155 4995 1 11 . 1 1 61 61 GLN H H 61 7.669 7.669 8.428 -0.759 19155 4996 1 11 . 1 1 62 62 LEU N N 62 118.689 118.689 118.460 0.229 19155 4997 1 11 . 1 1 62 62 LEU HA H 62 4.035 4.035 3.916 0.119 19155 4998 1 11 . 1 1 62 62 LEU C C 62 178.363 178.363 178.638 -0.275 19155 4999 1 11 . 1 1 62 62 LEU CA C 62 58.725 58.725 57.811 0.914 19155 5000 1 11 . 1 1 62 62 LEU CB C 62 41.836 41.836 41.660 0.175 19155 5001 1 11 . 1 1 62 62 LEU H H 62 7.736 7.736 8.430 -0.694 19155 5002 1 11 . 1 1 63 63 GLN N N 63 117.441 117.441 116.629 0.812 19155 5003 1 11 . 1 1 63 63 GLN HA H 63 4.078 4.078 4.164 -0.086 19155 5004 1 11 . 1 1 63 63 GLN C C 63 179.312 179.312 178.825 0.487 19155 5005 1 11 . 1 1 63 63 GLN CA C 63 59.062 59.062 57.659 1.403 19155 5006 1 11 . 1 1 63 63 GLN CB C 63 27.819 27.819 28.535 -0.716 19155 5007 1 11 . 1 1 63 63 GLN H H 63 7.943 7.943 7.554 0.389 19155 5008 1 11 . 1 1 64 64 ILE N N 64 120.406 120.406 121.336 -0.930 19155 5009 1 11 . 1 1 64 64 ILE HA H 64 3.809 3.809 3.836 -0.027 19155 5010 1 11 . 1 1 64 64 ILE C C 64 178.734 178.734 177.918 0.816 19155 5011 1 11 . 1 1 64 64 ILE CA C 64 64.722 64.722 62.560 2.162 19155 5012 1 11 . 1 1 64 64 ILE CB C 64 37.971 37.971 36.555 1.416 19155 5013 1 11 . 1 1 64 64 ILE H H 64 7.544 7.544 7.949 -0.405 19155 5014 1 11 . 1 1 65 65 LEU N N 65 120.247 120.247 120.371 -0.124 19155 5015 1 11 . 1 1 65 65 LEU HA H 65 4.212 4.212 3.991 0.221 19155 5016 1 11 . 1 1 65 65 LEU C C 65 179.685 179.685 178.911 0.774 19155 5017 1 11 . 1 1 65 65 LEU CA C 65 58.004 58.004 58.301 -0.297 19155 5018 1 11 . 1 1 65 65 LEU CB C 65 42.553 42.553 41.335 1.218 19155 5019 1 11 . 1 1 65 65 LEU H H 65 8.361 8.361 8.593 -0.232 19155 5020 1 11 . 1 1 66 66 MET N N 66 118.685 118.685 118.089 0.596 19155 5021 1 11 . 1 1 66 66 MET HA H 66 3.918 3.918 4.044 -0.126 19155 5022 1 11 . 1 1 66 66 MET C C 66 178.906 178.906 178.407 0.499 19155 5023 1 11 . 1 1 66 66 MET CA C 66 59.467 59.467 59.645 -0.178 19155 5024 1 11 . 1 1 66 66 MET CB C 66 33.519 33.519 32.340 1.179 19155 5025 1 11 . 1 1 66 66 MET H H 66 8.458 8.458 7.560 0.898 19155 5026 1 11 . 1 1 67 67 MET N N 67 118.685 118.685 118.395 0.290 19155 5027 1 11 . 1 1 67 67 MET HA H 67 4.098 4.098 4.133 -0.035 19155 5028 1 11 . 1 1 67 67 MET C C 67 178.781 178.781 178.591 0.190 19155 5029 1 11 . 1 1 67 67 MET CA C 67 58.379 58.379 58.494 -0.115 19155 5030 1 11 . 1 1 67 67 MET CB C 67 32.031 32.031 31.435 0.596 19155 5031 1 11 . 1 1 67 67 MET H H 67 7.559 7.559 7.656 -0.097 19155 5032 1 11 . 1 1 68 68 GLU N N 68 122.128 122.128 120.119 2.009 19155 5033 1 11 . 1 1 68 68 GLU HA H 68 3.990 3.990 4.025 -0.035 19155 5034 1 11 . 1 1 68 68 GLU C C 68 178.803 178.803 179.156 -0.353 19155 5035 1 11 . 1 1 68 68 GLU CA C 68 59.459 59.459 59.751 -0.292 19155 5036 1 11 . 1 1 68 68 GLU CB C 68 30.706 30.706 29.212 1.494 19155 5037 1 11 . 1 1 68 68 GLU H H 68 8.895 8.895 8.756 0.139 19155 5038 1 11 . 1 1 69 69 SER N N 69 114.769 114.769 116.160 -1.391 19155 5039 1 11 . 1 1 69 69 SER HA H 69 2.872 2.872 3.629 -0.757 19155 5040 1 11 . 1 1 69 69 SER C C 69 175.801 175.801 176.594 -0.793 19155 5041 1 11 . 1 1 69 69 SER CA C 69 62.000 62.000 61.782 0.217 19155 5042 1 11 . 1 1 69 69 SER CB C 69 62.282 62.282 62.597 -0.315 19155 5043 1 11 . 1 1 69 69 SER H H 69 8.161 8.161 8.066 0.095 19155 5044 1 11 . 1 1 70 70 ARG N N 70 120.552 120.552 121.242 -0.690 19155 5045 1 11 . 1 1 70 70 ARG HA H 70 3.744 3.744 3.922 -0.178 19155 5046 1 11 . 1 1 70 70 ARG C C 70 177.654 177.654 178.477 -0.823 19155 5047 1 11 . 1 1 70 70 ARG CA C 70 59.793 59.793 59.339 0.454 19155 5048 1 11 . 1 1 70 70 ARG CB C 70 29.974 29.974 29.614 0.360 19155 5049 1 11 . 1 1 70 70 ARG H H 70 6.945 6.945 8.485 -1.540 19155 5050 1 11 . 1 1 71 71 SER N N 71 113.064 113.064 113.983 -0.919 19155 5051 1 11 . 1 1 71 71 SER HA H 71 4.275 4.275 4.218 0.057 19155 5052 1 11 . 1 1 71 71 SER C C 71 177.491 177.491 176.385 1.106 19155 5053 1 11 . 1 1 71 71 SER CA C 71 61.571 61.571 61.361 0.209 19155 5054 1 11 . 1 1 71 71 SER CB C 71 62.710 62.710 62.779 -0.069 19155 5055 1 11 . 1 1 71 71 SER H H 71 7.721 7.721 8.042 -0.321 19155 5056 1 11 . 1 1 72 72 LYS N N 72 121.657 121.657 122.252 -0.595 19155 5057 1 11 . 1 1 72 72 LYS HA H 72 4.170 4.170 4.125 0.045 19155 5058 1 11 . 1 1 72 72 LYS C C 72 180.429 180.429 179.065 1.364 19155 5059 1 11 . 1 1 72 72 LYS CA C 72 58.725 58.725 59.237 -0.512 19155 5060 1 11 . 1 1 72 72 LYS CB C 72 32.131 32.131 32.395 -0.264 19155 5061 1 11 . 1 1 72 72 LYS H H 72 8.414 8.414 7.904 0.510 19155 5062 1 11 . 1 1 73 73 VAL N N 73 123.222 123.222 121.477 1.745 19155 5063 1 11 . 1 1 73 73 VAL HA H 73 3.598 3.598 3.615 -0.017 19155 5064 1 11 . 1 1 73 73 VAL C C 73 176.929 176.929 177.581 -0.652 19155 5065 1 11 . 1 1 73 73 VAL CA C 73 66.975 66.975 66.833 0.142 19155 5066 1 11 . 1 1 73 73 VAL CB C 73 31.704 31.704 31.329 0.375 19155 5067 1 11 . 1 1 73 73 VAL H H 73 8.421 8.421 8.528 -0.107 19155 5068 1 11 . 1 1 74 74 ASP N N 74 120.101 120.101 120.138 -0.037 19155 5069 1 11 . 1 1 74 74 ASP HA H 74 4.393 4.393 4.420 -0.027 19155 5070 1 11 . 1 1 74 74 ASP C C 74 180.001 180.001 178.507 1.494 19155 5071 1 11 . 1 1 74 74 ASP CA C 74 57.324 57.324 58.017 -0.693 19155 5072 1 11 . 1 1 74 74 ASP CB C 74 39.326 39.326 40.412 -1.086 19155 5073 1 11 . 1 1 74 74 ASP H H 74 8.674 8.674 8.441 0.233 19155 5074 1 11 . 1 1 75 75 GLU N N 75 121.349 121.349 120.354 0.995 19155 5075 1 11 . 1 1 75 75 GLU HA H 75 4.113 4.113 4.026 0.087 19155 5076 1 11 . 1 1 75 75 GLU C C 75 178.732 178.732 178.570 0.162 19155 5077 1 11 . 1 1 75 75 GLU CA C 75 59.083 59.083 59.445 -0.362 19155 5078 1 11 . 1 1 75 75 GLU CB C 75 29.975 29.975 29.790 0.185 19155 5079 1 11 . 1 1 75 75 GLU H H 75 8.475 8.475 8.396 0.079 19155 5080 1 11 . 1 1 76 76 ALA N N 76 124.160 124.160 122.838 1.322 19155 5081 1 11 . 1 1 76 76 ALA HA H 76 4.281 4.281 4.170 0.111 19155 5082 1 11 . 1 1 76 76 ALA C C 76 179.906 179.906 180.014 -0.108 19155 5083 1 11 . 1 1 76 76 ALA CA C 76 55.530 55.530 55.131 0.399 19155 5084 1 11 . 1 1 76 76 ALA CB C 76 17.424 17.424 18.497 -1.073 19155 5085 1 11 . 1 1 76 76 ALA H H 76 7.944 7.944 7.913 0.031 19155 5086 1 11 . 1 1 77 77 VAL N N 77 117.439 117.439 118.858 -1.419 19155 5087 1 11 . 1 1 77 77 VAL HA H 77 3.644 3.644 3.611 0.033 19155 5088 1 11 . 1 1 77 77 VAL C C 77 178.784 178.784 178.172 0.612 19155 5089 1 11 . 1 1 77 77 VAL CA C 77 66.958 66.958 66.903 0.055 19155 5090 1 11 . 1 1 77 77 VAL CB C 77 31.807 31.807 31.297 0.510 19155 5091 1 11 . 1 1 77 77 VAL H H 77 8.204 8.204 8.372 -0.168 19155 5092 1 11 . 1 1 78 78 SER N N 78 113.687 113.687 113.450 0.237 19155 5093 1 11 . 1 1 78 78 SER HA H 78 4.266 4.266 4.319 -0.053 19155 5094 1 11 . 1 1 78 78 SER C C 78 176.762 176.762 175.874 0.888 19155 5095 1 11 . 1 1 78 78 SER CA C 78 61.241 61.241 60.942 0.299 19155 5096 1 11 . 1 1 78 78 SER CB C 78 62.678 62.678 62.991 -0.313 19155 5097 1 11 . 1 1 78 78 SER H H 78 7.935 7.935 8.326 -0.391 19155 5098 1 11 . 1 1 79 79 LYS N N 79 121.029 121.029 120.221 0.808 19155 5099 1 11 . 1 1 79 79 LYS HA H 79 4.070 4.070 4.185 -0.115 19155 5100 1 11 . 1 1 79 79 LYS C C 79 178.135 178.135 177.742 0.393 19155 5101 1 11 . 1 1 79 79 LYS CA C 79 58.723 58.723 58.533 0.190 19155 5102 1 11 . 1 1 79 79 LYS CB C 79 32.489 32.489 32.869 -0.380 19155 5103 1 11 . 1 1 79 79 LYS H H 79 7.989 7.989 8.054 -0.065 19155 5104 1 11 . 1 1 80 80 PHE N N 80 117.437 117.437 116.362 1.075 19155 5105 1 11 . 1 1 80 80 PHE HA H 80 4.490 4.490 4.407 0.083 19155 5106 1 11 . 1 1 80 80 PHE C C 80 176.236 176.236 176.661 -0.425 19155 5107 1 11 . 1 1 80 80 PHE CA C 80 59.444 59.444 60.353 -0.909 19155 5108 1 11 . 1 1 80 80 PHE CB C 80 40.032 40.032 40.651 -0.619 19155 5109 1 11 . 1 1 80 80 PHE H H 80 7.838 7.838 7.748 0.090 19155 5110 1 11 . 1 1 81 81 GLU N N 81 120.092 120.092 118.065 2.027 19155 5111 1 11 . 1 1 81 81 GLU HA H 81 4.290 4.290 4.257 0.033 19155 5112 1 11 . 1 1 81 81 GLU C C 81 175.715 175.715 176.052 -0.337 19155 5113 1 11 . 1 1 81 81 GLU CA C 81 56.928 56.928 56.937 -0.009 19155 5114 1 11 . 1 1 81 81 GLU CB C 81 29.997 29.997 29.943 0.054 19155 5115 1 11 . 1 1 81 81 GLU H H 81 7.864 7.864 8.432 -0.568 19155 5116 1 12 . 1 1 2 2 ASP N N 2 119.961 119.961 122.095 -2.134 19155 5117 1 12 . 1 1 2 2 ASP HA H 2 4.440 4.440 4.360 0.080 19155 5118 1 12 . 1 1 2 2 ASP C C 2 178.594 178.594 177.692 0.902 19155 5119 1 12 . 1 1 2 2 ASP CA C 2 57.997 57.997 57.005 0.992 19155 5120 1 12 . 1 1 2 2 ASP CB C 2 40.098 40.098 40.533 -0.435 19155 5121 1 12 . 1 1 2 2 ASP H H 2 8.260 8.260 8.906 -0.646 19155 5122 1 12 . 1 1 3 3 SER N N 3 115.401 115.401 114.114 1.287 19155 5123 1 12 . 1 1 3 3 SER HA H 3 4.358 4.358 4.139 0.219 19155 5124 1 12 . 1 1 3 3 SER C C 3 177.657 177.657 176.484 1.173 19155 5125 1 12 . 1 1 3 3 SER CA C 3 60.656 60.656 61.177 -0.521 19155 5126 1 12 . 1 1 3 3 SER CB C 3 62.319 62.319 62.958 -0.639 19155 5127 1 12 . 1 1 3 3 SER H H 3 8.112 8.112 8.431 -0.319 19155 5128 1 12 . 1 1 4 4 GLU N N 4 122.287 122.287 122.402 -0.115 19155 5129 1 12 . 1 1 4 4 GLU HA H 4 4.045 4.045 4.189 -0.144 19155 5130 1 12 . 1 1 4 4 GLU C C 4 180.035 180.035 178.254 1.781 19155 5131 1 12 . 1 1 4 4 GLU CA C 4 59.072 59.072 58.605 0.467 19155 5132 1 12 . 1 1 4 4 GLU CB C 4 28.538 28.538 29.859 -1.321 19155 5133 1 12 . 1 1 4 4 GLU H H 4 8.472 8.472 7.767 0.705 19155 5134 1 12 . 1 1 5 5 ARG N N 5 121.026 121.026 119.438 1.588 19155 5135 1 12 . 1 1 5 5 ARG HA H 5 3.894 3.894 4.034 -0.140 19155 5136 1 12 . 1 1 5 5 ARG C C 5 178.298 178.298 177.991 0.307 19155 5137 1 12 . 1 1 5 5 ARG CA C 5 60.564 60.564 59.580 0.984 19155 5138 1 12 . 1 1 5 5 ARG CB C 5 30.681 30.681 29.593 1.089 19155 5139 1 12 . 1 1 5 5 ARG H H 5 8.771 8.771 7.932 0.839 19155 5140 1 12 . 1 1 6 6 ASP N N 6 119.775 119.775 120.161 -0.386 19155 5141 1 12 . 1 1 6 6 ASP HA H 6 4.455 4.455 4.362 0.093 19155 5142 1 12 . 1 1 6 6 ASP C C 6 178.676 178.676 177.955 0.721 19155 5143 1 12 . 1 1 6 6 ASP CA C 6 57.956 57.956 57.671 0.285 19155 5144 1 12 . 1 1 6 6 ASP CB C 6 40.774 40.774 41.175 -0.401 19155 5145 1 12 . 1 1 6 6 ASP H H 6 7.889 7.889 8.315 -0.426 19155 5146 1 12 . 1 1 7 7 LYS N N 7 119.937 119.937 118.822 1.115 19155 5147 1 12 . 1 1 7 7 LYS HA H 7 4.014 4.014 4.112 -0.098 19155 5148 1 12 . 1 1 7 7 LYS C C 7 178.977 178.977 178.578 0.399 19155 5149 1 12 . 1 1 7 7 LYS CA C 7 59.793 59.793 59.026 0.767 19155 5150 1 12 . 1 1 7 7 LYS CB C 7 32.850 32.850 32.042 0.808 19155 5151 1 12 . 1 1 7 7 LYS H H 7 7.950 7.950 7.447 0.503 19155 5152 1 12 . 1 1 8 8 ALA N N 8 122.436 122.436 122.991 -0.555 19155 5153 1 12 . 1 1 8 8 ALA HA H 8 4.478 4.478 4.082 0.396 19155 5154 1 12 . 1 1 8 8 ALA C C 8 178.764 178.764 179.527 -0.763 19155 5155 1 12 . 1 1 8 8 ALA CA C 8 55.168 55.168 55.063 0.105 19155 5156 1 12 . 1 1 8 8 ALA CB C 8 19.502 19.502 18.504 0.998 19155 5157 1 12 . 1 1 8 8 ALA H H 8 7.976 7.976 7.992 -0.016 19155 5158 1 12 . 1 1 9 9 ARG N N 9 118.059 118.059 116.931 1.128 19155 5159 1 12 . 1 1 9 9 ARG HA H 9 3.801 3.801 3.971 -0.170 19155 5160 1 12 . 1 1 9 9 ARG C C 9 177.874 177.874 178.409 -0.535 19155 5161 1 12 . 1 1 9 9 ARG CA C 9 59.794 59.794 59.127 0.667 19155 5162 1 12 . 1 1 9 9 ARG CB C 9 29.989 29.989 29.726 0.263 19155 5163 1 12 . 1 1 9 9 ARG H H 9 8.489 8.489 8.487 0.002 19155 5164 1 12 . 1 1 10 10 LYS N N 10 118.064 118.064 119.658 -1.594 19155 5165 1 12 . 1 1 10 10 LYS HA H 10 4.138 4.138 4.091 0.047 19155 5166 1 12 . 1 1 10 10 LYS C C 10 178.619 178.619 179.023 -0.404 19155 5167 1 12 . 1 1 10 10 LYS CA C 10 59.421 59.421 59.020 0.402 19155 5168 1 12 . 1 1 10 10 LYS CB C 10 32.467 32.467 31.926 0.541 19155 5169 1 12 . 1 1 10 10 LYS H H 10 7.833 7.833 7.759 0.074 19155 5170 1 12 . 1 1 11 11 GLU N N 11 118.845 118.845 119.805 -0.960 19155 5171 1 12 . 1 1 11 11 GLU HA H 11 4.107 4.107 4.126 -0.019 19155 5172 1 12 . 1 1 11 11 GLU C C 11 180.137 180.137 179.225 0.912 19155 5173 1 12 . 1 1 11 11 GLU CA C 11 59.803 59.803 59.461 0.342 19155 5174 1 12 . 1 1 11 11 GLU CB C 11 29.248 29.248 29.422 -0.174 19155 5175 1 12 . 1 1 11 11 GLU H H 11 7.991 7.991 8.336 -0.345 19155 5176 1 12 . 1 1 12 12 VAL N N 12 120.562 120.562 114.805 5.757 19155 5177 1 12 . 1 1 12 12 VAL HA H 12 3.851 3.851 3.872 -0.021 19155 5178 1 12 . 1 1 12 12 VAL C C 12 178.182 178.182 177.793 0.389 19155 5179 1 12 . 1 1 12 12 VAL CA C 12 66.625 66.625 65.763 0.862 19155 5180 1 12 . 1 1 12 12 VAL CB C 12 31.784 31.784 31.781 0.003 19155 5181 1 12 . 1 1 12 12 VAL H H 12 8.173 8.173 7.502 0.671 19155 5182 1 12 . 1 1 13 13 GLU N N 13 117.912 117.912 121.525 -3.613 19155 5183 1 12 . 1 1 13 13 GLU HA H 13 3.841 3.841 4.001 -0.160 19155 5184 1 12 . 1 1 13 13 GLU C C 13 179.959 179.959 178.895 1.064 19155 5185 1 12 . 1 1 13 13 GLU CA C 13 60.498 60.498 60.140 0.358 19155 5186 1 12 . 1 1 13 13 GLU CB C 13 30.014 30.014 29.478 0.536 19155 5187 1 12 . 1 1 13 13 GLU H H 13 8.624 8.624 8.504 0.120 19155 5188 1 12 . 1 1 14 14 GLU N N 14 117.909 117.909 119.386 -1.477 19155 5189 1 12 . 1 1 14 14 GLU HA H 14 4.025 4.025 4.038 -0.013 19155 5190 1 12 . 1 1 14 14 GLU C C 14 179.020 179.020 178.852 0.168 19155 5191 1 12 . 1 1 14 14 GLU CA C 14 59.442 59.442 59.142 0.300 19155 5192 1 12 . 1 1 14 14 GLU CB C 14 29.257 29.257 29.175 0.082 19155 5193 1 12 . 1 1 14 14 GLU H H 14 8.904 8.904 8.662 0.241 19155 5194 1 12 . 1 1 15 15 TYR N N 15 122.592 122.592 121.634 0.958 19155 5195 1 12 . 1 1 15 15 TYR HA H 15 4.359 4.359 4.180 0.179 19155 5196 1 12 . 1 1 15 15 TYR C C 15 177.581 177.581 177.676 -0.095 19155 5197 1 12 . 1 1 15 15 TYR CA C 15 62.430 62.430 61.964 0.466 19155 5198 1 12 . 1 1 15 15 TYR CB C 15 38.541 38.541 38.863 -0.322 19155 5199 1 12 . 1 1 15 15 TYR H H 15 8.170 8.170 8.030 0.140 19155 5200 1 12 . 1 1 16 16 VAL N N 16 116.497 116.497 118.983 -2.486 19155 5201 1 12 . 1 1 16 16 VAL HA H 16 3.386 3.386 3.475 -0.089 19155 5202 1 12 . 1 1 16 16 VAL C C 16 177.221 177.221 177.791 -0.570 19155 5203 1 12 . 1 1 16 16 VAL CA C 16 68.053 68.053 66.915 1.138 19155 5204 1 12 . 1 1 16 16 VAL CB C 16 31.427 31.427 31.221 0.206 19155 5205 1 12 . 1 1 16 16 VAL H H 16 7.953 7.953 8.094 -0.141 19155 5206 1 12 . 1 1 17 17 LYS N N 17 118.530 118.530 120.148 -1.618 19155 5207 1 12 . 1 1 17 17 LYS HA H 17 3.922 3.922 3.861 0.061 19155 5208 1 12 . 1 1 17 17 LYS C C 17 179.742 179.742 178.562 1.180 19155 5209 1 12 . 1 1 17 17 LYS CA C 17 60.145 60.145 59.965 0.180 19155 5210 1 12 . 1 1 17 17 LYS CB C 17 32.827 32.827 32.230 0.597 19155 5211 1 12 . 1 1 17 17 LYS H H 17 8.274 8.274 8.293 -0.019 19155 5212 1 12 . 1 1 18 18 LYS N N 18 121.031 121.031 119.788 1.243 19155 5213 1 12 . 1 1 18 18 LYS HA H 18 4.018 4.018 4.009 0.009 19155 5214 1 12 . 1 1 18 18 LYS C C 18 178.962 178.962 178.772 0.190 19155 5215 1 12 . 1 1 18 18 LYS CA C 18 59.085 59.085 58.944 0.141 19155 5216 1 12 . 1 1 18 18 LYS CB C 18 32.132 32.132 31.932 0.200 19155 5217 1 12 . 1 1 18 18 LYS H H 18 7.946 7.946 8.003 -0.057 19155 5218 1 12 . 1 1 19 19 ILE N N 19 120.718 120.718 119.864 0.854 19155 5219 1 12 . 1 1 19 19 ILE HA H 19 3.727 3.727 3.607 0.120 19155 5220 1 12 . 1 1 19 19 ILE C C 19 172.120 172.120 177.852 -5.732 19155 5221 1 12 . 1 1 19 19 ILE CA C 19 62.128 62.128 64.442 -2.314 19155 5222 1 12 . 1 1 19 19 ILE CB C 19 35.988 35.988 36.887 -0.899 19155 5223 1 12 . 1 1 19 19 ILE H H 19 7.796 7.796 8.193 -0.397 19155 5224 1 12 . 1 1 20 20 VAL N N 20 124.792 124.792 119.828 4.964 19155 5225 1 12 . 1 1 20 20 VAL HA H 20 3.312 3.312 3.349 -0.037 19155 5226 1 12 . 1 1 20 20 VAL C C 20 177.873 177.873 178.198 -0.325 19155 5227 1 12 . 1 1 20 20 VAL CA C 20 67.738 67.738 66.576 1.162 19155 5228 1 12 . 1 1 20 20 VAL CB C 20 31.772 31.772 30.491 1.281 19155 5229 1 12 . 1 1 20 20 VAL H H 20 9.190 9.190 8.428 0.762 19155 5230 1 12 . 1 1 21 21 GLY N N 21 106.034 106.034 107.225 -1.191 19155 5231 1 12 . 1 1 21 21 GLY C C 21 177.470 177.470 176.457 1.013 19155 5232 1 12 . 1 1 21 21 GLY CA C 21 47.226 47.226 47.237 -0.011 19155 5233 1 12 . 1 1 21 21 GLY H H 21 8.117 8.117 8.380 -0.263 19155 5234 1 12 . 1 1 22 22 GLU N N 22 122.282 122.282 121.622 0.660 19155 5235 1 12 . 1 1 22 22 GLU HA H 22 4.104 4.104 4.217 -0.113 19155 5236 1 12 . 1 1 22 22 GLU C C 22 178.827 178.827 179.228 -0.401 19155 5237 1 12 . 1 1 22 22 GLU CA C 22 59.016 59.016 58.599 0.417 19155 5238 1 12 . 1 1 22 22 GLU CB C 22 29.619 29.619 29.120 0.499 19155 5239 1 12 . 1 1 22 22 GLU H H 22 8.197 8.197 8.201 -0.004 19155 5240 1 12 . 1 1 23 23 SER N N 23 116.812 116.812 116.753 0.059 19155 5241 1 12 . 1 1 23 23 SER HA H 23 4.201 4.201 4.224 -0.023 19155 5242 1 12 . 1 1 23 23 SER C C 23 177.084 177.084 176.490 0.594 19155 5243 1 12 . 1 1 23 23 SER CA C 23 61.998 61.998 62.056 -0.058 19155 5244 1 12 . 1 1 23 23 SER CB C 23 62.105 62.105 63.111 -1.006 19155 5245 1 12 . 1 1 23 23 SER H H 23 8.285 8.285 8.615 -0.330 19155 5246 1 12 . 1 1 24 24 TYR N N 24 120.879 120.879 119.175 1.704 19155 5247 1 12 . 1 1 24 24 TYR HA H 24 4.396 4.396 4.354 0.042 19155 5248 1 12 . 1 1 24 24 TYR C C 24 178.846 178.846 176.887 1.959 19155 5249 1 12 . 1 1 24 24 TYR CA C 24 61.189 61.189 58.524 2.665 19155 5250 1 12 . 1 1 24 24 TYR CB C 24 37.866 37.866 37.615 0.251 19155 5251 1 12 . 1 1 24 24 TYR H H 24 8.254 8.254 8.185 0.069 19155 5252 1 12 . 1 1 25 25 ALA N N 25 122.124 122.124 120.545 1.579 19155 5253 1 12 . 1 1 25 25 ALA HA H 25 4.251 4.251 4.191 0.060 19155 5254 1 12 . 1 1 25 25 ALA C C 25 178.999 178.999 178.412 0.587 19155 5255 1 12 . 1 1 25 25 ALA CA C 25 54.608 54.608 53.806 0.803 19155 5256 1 12 . 1 1 25 25 ALA CB C 25 18.108 18.108 19.367 -1.260 19155 5257 1 12 . 1 1 25 25 ALA H H 25 8.018 8.018 7.782 0.236 19155 5258 1 12 . 1 1 26 26 LYS N N 26 115.251 115.251 116.972 -1.721 19155 5259 1 12 . 1 1 26 26 LYS HA H 26 4.459 4.459 4.410 0.049 19155 5260 1 12 . 1 1 26 26 LYS C C 26 176.598 176.598 177.465 -0.867 19155 5261 1 12 . 1 1 26 26 LYS CA C 26 56.209 56.209 56.852 -0.643 19155 5262 1 12 . 1 1 26 26 LYS CB C 26 33.191 33.191 33.404 -0.213 19155 5263 1 12 . 1 1 26 26 LYS H H 26 7.533 7.533 8.063 -0.530 19155 5264 1 12 . 1 1 27 27 SER N N 27 115.400 115.400 116.562 -1.162 19155 5265 1 12 . 1 1 27 27 SER HA H 27 4.332 4.332 4.482 -0.150 19155 5266 1 12 . 1 1 27 27 SER C C 27 174.768 174.768 174.542 0.226 19155 5267 1 12 . 1 1 27 27 SER CA C 27 58.808 58.808 58.939 -0.131 19155 5268 1 12 . 1 1 27 27 SER CB C 27 63.397 63.397 63.875 -0.478 19155 5269 1 12 . 1 1 27 27 SER H H 27 7.570 7.570 7.769 -0.199 19155 5270 1 12 . 1 1 28 28 THR N N 28 114.468 114.468 120.605 -6.137 19155 5271 1 12 . 1 1 28 28 THR HA H 28 4.649 4.649 4.514 0.135 19155 5272 1 12 . 1 1 28 28 THR CA C 28 60.242 60.242 62.024 -1.782 19155 5273 1 12 . 1 1 28 28 THR CB C 28 71.544 71.544 70.093 1.451 19155 5274 1 12 . 1 1 28 28 THR H H 28 7.725 7.725 8.329 -0.604 19155 5275 1 12 . 1 1 29 29 LYS HA H 29 4.300 4.300 3.844 0.456 19155 5276 1 12 . 1 1 29 29 LYS CA C 29 57.974 57.974 59.621 -1.647 19155 5277 1 12 . 1 1 29 29 LYS CB C 29 32.820 32.820 31.879 0.941 19155 5278 1 12 . 1 1 30 30 LYS HA H 30 4.154 4.154 4.136 0.018 19155 5279 1 12 . 1 1 30 30 LYS CA C 30 58.725 58.725 58.000 0.725 19155 5280 1 12 . 1 1 31 31 ARG HA H 31 4.533 4.533 4.588 -0.055 19155 5281 1 12 . 1 1 31 31 ARG CA C 31 56.137 56.137 55.560 0.577 19155 5282 1 12 . 1 1 31 31 ARG CB C 31 31.003 31.003 30.650 0.353 19155 5283 1 12 . 1 1 32 32 HIS HA H 32 4.570 4.570 4.289 0.281 19155 5284 1 12 . 1 1 32 32 HIS C C 32 176.136 176.136 176.944 -0.808 19155 5285 1 12 . 1 1 32 32 HIS CA C 32 58.689 58.689 60.150 -1.461 19155 5286 1 12 . 1 1 32 32 HIS CB C 32 30.731 30.731 29.520 1.211 19155 5287 1 12 . 1 1 33 33 THR N N 33 111.162 111.162 116.303 -5.141 19155 5288 1 12 . 1 1 33 33 THR HA H 33 3.976 3.976 3.916 0.060 19155 5289 1 12 . 1 1 33 33 THR C C 33 176.807 176.807 176.411 0.396 19155 5290 1 12 . 1 1 33 33 THR CA C 33 65.194 65.194 66.737 -1.543 19155 5291 1 12 . 1 1 33 33 THR CB C 33 68.428 68.428 68.251 0.177 19155 5292 1 12 . 1 1 33 33 THR H H 33 8.355 8.355 8.418 -0.063 19155 5293 1 12 . 1 1 34 34 ILE N N 34 123.220 123.220 119.264 3.956 19155 5294 1 12 . 1 1 34 34 ILE HA H 34 4.047 4.047 3.987 0.060 19155 5295 1 12 . 1 1 34 34 ILE C C 34 176.944 176.944 177.314 -0.370 19155 5296 1 12 . 1 1 34 34 ILE CA C 34 63.746 63.746 62.860 0.886 19155 5297 1 12 . 1 1 34 34 ILE CB C 34 37.905 37.905 36.352 1.553 19155 5298 1 12 . 1 1 34 34 ILE H H 34 7.824 7.824 8.117 -0.293 19155 5299 1 12 . 1 1 35 35 THR N N 35 118.694 118.694 115.208 3.486 19155 5300 1 12 . 1 1 35 35 THR HA H 35 4.103 4.103 3.829 0.274 19155 5301 1 12 . 1 1 35 35 THR C C 35 175.385 175.385 176.594 -1.209 19155 5302 1 12 . 1 1 35 35 THR CA C 35 63.339 63.339 66.237 -2.898 19155 5303 1 12 . 1 1 35 35 THR CB C 35 68.428 68.428 68.500 -0.072 19155 5304 1 12 . 1 1 35 35 THR H H 35 8.053 8.053 7.275 0.778 19155 5305 1 12 . 1 1 36 36 VAL N N 36 120.252 120.252 121.388 -1.136 19155 5306 1 12 . 1 1 36 36 VAL HA H 36 3.494 3.494 3.599 -0.105 19155 5307 1 12 . 1 1 36 36 VAL C C 36 177.667 177.667 176.793 0.874 19155 5308 1 12 . 1 1 36 36 VAL CA C 36 66.312 66.312 65.253 1.059 19155 5309 1 12 . 1 1 36 36 VAL CB C 36 31.787 31.787 31.508 0.279 19155 5310 1 12 . 1 1 36 36 VAL H H 36 8.148 8.148 7.887 0.261 19155 5311 1 12 . 1 1 37 37 ALA N N 37 121.815 121.815 123.086 -1.271 19155 5312 1 12 . 1 1 37 37 ALA HA H 37 4.168 4.168 3.874 0.294 19155 5313 1 12 . 1 1 37 37 ALA C C 37 180.404 180.404 178.883 1.521 19155 5314 1 12 . 1 1 37 37 ALA CA C 37 55.062 55.062 55.069 -0.007 19155 5315 1 12 . 1 1 37 37 ALA CB C 37 18.114 18.114 17.783 0.331 19155 5316 1 12 . 1 1 37 37 ALA H H 37 7.526 7.526 7.422 0.104 19155 5317 1 12 . 1 1 38 38 LEU N N 38 122.124 122.124 118.837 3.287 19155 5318 1 12 . 1 1 38 38 LEU HA H 38 3.574 3.574 3.486 0.088 19155 5319 1 12 . 1 1 38 38 LEU C C 38 177.815 177.815 178.495 -0.680 19155 5320 1 12 . 1 1 38 38 LEU CA C 38 57.671 57.671 57.270 0.401 19155 5321 1 12 . 1 1 38 38 LEU CB C 38 40.383 40.383 41.575 -1.192 19155 5322 1 12 . 1 1 38 38 LEU H H 38 7.987 7.987 7.564 0.423 19155 5323 1 12 . 1 1 39 39 VAL N N 39 119.627 119.627 120.033 -0.406 19155 5324 1 12 . 1 1 39 39 VAL HA H 39 3.295 3.295 3.450 -0.155 19155 5325 1 12 . 1 1 39 39 VAL C C 39 178.084 178.084 177.688 0.396 19155 5326 1 12 . 1 1 39 39 VAL CA C 39 67.710 67.710 67.329 0.381 19155 5327 1 12 . 1 1 39 39 VAL CB C 39 31.393 31.393 31.355 0.038 19155 5328 1 12 . 1 1 39 39 VAL H H 39 8.410 8.410 8.449 -0.039 19155 5329 1 12 . 1 1 40 40 ASN N N 40 117.904 117.904 118.038 -0.134 19155 5330 1 12 . 1 1 40 40 ASN HA H 40 4.528 4.528 4.388 0.140 19155 5331 1 12 . 1 1 40 40 ASN C C 40 177.814 177.814 177.897 -0.083 19155 5332 1 12 . 1 1 40 40 ASN CA C 40 56.214 56.214 55.821 0.393 19155 5333 1 12 . 1 1 40 40 ASN CB C 40 37.990 37.990 37.995 -0.005 19155 5334 1 12 . 1 1 40 40 ASN H H 40 8.211 8.211 8.374 -0.163 19155 5335 1 12 . 1 1 41 41 GLU N N 41 122.117 122.117 120.571 1.546 19155 5336 1 12 . 1 1 41 41 GLU HA H 41 4.330 4.330 4.276 0.054 19155 5337 1 12 . 1 1 41 41 GLU C C 41 179.186 179.186 178.660 0.526 19155 5338 1 12 . 1 1 41 41 GLU CA C 41 59.444 59.444 58.899 0.545 19155 5339 1 12 . 1 1 41 41 GLU CB C 41 28.935 28.935 30.021 -1.086 19155 5340 1 12 . 1 1 41 41 GLU H H 41 7.895 7.895 7.900 -0.005 19155 5341 1 12 . 1 1 42 42 LEU N N 42 118.997 118.997 119.537 -0.540 19155 5342 1 12 . 1 1 42 42 LEU HA H 42 4.036 4.036 3.894 0.142 19155 5343 1 12 . 1 1 42 42 LEU C C 42 179.072 179.072 178.879 0.193 19155 5344 1 12 . 1 1 42 42 LEU CA C 42 58.028 58.028 57.958 0.070 19155 5345 1 12 . 1 1 42 42 LEU CB C 42 41.053 41.053 41.790 -0.737 19155 5346 1 12 . 1 1 42 42 LEU H H 42 8.915 8.915 8.476 0.439 19155 5347 1 12 . 1 1 43 43 ASN N N 43 117.439 117.439 117.087 0.352 19155 5348 1 12 . 1 1 43 43 ASN HA H 43 4.560 4.560 4.355 0.205 19155 5349 1 12 . 1 1 43 43 ASN C C 43 177.692 177.692 177.419 0.273 19155 5350 1 12 . 1 1 43 43 ASN CA C 43 56.224 56.224 56.275 -0.051 19155 5351 1 12 . 1 1 43 43 ASN CB C 43 38.241 38.241 37.883 0.358 19155 5352 1 12 . 1 1 43 43 ASN H H 43 8.436 8.436 8.571 -0.135 19155 5353 1 12 . 1 1 44 44 ASN N N 44 121.188 121.188 119.305 1.883 19155 5354 1 12 . 1 1 44 44 ASN HA H 44 4.647 4.647 4.665 -0.019 19155 5355 1 12 . 1 1 44 44 ASN C C 44 178.704 178.704 177.395 1.309 19155 5356 1 12 . 1 1 44 44 ASN CA C 44 56.233 56.233 55.374 0.859 19155 5357 1 12 . 1 1 44 44 ASN CB C 44 37.466 37.466 38.601 -1.135 19155 5358 1 12 . 1 1 44 44 ASN H H 44 8.079 8.079 7.765 0.314 19155 5359 1 12 . 1 1 45 45 ILE N N 45 124.315 124.315 121.387 2.928 19155 5360 1 12 . 1 1 45 45 ILE HA H 45 3.985 3.985 3.595 0.390 19155 5361 1 12 . 1 1 45 45 ILE C C 45 177.925 177.925 177.664 0.261 19155 5362 1 12 . 1 1 45 45 ILE CA C 45 65.578 65.578 65.727 -0.148 19155 5363 1 12 . 1 1 45 45 ILE CB C 45 38.903 38.903 37.557 1.346 19155 5364 1 12 . 1 1 45 45 ILE H H 45 8.533 8.533 8.330 0.203 19155 5365 1 12 . 1 1 46 46 LYS N N 46 119.624 119.624 119.837 -0.213 19155 5366 1 12 . 1 1 46 46 LYS HA H 46 3.743 3.743 3.871 -0.128 19155 5367 1 12 . 1 1 46 46 LYS C C 46 177.699 177.699 178.689 -0.990 19155 5368 1 12 . 1 1 46 46 LYS CA C 46 60.161 60.161 60.336 -0.175 19155 5369 1 12 . 1 1 46 46 LYS CB C 46 31.420 31.420 32.306 -0.886 19155 5370 1 12 . 1 1 46 46 LYS H H 46 8.660 8.660 8.299 0.361 19155 5371 1 12 . 1 1 47 47 ASN N N 47 116.034 116.034 118.036 -2.002 19155 5372 1 12 . 1 1 47 47 ASN HA H 47 4.468 4.468 4.387 0.081 19155 5373 1 12 . 1 1 47 47 ASN C C 47 177.768 177.768 177.279 0.489 19155 5374 1 12 . 1 1 47 47 ASN CA C 47 56.538 56.538 56.684 -0.146 19155 5375 1 12 . 1 1 47 47 ASN CB C 47 37.882 37.882 38.348 -0.466 19155 5376 1 12 . 1 1 47 47 ASN H H 47 8.344 8.344 8.383 -0.039 19155 5377 1 12 . 1 1 48 48 GLU N N 48 121.665 121.665 120.244 1.421 19155 5378 1 12 . 1 1 48 48 GLU HA H 48 4.044 4.044 4.054 -0.010 19155 5379 1 12 . 1 1 48 48 GLU C C 48 179.915 179.915 179.278 0.637 19155 5380 1 12 . 1 1 48 48 GLU CA C 48 59.444 59.444 59.537 -0.093 19155 5381 1 12 . 1 1 48 48 GLU CB C 48 29.230 29.230 29.885 -0.655 19155 5382 1 12 . 1 1 48 48 GLU H H 48 8.301 8.301 8.371 -0.070 19155 5383 1 12 . 1 1 49 49 TYR N N 49 117.600 117.600 119.028 -1.428 19155 5384 1 12 . 1 1 49 49 TYR HA H 49 3.992 3.992 4.310 -0.318 19155 5385 1 12 . 1 1 49 49 TYR C C 49 178.275 178.275 178.379 -0.104 19155 5386 1 12 . 1 1 49 49 TYR CA C 49 64.508 64.508 61.031 3.477 19155 5387 1 12 . 1 1 49 49 TYR CB C 49 37.881 37.881 38.517 -0.637 19155 5388 1 12 . 1 1 49 49 TYR H H 49 8.581 8.581 8.437 0.144 19155 5389 1 12 . 1 1 50 50 LEU N N 50 122.126 122.126 120.684 1.442 19155 5390 1 12 . 1 1 50 50 LEU HA H 50 4.181 4.181 3.807 0.374 19155 5391 1 12 . 1 1 50 50 LEU C C 50 180.089 180.089 178.568 1.521 19155 5392 1 12 . 1 1 50 50 LEU CA C 50 59.061 59.061 58.428 0.633 19155 5393 1 12 . 1 1 50 50 LEU CB C 50 40.096 40.096 41.507 -1.411 19155 5394 1 12 . 1 1 50 50 LEU H H 50 9.207 9.207 8.879 0.328 19155 5395 1 12 . 1 1 51 51 ASN N N 51 117.124 117.124 117.670 -0.546 19155 5396 1 12 . 1 1 51 51 ASN HA H 51 4.535 4.535 4.367 0.168 19155 5397 1 12 . 1 1 51 51 ASN C C 51 177.522 177.522 177.526 -0.004 19155 5398 1 12 . 1 1 51 51 ASN CA C 51 56.240 56.240 56.749 -0.509 19155 5399 1 12 . 1 1 51 51 ASN CB C 51 37.898 37.898 38.552 -0.654 19155 5400 1 12 . 1 1 51 51 ASN H H 51 7.634 7.634 8.325 -0.691 19155 5401 1 12 . 1 1 52 52 LYS N N 52 119.154 119.154 118.581 0.573 19155 5402 1 12 . 1 1 52 52 LYS HA H 52 4.037 4.037 4.097 -0.060 19155 5403 1 12 . 1 1 52 52 LYS C C 52 179.905 179.905 177.945 1.960 19155 5404 1 12 . 1 1 52 52 LYS CA C 52 59.803 59.803 58.618 1.185 19155 5405 1 12 . 1 1 52 52 LYS CB C 52 33.215 33.215 32.269 0.946 19155 5406 1 12 . 1 1 52 52 LYS H H 52 7.663 7.663 7.744 -0.081 19155 5407 1 12 . 1 1 53 53 ILE N N 53 121.662 121.662 120.921 0.741 19155 5408 1 12 . 1 1 53 53 ILE HA H 53 3.532 3.532 3.960 -0.428 19155 5409 1 12 . 1 1 53 53 ILE C C 53 178.489 178.489 177.617 0.872 19155 5410 1 12 . 1 1 53 53 ILE CA C 53 65.906 65.906 64.808 1.098 19155 5411 1 12 . 1 1 53 53 ILE CB C 53 38.249 38.249 38.666 -0.417 19155 5412 1 12 . 1 1 53 53 ILE H H 53 8.493 8.493 7.702 0.791 19155 5413 1 12 . 1 1 54 54 VAL N N 54 119.477 119.477 119.295 0.182 19155 5414 1 12 . 1 1 54 54 VAL HA H 54 3.647 3.647 3.771 -0.124 19155 5415 1 12 . 1 1 54 54 VAL C C 54 176.683 176.683 176.894 -0.211 19155 5416 1 12 . 1 1 54 54 VAL CA C 54 66.643 66.643 65.412 1.231 19155 5417 1 12 . 1 1 54 54 VAL CB C 54 31.448 31.448 32.216 -0.768 19155 5418 1 12 . 1 1 54 54 VAL H H 54 7.598 7.598 8.330 -0.732 19155 5419 1 12 . 1 1 55 55 GLU N N 55 114.467 114.467 117.673 -3.206 19155 5420 1 12 . 1 1 55 55 GLU HA H 55 4.281 4.281 4.463 -0.182 19155 5421 1 12 . 1 1 55 55 GLU C C 55 176.914 176.914 175.531 1.383 19155 5422 1 12 . 1 1 55 55 GLU CA C 55 56.195 56.195 55.387 0.808 19155 5423 1 12 . 1 1 55 55 GLU CB C 55 30.354 30.354 29.640 0.714 19155 5424 1 12 . 1 1 55 55 GLU H H 55 7.064 7.064 7.742 -0.678 19155 5425 1 12 . 1 1 56 56 SER N N 56 116.806 116.806 115.935 0.871 19155 5426 1 12 . 1 1 56 56 SER HA H 56 4.435 4.435 4.338 0.097 19155 5427 1 12 . 1 1 56 56 SER C C 56 175.566 175.566 175.322 0.244 19155 5428 1 12 . 1 1 56 56 SER CA C 56 60.163 60.163 59.453 0.710 19155 5429 1 12 . 1 1 56 56 SER CB C 56 64.439 64.439 64.035 0.404 19155 5430 1 12 . 1 1 56 56 SER H H 56 7.504 7.504 7.398 0.106 19155 5431 1 12 . 1 1 57 57 THR N N 57 111.347 111.347 118.555 -7.208 19155 5432 1 12 . 1 1 57 57 THR HA H 57 4.539 4.539 4.346 0.193 19155 5433 1 12 . 1 1 57 57 THR C C 57 174.424 174.424 173.906 0.518 19155 5434 1 12 . 1 1 57 57 THR CA C 57 61.518 61.518 62.225 -0.707 19155 5435 1 12 . 1 1 57 57 THR CB C 57 70.377 70.377 69.109 1.268 19155 5436 1 12 . 1 1 57 57 THR H H 57 9.083 9.083 8.685 0.398 19155 5437 1 12 . 1 1 58 58 SER N N 58 115.415 115.415 117.938 -2.523 19155 5438 1 12 . 1 1 58 58 SER HA H 58 5.059 5.059 4.749 0.310 19155 5439 1 12 . 1 1 58 58 SER C C 58 174.278 174.278 174.593 -0.315 19155 5440 1 12 . 1 1 58 58 SER CA C 58 56.928 56.928 57.574 -0.646 19155 5441 1 12 . 1 1 58 58 SER CB C 58 66.570 66.570 65.612 0.958 19155 5442 1 12 . 1 1 58 58 SER H H 58 7.689 7.689 7.832 -0.143 19155 5443 1 12 . 1 1 59 59 GLU N N 59 124.305 124.305 127.416 -3.111 19155 5444 1 12 . 1 1 59 59 GLU HA H 59 3.990 3.990 3.962 0.028 19155 5445 1 12 . 1 1 59 59 GLU C C 59 179.113 179.113 177.684 1.429 19155 5446 1 12 . 1 1 59 59 GLU CA C 59 60.159 60.159 59.749 0.410 19155 5447 1 12 . 1 1 59 59 GLU CB C 59 29.616 29.616 28.933 0.683 19155 5448 1 12 . 1 1 59 59 GLU H H 59 9.719 9.719 9.150 0.569 19155 5449 1 12 . 1 1 60 60 SER N N 60 115.406 115.406 112.893 2.513 19155 5450 1 12 . 1 1 60 60 SER HA H 60 4.249 4.249 4.506 -0.257 19155 5451 1 12 . 1 1 60 60 SER C C 60 177.307 177.307 175.782 1.525 19155 5452 1 12 . 1 1 60 60 SER CA C 60 61.259 61.259 59.935 1.324 19155 5453 1 12 . 1 1 60 60 SER CB C 60 61.960 61.960 62.838 -0.878 19155 5454 1 12 . 1 1 60 60 SER H H 60 8.614 8.614 8.430 0.184 19155 5455 1 12 . 1 1 61 61 GLN N N 61 121.656 121.656 121.382 0.274 19155 5456 1 12 . 1 1 61 61 GLN HA H 61 4.107 4.107 4.350 -0.243 19155 5457 1 12 . 1 1 61 61 GLN C C 61 178.777 178.777 177.637 1.140 19155 5458 1 12 . 1 1 61 61 GLN CA C 61 58.743 58.743 57.412 1.331 19155 5459 1 12 . 1 1 61 61 GLN CB C 61 28.900 28.900 29.744 -0.844 19155 5460 1 12 . 1 1 61 61 GLN H H 61 7.669 7.669 7.447 0.222 19155 5461 1 12 . 1 1 62 62 LEU N N 62 118.689 118.689 121.369 -2.680 19155 5462 1 12 . 1 1 62 62 LEU HA H 62 4.035 4.035 3.930 0.105 19155 5463 1 12 . 1 1 62 62 LEU C C 62 178.363 178.363 178.854 -0.491 19155 5464 1 12 . 1 1 62 62 LEU CA C 62 58.725 58.725 58.339 0.386 19155 5465 1 12 . 1 1 62 62 LEU CB C 62 41.836 41.836 41.941 -0.105 19155 5466 1 12 . 1 1 62 62 LEU H H 62 7.736 7.736 8.423 -0.687 19155 5467 1 12 . 1 1 63 63 GLN N N 63 117.441 117.441 116.475 0.966 19155 5468 1 12 . 1 1 63 63 GLN HA H 63 4.078 4.078 4.091 -0.013 19155 5469 1 12 . 1 1 63 63 GLN C C 63 179.312 179.312 177.533 1.779 19155 5470 1 12 . 1 1 63 63 GLN CA C 63 59.062 59.062 58.378 0.684 19155 5471 1 12 . 1 1 63 63 GLN CB C 63 27.819 27.819 28.588 -0.769 19155 5472 1 12 . 1 1 63 63 GLN H H 63 7.943 7.943 8.049 -0.106 19155 5473 1 12 . 1 1 64 64 ILE N N 64 120.406 120.406 119.158 1.248 19155 5474 1 12 . 1 1 64 64 ILE HA H 64 3.809 3.809 4.125 -0.316 19155 5475 1 12 . 1 1 64 64 ILE C C 64 178.734 178.734 177.398 1.336 19155 5476 1 12 . 1 1 64 64 ILE CA C 64 64.722 64.722 60.685 4.037 19155 5477 1 12 . 1 1 64 64 ILE CB C 64 37.971 37.971 37.859 0.112 19155 5478 1 12 . 1 1 64 64 ILE H H 64 7.544 7.544 7.612 -0.068 19155 5479 1 12 . 1 1 65 65 LEU N N 65 120.247 120.247 121.853 -1.606 19155 5480 1 12 . 1 1 65 65 LEU HA H 65 4.212 4.212 3.949 0.263 19155 5481 1 12 . 1 1 65 65 LEU C C 65 179.685 179.685 179.065 0.620 19155 5482 1 12 . 1 1 65 65 LEU CA C 65 58.004 58.004 58.713 -0.709 19155 5483 1 12 . 1 1 65 65 LEU CB C 65 42.553 42.553 41.440 1.113 19155 5484 1 12 . 1 1 65 65 LEU H H 65 8.361 8.361 8.352 0.009 19155 5485 1 12 . 1 1 66 66 MET N N 66 118.685 118.685 117.588 1.097 19155 5486 1 12 . 1 1 66 66 MET HA H 66 3.918 3.918 3.989 -0.071 19155 5487 1 12 . 1 1 66 66 MET C C 66 178.906 178.906 178.425 0.481 19155 5488 1 12 . 1 1 66 66 MET CA C 66 59.467 59.467 59.576 -0.109 19155 5489 1 12 . 1 1 66 66 MET CB C 66 33.519 33.519 32.373 1.146 19155 5490 1 12 . 1 1 66 66 MET H H 66 8.458 8.458 7.659 0.799 19155 5491 1 12 . 1 1 67 67 MET N N 67 118.685 118.685 117.242 1.443 19155 5492 1 12 . 1 1 67 67 MET HA H 67 4.098 4.098 4.083 0.015 19155 5493 1 12 . 1 1 67 67 MET C C 67 178.781 178.781 178.734 0.047 19155 5494 1 12 . 1 1 67 67 MET CA C 67 58.379 58.379 57.051 1.328 19155 5495 1 12 . 1 1 67 67 MET CB C 67 32.031 32.031 30.688 1.343 19155 5496 1 12 . 1 1 67 67 MET H H 67 7.559 7.559 7.714 -0.155 19155 5497 1 12 . 1 1 68 68 GLU N N 68 122.128 122.128 120.525 1.603 19155 5498 1 12 . 1 1 68 68 GLU HA H 68 3.990 3.990 4.003 -0.013 19155 5499 1 12 . 1 1 68 68 GLU C C 68 178.803 178.803 179.302 -0.499 19155 5500 1 12 . 1 1 68 68 GLU CA C 68 59.459 59.459 59.708 -0.249 19155 5501 1 12 . 1 1 68 68 GLU CB C 68 30.706 30.706 29.034 1.673 19155 5502 1 12 . 1 1 68 68 GLU H H 68 8.895 8.895 8.647 0.248 19155 5503 1 12 . 1 1 69 69 SER N N 69 114.769 114.769 116.236 -1.467 19155 5504 1 12 . 1 1 69 69 SER HA H 69 2.872 2.872 3.789 -0.917 19155 5505 1 12 . 1 1 69 69 SER C C 69 175.801 175.801 176.673 -0.872 19155 5506 1 12 . 1 1 69 69 SER CA C 69 62.000 62.000 61.984 0.016 19155 5507 1 12 . 1 1 69 69 SER CB C 69 62.282 62.282 62.757 -0.475 19155 5508 1 12 . 1 1 69 69 SER H H 69 8.161 8.161 8.213 -0.052 19155 5509 1 12 . 1 1 70 70 ARG N N 70 120.552 120.552 121.329 -0.777 19155 5510 1 12 . 1 1 70 70 ARG HA H 70 3.744 3.744 3.722 0.022 19155 5511 1 12 . 1 1 70 70 ARG C C 70 177.654 177.654 178.443 -0.789 19155 5512 1 12 . 1 1 70 70 ARG CA C 70 59.793 59.793 59.460 0.333 19155 5513 1 12 . 1 1 70 70 ARG CB C 70 29.974 29.974 29.820 0.154 19155 5514 1 12 . 1 1 70 70 ARG H H 70 6.945 6.945 8.184 -1.239 19155 5515 1 12 . 1 1 71 71 SER N N 71 113.064 113.064 115.270 -2.206 19155 5516 1 12 . 1 1 71 71 SER HA H 71 4.275 4.275 4.152 0.123 19155 5517 1 12 . 1 1 71 71 SER C C 71 177.491 177.491 176.196 1.295 19155 5518 1 12 . 1 1 71 71 SER CA C 71 61.571 61.571 61.816 -0.245 19155 5519 1 12 . 1 1 71 71 SER CB C 71 62.710 62.710 62.928 -0.218 19155 5520 1 12 . 1 1 71 71 SER H H 71 7.721 7.721 8.428 -0.707 19155 5521 1 12 . 1 1 72 72 LYS N N 72 121.657 121.657 121.468 0.189 19155 5522 1 12 . 1 1 72 72 LYS HA H 72 4.170 4.170 4.044 0.126 19155 5523 1 12 . 1 1 72 72 LYS C C 72 180.429 180.429 179.177 1.252 19155 5524 1 12 . 1 1 72 72 LYS CA C 72 58.725 58.725 59.389 -0.664 19155 5525 1 12 . 1 1 72 72 LYS CB C 72 32.131 32.131 32.313 -0.182 19155 5526 1 12 . 1 1 72 72 LYS H H 72 8.414 8.414 7.798 0.616 19155 5527 1 12 . 1 1 73 73 VAL N N 73 123.222 123.222 121.175 2.047 19155 5528 1 12 . 1 1 73 73 VAL HA H 73 3.598 3.598 3.615 -0.017 19155 5529 1 12 . 1 1 73 73 VAL C C 73 176.929 176.929 177.582 -0.653 19155 5530 1 12 . 1 1 73 73 VAL CA C 73 66.975 66.975 67.114 -0.139 19155 5531 1 12 . 1 1 73 73 VAL CB C 73 31.704 31.704 31.720 -0.016 19155 5532 1 12 . 1 1 73 73 VAL H H 73 8.421 8.421 8.523 -0.102 19155 5533 1 12 . 1 1 74 74 ASP N N 74 120.101 120.101 119.794 0.307 19155 5534 1 12 . 1 1 74 74 ASP HA H 74 4.393 4.393 4.384 0.009 19155 5535 1 12 . 1 1 74 74 ASP C C 74 180.001 180.001 178.745 1.256 19155 5536 1 12 . 1 1 74 74 ASP CA C 74 57.324 57.324 57.650 -0.326 19155 5537 1 12 . 1 1 74 74 ASP CB C 74 39.326 39.326 40.601 -1.275 19155 5538 1 12 . 1 1 74 74 ASP H H 74 8.674 8.674 7.879 0.795 19155 5539 1 12 . 1 1 75 75 GLU N N 75 121.349 121.349 120.369 0.980 19155 5540 1 12 . 1 1 75 75 GLU HA H 75 4.113 4.113 3.996 0.117 19155 5541 1 12 . 1 1 75 75 GLU C C 75 178.732 178.732 178.569 0.163 19155 5542 1 12 . 1 1 75 75 GLU CA C 75 59.083 59.083 59.559 -0.476 19155 5543 1 12 . 1 1 75 75 GLU CB C 75 29.975 29.975 29.737 0.238 19155 5544 1 12 . 1 1 75 75 GLU H H 75 8.475 8.475 8.363 0.112 19155 5545 1 12 . 1 1 76 76 ALA N N 76 124.160 124.160 122.181 1.979 19155 5546 1 12 . 1 1 76 76 ALA HA H 76 4.281 4.281 4.094 0.187 19155 5547 1 12 . 1 1 76 76 ALA C C 76 179.906 179.906 180.049 -0.143 19155 5548 1 12 . 1 1 76 76 ALA CA C 76 55.530 55.530 55.168 0.362 19155 5549 1 12 . 1 1 76 76 ALA CB C 76 17.424 17.424 18.357 -0.933 19155 5550 1 12 . 1 1 76 76 ALA H H 76 7.944 7.944 7.989 -0.045 19155 5551 1 12 . 1 1 77 77 VAL N N 77 117.439 117.439 118.725 -1.286 19155 5552 1 12 . 1 1 77 77 VAL HA H 77 3.644 3.644 3.557 0.087 19155 5553 1 12 . 1 1 77 77 VAL C C 77 178.784 178.784 178.252 0.532 19155 5554 1 12 . 1 1 77 77 VAL CA C 77 66.958 66.958 66.989 -0.031 19155 5555 1 12 . 1 1 77 77 VAL CB C 77 31.807 31.807 31.724 0.083 19155 5556 1 12 . 1 1 77 77 VAL H H 77 8.204 8.204 8.411 -0.207 19155 5557 1 12 . 1 1 78 78 SER N N 78 113.687 113.687 114.318 -0.631 19155 5558 1 12 . 1 1 78 78 SER HA H 78 4.266 4.266 4.163 0.103 19155 5559 1 12 . 1 1 78 78 SER C C 78 176.762 176.762 176.208 0.554 19155 5560 1 12 . 1 1 78 78 SER CA C 78 61.241 61.241 61.672 -0.431 19155 5561 1 12 . 1 1 78 78 SER CB C 78 62.678 62.678 63.016 -0.338 19155 5562 1 12 . 1 1 78 78 SER H H 78 7.935 7.935 8.295 -0.360 19155 5563 1 12 . 1 1 79 79 LYS N N 79 121.029 121.029 121.085 -0.056 19155 5564 1 12 . 1 1 79 79 LYS HA H 79 4.070 4.070 3.955 0.115 19155 5565 1 12 . 1 1 79 79 LYS C C 79 178.135 178.135 178.471 -0.336 19155 5566 1 12 . 1 1 79 79 LYS CA C 79 58.723 58.723 59.156 -0.433 19155 5567 1 12 . 1 1 79 79 LYS CB C 79 32.489 32.489 32.353 0.136 19155 5568 1 12 . 1 1 79 79 LYS H H 79 7.989 7.989 7.977 0.012 19155 5569 1 12 . 1 1 80 80 PHE N N 80 117.437 117.437 117.796 -0.359 19155 5570 1 12 . 1 1 80 80 PHE HA H 80 4.490 4.490 4.450 0.040 19155 5571 1 12 . 1 1 80 80 PHE C C 80 176.236 176.236 177.397 -1.161 19155 5572 1 12 . 1 1 80 80 PHE CA C 80 59.444 59.444 60.590 -1.146 19155 5573 1 12 . 1 1 80 80 PHE CB C 80 40.032 40.032 39.639 0.393 19155 5574 1 12 . 1 1 80 80 PHE H H 80 7.838 7.838 7.760 0.078 19155 5575 1 12 . 1 1 81 81 GLU N N 81 120.092 120.092 117.640 2.452 19155 5576 1 12 . 1 1 81 81 GLU HA H 81 4.290 4.290 4.373 -0.083 19155 5577 1 12 . 1 1 81 81 GLU C C 81 175.715 175.715 177.029 -1.314 19155 5578 1 12 . 1 1 81 81 GLU CA C 81 56.928 56.928 56.394 0.534 19155 5579 1 12 . 1 1 81 81 GLU CB C 81 29.997 29.997 30.095 -0.098 19155 5580 1 12 . 1 1 81 81 GLU H H 81 7.864 7.864 8.264 -0.400 19155 5581 1 13 . 1 1 2 2 ASP N N 2 119.961 119.961 120.709 -0.748 19155 5582 1 13 . 1 1 2 2 ASP HA H 2 4.440 4.440 4.255 0.185 19155 5583 1 13 . 1 1 2 2 ASP C C 2 178.594 178.594 177.850 0.744 19155 5584 1 13 . 1 1 2 2 ASP CA C 2 57.997 57.997 58.013 -0.016 19155 5585 1 13 . 1 1 2 2 ASP CB C 2 40.098 40.098 40.191 -0.093 19155 5586 1 13 . 1 1 2 2 ASP H H 2 8.260 8.260 8.741 -0.481 19155 5587 1 13 . 1 1 3 3 SER N N 3 115.401 115.401 114.150 1.251 19155 5588 1 13 . 1 1 3 3 SER HA H 3 4.358 4.358 4.192 0.166 19155 5589 1 13 . 1 1 3 3 SER C C 3 177.657 177.657 176.724 0.933 19155 5590 1 13 . 1 1 3 3 SER CA C 3 60.656 60.656 61.403 -0.747 19155 5591 1 13 . 1 1 3 3 SER CB C 3 62.319 62.319 62.731 -0.412 19155 5592 1 13 . 1 1 3 3 SER H H 3 8.112 8.112 8.354 -0.242 19155 5593 1 13 . 1 1 4 4 GLU N N 4 122.287 122.287 122.777 -0.490 19155 5594 1 13 . 1 1 4 4 GLU HA H 4 4.045 4.045 4.067 -0.022 19155 5595 1 13 . 1 1 4 4 GLU C C 4 180.035 180.035 178.543 1.492 19155 5596 1 13 . 1 1 4 4 GLU CA C 4 59.072 59.072 59.348 -0.276 19155 5597 1 13 . 1 1 4 4 GLU CB C 4 28.538 28.538 29.497 -0.959 19155 5598 1 13 . 1 1 4 4 GLU H H 4 8.472 8.472 7.498 0.974 19155 5599 1 13 . 1 1 5 5 ARG N N 5 121.026 121.026 118.665 2.361 19155 5600 1 13 . 1 1 5 5 ARG HA H 5 3.894 3.894 4.104 -0.210 19155 5601 1 13 . 1 1 5 5 ARG C C 5 178.298 178.298 178.573 -0.275 19155 5602 1 13 . 1 1 5 5 ARG CA C 5 60.564 60.564 59.082 1.482 19155 5603 1 13 . 1 1 5 5 ARG CB C 5 30.681 30.681 29.861 0.820 19155 5604 1 13 . 1 1 5 5 ARG H H 5 8.771 8.771 8.425 0.346 19155 5605 1 13 . 1 1 6 6 ASP N N 6 119.775 119.775 120.745 -0.970 19155 5606 1 13 . 1 1 6 6 ASP HA H 6 4.455 4.455 4.460 -0.005 19155 5607 1 13 . 1 1 6 6 ASP C C 6 178.676 178.676 178.130 0.546 19155 5608 1 13 . 1 1 6 6 ASP CA C 6 57.956 57.956 57.293 0.663 19155 5609 1 13 . 1 1 6 6 ASP CB C 6 40.774 40.774 40.722 0.051 19155 5610 1 13 . 1 1 6 6 ASP H H 6 7.889 7.889 8.610 -0.721 19155 5611 1 13 . 1 1 7 7 LYS N N 7 119.937 119.937 120.036 -0.099 19155 5612 1 13 . 1 1 7 7 LYS HA H 7 4.014 4.014 3.872 0.142 19155 5613 1 13 . 1 1 7 7 LYS C C 7 178.977 178.977 178.923 0.054 19155 5614 1 13 . 1 1 7 7 LYS CA C 7 59.793 59.793 59.953 -0.160 19155 5615 1 13 . 1 1 7 7 LYS CB C 7 32.850 32.850 32.392 0.458 19155 5616 1 13 . 1 1 7 7 LYS H H 7 7.950 7.950 7.967 -0.017 19155 5617 1 13 . 1 1 8 8 ALA N N 8 122.436 122.436 121.374 1.062 19155 5618 1 13 . 1 1 8 8 ALA HA H 8 4.478 4.478 4.132 0.346 19155 5619 1 13 . 1 1 8 8 ALA C C 8 178.764 178.764 179.479 -0.715 19155 5620 1 13 . 1 1 8 8 ALA CA C 8 55.168 55.168 55.032 0.136 19155 5621 1 13 . 1 1 8 8 ALA CB C 8 19.502 19.502 18.513 0.989 19155 5622 1 13 . 1 1 8 8 ALA H H 8 7.976 7.976 8.382 -0.406 19155 5623 1 13 . 1 1 9 9 ARG N N 9 118.059 118.059 117.381 0.678 19155 5624 1 13 . 1 1 9 9 ARG HA H 9 3.801 3.801 4.089 -0.288 19155 5625 1 13 . 1 1 9 9 ARG C C 9 177.874 177.874 178.571 -0.697 19155 5626 1 13 . 1 1 9 9 ARG CA C 9 59.794 59.794 59.167 0.627 19155 5627 1 13 . 1 1 9 9 ARG CB C 9 29.989 29.989 29.822 0.167 19155 5628 1 13 . 1 1 9 9 ARG H H 9 8.489 8.489 8.153 0.336 19155 5629 1 13 . 1 1 10 10 LYS N N 10 118.064 118.064 119.542 -1.478 19155 5630 1 13 . 1 1 10 10 LYS HA H 10 4.138 4.138 4.072 0.066 19155 5631 1 13 . 1 1 10 10 LYS C C 10 178.619 178.619 179.072 -0.453 19155 5632 1 13 . 1 1 10 10 LYS CA C 10 59.421 59.421 58.887 0.534 19155 5633 1 13 . 1 1 10 10 LYS CB C 10 32.467 32.467 31.797 0.670 19155 5634 1 13 . 1 1 10 10 LYS H H 10 7.833 7.833 8.662 -0.829 19155 5635 1 13 . 1 1 11 11 GLU N N 11 118.845 118.845 119.877 -1.032 19155 5636 1 13 . 1 1 11 11 GLU HA H 11 4.107 4.107 4.143 -0.036 19155 5637 1 13 . 1 1 11 11 GLU C C 11 180.137 180.137 179.051 1.086 19155 5638 1 13 . 1 1 11 11 GLU CA C 11 59.803 59.803 59.605 0.198 19155 5639 1 13 . 1 1 11 11 GLU CB C 11 29.248 29.248 29.403 -0.155 19155 5640 1 13 . 1 1 11 11 GLU H H 11 7.991 7.991 8.296 -0.305 19155 5641 1 13 . 1 1 12 12 VAL N N 12 120.562 120.562 116.655 3.907 19155 5642 1 13 . 1 1 12 12 VAL HA H 12 3.851 3.851 3.867 -0.016 19155 5643 1 13 . 1 1 12 12 VAL C C 12 178.182 178.182 177.927 0.255 19155 5644 1 13 . 1 1 12 12 VAL CA C 12 66.625 66.625 65.866 0.759 19155 5645 1 13 . 1 1 12 12 VAL CB C 12 31.784 31.784 31.395 0.389 19155 5646 1 13 . 1 1 12 12 VAL H H 12 8.173 8.173 7.610 0.563 19155 5647 1 13 . 1 1 13 13 GLU N N 13 117.912 117.912 121.429 -3.517 19155 5648 1 13 . 1 1 13 13 GLU HA H 13 3.841 3.841 3.942 -0.101 19155 5649 1 13 . 1 1 13 13 GLU C C 13 179.959 179.959 178.736 1.223 19155 5650 1 13 . 1 1 13 13 GLU CA C 13 60.498 60.498 60.340 0.159 19155 5651 1 13 . 1 1 13 13 GLU CB C 13 30.014 30.014 29.369 0.645 19155 5652 1 13 . 1 1 13 13 GLU H H 13 8.624 8.624 8.648 -0.024 19155 5653 1 13 . 1 1 14 14 GLU N N 14 117.909 117.909 119.171 -1.262 19155 5654 1 13 . 1 1 14 14 GLU HA H 14 4.025 4.025 4.033 -0.008 19155 5655 1 13 . 1 1 14 14 GLU C C 14 179.020 179.020 178.972 0.048 19155 5656 1 13 . 1 1 14 14 GLU CA C 14 59.442 59.442 59.085 0.357 19155 5657 1 13 . 1 1 14 14 GLU CB C 14 29.257 29.257 29.109 0.148 19155 5658 1 13 . 1 1 14 14 GLU H H 14 8.904 8.904 8.362 0.542 19155 5659 1 13 . 1 1 15 15 TYR N N 15 122.592 122.592 121.328 1.264 19155 5660 1 13 . 1 1 15 15 TYR HA H 15 4.359 4.359 4.154 0.205 19155 5661 1 13 . 1 1 15 15 TYR C C 15 177.581 177.581 177.589 -0.008 19155 5662 1 13 . 1 1 15 15 TYR CA C 15 62.430 62.430 62.089 0.341 19155 5663 1 13 . 1 1 15 15 TYR CB C 15 38.541 38.541 39.030 -0.489 19155 5664 1 13 . 1 1 15 15 TYR H H 15 8.170 8.170 8.167 0.003 19155 5665 1 13 . 1 1 16 16 VAL N N 16 116.497 116.497 119.019 -2.522 19155 5666 1 13 . 1 1 16 16 VAL HA H 16 3.386 3.386 3.451 -0.065 19155 5667 1 13 . 1 1 16 16 VAL C C 16 177.221 177.221 177.580 -0.359 19155 5668 1 13 . 1 1 16 16 VAL CA C 16 68.053 68.053 66.952 1.101 19155 5669 1 13 . 1 1 16 16 VAL CB C 16 31.427 31.427 31.874 -0.447 19155 5670 1 13 . 1 1 16 16 VAL H H 16 7.953 7.953 8.441 -0.488 19155 5671 1 13 . 1 1 17 17 LYS N N 17 118.530 118.530 118.647 -0.117 19155 5672 1 13 . 1 1 17 17 LYS HA H 17 3.922 3.922 4.018 -0.096 19155 5673 1 13 . 1 1 17 17 LYS C C 17 179.742 179.742 178.420 1.322 19155 5674 1 13 . 1 1 17 17 LYS CA C 17 60.145 60.145 59.086 1.059 19155 5675 1 13 . 1 1 17 17 LYS CB C 17 32.827 32.827 31.544 1.283 19155 5676 1 13 . 1 1 17 17 LYS H H 17 8.274 8.274 8.140 0.134 19155 5677 1 13 . 1 1 18 18 LYS N N 18 121.031 121.031 120.906 0.125 19155 5678 1 13 . 1 1 18 18 LYS HA H 18 4.018 4.018 4.007 0.011 19155 5679 1 13 . 1 1 18 18 LYS C C 18 178.962 178.962 178.214 0.748 19155 5680 1 13 . 1 1 18 18 LYS CA C 18 59.085 59.085 59.500 -0.415 19155 5681 1 13 . 1 1 18 18 LYS CB C 18 32.132 32.132 32.407 -0.275 19155 5682 1 13 . 1 1 18 18 LYS H H 18 7.946 7.946 7.915 0.031 19155 5683 1 13 . 1 1 19 19 ILE N N 19 120.718 120.718 119.427 1.291 19155 5684 1 13 . 1 1 19 19 ILE HA H 19 3.727 3.727 3.732 -0.005 19155 5685 1 13 . 1 1 19 19 ILE C C 19 172.120 172.120 178.462 -6.342 19155 5686 1 13 . 1 1 19 19 ILE CA C 19 62.128 62.128 63.895 -1.767 19155 5687 1 13 . 1 1 19 19 ILE CB C 19 35.988 35.988 36.880 -0.892 19155 5688 1 13 . 1 1 19 19 ILE H H 19 7.796 7.796 8.020 -0.224 19155 5689 1 13 . 1 1 20 20 VAL N N 20 124.792 124.792 121.205 3.587 19155 5690 1 13 . 1 1 20 20 VAL HA H 20 3.312 3.312 3.596 -0.284 19155 5691 1 13 . 1 1 20 20 VAL C C 20 177.873 177.873 178.055 -0.182 19155 5692 1 13 . 1 1 20 20 VAL CA C 20 67.738 67.738 67.519 0.219 19155 5693 1 13 . 1 1 20 20 VAL CB C 20 31.772 31.772 31.014 0.758 19155 5694 1 13 . 1 1 20 20 VAL H H 20 9.190 9.190 8.474 0.716 19155 5695 1 13 . 1 1 21 21 GLY N N 21 106.034 106.034 106.856 -0.822 19155 5696 1 13 . 1 1 21 21 GLY C C 21 177.470 177.470 176.257 1.213 19155 5697 1 13 . 1 1 21 21 GLY CA C 21 47.226 47.226 47.370 -0.144 19155 5698 1 13 . 1 1 21 21 GLY H H 21 8.117 8.117 7.854 0.263 19155 5699 1 13 . 1 1 22 22 GLU N N 22 122.282 122.282 121.164 1.118 19155 5700 1 13 . 1 1 22 22 GLU HA H 22 4.104 4.104 4.113 -0.009 19155 5701 1 13 . 1 1 22 22 GLU C C 22 178.827 178.827 178.932 -0.105 19155 5702 1 13 . 1 1 22 22 GLU CA C 22 59.016 59.016 58.729 0.287 19155 5703 1 13 . 1 1 22 22 GLU CB C 22 29.619 29.619 29.084 0.535 19155 5704 1 13 . 1 1 22 22 GLU H H 22 8.197 8.197 8.564 -0.367 19155 5705 1 13 . 1 1 23 23 SER N N 23 116.812 116.812 116.876 -0.064 19155 5706 1 13 . 1 1 23 23 SER HA H 23 4.201 4.201 4.205 -0.004 19155 5707 1 13 . 1 1 23 23 SER C C 23 177.084 177.084 176.536 0.548 19155 5708 1 13 . 1 1 23 23 SER CA C 23 61.998 61.998 61.582 0.416 19155 5709 1 13 . 1 1 23 23 SER CB C 23 62.105 62.105 62.976 -0.871 19155 5710 1 13 . 1 1 23 23 SER H H 23 8.285 8.285 8.046 0.239 19155 5711 1 13 . 1 1 24 24 TYR N N 24 120.879 120.879 121.127 -0.248 19155 5712 1 13 . 1 1 24 24 TYR HA H 24 4.396 4.396 4.410 -0.014 19155 5713 1 13 . 1 1 24 24 TYR C C 24 178.846 178.846 177.030 1.816 19155 5714 1 13 . 1 1 24 24 TYR CA C 24 61.189 61.189 61.356 -0.167 19155 5715 1 13 . 1 1 24 24 TYR CB C 24 37.866 37.866 38.254 -0.388 19155 5716 1 13 . 1 1 24 24 TYR H H 24 8.254 8.254 8.111 0.143 19155 5717 1 13 . 1 1 25 25 ALA N N 25 122.124 122.124 119.470 2.654 19155 5718 1 13 . 1 1 25 25 ALA HA H 25 4.251 4.251 4.158 0.093 19155 5719 1 13 . 1 1 25 25 ALA C C 25 178.999 178.999 178.260 0.739 19155 5720 1 13 . 1 1 25 25 ALA CA C 25 54.608 54.608 54.247 0.361 19155 5721 1 13 . 1 1 25 25 ALA CB C 25 18.108 18.108 18.958 -0.850 19155 5722 1 13 . 1 1 25 25 ALA H H 25 8.018 8.018 8.213 -0.195 19155 5723 1 13 . 1 1 26 26 LYS N N 26 115.251 115.251 117.944 -2.693 19155 5724 1 13 . 1 1 26 26 LYS HA H 26 4.459 4.459 4.360 0.099 19155 5725 1 13 . 1 1 26 26 LYS C C 26 176.598 176.598 177.391 -0.793 19155 5726 1 13 . 1 1 26 26 LYS CA C 26 56.209 56.209 55.978 0.231 19155 5727 1 13 . 1 1 26 26 LYS CB C 26 33.191 33.191 33.163 0.028 19155 5728 1 13 . 1 1 26 26 LYS H H 26 7.533 7.533 8.004 -0.471 19155 5729 1 13 . 1 1 27 27 SER N N 27 115.400 115.400 116.513 -1.113 19155 5730 1 13 . 1 1 27 27 SER HA H 27 4.332 4.332 4.531 -0.199 19155 5731 1 13 . 1 1 27 27 SER C C 27 174.768 174.768 173.456 1.312 19155 5732 1 13 . 1 1 27 27 SER CA C 27 58.808 58.808 58.051 0.757 19155 5733 1 13 . 1 1 27 27 SER CB C 27 63.397 63.397 64.857 -1.460 19155 5734 1 13 . 1 1 27 27 SER H H 27 7.570 7.570 8.130 -0.560 19155 5735 1 13 . 1 1 28 28 THR N N 28 114.468 114.468 112.945 1.523 19155 5736 1 13 . 1 1 28 28 THR HA H 28 4.649 4.649 4.703 -0.054 19155 5737 1 13 . 1 1 28 28 THR CA C 28 60.242 60.242 60.798 -0.556 19155 5738 1 13 . 1 1 28 28 THR CB C 28 71.544 71.544 70.979 0.565 19155 5739 1 13 . 1 1 28 28 THR H H 28 7.725 7.725 8.252 -0.527 19155 5740 1 13 . 1 1 29 29 LYS HA H 29 4.300 4.300 4.035 0.265 19155 5741 1 13 . 1 1 29 29 LYS CA C 29 57.974 57.974 59.401 -1.427 19155 5742 1 13 . 1 1 29 29 LYS CB C 29 32.820 32.820 31.962 0.858 19155 5743 1 13 . 1 1 30 30 LYS HA H 30 4.154 4.154 4.225 -0.071 19155 5744 1 13 . 1 1 30 30 LYS CA C 30 58.725 58.725 57.912 0.813 19155 5745 1 13 . 1 1 31 31 ARG HA H 31 4.533 4.533 4.698 -0.165 19155 5746 1 13 . 1 1 31 31 ARG CA C 31 56.137 56.137 55.251 0.886 19155 5747 1 13 . 1 1 31 31 ARG CB C 31 31.003 31.003 30.335 0.667 19155 5748 1 13 . 1 1 32 32 HIS HA H 32 4.570 4.570 4.309 0.261 19155 5749 1 13 . 1 1 32 32 HIS C C 32 176.136 176.136 177.191 -1.055 19155 5750 1 13 . 1 1 32 32 HIS CA C 32 58.689 58.689 58.957 -0.268 19155 5751 1 13 . 1 1 32 32 HIS CB C 32 30.731 30.731 29.299 1.432 19155 5752 1 13 . 1 1 33 33 THR N N 33 111.162 111.162 115.534 -4.372 19155 5753 1 13 . 1 1 33 33 THR HA H 33 3.976 3.976 3.634 0.342 19155 5754 1 13 . 1 1 33 33 THR C C 33 176.807 176.807 175.561 1.246 19155 5755 1 13 . 1 1 33 33 THR CA C 33 65.194 65.194 65.256 -0.062 19155 5756 1 13 . 1 1 33 33 THR CB C 33 68.428 68.428 67.908 0.520 19155 5757 1 13 . 1 1 33 33 THR H H 33 8.355 8.355 7.679 0.676 19155 5758 1 13 . 1 1 34 34 ILE N N 34 123.220 123.220 120.842 2.378 19155 5759 1 13 . 1 1 34 34 ILE HA H 34 4.047 4.047 3.937 0.110 19155 5760 1 13 . 1 1 34 34 ILE C C 34 176.944 176.944 177.592 -0.648 19155 5761 1 13 . 1 1 34 34 ILE CA C 34 63.746 63.746 64.343 -0.597 19155 5762 1 13 . 1 1 34 34 ILE CB C 34 37.905 37.905 36.450 1.455 19155 5763 1 13 . 1 1 34 34 ILE H H 34 7.824 7.824 7.911 -0.087 19155 5764 1 13 . 1 1 35 35 THR N N 35 118.694 118.694 116.551 2.143 19155 5765 1 13 . 1 1 35 35 THR HA H 35 4.103 4.103 3.798 0.305 19155 5766 1 13 . 1 1 35 35 THR C C 35 175.385 175.385 176.795 -1.410 19155 5767 1 13 . 1 1 35 35 THR CA C 35 63.339 63.339 65.669 -2.330 19155 5768 1 13 . 1 1 35 35 THR CB C 35 68.428 68.428 67.769 0.659 19155 5769 1 13 . 1 1 35 35 THR H H 35 8.053 8.053 7.357 0.696 19155 5770 1 13 . 1 1 36 36 VAL N N 36 120.252 120.252 122.038 -1.786 19155 5771 1 13 . 1 1 36 36 VAL HA H 36 3.494 3.494 3.605 -0.111 19155 5772 1 13 . 1 1 36 36 VAL C C 36 177.667 177.667 177.922 -0.255 19155 5773 1 13 . 1 1 36 36 VAL CA C 36 66.312 66.312 66.391 -0.079 19155 5774 1 13 . 1 1 36 36 VAL CB C 36 31.787 31.787 30.683 1.104 19155 5775 1 13 . 1 1 36 36 VAL H H 36 8.148 8.148 7.964 0.184 19155 5776 1 13 . 1 1 37 37 ALA N N 37 121.815 121.815 122.275 -0.460 19155 5777 1 13 . 1 1 37 37 ALA HA H 37 4.168 4.168 4.151 0.017 19155 5778 1 13 . 1 1 37 37 ALA C C 37 180.404 180.404 179.811 0.593 19155 5779 1 13 . 1 1 37 37 ALA CA C 37 55.062 55.062 55.201 -0.139 19155 5780 1 13 . 1 1 37 37 ALA CB C 37 18.114 18.114 18.595 -0.481 19155 5781 1 13 . 1 1 37 37 ALA H H 37 7.526 7.526 8.153 -0.627 19155 5782 1 13 . 1 1 38 38 LEU N N 38 122.124 122.124 119.513 2.611 19155 5783 1 13 . 1 1 38 38 LEU HA H 38 3.574 3.574 3.170 0.404 19155 5784 1 13 . 1 1 38 38 LEU C C 38 177.815 177.815 178.249 -0.434 19155 5785 1 13 . 1 1 38 38 LEU CA C 38 57.671 57.671 56.869 0.802 19155 5786 1 13 . 1 1 38 38 LEU CB C 38 40.383 40.383 41.446 -1.063 19155 5787 1 13 . 1 1 38 38 LEU H H 38 7.987 7.987 8.054 -0.067 19155 5788 1 13 . 1 1 39 39 VAL N N 39 119.627 119.627 120.128 -0.501 19155 5789 1 13 . 1 1 39 39 VAL HA H 39 3.295 3.295 3.450 -0.155 19155 5790 1 13 . 1 1 39 39 VAL C C 39 178.084 178.084 177.786 0.298 19155 5791 1 13 . 1 1 39 39 VAL CA C 39 67.710 67.710 66.894 0.816 19155 5792 1 13 . 1 1 39 39 VAL CB C 39 31.393 31.393 30.820 0.573 19155 5793 1 13 . 1 1 39 39 VAL H H 39 8.410 8.410 8.556 -0.146 19155 5794 1 13 . 1 1 40 40 ASN N N 40 117.904 117.904 117.893 0.011 19155 5795 1 13 . 1 1 40 40 ASN HA H 40 4.528 4.528 4.402 0.126 19155 5796 1 13 . 1 1 40 40 ASN C C 40 177.814 177.814 177.927 -0.113 19155 5797 1 13 . 1 1 40 40 ASN CA C 40 56.214 56.214 56.497 -0.283 19155 5798 1 13 . 1 1 40 40 ASN CB C 40 37.990 37.990 38.014 -0.024 19155 5799 1 13 . 1 1 40 40 ASN H H 40 8.211 8.211 7.970 0.241 19155 5800 1 13 . 1 1 41 41 GLU N N 41 122.117 122.117 120.797 1.320 19155 5801 1 13 . 1 1 41 41 GLU HA H 41 4.330 4.330 4.209 0.121 19155 5802 1 13 . 1 1 41 41 GLU C C 41 179.186 179.186 178.468 0.718 19155 5803 1 13 . 1 1 41 41 GLU CA C 41 59.444 59.444 58.647 0.797 19155 5804 1 13 . 1 1 41 41 GLU CB C 41 28.935 28.935 29.359 -0.424 19155 5805 1 13 . 1 1 41 41 GLU H H 41 7.895 7.895 7.427 0.468 19155 5806 1 13 . 1 1 42 42 LEU N N 42 118.997 118.997 119.495 -0.498 19155 5807 1 13 . 1 1 42 42 LEU HA H 42 4.036 4.036 3.841 0.195 19155 5808 1 13 . 1 1 42 42 LEU C C 42 179.072 179.072 178.734 0.338 19155 5809 1 13 . 1 1 42 42 LEU CA C 42 58.028 58.028 58.621 -0.593 19155 5810 1 13 . 1 1 42 42 LEU CB C 42 41.053 41.053 41.842 -0.789 19155 5811 1 13 . 1 1 42 42 LEU H H 42 8.915 8.915 8.578 0.337 19155 5812 1 13 . 1 1 43 43 ASN N N 43 117.439 117.439 115.628 1.811 19155 5813 1 13 . 1 1 43 43 ASN HA H 43 4.560 4.560 4.481 0.079 19155 5814 1 13 . 1 1 43 43 ASN C C 43 177.692 177.692 177.056 0.636 19155 5815 1 13 . 1 1 43 43 ASN CA C 43 56.224 56.224 55.656 0.568 19155 5816 1 13 . 1 1 43 43 ASN CB C 43 38.241 38.241 38.135 0.106 19155 5817 1 13 . 1 1 43 43 ASN H H 43 8.436 8.436 8.371 0.065 19155 5818 1 13 . 1 1 44 44 ASN N N 44 121.188 121.188 120.164 1.024 19155 5819 1 13 . 1 1 44 44 ASN HA H 44 4.647 4.647 4.497 0.150 19155 5820 1 13 . 1 1 44 44 ASN C C 44 178.704 178.704 177.258 1.446 19155 5821 1 13 . 1 1 44 44 ASN CA C 44 56.233 56.233 56.380 -0.147 19155 5822 1 13 . 1 1 44 44 ASN CB C 44 37.466 37.466 38.695 -1.229 19155 5823 1 13 . 1 1 44 44 ASN H H 44 8.079 8.079 7.724 0.355 19155 5824 1 13 . 1 1 45 45 ILE N N 45 124.315 124.315 120.418 3.897 19155 5825 1 13 . 1 1 45 45 ILE HA H 45 3.985 3.985 3.867 0.118 19155 5826 1 13 . 1 1 45 45 ILE C C 45 177.925 177.925 178.359 -0.434 19155 5827 1 13 . 1 1 45 45 ILE CA C 45 65.578 65.578 65.266 0.312 19155 5828 1 13 . 1 1 45 45 ILE CB C 45 38.903 38.903 37.870 1.033 19155 5829 1 13 . 1 1 45 45 ILE H H 45 8.533 8.533 8.465 0.068 19155 5830 1 13 . 1 1 46 46 LYS N N 46 119.624 119.624 120.153 -0.529 19155 5831 1 13 . 1 1 46 46 LYS HA H 46 3.743 3.743 3.925 -0.182 19155 5832 1 13 . 1 1 46 46 LYS C C 46 177.699 177.699 178.851 -1.152 19155 5833 1 13 . 1 1 46 46 LYS CA C 46 60.161 60.161 60.288 -0.127 19155 5834 1 13 . 1 1 46 46 LYS CB C 46 31.420 31.420 32.258 -0.838 19155 5835 1 13 . 1 1 46 46 LYS H H 46 8.660 8.660 7.784 0.876 19155 5836 1 13 . 1 1 47 47 ASN N N 47 116.034 116.034 117.821 -1.787 19155 5837 1 13 . 1 1 47 47 ASN HA H 47 4.468 4.468 4.445 0.023 19155 5838 1 13 . 1 1 47 47 ASN C C 47 177.768 177.768 177.631 0.137 19155 5839 1 13 . 1 1 47 47 ASN CA C 47 56.538 56.538 56.139 0.399 19155 5840 1 13 . 1 1 47 47 ASN CB C 47 37.882 37.882 38.315 -0.433 19155 5841 1 13 . 1 1 47 47 ASN H H 47 8.344 8.344 8.255 0.089 19155 5842 1 13 . 1 1 48 48 GLU N N 48 121.665 121.665 120.675 0.990 19155 5843 1 13 . 1 1 48 48 GLU HA H 48 4.044 4.044 3.994 0.050 19155 5844 1 13 . 1 1 48 48 GLU C C 48 179.915 179.915 179.111 0.804 19155 5845 1 13 . 1 1 48 48 GLU CA C 48 59.444 59.444 59.593 -0.149 19155 5846 1 13 . 1 1 48 48 GLU CB C 48 29.230 29.230 29.857 -0.627 19155 5847 1 13 . 1 1 48 48 GLU H H 48 8.301 8.301 8.357 -0.056 19155 5848 1 13 . 1 1 49 49 TYR N N 49 117.600 117.600 118.776 -1.176 19155 5849 1 13 . 1 1 49 49 TYR HA H 49 3.992 3.992 4.343 -0.351 19155 5850 1 13 . 1 1 49 49 TYR C C 49 178.275 178.275 178.277 -0.002 19155 5851 1 13 . 1 1 49 49 TYR CA C 49 64.508 64.508 61.144 3.364 19155 5852 1 13 . 1 1 49 49 TYR CB C 49 37.881 37.881 38.530 -0.649 19155 5853 1 13 . 1 1 49 49 TYR H H 49 8.581 8.581 8.449 0.132 19155 5854 1 13 . 1 1 50 50 LEU N N 50 122.126 122.126 119.677 2.449 19155 5855 1 13 . 1 1 50 50 LEU HA H 50 4.181 4.181 3.830 0.351 19155 5856 1 13 . 1 1 50 50 LEU C C 50 180.089 180.089 178.381 1.708 19155 5857 1 13 . 1 1 50 50 LEU CA C 50 59.061 59.061 58.522 0.539 19155 5858 1 13 . 1 1 50 50 LEU CB C 50 40.096 40.096 41.417 -1.321 19155 5859 1 13 . 1 1 50 50 LEU H H 50 9.207 9.207 8.987 0.220 19155 5860 1 13 . 1 1 51 51 ASN N N 51 117.124 117.124 117.220 -0.096 19155 5861 1 13 . 1 1 51 51 ASN HA H 51 4.535 4.535 4.405 0.130 19155 5862 1 13 . 1 1 51 51 ASN C C 51 177.522 177.522 177.460 0.062 19155 5863 1 13 . 1 1 51 51 ASN CA C 51 56.240 56.240 56.232 0.008 19155 5864 1 13 . 1 1 51 51 ASN CB C 51 37.898 37.898 38.421 -0.523 19155 5865 1 13 . 1 1 51 51 ASN H H 51 7.634 7.634 7.753 -0.119 19155 5866 1 13 . 1 1 52 52 LYS N N 52 119.154 119.154 120.314 -1.160 19155 5867 1 13 . 1 1 52 52 LYS HA H 52 4.037 4.037 3.947 0.090 19155 5868 1 13 . 1 1 52 52 LYS C C 52 179.905 179.905 179.136 0.769 19155 5869 1 13 . 1 1 52 52 LYS CA C 52 59.803 59.803 59.290 0.513 19155 5870 1 13 . 1 1 52 52 LYS CB C 52 33.215 33.215 32.224 0.992 19155 5871 1 13 . 1 1 52 52 LYS H H 52 7.663 7.663 7.305 0.358 19155 5872 1 13 . 1 1 53 53 ILE N N 53 121.662 121.662 119.643 2.019 19155 5873 1 13 . 1 1 53 53 ILE HA H 53 3.532 3.532 3.836 -0.304 19155 5874 1 13 . 1 1 53 53 ILE C C 53 178.489 178.489 177.963 0.526 19155 5875 1 13 . 1 1 53 53 ILE CA C 53 65.906 65.906 63.553 2.353 19155 5876 1 13 . 1 1 53 53 ILE CB C 53 38.249 38.249 36.871 1.378 19155 5877 1 13 . 1 1 53 53 ILE H H 53 8.493 8.493 8.201 0.292 19155 5878 1 13 . 1 1 54 54 VAL N N 54 119.477 119.477 119.330 0.147 19155 5879 1 13 . 1 1 54 54 VAL HA H 54 3.647 3.647 3.845 -0.198 19155 5880 1 13 . 1 1 54 54 VAL C C 54 176.683 176.683 177.272 -0.589 19155 5881 1 13 . 1 1 54 54 VAL CA C 54 66.643 66.643 64.154 2.489 19155 5882 1 13 . 1 1 54 54 VAL CB C 54 31.448 31.448 31.998 -0.551 19155 5883 1 13 . 1 1 54 54 VAL H H 54 7.598 7.598 8.033 -0.435 19155 5884 1 13 . 1 1 55 55 GLU N N 55 114.467 114.467 118.908 -4.441 19155 5885 1 13 . 1 1 55 55 GLU HA H 55 4.281 4.281 4.155 0.126 19155 5886 1 13 . 1 1 55 55 GLU C C 55 176.914 176.914 176.413 0.501 19155 5887 1 13 . 1 1 55 55 GLU CA C 55 56.195 56.195 57.469 -1.274 19155 5888 1 13 . 1 1 55 55 GLU CB C 55 30.354 30.354 29.695 0.659 19155 5889 1 13 . 1 1 55 55 GLU H H 55 7.064 7.064 7.716 -0.652 19155 5890 1 13 . 1 1 56 56 SER N N 56 116.806 116.806 112.623 4.183 19155 5891 1 13 . 1 1 56 56 SER HA H 56 4.435 4.435 4.397 0.038 19155 5892 1 13 . 1 1 56 56 SER C C 56 175.566 175.566 173.911 1.655 19155 5893 1 13 . 1 1 56 56 SER CA C 56 60.163 60.163 58.869 1.294 19155 5894 1 13 . 1 1 56 56 SER CB C 56 64.439 64.439 63.974 0.465 19155 5895 1 13 . 1 1 56 56 SER H H 56 7.504 7.504 7.290 0.214 19155 5896 1 13 . 1 1 57 57 THR N N 57 111.347 111.347 119.136 -7.789 19155 5897 1 13 . 1 1 57 57 THR HA H 57 4.539 4.539 4.536 0.003 19155 5898 1 13 . 1 1 57 57 THR C C 57 174.424 174.424 173.307 1.117 19155 5899 1 13 . 1 1 57 57 THR CA C 57 61.518 61.518 61.029 0.489 19155 5900 1 13 . 1 1 57 57 THR CB C 57 70.377 70.377 68.569 1.808 19155 5901 1 13 . 1 1 57 57 THR H H 57 9.083 9.083 8.555 0.528 19155 5902 1 13 . 1 1 58 58 SER N N 58 115.415 115.415 118.872 -3.457 19155 5903 1 13 . 1 1 58 58 SER HA H 58 5.059 5.059 4.833 0.226 19155 5904 1 13 . 1 1 58 58 SER C C 58 174.278 174.278 174.514 -0.236 19155 5905 1 13 . 1 1 58 58 SER CA C 58 56.928 56.928 56.835 0.093 19155 5906 1 13 . 1 1 58 58 SER CB C 58 66.570 66.570 64.929 1.641 19155 5907 1 13 . 1 1 58 58 SER H H 58 7.689 7.689 7.753 -0.064 19155 5908 1 13 . 1 1 59 59 GLU N N 59 124.305 124.305 128.122 -3.817 19155 5909 1 13 . 1 1 59 59 GLU HA H 59 3.990 3.990 3.882 0.108 19155 5910 1 13 . 1 1 59 59 GLU C C 59 179.113 179.113 177.777 1.336 19155 5911 1 13 . 1 1 59 59 GLU CA C 59 60.159 60.159 59.816 0.343 19155 5912 1 13 . 1 1 59 59 GLU CB C 59 29.616 29.616 28.852 0.764 19155 5913 1 13 . 1 1 59 59 GLU H H 59 9.719 9.719 9.086 0.633 19155 5914 1 13 . 1 1 60 60 SER N N 60 115.406 115.406 115.245 0.161 19155 5915 1 13 . 1 1 60 60 SER HA H 60 4.249 4.249 4.106 0.143 19155 5916 1 13 . 1 1 60 60 SER C C 60 177.307 177.307 176.881 0.426 19155 5917 1 13 . 1 1 60 60 SER CA C 60 61.259 61.259 60.844 0.415 19155 5918 1 13 . 1 1 60 60 SER CB C 60 61.960 61.960 62.972 -1.012 19155 5919 1 13 . 1 1 60 60 SER H H 60 8.614 8.614 8.011 0.603 19155 5920 1 13 . 1 1 61 61 GLN N N 61 121.656 121.656 122.725 -1.069 19155 5921 1 13 . 1 1 61 61 GLN HA H 61 4.107 4.107 4.112 -0.005 19155 5922 1 13 . 1 1 61 61 GLN C C 61 178.777 178.777 178.461 0.316 19155 5923 1 13 . 1 1 61 61 GLN CA C 61 58.743 58.743 58.675 0.068 19155 5924 1 13 . 1 1 61 61 GLN CB C 61 28.900 28.900 27.969 0.931 19155 5925 1 13 . 1 1 61 61 GLN H H 61 7.669 7.669 8.057 -0.388 19155 5926 1 13 . 1 1 62 62 LEU N N 62 118.689 118.689 120.167 -1.478 19155 5927 1 13 . 1 1 62 62 LEU HA H 62 4.035 4.035 3.822 0.213 19155 5928 1 13 . 1 1 62 62 LEU C C 62 178.363 178.363 179.076 -0.713 19155 5929 1 13 . 1 1 62 62 LEU CA C 62 58.725 58.725 58.221 0.504 19155 5930 1 13 . 1 1 62 62 LEU CB C 62 41.836 41.836 41.597 0.239 19155 5931 1 13 . 1 1 62 62 LEU H H 62 7.736 7.736 8.514 -0.778 19155 5932 1 13 . 1 1 63 63 GLN N N 63 117.441 117.441 117.402 0.039 19155 5933 1 13 . 1 1 63 63 GLN HA H 63 4.078 4.078 4.029 0.049 19155 5934 1 13 . 1 1 63 63 GLN C C 63 179.312 179.312 178.674 0.638 19155 5935 1 13 . 1 1 63 63 GLN CA C 63 59.062 59.062 58.643 0.419 19155 5936 1 13 . 1 1 63 63 GLN CB C 63 27.819 27.819 28.885 -1.066 19155 5937 1 13 . 1 1 63 63 GLN H H 63 7.943 7.943 7.592 0.351 19155 5938 1 13 . 1 1 64 64 ILE N N 64 120.406 120.406 120.377 0.029 19155 5939 1 13 . 1 1 64 64 ILE HA H 64 3.809 3.809 3.859 -0.050 19155 5940 1 13 . 1 1 64 64 ILE C C 64 178.734 178.734 177.971 0.763 19155 5941 1 13 . 1 1 64 64 ILE CA C 64 64.722 64.722 62.033 2.688 19155 5942 1 13 . 1 1 64 64 ILE CB C 64 37.971 37.971 36.769 1.202 19155 5943 1 13 . 1 1 64 64 ILE H H 64 7.544 7.544 8.091 -0.547 19155 5944 1 13 . 1 1 65 65 LEU N N 65 120.247 120.247 119.986 0.261 19155 5945 1 13 . 1 1 65 65 LEU HA H 65 4.212 4.212 4.013 0.199 19155 5946 1 13 . 1 1 65 65 LEU C C 65 179.685 179.685 179.014 0.671 19155 5947 1 13 . 1 1 65 65 LEU CA C 65 58.004 58.004 58.092 -0.088 19155 5948 1 13 . 1 1 65 65 LEU CB C 65 42.553 42.553 41.318 1.235 19155 5949 1 13 . 1 1 65 65 LEU H H 65 8.361 8.361 8.658 -0.297 19155 5950 1 13 . 1 1 66 66 MET N N 66 118.685 118.685 117.887 0.798 19155 5951 1 13 . 1 1 66 66 MET HA H 66 3.918 3.918 4.042 -0.124 19155 5952 1 13 . 1 1 66 66 MET C C 66 178.906 178.906 178.746 0.160 19155 5953 1 13 . 1 1 66 66 MET CA C 66 59.467 59.467 59.025 0.442 19155 5954 1 13 . 1 1 66 66 MET CB C 66 33.519 33.519 32.233 1.286 19155 5955 1 13 . 1 1 66 66 MET H H 66 8.458 8.458 7.440 1.018 19155 5956 1 13 . 1 1 67 67 MET N N 67 118.685 118.685 118.354 0.331 19155 5957 1 13 . 1 1 67 67 MET HA H 67 4.098 4.098 4.024 0.074 19155 5958 1 13 . 1 1 67 67 MET C C 67 178.781 178.781 178.294 0.487 19155 5959 1 13 . 1 1 67 67 MET CA C 67 58.379 58.379 58.386 -0.007 19155 5960 1 13 . 1 1 67 67 MET CB C 67 32.031 32.031 31.251 0.780 19155 5961 1 13 . 1 1 67 67 MET H H 67 7.559 7.559 7.598 -0.039 19155 5962 1 13 . 1 1 68 68 GLU N N 68 122.128 122.128 119.540 2.588 19155 5963 1 13 . 1 1 68 68 GLU HA H 68 3.990 3.990 3.965 0.025 19155 5964 1 13 . 1 1 68 68 GLU C C 68 178.803 178.803 179.100 -0.297 19155 5965 1 13 . 1 1 68 68 GLU CA C 68 59.459 59.459 59.645 -0.186 19155 5966 1 13 . 1 1 68 68 GLU CB C 68 30.706 30.706 29.223 1.483 19155 5967 1 13 . 1 1 68 68 GLU H H 68 8.895 8.895 8.603 0.292 19155 5968 1 13 . 1 1 69 69 SER N N 69 114.769 114.769 115.030 -0.261 19155 5969 1 13 . 1 1 69 69 SER HA H 69 2.872 2.872 3.437 -0.565 19155 5970 1 13 . 1 1 69 69 SER C C 69 175.801 175.801 176.587 -0.786 19155 5971 1 13 . 1 1 69 69 SER CA C 69 62.000 62.000 61.357 0.643 19155 5972 1 13 . 1 1 69 69 SER CB C 69 62.282 62.282 62.564 -0.282 19155 5973 1 13 . 1 1 69 69 SER H H 69 8.161 8.161 8.096 0.065 19155 5974 1 13 . 1 1 70 70 ARG N N 70 120.552 120.552 122.308 -1.756 19155 5975 1 13 . 1 1 70 70 ARG HA H 70 3.744 3.744 3.735 0.009 19155 5976 1 13 . 1 1 70 70 ARG C C 70 177.654 177.654 178.622 -0.968 19155 5977 1 13 . 1 1 70 70 ARG CA C 70 59.793 59.793 59.290 0.503 19155 5978 1 13 . 1 1 70 70 ARG CB C 70 29.974 29.974 29.659 0.315 19155 5979 1 13 . 1 1 70 70 ARG H H 70 6.945 6.945 7.896 -0.951 19155 5980 1 13 . 1 1 71 71 SER N N 71 113.064 113.064 116.019 -2.955 19155 5981 1 13 . 1 1 71 71 SER HA H 71 4.275 4.275 3.999 0.276 19155 5982 1 13 . 1 1 71 71 SER C C 71 177.491 177.491 176.309 1.182 19155 5983 1 13 . 1 1 71 71 SER CA C 71 61.571 61.571 62.282 -0.711 19155 5984 1 13 . 1 1 71 71 SER CB C 71 62.710 62.710 62.827 -0.117 19155 5985 1 13 . 1 1 71 71 SER H H 71 7.721 7.721 8.283 -0.562 19155 5986 1 13 . 1 1 72 72 LYS N N 72 121.657 121.657 121.705 -0.048 19155 5987 1 13 . 1 1 72 72 LYS HA H 72 4.170 4.170 4.018 0.152 19155 5988 1 13 . 1 1 72 72 LYS C C 72 180.429 180.429 179.150 1.279 19155 5989 1 13 . 1 1 72 72 LYS CA C 72 58.725 58.725 59.309 -0.584 19155 5990 1 13 . 1 1 72 72 LYS CB C 72 32.131 32.131 32.387 -0.256 19155 5991 1 13 . 1 1 72 72 LYS H H 72 8.414 8.414 7.330 1.084 19155 5992 1 13 . 1 1 73 73 VAL N N 73 123.222 123.222 120.527 2.695 19155 5993 1 13 . 1 1 73 73 VAL HA H 73 3.598 3.598 3.649 -0.051 19155 5994 1 13 . 1 1 73 73 VAL C C 73 176.929 176.929 177.623 -0.694 19155 5995 1 13 . 1 1 73 73 VAL CA C 73 66.975 66.975 67.126 -0.151 19155 5996 1 13 . 1 1 73 73 VAL CB C 73 31.704 31.704 31.767 -0.063 19155 5997 1 13 . 1 1 73 73 VAL H H 73 8.421 8.421 8.293 0.128 19155 5998 1 13 . 1 1 74 74 ASP N N 74 120.101 120.101 119.365 0.736 19155 5999 1 13 . 1 1 74 74 ASP HA H 74 4.393 4.393 4.455 -0.062 19155 6000 1 13 . 1 1 74 74 ASP C C 74 180.001 180.001 178.433 1.568 19155 6001 1 13 . 1 1 74 74 ASP CA C 74 57.324 57.324 57.264 0.061 19155 6002 1 13 . 1 1 74 74 ASP CB C 74 39.326 39.326 40.980 -1.654 19155 6003 1 13 . 1 1 74 74 ASP H H 74 8.674 8.674 8.515 0.159 19155 6004 1 13 . 1 1 75 75 GLU N N 75 121.349 121.349 120.468 0.881 19155 6005 1 13 . 1 1 75 75 GLU HA H 75 4.113 4.113 4.010 0.103 19155 6006 1 13 . 1 1 75 75 GLU C C 75 178.732 178.732 178.504 0.228 19155 6007 1 13 . 1 1 75 75 GLU CA C 75 59.083 59.083 59.615 -0.532 19155 6008 1 13 . 1 1 75 75 GLU CB C 75 29.975 29.975 29.755 0.220 19155 6009 1 13 . 1 1 75 75 GLU H H 75 8.475 8.475 8.271 0.204 19155 6010 1 13 . 1 1 76 76 ALA N N 76 124.160 124.160 121.791 2.369 19155 6011 1 13 . 1 1 76 76 ALA HA H 76 4.281 4.281 4.173 0.108 19155 6012 1 13 . 1 1 76 76 ALA C C 76 179.906 179.906 179.828 0.078 19155 6013 1 13 . 1 1 76 76 ALA CA C 76 55.530 55.530 55.131 0.399 19155 6014 1 13 . 1 1 76 76 ALA CB C 76 17.424 17.424 18.461 -1.037 19155 6015 1 13 . 1 1 76 76 ALA H H 76 7.944 7.944 7.872 0.072 19155 6016 1 13 . 1 1 77 77 VAL N N 77 117.439 117.439 119.248 -1.809 19155 6017 1 13 . 1 1 77 77 VAL HA H 77 3.644 3.644 3.511 0.133 19155 6018 1 13 . 1 1 77 77 VAL C C 77 178.784 178.784 178.020 0.764 19155 6019 1 13 . 1 1 77 77 VAL CA C 77 66.958 66.958 67.050 -0.092 19155 6020 1 13 . 1 1 77 77 VAL CB C 77 31.807 31.807 31.551 0.256 19155 6021 1 13 . 1 1 77 77 VAL H H 77 8.204 8.204 7.955 0.249 19155 6022 1 13 . 1 1 78 78 SER N N 78 113.687 113.687 114.131 -0.444 19155 6023 1 13 . 1 1 78 78 SER HA H 78 4.266 4.266 4.132 0.134 19155 6024 1 13 . 1 1 78 78 SER C C 78 176.762 176.762 176.560 0.202 19155 6025 1 13 . 1 1 78 78 SER CA C 78 61.241 61.241 61.131 0.110 19155 6026 1 13 . 1 1 78 78 SER CB C 78 62.678 62.678 62.872 -0.194 19155 6027 1 13 . 1 1 78 78 SER H H 78 7.935 7.935 7.753 0.182 19155 6028 1 13 . 1 1 79 79 LYS N N 79 121.029 121.029 120.669 0.360 19155 6029 1 13 . 1 1 79 79 LYS HA H 79 4.070 4.070 4.079 -0.009 19155 6030 1 13 . 1 1 79 79 LYS C C 79 178.135 178.135 178.663 -0.528 19155 6031 1 13 . 1 1 79 79 LYS CA C 79 58.723 58.723 59.029 -0.306 19155 6032 1 13 . 1 1 79 79 LYS CB C 79 32.489 32.489 32.573 -0.084 19155 6033 1 13 . 1 1 79 79 LYS H H 79 7.989 7.989 8.321 -0.332 19155 6034 1 13 . 1 1 80 80 PHE N N 80 117.437 117.437 116.085 1.352 19155 6035 1 13 . 1 1 80 80 PHE HA H 80 4.490 4.490 4.586 -0.096 19155 6036 1 13 . 1 1 80 80 PHE C C 80 176.236 176.236 176.097 0.139 19155 6037 1 13 . 1 1 80 80 PHE CA C 80 59.444 59.444 58.784 0.660 19155 6038 1 13 . 1 1 80 80 PHE CB C 80 40.032 40.032 39.708 0.324 19155 6039 1 13 . 1 1 80 80 PHE H H 80 7.838 7.838 7.754 0.084 19155 6040 1 13 . 1 1 81 81 GLU N N 81 120.092 120.092 117.831 2.261 19155 6041 1 13 . 1 1 81 81 GLU HA H 81 4.290 4.290 4.217 0.073 19155 6042 1 13 . 1 1 81 81 GLU C C 81 175.715 175.715 176.801 -1.086 19155 6043 1 13 . 1 1 81 81 GLU CA C 81 56.928 56.928 58.059 -1.131 19155 6044 1 13 . 1 1 81 81 GLU CB C 81 29.997 29.997 30.016 -0.019 19155 6045 1 13 . 1 1 81 81 GLU H H 81 7.864 7.864 8.087 -0.223 19155 6046 1 14 . 1 1 2 2 ASP N N 2 119.961 119.961 120.412 -0.451 19155 6047 1 14 . 1 1 2 2 ASP HA H 2 4.440 4.440 4.557 -0.117 19155 6048 1 14 . 1 1 2 2 ASP C C 2 178.594 178.594 177.471 1.123 19155 6049 1 14 . 1 1 2 2 ASP CA C 2 57.997 57.997 55.674 2.323 19155 6050 1 14 . 1 1 2 2 ASP CB C 2 40.098 40.098 41.205 -1.107 19155 6051 1 14 . 1 1 2 2 ASP H H 2 8.260 8.260 8.338 -0.078 19155 6052 1 14 . 1 1 3 3 SER N N 3 115.401 115.401 116.403 -1.002 19155 6053 1 14 . 1 1 3 3 SER HA H 3 4.358 4.358 4.168 0.190 19155 6054 1 14 . 1 1 3 3 SER C C 3 177.657 177.657 176.524 1.133 19155 6055 1 14 . 1 1 3 3 SER CA C 3 60.656 60.656 61.422 -0.766 19155 6056 1 14 . 1 1 3 3 SER CB C 3 62.319 62.319 62.951 -0.632 19155 6057 1 14 . 1 1 3 3 SER H H 3 8.112 8.112 8.310 -0.198 19155 6058 1 14 . 1 1 4 4 GLU N N 4 122.287 122.287 121.049 1.238 19155 6059 1 14 . 1 1 4 4 GLU HA H 4 4.045 4.045 4.006 0.039 19155 6060 1 14 . 1 1 4 4 GLU C C 4 180.035 180.035 178.086 1.949 19155 6061 1 14 . 1 1 4 4 GLU CA C 4 59.072 59.072 59.498 -0.426 19155 6062 1 14 . 1 1 4 4 GLU CB C 4 28.538 28.538 29.477 -0.939 19155 6063 1 14 . 1 1 4 4 GLU H H 4 8.472 8.472 8.916 -0.444 19155 6064 1 14 . 1 1 5 5 ARG N N 5 121.026 121.026 117.289 3.737 19155 6065 1 14 . 1 1 5 5 ARG HA H 5 3.894 3.894 4.282 -0.388 19155 6066 1 14 . 1 1 5 5 ARG C C 5 178.298 178.298 178.347 -0.049 19155 6067 1 14 . 1 1 5 5 ARG CA C 5 60.564 60.564 58.561 2.003 19155 6068 1 14 . 1 1 5 5 ARG CB C 5 30.681 30.681 30.041 0.640 19155 6069 1 14 . 1 1 5 5 ARG H H 5 8.771 8.771 7.597 1.174 19155 6070 1 14 . 1 1 6 6 ASP N N 6 119.775 119.775 121.332 -1.557 19155 6071 1 14 . 1 1 6 6 ASP HA H 6 4.455 4.455 4.368 0.087 19155 6072 1 14 . 1 1 6 6 ASP C C 6 178.676 178.676 178.038 0.638 19155 6073 1 14 . 1 1 6 6 ASP CA C 6 57.956 57.956 58.293 -0.337 19155 6074 1 14 . 1 1 6 6 ASP CB C 6 40.774 40.774 41.076 -0.302 19155 6075 1 14 . 1 1 6 6 ASP H H 6 7.889 7.889 8.502 -0.613 19155 6076 1 14 . 1 1 7 7 LYS N N 7 119.937 119.937 118.918 1.019 19155 6077 1 14 . 1 1 7 7 LYS HA H 7 4.014 4.014 4.063 -0.049 19155 6078 1 14 . 1 1 7 7 LYS C C 7 178.977 178.977 178.548 0.429 19155 6079 1 14 . 1 1 7 7 LYS CA C 7 59.793 59.793 59.458 0.335 19155 6080 1 14 . 1 1 7 7 LYS CB C 7 32.850 32.850 32.167 0.683 19155 6081 1 14 . 1 1 7 7 LYS H H 7 7.950 7.950 8.379 -0.429 19155 6082 1 14 . 1 1 8 8 ALA N N 8 122.436 122.436 122.757 -0.321 19155 6083 1 14 . 1 1 8 8 ALA HA H 8 4.478 4.478 4.106 0.372 19155 6084 1 14 . 1 1 8 8 ALA C C 8 178.764 178.764 179.648 -0.884 19155 6085 1 14 . 1 1 8 8 ALA CA C 8 55.168 55.168 54.979 0.189 19155 6086 1 14 . 1 1 8 8 ALA CB C 8 19.502 19.502 18.518 0.984 19155 6087 1 14 . 1 1 8 8 ALA H H 8 7.976 7.976 7.663 0.313 19155 6088 1 14 . 1 1 9 9 ARG N N 9 118.059 118.059 117.365 0.694 19155 6089 1 14 . 1 1 9 9 ARG HA H 9 3.801 3.801 3.999 -0.198 19155 6090 1 14 . 1 1 9 9 ARG C C 9 177.874 177.874 178.099 -0.225 19155 6091 1 14 . 1 1 9 9 ARG CA C 9 59.794 59.794 59.132 0.662 19155 6092 1 14 . 1 1 9 9 ARG CB C 9 29.989 29.989 29.896 0.093 19155 6093 1 14 . 1 1 9 9 ARG H H 9 8.489 8.489 8.369 0.120 19155 6094 1 14 . 1 1 10 10 LYS N N 10 118.064 118.064 120.605 -2.541 19155 6095 1 14 . 1 1 10 10 LYS HA H 10 4.138 4.138 4.122 0.016 19155 6096 1 14 . 1 1 10 10 LYS C C 10 178.619 178.619 178.890 -0.271 19155 6097 1 14 . 1 1 10 10 LYS CA C 10 59.421 59.421 58.653 0.768 19155 6098 1 14 . 1 1 10 10 LYS CB C 10 32.467 32.467 31.864 0.603 19155 6099 1 14 . 1 1 10 10 LYS H H 10 7.833 7.833 8.315 -0.482 19155 6100 1 14 . 1 1 11 11 GLU N N 11 118.845 118.845 119.362 -0.517 19155 6101 1 14 . 1 1 11 11 GLU HA H 11 4.107 4.107 4.087 0.020 19155 6102 1 14 . 1 1 11 11 GLU C C 11 180.137 180.137 178.916 1.221 19155 6103 1 14 . 1 1 11 11 GLU CA C 11 59.803 59.803 59.423 0.380 19155 6104 1 14 . 1 1 11 11 GLU CB C 11 29.248 29.248 29.412 -0.164 19155 6105 1 14 . 1 1 11 11 GLU H H 11 7.991 7.991 8.339 -0.348 19155 6106 1 14 . 1 1 12 12 VAL N N 12 120.562 120.562 115.749 4.813 19155 6107 1 14 . 1 1 12 12 VAL HA H 12 3.851 3.851 3.952 -0.101 19155 6108 1 14 . 1 1 12 12 VAL C C 12 178.182 178.182 177.754 0.428 19155 6109 1 14 . 1 1 12 12 VAL CA C 12 66.625 66.625 65.676 0.949 19155 6110 1 14 . 1 1 12 12 VAL CB C 12 31.784 31.784 31.209 0.575 19155 6111 1 14 . 1 1 12 12 VAL H H 12 8.173 8.173 7.350 0.823 19155 6112 1 14 . 1 1 13 13 GLU N N 13 117.912 117.912 122.323 -4.411 19155 6113 1 14 . 1 1 13 13 GLU HA H 13 3.841 3.841 3.931 -0.090 19155 6114 1 14 . 1 1 13 13 GLU C C 13 179.959 179.959 178.752 1.207 19155 6115 1 14 . 1 1 13 13 GLU CA C 13 60.498 60.498 60.464 0.034 19155 6116 1 14 . 1 1 13 13 GLU CB C 13 30.014 30.014 29.485 0.529 19155 6117 1 14 . 1 1 13 13 GLU H H 13 8.624 8.624 8.845 -0.221 19155 6118 1 14 . 1 1 14 14 GLU N N 14 117.909 117.909 118.589 -0.680 19155 6119 1 14 . 1 1 14 14 GLU HA H 14 4.025 4.025 4.098 -0.073 19155 6120 1 14 . 1 1 14 14 GLU C C 14 179.020 179.020 178.999 0.021 19155 6121 1 14 . 1 1 14 14 GLU CA C 14 59.442 59.442 58.843 0.599 19155 6122 1 14 . 1 1 14 14 GLU CB C 14 29.257 29.257 28.994 0.263 19155 6123 1 14 . 1 1 14 14 GLU H H 14 8.904 8.904 8.576 0.328 19155 6124 1 14 . 1 1 15 15 TYR N N 15 122.592 122.592 121.229 1.363 19155 6125 1 14 . 1 1 15 15 TYR HA H 15 4.359 4.359 4.317 0.042 19155 6126 1 14 . 1 1 15 15 TYR C C 15 177.581 177.581 177.066 0.515 19155 6127 1 14 . 1 1 15 15 TYR CA C 15 62.430 62.430 60.345 2.085 19155 6128 1 14 . 1 1 15 15 TYR CB C 15 38.541 38.541 39.082 -0.541 19155 6129 1 14 . 1 1 15 15 TYR H H 15 8.170 8.170 7.700 0.470 19155 6130 1 14 . 1 1 16 16 VAL N N 16 116.497 116.497 119.554 -3.057 19155 6131 1 14 . 1 1 16 16 VAL HA H 16 3.386 3.386 3.260 0.126 19155 6132 1 14 . 1 1 16 16 VAL C C 16 177.221 177.221 177.537 -0.316 19155 6133 1 14 . 1 1 16 16 VAL CA C 16 68.053 68.053 67.246 0.807 19155 6134 1 14 . 1 1 16 16 VAL CB C 16 31.427 31.427 31.775 -0.348 19155 6135 1 14 . 1 1 16 16 VAL H H 16 7.953 7.953 8.565 -0.612 19155 6136 1 14 . 1 1 17 17 LYS N N 17 118.530 118.530 118.034 0.496 19155 6137 1 14 . 1 1 17 17 LYS HA H 17 3.922 3.922 4.000 -0.078 19155 6138 1 14 . 1 1 17 17 LYS C C 17 179.742 179.742 178.343 1.399 19155 6139 1 14 . 1 1 17 17 LYS CA C 17 60.145 60.145 59.621 0.524 19155 6140 1 14 . 1 1 17 17 LYS CB C 17 32.827 32.827 31.913 0.913 19155 6141 1 14 . 1 1 17 17 LYS H H 17 8.274 8.274 8.366 -0.092 19155 6142 1 14 . 1 1 18 18 LYS N N 18 121.031 121.031 120.917 0.114 19155 6143 1 14 . 1 1 18 18 LYS HA H 18 4.018 4.018 4.152 -0.134 19155 6144 1 14 . 1 1 18 18 LYS C C 18 178.962 178.962 178.465 0.497 19155 6145 1 14 . 1 1 18 18 LYS CA C 18 59.085 59.085 59.306 -0.221 19155 6146 1 14 . 1 1 18 18 LYS CB C 18 32.132 32.132 32.575 -0.443 19155 6147 1 14 . 1 1 18 18 LYS H H 18 7.946 7.946 7.251 0.695 19155 6148 1 14 . 1 1 19 19 ILE N N 19 120.718 120.718 120.462 0.256 19155 6149 1 14 . 1 1 19 19 ILE HA H 19 3.727 3.727 3.720 0.007 19155 6150 1 14 . 1 1 19 19 ILE C C 19 172.120 172.120 178.398 -6.278 19155 6151 1 14 . 1 1 19 19 ILE CA C 19 62.128 62.128 64.324 -2.196 19155 6152 1 14 . 1 1 19 19 ILE CB C 19 35.988 35.988 36.723 -0.735 19155 6153 1 14 . 1 1 19 19 ILE H H 19 7.796 7.796 8.325 -0.529 19155 6154 1 14 . 1 1 20 20 VAL N N 20 124.792 124.792 119.938 4.854 19155 6155 1 14 . 1 1 20 20 VAL HA H 20 3.312 3.312 3.670 -0.358 19155 6156 1 14 . 1 1 20 20 VAL C C 20 177.873 177.873 178.740 -0.867 19155 6157 1 14 . 1 1 20 20 VAL CA C 20 67.738 67.738 66.804 0.934 19155 6158 1 14 . 1 1 20 20 VAL CB C 20 31.772 31.772 30.806 0.966 19155 6159 1 14 . 1 1 20 20 VAL H H 20 9.190 9.190 8.585 0.605 19155 6160 1 14 . 1 1 21 21 GLY N N 21 106.034 106.034 107.821 -1.787 19155 6161 1 14 . 1 1 21 21 GLY C C 21 177.470 177.470 176.480 0.990 19155 6162 1 14 . 1 1 21 21 GLY CA C 21 47.226 47.226 47.287 -0.061 19155 6163 1 14 . 1 1 21 21 GLY H H 21 8.117 8.117 8.314 -0.197 19155 6164 1 14 . 1 1 22 22 GLU N N 22 122.282 122.282 121.098 1.184 19155 6165 1 14 . 1 1 22 22 GLU HA H 22 4.104 4.104 4.167 -0.063 19155 6166 1 14 . 1 1 22 22 GLU C C 22 178.827 178.827 179.028 -0.201 19155 6167 1 14 . 1 1 22 22 GLU CA C 22 59.016 59.016 58.988 0.028 19155 6168 1 14 . 1 1 22 22 GLU CB C 22 29.619 29.619 29.338 0.281 19155 6169 1 14 . 1 1 22 22 GLU H H 22 8.197 8.197 8.555 -0.358 19155 6170 1 14 . 1 1 23 23 SER N N 23 116.812 116.812 115.998 0.814 19155 6171 1 14 . 1 1 23 23 SER HA H 23 4.201 4.201 4.134 0.067 19155 6172 1 14 . 1 1 23 23 SER C C 23 177.084 177.084 176.244 0.840 19155 6173 1 14 . 1 1 23 23 SER CA C 23 61.998 61.998 62.178 -0.180 19155 6174 1 14 . 1 1 23 23 SER CB C 23 62.105 62.105 62.541 -0.436 19155 6175 1 14 . 1 1 23 23 SER H H 23 8.285 8.285 8.122 0.163 19155 6176 1 14 . 1 1 24 24 TYR N N 24 120.879 120.879 120.966 -0.087 19155 6177 1 14 . 1 1 24 24 TYR HA H 24 4.396 4.396 4.287 0.109 19155 6178 1 14 . 1 1 24 24 TYR C C 24 178.846 178.846 176.013 2.833 19155 6179 1 14 . 1 1 24 24 TYR CA C 24 61.189 61.189 60.501 0.688 19155 6180 1 14 . 1 1 24 24 TYR CB C 24 37.866 37.866 37.821 0.045 19155 6181 1 14 . 1 1 24 24 TYR H H 24 8.254 8.254 7.564 0.690 19155 6182 1 14 . 1 1 25 25 ALA N N 25 122.124 122.124 120.064 2.060 19155 6183 1 14 . 1 1 25 25 ALA HA H 25 4.251 4.251 4.198 0.053 19155 6184 1 14 . 1 1 25 25 ALA C C 25 178.999 178.999 178.642 0.357 19155 6185 1 14 . 1 1 25 25 ALA CA C 25 54.608 54.608 53.672 0.936 19155 6186 1 14 . 1 1 25 25 ALA CB C 25 18.108 18.108 19.198 -1.090 19155 6187 1 14 . 1 1 25 25 ALA H H 25 8.018 8.018 7.673 0.345 19155 6188 1 14 . 1 1 26 26 LYS N N 26 115.251 115.251 116.870 -1.619 19155 6189 1 14 . 1 1 26 26 LYS HA H 26 4.459 4.459 4.237 0.223 19155 6190 1 14 . 1 1 26 26 LYS C C 26 176.598 176.598 177.129 -0.531 19155 6191 1 14 . 1 1 26 26 LYS CA C 26 56.209 56.209 57.203 -0.994 19155 6192 1 14 . 1 1 26 26 LYS CB C 26 33.191 33.191 32.822 0.369 19155 6193 1 14 . 1 1 26 26 LYS H H 26 7.533 7.533 7.974 -0.441 19155 6194 1 14 . 1 1 27 27 SER N N 27 115.400 115.400 116.035 -0.635 19155 6195 1 14 . 1 1 27 27 SER HA H 27 4.332 4.332 4.634 -0.302 19155 6196 1 14 . 1 1 27 27 SER C C 27 174.768 174.768 173.536 1.232 19155 6197 1 14 . 1 1 27 27 SER CA C 27 58.808 58.808 58.008 0.799 19155 6198 1 14 . 1 1 27 27 SER CB C 27 63.397 63.397 65.236 -1.839 19155 6199 1 14 . 1 1 27 27 SER H H 27 7.570 7.570 7.470 0.100 19155 6200 1 14 . 1 1 28 28 THR N N 28 114.468 114.468 117.896 -3.428 19155 6201 1 14 . 1 1 28 28 THR HA H 28 4.649 4.649 4.524 0.125 19155 6202 1 14 . 1 1 28 28 THR CA C 28 60.242 60.242 61.757 -1.515 19155 6203 1 14 . 1 1 28 28 THR CB C 28 71.544 71.544 70.214 1.330 19155 6204 1 14 . 1 1 28 28 THR H H 28 7.725 7.725 8.338 -0.613 19155 6205 1 14 . 1 1 29 29 LYS HA H 29 4.300 4.300 3.985 0.315 19155 6206 1 14 . 1 1 29 29 LYS CA C 29 57.974 57.974 60.246 -2.272 19155 6207 1 14 . 1 1 29 29 LYS CB C 29 32.820 32.820 32.148 0.672 19155 6208 1 14 . 1 1 30 30 LYS HA H 30 4.154 4.154 4.075 0.079 19155 6209 1 14 . 1 1 30 30 LYS CA C 30 58.725 58.725 57.297 1.427 19155 6210 1 14 . 1 1 31 31 ARG HA H 31 4.533 4.533 4.567 -0.034 19155 6211 1 14 . 1 1 31 31 ARG CA C 31 56.137 56.137 54.056 2.080 19155 6212 1 14 . 1 1 31 31 ARG CB C 31 31.003 31.003 30.076 0.927 19155 6213 1 14 . 1 1 32 32 HIS HA H 32 4.570 4.570 4.411 0.159 19155 6214 1 14 . 1 1 32 32 HIS C C 32 176.136 176.136 176.626 -0.490 19155 6215 1 14 . 1 1 32 32 HIS CA C 32 58.689 58.689 58.097 0.592 19155 6216 1 14 . 1 1 32 32 HIS CB C 32 30.731 30.731 28.521 2.210 19155 6217 1 14 . 1 1 33 33 THR N N 33 111.162 111.162 117.167 -6.005 19155 6218 1 14 . 1 1 33 33 THR HA H 33 3.976 3.976 3.977 -0.001 19155 6219 1 14 . 1 1 33 33 THR C C 33 176.807 176.807 176.519 0.288 19155 6220 1 14 . 1 1 33 33 THR CA C 33 65.194 65.194 66.198 -1.004 19155 6221 1 14 . 1 1 33 33 THR CB C 33 68.428 68.428 68.349 0.079 19155 6222 1 14 . 1 1 33 33 THR H H 33 8.355 8.355 7.852 0.503 19155 6223 1 14 . 1 1 34 34 ILE N N 34 123.220 123.220 121.190 2.030 19155 6224 1 14 . 1 1 34 34 ILE HA H 34 4.047 4.047 3.825 0.222 19155 6225 1 14 . 1 1 34 34 ILE C C 34 176.944 176.944 177.205 -0.261 19155 6226 1 14 . 1 1 34 34 ILE CA C 34 63.746 63.746 64.987 -1.242 19155 6227 1 14 . 1 1 34 34 ILE CB C 34 37.905 37.905 37.878 0.027 19155 6228 1 14 . 1 1 34 34 ILE H H 34 7.824 7.824 8.175 -0.351 19155 6229 1 14 . 1 1 35 35 THR N N 35 118.694 118.694 115.288 3.406 19155 6230 1 14 . 1 1 35 35 THR HA H 35 4.103 4.103 3.838 0.265 19155 6231 1 14 . 1 1 35 35 THR C C 35 175.385 175.385 176.299 -0.914 19155 6232 1 14 . 1 1 35 35 THR CA C 35 63.339 63.339 65.900 -2.561 19155 6233 1 14 . 1 1 35 35 THR CB C 35 68.428 68.428 67.907 0.521 19155 6234 1 14 . 1 1 35 35 THR H H 35 8.053 8.053 7.544 0.509 19155 6235 1 14 . 1 1 36 36 VAL N N 36 120.252 120.252 121.683 -1.431 19155 6236 1 14 . 1 1 36 36 VAL HA H 36 3.494 3.494 3.572 -0.078 19155 6237 1 14 . 1 1 36 36 VAL C C 36 177.667 177.667 177.454 0.213 19155 6238 1 14 . 1 1 36 36 VAL CA C 36 66.312 66.312 66.910 -0.598 19155 6239 1 14 . 1 1 36 36 VAL CB C 36 31.787 31.787 31.085 0.702 19155 6240 1 14 . 1 1 36 36 VAL H H 36 8.148 8.148 8.301 -0.153 19155 6241 1 14 . 1 1 37 37 ALA N N 37 121.815 121.815 122.561 -0.746 19155 6242 1 14 . 1 1 37 37 ALA HA H 37 4.168 4.168 4.049 0.119 19155 6243 1 14 . 1 1 37 37 ALA C C 37 180.404 180.404 179.188 1.216 19155 6244 1 14 . 1 1 37 37 ALA CA C 37 55.062 55.062 55.009 0.053 19155 6245 1 14 . 1 1 37 37 ALA CB C 37 18.114 18.114 18.267 -0.153 19155 6246 1 14 . 1 1 37 37 ALA H H 37 7.526 7.526 7.343 0.183 19155 6247 1 14 . 1 1 38 38 LEU N N 38 122.124 122.124 119.203 2.921 19155 6248 1 14 . 1 1 38 38 LEU HA H 38 3.574 3.574 3.369 0.205 19155 6249 1 14 . 1 1 38 38 LEU C C 38 177.815 177.815 178.549 -0.734 19155 6250 1 14 . 1 1 38 38 LEU CA C 38 57.671 57.671 57.063 0.608 19155 6251 1 14 . 1 1 38 38 LEU CB C 38 40.383 40.383 41.358 -0.975 19155 6252 1 14 . 1 1 38 38 LEU H H 38 7.987 7.987 7.659 0.328 19155 6253 1 14 . 1 1 39 39 VAL N N 39 119.627 119.627 119.564 0.063 19155 6254 1 14 . 1 1 39 39 VAL HA H 39 3.295 3.295 3.417 -0.122 19155 6255 1 14 . 1 1 39 39 VAL C C 39 178.084 178.084 177.714 0.370 19155 6256 1 14 . 1 1 39 39 VAL CA C 39 67.710 67.710 67.454 0.257 19155 6257 1 14 . 1 1 39 39 VAL CB C 39 31.393 31.393 31.290 0.103 19155 6258 1 14 . 1 1 39 39 VAL H H 39 8.410 8.410 8.516 -0.106 19155 6259 1 14 . 1 1 40 40 ASN N N 40 117.904 117.904 117.565 0.339 19155 6260 1 14 . 1 1 40 40 ASN HA H 40 4.528 4.528 4.393 0.135 19155 6261 1 14 . 1 1 40 40 ASN C C 40 177.814 177.814 177.730 0.084 19155 6262 1 14 . 1 1 40 40 ASN CA C 40 56.214 56.214 56.494 -0.280 19155 6263 1 14 . 1 1 40 40 ASN CB C 40 37.990 37.990 38.385 -0.395 19155 6264 1 14 . 1 1 40 40 ASN H H 40 8.211 8.211 7.732 0.479 19155 6265 1 14 . 1 1 41 41 GLU N N 41 122.117 122.117 121.857 0.260 19155 6266 1 14 . 1 1 41 41 GLU HA H 41 4.330 4.330 4.131 0.199 19155 6267 1 14 . 1 1 41 41 GLU C C 41 179.186 179.186 178.808 0.378 19155 6268 1 14 . 1 1 41 41 GLU CA C 41 59.444 59.444 59.453 -0.009 19155 6269 1 14 . 1 1 41 41 GLU CB C 41 28.935 28.935 29.781 -0.846 19155 6270 1 14 . 1 1 41 41 GLU H H 41 7.895 7.895 7.960 -0.065 19155 6271 1 14 . 1 1 42 42 LEU N N 42 118.997 118.997 118.981 0.016 19155 6272 1 14 . 1 1 42 42 LEU HA H 42 4.036 4.036 3.857 0.179 19155 6273 1 14 . 1 1 42 42 LEU C C 42 179.072 179.072 178.903 0.169 19155 6274 1 14 . 1 1 42 42 LEU CA C 42 58.028 58.028 58.139 -0.111 19155 6275 1 14 . 1 1 42 42 LEU CB C 42 41.053 41.053 41.572 -0.519 19155 6276 1 14 . 1 1 42 42 LEU H H 42 8.915 8.915 8.476 0.439 19155 6277 1 14 . 1 1 43 43 ASN N N 43 117.439 117.439 117.409 0.030 19155 6278 1 14 . 1 1 43 43 ASN HA H 43 4.560 4.560 4.422 0.138 19155 6279 1 14 . 1 1 43 43 ASN C C 43 177.692 177.692 177.570 0.122 19155 6280 1 14 . 1 1 43 43 ASN CA C 43 56.224 56.224 56.445 -0.221 19155 6281 1 14 . 1 1 43 43 ASN CB C 43 38.241 38.241 37.969 0.272 19155 6282 1 14 . 1 1 43 43 ASN H H 43 8.436 8.436 8.542 -0.106 19155 6283 1 14 . 1 1 44 44 ASN N N 44 121.188 121.188 119.810 1.378 19155 6284 1 14 . 1 1 44 44 ASN HA H 44 4.647 4.647 4.618 0.029 19155 6285 1 14 . 1 1 44 44 ASN C C 44 178.704 178.704 177.557 1.147 19155 6286 1 14 . 1 1 44 44 ASN CA C 44 56.233 56.233 55.734 0.499 19155 6287 1 14 . 1 1 44 44 ASN CB C 44 37.466 37.466 38.456 -0.990 19155 6288 1 14 . 1 1 44 44 ASN H H 44 8.079 8.079 7.686 0.393 19155 6289 1 14 . 1 1 45 45 ILE N N 45 124.315 124.315 121.114 3.201 19155 6290 1 14 . 1 1 45 45 ILE HA H 45 3.985 3.985 3.736 0.249 19155 6291 1 14 . 1 1 45 45 ILE C C 45 177.925 177.925 178.129 -0.204 19155 6292 1 14 . 1 1 45 45 ILE CA C 45 65.578 65.578 65.758 -0.180 19155 6293 1 14 . 1 1 45 45 ILE CB C 45 38.903 38.903 37.758 1.145 19155 6294 1 14 . 1 1 45 45 ILE H H 45 8.533 8.533 8.320 0.213 19155 6295 1 14 . 1 1 46 46 LYS N N 46 119.624 119.624 119.966 -0.342 19155 6296 1 14 . 1 1 46 46 LYS HA H 46 3.743 3.743 3.907 -0.164 19155 6297 1 14 . 1 1 46 46 LYS C C 46 177.699 177.699 178.979 -1.280 19155 6298 1 14 . 1 1 46 46 LYS CA C 46 60.161 60.161 60.158 0.003 19155 6299 1 14 . 1 1 46 46 LYS CB C 46 31.420 31.420 32.252 -0.832 19155 6300 1 14 . 1 1 46 46 LYS H H 46 8.660 8.660 8.082 0.578 19155 6301 1 14 . 1 1 47 47 ASN N N 47 116.034 116.034 117.731 -1.697 19155 6302 1 14 . 1 1 47 47 ASN HA H 47 4.468 4.468 4.526 -0.058 19155 6303 1 14 . 1 1 47 47 ASN C C 47 177.768 177.768 177.503 0.265 19155 6304 1 14 . 1 1 47 47 ASN CA C 47 56.538 56.538 55.959 0.579 19155 6305 1 14 . 1 1 47 47 ASN CB C 47 37.882 37.882 38.371 -0.489 19155 6306 1 14 . 1 1 47 47 ASN H H 47 8.344 8.344 8.211 0.133 19155 6307 1 14 . 1 1 48 48 GLU N N 48 121.665 121.665 121.231 0.434 19155 6308 1 14 . 1 1 48 48 GLU HA H 48 4.044 4.044 3.986 0.058 19155 6309 1 14 . 1 1 48 48 GLU C C 48 179.915 179.915 179.041 0.874 19155 6310 1 14 . 1 1 48 48 GLU CA C 48 59.444 59.444 59.844 -0.400 19155 6311 1 14 . 1 1 48 48 GLU CB C 48 29.230 29.230 29.801 -0.571 19155 6312 1 14 . 1 1 48 48 GLU H H 48 8.301 8.301 8.483 -0.182 19155 6313 1 14 . 1 1 49 49 TYR N N 49 117.600 117.600 118.883 -1.283 19155 6314 1 14 . 1 1 49 49 TYR HA H 49 3.992 3.992 4.303 -0.311 19155 6315 1 14 . 1 1 49 49 TYR C C 49 178.275 178.275 178.328 -0.053 19155 6316 1 14 . 1 1 49 49 TYR CA C 49 64.508 64.508 61.373 3.135 19155 6317 1 14 . 1 1 49 49 TYR CB C 49 37.881 37.881 38.481 -0.600 19155 6318 1 14 . 1 1 49 49 TYR H H 49 8.581 8.581 8.173 0.408 19155 6319 1 14 . 1 1 50 50 LEU N N 50 122.126 122.126 120.523 1.603 19155 6320 1 14 . 1 1 50 50 LEU HA H 50 4.181 4.181 3.791 0.390 19155 6321 1 14 . 1 1 50 50 LEU C C 50 180.089 180.089 178.656 1.433 19155 6322 1 14 . 1 1 50 50 LEU CA C 50 59.061 59.061 58.759 0.302 19155 6323 1 14 . 1 1 50 50 LEU CB C 50 40.096 40.096 41.575 -1.479 19155 6324 1 14 . 1 1 50 50 LEU H H 50 9.207 9.207 8.790 0.417 19155 6325 1 14 . 1 1 51 51 ASN N N 51 117.124 117.124 117.121 0.003 19155 6326 1 14 . 1 1 51 51 ASN HA H 51 4.535 4.535 4.407 0.128 19155 6327 1 14 . 1 1 51 51 ASN C C 51 177.522 177.522 177.526 -0.004 19155 6328 1 14 . 1 1 51 51 ASN CA C 51 56.240 56.240 56.578 -0.338 19155 6329 1 14 . 1 1 51 51 ASN CB C 51 37.898 37.898 38.510 -0.612 19155 6330 1 14 . 1 1 51 51 ASN H H 51 7.634 7.634 7.926 -0.292 19155 6331 1 14 . 1 1 52 52 LYS N N 52 119.154 119.154 118.862 0.292 19155 6332 1 14 . 1 1 52 52 LYS HA H 52 4.037 4.037 3.994 0.043 19155 6333 1 14 . 1 1 52 52 LYS C C 52 179.905 179.905 178.258 1.647 19155 6334 1 14 . 1 1 52 52 LYS CA C 52 59.803 59.803 59.372 0.431 19155 6335 1 14 . 1 1 52 52 LYS CB C 52 33.215 33.215 32.210 1.005 19155 6336 1 14 . 1 1 52 52 LYS H H 52 7.663 7.663 7.677 -0.014 19155 6337 1 14 . 1 1 53 53 ILE N N 53 121.662 121.662 120.710 0.952 19155 6338 1 14 . 1 1 53 53 ILE HA H 53 3.532 3.532 3.881 -0.349 19155 6339 1 14 . 1 1 53 53 ILE C C 53 178.489 178.489 177.002 1.487 19155 6340 1 14 . 1 1 53 53 ILE CA C 53 65.906 65.906 65.355 0.551 19155 6341 1 14 . 1 1 53 53 ILE CB C 53 38.249 38.249 38.571 -0.322 19155 6342 1 14 . 1 1 53 53 ILE H H 53 8.493 8.493 8.068 0.425 19155 6343 1 14 . 1 1 54 54 VAL N N 54 119.477 119.477 119.675 -0.198 19155 6344 1 14 . 1 1 54 54 VAL HA H 54 3.647 3.647 3.720 -0.073 19155 6345 1 14 . 1 1 54 54 VAL C C 54 176.683 176.683 176.930 -0.247 19155 6346 1 14 . 1 1 54 54 VAL CA C 54 66.643 66.643 65.608 1.035 19155 6347 1 14 . 1 1 54 54 VAL CB C 54 31.448 31.448 31.342 0.106 19155 6348 1 14 . 1 1 54 54 VAL H H 54 7.598 7.598 8.388 -0.790 19155 6349 1 14 . 1 1 55 55 GLU N N 55 114.467 114.467 117.186 -2.719 19155 6350 1 14 . 1 1 55 55 GLU HA H 55 4.281 4.281 4.375 -0.094 19155 6351 1 14 . 1 1 55 55 GLU C C 55 176.914 176.914 175.928 0.986 19155 6352 1 14 . 1 1 55 55 GLU CA C 55 56.195 56.195 56.245 -0.050 19155 6353 1 14 . 1 1 55 55 GLU CB C 55 30.354 30.354 30.168 0.186 19155 6354 1 14 . 1 1 55 55 GLU H H 55 7.064 7.064 7.686 -0.622 19155 6355 1 14 . 1 1 56 56 SER N N 56 116.806 116.806 114.649 2.157 19155 6356 1 14 . 1 1 56 56 SER HA H 56 4.435 4.435 4.335 0.100 19155 6357 1 14 . 1 1 56 56 SER C C 56 175.566 175.566 175.379 0.187 19155 6358 1 14 . 1 1 56 56 SER CA C 56 60.163 60.163 59.654 0.509 19155 6359 1 14 . 1 1 56 56 SER CB C 56 64.439 64.439 63.868 0.571 19155 6360 1 14 . 1 1 56 56 SER H H 56 7.504 7.504 7.342 0.162 19155 6361 1 14 . 1 1 57 57 THR N N 57 111.347 111.347 122.420 -11.073 19155 6362 1 14 . 1 1 57 57 THR HA H 57 4.539 4.539 4.467 0.072 19155 6363 1 14 . 1 1 57 57 THR C C 57 174.424 174.424 173.516 0.908 19155 6364 1 14 . 1 1 57 57 THR CA C 57 61.518 61.518 61.712 -0.194 19155 6365 1 14 . 1 1 57 57 THR CB C 57 70.377 70.377 68.949 1.428 19155 6366 1 14 . 1 1 57 57 THR H H 57 9.083 9.083 8.768 0.315 19155 6367 1 14 . 1 1 58 58 SER N N 58 115.415 115.415 118.032 -2.617 19155 6368 1 14 . 1 1 58 58 SER HA H 58 5.059 5.059 4.761 0.298 19155 6369 1 14 . 1 1 58 58 SER C C 58 174.278 174.278 174.299 -0.021 19155 6370 1 14 . 1 1 58 58 SER CA C 58 56.928 56.928 57.282 -0.354 19155 6371 1 14 . 1 1 58 58 SER CB C 58 66.570 66.570 65.479 1.091 19155 6372 1 14 . 1 1 58 58 SER H H 58 7.689 7.689 7.740 -0.051 19155 6373 1 14 . 1 1 59 59 GLU N N 59 124.305 124.305 127.747 -3.442 19155 6374 1 14 . 1 1 59 59 GLU HA H 59 3.990 3.990 4.062 -0.072 19155 6375 1 14 . 1 1 59 59 GLU C C 59 179.113 179.113 177.349 1.764 19155 6376 1 14 . 1 1 59 59 GLU CA C 59 60.159 60.159 59.261 0.898 19155 6377 1 14 . 1 1 59 59 GLU CB C 59 29.616 29.616 29.375 0.241 19155 6378 1 14 . 1 1 59 59 GLU H H 59 9.719 9.719 9.118 0.601 19155 6379 1 14 . 1 1 60 60 SER N N 60 115.406 115.406 114.466 0.940 19155 6380 1 14 . 1 1 60 60 SER HA H 60 4.249 4.249 4.279 -0.030 19155 6381 1 14 . 1 1 60 60 SER C C 60 177.307 177.307 176.975 0.332 19155 6382 1 14 . 1 1 60 60 SER CA C 60 61.259 61.259 60.103 1.155 19155 6383 1 14 . 1 1 60 60 SER CB C 60 61.960 61.960 63.100 -1.140 19155 6384 1 14 . 1 1 60 60 SER H H 60 8.614 8.614 8.099 0.515 19155 6385 1 14 . 1 1 61 61 GLN N N 61 121.656 121.656 122.355 -0.699 19155 6386 1 14 . 1 1 61 61 GLN HA H 61 4.107 4.107 4.182 -0.075 19155 6387 1 14 . 1 1 61 61 GLN C C 61 178.777 178.777 177.533 1.244 19155 6388 1 14 . 1 1 61 61 GLN CA C 61 58.743 58.743 58.257 0.486 19155 6389 1 14 . 1 1 61 61 GLN CB C 61 28.900 28.900 28.016 0.884 19155 6390 1 14 . 1 1 61 61 GLN H H 61 7.669 7.669 8.318 -0.649 19155 6391 1 14 . 1 1 62 62 LEU N N 62 118.689 118.689 119.211 -0.522 19155 6392 1 14 . 1 1 62 62 LEU HA H 62 4.035 4.035 3.939 0.096 19155 6393 1 14 . 1 1 62 62 LEU C C 62 178.363 178.363 179.245 -0.882 19155 6394 1 14 . 1 1 62 62 LEU CA C 62 58.725 58.725 57.993 0.732 19155 6395 1 14 . 1 1 62 62 LEU CB C 62 41.836 41.836 41.617 0.219 19155 6396 1 14 . 1 1 62 62 LEU H H 62 7.736 7.736 7.691 0.045 19155 6397 1 14 . 1 1 63 63 GLN N N 63 117.441 117.441 117.026 0.415 19155 6398 1 14 . 1 1 63 63 GLN HA H 63 4.078 4.078 4.047 0.031 19155 6399 1 14 . 1 1 63 63 GLN C C 63 179.312 179.312 178.567 0.745 19155 6400 1 14 . 1 1 63 63 GLN CA C 63 59.062 59.062 58.510 0.552 19155 6401 1 14 . 1 1 63 63 GLN CB C 63 27.819 27.819 28.783 -0.964 19155 6402 1 14 . 1 1 63 63 GLN H H 63 7.943 7.943 7.567 0.376 19155 6403 1 14 . 1 1 64 64 ILE N N 64 120.406 120.406 120.012 0.394 19155 6404 1 14 . 1 1 64 64 ILE HA H 64 3.809 3.809 3.864 -0.055 19155 6405 1 14 . 1 1 64 64 ILE C C 64 178.734 178.734 177.994 0.740 19155 6406 1 14 . 1 1 64 64 ILE CA C 64 64.722 64.722 62.578 2.144 19155 6407 1 14 . 1 1 64 64 ILE CB C 64 37.971 37.971 36.788 1.183 19155 6408 1 14 . 1 1 64 64 ILE H H 64 7.544 7.544 7.357 0.187 19155 6409 1 14 . 1 1 65 65 LEU N N 65 120.247 120.247 120.009 0.238 19155 6410 1 14 . 1 1 65 65 LEU HA H 65 4.212 4.212 4.182 0.030 19155 6411 1 14 . 1 1 65 65 LEU C C 65 179.685 179.685 179.437 0.248 19155 6412 1 14 . 1 1 65 65 LEU CA C 65 58.004 58.004 58.161 -0.157 19155 6413 1 14 . 1 1 65 65 LEU CB C 65 42.553 42.553 41.258 1.295 19155 6414 1 14 . 1 1 65 65 LEU H H 65 8.361 8.361 8.601 -0.240 19155 6415 1 14 . 1 1 66 66 MET N N 66 118.685 118.685 118.008 0.677 19155 6416 1 14 . 1 1 66 66 MET HA H 66 3.918 3.918 4.182 -0.264 19155 6417 1 14 . 1 1 66 66 MET C C 66 178.906 178.906 178.649 0.257 19155 6418 1 14 . 1 1 66 66 MET CA C 66 59.467 59.467 59.043 0.424 19155 6419 1 14 . 1 1 66 66 MET CB C 66 33.519 33.519 32.567 0.952 19155 6420 1 14 . 1 1 66 66 MET H H 66 8.458 8.458 7.651 0.807 19155 6421 1 14 . 1 1 67 67 MET N N 67 118.685 118.685 118.807 -0.122 19155 6422 1 14 . 1 1 67 67 MET HA H 67 4.098 4.098 4.197 -0.099 19155 6423 1 14 . 1 1 67 67 MET C C 67 178.781 178.781 178.374 0.407 19155 6424 1 14 . 1 1 67 67 MET CA C 67 58.379 58.379 58.413 -0.035 19155 6425 1 14 . 1 1 67 67 MET CB C 67 32.031 32.031 31.621 0.410 19155 6426 1 14 . 1 1 67 67 MET H H 67 7.559 7.559 7.536 0.023 19155 6427 1 14 . 1 1 68 68 GLU N N 68 122.128 122.128 120.278 1.850 19155 6428 1 14 . 1 1 68 68 GLU HA H 68 3.990 3.990 3.913 0.077 19155 6429 1 14 . 1 1 68 68 GLU C C 68 178.803 178.803 179.127 -0.324 19155 6430 1 14 . 1 1 68 68 GLU CA C 68 59.459 59.459 59.962 -0.503 19155 6431 1 14 . 1 1 68 68 GLU CB C 68 30.706 30.706 29.522 1.184 19155 6432 1 14 . 1 1 68 68 GLU H H 68 8.895 8.895 8.816 0.079 19155 6433 1 14 . 1 1 69 69 SER N N 69 114.769 114.769 114.326 0.443 19155 6434 1 14 . 1 1 69 69 SER HA H 69 2.872 2.872 3.618 -0.746 19155 6435 1 14 . 1 1 69 69 SER C C 69 175.801 175.801 176.805 -1.004 19155 6436 1 14 . 1 1 69 69 SER CA C 69 62.000 62.000 61.559 0.441 19155 6437 1 14 . 1 1 69 69 SER CB C 69 62.282 62.282 62.457 -0.175 19155 6438 1 14 . 1 1 69 69 SER H H 69 8.161 8.161 7.963 0.199 19155 6439 1 14 . 1 1 70 70 ARG N N 70 120.552 120.552 122.266 -1.714 19155 6440 1 14 . 1 1 70 70 ARG HA H 70 3.744 3.744 4.195 -0.451 19155 6441 1 14 . 1 1 70 70 ARG C C 70 177.654 177.654 178.664 -1.010 19155 6442 1 14 . 1 1 70 70 ARG CA C 70 59.793 59.793 59.922 -0.129 19155 6443 1 14 . 1 1 70 70 ARG CB C 70 29.974 29.974 30.034 -0.060 19155 6444 1 14 . 1 1 70 70 ARG H H 70 6.945 6.945 8.020 -1.075 19155 6445 1 14 . 1 1 71 71 SER N N 71 113.064 113.064 115.415 -2.351 19155 6446 1 14 . 1 1 71 71 SER HA H 71 4.275 4.275 4.178 0.097 19155 6447 1 14 . 1 1 71 71 SER C C 71 177.491 177.491 176.434 1.057 19155 6448 1 14 . 1 1 71 71 SER CA C 71 61.571 61.571 62.240 -0.669 19155 6449 1 14 . 1 1 71 71 SER CB C 71 62.710 62.710 62.903 -0.193 19155 6450 1 14 . 1 1 71 71 SER H H 71 7.721 7.721 8.487 -0.766 19155 6451 1 14 . 1 1 72 72 LYS N N 72 121.657 121.657 122.354 -0.697 19155 6452 1 14 . 1 1 72 72 LYS HA H 72 4.170 4.170 4.118 0.052 19155 6453 1 14 . 1 1 72 72 LYS C C 72 180.429 180.429 179.078 1.351 19155 6454 1 14 . 1 1 72 72 LYS CA C 72 58.725 58.725 59.320 -0.595 19155 6455 1 14 . 1 1 72 72 LYS CB C 72 32.131 32.131 32.470 -0.339 19155 6456 1 14 . 1 1 72 72 LYS H H 72 8.414 8.414 7.883 0.531 19155 6457 1 14 . 1 1 73 73 VAL N N 73 123.222 123.222 120.609 2.613 19155 6458 1 14 . 1 1 73 73 VAL HA H 73 3.598 3.598 3.608 -0.010 19155 6459 1 14 . 1 1 73 73 VAL C C 73 176.929 176.929 177.518 -0.589 19155 6460 1 14 . 1 1 73 73 VAL CA C 73 66.975 66.975 66.948 0.027 19155 6461 1 14 . 1 1 73 73 VAL CB C 73 31.704 31.704 31.139 0.565 19155 6462 1 14 . 1 1 73 73 VAL H H 73 8.421 8.421 8.426 -0.005 19155 6463 1 14 . 1 1 74 74 ASP N N 74 120.101 120.101 119.815 0.286 19155 6464 1 14 . 1 1 74 74 ASP HA H 74 4.393 4.393 4.387 0.006 19155 6465 1 14 . 1 1 74 74 ASP C C 74 180.001 180.001 178.144 1.857 19155 6466 1 14 . 1 1 74 74 ASP CA C 74 57.324 57.324 57.721 -0.397 19155 6467 1 14 . 1 1 74 74 ASP CB C 74 39.326 39.326 41.124 -1.798 19155 6468 1 14 . 1 1 74 74 ASP H H 74 8.674 8.674 8.560 0.114 19155 6469 1 14 . 1 1 75 75 GLU N N 75 121.349 121.349 120.348 1.001 19155 6470 1 14 . 1 1 75 75 GLU HA H 75 4.113 4.113 4.078 0.035 19155 6471 1 14 . 1 1 75 75 GLU C C 75 178.732 178.732 178.409 0.323 19155 6472 1 14 . 1 1 75 75 GLU CA C 75 59.083 59.083 59.129 -0.046 19155 6473 1 14 . 1 1 75 75 GLU CB C 75 29.975 29.975 29.751 0.224 19155 6474 1 14 . 1 1 75 75 GLU H H 75 8.475 8.475 7.976 0.499 19155 6475 1 14 . 1 1 76 76 ALA N N 76 124.160 124.160 123.248 0.912 19155 6476 1 14 . 1 1 76 76 ALA HA H 76 4.281 4.281 4.283 -0.002 19155 6477 1 14 . 1 1 76 76 ALA C C 76 179.906 179.906 179.898 0.008 19155 6478 1 14 . 1 1 76 76 ALA CA C 76 55.530 55.530 55.242 0.288 19155 6479 1 14 . 1 1 76 76 ALA CB C 76 17.424 17.424 18.607 -1.183 19155 6480 1 14 . 1 1 76 76 ALA H H 76 7.944 7.944 8.267 -0.323 19155 6481 1 14 . 1 1 77 77 VAL N N 77 117.439 117.439 118.885 -1.446 19155 6482 1 14 . 1 1 77 77 VAL HA H 77 3.644 3.644 3.634 0.010 19155 6483 1 14 . 1 1 77 77 VAL C C 77 178.784 178.784 178.024 0.760 19155 6484 1 14 . 1 1 77 77 VAL CA C 77 66.958 66.958 66.908 0.050 19155 6485 1 14 . 1 1 77 77 VAL CB C 77 31.807 31.807 31.316 0.491 19155 6486 1 14 . 1 1 77 77 VAL H H 77 8.204 8.204 8.329 -0.125 19155 6487 1 14 . 1 1 78 78 SER N N 78 113.687 113.687 114.554 -0.867 19155 6488 1 14 . 1 1 78 78 SER HA H 78 4.266 4.266 4.365 -0.099 19155 6489 1 14 . 1 1 78 78 SER C C 78 176.762 176.762 175.961 0.801 19155 6490 1 14 . 1 1 78 78 SER CA C 78 61.241 61.241 61.002 0.239 19155 6491 1 14 . 1 1 78 78 SER CB C 78 62.678 62.678 63.053 -0.375 19155 6492 1 14 . 1 1 78 78 SER H H 78 7.935 7.935 7.864 0.071 19155 6493 1 14 . 1 1 79 79 LYS N N 79 121.029 121.029 120.985 0.044 19155 6494 1 14 . 1 1 79 79 LYS HA H 79 4.070 4.070 4.083 -0.013 19155 6495 1 14 . 1 1 79 79 LYS C C 79 178.135 178.135 178.957 -0.822 19155 6496 1 14 . 1 1 79 79 LYS CA C 79 58.723 58.723 59.127 -0.404 19155 6497 1 14 . 1 1 79 79 LYS CB C 79 32.489 32.489 32.790 -0.301 19155 6498 1 14 . 1 1 79 79 LYS H H 79 7.989 7.989 7.663 0.326 19155 6499 1 14 . 1 1 80 80 PHE N N 80 117.437 117.437 118.408 -0.971 19155 6500 1 14 . 1 1 80 80 PHE HA H 80 4.490 4.490 4.451 0.039 19155 6501 1 14 . 1 1 80 80 PHE C C 80 176.236 176.236 177.340 -1.104 19155 6502 1 14 . 1 1 80 80 PHE CA C 80 59.444 59.444 60.371 -0.927 19155 6503 1 14 . 1 1 80 80 PHE CB C 80 40.032 40.032 39.137 0.895 19155 6504 1 14 . 1 1 80 80 PHE H H 80 7.838 7.838 8.405 -0.567 19155 6505 1 14 . 1 1 81 81 GLU N N 81 120.092 120.092 118.235 1.857 19155 6506 1 14 . 1 1 81 81 GLU HA H 81 4.290 4.290 4.252 0.038 19155 6507 1 14 . 1 1 81 81 GLU C C 81 175.715 175.715 177.019 -1.304 19155 6508 1 14 . 1 1 81 81 GLU CA C 81 56.928 56.928 57.200 -0.272 19155 6509 1 14 . 1 1 81 81 GLU CB C 81 29.997 29.997 29.765 0.232 19155 6510 1 14 . 1 1 81 81 GLU H H 81 7.864 7.864 8.525 -0.661 19155 6511 1 15 . 1 1 2 2 ASP N N 2 119.961 119.961 121.086 -1.125 19155 6512 1 15 . 1 1 2 2 ASP HA H 2 4.440 4.440 4.576 -0.136 19155 6513 1 15 . 1 1 2 2 ASP C C 2 178.594 178.594 177.638 0.956 19155 6514 1 15 . 1 1 2 2 ASP CA C 2 57.997 57.997 57.623 0.374 19155 6515 1 15 . 1 1 2 2 ASP CB C 2 40.098 40.098 40.849 -0.751 19155 6516 1 15 . 1 1 2 2 ASP H H 2 8.260 8.260 8.802 -0.542 19155 6517 1 15 . 1 1 3 3 SER N N 3 115.401 115.401 114.370 1.031 19155 6518 1 15 . 1 1 3 3 SER HA H 3 4.358 4.358 4.328 0.030 19155 6519 1 15 . 1 1 3 3 SER C C 3 177.657 177.657 176.341 1.316 19155 6520 1 15 . 1 1 3 3 SER CA C 3 60.656 60.656 60.674 -0.018 19155 6521 1 15 . 1 1 3 3 SER CB C 3 62.319 62.319 62.979 -0.660 19155 6522 1 15 . 1 1 3 3 SER H H 3 8.112 8.112 8.231 -0.119 19155 6523 1 15 . 1 1 4 4 GLU N N 4 122.287 122.287 122.467 -0.180 19155 6524 1 15 . 1 1 4 4 GLU HA H 4 4.045 4.045 4.226 -0.181 19155 6525 1 15 . 1 1 4 4 GLU C C 4 180.035 180.035 178.688 1.347 19155 6526 1 15 . 1 1 4 4 GLU CA C 4 59.072 59.072 58.747 0.325 19155 6527 1 15 . 1 1 4 4 GLU CB C 4 28.538 28.538 29.181 -0.643 19155 6528 1 15 . 1 1 4 4 GLU H H 4 8.472 8.472 8.572 -0.100 19155 6529 1 15 . 1 1 5 5 ARG N N 5 121.026 121.026 119.576 1.450 19155 6530 1 15 . 1 1 5 5 ARG HA H 5 3.894 3.894 4.055 -0.161 19155 6531 1 15 . 1 1 5 5 ARG C C 5 178.298 178.298 178.304 -0.006 19155 6532 1 15 . 1 1 5 5 ARG CA C 5 60.564 60.564 59.141 1.423 19155 6533 1 15 . 1 1 5 5 ARG CB C 5 30.681 30.681 29.757 0.924 19155 6534 1 15 . 1 1 5 5 ARG H H 5 8.771 8.771 8.278 0.493 19155 6535 1 15 . 1 1 6 6 ASP N N 6 119.775 119.775 120.059 -0.284 19155 6536 1 15 . 1 1 6 6 ASP HA H 6 4.455 4.455 4.440 0.015 19155 6537 1 15 . 1 1 6 6 ASP C C 6 178.676 178.676 178.376 0.300 19155 6538 1 15 . 1 1 6 6 ASP CA C 6 57.956 57.956 57.341 0.615 19155 6539 1 15 . 1 1 6 6 ASP CB C 6 40.774 40.774 40.697 0.077 19155 6540 1 15 . 1 1 6 6 ASP H H 6 7.889 7.889 8.135 -0.246 19155 6541 1 15 . 1 1 7 7 LYS N N 7 119.937 119.937 119.706 0.231 19155 6542 1 15 . 1 1 7 7 LYS HA H 7 4.014 4.014 3.980 0.034 19155 6543 1 15 . 1 1 7 7 LYS C C 7 178.977 178.977 178.614 0.363 19155 6544 1 15 . 1 1 7 7 LYS CA C 7 59.793 59.793 59.546 0.247 19155 6545 1 15 . 1 1 7 7 LYS CB C 7 32.850 32.850 32.417 0.433 19155 6546 1 15 . 1 1 7 7 LYS H H 7 7.950 7.950 7.541 0.409 19155 6547 1 15 . 1 1 8 8 ALA N N 8 122.436 122.436 121.788 0.648 19155 6548 1 15 . 1 1 8 8 ALA HA H 8 4.478 4.478 4.182 0.296 19155 6549 1 15 . 1 1 8 8 ALA C C 8 178.764 178.764 179.506 -0.742 19155 6550 1 15 . 1 1 8 8 ALA CA C 8 55.168 55.168 54.888 0.280 19155 6551 1 15 . 1 1 8 8 ALA CB C 8 19.502 19.502 18.544 0.958 19155 6552 1 15 . 1 1 8 8 ALA H H 8 7.976 7.976 8.017 -0.041 19155 6553 1 15 . 1 1 9 9 ARG N N 9 118.059 118.059 116.645 1.414 19155 6554 1 15 . 1 1 9 9 ARG HA H 9 3.801 3.801 4.018 -0.217 19155 6555 1 15 . 1 1 9 9 ARG C C 9 177.874 177.874 178.260 -0.386 19155 6556 1 15 . 1 1 9 9 ARG CA C 9 59.794 59.794 59.129 0.665 19155 6557 1 15 . 1 1 9 9 ARG CB C 9 29.989 29.989 29.711 0.278 19155 6558 1 15 . 1 1 9 9 ARG H H 9 8.489 8.489 8.471 0.018 19155 6559 1 15 . 1 1 10 10 LYS N N 10 118.064 118.064 119.870 -1.806 19155 6560 1 15 . 1 1 10 10 LYS HA H 10 4.138 4.138 4.082 0.056 19155 6561 1 15 . 1 1 10 10 LYS C C 10 178.619 178.619 179.037 -0.418 19155 6562 1 15 . 1 1 10 10 LYS CA C 10 59.421 59.421 59.214 0.207 19155 6563 1 15 . 1 1 10 10 LYS CB C 10 32.467 32.467 31.931 0.536 19155 6564 1 15 . 1 1 10 10 LYS H H 10 7.833 7.833 7.681 0.152 19155 6565 1 15 . 1 1 11 11 GLU N N 11 118.845 118.845 119.357 -0.512 19155 6566 1 15 . 1 1 11 11 GLU HA H 11 4.107 4.107 4.083 0.024 19155 6567 1 15 . 1 1 11 11 GLU C C 11 180.137 180.137 179.027 1.110 19155 6568 1 15 . 1 1 11 11 GLU CA C 11 59.803 59.803 59.660 0.143 19155 6569 1 15 . 1 1 11 11 GLU CB C 11 29.248 29.248 29.518 -0.270 19155 6570 1 15 . 1 1 11 11 GLU H H 11 7.991 7.991 8.185 -0.194 19155 6571 1 15 . 1 1 12 12 VAL N N 12 120.562 120.562 115.456 5.106 19155 6572 1 15 . 1 1 12 12 VAL HA H 12 3.851 3.851 3.950 -0.099 19155 6573 1 15 . 1 1 12 12 VAL C C 12 178.182 178.182 177.819 0.363 19155 6574 1 15 . 1 1 12 12 VAL CA C 12 66.625 66.625 65.560 1.065 19155 6575 1 15 . 1 1 12 12 VAL CB C 12 31.784 31.784 31.003 0.781 19155 6576 1 15 . 1 1 12 12 VAL H H 12 8.173 8.173 7.357 0.816 19155 6577 1 15 . 1 1 13 13 GLU N N 13 117.912 117.912 121.935 -4.023 19155 6578 1 15 . 1 1 13 13 GLU HA H 13 3.841 3.841 3.913 -0.072 19155 6579 1 15 . 1 1 13 13 GLU C C 13 179.959 179.959 178.982 0.977 19155 6580 1 15 . 1 1 13 13 GLU CA C 13 60.498 60.498 60.700 -0.202 19155 6581 1 15 . 1 1 13 13 GLU CB C 13 30.014 30.014 29.612 0.402 19155 6582 1 15 . 1 1 13 13 GLU H H 13 8.624 8.624 8.581 0.043 19155 6583 1 15 . 1 1 14 14 GLU N N 14 117.909 117.909 118.895 -0.986 19155 6584 1 15 . 1 1 14 14 GLU HA H 14 4.025 4.025 4.056 -0.031 19155 6585 1 15 . 1 1 14 14 GLU C C 14 179.020 179.020 178.934 0.086 19155 6586 1 15 . 1 1 14 14 GLU CA C 14 59.442 59.442 59.093 0.349 19155 6587 1 15 . 1 1 14 14 GLU CB C 14 29.257 29.257 29.176 0.081 19155 6588 1 15 . 1 1 14 14 GLU H H 14 8.904 8.904 8.388 0.516 19155 6589 1 15 . 1 1 15 15 TYR N N 15 122.592 122.592 121.402 1.190 19155 6590 1 15 . 1 1 15 15 TYR HA H 15 4.359 4.359 4.190 0.169 19155 6591 1 15 . 1 1 15 15 TYR C C 15 177.581 177.581 177.487 0.094 19155 6592 1 15 . 1 1 15 15 TYR CA C 15 62.430 62.430 60.702 1.728 19155 6593 1 15 . 1 1 15 15 TYR CB C 15 38.541 38.541 38.514 0.027 19155 6594 1 15 . 1 1 15 15 TYR H H 15 8.170 8.170 7.803 0.367 19155 6595 1 15 . 1 1 16 16 VAL N N 16 116.497 116.497 119.737 -3.240 19155 6596 1 15 . 1 1 16 16 VAL HA H 16 3.386 3.386 3.372 0.014 19155 6597 1 15 . 1 1 16 16 VAL C C 16 177.221 177.221 177.537 -0.316 19155 6598 1 15 . 1 1 16 16 VAL CA C 16 68.053 68.053 66.966 1.087 19155 6599 1 15 . 1 1 16 16 VAL CB C 16 31.427 31.427 31.558 -0.131 19155 6600 1 15 . 1 1 16 16 VAL H H 16 7.953 7.953 8.082 -0.129 19155 6601 1 15 . 1 1 17 17 LYS N N 17 118.530 118.530 118.660 -0.130 19155 6602 1 15 . 1 1 17 17 LYS HA H 17 3.922 3.922 3.942 -0.020 19155 6603 1 15 . 1 1 17 17 LYS C C 17 179.742 179.742 178.828 0.914 19155 6604 1 15 . 1 1 17 17 LYS CA C 17 60.145 60.145 59.529 0.616 19155 6605 1 15 . 1 1 17 17 LYS CB C 17 32.827 32.827 31.752 1.075 19155 6606 1 15 . 1 1 17 17 LYS H H 17 8.274 8.274 8.022 0.252 19155 6607 1 15 . 1 1 18 18 LYS N N 18 121.031 121.031 120.957 0.074 19155 6608 1 15 . 1 1 18 18 LYS HA H 18 4.018 4.018 4.102 -0.084 19155 6609 1 15 . 1 1 18 18 LYS C C 18 178.962 178.962 178.465 0.497 19155 6610 1 15 . 1 1 18 18 LYS CA C 18 59.085 59.085 59.502 -0.417 19155 6611 1 15 . 1 1 18 18 LYS CB C 18 32.132 32.132 32.670 -0.538 19155 6612 1 15 . 1 1 18 18 LYS H H 18 7.946 7.946 7.892 0.054 19155 6613 1 15 . 1 1 19 19 ILE N N 19 120.718 120.718 119.886 0.832 19155 6614 1 15 . 1 1 19 19 ILE HA H 19 3.727 3.727 3.706 0.021 19155 6615 1 15 . 1 1 19 19 ILE C C 19 172.120 172.120 178.451 -6.331 19155 6616 1 15 . 1 1 19 19 ILE CA C 19 62.128 62.128 64.185 -2.057 19155 6617 1 15 . 1 1 19 19 ILE CB C 19 35.988 35.988 36.889 -0.901 19155 6618 1 15 . 1 1 19 19 ILE H H 19 7.796 7.796 8.064 -0.268 19155 6619 1 15 . 1 1 20 20 VAL N N 20 124.792 124.792 120.381 4.411 19155 6620 1 15 . 1 1 20 20 VAL HA H 20 3.312 3.312 3.643 -0.331 19155 6621 1 15 . 1 1 20 20 VAL C C 20 177.873 177.873 178.712 -0.839 19155 6622 1 15 . 1 1 20 20 VAL CA C 20 67.738 67.738 66.745 0.993 19155 6623 1 15 . 1 1 20 20 VAL CB C 20 31.772 31.772 31.055 0.716 19155 6624 1 15 . 1 1 20 20 VAL H H 20 9.190 9.190 8.342 0.848 19155 6625 1 15 . 1 1 21 21 GLY N N 21 106.034 106.034 107.336 -1.302 19155 6626 1 15 . 1 1 21 21 GLY C C 21 177.470 177.470 176.389 1.081 19155 6627 1 15 . 1 1 21 21 GLY CA C 21 47.226 47.226 47.276 -0.050 19155 6628 1 15 . 1 1 21 21 GLY H H 21 8.117 8.117 8.204 -0.087 19155 6629 1 15 . 1 1 22 22 GLU N N 22 122.282 122.282 121.186 1.096 19155 6630 1 15 . 1 1 22 22 GLU HA H 22 4.104 4.104 4.212 -0.108 19155 6631 1 15 . 1 1 22 22 GLU C C 22 178.827 178.827 179.041 -0.214 19155 6632 1 15 . 1 1 22 22 GLU CA C 22 59.016 59.016 58.598 0.418 19155 6633 1 15 . 1 1 22 22 GLU CB C 22 29.619 29.619 29.209 0.410 19155 6634 1 15 . 1 1 22 22 GLU H H 22 8.197 8.197 8.490 -0.293 19155 6635 1 15 . 1 1 23 23 SER N N 23 116.812 116.812 117.039 -0.227 19155 6636 1 15 . 1 1 23 23 SER HA H 23 4.201 4.201 4.166 0.035 19155 6637 1 15 . 1 1 23 23 SER C C 23 177.084 177.084 176.356 0.728 19155 6638 1 15 . 1 1 23 23 SER CA C 23 61.998 61.998 62.153 -0.155 19155 6639 1 15 . 1 1 23 23 SER CB C 23 62.105 62.105 62.362 -0.257 19155 6640 1 15 . 1 1 23 23 SER H H 23 8.285 8.285 7.989 0.296 19155 6641 1 15 . 1 1 24 24 TYR N N 24 120.879 120.879 123.426 -2.547 19155 6642 1 15 . 1 1 24 24 TYR HA H 24 4.396 4.396 4.604 -0.208 19155 6643 1 15 . 1 1 24 24 TYR C C 24 178.846 178.846 178.750 0.096 19155 6644 1 15 . 1 1 24 24 TYR CA C 24 61.189 61.189 60.914 0.275 19155 6645 1 15 . 1 1 24 24 TYR CB C 24 37.866 37.866 37.760 0.106 19155 6646 1 15 . 1 1 24 24 TYR H H 24 8.254 8.254 7.582 0.672 19155 6647 1 15 . 1 1 25 25 ALA N N 25 122.124 122.124 122.180 -0.056 19155 6648 1 15 . 1 1 25 25 ALA HA H 25 4.251 4.251 4.136 0.115 19155 6649 1 15 . 1 1 25 25 ALA C C 25 178.999 178.999 178.405 0.594 19155 6650 1 15 . 1 1 25 25 ALA CA C 25 54.608 54.608 54.570 0.038 19155 6651 1 15 . 1 1 25 25 ALA CB C 25 18.108 18.108 18.754 -0.646 19155 6652 1 15 . 1 1 25 25 ALA H H 25 8.018 8.018 7.638 0.380 19155 6653 1 15 . 1 1 26 26 LYS N N 26 115.251 115.251 118.208 -2.957 19155 6654 1 15 . 1 1 26 26 LYS HA H 26 4.459 4.459 4.307 0.152 19155 6655 1 15 . 1 1 26 26 LYS C C 26 176.598 176.598 176.198 0.400 19155 6656 1 15 . 1 1 26 26 LYS CA C 26 56.209 56.209 56.466 -0.257 19155 6657 1 15 . 1 1 26 26 LYS CB C 26 33.191 33.191 32.485 0.706 19155 6658 1 15 . 1 1 26 26 LYS H H 26 7.533 7.533 8.393 -0.860 19155 6659 1 15 . 1 1 27 27 SER N N 27 115.400 115.400 115.745 -0.345 19155 6660 1 15 . 1 1 27 27 SER HA H 27 4.332 4.332 4.711 -0.379 19155 6661 1 15 . 1 1 27 27 SER C C 27 174.768 174.768 173.197 1.571 19155 6662 1 15 . 1 1 27 27 SER CA C 27 58.808 58.808 57.822 0.986 19155 6663 1 15 . 1 1 27 27 SER CB C 27 63.397 63.397 65.073 -1.676 19155 6664 1 15 . 1 1 27 27 SER H H 27 7.570 7.570 7.618 -0.048 19155 6665 1 15 . 1 1 28 28 THR N N 28 114.468 114.468 115.884 -1.416 19155 6666 1 15 . 1 1 28 28 THR HA H 28 4.649 4.649 4.637 0.012 19155 6667 1 15 . 1 1 28 28 THR CA C 28 60.242 60.242 61.207 -0.965 19155 6668 1 15 . 1 1 28 28 THR CB C 28 71.544 71.544 72.013 -0.469 19155 6669 1 15 . 1 1 28 28 THR H H 28 7.725 7.725 8.168 -0.443 19155 6670 1 15 . 1 1 29 29 LYS HA H 29 4.300 4.300 3.939 0.361 19155 6671 1 15 . 1 1 29 29 LYS CA C 29 57.974 57.974 59.800 -1.826 19155 6672 1 15 . 1 1 29 29 LYS CB C 29 32.820 32.820 31.710 1.110 19155 6673 1 15 . 1 1 30 30 LYS HA H 30 4.154 4.154 4.121 0.033 19155 6674 1 15 . 1 1 30 30 LYS CA C 30 58.725 58.725 58.437 0.288 19155 6675 1 15 . 1 1 31 31 ARG HA H 31 4.533 4.533 4.589 -0.056 19155 6676 1 15 . 1 1 31 31 ARG CA C 31 56.137 56.137 54.234 1.903 19155 6677 1 15 . 1 1 31 31 ARG CB C 31 31.003 31.003 28.904 2.099 19155 6678 1 15 . 1 1 32 32 HIS HA H 32 4.570 4.570 4.487 0.083 19155 6679 1 15 . 1 1 32 32 HIS C C 32 176.136 176.136 176.605 -0.469 19155 6680 1 15 . 1 1 32 32 HIS CA C 32 58.689 58.689 58.330 0.359 19155 6681 1 15 . 1 1 32 32 HIS CB C 32 30.731 30.731 28.768 1.963 19155 6682 1 15 . 1 1 33 33 THR N N 33 111.162 111.162 114.537 -3.375 19155 6683 1 15 . 1 1 33 33 THR HA H 33 3.976 3.976 3.674 0.302 19155 6684 1 15 . 1 1 33 33 THR C C 33 176.807 176.807 176.428 0.379 19155 6685 1 15 . 1 1 33 33 THR CA C 33 65.194 65.194 65.634 -0.440 19155 6686 1 15 . 1 1 33 33 THR CB C 33 68.428 68.428 68.075 0.353 19155 6687 1 15 . 1 1 33 33 THR H H 33 8.355 8.355 7.989 0.366 19155 6688 1 15 . 1 1 34 34 ILE N N 34 123.220 123.220 121.650 1.570 19155 6689 1 15 . 1 1 34 34 ILE HA H 34 4.047 4.047 3.884 0.163 19155 6690 1 15 . 1 1 34 34 ILE C C 34 176.944 176.944 177.433 -0.489 19155 6691 1 15 . 1 1 34 34 ILE CA C 34 63.746 63.746 64.504 -0.758 19155 6692 1 15 . 1 1 34 34 ILE CB C 34 37.905 37.905 37.629 0.276 19155 6693 1 15 . 1 1 34 34 ILE H H 34 7.824 7.824 7.909 -0.085 19155 6694 1 15 . 1 1 35 35 THR N N 35 118.694 118.694 115.317 3.377 19155 6695 1 15 . 1 1 35 35 THR HA H 35 4.103 4.103 3.769 0.334 19155 6696 1 15 . 1 1 35 35 THR C C 35 175.385 175.385 176.260 -0.875 19155 6697 1 15 . 1 1 35 35 THR CA C 35 63.339 63.339 66.037 -2.698 19155 6698 1 15 . 1 1 35 35 THR CB C 35 68.428 68.428 67.958 0.470 19155 6699 1 15 . 1 1 35 35 THR H H 35 8.053 8.053 7.399 0.654 19155 6700 1 15 . 1 1 36 36 VAL N N 36 120.252 120.252 121.726 -1.474 19155 6701 1 15 . 1 1 36 36 VAL HA H 36 3.494 3.494 3.437 0.057 19155 6702 1 15 . 1 1 36 36 VAL C C 36 177.667 177.667 177.679 -0.012 19155 6703 1 15 . 1 1 36 36 VAL CA C 36 66.312 66.312 66.660 -0.349 19155 6704 1 15 . 1 1 36 36 VAL CB C 36 31.787 31.787 31.300 0.487 19155 6705 1 15 . 1 1 36 36 VAL H H 36 8.148 8.148 8.227 -0.079 19155 6706 1 15 . 1 1 37 37 ALA N N 37 121.815 121.815 122.173 -0.358 19155 6707 1 15 . 1 1 37 37 ALA HA H 37 4.168 4.168 3.986 0.182 19155 6708 1 15 . 1 1 37 37 ALA C C 37 180.404 180.404 179.131 1.273 19155 6709 1 15 . 1 1 37 37 ALA CA C 37 55.062 55.062 54.967 0.096 19155 6710 1 15 . 1 1 37 37 ALA CB C 37 18.114 18.114 18.322 -0.207 19155 6711 1 15 . 1 1 37 37 ALA H H 37 7.526 7.526 7.670 -0.144 19155 6712 1 15 . 1 1 38 38 LEU N N 38 122.124 122.124 119.264 2.860 19155 6713 1 15 . 1 1 38 38 LEU HA H 38 3.574 3.574 3.188 0.386 19155 6714 1 15 . 1 1 38 38 LEU C C 38 177.815 177.815 178.400 -0.585 19155 6715 1 15 . 1 1 38 38 LEU CA C 38 57.671 57.671 56.884 0.787 19155 6716 1 15 . 1 1 38 38 LEU CB C 38 40.383 40.383 41.349 -0.966 19155 6717 1 15 . 1 1 38 38 LEU H H 38 7.987 7.987 7.474 0.513 19155 6718 1 15 . 1 1 39 39 VAL N N 39 119.627 119.627 119.409 0.218 19155 6719 1 15 . 1 1 39 39 VAL HA H 39 3.295 3.295 3.356 -0.061 19155 6720 1 15 . 1 1 39 39 VAL C C 39 178.084 178.084 177.663 0.421 19155 6721 1 15 . 1 1 39 39 VAL CA C 39 67.710 67.710 67.521 0.189 19155 6722 1 15 . 1 1 39 39 VAL CB C 39 31.393 31.393 31.221 0.172 19155 6723 1 15 . 1 1 39 39 VAL H H 39 8.410 8.410 8.506 -0.096 19155 6724 1 15 . 1 1 40 40 ASN N N 40 117.904 117.904 117.303 0.601 19155 6725 1 15 . 1 1 40 40 ASN HA H 40 4.528 4.528 4.362 0.166 19155 6726 1 15 . 1 1 40 40 ASN C C 40 177.814 177.814 177.792 0.022 19155 6727 1 15 . 1 1 40 40 ASN CA C 40 56.214 56.214 56.647 -0.433 19155 6728 1 15 . 1 1 40 40 ASN CB C 40 37.990 37.990 38.378 -0.388 19155 6729 1 15 . 1 1 40 40 ASN H H 40 8.211 8.211 7.730 0.481 19155 6730 1 15 . 1 1 41 41 GLU N N 41 122.117 122.117 121.242 0.875 19155 6731 1 15 . 1 1 41 41 GLU HA H 41 4.330 4.330 4.181 0.149 19155 6732 1 15 . 1 1 41 41 GLU C C 41 179.186 179.186 178.493 0.693 19155 6733 1 15 . 1 1 41 41 GLU CA C 41 59.444 59.444 58.667 0.777 19155 6734 1 15 . 1 1 41 41 GLU CB C 41 28.935 28.935 29.257 -0.322 19155 6735 1 15 . 1 1 41 41 GLU H H 41 7.895 7.895 7.370 0.525 19155 6736 1 15 . 1 1 42 42 LEU N N 42 118.997 118.997 119.313 -0.316 19155 6737 1 15 . 1 1 42 42 LEU HA H 42 4.036 4.036 3.796 0.240 19155 6738 1 15 . 1 1 42 42 LEU C C 42 179.072 179.072 178.840 0.232 19155 6739 1 15 . 1 1 42 42 LEU CA C 42 58.028 58.028 58.218 -0.190 19155 6740 1 15 . 1 1 42 42 LEU CB C 42 41.053 41.053 41.322 -0.269 19155 6741 1 15 . 1 1 42 42 LEU H H 42 8.915 8.915 8.604 0.311 19155 6742 1 15 . 1 1 43 43 ASN N N 43 117.439 117.439 117.337 0.102 19155 6743 1 15 . 1 1 43 43 ASN HA H 43 4.560 4.560 4.385 0.175 19155 6744 1 15 . 1 1 43 43 ASN C C 43 177.692 177.692 177.185 0.507 19155 6745 1 15 . 1 1 43 43 ASN CA C 43 56.224 56.224 56.957 -0.733 19155 6746 1 15 . 1 1 43 43 ASN CB C 43 38.241 38.241 38.358 -0.117 19155 6747 1 15 . 1 1 43 43 ASN H H 43 8.436 8.436 8.561 -0.125 19155 6748 1 15 . 1 1 44 44 ASN N N 44 121.188 121.188 119.554 1.634 19155 6749 1 15 . 1 1 44 44 ASN HA H 44 4.647 4.647 4.562 0.085 19155 6750 1 15 . 1 1 44 44 ASN C C 44 178.704 178.704 177.638 1.066 19155 6751 1 15 . 1 1 44 44 ASN CA C 44 56.233 56.233 56.002 0.231 19155 6752 1 15 . 1 1 44 44 ASN CB C 44 37.466 37.466 38.469 -1.003 19155 6753 1 15 . 1 1 44 44 ASN H H 44 8.079 8.079 7.523 0.556 19155 6754 1 15 . 1 1 45 45 ILE N N 45 124.315 124.315 120.719 3.596 19155 6755 1 15 . 1 1 45 45 ILE HA H 45 3.985 3.985 3.769 0.216 19155 6756 1 15 . 1 1 45 45 ILE C C 45 177.925 177.925 177.766 0.159 19155 6757 1 15 . 1 1 45 45 ILE CA C 45 65.578 65.578 65.579 -0.001 19155 6758 1 15 . 1 1 45 45 ILE CB C 45 38.903 38.903 37.650 1.253 19155 6759 1 15 . 1 1 45 45 ILE H H 45 8.533 8.533 8.405 0.128 19155 6760 1 15 . 1 1 46 46 LYS N N 46 119.624 119.624 120.838 -1.214 19155 6761 1 15 . 1 1 46 46 LYS HA H 46 3.743 3.743 3.869 -0.126 19155 6762 1 15 . 1 1 46 46 LYS C C 46 177.699 177.699 178.955 -1.256 19155 6763 1 15 . 1 1 46 46 LYS CA C 46 60.161 60.161 60.474 -0.313 19155 6764 1 15 . 1 1 46 46 LYS CB C 46 31.420 31.420 32.327 -0.907 19155 6765 1 15 . 1 1 46 46 LYS H H 46 8.660 8.660 8.308 0.352 19155 6766 1 15 . 1 1 47 47 ASN N N 47 116.034 116.034 117.145 -1.111 19155 6767 1 15 . 1 1 47 47 ASN HA H 47 4.468 4.468 4.538 -0.070 19155 6768 1 15 . 1 1 47 47 ASN C C 47 177.768 177.768 177.520 0.248 19155 6769 1 15 . 1 1 47 47 ASN CA C 47 56.538 56.538 55.927 0.611 19155 6770 1 15 . 1 1 47 47 ASN CB C 47 37.882 37.882 38.028 -0.146 19155 6771 1 15 . 1 1 47 47 ASN H H 47 8.344 8.344 8.437 -0.093 19155 6772 1 15 . 1 1 48 48 GLU N N 48 121.665 121.665 121.583 0.082 19155 6773 1 15 . 1 1 48 48 GLU HA H 48 4.044 4.044 4.031 0.013 19155 6774 1 15 . 1 1 48 48 GLU C C 48 179.915 179.915 179.343 0.572 19155 6775 1 15 . 1 1 48 48 GLU CA C 48 59.444 59.444 59.733 -0.290 19155 6776 1 15 . 1 1 48 48 GLU CB C 48 29.230 29.230 29.811 -0.581 19155 6777 1 15 . 1 1 48 48 GLU H H 48 8.301 8.301 8.167 0.134 19155 6778 1 15 . 1 1 49 49 TYR N N 49 117.600 117.600 118.688 -1.088 19155 6779 1 15 . 1 1 49 49 TYR HA H 49 3.992 3.992 4.390 -0.398 19155 6780 1 15 . 1 1 49 49 TYR C C 49 178.275 178.275 178.082 0.193 19155 6781 1 15 . 1 1 49 49 TYR CA C 49 64.508 64.508 60.904 3.604 19155 6782 1 15 . 1 1 49 49 TYR CB C 49 37.881 37.881 38.580 -0.699 19155 6783 1 15 . 1 1 49 49 TYR H H 49 8.581 8.581 8.600 -0.019 19155 6784 1 15 . 1 1 50 50 LEU N N 50 122.126 122.126 121.257 0.869 19155 6785 1 15 . 1 1 50 50 LEU HA H 50 4.181 4.181 3.780 0.401 19155 6786 1 15 . 1 1 50 50 LEU C C 50 180.089 180.089 178.712 1.377 19155 6787 1 15 . 1 1 50 50 LEU CA C 50 59.061 59.061 58.758 0.303 19155 6788 1 15 . 1 1 50 50 LEU CB C 50 40.096 40.096 41.569 -1.472 19155 6789 1 15 . 1 1 50 50 LEU H H 50 9.207 9.207 8.748 0.459 19155 6790 1 15 . 1 1 51 51 ASN N N 51 117.124 117.124 117.034 0.090 19155 6791 1 15 . 1 1 51 51 ASN HA H 51 4.535 4.535 4.363 0.172 19155 6792 1 15 . 1 1 51 51 ASN C C 51 177.522 177.522 177.375 0.147 19155 6793 1 15 . 1 1 51 51 ASN CA C 51 56.240 56.240 56.345 -0.105 19155 6794 1 15 . 1 1 51 51 ASN CB C 51 37.898 37.898 38.258 -0.360 19155 6795 1 15 . 1 1 51 51 ASN H H 51 7.634 7.634 8.318 -0.684 19155 6796 1 15 . 1 1 52 52 LYS N N 52 119.154 119.154 118.349 0.805 19155 6797 1 15 . 1 1 52 52 LYS HA H 52 4.037 4.037 3.990 0.047 19155 6798 1 15 . 1 1 52 52 LYS C C 52 179.905 179.905 178.265 1.640 19155 6799 1 15 . 1 1 52 52 LYS CA C 52 59.803 59.803 59.019 0.784 19155 6800 1 15 . 1 1 52 52 LYS CB C 52 33.215 33.215 32.288 0.927 19155 6801 1 15 . 1 1 52 52 LYS H H 52 7.663 7.663 7.610 0.053 19155 6802 1 15 . 1 1 53 53 ILE N N 53 121.662 121.662 118.008 3.654 19155 6803 1 15 . 1 1 53 53 ILE HA H 53 3.532 3.532 3.871 -0.339 19155 6804 1 15 . 1 1 53 53 ILE C C 53 178.489 178.489 177.067 1.422 19155 6805 1 15 . 1 1 53 53 ILE CA C 53 65.906 65.906 64.069 1.837 19155 6806 1 15 . 1 1 53 53 ILE CB C 53 38.249 38.249 38.975 -0.726 19155 6807 1 15 . 1 1 53 53 ILE H H 53 8.493 8.493 7.962 0.531 19155 6808 1 15 . 1 1 54 54 VAL N N 54 119.477 119.477 119.638 -0.161 19155 6809 1 15 . 1 1 54 54 VAL HA H 54 3.647 3.647 3.754 -0.107 19155 6810 1 15 . 1 1 54 54 VAL C C 54 176.683 176.683 177.228 -0.545 19155 6811 1 15 . 1 1 54 54 VAL CA C 54 66.643 66.643 65.257 1.386 19155 6812 1 15 . 1 1 54 54 VAL CB C 54 31.448 31.448 31.547 -0.099 19155 6813 1 15 . 1 1 54 54 VAL H H 54 7.598 7.598 8.327 -0.729 19155 6814 1 15 . 1 1 55 55 GLU N N 55 114.467 114.467 117.532 -3.065 19155 6815 1 15 . 1 1 55 55 GLU HA H 55 4.281 4.281 4.320 -0.039 19155 6816 1 15 . 1 1 55 55 GLU C C 55 176.914 176.914 176.118 0.796 19155 6817 1 15 . 1 1 55 55 GLU CA C 55 56.195 56.195 56.369 -0.174 19155 6818 1 15 . 1 1 55 55 GLU CB C 55 30.354 30.354 30.026 0.328 19155 6819 1 15 . 1 1 55 55 GLU H H 55 7.064 7.064 7.783 -0.719 19155 6820 1 15 . 1 1 56 56 SER N N 56 116.806 116.806 114.572 2.234 19155 6821 1 15 . 1 1 56 56 SER HA H 56 4.435 4.435 4.407 0.028 19155 6822 1 15 . 1 1 56 56 SER C C 56 175.566 175.566 175.641 -0.075 19155 6823 1 15 . 1 1 56 56 SER CA C 56 60.163 60.163 58.484 1.679 19155 6824 1 15 . 1 1 56 56 SER CB C 56 64.439 64.439 63.529 0.910 19155 6825 1 15 . 1 1 56 56 SER H H 56 7.504 7.504 7.475 0.029 19155 6826 1 15 . 1 1 57 57 THR N N 57 111.347 111.347 118.546 -7.199 19155 6827 1 15 . 1 1 57 57 THR HA H 57 4.539 4.539 4.419 0.120 19155 6828 1 15 . 1 1 57 57 THR C C 57 174.424 174.424 175.150 -0.726 19155 6829 1 15 . 1 1 57 57 THR CA C 57 61.518 61.518 62.552 -1.034 19155 6830 1 15 . 1 1 57 57 THR CB C 57 70.377 70.377 69.249 1.128 19155 6831 1 15 . 1 1 57 57 THR H H 57 9.083 9.083 8.441 0.642 19155 6832 1 15 . 1 1 58 58 SER N N 58 115.415 115.415 119.519 -4.104 19155 6833 1 15 . 1 1 58 58 SER HA H 58 5.059 5.059 4.675 0.384 19155 6834 1 15 . 1 1 58 58 SER C C 58 174.278 174.278 174.924 -0.646 19155 6835 1 15 . 1 1 58 58 SER CA C 58 56.928 56.928 58.296 -1.368 19155 6836 1 15 . 1 1 58 58 SER CB C 58 66.570 66.570 64.259 2.311 19155 6837 1 15 . 1 1 58 58 SER H H 58 7.689 7.689 8.246 -0.557 19155 6838 1 15 . 1 1 59 59 GLU N N 59 124.305 124.305 128.026 -3.721 19155 6839 1 15 . 1 1 59 59 GLU HA H 59 3.990 3.990 4.019 -0.029 19155 6840 1 15 . 1 1 59 59 GLU C C 59 179.113 179.113 177.856 1.257 19155 6841 1 15 . 1 1 59 59 GLU CA C 59 60.159 60.159 59.229 0.930 19155 6842 1 15 . 1 1 59 59 GLU CB C 59 29.616 29.616 29.008 0.608 19155 6843 1 15 . 1 1 59 59 GLU H H 59 9.719 9.719 9.099 0.620 19155 6844 1 15 . 1 1 60 60 SER N N 60 115.406 115.406 114.696 0.710 19155 6845 1 15 . 1 1 60 60 SER HA H 60 4.249 4.249 4.344 -0.095 19155 6846 1 15 . 1 1 60 60 SER C C 60 177.307 177.307 175.520 1.787 19155 6847 1 15 . 1 1 60 60 SER CA C 60 61.259 61.259 59.770 1.489 19155 6848 1 15 . 1 1 60 60 SER CB C 60 61.960 61.960 62.647 -0.687 19155 6849 1 15 . 1 1 60 60 SER H H 60 8.614 8.614 8.371 0.243 19155 6850 1 15 . 1 1 61 61 GLN N N 61 121.656 121.656 121.544 0.112 19155 6851 1 15 . 1 1 61 61 GLN HA H 61 4.107 4.107 4.416 -0.309 19155 6852 1 15 . 1 1 61 61 GLN C C 61 178.777 178.777 176.879 1.898 19155 6853 1 15 . 1 1 61 61 GLN CA C 61 58.743 58.743 57.198 1.545 19155 6854 1 15 . 1 1 61 61 GLN CB C 61 28.900 28.900 29.103 -0.203 19155 6855 1 15 . 1 1 61 61 GLN H H 61 7.669 7.669 7.658 0.011 19155 6856 1 15 . 1 1 62 62 LEU N N 62 118.689 118.689 121.419 -2.730 19155 6857 1 15 . 1 1 62 62 LEU HA H 62 4.035 4.035 3.804 0.231 19155 6858 1 15 . 1 1 62 62 LEU C C 62 178.363 178.363 178.740 -0.377 19155 6859 1 15 . 1 1 62 62 LEU CA C 62 58.725 58.725 58.467 0.258 19155 6860 1 15 . 1 1 62 62 LEU CB C 62 41.836 41.836 41.746 0.090 19155 6861 1 15 . 1 1 62 62 LEU H H 62 7.736 7.736 8.109 -0.373 19155 6862 1 15 . 1 1 63 63 GLN N N 63 117.441 117.441 116.050 1.391 19155 6863 1 15 . 1 1 63 63 GLN HA H 63 4.078 4.078 4.096 -0.018 19155 6864 1 15 . 1 1 63 63 GLN C C 63 179.312 179.312 178.105 1.207 19155 6865 1 15 . 1 1 63 63 GLN CA C 63 59.062 59.062 58.314 0.748 19155 6866 1 15 . 1 1 63 63 GLN CB C 63 27.819 27.819 28.427 -0.608 19155 6867 1 15 . 1 1 63 63 GLN H H 63 7.943 7.943 7.755 0.188 19155 6868 1 15 . 1 1 64 64 ILE N N 64 120.406 120.406 120.779 -0.373 19155 6869 1 15 . 1 1 64 64 ILE HA H 64 3.809 3.809 4.024 -0.215 19155 6870 1 15 . 1 1 64 64 ILE C C 64 178.734 178.734 177.703 1.031 19155 6871 1 15 . 1 1 64 64 ILE CA C 64 64.722 64.722 61.728 2.994 19155 6872 1 15 . 1 1 64 64 ILE CB C 64 37.971 37.971 37.053 0.918 19155 6873 1 15 . 1 1 64 64 ILE H H 64 7.544 7.544 7.668 -0.124 19155 6874 1 15 . 1 1 65 65 LEU N N 65 120.247 120.247 121.407 -1.160 19155 6875 1 15 . 1 1 65 65 LEU HA H 65 4.212 4.212 4.095 0.117 19155 6876 1 15 . 1 1 65 65 LEU C C 65 179.685 179.685 179.511 0.174 19155 6877 1 15 . 1 1 65 65 LEU CA C 65 58.004 58.004 58.394 -0.390 19155 6878 1 15 . 1 1 65 65 LEU CB C 65 42.553 42.553 40.396 2.157 19155 6879 1 15 . 1 1 65 65 LEU H H 65 8.361 8.361 8.265 0.096 19155 6880 1 15 . 1 1 66 66 MET N N 66 118.685 118.685 117.605 1.080 19155 6881 1 15 . 1 1 66 66 MET HA H 66 3.918 3.918 4.069 -0.151 19155 6882 1 15 . 1 1 66 66 MET C C 66 178.906 178.906 178.811 0.095 19155 6883 1 15 . 1 1 66 66 MET CA C 66 59.467 59.467 59.790 -0.323 19155 6884 1 15 . 1 1 66 66 MET CB C 66 33.519 33.519 32.298 1.221 19155 6885 1 15 . 1 1 66 66 MET H H 66 8.458 8.458 7.472 0.986 19155 6886 1 15 . 1 1 67 67 MET N N 67 118.685 118.685 118.215 0.470 19155 6887 1 15 . 1 1 67 67 MET HA H 67 4.098 4.098 4.105 -0.007 19155 6888 1 15 . 1 1 67 67 MET C C 67 178.781 178.781 178.683 0.098 19155 6889 1 15 . 1 1 67 67 MET CA C 67 58.379 58.379 59.092 -0.712 19155 6890 1 15 . 1 1 67 67 MET CB C 67 32.031 32.031 32.177 -0.146 19155 6891 1 15 . 1 1 67 67 MET H H 67 7.559 7.559 7.642 -0.083 19155 6892 1 15 . 1 1 68 68 GLU N N 68 122.128 122.128 120.009 2.119 19155 6893 1 15 . 1 1 68 68 GLU HA H 68 3.990 3.990 4.104 -0.114 19155 6894 1 15 . 1 1 68 68 GLU C C 68 178.803 178.803 179.173 -0.370 19155 6895 1 15 . 1 1 68 68 GLU CA C 68 59.459 59.459 59.566 -0.107 19155 6896 1 15 . 1 1 68 68 GLU CB C 68 30.706 30.706 29.202 1.504 19155 6897 1 15 . 1 1 68 68 GLU H H 68 8.895 8.895 8.757 0.138 19155 6898 1 15 . 1 1 69 69 SER N N 69 114.769 114.769 115.572 -0.803 19155 6899 1 15 . 1 1 69 69 SER HA H 69 2.872 2.872 3.557 -0.685 19155 6900 1 15 . 1 1 69 69 SER C C 69 175.801 175.801 176.560 -0.759 19155 6901 1 15 . 1 1 69 69 SER CA C 69 62.000 62.000 61.185 0.814 19155 6902 1 15 . 1 1 69 69 SER CB C 69 62.282 62.282 62.832 -0.550 19155 6903 1 15 . 1 1 69 69 SER H H 69 8.161 8.161 8.199 -0.038 19155 6904 1 15 . 1 1 70 70 ARG N N 70 120.552 120.552 121.108 -0.556 19155 6905 1 15 . 1 1 70 70 ARG HA H 70 3.744 3.744 4.134 -0.390 19155 6906 1 15 . 1 1 70 70 ARG C C 70 177.654 177.654 178.550 -0.896 19155 6907 1 15 . 1 1 70 70 ARG CA C 70 59.793 59.793 59.697 0.096 19155 6908 1 15 . 1 1 70 70 ARG CB C 70 29.974 29.974 29.813 0.161 19155 6909 1 15 . 1 1 70 70 ARG H H 70 6.945 6.945 8.262 -1.317 19155 6910 1 15 . 1 1 71 71 SER N N 71 113.064 113.064 114.233 -1.169 19155 6911 1 15 . 1 1 71 71 SER HA H 71 4.275 4.275 4.204 0.071 19155 6912 1 15 . 1 1 71 71 SER C C 71 177.491 177.491 176.651 0.840 19155 6913 1 15 . 1 1 71 71 SER CA C 71 61.571 61.571 62.032 -0.461 19155 6914 1 15 . 1 1 71 71 SER CB C 71 62.710 62.710 62.915 -0.205 19155 6915 1 15 . 1 1 71 71 SER H H 71 7.721 7.721 8.446 -0.725 19155 6916 1 15 . 1 1 72 72 LYS N N 72 121.657 121.657 121.040 0.617 19155 6917 1 15 . 1 1 72 72 LYS HA H 72 4.170 4.170 4.150 0.020 19155 6918 1 15 . 1 1 72 72 LYS C C 72 180.429 180.429 179.262 1.167 19155 6919 1 15 . 1 1 72 72 LYS CA C 72 58.725 58.725 59.161 -0.436 19155 6920 1 15 . 1 1 72 72 LYS CB C 72 32.131 32.131 32.585 -0.454 19155 6921 1 15 . 1 1 72 72 LYS H H 72 8.414 8.414 7.788 0.626 19155 6922 1 15 . 1 1 73 73 VAL N N 73 123.222 123.222 121.190 2.032 19155 6923 1 15 . 1 1 73 73 VAL HA H 73 3.598 3.598 3.639 -0.041 19155 6924 1 15 . 1 1 73 73 VAL C C 73 176.929 176.929 177.403 -0.474 19155 6925 1 15 . 1 1 73 73 VAL CA C 73 66.975 66.975 66.580 0.395 19155 6926 1 15 . 1 1 73 73 VAL CB C 73 31.704 31.704 31.120 0.584 19155 6927 1 15 . 1 1 73 73 VAL H H 73 8.421 8.421 8.468 -0.047 19155 6928 1 15 . 1 1 74 74 ASP N N 74 120.101 120.101 120.649 -0.548 19155 6929 1 15 . 1 1 74 74 ASP HA H 74 4.393 4.393 4.448 -0.055 19155 6930 1 15 . 1 1 74 74 ASP C C 74 180.001 180.001 178.390 1.611 19155 6931 1 15 . 1 1 74 74 ASP CA C 74 57.324 57.324 57.490 -0.166 19155 6932 1 15 . 1 1 74 74 ASP CB C 74 39.326 39.326 40.924 -1.598 19155 6933 1 15 . 1 1 74 74 ASP H H 74 8.674 8.674 8.683 -0.009 19155 6934 1 15 . 1 1 75 75 GLU N N 75 121.349 121.349 120.291 1.058 19155 6935 1 15 . 1 1 75 75 GLU HA H 75 4.113 4.113 4.017 0.096 19155 6936 1 15 . 1 1 75 75 GLU C C 75 178.732 178.732 178.448 0.284 19155 6937 1 15 . 1 1 75 75 GLU CA C 75 59.083 59.083 59.608 -0.524 19155 6938 1 15 . 1 1 75 75 GLU CB C 75 29.975 29.975 29.712 0.264 19155 6939 1 15 . 1 1 75 75 GLU H H 75 8.475 8.475 8.156 0.319 19155 6940 1 15 . 1 1 76 76 ALA N N 76 124.160 124.160 122.280 1.880 19155 6941 1 15 . 1 1 76 76 ALA HA H 76 4.281 4.281 4.182 0.099 19155 6942 1 15 . 1 1 76 76 ALA C C 76 179.906 179.906 179.963 -0.057 19155 6943 1 15 . 1 1 76 76 ALA CA C 76 55.530 55.530 55.180 0.350 19155 6944 1 15 . 1 1 76 76 ALA CB C 76 17.424 17.424 18.250 -0.826 19155 6945 1 15 . 1 1 76 76 ALA H H 76 7.944 7.944 7.846 0.098 19155 6946 1 15 . 1 1 77 77 VAL N N 77 117.439 117.439 118.936 -1.497 19155 6947 1 15 . 1 1 77 77 VAL HA H 77 3.644 3.644 3.482 0.162 19155 6948 1 15 . 1 1 77 77 VAL C C 77 178.784 178.784 177.912 0.872 19155 6949 1 15 . 1 1 77 77 VAL CA C 77 66.958 66.958 67.029 -0.071 19155 6950 1 15 . 1 1 77 77 VAL CB C 77 31.807 31.807 31.674 0.133 19155 6951 1 15 . 1 1 77 77 VAL H H 77 8.204 8.204 8.377 -0.173 19155 6952 1 15 . 1 1 78 78 SER N N 78 113.687 113.687 114.805 -1.118 19155 6953 1 15 . 1 1 78 78 SER HA H 78 4.266 4.266 4.071 0.195 19155 6954 1 15 . 1 1 78 78 SER C C 78 176.762 176.762 176.321 0.441 19155 6955 1 15 . 1 1 78 78 SER CA C 78 61.241 61.241 62.461 -1.220 19155 6956 1 15 . 1 1 78 78 SER CB C 78 62.678 62.678 62.745 -0.067 19155 6957 1 15 . 1 1 78 78 SER H H 78 7.935 7.935 8.083 -0.148 19155 6958 1 15 . 1 1 79 79 LYS N N 79 121.029 121.029 121.994 -0.965 19155 6959 1 15 . 1 1 79 79 LYS HA H 79 4.070 4.070 4.043 0.028 19155 6960 1 15 . 1 1 79 79 LYS C C 79 178.135 178.135 179.309 -1.174 19155 6961 1 15 . 1 1 79 79 LYS CA C 79 58.723 58.723 59.231 -0.508 19155 6962 1 15 . 1 1 79 79 LYS CB C 79 32.489 32.489 32.444 0.044 19155 6963 1 15 . 1 1 79 79 LYS H H 79 7.989 7.989 8.269 -0.280 19155 6964 1 15 . 1 1 80 80 PHE N N 80 117.437 117.437 118.765 -1.328 19155 6965 1 15 . 1 1 80 80 PHE HA H 80 4.490 4.490 4.469 0.021 19155 6966 1 15 . 1 1 80 80 PHE C C 80 176.236 176.236 177.161 -0.925 19155 6967 1 15 . 1 1 80 80 PHE CA C 80 59.444 59.444 60.087 -0.644 19155 6968 1 15 . 1 1 80 80 PHE CB C 80 40.032 40.032 39.415 0.617 19155 6969 1 15 . 1 1 80 80 PHE H H 80 7.838 7.838 8.241 -0.403 19155 6970 1 15 . 1 1 81 81 GLU N N 81 120.092 120.092 118.177 1.915 19155 6971 1 15 . 1 1 81 81 GLU HA H 81 4.290 4.290 4.268 0.022 19155 6972 1 15 . 1 1 81 81 GLU C C 81 175.715 175.715 177.161 -1.446 19155 6973 1 15 . 1 1 81 81 GLU CA C 81 56.928 56.928 57.248 -0.320 19155 6974 1 15 . 1 1 81 81 GLU CB C 81 29.997 29.997 29.472 0.525 19155 6975 1 15 . 1 1 81 81 GLU H H 81 7.864 7.864 8.145 -0.281 19155 6976 1 16 . 1 1 2 2 ASP N N 2 119.961 119.961 120.924 -0.963 19155 6977 1 16 . 1 1 2 2 ASP HA H 2 4.440 4.440 4.703 -0.263 19155 6978 1 16 . 1 1 2 2 ASP C C 2 178.594 178.594 177.470 1.124 19155 6979 1 16 . 1 1 2 2 ASP CA C 2 57.997 57.997 56.103 1.893 19155 6980 1 16 . 1 1 2 2 ASP CB C 2 40.098 40.098 41.180 -1.082 19155 6981 1 16 . 1 1 2 2 ASP H H 2 8.260 8.260 8.809 -0.549 19155 6982 1 16 . 1 1 3 3 SER N N 3 115.401 115.401 114.571 0.830 19155 6983 1 16 . 1 1 3 3 SER HA H 3 4.358 4.358 4.445 -0.087 19155 6984 1 16 . 1 1 3 3 SER C C 3 177.657 177.657 176.231 1.426 19155 6985 1 16 . 1 1 3 3 SER CA C 3 60.656 60.656 59.788 0.868 19155 6986 1 16 . 1 1 3 3 SER CB C 3 62.319 62.319 63.332 -1.013 19155 6987 1 16 . 1 1 3 3 SER H H 3 8.112 8.112 7.952 0.160 19155 6988 1 16 . 1 1 4 4 GLU N N 4 122.287 122.287 121.470 0.817 19155 6989 1 16 . 1 1 4 4 GLU HA H 4 4.045 4.045 4.095 -0.050 19155 6990 1 16 . 1 1 4 4 GLU C C 4 180.035 180.035 178.998 1.037 19155 6991 1 16 . 1 1 4 4 GLU CA C 4 59.072 59.072 59.588 -0.516 19155 6992 1 16 . 1 1 4 4 GLU CB C 4 28.538 28.538 29.316 -0.778 19155 6993 1 16 . 1 1 4 4 GLU H H 4 8.472 8.472 8.698 -0.226 19155 6994 1 16 . 1 1 5 5 ARG N N 5 121.026 121.026 116.660 4.366 19155 6995 1 16 . 1 1 5 5 ARG HA H 5 3.894 3.894 4.051 -0.157 19155 6996 1 16 . 1 1 5 5 ARG C C 5 178.298 178.298 177.970 0.328 19155 6997 1 16 . 1 1 5 5 ARG CA C 5 60.564 60.564 59.514 1.050 19155 6998 1 16 . 1 1 5 5 ARG CB C 5 30.681 30.681 29.673 1.008 19155 6999 1 16 . 1 1 5 5 ARG H H 5 8.771 8.771 8.096 0.675 19155 7000 1 16 . 1 1 6 6 ASP N N 6 119.775 119.775 120.904 -1.129 19155 7001 1 16 . 1 1 6 6 ASP HA H 6 4.455 4.455 4.535 -0.080 19155 7002 1 16 . 1 1 6 6 ASP C C 6 178.676 178.676 178.139 0.537 19155 7003 1 16 . 1 1 6 6 ASP CA C 6 57.956 57.956 56.903 1.053 19155 7004 1 16 . 1 1 6 6 ASP CB C 6 40.774 40.774 40.907 -0.133 19155 7005 1 16 . 1 1 6 6 ASP H H 6 7.889 7.889 7.739 0.150 19155 7006 1 16 . 1 1 7 7 LYS N N 7 119.937 119.937 119.867 0.070 19155 7007 1 16 . 1 1 7 7 LYS HA H 7 4.014 4.014 3.947 0.067 19155 7008 1 16 . 1 1 7 7 LYS C C 7 178.977 178.977 178.855 0.122 19155 7009 1 16 . 1 1 7 7 LYS CA C 7 59.793 59.793 59.629 0.164 19155 7010 1 16 . 1 1 7 7 LYS CB C 7 32.850 32.850 32.364 0.486 19155 7011 1 16 . 1 1 7 7 LYS H H 7 7.950 7.950 8.213 -0.263 19155 7012 1 16 . 1 1 8 8 ALA N N 8 122.436 122.436 120.813 1.623 19155 7013 1 16 . 1 1 8 8 ALA HA H 8 4.478 4.478 4.159 0.319 19155 7014 1 16 . 1 1 8 8 ALA C C 8 178.764 178.764 179.485 -0.721 19155 7015 1 16 . 1 1 8 8 ALA CA C 8 55.168 55.168 54.873 0.295 19155 7016 1 16 . 1 1 8 8 ALA CB C 8 19.502 19.502 18.585 0.916 19155 7017 1 16 . 1 1 8 8 ALA H H 8 7.976 7.976 7.904 0.072 19155 7018 1 16 . 1 1 9 9 ARG N N 9 118.059 118.059 116.793 1.266 19155 7019 1 16 . 1 1 9 9 ARG HA H 9 3.801 3.801 4.042 -0.241 19155 7020 1 16 . 1 1 9 9 ARG C C 9 177.874 177.874 178.452 -0.578 19155 7021 1 16 . 1 1 9 9 ARG CA C 9 59.794 59.794 58.826 0.968 19155 7022 1 16 . 1 1 9 9 ARG CB C 9 29.989 29.989 29.846 0.143 19155 7023 1 16 . 1 1 9 9 ARG H H 9 8.489 8.489 8.149 0.340 19155 7024 1 16 . 1 1 10 10 LYS N N 10 118.064 118.064 119.312 -1.248 19155 7025 1 16 . 1 1 10 10 LYS HA H 10 4.138 4.138 4.123 0.015 19155 7026 1 16 . 1 1 10 10 LYS C C 10 178.619 178.619 178.912 -0.293 19155 7027 1 16 . 1 1 10 10 LYS CA C 10 59.421 59.421 58.603 0.818 19155 7028 1 16 . 1 1 10 10 LYS CB C 10 32.467 32.467 31.788 0.679 19155 7029 1 16 . 1 1 10 10 LYS H H 10 7.833 7.833 8.407 -0.574 19155 7030 1 16 . 1 1 11 11 GLU N N 11 118.845 118.845 119.857 -1.012 19155 7031 1 16 . 1 1 11 11 GLU HA H 11 4.107 4.107 4.101 0.006 19155 7032 1 16 . 1 1 11 11 GLU C C 11 180.137 180.137 179.052 1.085 19155 7033 1 16 . 1 1 11 11 GLU CA C 11 59.803 59.803 59.379 0.424 19155 7034 1 16 . 1 1 11 11 GLU CB C 11 29.248 29.248 29.254 -0.006 19155 7035 1 16 . 1 1 11 11 GLU H H 11 7.991 7.991 7.992 -0.001 19155 7036 1 16 . 1 1 12 12 VAL N N 12 120.562 120.562 114.288 6.274 19155 7037 1 16 . 1 1 12 12 VAL HA H 12 3.851 3.851 3.874 -0.023 19155 7038 1 16 . 1 1 12 12 VAL C C 12 178.182 178.182 177.783 0.399 19155 7039 1 16 . 1 1 12 12 VAL CA C 12 66.625 66.625 65.533 1.092 19155 7040 1 16 . 1 1 12 12 VAL CB C 12 31.784 31.784 31.581 0.203 19155 7041 1 16 . 1 1 12 12 VAL H H 12 8.173 8.173 7.331 0.842 19155 7042 1 16 . 1 1 13 13 GLU N N 13 117.912 117.912 122.194 -4.282 19155 7043 1 16 . 1 1 13 13 GLU HA H 13 3.841 3.841 3.977 -0.136 19155 7044 1 16 . 1 1 13 13 GLU C C 13 179.959 179.959 178.949 1.010 19155 7045 1 16 . 1 1 13 13 GLU CA C 13 60.498 60.498 60.315 0.183 19155 7046 1 16 . 1 1 13 13 GLU CB C 13 30.014 30.014 29.446 0.568 19155 7047 1 16 . 1 1 13 13 GLU H H 13 8.624 8.624 8.438 0.186 19155 7048 1 16 . 1 1 14 14 GLU N N 14 117.909 117.909 119.562 -1.653 19155 7049 1 16 . 1 1 14 14 GLU HA H 14 4.025 4.025 4.082 -0.057 19155 7050 1 16 . 1 1 14 14 GLU C C 14 179.020 179.020 179.023 -0.003 19155 7051 1 16 . 1 1 14 14 GLU CA C 14 59.442 59.442 59.123 0.319 19155 7052 1 16 . 1 1 14 14 GLU CB C 14 29.257 29.257 29.247 0.010 19155 7053 1 16 . 1 1 14 14 GLU H H 14 8.904 8.904 8.436 0.468 19155 7054 1 16 . 1 1 15 15 TYR N N 15 122.592 122.592 121.417 1.175 19155 7055 1 16 . 1 1 15 15 TYR HA H 15 4.359 4.359 4.122 0.237 19155 7056 1 16 . 1 1 15 15 TYR C C 15 177.581 177.581 177.942 -0.361 19155 7057 1 16 . 1 1 15 15 TYR CA C 15 62.430 62.430 62.095 0.335 19155 7058 1 16 . 1 1 15 15 TYR CB C 15 38.541 38.541 38.615 -0.074 19155 7059 1 16 . 1 1 15 15 TYR H H 15 8.170 8.170 8.285 -0.115 19155 7060 1 16 . 1 1 16 16 VAL N N 16 116.497 116.497 118.652 -2.155 19155 7061 1 16 . 1 1 16 16 VAL HA H 16 3.386 3.386 3.544 -0.158 19155 7062 1 16 . 1 1 16 16 VAL C C 16 177.221 177.221 177.978 -0.757 19155 7063 1 16 . 1 1 16 16 VAL CA C 16 68.053 68.053 66.982 1.071 19155 7064 1 16 . 1 1 16 16 VAL CB C 16 31.427 31.427 31.474 -0.047 19155 7065 1 16 . 1 1 16 16 VAL H H 16 7.953 7.953 8.425 -0.472 19155 7066 1 16 . 1 1 17 17 LYS N N 17 118.530 118.530 118.777 -0.247 19155 7067 1 16 . 1 1 17 17 LYS HA H 17 3.922 3.922 4.005 -0.083 19155 7068 1 16 . 1 1 17 17 LYS C C 17 179.742 179.742 178.680 1.062 19155 7069 1 16 . 1 1 17 17 LYS CA C 17 60.145 60.145 59.615 0.530 19155 7070 1 16 . 1 1 17 17 LYS CB C 17 32.827 32.827 31.928 0.899 19155 7071 1 16 . 1 1 17 17 LYS H H 17 8.274 8.274 8.341 -0.067 19155 7072 1 16 . 1 1 18 18 LYS N N 18 121.031 121.031 120.754 0.277 19155 7073 1 16 . 1 1 18 18 LYS HA H 18 4.018 4.018 4.029 -0.011 19155 7074 1 16 . 1 1 18 18 LYS C C 18 178.962 178.962 178.735 0.227 19155 7075 1 16 . 1 1 18 18 LYS CA C 18 59.085 59.085 59.539 -0.455 19155 7076 1 16 . 1 1 18 18 LYS CB C 18 32.132 32.132 32.408 -0.276 19155 7077 1 16 . 1 1 18 18 LYS H H 18 7.946 7.946 8.023 -0.077 19155 7078 1 16 . 1 1 19 19 ILE N N 19 120.718 120.718 119.486 1.232 19155 7079 1 16 . 1 1 19 19 ILE HA H 19 3.727 3.727 3.780 -0.053 19155 7080 1 16 . 1 1 19 19 ILE C C 19 172.120 172.120 178.182 -6.062 19155 7081 1 16 . 1 1 19 19 ILE CA C 19 62.128 62.128 63.769 -1.641 19155 7082 1 16 . 1 1 19 19 ILE CB C 19 35.988 35.988 37.210 -1.222 19155 7083 1 16 . 1 1 19 19 ILE H H 19 7.796 7.796 8.090 -0.294 19155 7084 1 16 . 1 1 20 20 VAL N N 20 124.792 124.792 121.536 3.256 19155 7085 1 16 . 1 1 20 20 VAL HA H 20 3.312 3.312 3.497 -0.185 19155 7086 1 16 . 1 1 20 20 VAL C C 20 177.873 177.873 178.024 -0.151 19155 7087 1 16 . 1 1 20 20 VAL CA C 20 67.738 67.738 67.091 0.647 19155 7088 1 16 . 1 1 20 20 VAL CB C 20 31.772 31.772 31.288 0.483 19155 7089 1 16 . 1 1 20 20 VAL H H 20 9.190 9.190 8.655 0.535 19155 7090 1 16 . 1 1 21 21 GLY N N 21 106.034 106.034 107.701 -1.667 19155 7091 1 16 . 1 1 21 21 GLY C C 21 177.470 177.470 176.121 1.349 19155 7092 1 16 . 1 1 21 21 GLY CA C 21 47.226 47.226 47.367 -0.141 19155 7093 1 16 . 1 1 21 21 GLY H H 21 8.117 8.117 7.948 0.169 19155 7094 1 16 . 1 1 22 22 GLU N N 22 122.282 122.282 121.791 0.491 19155 7095 1 16 . 1 1 22 22 GLU HA H 22 4.104 4.104 3.997 0.107 19155 7096 1 16 . 1 1 22 22 GLU C C 22 178.827 178.827 179.363 -0.536 19155 7097 1 16 . 1 1 22 22 GLU CA C 22 59.016 59.016 58.995 0.021 19155 7098 1 16 . 1 1 22 22 GLU CB C 22 29.619 29.619 28.966 0.653 19155 7099 1 16 . 1 1 22 22 GLU H H 22 8.197 8.197 8.441 -0.244 19155 7100 1 16 . 1 1 23 23 SER N N 23 116.812 116.812 116.836 -0.024 19155 7101 1 16 . 1 1 23 23 SER HA H 23 4.201 4.201 4.159 0.042 19155 7102 1 16 . 1 1 23 23 SER C C 23 177.084 177.084 176.372 0.712 19155 7103 1 16 . 1 1 23 23 SER CA C 23 61.998 61.998 62.092 -0.094 19155 7104 1 16 . 1 1 23 23 SER CB C 23 62.105 62.105 62.984 -0.879 19155 7105 1 16 . 1 1 23 23 SER H H 23 8.285 8.285 8.422 -0.137 19155 7106 1 16 . 1 1 24 24 TYR N N 24 120.879 120.879 120.077 0.802 19155 7107 1 16 . 1 1 24 24 TYR HA H 24 4.396 4.396 4.343 0.053 19155 7108 1 16 . 1 1 24 24 TYR C C 24 178.846 178.846 176.154 2.692 19155 7109 1 16 . 1 1 24 24 TYR CA C 24 61.189 61.189 59.815 1.374 19155 7110 1 16 . 1 1 24 24 TYR CB C 24 37.866 37.866 37.938 -0.072 19155 7111 1 16 . 1 1 24 24 TYR H H 24 8.254 8.254 7.784 0.470 19155 7112 1 16 . 1 1 25 25 ALA N N 25 122.124 122.124 120.395 1.729 19155 7113 1 16 . 1 1 25 25 ALA HA H 25 4.251 4.251 4.279 -0.028 19155 7114 1 16 . 1 1 25 25 ALA C C 25 178.999 178.999 178.169 0.830 19155 7115 1 16 . 1 1 25 25 ALA CA C 25 54.608 54.608 53.633 0.975 19155 7116 1 16 . 1 1 25 25 ALA CB C 25 18.108 18.108 19.499 -1.391 19155 7117 1 16 . 1 1 25 25 ALA H H 25 8.018 8.018 7.833 0.185 19155 7118 1 16 . 1 1 26 26 LYS N N 26 115.251 115.251 117.236 -1.985 19155 7119 1 16 . 1 1 26 26 LYS HA H 26 4.459 4.459 4.443 0.016 19155 7120 1 16 . 1 1 26 26 LYS C C 26 176.598 176.598 177.205 -0.607 19155 7121 1 16 . 1 1 26 26 LYS CA C 26 56.209 56.209 56.655 -0.446 19155 7122 1 16 . 1 1 26 26 LYS CB C 26 33.191 33.191 33.403 -0.212 19155 7123 1 16 . 1 1 26 26 LYS H H 26 7.533 7.533 8.087 -0.554 19155 7124 1 16 . 1 1 27 27 SER N N 27 115.400 115.400 116.633 -1.233 19155 7125 1 16 . 1 1 27 27 SER HA H 27 4.332 4.332 4.675 -0.343 19155 7126 1 16 . 1 1 27 27 SER C C 27 174.768 174.768 173.783 0.985 19155 7127 1 16 . 1 1 27 27 SER CA C 27 58.808 58.808 58.405 0.403 19155 7128 1 16 . 1 1 27 27 SER CB C 27 63.397 63.397 64.215 -0.818 19155 7129 1 16 . 1 1 27 27 SER H H 27 7.570 7.570 7.750 -0.180 19155 7130 1 16 . 1 1 28 28 THR N N 28 114.468 114.468 117.043 -2.575 19155 7131 1 16 . 1 1 28 28 THR HA H 28 4.649 4.649 4.681 -0.032 19155 7132 1 16 . 1 1 28 28 THR CA C 28 60.242 60.242 61.456 -1.214 19155 7133 1 16 . 1 1 28 28 THR CB C 28 71.544 71.544 71.547 -0.003 19155 7134 1 16 . 1 1 28 28 THR H H 28 7.725 7.725 7.838 -0.113 19155 7135 1 16 . 1 1 29 29 LYS HA H 29 4.300 4.300 3.928 0.372 19155 7136 1 16 . 1 1 29 29 LYS CA C 29 57.974 57.974 59.263 -1.289 19155 7137 1 16 . 1 1 29 29 LYS CB C 29 32.820 32.820 32.199 0.621 19155 7138 1 16 . 1 1 30 30 LYS HA H 30 4.154 4.154 4.145 0.009 19155 7139 1 16 . 1 1 30 30 LYS CA C 30 58.725 58.725 57.823 0.902 19155 7140 1 16 . 1 1 31 31 ARG HA H 31 4.533 4.533 4.356 0.177 19155 7141 1 16 . 1 1 31 31 ARG CA C 31 56.137 56.137 55.783 0.354 19155 7142 1 16 . 1 1 31 31 ARG CB C 31 31.003 31.003 28.488 2.514 19155 7143 1 16 . 1 1 32 32 HIS HA H 32 4.570 4.570 4.462 0.108 19155 7144 1 16 . 1 1 32 32 HIS C C 32 176.136 176.136 177.000 -0.864 19155 7145 1 16 . 1 1 32 32 HIS CA C 32 58.689 58.689 59.065 -0.376 19155 7146 1 16 . 1 1 32 32 HIS CB C 32 30.731 30.731 29.701 1.030 19155 7147 1 16 . 1 1 33 33 THR N N 33 111.162 111.162 114.461 -3.299 19155 7148 1 16 . 1 1 33 33 THR HA H 33 3.976 3.976 3.966 0.010 19155 7149 1 16 . 1 1 33 33 THR C C 33 176.807 176.807 176.328 0.479 19155 7150 1 16 . 1 1 33 33 THR CA C 33 65.194 65.194 66.489 -1.295 19155 7151 1 16 . 1 1 33 33 THR CB C 33 68.428 68.428 68.230 0.198 19155 7152 1 16 . 1 1 33 33 THR H H 33 8.355 8.355 8.554 -0.199 19155 7153 1 16 . 1 1 34 34 ILE N N 34 123.220 123.220 120.578 2.642 19155 7154 1 16 . 1 1 34 34 ILE HA H 34 4.047 4.047 3.739 0.308 19155 7155 1 16 . 1 1 34 34 ILE C C 34 176.944 176.944 177.730 -0.786 19155 7156 1 16 . 1 1 34 34 ILE CA C 34 63.746 63.746 63.299 0.447 19155 7157 1 16 . 1 1 34 34 ILE CB C 34 37.905 37.905 36.814 1.091 19155 7158 1 16 . 1 1 34 34 ILE H H 34 7.824 7.824 7.962 -0.138 19155 7159 1 16 . 1 1 35 35 THR N N 35 118.694 118.694 116.028 2.666 19155 7160 1 16 . 1 1 35 35 THR HA H 35 4.103 4.103 3.838 0.265 19155 7161 1 16 . 1 1 35 35 THR C C 35 175.385 175.385 176.520 -1.135 19155 7162 1 16 . 1 1 35 35 THR CA C 35 63.339 63.339 65.809 -2.470 19155 7163 1 16 . 1 1 35 35 THR CB C 35 68.428 68.428 68.241 0.187 19155 7164 1 16 . 1 1 35 35 THR H H 35 8.053 8.053 8.354 -0.301 19155 7165 1 16 . 1 1 36 36 VAL N N 36 120.252 120.252 122.730 -2.478 19155 7166 1 16 . 1 1 36 36 VAL HA H 36 3.494 3.494 3.650 -0.156 19155 7167 1 16 . 1 1 36 36 VAL C C 36 177.667 177.667 176.653 1.014 19155 7168 1 16 . 1 1 36 36 VAL CA C 36 66.312 66.312 66.139 0.173 19155 7169 1 16 . 1 1 36 36 VAL CB C 36 31.787 31.787 31.549 0.238 19155 7170 1 16 . 1 1 36 36 VAL H H 36 8.148 8.148 8.023 0.125 19155 7171 1 16 . 1 1 37 37 ALA N N 37 121.815 121.815 122.152 -0.337 19155 7172 1 16 . 1 1 37 37 ALA HA H 37 4.168 4.168 3.934 0.234 19155 7173 1 16 . 1 1 37 37 ALA C C 37 180.404 180.404 179.401 1.003 19155 7174 1 16 . 1 1 37 37 ALA CA C 37 55.062 55.062 55.273 -0.211 19155 7175 1 16 . 1 1 37 37 ALA CB C 37 18.114 18.114 17.952 0.162 19155 7176 1 16 . 1 1 37 37 ALA H H 37 7.526 7.526 8.011 -0.485 19155 7177 1 16 . 1 1 38 38 LEU N N 38 122.124 122.124 118.958 3.166 19155 7178 1 16 . 1 1 38 38 LEU HA H 38 3.574 3.574 3.920 -0.346 19155 7179 1 16 . 1 1 38 38 LEU C C 38 177.815 177.815 178.577 -0.762 19155 7180 1 16 . 1 1 38 38 LEU CA C 38 57.671 57.671 57.523 0.148 19155 7181 1 16 . 1 1 38 38 LEU CB C 38 40.383 40.383 41.709 -1.327 19155 7182 1 16 . 1 1 38 38 LEU H H 38 7.987 7.987 7.938 0.049 19155 7183 1 16 . 1 1 39 39 VAL N N 39 119.627 119.627 118.946 0.681 19155 7184 1 16 . 1 1 39 39 VAL HA H 39 3.295 3.295 3.457 -0.162 19155 7185 1 16 . 1 1 39 39 VAL C C 39 178.084 178.084 177.732 0.352 19155 7186 1 16 . 1 1 39 39 VAL CA C 39 67.710 67.710 67.210 0.500 19155 7187 1 16 . 1 1 39 39 VAL CB C 39 31.393 31.393 31.508 -0.115 19155 7188 1 16 . 1 1 39 39 VAL H H 39 8.410 8.410 7.723 0.687 19155 7189 1 16 . 1 1 40 40 ASN N N 40 117.904 117.904 117.941 -0.037 19155 7190 1 16 . 1 1 40 40 ASN HA H 40 4.528 4.528 4.363 0.165 19155 7191 1 16 . 1 1 40 40 ASN C C 40 177.814 177.814 177.379 0.435 19155 7192 1 16 . 1 1 40 40 ASN CA C 40 56.214 56.214 56.533 -0.319 19155 7193 1 16 . 1 1 40 40 ASN CB C 40 37.990 37.990 38.443 -0.453 19155 7194 1 16 . 1 1 40 40 ASN H H 40 8.211 8.211 8.475 -0.264 19155 7195 1 16 . 1 1 41 41 GLU N N 41 122.117 122.117 120.744 1.373 19155 7196 1 16 . 1 1 41 41 GLU HA H 41 4.330 4.330 4.115 0.215 19155 7197 1 16 . 1 1 41 41 GLU C C 41 179.186 179.186 178.798 0.388 19155 7198 1 16 . 1 1 41 41 GLU CA C 41 59.444 59.444 58.894 0.550 19155 7199 1 16 . 1 1 41 41 GLU CB C 41 28.935 28.935 29.427 -0.492 19155 7200 1 16 . 1 1 41 41 GLU H H 41 7.895 7.895 8.042 -0.147 19155 7201 1 16 . 1 1 42 42 LEU N N 42 118.997 118.997 118.687 0.310 19155 7202 1 16 . 1 1 42 42 LEU HA H 42 4.036 4.036 3.879 0.157 19155 7203 1 16 . 1 1 42 42 LEU C C 42 179.072 179.072 178.993 0.079 19155 7204 1 16 . 1 1 42 42 LEU CA C 42 58.028 58.028 58.392 -0.363 19155 7205 1 16 . 1 1 42 42 LEU CB C 42 41.053 41.053 41.551 -0.498 19155 7206 1 16 . 1 1 42 42 LEU H H 42 8.915 8.915 8.605 0.310 19155 7207 1 16 . 1 1 43 43 ASN N N 43 117.439 117.439 116.548 0.891 19155 7208 1 16 . 1 1 43 43 ASN HA H 43 4.560 4.560 4.554 0.006 19155 7209 1 16 . 1 1 43 43 ASN C C 43 177.692 177.692 177.231 0.461 19155 7210 1 16 . 1 1 43 43 ASN CA C 43 56.224 56.224 56.237 -0.013 19155 7211 1 16 . 1 1 43 43 ASN CB C 43 38.241 38.241 38.291 -0.050 19155 7212 1 16 . 1 1 43 43 ASN H H 43 8.436 8.436 7.934 0.502 19155 7213 1 16 . 1 1 44 44 ASN N N 44 121.188 121.188 120.724 0.464 19155 7214 1 16 . 1 1 44 44 ASN HA H 44 4.647 4.647 4.871 -0.224 19155 7215 1 16 . 1 1 44 44 ASN C C 44 178.704 178.704 177.694 1.010 19155 7216 1 16 . 1 1 44 44 ASN CA C 44 56.233 56.233 55.433 0.800 19155 7217 1 16 . 1 1 44 44 ASN CB C 44 37.466 37.466 38.565 -1.099 19155 7218 1 16 . 1 1 44 44 ASN H H 44 8.079 8.079 7.822 0.257 19155 7219 1 16 . 1 1 45 45 ILE N N 45 124.315 124.315 121.256 3.059 19155 7220 1 16 . 1 1 45 45 ILE HA H 45 3.985 3.985 3.813 0.172 19155 7221 1 16 . 1 1 45 45 ILE C C 45 177.925 177.925 178.233 -0.308 19155 7222 1 16 . 1 1 45 45 ILE CA C 45 65.578 65.578 65.709 -0.131 19155 7223 1 16 . 1 1 45 45 ILE CB C 45 38.903 38.903 37.723 1.180 19155 7224 1 16 . 1 1 45 45 ILE H H 45 8.533 8.533 8.813 -0.280 19155 7225 1 16 . 1 1 46 46 LYS N N 46 119.624 119.624 120.089 -0.465 19155 7226 1 16 . 1 1 46 46 LYS HA H 46 3.743 3.743 3.976 -0.233 19155 7227 1 16 . 1 1 46 46 LYS C C 46 177.699 177.699 178.861 -1.162 19155 7228 1 16 . 1 1 46 46 LYS CA C 46 60.161 60.161 60.326 -0.165 19155 7229 1 16 . 1 1 46 46 LYS CB C 46 31.420 31.420 32.211 -0.791 19155 7230 1 16 . 1 1 46 46 LYS H H 46 8.660 8.660 7.881 0.779 19155 7231 1 16 . 1 1 47 47 ASN N N 47 116.034 116.034 118.441 -2.407 19155 7232 1 16 . 1 1 47 47 ASN HA H 47 4.468 4.468 4.365 0.103 19155 7233 1 16 . 1 1 47 47 ASN C C 47 177.768 177.768 177.362 0.406 19155 7234 1 16 . 1 1 47 47 ASN CA C 47 56.538 56.538 56.446 0.092 19155 7235 1 16 . 1 1 47 47 ASN CB C 47 37.882 37.882 38.367 -0.485 19155 7236 1 16 . 1 1 47 47 ASN H H 47 8.344 8.344 8.320 0.024 19155 7237 1 16 . 1 1 48 48 GLU N N 48 121.665 121.665 121.279 0.386 19155 7238 1 16 . 1 1 48 48 GLU HA H 48 4.044 4.044 3.926 0.118 19155 7239 1 16 . 1 1 48 48 GLU C C 48 179.915 179.915 178.962 0.953 19155 7240 1 16 . 1 1 48 48 GLU CA C 48 59.444 59.444 59.629 -0.185 19155 7241 1 16 . 1 1 48 48 GLU CB C 48 29.230 29.230 29.789 -0.559 19155 7242 1 16 . 1 1 48 48 GLU H H 48 8.301 8.301 8.507 -0.206 19155 7243 1 16 . 1 1 49 49 TYR N N 49 117.600 117.600 118.540 -0.940 19155 7244 1 16 . 1 1 49 49 TYR HA H 49 3.992 3.992 4.355 -0.363 19155 7245 1 16 . 1 1 49 49 TYR C C 49 178.275 178.275 178.242 0.033 19155 7246 1 16 . 1 1 49 49 TYR CA C 49 64.508 64.508 61.531 2.977 19155 7247 1 16 . 1 1 49 49 TYR CB C 49 37.881 37.881 38.654 -0.773 19155 7248 1 16 . 1 1 49 49 TYR H H 49 8.581 8.581 8.509 0.072 19155 7249 1 16 . 1 1 50 50 LEU N N 50 122.126 122.126 121.225 0.901 19155 7250 1 16 . 1 1 50 50 LEU HA H 50 4.181 4.181 3.799 0.382 19155 7251 1 16 . 1 1 50 50 LEU C C 50 180.089 180.089 178.726 1.363 19155 7252 1 16 . 1 1 50 50 LEU CA C 50 59.061 59.061 58.735 0.326 19155 7253 1 16 . 1 1 50 50 LEU CB C 50 40.096 40.096 41.571 -1.475 19155 7254 1 16 . 1 1 50 50 LEU H H 50 9.207 9.207 8.771 0.436 19155 7255 1 16 . 1 1 51 51 ASN N N 51 117.124 117.124 117.216 -0.092 19155 7256 1 16 . 1 1 51 51 ASN HA H 51 4.535 4.535 4.375 0.160 19155 7257 1 16 . 1 1 51 51 ASN C C 51 177.522 177.522 177.554 -0.032 19155 7258 1 16 . 1 1 51 51 ASN CA C 51 56.240 56.240 56.584 -0.344 19155 7259 1 16 . 1 1 51 51 ASN CB C 51 37.898 37.898 38.507 -0.609 19155 7260 1 16 . 1 1 51 51 ASN H H 51 7.634 7.634 8.471 -0.837 19155 7261 1 16 . 1 1 52 52 LYS N N 52 119.154 119.154 120.009 -0.855 19155 7262 1 16 . 1 1 52 52 LYS HA H 52 4.037 4.037 3.964 0.073 19155 7263 1 16 . 1 1 52 52 LYS C C 52 179.905 179.905 179.197 0.708 19155 7264 1 16 . 1 1 52 52 LYS CA C 52 59.803 59.803 59.499 0.304 19155 7265 1 16 . 1 1 52 52 LYS CB C 52 33.215 33.215 32.320 0.895 19155 7266 1 16 . 1 1 52 52 LYS H H 52 7.663 7.663 7.787 -0.124 19155 7267 1 16 . 1 1 53 53 ILE N N 53 121.662 121.662 121.042 0.620 19155 7268 1 16 . 1 1 53 53 ILE HA H 53 3.532 3.532 3.950 -0.418 19155 7269 1 16 . 1 1 53 53 ILE C C 53 178.489 178.489 178.793 -0.304 19155 7270 1 16 . 1 1 53 53 ILE CA C 53 65.906 65.906 64.821 1.085 19155 7271 1 16 . 1 1 53 53 ILE CB C 53 38.249 38.249 38.370 -0.120 19155 7272 1 16 . 1 1 53 53 ILE H H 53 8.493 8.493 8.605 -0.112 19155 7273 1 16 . 1 1 54 54 VAL N N 54 119.477 119.477 119.550 -0.073 19155 7274 1 16 . 1 1 54 54 VAL HA H 54 3.647 3.647 3.828 -0.181 19155 7275 1 16 . 1 1 54 54 VAL C C 54 176.683 176.683 176.369 0.314 19155 7276 1 16 . 1 1 54 54 VAL CA C 54 66.643 66.643 64.474 2.169 19155 7277 1 16 . 1 1 54 54 VAL CB C 54 31.448 31.448 31.890 -0.442 19155 7278 1 16 . 1 1 54 54 VAL H H 54 7.598 7.598 8.353 -0.755 19155 7279 1 16 . 1 1 55 55 GLU N N 55 114.467 114.467 117.950 -3.483 19155 7280 1 16 . 1 1 55 55 GLU HA H 55 4.281 4.281 4.326 -0.045 19155 7281 1 16 . 1 1 55 55 GLU C C 55 176.914 176.914 176.022 0.892 19155 7282 1 16 . 1 1 55 55 GLU CA C 55 56.195 56.195 56.007 0.188 19155 7283 1 16 . 1 1 55 55 GLU CB C 55 30.354 30.354 29.871 0.483 19155 7284 1 16 . 1 1 55 55 GLU H H 55 7.064 7.064 7.596 -0.532 19155 7285 1 16 . 1 1 56 56 SER N N 56 116.806 116.806 115.787 1.019 19155 7286 1 16 . 1 1 56 56 SER HA H 56 4.435 4.435 4.405 0.030 19155 7287 1 16 . 1 1 56 56 SER C C 56 175.566 175.566 174.993 0.573 19155 7288 1 16 . 1 1 56 56 SER CA C 56 60.163 60.163 59.793 0.370 19155 7289 1 16 . 1 1 56 56 SER CB C 56 64.439 64.439 63.725 0.714 19155 7290 1 16 . 1 1 56 56 SER H H 56 7.504 7.504 7.376 0.128 19155 7291 1 16 . 1 1 57 57 THR N N 57 111.347 111.347 118.004 -6.657 19155 7292 1 16 . 1 1 57 57 THR HA H 57 4.539 4.539 4.228 0.311 19155 7293 1 16 . 1 1 57 57 THR C C 57 174.424 174.424 174.048 0.376 19155 7294 1 16 . 1 1 57 57 THR CA C 57 61.518 61.518 63.410 -1.893 19155 7295 1 16 . 1 1 57 57 THR CB C 57 70.377 70.377 69.034 1.343 19155 7296 1 16 . 1 1 57 57 THR H H 57 9.083 9.083 8.350 0.733 19155 7297 1 16 . 1 1 58 58 SER N N 58 115.415 115.415 116.812 -1.397 19155 7298 1 16 . 1 1 58 58 SER HA H 58 5.059 5.059 4.795 0.264 19155 7299 1 16 . 1 1 58 58 SER C C 58 174.278 174.278 175.171 -0.893 19155 7300 1 16 . 1 1 58 58 SER CA C 58 56.928 56.928 57.474 -0.546 19155 7301 1 16 . 1 1 58 58 SER CB C 58 66.570 66.570 65.006 1.564 19155 7302 1 16 . 1 1 58 58 SER H H 58 7.689 7.689 7.777 -0.088 19155 7303 1 16 . 1 1 59 59 GLU N N 59 124.305 124.305 126.938 -2.633 19155 7304 1 16 . 1 1 59 59 GLU HA H 59 3.990 3.990 4.000 -0.010 19155 7305 1 16 . 1 1 59 59 GLU C C 59 179.113 179.113 177.429 1.684 19155 7306 1 16 . 1 1 59 59 GLU CA C 59 60.159 60.159 59.373 0.785 19155 7307 1 16 . 1 1 59 59 GLU CB C 59 29.616 29.616 28.919 0.697 19155 7308 1 16 . 1 1 59 59 GLU H H 59 9.719 9.719 9.079 0.640 19155 7309 1 16 . 1 1 60 60 SER N N 60 115.406 115.406 113.272 2.134 19155 7310 1 16 . 1 1 60 60 SER HA H 60 4.249 4.249 4.570 -0.321 19155 7311 1 16 . 1 1 60 60 SER C C 60 177.307 177.307 175.670 1.637 19155 7312 1 16 . 1 1 60 60 SER CA C 60 61.259 61.259 59.591 1.668 19155 7313 1 16 . 1 1 60 60 SER CB C 60 61.960 61.960 62.837 -0.877 19155 7314 1 16 . 1 1 60 60 SER H H 60 8.614 8.614 8.409 0.205 19155 7315 1 16 . 1 1 61 61 GLN N N 61 121.656 121.656 120.465 1.191 19155 7316 1 16 . 1 1 61 61 GLN HA H 61 4.107 4.107 4.425 -0.318 19155 7317 1 16 . 1 1 61 61 GLN C C 61 178.777 178.777 176.773 2.004 19155 7318 1 16 . 1 1 61 61 GLN CA C 61 58.743 58.743 56.777 1.966 19155 7319 1 16 . 1 1 61 61 GLN CB C 61 28.900 28.900 29.057 -0.157 19155 7320 1 16 . 1 1 61 61 GLN H H 61 7.669 7.669 7.493 0.176 19155 7321 1 16 . 1 1 62 62 LEU N N 62 118.689 118.689 120.699 -2.010 19155 7322 1 16 . 1 1 62 62 LEU HA H 62 4.035 4.035 3.968 0.067 19155 7323 1 16 . 1 1 62 62 LEU C C 62 178.363 178.363 178.870 -0.507 19155 7324 1 16 . 1 1 62 62 LEU CA C 62 58.725 58.725 58.009 0.716 19155 7325 1 16 . 1 1 62 62 LEU CB C 62 41.836 41.836 41.727 0.109 19155 7326 1 16 . 1 1 62 62 LEU H H 62 7.736 7.736 7.700 0.036 19155 7327 1 16 . 1 1 63 63 GLN N N 63 117.441 117.441 116.998 0.443 19155 7328 1 16 . 1 1 63 63 GLN HA H 63 4.078 4.078 4.019 0.059 19155 7329 1 16 . 1 1 63 63 GLN C C 63 179.312 179.312 177.831 1.481 19155 7330 1 16 . 1 1 63 63 GLN CA C 63 59.062 59.062 58.622 0.440 19155 7331 1 16 . 1 1 63 63 GLN CB C 63 27.819 27.819 28.312 -0.493 19155 7332 1 16 . 1 1 63 63 GLN H H 63 7.943 7.943 7.530 0.413 19155 7333 1 16 . 1 1 64 64 ILE N N 64 120.406 120.406 120.000 0.406 19155 7334 1 16 . 1 1 64 64 ILE HA H 64 3.809 3.809 4.017 -0.208 19155 7335 1 16 . 1 1 64 64 ILE C C 64 178.734 178.734 177.676 1.058 19155 7336 1 16 . 1 1 64 64 ILE CA C 64 64.722 64.722 61.275 3.447 19155 7337 1 16 . 1 1 64 64 ILE CB C 64 37.971 37.971 36.827 1.145 19155 7338 1 16 . 1 1 64 64 ILE H H 64 7.544 7.544 7.569 -0.025 19155 7339 1 16 . 1 1 65 65 LEU N N 65 120.247 120.247 121.052 -0.805 19155 7340 1 16 . 1 1 65 65 LEU HA H 65 4.212 4.212 3.995 0.217 19155 7341 1 16 . 1 1 65 65 LEU C C 65 179.685 179.685 178.970 0.715 19155 7342 1 16 . 1 1 65 65 LEU CA C 65 58.004 58.004 58.399 -0.395 19155 7343 1 16 . 1 1 65 65 LEU CB C 65 42.553 42.553 41.203 1.351 19155 7344 1 16 . 1 1 65 65 LEU H H 65 8.361 8.361 8.554 -0.193 19155 7345 1 16 . 1 1 66 66 MET N N 66 118.685 118.685 117.544 1.141 19155 7346 1 16 . 1 1 66 66 MET HA H 66 3.918 3.918 3.962 -0.044 19155 7347 1 16 . 1 1 66 66 MET C C 66 178.906 178.906 178.361 0.545 19155 7348 1 16 . 1 1 66 66 MET CA C 66 59.467 59.467 59.654 -0.187 19155 7349 1 16 . 1 1 66 66 MET CB C 66 33.519 33.519 32.167 1.352 19155 7350 1 16 . 1 1 66 66 MET H H 66 8.458 8.458 7.615 0.843 19155 7351 1 16 . 1 1 67 67 MET N N 67 118.685 118.685 118.116 0.569 19155 7352 1 16 . 1 1 67 67 MET HA H 67 4.098 4.098 4.032 0.066 19155 7353 1 16 . 1 1 67 67 MET C C 67 178.781 178.781 178.482 0.299 19155 7354 1 16 . 1 1 67 67 MET CA C 67 58.379 58.379 58.790 -0.411 19155 7355 1 16 . 1 1 67 67 MET CB C 67 32.031 32.031 32.249 -0.218 19155 7356 1 16 . 1 1 67 67 MET H H 67 7.559 7.559 7.698 -0.139 19155 7357 1 16 . 1 1 68 68 GLU N N 68 122.128 122.128 120.812 1.316 19155 7358 1 16 . 1 1 68 68 GLU HA H 68 3.990 3.990 3.932 0.058 19155 7359 1 16 . 1 1 68 68 GLU C C 68 178.803 178.803 178.793 0.010 19155 7360 1 16 . 1 1 68 68 GLU CA C 68 59.459 59.459 60.184 -0.725 19155 7361 1 16 . 1 1 68 68 GLU CB C 68 30.706 30.706 29.375 1.331 19155 7362 1 16 . 1 1 68 68 GLU H H 68 8.895 8.895 8.734 0.161 19155 7363 1 16 . 1 1 69 69 SER N N 69 114.769 114.769 115.320 -0.551 19155 7364 1 16 . 1 1 69 69 SER HA H 69 2.872 2.872 3.297 -0.425 19155 7365 1 16 . 1 1 69 69 SER C C 69 175.801 175.801 176.348 -0.547 19155 7366 1 16 . 1 1 69 69 SER CA C 69 62.000 62.000 61.855 0.145 19155 7367 1 16 . 1 1 69 69 SER CB C 69 62.282 62.282 62.371 -0.089 19155 7368 1 16 . 1 1 69 69 SER H H 69 8.161 8.161 7.943 0.218 19155 7369 1 16 . 1 1 70 70 ARG N N 70 120.552 120.552 121.500 -0.948 19155 7370 1 16 . 1 1 70 70 ARG HA H 70 3.744 3.744 3.692 0.052 19155 7371 1 16 . 1 1 70 70 ARG C C 70 177.654 177.654 178.611 -0.957 19155 7372 1 16 . 1 1 70 70 ARG CA C 70 59.793 59.793 59.419 0.374 19155 7373 1 16 . 1 1 70 70 ARG CB C 70 29.974 29.974 29.774 0.200 19155 7374 1 16 . 1 1 70 70 ARG H H 70 6.945 6.945 7.816 -0.871 19155 7375 1 16 . 1 1 71 71 SER N N 71 113.064 113.064 115.716 -2.652 19155 7376 1 16 . 1 1 71 71 SER HA H 71 4.275 4.275 4.107 0.168 19155 7377 1 16 . 1 1 71 71 SER C C 71 177.491 177.491 176.297 1.194 19155 7378 1 16 . 1 1 71 71 SER CA C 71 61.571 61.571 62.402 -0.831 19155 7379 1 16 . 1 1 71 71 SER CB C 71 62.710 62.710 62.623 0.087 19155 7380 1 16 . 1 1 71 71 SER H H 71 7.721 7.721 8.156 -0.435 19155 7381 1 16 . 1 1 72 72 LYS N N 72 121.657 121.657 121.770 -0.113 19155 7382 1 16 . 1 1 72 72 LYS HA H 72 4.170 4.170 4.004 0.166 19155 7383 1 16 . 1 1 72 72 LYS C C 72 180.429 180.429 178.694 1.735 19155 7384 1 16 . 1 1 72 72 LYS CA C 72 58.725 58.725 59.434 -0.709 19155 7385 1 16 . 1 1 72 72 LYS CB C 72 32.131 32.131 32.262 -0.131 19155 7386 1 16 . 1 1 72 72 LYS H H 72 8.414 8.414 7.802 0.612 19155 7387 1 16 . 1 1 73 73 VAL N N 73 123.222 123.222 120.442 2.780 19155 7388 1 16 . 1 1 73 73 VAL HA H 73 3.598 3.598 3.661 -0.063 19155 7389 1 16 . 1 1 73 73 VAL C C 73 176.929 176.929 177.452 -0.523 19155 7390 1 16 . 1 1 73 73 VAL CA C 73 66.975 66.975 67.155 -0.180 19155 7391 1 16 . 1 1 73 73 VAL CB C 73 31.704 31.704 31.706 -0.002 19155 7392 1 16 . 1 1 73 73 VAL H H 73 8.421 8.421 8.268 0.153 19155 7393 1 16 . 1 1 74 74 ASP N N 74 120.101 120.101 119.706 0.395 19155 7394 1 16 . 1 1 74 74 ASP HA H 74 4.393 4.393 4.286 0.107 19155 7395 1 16 . 1 1 74 74 ASP C C 74 180.001 180.001 178.233 1.768 19155 7396 1 16 . 1 1 74 74 ASP CA C 74 57.324 57.324 58.084 -0.760 19155 7397 1 16 . 1 1 74 74 ASP CB C 74 39.326 39.326 41.020 -1.694 19155 7398 1 16 . 1 1 74 74 ASP H H 74 8.674 8.674 8.478 0.196 19155 7399 1 16 . 1 1 75 75 GLU N N 75 121.349 121.349 119.743 1.606 19155 7400 1 16 . 1 1 75 75 GLU HA H 75 4.113 4.113 3.983 0.130 19155 7401 1 16 . 1 1 75 75 GLU C C 75 178.732 178.732 178.687 0.045 19155 7402 1 16 . 1 1 75 75 GLU CA C 75 59.083 59.083 59.336 -0.253 19155 7403 1 16 . 1 1 75 75 GLU CB C 75 29.975 29.975 29.787 0.188 19155 7404 1 16 . 1 1 75 75 GLU H H 75 8.475 8.475 8.111 0.364 19155 7405 1 16 . 1 1 76 76 ALA N N 76 124.160 124.160 122.312 1.848 19155 7406 1 16 . 1 1 76 76 ALA HA H 76 4.281 4.281 4.143 0.138 19155 7407 1 16 . 1 1 76 76 ALA C C 76 179.906 179.906 180.035 -0.129 19155 7408 1 16 . 1 1 76 76 ALA CA C 76 55.530 55.530 55.237 0.292 19155 7409 1 16 . 1 1 76 76 ALA CB C 76 17.424 17.424 18.493 -1.069 19155 7410 1 16 . 1 1 76 76 ALA H H 76 7.944 7.944 8.070 -0.126 19155 7411 1 16 . 1 1 77 77 VAL N N 77 117.439 117.439 118.451 -1.012 19155 7412 1 16 . 1 1 77 77 VAL HA H 77 3.644 3.644 3.600 0.044 19155 7413 1 16 . 1 1 77 77 VAL C C 77 178.784 178.784 178.310 0.474 19155 7414 1 16 . 1 1 77 77 VAL CA C 77 66.958 66.958 66.945 0.013 19155 7415 1 16 . 1 1 77 77 VAL CB C 77 31.807 31.807 31.790 0.017 19155 7416 1 16 . 1 1 77 77 VAL H H 77 8.204 8.204 8.524 -0.320 19155 7417 1 16 . 1 1 78 78 SER N N 78 113.687 113.687 113.183 0.504 19155 7418 1 16 . 1 1 78 78 SER HA H 78 4.266 4.266 4.501 -0.235 19155 7419 1 16 . 1 1 78 78 SER C C 78 176.762 176.762 175.476 1.286 19155 7420 1 16 . 1 1 78 78 SER CA C 78 61.241 61.241 60.544 0.697 19155 7421 1 16 . 1 1 78 78 SER CB C 78 62.678 62.678 63.155 -0.477 19155 7422 1 16 . 1 1 78 78 SER H H 78 7.935 7.935 8.339 -0.404 19155 7423 1 16 . 1 1 79 79 LYS N N 79 121.029 121.029 120.039 0.990 19155 7424 1 16 . 1 1 79 79 LYS HA H 79 4.070 4.070 4.077 -0.007 19155 7425 1 16 . 1 1 79 79 LYS C C 79 178.135 178.135 177.873 0.262 19155 7426 1 16 . 1 1 79 79 LYS CA C 79 58.723 58.723 58.781 -0.058 19155 7427 1 16 . 1 1 79 79 LYS CB C 79 32.489 32.489 32.652 -0.163 19155 7428 1 16 . 1 1 79 79 LYS H H 79 7.989 7.989 7.882 0.107 19155 7429 1 16 . 1 1 80 80 PHE N N 80 117.437 117.437 115.613 1.824 19155 7430 1 16 . 1 1 80 80 PHE HA H 80 4.490 4.490 4.375 0.115 19155 7431 1 16 . 1 1 80 80 PHE C C 80 176.236 176.236 176.635 -0.399 19155 7432 1 16 . 1 1 80 80 PHE CA C 80 59.444 59.444 59.716 -0.272 19155 7433 1 16 . 1 1 80 80 PHE CB C 80 40.032 40.032 39.957 0.075 19155 7434 1 16 . 1 1 80 80 PHE H H 80 7.838 7.838 7.605 0.233 19155 7435 1 16 . 1 1 81 81 GLU N N 81 120.092 120.092 117.153 2.939 19155 7436 1 16 . 1 1 81 81 GLU HA H 81 4.290 4.290 4.282 0.008 19155 7437 1 16 . 1 1 81 81 GLU C C 81 175.715 175.715 176.259 -0.544 19155 7438 1 16 . 1 1 81 81 GLU CA C 81 56.928 56.928 56.816 0.112 19155 7439 1 16 . 1 1 81 81 GLU CB C 81 29.997 29.997 29.803 0.194 19155 7440 1 16 . 1 1 81 81 GLU H H 81 7.864 7.864 8.427 -0.563 19155 7441 1 17 . 1 1 2 2 ASP N N 2 119.961 119.961 119.721 0.240 19155 7442 1 17 . 1 1 2 2 ASP HA H 2 4.440 4.440 4.339 0.101 19155 7443 1 17 . 1 1 2 2 ASP C C 2 178.594 178.594 178.062 0.532 19155 7444 1 17 . 1 1 2 2 ASP CA C 2 57.997 57.997 57.271 0.726 19155 7445 1 17 . 1 1 2 2 ASP CB C 2 40.098 40.098 40.477 -0.379 19155 7446 1 17 . 1 1 2 2 ASP H H 2 8.260 8.260 8.670 -0.410 19155 7447 1 17 . 1 1 3 3 SER N N 3 115.401 115.401 115.161 0.240 19155 7448 1 17 . 1 1 3 3 SER HA H 3 4.358 4.358 4.084 0.274 19155 7449 1 17 . 1 1 3 3 SER C C 3 177.657 177.657 176.569 1.088 19155 7450 1 17 . 1 1 3 3 SER CA C 3 60.656 60.656 60.925 -0.269 19155 7451 1 17 . 1 1 3 3 SER CB C 3 62.319 62.319 62.851 -0.532 19155 7452 1 17 . 1 1 3 3 SER H H 3 8.112 8.112 8.228 -0.116 19155 7453 1 17 . 1 1 4 4 GLU N N 4 122.287 122.287 122.568 -0.281 19155 7454 1 17 . 1 1 4 4 GLU HA H 4 4.045 4.045 4.141 -0.096 19155 7455 1 17 . 1 1 4 4 GLU C C 4 180.035 180.035 178.332 1.703 19155 7456 1 17 . 1 1 4 4 GLU CA C 4 59.072 59.072 58.578 0.494 19155 7457 1 17 . 1 1 4 4 GLU CB C 4 28.538 28.538 29.747 -1.209 19155 7458 1 17 . 1 1 4 4 GLU H H 4 8.472 8.472 7.728 0.744 19155 7459 1 17 . 1 1 5 5 ARG N N 5 121.026 121.026 119.166 1.860 19155 7460 1 17 . 1 1 5 5 ARG HA H 5 3.894 3.894 4.053 -0.159 19155 7461 1 17 . 1 1 5 5 ARG C C 5 178.298 178.298 178.440 -0.142 19155 7462 1 17 . 1 1 5 5 ARG CA C 5 60.564 60.564 59.247 1.317 19155 7463 1 17 . 1 1 5 5 ARG CB C 5 30.681 30.681 29.726 0.955 19155 7464 1 17 . 1 1 5 5 ARG H H 5 8.771 8.771 8.028 0.743 19155 7465 1 17 . 1 1 6 6 ASP N N 6 119.775 119.775 120.585 -0.810 19155 7466 1 17 . 1 1 6 6 ASP HA H 6 4.455 4.455 4.460 -0.004 19155 7467 1 17 . 1 1 6 6 ASP C C 6 178.676 178.676 177.838 0.838 19155 7468 1 17 . 1 1 6 6 ASP CA C 6 57.956 57.956 57.512 0.444 19155 7469 1 17 . 1 1 6 6 ASP CB C 6 40.774 40.774 41.095 -0.321 19155 7470 1 17 . 1 1 6 6 ASP H H 6 7.889 7.889 8.206 -0.317 19155 7471 1 17 . 1 1 7 7 LYS N N 7 119.937 119.937 119.412 0.525 19155 7472 1 17 . 1 1 7 7 LYS HA H 7 4.014 4.014 3.976 0.038 19155 7473 1 17 . 1 1 7 7 LYS C C 7 178.977 178.977 178.866 0.111 19155 7474 1 17 . 1 1 7 7 LYS CA C 7 59.793 59.793 59.352 0.441 19155 7475 1 17 . 1 1 7 7 LYS CB C 7 32.850 32.850 31.914 0.936 19155 7476 1 17 . 1 1 7 7 LYS H H 7 7.950 7.950 7.505 0.446 19155 7477 1 17 . 1 1 8 8 ALA N N 8 122.436 122.436 122.838 -0.402 19155 7478 1 17 . 1 1 8 8 ALA HA H 8 4.478 4.478 4.101 0.377 19155 7479 1 17 . 1 1 8 8 ALA C C 8 178.764 178.764 179.488 -0.724 19155 7480 1 17 . 1 1 8 8 ALA CA C 8 55.168 55.168 54.967 0.201 19155 7481 1 17 . 1 1 8 8 ALA CB C 8 19.502 19.502 18.574 0.928 19155 7482 1 17 . 1 1 8 8 ALA H H 8 7.976 7.976 8.612 -0.636 19155 7483 1 17 . 1 1 9 9 ARG N N 9 118.059 118.059 116.864 1.195 19155 7484 1 17 . 1 1 9 9 ARG HA H 9 3.801 3.801 4.009 -0.208 19155 7485 1 17 . 1 1 9 9 ARG C C 9 177.874 177.874 178.471 -0.597 19155 7486 1 17 . 1 1 9 9 ARG CA C 9 59.794 59.794 59.087 0.707 19155 7487 1 17 . 1 1 9 9 ARG CB C 9 29.989 29.989 29.753 0.236 19155 7488 1 17 . 1 1 9 9 ARG H H 9 8.489 8.489 8.261 0.228 19155 7489 1 17 . 1 1 10 10 LYS N N 10 118.064 118.064 119.308 -1.244 19155 7490 1 17 . 1 1 10 10 LYS HA H 10 4.138 4.138 4.164 -0.026 19155 7491 1 17 . 1 1 10 10 LYS C C 10 178.619 178.619 179.045 -0.426 19155 7492 1 17 . 1 1 10 10 LYS CA C 10 59.421 59.421 58.565 0.856 19155 7493 1 17 . 1 1 10 10 LYS CB C 10 32.467 32.467 31.784 0.683 19155 7494 1 17 . 1 1 10 10 LYS H H 10 7.833 7.833 8.425 -0.592 19155 7495 1 17 . 1 1 11 11 GLU N N 11 118.845 118.845 119.856 -1.011 19155 7496 1 17 . 1 1 11 11 GLU HA H 11 4.107 4.107 4.124 -0.017 19155 7497 1 17 . 1 1 11 11 GLU C C 11 180.137 180.137 179.023 1.114 19155 7498 1 17 . 1 1 11 11 GLU CA C 11 59.803 59.803 59.587 0.216 19155 7499 1 17 . 1 1 11 11 GLU CB C 11 29.248 29.248 29.309 -0.061 19155 7500 1 17 . 1 1 11 11 GLU H H 11 7.991 7.991 8.417 -0.426 19155 7501 1 17 . 1 1 12 12 VAL N N 12 120.562 120.562 115.925 4.637 19155 7502 1 17 . 1 1 12 12 VAL HA H 12 3.851 3.851 3.919 -0.068 19155 7503 1 17 . 1 1 12 12 VAL C C 12 178.182 178.182 177.617 0.565 19155 7504 1 17 . 1 1 12 12 VAL CA C 12 66.625 66.625 65.591 1.034 19155 7505 1 17 . 1 1 12 12 VAL CB C 12 31.784 31.784 31.529 0.255 19155 7506 1 17 . 1 1 12 12 VAL H H 12 8.173 8.173 7.572 0.601 19155 7507 1 17 . 1 1 13 13 GLU N N 13 117.912 117.912 122.052 -4.140 19155 7508 1 17 . 1 1 13 13 GLU HA H 13 3.841 3.841 3.913 -0.072 19155 7509 1 17 . 1 1 13 13 GLU C C 13 179.959 179.959 178.914 1.045 19155 7510 1 17 . 1 1 13 13 GLU CA C 13 60.498 60.498 60.630 -0.132 19155 7511 1 17 . 1 1 13 13 GLU CB C 13 30.014 30.014 29.561 0.453 19155 7512 1 17 . 1 1 13 13 GLU H H 13 8.624 8.624 8.503 0.121 19155 7513 1 17 . 1 1 14 14 GLU N N 14 117.909 117.909 118.219 -0.310 19155 7514 1 17 . 1 1 14 14 GLU HA H 14 4.025 4.025 4.010 0.015 19155 7515 1 17 . 1 1 14 14 GLU C C 14 179.020 179.020 178.813 0.207 19155 7516 1 17 . 1 1 14 14 GLU CA C 14 59.442 59.442 59.092 0.350 19155 7517 1 17 . 1 1 14 14 GLU CB C 14 29.257 29.257 29.023 0.234 19155 7518 1 17 . 1 1 14 14 GLU H H 14 8.904 8.904 8.484 0.420 19155 7519 1 17 . 1 1 15 15 TYR N N 15 122.592 122.592 121.094 1.498 19155 7520 1 17 . 1 1 15 15 TYR HA H 15 4.359 4.359 4.193 0.166 19155 7521 1 17 . 1 1 15 15 TYR C C 15 177.581 177.581 177.497 0.084 19155 7522 1 17 . 1 1 15 15 TYR CA C 15 62.430 62.430 61.814 0.616 19155 7523 1 17 . 1 1 15 15 TYR CB C 15 38.541 38.541 38.889 -0.348 19155 7524 1 17 . 1 1 15 15 TYR H H 15 8.170 8.170 7.475 0.695 19155 7525 1 17 . 1 1 16 16 VAL N N 16 116.497 116.497 120.130 -3.633 19155 7526 1 17 . 1 1 16 16 VAL HA H 16 3.386 3.386 3.464 -0.078 19155 7527 1 17 . 1 1 16 16 VAL C C 16 177.221 177.221 177.460 -0.239 19155 7528 1 17 . 1 1 16 16 VAL CA C 16 68.053 68.053 67.332 0.721 19155 7529 1 17 . 1 1 16 16 VAL CB C 16 31.427 31.427 31.503 -0.076 19155 7530 1 17 . 1 1 16 16 VAL H H 16 7.953 7.953 8.193 -0.240 19155 7531 1 17 . 1 1 17 17 LYS N N 17 118.530 118.530 118.949 -0.419 19155 7532 1 17 . 1 1 17 17 LYS HA H 17 3.922 3.922 3.908 0.014 19155 7533 1 17 . 1 1 17 17 LYS C C 17 179.742 179.742 178.660 1.082 19155 7534 1 17 . 1 1 17 17 LYS CA C 17 60.145 60.145 59.650 0.495 19155 7535 1 17 . 1 1 17 17 LYS CB C 17 32.827 32.827 32.208 0.619 19155 7536 1 17 . 1 1 17 17 LYS H H 17 8.274 8.274 8.448 -0.174 19155 7537 1 17 . 1 1 18 18 LYS N N 18 121.031 121.031 120.040 0.991 19155 7538 1 17 . 1 1 18 18 LYS HA H 18 4.018 4.018 4.009 0.009 19155 7539 1 17 . 1 1 18 18 LYS C C 18 178.962 178.962 178.788 0.174 19155 7540 1 17 . 1 1 18 18 LYS CA C 18 59.085 59.085 59.389 -0.304 19155 7541 1 17 . 1 1 18 18 LYS CB C 18 32.132 32.132 32.391 -0.259 19155 7542 1 17 . 1 1 18 18 LYS H H 18 7.946 7.946 7.760 0.186 19155 7543 1 17 . 1 1 19 19 ILE N N 19 120.718 120.718 119.713 1.005 19155 7544 1 17 . 1 1 19 19 ILE HA H 19 3.727 3.727 3.657 0.070 19155 7545 1 17 . 1 1 19 19 ILE C C 19 172.120 172.120 178.092 -5.972 19155 7546 1 17 . 1 1 19 19 ILE CA C 19 62.128 62.128 64.751 -2.623 19155 7547 1 17 . 1 1 19 19 ILE CB C 19 35.988 35.988 37.834 -1.846 19155 7548 1 17 . 1 1 19 19 ILE H H 19 7.796 7.796 7.906 -0.110 19155 7549 1 17 . 1 1 20 20 VAL N N 20 124.792 124.792 121.428 3.364 19155 7550 1 17 . 1 1 20 20 VAL HA H 20 3.312 3.312 3.317 -0.005 19155 7551 1 17 . 1 1 20 20 VAL C C 20 177.873 177.873 177.598 0.275 19155 7552 1 17 . 1 1 20 20 VAL CA C 20 67.738 67.738 67.351 0.387 19155 7553 1 17 . 1 1 20 20 VAL CB C 20 31.772 31.772 30.868 0.904 19155 7554 1 17 . 1 1 20 20 VAL H H 20 9.190 9.190 8.695 0.495 19155 7555 1 17 . 1 1 21 21 GLY N N 21 106.034 106.034 106.167 -0.133 19155 7556 1 17 . 1 1 21 21 GLY C C 21 177.470 177.470 176.112 1.358 19155 7557 1 17 . 1 1 21 21 GLY CA C 21 47.226 47.226 47.074 0.152 19155 7558 1 17 . 1 1 21 21 GLY H H 21 8.117 8.117 7.674 0.443 19155 7559 1 17 . 1 1 22 22 GLU N N 22 122.282 122.282 122.169 0.113 19155 7560 1 17 . 1 1 22 22 GLU HA H 22 4.104 4.104 3.967 0.137 19155 7561 1 17 . 1 1 22 22 GLU C C 22 178.827 178.827 178.986 -0.159 19155 7562 1 17 . 1 1 22 22 GLU CA C 22 59.016 59.016 59.364 -0.348 19155 7563 1 17 . 1 1 22 22 GLU CB C 22 29.619 29.619 29.562 0.057 19155 7564 1 17 . 1 1 22 22 GLU H H 22 8.197 8.197 8.264 -0.067 19155 7565 1 17 . 1 1 23 23 SER N N 23 116.812 116.812 115.731 1.081 19155 7566 1 17 . 1 1 23 23 SER HA H 23 4.201 4.201 4.176 0.025 19155 7567 1 17 . 1 1 23 23 SER C C 23 177.084 177.084 175.625 1.459 19155 7568 1 17 . 1 1 23 23 SER CA C 23 61.998 61.998 61.454 0.544 19155 7569 1 17 . 1 1 23 23 SER CB C 23 62.105 62.105 62.904 -0.799 19155 7570 1 17 . 1 1 23 23 SER H H 23 8.285 8.285 7.860 0.425 19155 7571 1 17 . 1 1 24 24 TYR N N 24 120.879 120.879 118.613 2.266 19155 7572 1 17 . 1 1 24 24 TYR HA H 24 4.396 4.396 4.190 0.206 19155 7573 1 17 . 1 1 24 24 TYR C C 24 178.846 178.846 178.175 0.671 19155 7574 1 17 . 1 1 24 24 TYR CA C 24 61.189 61.189 59.360 1.829 19155 7575 1 17 . 1 1 24 24 TYR CB C 24 37.866 37.866 37.748 0.118 19155 7576 1 17 . 1 1 24 24 TYR H H 24 8.254 8.254 7.623 0.631 19155 7577 1 17 . 1 1 25 25 ALA N N 25 122.124 122.124 121.867 0.257 19155 7578 1 17 . 1 1 25 25 ALA HA H 25 4.251 4.251 4.141 0.110 19155 7579 1 17 . 1 1 25 25 ALA C C 25 178.999 178.999 178.418 0.581 19155 7580 1 17 . 1 1 25 25 ALA CA C 25 54.608 54.608 54.562 0.046 19155 7581 1 17 . 1 1 25 25 ALA CB C 25 18.108 18.108 18.598 -0.490 19155 7582 1 17 . 1 1 25 25 ALA H H 25 8.018 8.018 8.156 -0.138 19155 7583 1 17 . 1 1 26 26 LYS N N 26 115.251 115.251 117.241 -1.990 19155 7584 1 17 . 1 1 26 26 LYS HA H 26 4.459 4.459 4.426 0.033 19155 7585 1 17 . 1 1 26 26 LYS C C 26 176.598 176.598 176.250 0.348 19155 7586 1 17 . 1 1 26 26 LYS CA C 26 56.209 56.209 55.874 0.335 19155 7587 1 17 . 1 1 26 26 LYS CB C 26 33.191 33.191 31.924 1.267 19155 7588 1 17 . 1 1 26 26 LYS H H 26 7.533 7.533 8.085 -0.552 19155 7589 1 17 . 1 1 27 27 SER N N 27 115.400 115.400 115.343 0.057 19155 7590 1 17 . 1 1 27 27 SER HA H 27 4.332 4.332 4.359 -0.027 19155 7591 1 17 . 1 1 27 27 SER C C 27 174.768 174.768 174.493 0.275 19155 7592 1 17 . 1 1 27 27 SER CA C 27 58.808 58.808 58.497 0.311 19155 7593 1 17 . 1 1 27 27 SER CB C 27 63.397 63.397 63.755 -0.358 19155 7594 1 17 . 1 1 27 27 SER H H 27 7.570 7.570 7.537 0.033 19155 7595 1 17 . 1 1 28 28 THR N N 28 114.468 114.468 113.636 0.832 19155 7596 1 17 . 1 1 28 28 THR HA H 28 4.649 4.649 4.698 -0.049 19155 7597 1 17 . 1 1 28 28 THR CA C 28 60.242 60.242 60.229 0.013 19155 7598 1 17 . 1 1 28 28 THR CB C 28 71.544 71.544 70.708 0.836 19155 7599 1 17 . 1 1 28 28 THR H H 28 7.725 7.725 8.156 -0.431 19155 7600 1 17 . 1 1 29 29 LYS HA H 29 4.300 4.300 4.269 0.031 19155 7601 1 17 . 1 1 29 29 LYS CA C 29 57.974 57.974 58.791 -0.817 19155 7602 1 17 . 1 1 29 29 LYS CB C 29 32.820 32.820 32.243 0.577 19155 7603 1 17 . 1 1 30 30 LYS HA H 30 4.154 4.154 4.149 0.005 19155 7604 1 17 . 1 1 30 30 LYS CA C 30 58.725 58.725 57.910 0.815 19155 7605 1 17 . 1 1 31 31 ARG HA H 31 4.533 4.533 4.197 0.336 19155 7606 1 17 . 1 1 31 31 ARG CA C 31 56.137 56.137 57.869 -1.732 19155 7607 1 17 . 1 1 31 31 ARG CB C 31 31.003 31.003 30.086 0.917 19155 7608 1 17 . 1 1 32 32 HIS HA H 32 4.570 4.570 4.251 0.319 19155 7609 1 17 . 1 1 32 32 HIS C C 32 176.136 176.136 176.827 -0.691 19155 7610 1 17 . 1 1 32 32 HIS CA C 32 58.689 58.689 60.015 -1.326 19155 7611 1 17 . 1 1 32 32 HIS CB C 32 30.731 30.731 29.658 1.073 19155 7612 1 17 . 1 1 33 33 THR N N 33 111.162 111.162 115.833 -4.671 19155 7613 1 17 . 1 1 33 33 THR HA H 33 3.976 3.976 3.998 -0.022 19155 7614 1 17 . 1 1 33 33 THR C C 33 176.807 176.807 176.619 0.188 19155 7615 1 17 . 1 1 33 33 THR CA C 33 65.194 65.194 67.173 -1.979 19155 7616 1 17 . 1 1 33 33 THR CB C 33 68.428 68.428 68.361 0.068 19155 7617 1 17 . 1 1 33 33 THR H H 33 8.355 8.355 8.156 0.199 19155 7618 1 17 . 1 1 34 34 ILE N N 34 123.220 123.220 121.242 1.978 19155 7619 1 17 . 1 1 34 34 ILE HA H 34 4.047 4.047 3.628 0.419 19155 7620 1 17 . 1 1 34 34 ILE C C 34 176.944 176.944 177.342 -0.398 19155 7621 1 17 . 1 1 34 34 ILE CA C 34 63.746 63.746 64.961 -1.215 19155 7622 1 17 . 1 1 34 34 ILE CB C 34 37.905 37.905 37.396 0.509 19155 7623 1 17 . 1 1 34 34 ILE H H 34 7.824 7.824 8.025 -0.201 19155 7624 1 17 . 1 1 35 35 THR N N 35 118.694 118.694 117.654 1.040 19155 7625 1 17 . 1 1 35 35 THR HA H 35 4.103 4.103 3.842 0.261 19155 7626 1 17 . 1 1 35 35 THR C C 35 175.385 175.385 176.789 -1.404 19155 7627 1 17 . 1 1 35 35 THR CA C 35 63.339 63.339 66.931 -3.592 19155 7628 1 17 . 1 1 35 35 THR CB C 35 68.428 68.428 68.314 0.114 19155 7629 1 17 . 1 1 35 35 THR H H 35 8.053 8.053 7.636 0.417 19155 7630 1 17 . 1 1 36 36 VAL N N 36 120.252 120.252 121.229 -0.977 19155 7631 1 17 . 1 1 36 36 VAL HA H 36 3.494 3.494 3.723 -0.229 19155 7632 1 17 . 1 1 36 36 VAL C C 36 177.667 177.667 177.141 0.526 19155 7633 1 17 . 1 1 36 36 VAL CA C 36 66.312 66.312 66.456 -0.144 19155 7634 1 17 . 1 1 36 36 VAL CB C 36 31.787 31.787 31.022 0.765 19155 7635 1 17 . 1 1 36 36 VAL H H 36 8.148 8.148 8.173 -0.025 19155 7636 1 17 . 1 1 37 37 ALA N N 37 121.815 121.815 122.478 -0.663 19155 7637 1 17 . 1 1 37 37 ALA HA H 37 4.168 4.168 4.011 0.157 19155 7638 1 17 . 1 1 37 37 ALA C C 37 180.404 180.404 179.395 1.009 19155 7639 1 17 . 1 1 37 37 ALA CA C 37 55.062 55.062 54.973 0.089 19155 7640 1 17 . 1 1 37 37 ALA CB C 37 18.114 18.114 18.111 0.003 19155 7641 1 17 . 1 1 37 37 ALA H H 37 7.526 7.526 7.493 0.033 19155 7642 1 17 . 1 1 38 38 LEU N N 38 122.124 122.124 119.538 2.586 19155 7643 1 17 . 1 1 38 38 LEU HA H 38 3.574 3.574 3.594 -0.020 19155 7644 1 17 . 1 1 38 38 LEU C C 38 177.815 177.815 178.157 -0.342 19155 7645 1 17 . 1 1 38 38 LEU CA C 38 57.671 57.671 57.398 0.273 19155 7646 1 17 . 1 1 38 38 LEU CB C 38 40.383 40.383 41.696 -1.313 19155 7647 1 17 . 1 1 38 38 LEU H H 38 7.987 7.987 7.839 0.148 19155 7648 1 17 . 1 1 39 39 VAL N N 39 119.627 119.627 119.384 0.243 19155 7649 1 17 . 1 1 39 39 VAL HA H 39 3.295 3.295 3.450 -0.155 19155 7650 1 17 . 1 1 39 39 VAL C C 39 178.084 178.084 177.978 0.106 19155 7651 1 17 . 1 1 39 39 VAL CA C 39 67.710 67.710 66.627 1.083 19155 7652 1 17 . 1 1 39 39 VAL CB C 39 31.393 31.393 30.646 0.747 19155 7653 1 17 . 1 1 39 39 VAL H H 39 8.410 8.410 8.197 0.213 19155 7654 1 17 . 1 1 40 40 ASN N N 40 117.904 117.904 118.088 -0.184 19155 7655 1 17 . 1 1 40 40 ASN HA H 40 4.528 4.528 4.396 0.132 19155 7656 1 17 . 1 1 40 40 ASN C C 40 177.814 177.814 178.040 -0.226 19155 7657 1 17 . 1 1 40 40 ASN CA C 40 56.214 56.214 56.318 -0.104 19155 7658 1 17 . 1 1 40 40 ASN CB C 40 37.990 37.990 37.993 -0.003 19155 7659 1 17 . 1 1 40 40 ASN H H 40 8.211 8.211 8.493 -0.282 19155 7660 1 17 . 1 1 41 41 GLU N N 41 122.117 122.117 121.385 0.732 19155 7661 1 17 . 1 1 41 41 GLU HA H 41 4.330 4.330 4.206 0.124 19155 7662 1 17 . 1 1 41 41 GLU C C 41 179.186 179.186 178.839 0.347 19155 7663 1 17 . 1 1 41 41 GLU CA C 41 59.444 59.444 59.248 0.196 19155 7664 1 17 . 1 1 41 41 GLU CB C 41 28.935 28.935 29.905 -0.970 19155 7665 1 17 . 1 1 41 41 GLU H H 41 7.895 7.895 7.607 0.288 19155 7666 1 17 . 1 1 42 42 LEU N N 42 118.997 118.997 119.199 -0.202 19155 7667 1 17 . 1 1 42 42 LEU HA H 42 4.036 4.036 3.868 0.168 19155 7668 1 17 . 1 1 42 42 LEU C C 42 179.072 179.072 178.869 0.203 19155 7669 1 17 . 1 1 42 42 LEU CA C 42 58.028 58.028 58.675 -0.647 19155 7670 1 17 . 1 1 42 42 LEU CB C 42 41.053 41.053 41.815 -0.762 19155 7671 1 17 . 1 1 42 42 LEU H H 42 8.915 8.915 8.611 0.304 19155 7672 1 17 . 1 1 43 43 ASN N N 43 117.439 117.439 116.124 1.315 19155 7673 1 17 . 1 1 43 43 ASN HA H 43 4.560 4.560 4.399 0.161 19155 7674 1 17 . 1 1 43 43 ASN C C 43 177.692 177.692 176.952 0.740 19155 7675 1 17 . 1 1 43 43 ASN CA C 43 56.224 56.224 56.241 -0.017 19155 7676 1 17 . 1 1 43 43 ASN CB C 43 38.241 38.241 38.246 -0.005 19155 7677 1 17 . 1 1 43 43 ASN H H 43 8.436 8.436 8.345 0.091 19155 7678 1 17 . 1 1 44 44 ASN N N 44 121.188 121.188 119.098 2.090 19155 7679 1 17 . 1 1 44 44 ASN HA H 44 4.647 4.647 4.527 0.120 19155 7680 1 17 . 1 1 44 44 ASN C C 44 178.704 178.704 177.383 1.321 19155 7681 1 17 . 1 1 44 44 ASN CA C 44 56.233 56.233 56.002 0.231 19155 7682 1 17 . 1 1 44 44 ASN CB C 44 37.466 37.466 38.428 -0.963 19155 7683 1 17 . 1 1 44 44 ASN H H 44 8.079 8.079 7.553 0.526 19155 7684 1 17 . 1 1 45 45 ILE N N 45 124.315 124.315 120.795 3.520 19155 7685 1 17 . 1 1 45 45 ILE HA H 45 3.985 3.985 3.733 0.252 19155 7686 1 17 . 1 1 45 45 ILE C C 45 177.925 177.925 177.921 0.004 19155 7687 1 17 . 1 1 45 45 ILE CA C 45 65.578 65.578 65.558 0.020 19155 7688 1 17 . 1 1 45 45 ILE CB C 45 38.903 38.903 37.470 1.433 19155 7689 1 17 . 1 1 45 45 ILE H H 45 8.533 8.533 8.343 0.190 19155 7690 1 17 . 1 1 46 46 LYS N N 46 119.624 119.624 121.058 -1.434 19155 7691 1 17 . 1 1 46 46 LYS HA H 46 3.743 3.743 3.923 -0.180 19155 7692 1 17 . 1 1 46 46 LYS C C 46 177.699 177.699 179.095 -1.396 19155 7693 1 17 . 1 1 46 46 LYS CA C 46 60.161 60.161 60.450 -0.289 19155 7694 1 17 . 1 1 46 46 LYS CB C 46 31.420 31.420 32.309 -0.889 19155 7695 1 17 . 1 1 46 46 LYS H H 46 8.660 8.660 7.893 0.767 19155 7696 1 17 . 1 1 47 47 ASN N N 47 116.034 116.034 117.600 -1.566 19155 7697 1 17 . 1 1 47 47 ASN HA H 47 4.468 4.468 4.448 0.020 19155 7698 1 17 . 1 1 47 47 ASN C C 47 177.768 177.768 177.775 -0.007 19155 7699 1 17 . 1 1 47 47 ASN CA C 47 56.538 56.538 56.089 0.449 19155 7700 1 17 . 1 1 47 47 ASN CB C 47 37.882 37.882 37.965 -0.083 19155 7701 1 17 . 1 1 47 47 ASN H H 47 8.344 8.344 8.371 -0.027 19155 7702 1 17 . 1 1 48 48 GLU N N 48 121.665 121.665 121.341 0.324 19155 7703 1 17 . 1 1 48 48 GLU HA H 48 4.044 4.044 3.997 0.047 19155 7704 1 17 . 1 1 48 48 GLU C C 48 179.915 179.915 178.952 0.963 19155 7705 1 17 . 1 1 48 48 GLU CA C 48 59.444 59.444 59.641 -0.197 19155 7706 1 17 . 1 1 48 48 GLU CB C 48 29.230 29.230 29.818 -0.588 19155 7707 1 17 . 1 1 48 48 GLU H H 48 8.301 8.301 8.540 -0.239 19155 7708 1 17 . 1 1 49 49 TYR N N 49 117.600 117.600 119.096 -1.496 19155 7709 1 17 . 1 1 49 49 TYR HA H 49 3.992 3.992 4.325 -0.333 19155 7710 1 17 . 1 1 49 49 TYR C C 49 178.275 178.275 178.164 0.111 19155 7711 1 17 . 1 1 49 49 TYR CA C 49 64.508 64.508 61.371 3.137 19155 7712 1 17 . 1 1 49 49 TYR CB C 49 37.881 37.881 38.444 -0.563 19155 7713 1 17 . 1 1 49 49 TYR H H 49 8.581 8.581 8.632 -0.051 19155 7714 1 17 . 1 1 50 50 LEU N N 50 122.126 122.126 121.123 1.003 19155 7715 1 17 . 1 1 50 50 LEU HA H 50 4.181 4.181 3.800 0.381 19155 7716 1 17 . 1 1 50 50 LEU C C 50 180.089 180.089 178.625 1.464 19155 7717 1 17 . 1 1 50 50 LEU CA C 50 59.061 59.061 58.916 0.145 19155 7718 1 17 . 1 1 50 50 LEU CB C 50 40.096 40.096 41.523 -1.427 19155 7719 1 17 . 1 1 50 50 LEU H H 50 9.207 9.207 8.819 0.388 19155 7720 1 17 . 1 1 51 51 ASN N N 51 117.124 117.124 117.126 -0.002 19155 7721 1 17 . 1 1 51 51 ASN HA H 51 4.535 4.535 4.402 0.133 19155 7722 1 17 . 1 1 51 51 ASN C C 51 177.522 177.522 177.667 -0.145 19155 7723 1 17 . 1 1 51 51 ASN CA C 51 56.240 56.240 56.478 -0.238 19155 7724 1 17 . 1 1 51 51 ASN CB C 51 37.898 37.898 38.557 -0.659 19155 7725 1 17 . 1 1 51 51 ASN H H 51 7.634 7.634 7.944 -0.310 19155 7726 1 17 . 1 1 52 52 LYS N N 52 119.154 119.154 120.422 -1.268 19155 7727 1 17 . 1 1 52 52 LYS HA H 52 4.037 4.037 3.909 0.128 19155 7728 1 17 . 1 1 52 52 LYS C C 52 179.905 179.905 178.969 0.936 19155 7729 1 17 . 1 1 52 52 LYS CA C 52 59.803 59.803 59.583 0.220 19155 7730 1 17 . 1 1 52 52 LYS CB C 52 33.215 33.215 32.303 0.912 19155 7731 1 17 . 1 1 52 52 LYS H H 52 7.663 7.663 7.691 -0.028 19155 7732 1 17 . 1 1 53 53 ILE N N 53 121.662 121.662 120.015 1.647 19155 7733 1 17 . 1 1 53 53 ILE HA H 53 3.532 3.532 3.901 -0.369 19155 7734 1 17 . 1 1 53 53 ILE C C 53 178.489 178.489 178.997 -0.508 19155 7735 1 17 . 1 1 53 53 ILE CA C 53 65.906 65.906 64.922 0.984 19155 7736 1 17 . 1 1 53 53 ILE CB C 53 38.249 38.249 38.276 -0.027 19155 7737 1 17 . 1 1 53 53 ILE H H 53 8.493 8.493 8.456 0.037 19155 7738 1 17 . 1 1 54 54 VAL N N 54 119.477 119.477 121.243 -1.766 19155 7739 1 17 . 1 1 54 54 VAL HA H 54 3.647 3.647 3.706 -0.059 19155 7740 1 17 . 1 1 54 54 VAL C C 54 176.683 176.683 176.688 -0.005 19155 7741 1 17 . 1 1 54 54 VAL CA C 54 66.643 66.643 65.916 0.727 19155 7742 1 17 . 1 1 54 54 VAL CB C 54 31.448 31.448 32.404 -0.956 19155 7743 1 17 . 1 1 54 54 VAL H H 54 7.598 7.598 8.384 -0.786 19155 7744 1 17 . 1 1 55 55 GLU N N 55 114.467 114.467 118.080 -3.613 19155 7745 1 17 . 1 1 55 55 GLU HA H 55 4.281 4.281 4.346 -0.065 19155 7746 1 17 . 1 1 55 55 GLU C C 55 176.914 176.914 175.835 1.079 19155 7747 1 17 . 1 1 55 55 GLU CA C 55 56.195 56.195 55.468 0.727 19155 7748 1 17 . 1 1 55 55 GLU CB C 55 30.354 30.354 29.275 1.079 19155 7749 1 17 . 1 1 55 55 GLU H H 55 7.064 7.064 7.730 -0.666 19155 7750 1 17 . 1 1 56 56 SER N N 56 116.806 116.806 115.716 1.090 19155 7751 1 17 . 1 1 56 56 SER HA H 56 4.435 4.435 4.476 -0.041 19155 7752 1 17 . 1 1 56 56 SER C C 56 175.566 175.566 174.749 0.817 19155 7753 1 17 . 1 1 56 56 SER CA C 56 60.163 60.163 58.989 1.174 19155 7754 1 17 . 1 1 56 56 SER CB C 56 64.439 64.439 63.479 0.960 19155 7755 1 17 . 1 1 56 56 SER H H 56 7.504 7.504 7.473 0.031 19155 7756 1 17 . 1 1 57 57 THR N N 57 111.347 111.347 120.447 -9.100 19155 7757 1 17 . 1 1 57 57 THR HA H 57 4.539 4.539 4.304 0.235 19155 7758 1 17 . 1 1 57 57 THR C C 57 174.424 174.424 173.302 1.122 19155 7759 1 17 . 1 1 57 57 THR CA C 57 61.518 61.518 62.371 -0.853 19155 7760 1 17 . 1 1 57 57 THR CB C 57 70.377 70.377 68.879 1.498 19155 7761 1 17 . 1 1 57 57 THR H H 57 9.083 9.083 8.523 0.560 19155 7762 1 17 . 1 1 58 58 SER N N 58 115.415 115.415 116.753 -1.338 19155 7763 1 17 . 1 1 58 58 SER HA H 58 5.059 5.059 4.793 0.266 19155 7764 1 17 . 1 1 58 58 SER C C 58 174.278 174.278 174.292 -0.014 19155 7765 1 17 . 1 1 58 58 SER CA C 58 56.928 56.928 58.030 -1.102 19155 7766 1 17 . 1 1 58 58 SER CB C 58 66.570 66.570 65.295 1.275 19155 7767 1 17 . 1 1 58 58 SER H H 58 7.689 7.689 7.724 -0.035 19155 7768 1 17 . 1 1 59 59 GLU N N 59 124.305 124.305 127.348 -3.043 19155 7769 1 17 . 1 1 59 59 GLU HA H 59 3.990 3.990 4.061 -0.071 19155 7770 1 17 . 1 1 59 59 GLU C C 59 179.113 179.113 177.668 1.445 19155 7771 1 17 . 1 1 59 59 GLU CA C 59 60.159 60.159 59.227 0.931 19155 7772 1 17 . 1 1 59 59 GLU CB C 59 29.616 29.616 29.107 0.509 19155 7773 1 17 . 1 1 59 59 GLU H H 59 9.719 9.719 9.103 0.616 19155 7774 1 17 . 1 1 60 60 SER N N 60 115.406 115.406 112.919 2.487 19155 7775 1 17 . 1 1 60 60 SER HA H 60 4.249 4.249 4.238 0.011 19155 7776 1 17 . 1 1 60 60 SER C C 60 177.307 177.307 176.080 1.227 19155 7777 1 17 . 1 1 60 60 SER CA C 60 61.259 61.259 60.289 0.970 19155 7778 1 17 . 1 1 60 60 SER CB C 60 61.960 61.960 62.590 -0.630 19155 7779 1 17 . 1 1 60 60 SER H H 60 8.614 8.614 8.310 0.304 19155 7780 1 17 . 1 1 61 61 GLN N N 61 121.656 121.656 121.347 0.309 19155 7781 1 17 . 1 1 61 61 GLN HA H 61 4.107 4.107 4.282 -0.175 19155 7782 1 17 . 1 1 61 61 GLN C C 61 178.777 178.777 178.159 0.618 19155 7783 1 17 . 1 1 61 61 GLN CA C 61 58.743 58.743 57.571 1.172 19155 7784 1 17 . 1 1 61 61 GLN CB C 61 28.900 28.900 29.117 -0.217 19155 7785 1 17 . 1 1 61 61 GLN H H 61 7.669 7.669 7.383 0.286 19155 7786 1 17 . 1 1 62 62 LEU N N 62 118.689 118.689 120.551 -1.862 19155 7787 1 17 . 1 1 62 62 LEU HA H 62 4.035 4.035 3.933 0.102 19155 7788 1 17 . 1 1 62 62 LEU C C 62 178.363 178.363 178.857 -0.494 19155 7789 1 17 . 1 1 62 62 LEU CA C 62 58.725 58.725 58.130 0.595 19155 7790 1 17 . 1 1 62 62 LEU CB C 62 41.836 41.836 41.789 0.047 19155 7791 1 17 . 1 1 62 62 LEU H H 62 7.736 7.736 8.320 -0.584 19155 7792 1 17 . 1 1 63 63 GLN N N 63 117.441 117.441 116.546 0.895 19155 7793 1 17 . 1 1 63 63 GLN HA H 63 4.078 4.078 4.066 0.012 19155 7794 1 17 . 1 1 63 63 GLN C C 63 179.312 179.312 178.163 1.149 19155 7795 1 17 . 1 1 63 63 GLN CA C 63 59.062 59.062 58.290 0.772 19155 7796 1 17 . 1 1 63 63 GLN CB C 63 27.819 27.819 28.400 -0.581 19155 7797 1 17 . 1 1 63 63 GLN H H 63 7.943 7.943 7.660 0.283 19155 7798 1 17 . 1 1 64 64 ILE N N 64 120.406 120.406 120.498 -0.092 19155 7799 1 17 . 1 1 64 64 ILE HA H 64 3.809 3.809 4.002 -0.193 19155 7800 1 17 . 1 1 64 64 ILE C C 64 178.734 178.734 177.548 1.186 19155 7801 1 17 . 1 1 64 64 ILE CA C 64 64.722 64.722 61.665 3.057 19155 7802 1 17 . 1 1 64 64 ILE CB C 64 37.971 37.971 37.074 0.897 19155 7803 1 17 . 1 1 64 64 ILE H H 64 7.544 7.544 7.917 -0.373 19155 7804 1 17 . 1 1 65 65 LEU N N 65 120.247 120.247 120.679 -0.432 19155 7805 1 17 . 1 1 65 65 LEU HA H 65 4.212 4.212 4.225 -0.013 19155 7806 1 17 . 1 1 65 65 LEU C C 65 179.685 179.685 179.566 0.119 19155 7807 1 17 . 1 1 65 65 LEU CA C 65 58.004 58.004 57.904 0.100 19155 7808 1 17 . 1 1 65 65 LEU CB C 65 42.553 42.553 40.204 2.349 19155 7809 1 17 . 1 1 65 65 LEU H H 65 8.361 8.361 7.696 0.665 19155 7810 1 17 . 1 1 66 66 MET N N 66 118.685 118.685 117.542 1.143 19155 7811 1 17 . 1 1 66 66 MET HA H 66 3.918 3.918 4.025 -0.107 19155 7812 1 17 . 1 1 66 66 MET C C 66 178.906 178.906 178.757 0.149 19155 7813 1 17 . 1 1 66 66 MET CA C 66 59.467 59.467 59.642 -0.175 19155 7814 1 17 . 1 1 66 66 MET CB C 66 33.519 33.519 32.271 1.248 19155 7815 1 17 . 1 1 66 66 MET H H 66 8.458 8.458 7.487 0.971 19155 7816 1 17 . 1 1 67 67 MET N N 67 118.685 118.685 118.220 0.465 19155 7817 1 17 . 1 1 67 67 MET HA H 67 4.098 4.098 4.013 0.085 19155 7818 1 17 . 1 1 67 67 MET C C 67 178.781 178.781 178.493 0.288 19155 7819 1 17 . 1 1 67 67 MET CA C 67 58.379 58.379 58.919 -0.540 19155 7820 1 17 . 1 1 67 67 MET CB C 67 32.031 32.031 32.162 -0.131 19155 7821 1 17 . 1 1 67 67 MET H H 67 7.559 7.559 7.690 -0.131 19155 7822 1 17 . 1 1 68 68 GLU N N 68 122.128 122.128 120.643 1.485 19155 7823 1 17 . 1 1 68 68 GLU HA H 68 3.990 3.990 3.903 0.087 19155 7824 1 17 . 1 1 68 68 GLU C C 68 178.803 178.803 178.745 0.058 19155 7825 1 17 . 1 1 68 68 GLU CA C 68 59.459 59.459 59.817 -0.358 19155 7826 1 17 . 1 1 68 68 GLU CB C 68 30.706 30.706 29.464 1.242 19155 7827 1 17 . 1 1 68 68 GLU H H 68 8.895 8.895 8.580 0.315 19155 7828 1 17 . 1 1 69 69 SER N N 69 114.769 114.769 114.558 0.211 19155 7829 1 17 . 1 1 69 69 SER HA H 69 2.872 2.872 3.401 -0.529 19155 7830 1 17 . 1 1 69 69 SER C C 69 175.801 175.801 176.170 -0.369 19155 7831 1 17 . 1 1 69 69 SER CA C 69 62.000 62.000 61.493 0.507 19155 7832 1 17 . 1 1 69 69 SER CB C 69 62.282 62.282 62.607 -0.325 19155 7833 1 17 . 1 1 69 69 SER H H 69 8.161 8.161 7.878 0.283 19155 7834 1 17 . 1 1 70 70 ARG N N 70 120.552 120.552 120.475 0.077 19155 7835 1 17 . 1 1 70 70 ARG HA H 70 3.744 3.744 3.490 0.254 19155 7836 1 17 . 1 1 70 70 ARG C C 70 177.654 177.654 178.433 -0.779 19155 7837 1 17 . 1 1 70 70 ARG CA C 70 59.793 59.793 59.517 0.276 19155 7838 1 17 . 1 1 70 70 ARG CB C 70 29.974 29.974 29.687 0.287 19155 7839 1 17 . 1 1 70 70 ARG H H 70 6.945 6.945 7.968 -1.023 19155 7840 1 17 . 1 1 71 71 SER N N 71 113.064 113.064 115.636 -2.572 19155 7841 1 17 . 1 1 71 71 SER HA H 71 4.275 4.275 4.130 0.145 19155 7842 1 17 . 1 1 71 71 SER C C 71 177.491 177.491 176.321 1.170 19155 7843 1 17 . 1 1 71 71 SER CA C 71 61.571 61.571 62.256 -0.685 19155 7844 1 17 . 1 1 71 71 SER CB C 71 62.710 62.710 62.779 -0.069 19155 7845 1 17 . 1 1 71 71 SER H H 71 7.721 7.721 8.091 -0.370 19155 7846 1 17 . 1 1 72 72 LYS N N 72 121.657 121.657 122.034 -0.377 19155 7847 1 17 . 1 1 72 72 LYS HA H 72 4.170 4.170 4.060 0.110 19155 7848 1 17 . 1 1 72 72 LYS C C 72 180.429 180.429 179.085 1.344 19155 7849 1 17 . 1 1 72 72 LYS CA C 72 58.725 58.725 59.351 -0.626 19155 7850 1 17 . 1 1 72 72 LYS CB C 72 32.131 32.131 32.410 -0.279 19155 7851 1 17 . 1 1 72 72 LYS H H 72 8.414 8.414 7.907 0.507 19155 7852 1 17 . 1 1 73 73 VAL N N 73 123.222 123.222 120.180 3.042 19155 7853 1 17 . 1 1 73 73 VAL HA H 73 3.598 3.598 3.636 -0.038 19155 7854 1 17 . 1 1 73 73 VAL C C 73 176.929 176.929 177.637 -0.708 19155 7855 1 17 . 1 1 73 73 VAL CA C 73 66.975 66.975 67.636 -0.661 19155 7856 1 17 . 1 1 73 73 VAL CB C 73 31.704 31.704 31.863 -0.159 19155 7857 1 17 . 1 1 73 73 VAL H H 73 8.421 8.421 8.473 -0.052 19155 7858 1 17 . 1 1 74 74 ASP N N 74 120.101 120.101 119.499 0.602 19155 7859 1 17 . 1 1 74 74 ASP HA H 74 4.393 4.393 4.455 -0.062 19155 7860 1 17 . 1 1 74 74 ASP C C 74 180.001 180.001 178.225 1.776 19155 7861 1 17 . 1 1 74 74 ASP CA C 74 57.324 57.324 57.358 -0.035 19155 7862 1 17 . 1 1 74 74 ASP CB C 74 39.326 39.326 41.133 -1.807 19155 7863 1 17 . 1 1 74 74 ASP H H 74 8.674 8.674 7.910 0.764 19155 7864 1 17 . 1 1 75 75 GLU N N 75 121.349 121.349 120.275 1.074 19155 7865 1 17 . 1 1 75 75 GLU HA H 75 4.113 4.113 4.030 0.083 19155 7866 1 17 . 1 1 75 75 GLU C C 75 178.732 178.732 178.562 0.170 19155 7867 1 17 . 1 1 75 75 GLU CA C 75 59.083 59.083 59.307 -0.224 19155 7868 1 17 . 1 1 75 75 GLU CB C 75 29.975 29.975 29.749 0.226 19155 7869 1 17 . 1 1 75 75 GLU H H 75 8.475 8.475 8.352 0.123 19155 7870 1 17 . 1 1 76 76 ALA N N 76 124.160 124.160 122.302 1.858 19155 7871 1 17 . 1 1 76 76 ALA HA H 76 4.281 4.281 4.104 0.177 19155 7872 1 17 . 1 1 76 76 ALA C C 76 179.906 179.906 179.754 0.152 19155 7873 1 17 . 1 1 76 76 ALA CA C 76 55.530 55.530 55.203 0.327 19155 7874 1 17 . 1 1 76 76 ALA CB C 76 17.424 17.424 18.553 -1.129 19155 7875 1 17 . 1 1 76 76 ALA H H 76 7.944 7.944 8.104 -0.160 19155 7876 1 17 . 1 1 77 77 VAL N N 77 117.439 117.439 119.322 -1.883 19155 7877 1 17 . 1 1 77 77 VAL HA H 77 3.644 3.644 3.642 0.002 19155 7878 1 17 . 1 1 77 77 VAL C C 77 178.784 178.784 178.024 0.760 19155 7879 1 17 . 1 1 77 77 VAL CA C 77 66.958 66.958 67.221 -0.263 19155 7880 1 17 . 1 1 77 77 VAL CB C 77 31.807 31.807 31.363 0.444 19155 7881 1 17 . 1 1 77 77 VAL H H 77 8.204 8.204 7.655 0.549 19155 7882 1 17 . 1 1 78 78 SER N N 78 113.687 113.687 114.046 -0.359 19155 7883 1 17 . 1 1 78 78 SER HA H 78 4.266 4.266 4.275 -0.009 19155 7884 1 17 . 1 1 78 78 SER C C 78 176.762 176.762 175.883 0.879 19155 7885 1 17 . 1 1 78 78 SER CA C 78 61.241 61.241 61.226 0.015 19155 7886 1 17 . 1 1 78 78 SER CB C 78 62.678 62.678 62.944 -0.266 19155 7887 1 17 . 1 1 78 78 SER H H 78 7.935 7.935 7.891 0.044 19155 7888 1 17 . 1 1 79 79 LYS N N 79 121.029 121.029 122.246 -1.217 19155 7889 1 17 . 1 1 79 79 LYS HA H 79 4.070 4.070 4.040 0.030 19155 7890 1 17 . 1 1 79 79 LYS C C 79 178.135 178.135 178.801 -0.666 19155 7891 1 17 . 1 1 79 79 LYS CA C 79 58.723 58.723 59.292 -0.569 19155 7892 1 17 . 1 1 79 79 LYS CB C 79 32.489 32.489 32.462 0.027 19155 7893 1 17 . 1 1 79 79 LYS H H 79 7.989 7.989 8.028 -0.039 19155 7894 1 17 . 1 1 80 80 PHE N N 80 117.437 117.437 118.013 -0.576 19155 7895 1 17 . 1 1 80 80 PHE HA H 80 4.490 4.490 4.273 0.217 19155 7896 1 17 . 1 1 80 80 PHE C C 80 176.236 176.236 177.611 -1.375 19155 7897 1 17 . 1 1 80 80 PHE CA C 80 59.444 59.444 60.591 -1.147 19155 7898 1 17 . 1 1 80 80 PHE CB C 80 40.032 40.032 39.351 0.681 19155 7899 1 17 . 1 1 80 80 PHE H H 80 7.838 7.838 8.186 -0.348 19155 7900 1 17 . 1 1 81 81 GLU N N 81 120.092 120.092 117.228 2.864 19155 7901 1 17 . 1 1 81 81 GLU HA H 81 4.290 4.290 4.227 0.063 19155 7902 1 17 . 1 1 81 81 GLU C C 81 175.715 175.715 176.828 -1.113 19155 7903 1 17 . 1 1 81 81 GLU CA C 81 56.928 56.928 56.838 0.090 19155 7904 1 17 . 1 1 81 81 GLU CB C 81 29.997 29.997 29.225 0.772 19155 7905 1 17 . 1 1 81 81 GLU H H 81 7.864 7.864 8.702 -0.838 19155 7906 1 18 . 1 1 2 2 ASP N N 2 119.961 119.961 120.290 -0.329 19155 7907 1 18 . 1 1 2 2 ASP HA H 2 4.440 4.440 4.127 0.313 19155 7908 1 18 . 1 1 2 2 ASP C C 2 178.594 178.594 177.778 0.816 19155 7909 1 18 . 1 1 2 2 ASP CA C 2 57.997 57.997 57.532 0.465 19155 7910 1 18 . 1 1 2 2 ASP CB C 2 40.098 40.098 39.754 0.344 19155 7911 1 18 . 1 1 2 2 ASP H H 2 8.260 8.260 8.749 -0.489 19155 7912 1 18 . 1 1 3 3 SER N N 3 115.401 115.401 115.375 0.026 19155 7913 1 18 . 1 1 3 3 SER HA H 3 4.358 4.358 4.037 0.321 19155 7914 1 18 . 1 1 3 3 SER C C 3 177.657 177.657 176.724 0.933 19155 7915 1 18 . 1 1 3 3 SER CA C 3 60.656 60.656 61.049 -0.393 19155 7916 1 18 . 1 1 3 3 SER CB C 3 62.319 62.319 62.657 -0.338 19155 7917 1 18 . 1 1 3 3 SER H H 3 8.112 8.112 8.230 -0.118 19155 7918 1 18 . 1 1 4 4 GLU N N 4 122.287 122.287 122.380 -0.093 19155 7919 1 18 . 1 1 4 4 GLU HA H 4 4.045 4.045 4.058 -0.013 19155 7920 1 18 . 1 1 4 4 GLU C C 4 180.035 180.035 178.647 1.388 19155 7921 1 18 . 1 1 4 4 GLU CA C 4 59.072 59.072 59.062 0.010 19155 7922 1 18 . 1 1 4 4 GLU CB C 4 28.538 28.538 29.475 -0.937 19155 7923 1 18 . 1 1 4 4 GLU H H 4 8.472 8.472 7.735 0.737 19155 7924 1 18 . 1 1 5 5 ARG N N 5 121.026 121.026 117.728 3.298 19155 7925 1 18 . 1 1 5 5 ARG HA H 5 3.894 3.894 4.176 -0.282 19155 7926 1 18 . 1 1 5 5 ARG C C 5 178.298 178.298 178.517 -0.219 19155 7927 1 18 . 1 1 5 5 ARG CA C 5 60.564 60.564 58.721 1.843 19155 7928 1 18 . 1 1 5 5 ARG CB C 5 30.681 30.681 29.679 1.002 19155 7929 1 18 . 1 1 5 5 ARG H H 5 8.771 8.771 8.165 0.606 19155 7930 1 18 . 1 1 6 6 ASP N N 6 119.775 119.775 121.562 -1.787 19155 7931 1 18 . 1 1 6 6 ASP HA H 6 4.455 4.455 4.540 -0.085 19155 7932 1 18 . 1 1 6 6 ASP C C 6 178.676 178.676 177.717 0.959 19155 7933 1 18 . 1 1 6 6 ASP CA C 6 57.956 57.956 57.228 0.728 19155 7934 1 18 . 1 1 6 6 ASP CB C 6 40.774 40.774 41.197 -0.423 19155 7935 1 18 . 1 1 6 6 ASP H H 6 7.889 7.889 8.138 -0.249 19155 7936 1 18 . 1 1 7 7 LYS N N 7 119.937 119.937 119.623 0.314 19155 7937 1 18 . 1 1 7 7 LYS HA H 7 4.014 4.014 4.057 -0.043 19155 7938 1 18 . 1 1 7 7 LYS C C 7 178.977 178.977 178.687 0.290 19155 7939 1 18 . 1 1 7 7 LYS CA C 7 59.793 59.793 59.290 0.503 19155 7940 1 18 . 1 1 7 7 LYS CB C 7 32.850 32.850 32.215 0.635 19155 7941 1 18 . 1 1 7 7 LYS H H 7 7.950 7.950 7.788 0.162 19155 7942 1 18 . 1 1 8 8 ALA N N 8 122.436 122.436 122.198 0.238 19155 7943 1 18 . 1 1 8 8 ALA HA H 8 4.478 4.478 4.126 0.352 19155 7944 1 18 . 1 1 8 8 ALA C C 8 178.764 178.764 179.167 -0.403 19155 7945 1 18 . 1 1 8 8 ALA CA C 8 55.168 55.168 55.062 0.106 19155 7946 1 18 . 1 1 8 8 ALA CB C 8 19.502 19.502 18.556 0.946 19155 7947 1 18 . 1 1 8 8 ALA H H 8 7.976 7.976 8.388 -0.412 19155 7948 1 18 . 1 1 9 9 ARG N N 9 118.059 118.059 117.225 0.834 19155 7949 1 18 . 1 1 9 9 ARG HA H 9 3.801 3.801 4.023 -0.222 19155 7950 1 18 . 1 1 9 9 ARG C C 9 177.874 177.874 178.242 -0.368 19155 7951 1 18 . 1 1 9 9 ARG CA C 9 59.794 59.794 58.958 0.836 19155 7952 1 18 . 1 1 9 9 ARG CB C 9 29.989 29.989 29.673 0.316 19155 7953 1 18 . 1 1 9 9 ARG H H 9 8.489 8.489 7.626 0.863 19155 7954 1 18 . 1 1 10 10 LYS N N 10 118.064 118.064 120.384 -2.320 19155 7955 1 18 . 1 1 10 10 LYS HA H 10 4.138 4.138 4.115 0.023 19155 7956 1 18 . 1 1 10 10 LYS C C 10 178.619 178.619 178.727 -0.108 19155 7957 1 18 . 1 1 10 10 LYS CA C 10 59.421 59.421 58.794 0.627 19155 7958 1 18 . 1 1 10 10 LYS CB C 10 32.467 32.467 31.979 0.488 19155 7959 1 18 . 1 1 10 10 LYS H H 10 7.833 7.833 7.540 0.293 19155 7960 1 18 . 1 1 11 11 GLU N N 11 118.845 118.845 119.598 -0.753 19155 7961 1 18 . 1 1 11 11 GLU HA H 11 4.107 4.107 4.100 0.007 19155 7962 1 18 . 1 1 11 11 GLU C C 11 180.137 180.137 179.106 1.031 19155 7963 1 18 . 1 1 11 11 GLU CA C 11 59.803 59.803 59.740 0.062 19155 7964 1 18 . 1 1 11 11 GLU CB C 11 29.248 29.248 29.445 -0.197 19155 7965 1 18 . 1 1 11 11 GLU H H 11 7.991 7.991 8.298 -0.307 19155 7966 1 18 . 1 1 12 12 VAL N N 12 120.562 120.562 115.906 4.656 19155 7967 1 18 . 1 1 12 12 VAL HA H 12 3.851 3.851 3.984 -0.133 19155 7968 1 18 . 1 1 12 12 VAL C C 12 178.182 178.182 177.862 0.320 19155 7969 1 18 . 1 1 12 12 VAL CA C 12 66.625 66.625 65.677 0.948 19155 7970 1 18 . 1 1 12 12 VAL CB C 12 31.784 31.784 31.603 0.181 19155 7971 1 18 . 1 1 12 12 VAL H H 12 8.173 8.173 8.063 0.110 19155 7972 1 18 . 1 1 13 13 GLU N N 13 117.912 117.912 121.801 -3.889 19155 7973 1 18 . 1 1 13 13 GLU HA H 13 3.841 3.841 3.914 -0.073 19155 7974 1 18 . 1 1 13 13 GLU C C 13 179.959 179.959 178.953 1.006 19155 7975 1 18 . 1 1 13 13 GLU CA C 13 60.498 60.498 60.317 0.181 19155 7976 1 18 . 1 1 13 13 GLU CB C 13 30.014 30.014 29.560 0.454 19155 7977 1 18 . 1 1 13 13 GLU H H 13 8.624 8.624 8.062 0.562 19155 7978 1 18 . 1 1 14 14 GLU N N 14 117.909 117.909 118.908 -0.999 19155 7979 1 18 . 1 1 14 14 GLU HA H 14 4.025 4.025 4.046 -0.021 19155 7980 1 18 . 1 1 14 14 GLU C C 14 179.020 179.020 178.849 0.171 19155 7981 1 18 . 1 1 14 14 GLU CA C 14 59.442 59.442 59.021 0.421 19155 7982 1 18 . 1 1 14 14 GLU CB C 14 29.257 29.257 29.248 0.009 19155 7983 1 18 . 1 1 14 14 GLU H H 14 8.904 8.904 8.473 0.431 19155 7984 1 18 . 1 1 15 15 TYR N N 15 122.592 122.592 121.315 1.277 19155 7985 1 18 . 1 1 15 15 TYR HA H 15 4.359 4.359 4.139 0.220 19155 7986 1 18 . 1 1 15 15 TYR C C 15 177.581 177.581 177.744 -0.163 19155 7987 1 18 . 1 1 15 15 TYR CA C 15 62.430 62.430 62.121 0.309 19155 7988 1 18 . 1 1 15 15 TYR CB C 15 38.541 38.541 38.672 -0.131 19155 7989 1 18 . 1 1 15 15 TYR H H 15 8.170 8.170 8.330 -0.160 19155 7990 1 18 . 1 1 16 16 VAL N N 16 116.497 116.497 119.000 -2.503 19155 7991 1 18 . 1 1 16 16 VAL HA H 16 3.386 3.386 3.515 -0.129 19155 7992 1 18 . 1 1 16 16 VAL C C 16 177.221 177.221 177.590 -0.369 19155 7993 1 18 . 1 1 16 16 VAL CA C 16 68.053 68.053 66.856 1.197 19155 7994 1 18 . 1 1 16 16 VAL CB C 16 31.427 31.427 31.568 -0.141 19155 7995 1 18 . 1 1 16 16 VAL H H 16 7.953 7.953 7.836 0.117 19155 7996 1 18 . 1 1 17 17 LYS N N 17 118.530 118.530 118.940 -0.410 19155 7997 1 18 . 1 1 17 17 LYS HA H 17 3.922 3.922 3.964 -0.042 19155 7998 1 18 . 1 1 17 17 LYS C C 17 179.742 179.742 178.597 1.145 19155 7999 1 18 . 1 1 17 17 LYS CA C 17 60.145 60.145 59.496 0.649 19155 8000 1 18 . 1 1 17 17 LYS CB C 17 32.827 32.827 31.811 1.016 19155 8001 1 18 . 1 1 17 17 LYS H H 17 8.274 8.274 7.727 0.547 19155 8002 1 18 . 1 1 18 18 LYS N N 18 121.031 121.031 121.273 -0.242 19155 8003 1 18 . 1 1 18 18 LYS HA H 18 4.018 4.018 4.014 0.004 19155 8004 1 18 . 1 1 18 18 LYS C C 18 178.962 178.962 178.884 0.078 19155 8005 1 18 . 1 1 18 18 LYS CA C 18 59.085 59.085 59.409 -0.324 19155 8006 1 18 . 1 1 18 18 LYS CB C 18 32.132 32.132 32.474 -0.342 19155 8007 1 18 . 1 1 18 18 LYS H H 18 7.946 7.946 8.189 -0.243 19155 8008 1 18 . 1 1 19 19 ILE N N 19 120.718 120.718 119.336 1.382 19155 8009 1 18 . 1 1 19 19 ILE HA H 19 3.727 3.727 3.828 -0.101 19155 8010 1 18 . 1 1 19 19 ILE C C 19 172.120 172.120 178.272 -6.152 19155 8011 1 18 . 1 1 19 19 ILE CA C 19 62.128 62.128 63.450 -1.322 19155 8012 1 18 . 1 1 19 19 ILE CB C 19 35.988 35.988 37.100 -1.112 19155 8013 1 18 . 1 1 19 19 ILE H H 19 7.796 7.796 7.807 -0.011 19155 8014 1 18 . 1 1 20 20 VAL N N 20 124.792 124.792 121.692 3.100 19155 8015 1 18 . 1 1 20 20 VAL HA H 20 3.312 3.312 3.781 -0.469 19155 8016 1 18 . 1 1 20 20 VAL C C 20 177.873 177.873 178.903 -1.030 19155 8017 1 18 . 1 1 20 20 VAL CA C 20 67.738 67.738 66.891 0.847 19155 8018 1 18 . 1 1 20 20 VAL CB C 20 31.772 31.772 31.099 0.673 19155 8019 1 18 . 1 1 20 20 VAL H H 20 9.190 9.190 8.536 0.654 19155 8020 1 18 . 1 1 21 21 GLY N N 21 106.034 106.034 107.632 -1.598 19155 8021 1 18 . 1 1 21 21 GLY C C 21 177.470 177.470 176.045 1.425 19155 8022 1 18 . 1 1 21 21 GLY CA C 21 47.226 47.226 47.349 -0.123 19155 8023 1 18 . 1 1 21 21 GLY H H 21 8.117 8.117 8.514 -0.397 19155 8024 1 18 . 1 1 22 22 GLU N N 22 122.282 122.282 121.669 0.613 19155 8025 1 18 . 1 1 22 22 GLU HA H 22 4.104 4.104 4.048 0.056 19155 8026 1 18 . 1 1 22 22 GLU C C 22 178.827 178.827 179.300 -0.473 19155 8027 1 18 . 1 1 22 22 GLU CA C 22 59.016 59.016 59.301 -0.285 19155 8028 1 18 . 1 1 22 22 GLU CB C 22 29.619 29.619 29.218 0.400 19155 8029 1 18 . 1 1 22 22 GLU H H 22 8.197 8.197 8.259 -0.062 19155 8030 1 18 . 1 1 23 23 SER N N 23 116.812 116.812 116.373 0.439 19155 8031 1 18 . 1 1 23 23 SER HA H 23 4.201 4.201 4.239 -0.038 19155 8032 1 18 . 1 1 23 23 SER C C 23 177.084 177.084 176.568 0.516 19155 8033 1 18 . 1 1 23 23 SER CA C 23 61.998 61.998 62.100 -0.102 19155 8034 1 18 . 1 1 23 23 SER CB C 23 62.105 62.105 62.685 -0.580 19155 8035 1 18 . 1 1 23 23 SER H H 23 8.285 8.285 8.498 -0.213 19155 8036 1 18 . 1 1 24 24 TYR N N 24 120.879 120.879 121.591 -0.712 19155 8037 1 18 . 1 1 24 24 TYR HA H 24 4.396 4.396 4.351 0.045 19155 8038 1 18 . 1 1 24 24 TYR C C 24 178.846 178.846 176.942 1.904 19155 8039 1 18 . 1 1 24 24 TYR CA C 24 61.189 61.189 60.990 0.199 19155 8040 1 18 . 1 1 24 24 TYR CB C 24 37.866 37.866 37.940 -0.074 19155 8041 1 18 . 1 1 24 24 TYR H H 24 8.254 8.254 7.782 0.472 19155 8042 1 18 . 1 1 25 25 ALA N N 25 122.124 122.124 120.388 1.736 19155 8043 1 18 . 1 1 25 25 ALA HA H 25 4.251 4.251 4.149 0.102 19155 8044 1 18 . 1 1 25 25 ALA C C 25 178.999 178.999 179.016 -0.017 19155 8045 1 18 . 1 1 25 25 ALA CA C 25 54.608 54.608 54.086 0.522 19155 8046 1 18 . 1 1 25 25 ALA CB C 25 18.108 18.108 18.901 -0.793 19155 8047 1 18 . 1 1 25 25 ALA H H 25 8.018 8.018 7.885 0.133 19155 8048 1 18 . 1 1 26 26 LYS N N 26 115.251 115.251 117.315 -2.064 19155 8049 1 18 . 1 1 26 26 LYS HA H 26 4.459 4.459 4.217 0.242 19155 8050 1 18 . 1 1 26 26 LYS C C 26 176.598 176.598 177.339 -0.741 19155 8051 1 18 . 1 1 26 26 LYS CA C 26 56.209 56.209 57.775 -1.566 19155 8052 1 18 . 1 1 26 26 LYS CB C 26 33.191 33.191 33.036 0.155 19155 8053 1 18 . 1 1 26 26 LYS H H 26 7.533 7.533 8.468 -0.935 19155 8054 1 18 . 1 1 27 27 SER N N 27 115.400 115.400 114.467 0.933 19155 8055 1 18 . 1 1 27 27 SER HA H 27 4.332 4.332 4.441 -0.109 19155 8056 1 18 . 1 1 27 27 SER C C 27 174.768 174.768 173.382 1.386 19155 8057 1 18 . 1 1 27 27 SER CA C 27 58.808 58.808 59.329 -0.521 19155 8058 1 18 . 1 1 27 27 SER CB C 27 63.397 63.397 63.921 -0.524 19155 8059 1 18 . 1 1 27 27 SER H H 27 7.570 7.570 7.733 -0.163 19155 8060 1 18 . 1 1 28 28 THR N N 28 114.468 114.468 112.320 2.148 19155 8061 1 18 . 1 1 28 28 THR HA H 28 4.649 4.649 4.644 0.005 19155 8062 1 18 . 1 1 28 28 THR CA C 28 60.242 60.242 60.173 0.069 19155 8063 1 18 . 1 1 28 28 THR CB C 28 71.544 71.544 70.980 0.564 19155 8064 1 18 . 1 1 28 28 THR H H 28 7.725 7.725 7.828 -0.103 19155 8065 1 18 . 1 1 29 29 LYS HA H 29 4.300 4.300 3.931 0.369 19155 8066 1 18 . 1 1 29 29 LYS CA C 29 57.974 57.974 60.140 -2.166 19155 8067 1 18 . 1 1 29 29 LYS CB C 29 32.820 32.820 32.233 0.587 19155 8068 1 18 . 1 1 30 30 LYS HA H 30 4.154 4.154 4.100 0.054 19155 8069 1 18 . 1 1 30 30 LYS CA C 30 58.725 58.725 58.224 0.501 19155 8070 1 18 . 1 1 31 31 ARG HA H 31 4.533 4.533 4.541 -0.008 19155 8071 1 18 . 1 1 31 31 ARG CA C 31 56.137 56.137 54.206 1.931 19155 8072 1 18 . 1 1 31 31 ARG CB C 31 31.003 31.003 28.982 2.022 19155 8073 1 18 . 1 1 32 32 HIS HA H 32 4.570 4.570 4.219 0.351 19155 8074 1 18 . 1 1 32 32 HIS C C 32 176.136 176.136 176.382 -0.246 19155 8075 1 18 . 1 1 32 32 HIS CA C 32 58.689 58.689 58.702 -0.013 19155 8076 1 18 . 1 1 32 32 HIS CB C 32 30.731 30.731 29.078 1.653 19155 8077 1 18 . 1 1 33 33 THR N N 33 111.162 111.162 114.736 -3.574 19155 8078 1 18 . 1 1 33 33 THR HA H 33 3.976 3.976 3.737 0.239 19155 8079 1 18 . 1 1 33 33 THR C C 33 176.807 176.807 175.329 1.478 19155 8080 1 18 . 1 1 33 33 THR CA C 33 65.194 65.194 64.431 0.763 19155 8081 1 18 . 1 1 33 33 THR CB C 33 68.428 68.428 68.361 0.068 19155 8082 1 18 . 1 1 33 33 THR H H 33 8.355 8.355 7.942 0.413 19155 8083 1 18 . 1 1 34 34 ILE N N 34 123.220 123.220 120.106 3.114 19155 8084 1 18 . 1 1 34 34 ILE HA H 34 4.047 4.047 4.333 -0.286 19155 8085 1 18 . 1 1 34 34 ILE C C 34 176.944 176.944 177.547 -0.603 19155 8086 1 18 . 1 1 34 34 ILE CA C 34 63.746 63.746 61.473 2.273 19155 8087 1 18 . 1 1 34 34 ILE CB C 34 37.905 37.905 38.376 -0.471 19155 8088 1 18 . 1 1 34 34 ILE H H 34 7.824 7.824 7.937 -0.113 19155 8089 1 18 . 1 1 35 35 THR N N 35 118.694 118.694 116.826 1.868 19155 8090 1 18 . 1 1 35 35 THR HA H 35 4.103 4.103 3.857 0.246 19155 8091 1 18 . 1 1 35 35 THR C C 35 175.385 175.385 176.474 -1.089 19155 8092 1 18 . 1 1 35 35 THR CA C 35 63.339 63.339 66.450 -3.111 19155 8093 1 18 . 1 1 35 35 THR CB C 35 68.428 68.428 68.076 0.352 19155 8094 1 18 . 1 1 35 35 THR H H 35 8.053 8.053 7.771 0.282 19155 8095 1 18 . 1 1 36 36 VAL N N 36 120.252 120.252 122.552 -2.300 19155 8096 1 18 . 1 1 36 36 VAL HA H 36 3.494 3.494 3.731 -0.237 19155 8097 1 18 . 1 1 36 36 VAL C C 36 177.667 177.667 177.236 0.431 19155 8098 1 18 . 1 1 36 36 VAL CA C 36 66.312 66.312 65.664 0.648 19155 8099 1 18 . 1 1 36 36 VAL CB C 36 31.787 31.787 30.798 0.989 19155 8100 1 18 . 1 1 36 36 VAL H H 36 8.148 8.148 8.099 0.049 19155 8101 1 18 . 1 1 37 37 ALA N N 37 121.815 121.815 122.344 -0.529 19155 8102 1 18 . 1 1 37 37 ALA HA H 37 4.168 4.168 3.983 0.185 19155 8103 1 18 . 1 1 37 37 ALA C C 37 180.404 180.404 179.168 1.236 19155 8104 1 18 . 1 1 37 37 ALA CA C 37 55.062 55.062 54.838 0.224 19155 8105 1 18 . 1 1 37 37 ALA CB C 37 18.114 18.114 18.044 0.070 19155 8106 1 18 . 1 1 37 37 ALA H H 37 7.526 7.526 7.132 0.394 19155 8107 1 18 . 1 1 38 38 LEU N N 38 122.124 122.124 119.384 2.740 19155 8108 1 18 . 1 1 38 38 LEU HA H 38 3.574 3.574 3.510 0.064 19155 8109 1 18 . 1 1 38 38 LEU C C 38 177.815 177.815 178.625 -0.810 19155 8110 1 18 . 1 1 38 38 LEU CA C 38 57.671 57.671 57.100 0.571 19155 8111 1 18 . 1 1 38 38 LEU CB C 38 40.383 40.383 41.616 -1.233 19155 8112 1 18 . 1 1 38 38 LEU H H 38 7.987 7.987 7.632 0.355 19155 8113 1 18 . 1 1 39 39 VAL N N 39 119.627 119.627 120.224 -0.597 19155 8114 1 18 . 1 1 39 39 VAL HA H 39 3.295 3.295 3.524 -0.229 19155 8115 1 18 . 1 1 39 39 VAL C C 39 178.084 178.084 177.679 0.405 19155 8116 1 18 . 1 1 39 39 VAL CA C 39 67.710 67.710 67.628 0.082 19155 8117 1 18 . 1 1 39 39 VAL CB C 39 31.393 31.393 31.481 -0.088 19155 8118 1 18 . 1 1 39 39 VAL H H 39 8.410 8.410 8.785 -0.375 19155 8119 1 18 . 1 1 40 40 ASN N N 40 117.904 117.904 117.164 0.740 19155 8120 1 18 . 1 1 40 40 ASN HA H 40 4.528 4.528 4.479 0.049 19155 8121 1 18 . 1 1 40 40 ASN C C 40 177.814 177.814 178.138 -0.324 19155 8122 1 18 . 1 1 40 40 ASN CA C 40 56.214 56.214 55.598 0.616 19155 8123 1 18 . 1 1 40 40 ASN CB C 40 37.990 37.990 38.055 -0.065 19155 8124 1 18 . 1 1 40 40 ASN H H 40 8.211 8.211 7.773 0.438 19155 8125 1 18 . 1 1 41 41 GLU N N 41 122.117 122.117 121.931 0.186 19155 8126 1 18 . 1 1 41 41 GLU HA H 41 4.330 4.330 4.238 0.092 19155 8127 1 18 . 1 1 41 41 GLU C C 41 179.186 179.186 178.570 0.616 19155 8128 1 18 . 1 1 41 41 GLU CA C 41 59.444 59.444 58.742 0.702 19155 8129 1 18 . 1 1 41 41 GLU CB C 41 28.935 28.935 29.588 -0.653 19155 8130 1 18 . 1 1 41 41 GLU H H 41 7.895 7.895 8.027 -0.132 19155 8131 1 18 . 1 1 42 42 LEU N N 42 118.997 118.997 119.701 -0.704 19155 8132 1 18 . 1 1 42 42 LEU HA H 42 4.036 4.036 3.865 0.171 19155 8133 1 18 . 1 1 42 42 LEU C C 42 179.072 179.072 178.851 0.221 19155 8134 1 18 . 1 1 42 42 LEU CA C 42 58.028 58.028 58.415 -0.387 19155 8135 1 18 . 1 1 42 42 LEU CB C 42 41.053 41.053 41.608 -0.554 19155 8136 1 18 . 1 1 42 42 LEU H H 42 8.915 8.915 8.590 0.325 19155 8137 1 18 . 1 1 43 43 ASN N N 43 117.439 117.439 117.409 0.030 19155 8138 1 18 . 1 1 43 43 ASN HA H 43 4.560 4.560 4.422 0.138 19155 8139 1 18 . 1 1 43 43 ASN C C 43 177.692 177.692 177.274 0.418 19155 8140 1 18 . 1 1 43 43 ASN CA C 43 56.224 56.224 56.604 -0.380 19155 8141 1 18 . 1 1 43 43 ASN CB C 43 38.241 38.241 37.997 0.244 19155 8142 1 18 . 1 1 43 43 ASN H H 43 8.436 8.436 8.407 0.029 19155 8143 1 18 . 1 1 44 44 ASN N N 44 121.188 121.188 119.987 1.201 19155 8144 1 18 . 1 1 44 44 ASN HA H 44 4.647 4.647 4.570 0.077 19155 8145 1 18 . 1 1 44 44 ASN C C 44 178.704 178.704 177.496 1.208 19155 8146 1 18 . 1 1 44 44 ASN CA C 44 56.233 56.233 55.992 0.241 19155 8147 1 18 . 1 1 44 44 ASN CB C 44 37.466 37.466 38.471 -1.004 19155 8148 1 18 . 1 1 44 44 ASN H H 44 8.079 8.079 7.581 0.498 19155 8149 1 18 . 1 1 45 45 ILE N N 45 124.315 124.315 120.747 3.568 19155 8150 1 18 . 1 1 45 45 ILE HA H 45 3.985 3.985 3.698 0.287 19155 8151 1 18 . 1 1 45 45 ILE C C 45 177.925 177.925 177.874 0.051 19155 8152 1 18 . 1 1 45 45 ILE CA C 45 65.578 65.578 65.374 0.204 19155 8153 1 18 . 1 1 45 45 ILE CB C 45 38.903 38.903 37.551 1.352 19155 8154 1 18 . 1 1 45 45 ILE H H 45 8.533 8.533 8.576 -0.043 19155 8155 1 18 . 1 1 46 46 LYS N N 46 119.624 119.624 120.914 -1.290 19155 8156 1 18 . 1 1 46 46 LYS HA H 46 3.743 3.743 3.911 -0.168 19155 8157 1 18 . 1 1 46 46 LYS C C 46 177.699 177.699 178.786 -1.087 19155 8158 1 18 . 1 1 46 46 LYS CA C 46 60.161 60.161 60.651 -0.490 19155 8159 1 18 . 1 1 46 46 LYS CB C 46 31.420 31.420 32.312 -0.892 19155 8160 1 18 . 1 1 46 46 LYS H H 46 8.660 8.660 8.229 0.431 19155 8161 1 18 . 1 1 47 47 ASN N N 47 116.034 116.034 117.755 -1.721 19155 8162 1 18 . 1 1 47 47 ASN HA H 47 4.468 4.468 4.450 0.018 19155 8163 1 18 . 1 1 47 47 ASN C C 47 177.768 177.768 177.480 0.288 19155 8164 1 18 . 1 1 47 47 ASN CA C 47 56.538 56.538 56.652 -0.114 19155 8165 1 18 . 1 1 47 47 ASN CB C 47 37.882 37.882 38.424 -0.542 19155 8166 1 18 . 1 1 47 47 ASN H H 47 8.344 8.344 8.117 0.227 19155 8167 1 18 . 1 1 48 48 GLU N N 48 121.665 121.665 121.510 0.155 19155 8168 1 18 . 1 1 48 48 GLU HA H 48 4.044 4.044 3.932 0.112 19155 8169 1 18 . 1 1 48 48 GLU C C 48 179.915 179.915 178.822 1.093 19155 8170 1 18 . 1 1 48 48 GLU CA C 48 59.444 59.444 59.700 -0.256 19155 8171 1 18 . 1 1 48 48 GLU CB C 48 29.230 29.230 29.699 -0.469 19155 8172 1 18 . 1 1 48 48 GLU H H 48 8.301 8.301 8.505 -0.204 19155 8173 1 18 . 1 1 49 49 TYR N N 49 117.600 117.600 118.630 -1.030 19155 8174 1 18 . 1 1 49 49 TYR HA H 49 3.992 3.992 4.379 -0.387 19155 8175 1 18 . 1 1 49 49 TYR C C 49 178.275 178.275 178.215 0.060 19155 8176 1 18 . 1 1 49 49 TYR CA C 49 64.508 64.508 61.535 2.973 19155 8177 1 18 . 1 1 49 49 TYR CB C 49 37.881 37.881 38.918 -1.037 19155 8178 1 18 . 1 1 49 49 TYR H H 49 8.581 8.581 8.153 0.428 19155 8179 1 18 . 1 1 50 50 LEU N N 50 122.126 122.126 120.873 1.253 19155 8180 1 18 . 1 1 50 50 LEU HA H 50 4.181 4.181 3.815 0.366 19155 8181 1 18 . 1 1 50 50 LEU C C 50 180.089 180.089 178.750 1.339 19155 8182 1 18 . 1 1 50 50 LEU CA C 50 59.061 59.061 58.559 0.503 19155 8183 1 18 . 1 1 50 50 LEU CB C 50 40.096 40.096 41.542 -1.446 19155 8184 1 18 . 1 1 50 50 LEU H H 50 9.207 9.207 8.908 0.299 19155 8185 1 18 . 1 1 51 51 ASN N N 51 117.124 117.124 116.805 0.319 19155 8186 1 18 . 1 1 51 51 ASN HA H 51 4.535 4.535 4.428 0.107 19155 8187 1 18 . 1 1 51 51 ASN C C 51 177.522 177.522 177.529 -0.007 19155 8188 1 18 . 1 1 51 51 ASN CA C 51 56.240 56.240 56.124 0.116 19155 8189 1 18 . 1 1 51 51 ASN CB C 51 37.898 37.898 38.420 -0.522 19155 8190 1 18 . 1 1 51 51 ASN H H 51 7.634 7.634 8.321 -0.687 19155 8191 1 18 . 1 1 52 52 LYS N N 52 119.154 119.154 119.831 -0.677 19155 8192 1 18 . 1 1 52 52 LYS HA H 52 4.037 4.037 3.969 0.068 19155 8193 1 18 . 1 1 52 52 LYS C C 52 179.905 179.905 178.735 1.170 19155 8194 1 18 . 1 1 52 52 LYS CA C 52 59.803 59.803 59.400 0.404 19155 8195 1 18 . 1 1 52 52 LYS CB C 52 33.215 33.215 32.293 0.922 19155 8196 1 18 . 1 1 52 52 LYS H H 52 7.663 7.663 7.368 0.295 19155 8197 1 18 . 1 1 53 53 ILE N N 53 121.662 121.662 120.267 1.395 19155 8198 1 18 . 1 1 53 53 ILE HA H 53 3.532 3.532 3.717 -0.185 19155 8199 1 18 . 1 1 53 53 ILE C C 53 178.489 178.489 177.085 1.404 19155 8200 1 18 . 1 1 53 53 ILE CA C 53 65.906 65.906 65.397 0.509 19155 8201 1 18 . 1 1 53 53 ILE CB C 53 38.249 38.249 38.163 0.087 19155 8202 1 18 . 1 1 53 53 ILE H H 53 8.493 8.493 8.285 0.208 19155 8203 1 18 . 1 1 54 54 VAL N N 54 119.477 119.477 118.507 0.970 19155 8204 1 18 . 1 1 54 54 VAL HA H 54 3.647 3.647 3.742 -0.095 19155 8205 1 18 . 1 1 54 54 VAL C C 54 176.683 176.683 176.702 -0.019 19155 8206 1 18 . 1 1 54 54 VAL CA C 54 66.643 66.643 65.077 1.566 19155 8207 1 18 . 1 1 54 54 VAL CB C 54 31.448 31.448 31.365 0.083 19155 8208 1 18 . 1 1 54 54 VAL H H 54 7.598 7.598 7.650 -0.052 19155 8209 1 18 . 1 1 55 55 GLU N N 55 114.467 114.467 118.009 -3.542 19155 8210 1 18 . 1 1 55 55 GLU HA H 55 4.281 4.281 4.313 -0.032 19155 8211 1 18 . 1 1 55 55 GLU C C 55 176.914 176.914 176.887 0.027 19155 8212 1 18 . 1 1 55 55 GLU CA C 55 56.195 56.195 56.838 -0.643 19155 8213 1 18 . 1 1 55 55 GLU CB C 55 30.354 30.354 30.479 -0.125 19155 8214 1 18 . 1 1 55 55 GLU H H 55 7.064 7.064 7.454 -0.390 19155 8215 1 18 . 1 1 56 56 SER N N 56 116.806 116.806 114.960 1.846 19155 8216 1 18 . 1 1 56 56 SER HA H 56 4.435 4.435 4.367 0.068 19155 8217 1 18 . 1 1 56 56 SER C C 56 175.566 175.566 175.633 -0.067 19155 8218 1 18 . 1 1 56 56 SER CA C 56 60.163 60.163 59.005 1.158 19155 8219 1 18 . 1 1 56 56 SER CB C 56 64.439 64.439 63.915 0.524 19155 8220 1 18 . 1 1 56 56 SER H H 56 7.504 7.504 7.819 -0.315 19155 8221 1 18 . 1 1 57 57 THR N N 57 111.347 111.347 122.864 -11.517 19155 8222 1 18 . 1 1 57 57 THR HA H 57 4.539 4.539 4.367 0.172 19155 8223 1 18 . 1 1 57 57 THR C C 57 174.424 174.424 174.498 -0.074 19155 8224 1 18 . 1 1 57 57 THR CA C 57 61.518 61.518 62.676 -1.158 19155 8225 1 18 . 1 1 57 57 THR CB C 57 70.377 70.377 69.101 1.276 19155 8226 1 18 . 1 1 57 57 THR H H 57 9.083 9.083 8.500 0.583 19155 8227 1 18 . 1 1 58 58 SER N N 58 115.415 115.415 116.231 -0.816 19155 8228 1 18 . 1 1 58 58 SER HA H 58 5.059 5.059 4.689 0.370 19155 8229 1 18 . 1 1 58 58 SER C C 58 174.278 174.278 174.551 -0.273 19155 8230 1 18 . 1 1 58 58 SER CA C 58 56.928 56.928 57.022 -0.094 19155 8231 1 18 . 1 1 58 58 SER CB C 58 66.570 66.570 65.695 0.875 19155 8232 1 18 . 1 1 58 58 SER H H 58 7.689 7.689 7.484 0.205 19155 8233 1 18 . 1 1 59 59 GLU N N 59 124.305 124.305 126.934 -2.629 19155 8234 1 18 . 1 1 59 59 GLU HA H 59 3.990 3.990 3.938 0.052 19155 8235 1 18 . 1 1 59 59 GLU C C 59 179.113 179.113 177.565 1.548 19155 8236 1 18 . 1 1 59 59 GLU CA C 59 60.159 60.159 59.722 0.437 19155 8237 1 18 . 1 1 59 59 GLU CB C 59 29.616 29.616 28.818 0.798 19155 8238 1 18 . 1 1 59 59 GLU H H 59 9.719 9.719 9.079 0.640 19155 8239 1 18 . 1 1 60 60 SER N N 60 115.406 115.406 112.014 3.392 19155 8240 1 18 . 1 1 60 60 SER HA H 60 4.249 4.249 4.611 -0.361 19155 8241 1 18 . 1 1 60 60 SER C C 60 177.307 177.307 175.750 1.557 19155 8242 1 18 . 1 1 60 60 SER CA C 60 61.259 61.259 59.528 1.731 19155 8243 1 18 . 1 1 60 60 SER CB C 60 61.960 61.960 62.894 -0.934 19155 8244 1 18 . 1 1 60 60 SER H H 60 8.614 8.614 8.400 0.214 19155 8245 1 18 . 1 1 61 61 GLN N N 61 121.656 121.656 121.943 -0.287 19155 8246 1 18 . 1 1 61 61 GLN HA H 61 4.107 4.107 4.304 -0.197 19155 8247 1 18 . 1 1 61 61 GLN C C 61 178.777 178.777 177.659 1.118 19155 8248 1 18 . 1 1 61 61 GLN CA C 61 58.743 58.743 57.806 0.937 19155 8249 1 18 . 1 1 61 61 GLN CB C 61 28.900 28.900 29.665 -0.765 19155 8250 1 18 . 1 1 61 61 GLN H H 61 7.669 7.669 7.548 0.121 19155 8251 1 18 . 1 1 62 62 LEU N N 62 118.689 118.689 121.555 -2.866 19155 8252 1 18 . 1 1 62 62 LEU HA H 62 4.035 4.035 3.864 0.171 19155 8253 1 18 . 1 1 62 62 LEU C C 62 178.363 178.363 179.010 -0.647 19155 8254 1 18 . 1 1 62 62 LEU CA C 62 58.725 58.725 58.132 0.593 19155 8255 1 18 . 1 1 62 62 LEU CB C 62 41.836 41.836 41.977 -0.141 19155 8256 1 18 . 1 1 62 62 LEU H H 62 7.736 7.736 8.536 -0.800 19155 8257 1 18 . 1 1 63 63 GLN N N 63 117.441 117.441 116.761 0.680 19155 8258 1 18 . 1 1 63 63 GLN HA H 63 4.078 4.078 4.066 0.012 19155 8259 1 18 . 1 1 63 63 GLN C C 63 179.312 179.312 178.103 1.209 19155 8260 1 18 . 1 1 63 63 GLN CA C 63 59.062 59.062 58.395 0.667 19155 8261 1 18 . 1 1 63 63 GLN CB C 63 27.819 27.819 28.467 -0.648 19155 8262 1 18 . 1 1 63 63 GLN H H 63 7.943 7.943 8.095 -0.152 19155 8263 1 18 . 1 1 64 64 ILE N N 64 120.406 120.406 119.933 0.473 19155 8264 1 18 . 1 1 64 64 ILE HA H 64 3.809 3.809 4.019 -0.210 19155 8265 1 18 . 1 1 64 64 ILE C C 64 178.734 178.734 177.603 1.131 19155 8266 1 18 . 1 1 64 64 ILE CA C 64 64.722 64.722 61.458 3.264 19155 8267 1 18 . 1 1 64 64 ILE CB C 64 37.971 37.971 36.942 1.029 19155 8268 1 18 . 1 1 64 64 ILE H H 64 7.544 7.544 7.714 -0.170 19155 8269 1 18 . 1 1 65 65 LEU N N 65 120.247 120.247 121.649 -1.402 19155 8270 1 18 . 1 1 65 65 LEU HA H 65 4.212 4.212 4.126 0.086 19155 8271 1 18 . 1 1 65 65 LEU C C 65 179.685 179.685 179.497 0.188 19155 8272 1 18 . 1 1 65 65 LEU CA C 65 58.004 58.004 58.406 -0.401 19155 8273 1 18 . 1 1 65 65 LEU CB C 65 42.553 42.553 40.443 2.110 19155 8274 1 18 . 1 1 65 65 LEU H H 65 8.361 8.361 8.217 0.144 19155 8275 1 18 . 1 1 66 66 MET N N 66 118.685 118.685 118.075 0.610 19155 8276 1 18 . 1 1 66 66 MET HA H 66 3.918 3.918 4.047 -0.129 19155 8277 1 18 . 1 1 66 66 MET C C 66 178.906 178.906 178.702 0.204 19155 8278 1 18 . 1 1 66 66 MET CA C 66 59.467 59.467 59.371 0.096 19155 8279 1 18 . 1 1 66 66 MET CB C 66 33.519 33.519 32.250 1.269 19155 8280 1 18 . 1 1 66 66 MET H H 66 8.458 8.458 7.443 1.015 19155 8281 1 18 . 1 1 67 67 MET N N 67 118.685 118.685 117.050 1.635 19155 8282 1 18 . 1 1 67 67 MET HA H 67 4.098 4.098 4.126 -0.028 19155 8283 1 18 . 1 1 67 67 MET C C 67 178.781 178.781 178.550 0.231 19155 8284 1 18 . 1 1 67 67 MET CA C 67 58.379 58.379 57.001 1.378 19155 8285 1 18 . 1 1 67 67 MET CB C 67 32.031 32.031 30.251 1.780 19155 8286 1 18 . 1 1 67 67 MET H H 67 7.559 7.559 7.401 0.158 19155 8287 1 18 . 1 1 68 68 GLU N N 68 122.128 122.128 119.680 2.448 19155 8288 1 18 . 1 1 68 68 GLU HA H 68 3.990 3.990 4.152 -0.162 19155 8289 1 18 . 1 1 68 68 GLU C C 68 178.803 178.803 179.155 -0.352 19155 8290 1 18 . 1 1 68 68 GLU CA C 68 59.459 59.459 58.975 0.484 19155 8291 1 18 . 1 1 68 68 GLU CB C 68 30.706 30.706 29.223 1.484 19155 8292 1 18 . 1 1 68 68 GLU H H 68 8.895 8.895 8.762 0.133 19155 8293 1 18 . 1 1 69 69 SER N N 69 114.769 114.769 116.472 -1.703 19155 8294 1 18 . 1 1 69 69 SER HA H 69 2.872 2.872 3.129 -0.257 19155 8295 1 18 . 1 1 69 69 SER C C 69 175.801 175.801 176.247 -0.446 19155 8296 1 18 . 1 1 69 69 SER CA C 69 62.000 62.000 61.682 0.318 19155 8297 1 18 . 1 1 69 69 SER CB C 69 62.282 62.282 62.091 0.191 19155 8298 1 18 . 1 1 69 69 SER H H 69 8.161 8.161 8.199 -0.038 19155 8299 1 18 . 1 1 70 70 ARG N N 70 120.552 120.552 121.767 -1.215 19155 8300 1 18 . 1 1 70 70 ARG HA H 70 3.744 3.744 3.796 -0.052 19155 8301 1 18 . 1 1 70 70 ARG C C 70 177.654 177.654 178.559 -0.905 19155 8302 1 18 . 1 1 70 70 ARG CA C 70 59.793 59.793 59.134 0.659 19155 8303 1 18 . 1 1 70 70 ARG CB C 70 29.974 29.974 29.522 0.452 19155 8304 1 18 . 1 1 70 70 ARG H H 70 6.945 6.945 7.836 -0.891 19155 8305 1 18 . 1 1 71 71 SER N N 71 113.064 113.064 114.894 -1.830 19155 8306 1 18 . 1 1 71 71 SER HA H 71 4.275 4.275 4.040 0.235 19155 8307 1 18 . 1 1 71 71 SER C C 71 177.491 177.491 176.319 1.172 19155 8308 1 18 . 1 1 71 71 SER CA C 71 61.571 61.571 61.836 -0.265 19155 8309 1 18 . 1 1 71 71 SER CB C 71 62.710 62.710 62.847 -0.137 19155 8310 1 18 . 1 1 71 71 SER H H 71 7.721 7.721 8.313 -0.592 19155 8311 1 18 . 1 1 72 72 LYS N N 72 121.657 121.657 121.331 0.326 19155 8312 1 18 . 1 1 72 72 LYS HA H 72 4.170 4.170 4.185 -0.015 19155 8313 1 18 . 1 1 72 72 LYS C C 72 180.429 180.429 179.116 1.313 19155 8314 1 18 . 1 1 72 72 LYS CA C 72 58.725 58.725 58.981 -0.256 19155 8315 1 18 . 1 1 72 72 LYS CB C 72 32.131 32.131 32.587 -0.456 19155 8316 1 18 . 1 1 72 72 LYS H H 72 8.414 8.414 8.084 0.330 19155 8317 1 18 . 1 1 73 73 VAL N N 73 123.222 123.222 121.248 1.974 19155 8318 1 18 . 1 1 73 73 VAL HA H 73 3.598 3.598 3.694 -0.096 19155 8319 1 18 . 1 1 73 73 VAL C C 73 176.929 176.929 177.404 -0.475 19155 8320 1 18 . 1 1 73 73 VAL CA C 73 66.975 66.975 66.969 0.006 19155 8321 1 18 . 1 1 73 73 VAL CB C 73 31.704 31.704 31.341 0.363 19155 8322 1 18 . 1 1 73 73 VAL H H 73 8.421 8.421 8.515 -0.094 19155 8323 1 18 . 1 1 74 74 ASP N N 74 120.101 120.101 120.059 0.042 19155 8324 1 18 . 1 1 74 74 ASP HA H 74 4.393 4.393 4.393 -0.000 19155 8325 1 18 . 1 1 74 74 ASP C C 74 180.001 180.001 178.216 1.785 19155 8326 1 18 . 1 1 74 74 ASP CA C 74 57.324 57.324 57.927 -0.603 19155 8327 1 18 . 1 1 74 74 ASP CB C 74 39.326 39.326 41.011 -1.685 19155 8328 1 18 . 1 1 74 74 ASP H H 74 8.674 8.674 8.460 0.214 19155 8329 1 18 . 1 1 75 75 GLU N N 75 121.349 121.349 119.994 1.355 19155 8330 1 18 . 1 1 75 75 GLU HA H 75 4.113 4.113 3.993 0.120 19155 8331 1 18 . 1 1 75 75 GLU C C 75 178.732 178.732 178.630 0.102 19155 8332 1 18 . 1 1 75 75 GLU CA C 75 59.083 59.083 59.495 -0.412 19155 8333 1 18 . 1 1 75 75 GLU CB C 75 29.975 29.975 29.753 0.222 19155 8334 1 18 . 1 1 75 75 GLU H H 75 8.475 8.475 8.123 0.352 19155 8335 1 18 . 1 1 76 76 ALA N N 76 124.160 124.160 122.349 1.811 19155 8336 1 18 . 1 1 76 76 ALA HA H 76 4.281 4.281 4.237 0.044 19155 8337 1 18 . 1 1 76 76 ALA C C 76 179.906 179.906 179.908 -0.002 19155 8338 1 18 . 1 1 76 76 ALA CA C 76 55.530 55.530 55.224 0.306 19155 8339 1 18 . 1 1 76 76 ALA CB C 76 17.424 17.424 18.481 -1.057 19155 8340 1 18 . 1 1 76 76 ALA H H 76 7.944 7.944 7.825 0.119 19155 8341 1 18 . 1 1 77 77 VAL N N 77 117.439 117.439 118.916 -1.477 19155 8342 1 18 . 1 1 77 77 VAL HA H 77 3.644 3.644 3.543 0.101 19155 8343 1 18 . 1 1 77 77 VAL C C 77 178.784 178.784 177.912 0.872 19155 8344 1 18 . 1 1 77 77 VAL CA C 77 66.958 66.958 67.270 -0.312 19155 8345 1 18 . 1 1 77 77 VAL CB C 77 31.807 31.807 31.674 0.133 19155 8346 1 18 . 1 1 77 77 VAL H H 77 8.204 8.204 8.594 -0.390 19155 8347 1 18 . 1 1 78 78 SER N N 78 113.687 113.687 114.042 -0.355 19155 8348 1 18 . 1 1 78 78 SER HA H 78 4.266 4.266 4.086 0.180 19155 8349 1 18 . 1 1 78 78 SER C C 78 176.762 176.762 176.199 0.563 19155 8350 1 18 . 1 1 78 78 SER CA C 78 61.241 61.241 61.331 -0.090 19155 8351 1 18 . 1 1 78 78 SER CB C 78 62.678 62.678 62.922 -0.243 19155 8352 1 18 . 1 1 78 78 SER H H 78 7.935 7.935 8.505 -0.570 19155 8353 1 18 . 1 1 79 79 LYS N N 79 121.029 121.029 121.495 -0.466 19155 8354 1 18 . 1 1 79 79 LYS HA H 79 4.070 4.070 4.007 0.063 19155 8355 1 18 . 1 1 79 79 LYS C C 79 178.135 178.135 178.104 0.031 19155 8356 1 18 . 1 1 79 79 LYS CA C 79 58.723 58.723 59.009 -0.286 19155 8357 1 18 . 1 1 79 79 LYS CB C 79 32.489 32.489 32.297 0.191 19155 8358 1 18 . 1 1 79 79 LYS H H 79 7.989 7.989 7.967 0.022 19155 8359 1 18 . 1 1 80 80 PHE N N 80 117.437 117.437 117.696 -0.259 19155 8360 1 18 . 1 1 80 80 PHE HA H 80 4.490 4.490 4.472 0.018 19155 8361 1 18 . 1 1 80 80 PHE C C 80 176.236 176.236 177.392 -1.156 19155 8362 1 18 . 1 1 80 80 PHE CA C 80 59.444 59.444 59.597 -0.153 19155 8363 1 18 . 1 1 80 80 PHE CB C 80 40.032 40.032 39.601 0.431 19155 8364 1 18 . 1 1 80 80 PHE H H 80 7.838 7.838 8.140 -0.302 19155 8365 1 18 . 1 1 81 81 GLU N N 81 120.092 120.092 117.270 2.822 19155 8366 1 18 . 1 1 81 81 GLU HA H 81 4.290 4.290 4.292 -0.002 19155 8367 1 18 . 1 1 81 81 GLU C C 81 175.715 175.715 177.346 -1.631 19155 8368 1 18 . 1 1 81 81 GLU CA C 81 56.928 56.928 57.082 -0.154 19155 8369 1 18 . 1 1 81 81 GLU CB C 81 29.997 29.997 29.623 0.374 19155 8370 1 18 . 1 1 81 81 GLU H H 81 7.864 7.864 8.882 -1.018 19155 8371 1 19 . 1 1 2 2 ASP N N 2 119.961 119.961 122.073 -2.112 19155 8372 1 19 . 1 1 2 2 ASP HA H 2 4.440 4.440 4.439 0.001 19155 8373 1 19 . 1 1 2 2 ASP C C 2 178.594 178.594 177.937 0.657 19155 8374 1 19 . 1 1 2 2 ASP CA C 2 57.997 57.997 58.000 -0.003 19155 8375 1 19 . 1 1 2 2 ASP CB C 2 40.098 40.098 40.324 -0.226 19155 8376 1 19 . 1 1 2 2 ASP H H 2 8.260 8.260 8.525 -0.265 19155 8377 1 19 . 1 1 3 3 SER N N 3 115.401 115.401 114.497 0.904 19155 8378 1 19 . 1 1 3 3 SER HA H 3 4.358 4.358 4.267 0.091 19155 8379 1 19 . 1 1 3 3 SER C C 3 177.657 177.657 176.517 1.140 19155 8380 1 19 . 1 1 3 3 SER CA C 3 60.656 60.656 60.856 -0.200 19155 8381 1 19 . 1 1 3 3 SER CB C 3 62.319 62.319 63.150 -0.831 19155 8382 1 19 . 1 1 3 3 SER H H 3 8.112 8.112 8.183 -0.071 19155 8383 1 19 . 1 1 4 4 GLU N N 4 122.287 122.287 123.112 -0.825 19155 8384 1 19 . 1 1 4 4 GLU HA H 4 4.045 4.045 4.048 -0.003 19155 8385 1 19 . 1 1 4 4 GLU C C 4 180.035 180.035 178.539 1.496 19155 8386 1 19 . 1 1 4 4 GLU CA C 4 59.072 59.072 59.518 -0.446 19155 8387 1 19 . 1 1 4 4 GLU CB C 4 28.538 28.538 29.210 -0.672 19155 8388 1 19 . 1 1 4 4 GLU H H 4 8.472 8.472 8.588 -0.116 19155 8389 1 19 . 1 1 5 5 ARG N N 5 121.026 121.026 118.470 2.556 19155 8390 1 19 . 1 1 5 5 ARG HA H 5 3.894 3.894 4.032 -0.138 19155 8391 1 19 . 1 1 5 5 ARG C C 5 178.298 178.298 178.169 0.129 19155 8392 1 19 . 1 1 5 5 ARG CA C 5 60.564 60.564 59.696 0.868 19155 8393 1 19 . 1 1 5 5 ARG CB C 5 30.681 30.681 29.667 1.014 19155 8394 1 19 . 1 1 5 5 ARG H H 5 8.771 8.771 8.481 0.290 19155 8395 1 19 . 1 1 6 6 ASP N N 6 119.775 119.775 120.750 -0.975 19155 8396 1 19 . 1 1 6 6 ASP HA H 6 4.455 4.455 4.460 -0.005 19155 8397 1 19 . 1 1 6 6 ASP C C 6 178.676 178.676 178.795 -0.119 19155 8398 1 19 . 1 1 6 6 ASP CA C 6 57.956 57.956 57.546 0.410 19155 8399 1 19 . 1 1 6 6 ASP CB C 6 40.774 40.774 40.756 0.018 19155 8400 1 19 . 1 1 6 6 ASP H H 6 7.889 7.889 7.942 -0.053 19155 8401 1 19 . 1 1 7 7 LYS N N 7 119.937 119.937 120.428 -0.491 19155 8402 1 19 . 1 1 7 7 LYS HA H 7 4.014 4.014 3.938 0.076 19155 8403 1 19 . 1 1 7 7 LYS C C 7 178.977 178.977 178.762 0.215 19155 8404 1 19 . 1 1 7 7 LYS CA C 7 59.793 59.793 59.767 0.026 19155 8405 1 19 . 1 1 7 7 LYS CB C 7 32.850 32.850 32.454 0.396 19155 8406 1 19 . 1 1 7 7 LYS H H 7 7.950 7.950 8.256 -0.306 19155 8407 1 19 . 1 1 8 8 ALA N N 8 122.436 122.436 121.813 0.623 19155 8408 1 19 . 1 1 8 8 ALA HA H 8 4.478 4.478 4.097 0.381 19155 8409 1 19 . 1 1 8 8 ALA C C 8 178.764 178.764 179.396 -0.632 19155 8410 1 19 . 1 1 8 8 ALA CA C 8 55.168 55.168 55.129 0.039 19155 8411 1 19 . 1 1 8 8 ALA CB C 8 19.502 19.502 18.422 1.079 19155 8412 1 19 . 1 1 8 8 ALA H H 8 7.976 7.976 8.460 -0.484 19155 8413 1 19 . 1 1 9 9 ARG N N 9 118.059 118.059 117.128 0.931 19155 8414 1 19 . 1 1 9 9 ARG HA H 9 3.801 3.801 3.940 -0.139 19155 8415 1 19 . 1 1 9 9 ARG C C 9 177.874 177.874 178.126 -0.252 19155 8416 1 19 . 1 1 9 9 ARG CA C 9 59.794 59.794 59.274 0.520 19155 8417 1 19 . 1 1 9 9 ARG CB C 9 29.989 29.989 29.807 0.182 19155 8418 1 19 . 1 1 9 9 ARG H H 9 8.489 8.489 8.436 0.053 19155 8419 1 19 . 1 1 10 10 LYS N N 10 118.064 118.064 120.081 -2.017 19155 8420 1 19 . 1 1 10 10 LYS HA H 10 4.138 4.138 4.107 0.031 19155 8421 1 19 . 1 1 10 10 LYS C C 10 178.619 178.619 178.811 -0.192 19155 8422 1 19 . 1 1 10 10 LYS CA C 10 59.421 59.421 58.909 0.512 19155 8423 1 19 . 1 1 10 10 LYS CB C 10 32.467 32.467 32.001 0.466 19155 8424 1 19 . 1 1 10 10 LYS H H 10 7.833 7.833 7.791 0.042 19155 8425 1 19 . 1 1 11 11 GLU N N 11 118.845 118.845 119.791 -0.946 19155 8426 1 19 . 1 1 11 11 GLU HA H 11 4.107 4.107 4.097 0.010 19155 8427 1 19 . 1 1 11 11 GLU C C 11 180.137 180.137 179.016 1.121 19155 8428 1 19 . 1 1 11 11 GLU CA C 11 59.803 59.803 59.440 0.363 19155 8429 1 19 . 1 1 11 11 GLU CB C 11 29.248 29.248 29.483 -0.235 19155 8430 1 19 . 1 1 11 11 GLU H H 11 7.991 7.991 8.229 -0.238 19155 8431 1 19 . 1 1 12 12 VAL N N 12 120.562 120.562 115.452 5.110 19155 8432 1 19 . 1 1 12 12 VAL HA H 12 3.851 3.851 3.787 0.064 19155 8433 1 19 . 1 1 12 12 VAL C C 12 178.182 178.182 177.880 0.302 19155 8434 1 19 . 1 1 12 12 VAL CA C 12 66.625 66.625 65.995 0.630 19155 8435 1 19 . 1 1 12 12 VAL CB C 12 31.784 31.784 31.664 0.120 19155 8436 1 19 . 1 1 12 12 VAL H H 12 8.173 8.173 7.502 0.671 19155 8437 1 19 . 1 1 13 13 GLU N N 13 117.912 117.912 121.355 -3.443 19155 8438 1 19 . 1 1 13 13 GLU HA H 13 3.841 3.841 3.980 -0.139 19155 8439 1 19 . 1 1 13 13 GLU C C 13 179.959 179.959 178.869 1.090 19155 8440 1 19 . 1 1 13 13 GLU CA C 13 60.498 60.498 60.297 0.201 19155 8441 1 19 . 1 1 13 13 GLU CB C 13 30.014 30.014 29.530 0.484 19155 8442 1 19 . 1 1 13 13 GLU H H 13 8.624 8.624 8.646 -0.022 19155 8443 1 19 . 1 1 14 14 GLU N N 14 117.909 117.909 119.409 -1.500 19155 8444 1 19 . 1 1 14 14 GLU HA H 14 4.025 4.025 4.088 -0.063 19155 8445 1 19 . 1 1 14 14 GLU C C 14 179.020 179.020 178.758 0.262 19155 8446 1 19 . 1 1 14 14 GLU CA C 14 59.442 59.442 58.894 0.548 19155 8447 1 19 . 1 1 14 14 GLU CB C 14 29.257 29.257 29.191 0.066 19155 8448 1 19 . 1 1 14 14 GLU H H 14 8.904 8.904 8.436 0.468 19155 8449 1 19 . 1 1 15 15 TYR N N 15 122.592 122.592 121.827 0.765 19155 8450 1 19 . 1 1 15 15 TYR HA H 15 4.359 4.359 4.138 0.221 19155 8451 1 19 . 1 1 15 15 TYR C C 15 177.581 177.581 177.528 0.053 19155 8452 1 19 . 1 1 15 15 TYR CA C 15 62.430 62.430 62.246 0.184 19155 8453 1 19 . 1 1 15 15 TYR CB C 15 38.541 38.541 38.745 -0.204 19155 8454 1 19 . 1 1 15 15 TYR H H 15 8.170 8.170 8.040 0.130 19155 8455 1 19 . 1 1 16 16 VAL N N 16 116.497 116.497 119.577 -3.080 19155 8456 1 19 . 1 1 16 16 VAL HA H 16 3.386 3.386 3.485 -0.099 19155 8457 1 19 . 1 1 16 16 VAL C C 16 177.221 177.221 177.475 -0.254 19155 8458 1 19 . 1 1 16 16 VAL CA C 16 68.053 68.053 66.855 1.198 19155 8459 1 19 . 1 1 16 16 VAL CB C 16 31.427 31.427 31.435 -0.008 19155 8460 1 19 . 1 1 16 16 VAL H H 16 7.953 7.953 8.102 -0.149 19155 8461 1 19 . 1 1 17 17 LYS N N 17 118.530 118.530 120.104 -1.574 19155 8462 1 19 . 1 1 17 17 LYS HA H 17 3.922 3.922 3.787 0.135 19155 8463 1 19 . 1 1 17 17 LYS C C 17 179.742 179.742 178.587 1.155 19155 8464 1 19 . 1 1 17 17 LYS CA C 17 60.145 60.145 60.224 -0.079 19155 8465 1 19 . 1 1 17 17 LYS CB C 17 32.827 32.827 32.259 0.568 19155 8466 1 19 . 1 1 17 17 LYS H H 17 8.274 8.274 8.322 -0.048 19155 8467 1 19 . 1 1 18 18 LYS N N 18 121.031 121.031 119.488 1.543 19155 8468 1 19 . 1 1 18 18 LYS HA H 18 4.018 4.018 4.016 0.002 19155 8469 1 19 . 1 1 18 18 LYS C C 18 178.962 178.962 178.840 0.122 19155 8470 1 19 . 1 1 18 18 LYS CA C 18 59.085 59.085 59.499 -0.414 19155 8471 1 19 . 1 1 18 18 LYS CB C 18 32.132 32.132 32.453 -0.321 19155 8472 1 19 . 1 1 18 18 LYS H H 18 7.946 7.946 7.959 -0.013 19155 8473 1 19 . 1 1 19 19 ILE N N 19 120.718 120.718 119.304 1.414 19155 8474 1 19 . 1 1 19 19 ILE HA H 19 3.727 3.727 3.707 0.020 19155 8475 1 19 . 1 1 19 19 ILE C C 19 172.120 172.120 178.286 -6.166 19155 8476 1 19 . 1 1 19 19 ILE CA C 19 62.128 62.128 64.415 -2.287 19155 8477 1 19 . 1 1 19 19 ILE CB C 19 35.988 35.988 37.599 -1.611 19155 8478 1 19 . 1 1 19 19 ILE H H 19 7.796 7.796 8.030 -0.234 19155 8479 1 19 . 1 1 20 20 VAL N N 20 124.792 124.792 121.497 3.295 19155 8480 1 19 . 1 1 20 20 VAL HA H 20 3.312 3.312 3.536 -0.224 19155 8481 1 19 . 1 1 20 20 VAL C C 20 177.873 177.873 178.244 -0.371 19155 8482 1 19 . 1 1 20 20 VAL CA C 20 67.738 67.738 67.047 0.690 19155 8483 1 19 . 1 1 20 20 VAL CB C 20 31.772 31.772 30.895 0.876 19155 8484 1 19 . 1 1 20 20 VAL H H 20 9.190 9.190 8.634 0.556 19155 8485 1 19 . 1 1 21 21 GLY N N 21 106.034 106.034 106.802 -0.768 19155 8486 1 19 . 1 1 21 21 GLY C C 21 177.470 177.470 176.425 1.045 19155 8487 1 19 . 1 1 21 21 GLY CA C 21 47.226 47.226 47.188 0.038 19155 8488 1 19 . 1 1 21 21 GLY H H 21 8.117 8.117 7.967 0.150 19155 8489 1 19 . 1 1 22 22 GLU N N 22 122.282 122.282 121.299 0.983 19155 8490 1 19 . 1 1 22 22 GLU HA H 22 4.104 4.104 4.099 0.005 19155 8491 1 19 . 1 1 22 22 GLU C C 22 178.827 178.827 178.933 -0.106 19155 8492 1 19 . 1 1 22 22 GLU CA C 22 59.016 59.016 59.111 -0.095 19155 8493 1 19 . 1 1 22 22 GLU CB C 22 29.619 29.619 29.220 0.399 19155 8494 1 19 . 1 1 22 22 GLU H H 22 8.197 8.197 8.568 -0.371 19155 8495 1 19 . 1 1 23 23 SER N N 23 116.812 116.812 115.859 0.953 19155 8496 1 19 . 1 1 23 23 SER HA H 23 4.201 4.201 4.141 0.060 19155 8497 1 19 . 1 1 23 23 SER C C 23 177.084 177.084 177.041 0.043 19155 8498 1 19 . 1 1 23 23 SER CA C 23 61.998 61.998 61.288 0.710 19155 8499 1 19 . 1 1 23 23 SER CB C 23 62.105 62.105 62.654 -0.549 19155 8500 1 19 . 1 1 23 23 SER H H 23 8.285 8.285 8.185 0.100 19155 8501 1 19 . 1 1 24 24 TYR N N 24 120.879 120.879 121.822 -0.943 19155 8502 1 19 . 1 1 24 24 TYR HA H 24 4.396 4.396 4.273 0.123 19155 8503 1 19 . 1 1 24 24 TYR C C 24 178.846 178.846 178.151 0.695 19155 8504 1 19 . 1 1 24 24 TYR CA C 24 61.189 61.189 61.059 0.130 19155 8505 1 19 . 1 1 24 24 TYR CB C 24 37.866 37.866 38.038 -0.172 19155 8506 1 19 . 1 1 24 24 TYR H H 24 8.254 8.254 7.711 0.543 19155 8507 1 19 . 1 1 25 25 ALA N N 25 122.124 122.124 119.829 2.295 19155 8508 1 19 . 1 1 25 25 ALA HA H 25 4.251 4.251 4.205 0.046 19155 8509 1 19 . 1 1 25 25 ALA C C 25 178.999 178.999 177.251 1.748 19155 8510 1 19 . 1 1 25 25 ALA CA C 25 54.608 54.608 54.250 0.358 19155 8511 1 19 . 1 1 25 25 ALA CB C 25 18.108 18.108 18.459 -0.351 19155 8512 1 19 . 1 1 25 25 ALA H H 25 8.018 8.018 7.993 0.025 19155 8513 1 19 . 1 1 26 26 LYS N N 26 115.251 115.251 115.582 -0.331 19155 8514 1 19 . 1 1 26 26 LYS HA H 26 4.459 4.459 4.513 -0.054 19155 8515 1 19 . 1 1 26 26 LYS C C 26 176.598 176.598 175.673 0.925 19155 8516 1 19 . 1 1 26 26 LYS CA C 26 56.209 56.209 55.713 0.496 19155 8517 1 19 . 1 1 26 26 LYS CB C 26 33.191 33.191 33.038 0.153 19155 8518 1 19 . 1 1 26 26 LYS H H 26 7.533 7.533 7.526 0.007 19155 8519 1 19 . 1 1 27 27 SER N N 27 115.400 115.400 115.979 -0.579 19155 8520 1 19 . 1 1 27 27 SER HA H 27 4.332 4.332 4.706 -0.374 19155 8521 1 19 . 1 1 27 27 SER C C 27 174.768 174.768 173.771 0.997 19155 8522 1 19 . 1 1 27 27 SER CA C 27 58.808 58.808 57.887 0.921 19155 8523 1 19 . 1 1 27 27 SER CB C 27 63.397 63.397 65.226 -1.829 19155 8524 1 19 . 1 1 27 27 SER H H 27 7.570 7.570 7.847 -0.277 19155 8525 1 19 . 1 1 28 28 THR N N 28 114.468 114.468 116.483 -2.015 19155 8526 1 19 . 1 1 28 28 THR HA H 28 4.649 4.649 4.728 -0.078 19155 8527 1 19 . 1 1 28 28 THR CA C 28 60.242 60.242 60.313 -0.071 19155 8528 1 19 . 1 1 28 28 THR CB C 28 71.544 71.544 70.209 1.335 19155 8529 1 19 . 1 1 28 28 THR H H 28 7.725 7.725 8.198 -0.473 19155 8530 1 19 . 1 1 29 29 LYS HA H 29 4.300 4.300 4.095 0.205 19155 8531 1 19 . 1 1 29 29 LYS CA C 29 57.974 57.974 59.192 -1.218 19155 8532 1 19 . 1 1 29 29 LYS CB C 29 32.820 32.820 31.969 0.851 19155 8533 1 19 . 1 1 30 30 LYS HA H 30 4.154 4.154 4.165 -0.011 19155 8534 1 19 . 1 1 30 30 LYS CA C 30 58.725 58.725 57.380 1.345 19155 8535 1 19 . 1 1 31 31 ARG HA H 31 4.533 4.533 4.604 -0.071 19155 8536 1 19 . 1 1 31 31 ARG CA C 31 56.137 56.137 54.647 1.490 19155 8537 1 19 . 1 1 31 31 ARG CB C 31 31.003 31.003 30.365 0.638 19155 8538 1 19 . 1 1 32 32 HIS HA H 32 4.570 4.570 4.287 0.283 19155 8539 1 19 . 1 1 32 32 HIS C C 32 176.136 176.136 176.854 -0.718 19155 8540 1 19 . 1 1 32 32 HIS CA C 32 58.689 58.689 60.480 -1.791 19155 8541 1 19 . 1 1 32 32 HIS CB C 32 30.731 30.731 29.538 1.193 19155 8542 1 19 . 1 1 33 33 THR N N 33 111.162 111.162 115.237 -4.075 19155 8543 1 19 . 1 1 33 33 THR HA H 33 3.976 3.976 4.007 -0.031 19155 8544 1 19 . 1 1 33 33 THR C C 33 176.807 176.807 176.854 -0.047 19155 8545 1 19 . 1 1 33 33 THR CA C 33 65.194 65.194 66.342 -1.148 19155 8546 1 19 . 1 1 33 33 THR CB C 33 68.428 68.428 68.561 -0.133 19155 8547 1 19 . 1 1 33 33 THR H H 33 8.355 8.355 8.439 -0.084 19155 8548 1 19 . 1 1 34 34 ILE N N 34 123.220 123.220 122.144 1.076 19155 8549 1 19 . 1 1 34 34 ILE HA H 34 4.047 4.047 3.895 0.152 19155 8550 1 19 . 1 1 34 34 ILE C C 34 176.944 176.944 177.564 -0.620 19155 8551 1 19 . 1 1 34 34 ILE CA C 34 63.746 63.746 64.796 -1.050 19155 8552 1 19 . 1 1 34 34 ILE CB C 34 37.905 37.905 37.783 0.122 19155 8553 1 19 . 1 1 34 34 ILE H H 34 7.824 7.824 8.232 -0.408 19155 8554 1 19 . 1 1 35 35 THR N N 35 118.694 118.694 118.180 0.514 19155 8555 1 19 . 1 1 35 35 THR HA H 35 4.103 4.103 3.856 0.247 19155 8556 1 19 . 1 1 35 35 THR C C 35 175.385 175.385 176.542 -1.157 19155 8557 1 19 . 1 1 35 35 THR CA C 35 63.339 63.339 66.426 -3.087 19155 8558 1 19 . 1 1 35 35 THR CB C 35 68.428 68.428 68.199 0.229 19155 8559 1 19 . 1 1 35 35 THR H H 35 8.053 8.053 7.966 0.087 19155 8560 1 19 . 1 1 36 36 VAL N N 36 120.252 120.252 121.743 -1.491 19155 8561 1 19 . 1 1 36 36 VAL HA H 36 3.494 3.494 3.520 -0.026 19155 8562 1 19 . 1 1 36 36 VAL C C 36 177.667 177.667 176.796 0.871 19155 8563 1 19 . 1 1 36 36 VAL CA C 36 66.312 66.312 65.846 0.466 19155 8564 1 19 . 1 1 36 36 VAL CB C 36 31.787 31.787 31.349 0.438 19155 8565 1 19 . 1 1 36 36 VAL H H 36 8.148 8.148 8.292 -0.144 19155 8566 1 19 . 1 1 37 37 ALA N N 37 121.815 121.815 122.598 -0.783 19155 8567 1 19 . 1 1 37 37 ALA HA H 37 4.168 4.168 4.001 0.167 19155 8568 1 19 . 1 1 37 37 ALA C C 37 180.404 180.404 179.421 0.983 19155 8569 1 19 . 1 1 37 37 ALA CA C 37 55.062 55.062 55.301 -0.239 19155 8570 1 19 . 1 1 37 37 ALA CB C 37 18.114 18.114 18.223 -0.109 19155 8571 1 19 . 1 1 37 37 ALA H H 37 7.526 7.526 7.530 -0.004 19155 8572 1 19 . 1 1 38 38 LEU N N 38 122.124 122.124 119.318 2.806 19155 8573 1 19 . 1 1 38 38 LEU HA H 38 3.574 3.574 3.400 0.174 19155 8574 1 19 . 1 1 38 38 LEU C C 38 177.815 177.815 178.564 -0.749 19155 8575 1 19 . 1 1 38 38 LEU CA C 38 57.671 57.671 57.360 0.311 19155 8576 1 19 . 1 1 38 38 LEU CB C 38 40.383 40.383 41.533 -1.150 19155 8577 1 19 . 1 1 38 38 LEU H H 38 7.987 7.987 8.096 -0.109 19155 8578 1 19 . 1 1 39 39 VAL N N 39 119.627 119.627 118.918 0.709 19155 8579 1 19 . 1 1 39 39 VAL HA H 39 3.295 3.295 3.452 -0.157 19155 8580 1 19 . 1 1 39 39 VAL C C 39 178.084 178.084 177.552 0.532 19155 8581 1 19 . 1 1 39 39 VAL CA C 39 67.710 67.710 67.593 0.117 19155 8582 1 19 . 1 1 39 39 VAL CB C 39 31.393 31.393 31.439 -0.046 19155 8583 1 19 . 1 1 39 39 VAL H H 39 8.410 8.410 8.108 0.302 19155 8584 1 19 . 1 1 40 40 ASN N N 40 117.904 117.904 117.908 -0.004 19155 8585 1 19 . 1 1 40 40 ASN HA H 40 4.528 4.528 4.312 0.216 19155 8586 1 19 . 1 1 40 40 ASN C C 40 177.814 177.814 177.377 0.437 19155 8587 1 19 . 1 1 40 40 ASN CA C 40 56.214 56.214 56.576 -0.362 19155 8588 1 19 . 1 1 40 40 ASN CB C 40 37.990 37.990 38.464 -0.474 19155 8589 1 19 . 1 1 40 40 ASN H H 40 8.211 8.211 8.522 -0.311 19155 8590 1 19 . 1 1 41 41 GLU N N 41 122.117 122.117 120.894 1.223 19155 8591 1 19 . 1 1 41 41 GLU HA H 41 4.330 4.330 4.029 0.301 19155 8592 1 19 . 1 1 41 41 GLU C C 41 179.186 179.186 178.746 0.440 19155 8593 1 19 . 1 1 41 41 GLU CA C 41 59.444 59.444 59.045 0.399 19155 8594 1 19 . 1 1 41 41 GLU CB C 41 28.935 28.935 29.316 -0.381 19155 8595 1 19 . 1 1 41 41 GLU H H 41 7.895 7.895 7.930 -0.035 19155 8596 1 19 . 1 1 42 42 LEU N N 42 118.997 118.997 119.030 -0.033 19155 8597 1 19 . 1 1 42 42 LEU HA H 42 4.036 4.036 3.816 0.220 19155 8598 1 19 . 1 1 42 42 LEU C C 42 179.072 179.072 178.905 0.167 19155 8599 1 19 . 1 1 42 42 LEU CA C 42 58.028 58.028 58.297 -0.269 19155 8600 1 19 . 1 1 42 42 LEU CB C 42 41.053 41.053 41.336 -0.282 19155 8601 1 19 . 1 1 42 42 LEU H H 42 8.915 8.915 8.484 0.431 19155 8602 1 19 . 1 1 43 43 ASN N N 43 117.439 117.439 116.344 1.095 19155 8603 1 19 . 1 1 43 43 ASN HA H 43 4.560 4.560 4.419 0.141 19155 8604 1 19 . 1 1 43 43 ASN C C 43 177.692 177.692 177.310 0.382 19155 8605 1 19 . 1 1 43 43 ASN CA C 43 56.224 56.224 56.307 -0.083 19155 8606 1 19 . 1 1 43 43 ASN CB C 43 38.241 38.241 37.759 0.482 19155 8607 1 19 . 1 1 43 43 ASN H H 43 8.436 8.436 8.584 -0.148 19155 8608 1 19 . 1 1 44 44 ASN N N 44 121.188 121.188 120.052 1.136 19155 8609 1 19 . 1 1 44 44 ASN HA H 44 4.647 4.647 4.572 0.075 19155 8610 1 19 . 1 1 44 44 ASN C C 44 178.704 178.704 177.558 1.146 19155 8611 1 19 . 1 1 44 44 ASN CA C 44 56.233 56.233 55.892 0.341 19155 8612 1 19 . 1 1 44 44 ASN CB C 44 37.466 37.466 38.415 -0.949 19155 8613 1 19 . 1 1 44 44 ASN H H 44 8.079 8.079 7.639 0.440 19155 8614 1 19 . 1 1 45 45 ILE N N 45 124.315 124.315 121.392 2.923 19155 8615 1 19 . 1 1 45 45 ILE HA H 45 3.985 3.985 3.727 0.258 19155 8616 1 19 . 1 1 45 45 ILE C C 45 177.925 177.925 177.840 0.085 19155 8617 1 19 . 1 1 45 45 ILE CA C 45 65.578 65.578 65.820 -0.242 19155 8618 1 19 . 1 1 45 45 ILE CB C 45 38.903 38.903 37.663 1.240 19155 8619 1 19 . 1 1 45 45 ILE H H 45 8.533 8.533 8.511 0.022 19155 8620 1 19 . 1 1 46 46 LYS N N 46 119.624 119.624 120.274 -0.650 19155 8621 1 19 . 1 1 46 46 LYS HA H 46 3.743 3.743 3.902 -0.159 19155 8622 1 19 . 1 1 46 46 LYS C C 46 177.699 177.699 179.001 -1.302 19155 8623 1 19 . 1 1 46 46 LYS CA C 46 60.161 60.161 60.332 -0.171 19155 8624 1 19 . 1 1 46 46 LYS CB C 46 31.420 31.420 32.314 -0.894 19155 8625 1 19 . 1 1 46 46 LYS H H 46 8.660 8.660 8.398 0.262 19155 8626 1 19 . 1 1 47 47 ASN N N 47 116.034 116.034 117.695 -1.661 19155 8627 1 19 . 1 1 47 47 ASN HA H 47 4.468 4.468 4.438 0.030 19155 8628 1 19 . 1 1 47 47 ASN C C 47 177.768 177.768 178.024 -0.256 19155 8629 1 19 . 1 1 47 47 ASN CA C 47 56.538 56.538 56.106 0.432 19155 8630 1 19 . 1 1 47 47 ASN CB C 47 37.882 37.882 37.931 -0.049 19155 8631 1 19 . 1 1 47 47 ASN H H 47 8.344 8.344 8.415 -0.071 19155 8632 1 19 . 1 1 48 48 GLU N N 48 121.665 121.665 121.521 0.144 19155 8633 1 19 . 1 1 48 48 GLU HA H 48 4.044 4.044 4.042 0.002 19155 8634 1 19 . 1 1 48 48 GLU C C 48 179.915 179.915 179.183 0.732 19155 8635 1 19 . 1 1 48 48 GLU CA C 48 59.444 59.444 59.474 -0.030 19155 8636 1 19 . 1 1 48 48 GLU CB C 48 29.230 29.230 29.648 -0.418 19155 8637 1 19 . 1 1 48 48 GLU H H 48 8.301 8.301 8.521 -0.220 19155 8638 1 19 . 1 1 49 49 TYR N N 49 117.600 117.600 118.699 -1.099 19155 8639 1 19 . 1 1 49 49 TYR HA H 49 3.992 3.992 4.311 -0.319 19155 8640 1 19 . 1 1 49 49 TYR C C 49 178.275 178.275 178.380 -0.105 19155 8641 1 19 . 1 1 49 49 TYR CA C 49 64.508 64.508 61.549 2.959 19155 8642 1 19 . 1 1 49 49 TYR CB C 49 37.881 37.881 38.502 -0.621 19155 8643 1 19 . 1 1 49 49 TYR H H 49 8.581 8.581 8.338 0.243 19155 8644 1 19 . 1 1 50 50 LEU N N 50 122.126 122.126 120.828 1.298 19155 8645 1 19 . 1 1 50 50 LEU HA H 50 4.181 4.181 3.816 0.365 19155 8646 1 19 . 1 1 50 50 LEU C C 50 180.089 180.089 178.510 1.579 19155 8647 1 19 . 1 1 50 50 LEU CA C 50 59.061 59.061 58.554 0.507 19155 8648 1 19 . 1 1 50 50 LEU CB C 50 40.096 40.096 41.406 -1.310 19155 8649 1 19 . 1 1 50 50 LEU H H 50 9.207 9.207 8.856 0.351 19155 8650 1 19 . 1 1 51 51 ASN N N 51 117.124 117.124 117.318 -0.194 19155 8651 1 19 . 1 1 51 51 ASN HA H 51 4.535 4.535 4.422 0.113 19155 8652 1 19 . 1 1 51 51 ASN C C 51 177.522 177.522 177.352 0.170 19155 8653 1 19 . 1 1 51 51 ASN CA C 51 56.240 56.240 56.629 -0.389 19155 8654 1 19 . 1 1 51 51 ASN CB C 51 37.898 37.898 38.522 -0.624 19155 8655 1 19 . 1 1 51 51 ASN H H 51 7.634 7.634 8.030 -0.396 19155 8656 1 19 . 1 1 52 52 LYS N N 52 119.154 119.154 118.187 0.967 19155 8657 1 19 . 1 1 52 52 LYS HA H 52 4.037 4.037 4.049 -0.012 19155 8658 1 19 . 1 1 52 52 LYS C C 52 179.905 179.905 177.484 2.421 19155 8659 1 19 . 1 1 52 52 LYS CA C 52 59.803 59.803 58.506 1.297 19155 8660 1 19 . 1 1 52 52 LYS CB C 52 33.215 33.215 32.160 1.055 19155 8661 1 19 . 1 1 52 52 LYS H H 52 7.663 7.663 7.219 0.444 19155 8662 1 19 . 1 1 53 53 ILE N N 53 121.662 121.662 119.489 2.173 19155 8663 1 19 . 1 1 53 53 ILE HA H 53 3.532 3.532 3.783 -0.251 19155 8664 1 19 . 1 1 53 53 ILE C C 53 178.489 178.489 177.463 1.026 19155 8665 1 19 . 1 1 53 53 ILE CA C 53 65.906 65.906 63.302 2.604 19155 8666 1 19 . 1 1 53 53 ILE CB C 53 38.249 38.249 37.310 0.939 19155 8667 1 19 . 1 1 53 53 ILE H H 53 8.493 8.493 7.889 0.604 19155 8668 1 19 . 1 1 54 54 VAL N N 54 119.477 119.477 119.428 0.049 19155 8669 1 19 . 1 1 54 54 VAL HA H 54 3.647 3.647 3.795 -0.148 19155 8670 1 19 . 1 1 54 54 VAL C C 54 176.683 176.683 177.290 -0.607 19155 8671 1 19 . 1 1 54 54 VAL CA C 54 66.643 66.643 65.868 0.775 19155 8672 1 19 . 1 1 54 54 VAL CB C 54 31.448 31.448 31.784 -0.336 19155 8673 1 19 . 1 1 54 54 VAL H H 54 7.598 7.598 8.007 -0.409 19155 8674 1 19 . 1 1 55 55 GLU N N 55 114.467 114.467 117.961 -3.494 19155 8675 1 19 . 1 1 55 55 GLU HA H 55 4.281 4.281 4.281 -0.000 19155 8676 1 19 . 1 1 55 55 GLU C C 55 176.914 176.914 176.101 0.813 19155 8677 1 19 . 1 1 55 55 GLU CA C 55 56.195 56.195 55.389 0.806 19155 8678 1 19 . 1 1 55 55 GLU CB C 55 30.354 30.354 29.168 1.186 19155 8679 1 19 . 1 1 55 55 GLU H H 55 7.064 7.064 7.599 -0.535 19155 8680 1 19 . 1 1 56 56 SER N N 56 116.806 116.806 114.967 1.839 19155 8681 1 19 . 1 1 56 56 SER HA H 56 4.435 4.435 4.440 -0.005 19155 8682 1 19 . 1 1 56 56 SER C C 56 175.566 175.566 175.599 -0.033 19155 8683 1 19 . 1 1 56 56 SER CA C 56 60.163 60.163 58.491 1.672 19155 8684 1 19 . 1 1 56 56 SER CB C 56 64.439 64.439 63.495 0.945 19155 8685 1 19 . 1 1 56 56 SER H H 56 7.504 7.504 7.341 0.163 19155 8686 1 19 . 1 1 57 57 THR N N 57 111.347 111.347 119.911 -8.564 19155 8687 1 19 . 1 1 57 57 THR HA H 57 4.539 4.539 4.432 0.107 19155 8688 1 19 . 1 1 57 57 THR C C 57 174.424 174.424 174.688 -0.264 19155 8689 1 19 . 1 1 57 57 THR CA C 57 61.518 61.518 62.002 -0.484 19155 8690 1 19 . 1 1 57 57 THR CB C 57 70.377 70.377 69.078 1.299 19155 8691 1 19 . 1 1 57 57 THR H H 57 9.083 9.083 8.876 0.207 19155 8692 1 19 . 1 1 58 58 SER N N 58 115.415 115.415 117.030 -1.615 19155 8693 1 19 . 1 1 58 58 SER HA H 58 5.059 5.059 4.649 0.410 19155 8694 1 19 . 1 1 58 58 SER C C 58 174.278 174.278 174.534 -0.256 19155 8695 1 19 . 1 1 58 58 SER CA C 58 56.928 56.928 56.393 0.535 19155 8696 1 19 . 1 1 58 58 SER CB C 58 66.570 66.570 64.847 1.723 19155 8697 1 19 . 1 1 58 58 SER H H 58 7.689 7.689 7.783 -0.094 19155 8698 1 19 . 1 1 59 59 GLU N N 59 124.305 124.305 128.604 -4.299 19155 8699 1 19 . 1 1 59 59 GLU HA H 59 3.990 3.990 4.117 -0.127 19155 8700 1 19 . 1 1 59 59 GLU C C 59 179.113 179.113 177.741 1.372 19155 8701 1 19 . 1 1 59 59 GLU CA C 59 60.159 60.159 58.945 1.214 19155 8702 1 19 . 1 1 59 59 GLU CB C 59 29.616 29.616 29.244 0.372 19155 8703 1 19 . 1 1 59 59 GLU H H 59 9.719 9.719 9.042 0.677 19155 8704 1 19 . 1 1 60 60 SER N N 60 115.406 115.406 116.482 -1.076 19155 8705 1 19 . 1 1 60 60 SER HA H 60 4.249 4.249 4.107 0.142 19155 8706 1 19 . 1 1 60 60 SER C C 60 177.307 177.307 176.307 1.000 19155 8707 1 19 . 1 1 60 60 SER CA C 60 61.259 61.259 60.564 0.695 19155 8708 1 19 . 1 1 60 60 SER CB C 60 61.960 61.960 62.839 -0.879 19155 8709 1 19 . 1 1 60 60 SER H H 60 8.614 8.614 7.904 0.710 19155 8710 1 19 . 1 1 61 61 GLN N N 61 121.656 121.656 122.762 -1.106 19155 8711 1 19 . 1 1 61 61 GLN HA H 61 4.107 4.107 4.007 0.100 19155 8712 1 19 . 1 1 61 61 GLN C C 61 178.777 178.777 178.134 0.643 19155 8713 1 19 . 1 1 61 61 GLN CA C 61 58.743 58.743 58.712 0.031 19155 8714 1 19 . 1 1 61 61 GLN CB C 61 28.900 28.900 28.765 0.135 19155 8715 1 19 . 1 1 61 61 GLN H H 61 7.669 7.669 7.881 -0.212 19155 8716 1 19 . 1 1 62 62 LEU N N 62 118.689 118.689 119.109 -0.420 19155 8717 1 19 . 1 1 62 62 LEU HA H 62 4.035 4.035 3.868 0.167 19155 8718 1 19 . 1 1 62 62 LEU C C 62 178.363 178.363 179.211 -0.848 19155 8719 1 19 . 1 1 62 62 LEU CA C 62 58.725 58.725 57.823 0.902 19155 8720 1 19 . 1 1 62 62 LEU CB C 62 41.836 41.836 41.733 0.103 19155 8721 1 19 . 1 1 62 62 LEU H H 62 7.736 7.736 7.883 -0.147 19155 8722 1 19 . 1 1 63 63 GLN N N 63 117.441 117.441 117.448 -0.007 19155 8723 1 19 . 1 1 63 63 GLN HA H 63 4.078 4.078 4.028 0.050 19155 8724 1 19 . 1 1 63 63 GLN C C 63 179.312 179.312 178.556 0.756 19155 8725 1 19 . 1 1 63 63 GLN CA C 63 59.062 59.062 58.659 0.403 19155 8726 1 19 . 1 1 63 63 GLN CB C 63 27.819 27.819 28.805 -0.986 19155 8727 1 19 . 1 1 63 63 GLN H H 63 7.943 7.943 7.532 0.411 19155 8728 1 19 . 1 1 64 64 ILE N N 64 120.406 120.406 120.146 0.260 19155 8729 1 19 . 1 1 64 64 ILE HA H 64 3.809 3.809 3.859 -0.050 19155 8730 1 19 . 1 1 64 64 ILE C C 64 178.734 178.734 177.952 0.782 19155 8731 1 19 . 1 1 64 64 ILE CA C 64 64.722 64.722 62.225 2.497 19155 8732 1 19 . 1 1 64 64 ILE CB C 64 37.971 37.971 36.775 1.196 19155 8733 1 19 . 1 1 64 64 ILE H H 64 7.544 7.544 7.419 0.125 19155 8734 1 19 . 1 1 65 65 LEU N N 65 120.247 120.247 119.866 0.381 19155 8735 1 19 . 1 1 65 65 LEU HA H 65 4.212 4.212 4.018 0.194 19155 8736 1 19 . 1 1 65 65 LEU C C 65 179.685 179.685 179.032 0.653 19155 8737 1 19 . 1 1 65 65 LEU CA C 65 58.004 58.004 58.068 -0.064 19155 8738 1 19 . 1 1 65 65 LEU CB C 65 42.553 42.553 41.221 1.332 19155 8739 1 19 . 1 1 65 65 LEU H H 65 8.361 8.361 8.478 -0.117 19155 8740 1 19 . 1 1 66 66 MET N N 66 118.685 118.685 117.984 0.701 19155 8741 1 19 . 1 1 66 66 MET HA H 66 3.918 3.918 4.073 -0.155 19155 8742 1 19 . 1 1 66 66 MET C C 66 178.906 178.906 178.576 0.330 19155 8743 1 19 . 1 1 66 66 MET CA C 66 59.467 59.467 59.080 0.387 19155 8744 1 19 . 1 1 66 66 MET CB C 66 33.519 33.519 32.455 1.065 19155 8745 1 19 . 1 1 66 66 MET H H 66 8.458 8.458 7.508 0.950 19155 8746 1 19 . 1 1 67 67 MET N N 67 118.685 118.685 118.605 0.080 19155 8747 1 19 . 1 1 67 67 MET HA H 67 4.098 4.098 4.071 0.027 19155 8748 1 19 . 1 1 67 67 MET C C 67 178.781 178.781 178.411 0.370 19155 8749 1 19 . 1 1 67 67 MET CA C 67 58.379 58.379 58.428 -0.049 19155 8750 1 19 . 1 1 67 67 MET CB C 67 32.031 32.031 31.606 0.425 19155 8751 1 19 . 1 1 67 67 MET H H 67 7.559 7.559 7.730 -0.171 19155 8752 1 19 . 1 1 68 68 GLU N N 68 122.128 122.128 119.816 2.312 19155 8753 1 19 . 1 1 68 68 GLU HA H 68 3.990 3.990 3.961 0.029 19155 8754 1 19 . 1 1 68 68 GLU C C 68 178.803 178.803 179.200 -0.397 19155 8755 1 19 . 1 1 68 68 GLU CA C 68 59.459 59.459 59.689 -0.230 19155 8756 1 19 . 1 1 68 68 GLU CB C 68 30.706 30.706 29.531 1.175 19155 8757 1 19 . 1 1 68 68 GLU H H 68 8.895 8.895 8.677 0.218 19155 8758 1 19 . 1 1 69 69 SER N N 69 114.769 114.769 115.304 -0.535 19155 8759 1 19 . 1 1 69 69 SER HA H 69 2.872 2.872 3.470 -0.598 19155 8760 1 19 . 1 1 69 69 SER C C 69 175.801 175.801 176.483 -0.682 19155 8761 1 19 . 1 1 69 69 SER CA C 69 62.000 62.000 61.517 0.483 19155 8762 1 19 . 1 1 69 69 SER CB C 69 62.282 62.282 62.501 -0.219 19155 8763 1 19 . 1 1 69 69 SER H H 69 8.161 8.161 8.132 0.029 19155 8764 1 19 . 1 1 70 70 ARG N N 70 120.552 120.552 122.369 -1.817 19155 8765 1 19 . 1 1 70 70 ARG HA H 70 3.744 3.744 3.518 0.226 19155 8766 1 19 . 1 1 70 70 ARG C C 70 177.654 177.654 178.347 -0.693 19155 8767 1 19 . 1 1 70 70 ARG CA C 70 59.793 59.793 59.619 0.174 19155 8768 1 19 . 1 1 70 70 ARG CB C 70 29.974 29.974 29.424 0.550 19155 8769 1 19 . 1 1 70 70 ARG H H 70 6.945 6.945 8.032 -1.087 19155 8770 1 19 . 1 1 71 71 SER N N 71 113.064 113.064 114.294 -1.230 19155 8771 1 19 . 1 1 71 71 SER HA H 71 4.275 4.275 4.084 0.191 19155 8772 1 19 . 1 1 71 71 SER C C 71 177.491 177.491 176.174 1.317 19155 8773 1 19 . 1 1 71 71 SER CA C 71 61.571 61.571 61.514 0.057 19155 8774 1 19 . 1 1 71 71 SER CB C 71 62.710 62.710 62.866 -0.156 19155 8775 1 19 . 1 1 71 71 SER H H 71 7.721 7.721 8.213 -0.492 19155 8776 1 19 . 1 1 72 72 LYS N N 72 121.657 121.657 121.725 -0.068 19155 8777 1 19 . 1 1 72 72 LYS HA H 72 4.170 4.170 4.040 0.130 19155 8778 1 19 . 1 1 72 72 LYS C C 72 180.429 180.429 178.921 1.508 19155 8779 1 19 . 1 1 72 72 LYS CA C 72 58.725 58.725 59.308 -0.583 19155 8780 1 19 . 1 1 72 72 LYS CB C 72 32.131 32.131 32.397 -0.266 19155 8781 1 19 . 1 1 72 72 LYS H H 72 8.414 8.414 7.632 0.782 19155 8782 1 19 . 1 1 73 73 VAL N N 73 123.222 123.222 119.972 3.250 19155 8783 1 19 . 1 1 73 73 VAL HA H 73 3.598 3.598 3.600 -0.002 19155 8784 1 19 . 1 1 73 73 VAL C C 73 176.929 176.929 177.623 -0.694 19155 8785 1 19 . 1 1 73 73 VAL CA C 73 66.975 66.975 67.644 -0.669 19155 8786 1 19 . 1 1 73 73 VAL CB C 73 31.704 31.704 31.838 -0.134 19155 8787 1 19 . 1 1 73 73 VAL H H 73 8.421 8.421 8.434 -0.013 19155 8788 1 19 . 1 1 74 74 ASP N N 74 120.101 120.101 117.982 2.119 19155 8789 1 19 . 1 1 74 74 ASP HA H 74 4.393 4.393 4.507 -0.114 19155 8790 1 19 . 1 1 74 74 ASP C C 74 180.001 180.001 178.429 1.572 19155 8791 1 19 . 1 1 74 74 ASP CA C 74 57.324 57.324 56.483 0.841 19155 8792 1 19 . 1 1 74 74 ASP CB C 74 39.326 39.326 40.899 -1.573 19155 8793 1 19 . 1 1 74 74 ASP H H 74 8.674 8.674 8.491 0.183 19155 8794 1 19 . 1 1 75 75 GLU N N 75 121.349 121.349 121.287 0.062 19155 8795 1 19 . 1 1 75 75 GLU HA H 75 4.113 4.113 4.158 -0.045 19155 8796 1 19 . 1 1 75 75 GLU C C 75 178.732 178.732 178.258 0.474 19155 8797 1 19 . 1 1 75 75 GLU CA C 75 59.083 59.083 59.219 -0.136 19155 8798 1 19 . 1 1 75 75 GLU CB C 75 29.975 29.975 29.544 0.431 19155 8799 1 19 . 1 1 75 75 GLU H H 75 8.475 8.475 7.895 0.580 19155 8800 1 19 . 1 1 76 76 ALA N N 76 124.160 124.160 122.330 1.830 19155 8801 1 19 . 1 1 76 76 ALA HA H 76 4.281 4.281 4.188 0.093 19155 8802 1 19 . 1 1 76 76 ALA C C 76 179.906 179.906 179.882 0.024 19155 8803 1 19 . 1 1 76 76 ALA CA C 76 55.530 55.530 55.225 0.305 19155 8804 1 19 . 1 1 76 76 ALA CB C 76 17.424 17.424 18.349 -0.925 19155 8805 1 19 . 1 1 76 76 ALA H H 76 7.944 7.944 7.873 0.071 19155 8806 1 19 . 1 1 77 77 VAL N N 77 117.439 117.439 117.688 -0.249 19155 8807 1 19 . 1 1 77 77 VAL HA H 77 3.644 3.644 3.514 0.130 19155 8808 1 19 . 1 1 77 77 VAL C C 77 178.784 178.784 177.648 1.136 19155 8809 1 19 . 1 1 77 77 VAL CA C 77 66.958 66.958 66.892 0.066 19155 8810 1 19 . 1 1 77 77 VAL CB C 77 31.807 31.807 31.668 0.139 19155 8811 1 19 . 1 1 77 77 VAL H H 77 8.204 8.204 8.496 -0.292 19155 8812 1 19 . 1 1 78 78 SER N N 78 113.687 113.687 114.713 -1.026 19155 8813 1 19 . 1 1 78 78 SER HA H 78 4.266 4.266 4.350 -0.084 19155 8814 1 19 . 1 1 78 78 SER C C 78 176.762 176.762 176.009 0.753 19155 8815 1 19 . 1 1 78 78 SER CA C 78 61.241 61.241 60.569 0.672 19155 8816 1 19 . 1 1 78 78 SER CB C 78 62.678 62.678 62.901 -0.223 19155 8817 1 19 . 1 1 78 78 SER H H 78 7.935 7.935 7.701 0.234 19155 8818 1 19 . 1 1 79 79 LYS N N 79 121.029 121.029 121.529 -0.500 19155 8819 1 19 . 1 1 79 79 LYS HA H 79 4.070 4.070 4.200 -0.130 19155 8820 1 19 . 1 1 79 79 LYS C C 79 178.135 178.135 179.251 -1.116 19155 8821 1 19 . 1 1 79 79 LYS CA C 79 58.723 58.723 59.048 -0.325 19155 8822 1 19 . 1 1 79 79 LYS CB C 79 32.489 32.489 32.904 -0.415 19155 8823 1 19 . 1 1 79 79 LYS H H 79 7.989 7.989 7.678 0.311 19155 8824 1 19 . 1 1 80 80 PHE N N 80 117.437 117.437 119.152 -1.715 19155 8825 1 19 . 1 1 80 80 PHE HA H 80 4.490 4.490 4.383 0.107 19155 8826 1 19 . 1 1 80 80 PHE C C 80 176.236 176.236 177.441 -1.205 19155 8827 1 19 . 1 1 80 80 PHE CA C 80 59.444 59.444 60.640 -1.196 19155 8828 1 19 . 1 1 80 80 PHE CB C 80 40.032 40.032 39.604 0.428 19155 8829 1 19 . 1 1 80 80 PHE H H 80 7.838 7.838 8.475 -0.637 19155 8830 1 19 . 1 1 81 81 GLU N N 81 120.092 120.092 115.861 4.231 19155 8831 1 19 . 1 1 81 81 GLU HA H 81 4.290 4.290 4.257 0.033 19155 8832 1 19 . 1 1 81 81 GLU C C 81 175.715 175.715 176.228 -0.513 19155 8833 1 19 . 1 1 81 81 GLU CA C 81 56.928 56.928 57.103 -0.175 19155 8834 1 19 . 1 1 81 81 GLU CB C 81 29.997 29.997 29.908 0.089 19155 8835 1 19 . 1 1 81 81 GLU H H 81 7.864 7.864 8.889 -1.025 19155 8836 1 20 . 1 1 2 2 ASP N N 2 119.961 119.961 121.455 -1.494 19155 8837 1 20 . 1 1 2 2 ASP HA H 2 4.440 4.440 4.252 0.188 19155 8838 1 20 . 1 1 2 2 ASP C C 2 178.594 178.594 177.849 0.745 19155 8839 1 20 . 1 1 2 2 ASP CA C 2 57.997 57.997 57.635 0.362 19155 8840 1 20 . 1 1 2 2 ASP CB C 2 40.098 40.098 40.263 -0.165 19155 8841 1 20 . 1 1 2 2 ASP H H 2 8.260 8.260 8.676 -0.416 19155 8842 1 20 . 1 1 3 3 SER N N 3 115.401 115.401 116.866 -1.465 19155 8843 1 20 . 1 1 3 3 SER HA H 3 4.358 4.358 4.218 0.140 19155 8844 1 20 . 1 1 3 3 SER C C 3 177.657 177.657 176.681 0.976 19155 8845 1 20 . 1 1 3 3 SER CA C 3 60.656 60.656 61.749 -1.093 19155 8846 1 20 . 1 1 3 3 SER CB C 3 62.319 62.319 62.489 -0.170 19155 8847 1 20 . 1 1 3 3 SER H H 3 8.112 8.112 8.313 -0.201 19155 8848 1 20 . 1 1 4 4 GLU N N 4 122.287 122.287 122.953 -0.666 19155 8849 1 20 . 1 1 4 4 GLU HA H 4 4.045 4.045 4.042 0.003 19155 8850 1 20 . 1 1 4 4 GLU C C 4 180.035 180.035 178.542 1.493 19155 8851 1 20 . 1 1 4 4 GLU CA C 4 59.072 59.072 58.895 0.177 19155 8852 1 20 . 1 1 4 4 GLU CB C 4 28.538 28.538 29.423 -0.885 19155 8853 1 20 . 1 1 4 4 GLU H H 4 8.472 8.472 7.587 0.885 19155 8854 1 20 . 1 1 5 5 ARG N N 5 121.026 121.026 118.031 2.995 19155 8855 1 20 . 1 1 5 5 ARG HA H 5 3.894 3.894 4.052 -0.158 19155 8856 1 20 . 1 1 5 5 ARG C C 5 178.298 178.298 178.600 -0.302 19155 8857 1 20 . 1 1 5 5 ARG CA C 5 60.564 60.564 59.289 1.275 19155 8858 1 20 . 1 1 5 5 ARG CB C 5 30.681 30.681 29.668 1.013 19155 8859 1 20 . 1 1 5 5 ARG H H 5 8.771 8.771 8.410 0.361 19155 8860 1 20 . 1 1 6 6 ASP N N 6 119.775 119.775 120.659 -0.884 19155 8861 1 20 . 1 1 6 6 ASP HA H 6 4.455 4.455 4.475 -0.020 19155 8862 1 20 . 1 1 6 6 ASP C C 6 178.676 178.676 178.128 0.548 19155 8863 1 20 . 1 1 6 6 ASP CA C 6 57.956 57.956 57.314 0.642 19155 8864 1 20 . 1 1 6 6 ASP CB C 6 40.774 40.774 40.737 0.037 19155 8865 1 20 . 1 1 6 6 ASP H H 6 7.889 7.889 7.806 0.083 19155 8866 1 20 . 1 1 7 7 LYS N N 7 119.937 119.937 119.053 0.884 19155 8867 1 20 . 1 1 7 7 LYS HA H 7 4.014 4.014 4.196 -0.182 19155 8868 1 20 . 1 1 7 7 LYS C C 7 178.977 178.977 178.658 0.319 19155 8869 1 20 . 1 1 7 7 LYS CA C 7 59.793 59.793 58.963 0.830 19155 8870 1 20 . 1 1 7 7 LYS CB C 7 32.850 32.850 32.286 0.564 19155 8871 1 20 . 1 1 7 7 LYS H H 7 7.950 7.950 7.744 0.206 19155 8872 1 20 . 1 1 8 8 ALA N N 8 122.436 122.436 123.163 -0.727 19155 8873 1 20 . 1 1 8 8 ALA HA H 8 4.478 4.478 4.108 0.370 19155 8874 1 20 . 1 1 8 8 ALA C C 8 178.764 178.764 179.321 -0.557 19155 8875 1 20 . 1 1 8 8 ALA CA C 8 55.168 55.168 55.039 0.128 19155 8876 1 20 . 1 1 8 8 ALA CB C 8 19.502 19.502 18.594 0.908 19155 8877 1 20 . 1 1 8 8 ALA H H 8 7.976 7.976 8.703 -0.727 19155 8878 1 20 . 1 1 9 9 ARG N N 9 118.059 118.059 117.488 0.571 19155 8879 1 20 . 1 1 9 9 ARG HA H 9 3.801 3.801 4.041 -0.240 19155 8880 1 20 . 1 1 9 9 ARG C C 9 177.874 177.874 178.422 -0.548 19155 8881 1 20 . 1 1 9 9 ARG CA C 9 59.794 59.794 59.361 0.433 19155 8882 1 20 . 1 1 9 9 ARG CB C 9 29.989 29.989 29.721 0.268 19155 8883 1 20 . 1 1 9 9 ARG H H 9 8.489 8.489 8.238 0.251 19155 8884 1 20 . 1 1 10 10 LYS N N 10 118.064 118.064 119.240 -1.176 19155 8885 1 20 . 1 1 10 10 LYS HA H 10 4.138 4.138 4.135 0.003 19155 8886 1 20 . 1 1 10 10 LYS C C 10 178.619 178.619 179.016 -0.397 19155 8887 1 20 . 1 1 10 10 LYS CA C 10 59.421 59.421 58.965 0.456 19155 8888 1 20 . 1 1 10 10 LYS CB C 10 32.467 32.467 31.943 0.524 19155 8889 1 20 . 1 1 10 10 LYS H H 10 7.833 7.833 7.587 0.246 19155 8890 1 20 . 1 1 11 11 GLU N N 11 118.845 118.845 119.756 -0.911 19155 8891 1 20 . 1 1 11 11 GLU HA H 11 4.107 4.107 4.129 -0.022 19155 8892 1 20 . 1 1 11 11 GLU C C 11 180.137 180.137 179.039 1.098 19155 8893 1 20 . 1 1 11 11 GLU CA C 11 59.803 59.803 59.294 0.509 19155 8894 1 20 . 1 1 11 11 GLU CB C 11 29.248 29.248 29.300 -0.052 19155 8895 1 20 . 1 1 11 11 GLU H H 11 7.991 7.991 8.143 -0.152 19155 8896 1 20 . 1 1 12 12 VAL N N 12 120.562 120.562 116.471 4.091 19155 8897 1 20 . 1 1 12 12 VAL HA H 12 3.851 3.851 3.776 0.075 19155 8898 1 20 . 1 1 12 12 VAL C C 12 178.182 178.182 177.868 0.314 19155 8899 1 20 . 1 1 12 12 VAL CA C 12 66.625 66.625 66.100 0.525 19155 8900 1 20 . 1 1 12 12 VAL CB C 12 31.784 31.784 31.262 0.521 19155 8901 1 20 . 1 1 12 12 VAL H H 12 8.173 8.173 7.598 0.575 19155 8902 1 20 . 1 1 13 13 GLU N N 13 117.912 117.912 121.571 -3.659 19155 8903 1 20 . 1 1 13 13 GLU HA H 13 3.841 3.841 3.923 -0.082 19155 8904 1 20 . 1 1 13 13 GLU C C 13 179.959 179.959 179.034 0.925 19155 8905 1 20 . 1 1 13 13 GLU CA C 13 60.498 60.498 60.419 0.079 19155 8906 1 20 . 1 1 13 13 GLU CB C 13 30.014 30.014 29.401 0.613 19155 8907 1 20 . 1 1 13 13 GLU H H 13 8.624 8.624 8.485 0.139 19155 8908 1 20 . 1 1 14 14 GLU N N 14 117.909 117.909 120.102 -2.193 19155 8909 1 20 . 1 1 14 14 GLU HA H 14 4.025 4.025 4.007 0.018 19155 8910 1 20 . 1 1 14 14 GLU C C 14 179.020 179.020 178.916 0.104 19155 8911 1 20 . 1 1 14 14 GLU CA C 14 59.442 59.442 59.470 -0.028 19155 8912 1 20 . 1 1 14 14 GLU CB C 14 29.257 29.257 29.615 -0.358 19155 8913 1 20 . 1 1 14 14 GLU H H 14 8.904 8.904 8.493 0.411 19155 8914 1 20 . 1 1 15 15 TYR N N 15 122.592 122.592 120.971 1.621 19155 8915 1 20 . 1 1 15 15 TYR HA H 15 4.359 4.359 4.083 0.276 19155 8916 1 20 . 1 1 15 15 TYR C C 15 177.581 177.581 177.830 -0.249 19155 8917 1 20 . 1 1 15 15 TYR CA C 15 62.430 62.430 61.990 0.439 19155 8918 1 20 . 1 1 15 15 TYR CB C 15 38.541 38.541 38.580 -0.039 19155 8919 1 20 . 1 1 15 15 TYR H H 15 8.170 8.170 8.387 -0.217 19155 8920 1 20 . 1 1 16 16 VAL N N 16 116.497 116.497 119.044 -2.547 19155 8921 1 20 . 1 1 16 16 VAL HA H 16 3.386 3.386 3.485 -0.099 19155 8922 1 20 . 1 1 16 16 VAL C C 16 177.221 177.221 178.045 -0.824 19155 8923 1 20 . 1 1 16 16 VAL CA C 16 68.053 68.053 67.083 0.970 19155 8924 1 20 . 1 1 16 16 VAL CB C 16 31.427 31.427 31.127 0.300 19155 8925 1 20 . 1 1 16 16 VAL H H 16 7.953 7.953 8.379 -0.426 19155 8926 1 20 . 1 1 17 17 LYS N N 17 118.530 118.530 119.081 -0.551 19155 8927 1 20 . 1 1 17 17 LYS HA H 17 3.922 3.922 3.968 -0.046 19155 8928 1 20 . 1 1 17 17 LYS C C 17 179.742 179.742 179.021 0.721 19155 8929 1 20 . 1 1 17 17 LYS CA C 17 60.145 60.145 59.963 0.182 19155 8930 1 20 . 1 1 17 17 LYS CB C 17 32.827 32.827 32.160 0.667 19155 8931 1 20 . 1 1 17 17 LYS H H 17 8.274 8.274 8.392 -0.118 19155 8932 1 20 . 1 1 18 18 LYS N N 18 121.031 121.031 120.147 0.884 19155 8933 1 20 . 1 1 18 18 LYS HA H 18 4.018 4.018 4.024 -0.006 19155 8934 1 20 . 1 1 18 18 LYS C C 18 178.962 178.962 178.451 0.511 19155 8935 1 20 . 1 1 18 18 LYS CA C 18 59.085 59.085 59.408 -0.323 19155 8936 1 20 . 1 1 18 18 LYS CB C 18 32.132 32.132 32.343 -0.211 19155 8937 1 20 . 1 1 18 18 LYS H H 18 7.946 7.946 8.125 -0.179 19155 8938 1 20 . 1 1 19 19 ILE N N 19 120.718 120.718 120.206 0.512 19155 8939 1 20 . 1 1 19 19 ILE HA H 19 3.727 3.727 3.694 0.033 19155 8940 1 20 . 1 1 19 19 ILE C C 19 172.120 172.120 178.042 -5.922 19155 8941 1 20 . 1 1 19 19 ILE CA C 19 62.128 62.128 64.124 -1.996 19155 8942 1 20 . 1 1 19 19 ILE CB C 19 35.988 35.988 37.196 -1.208 19155 8943 1 20 . 1 1 19 19 ILE H H 19 7.796 7.796 7.990 -0.194 19155 8944 1 20 . 1 1 20 20 VAL N N 20 124.792 124.792 120.389 4.403 19155 8945 1 20 . 1 1 20 20 VAL HA H 20 3.312 3.312 3.374 -0.062 19155 8946 1 20 . 1 1 20 20 VAL C C 20 177.873 177.873 178.052 -0.179 19155 8947 1 20 . 1 1 20 20 VAL CA C 20 67.738 67.738 66.956 0.782 19155 8948 1 20 . 1 1 20 20 VAL CB C 20 31.772 31.772 31.231 0.541 19155 8949 1 20 . 1 1 20 20 VAL H H 20 9.190 9.190 8.627 0.563 19155 8950 1 20 . 1 1 21 21 GLY N N 21 106.034 106.034 107.092 -1.058 19155 8951 1 20 . 1 1 21 21 GLY C C 21 177.470 177.470 176.099 1.371 19155 8952 1 20 . 1 1 21 21 GLY CA C 21 47.226 47.226 47.241 -0.015 19155 8953 1 20 . 1 1 21 21 GLY H H 21 8.117 8.117 7.676 0.441 19155 8954 1 20 . 1 1 22 22 GLU N N 22 122.282 122.282 121.361 0.921 19155 8955 1 20 . 1 1 22 22 GLU HA H 22 4.104 4.104 4.040 0.064 19155 8956 1 20 . 1 1 22 22 GLU C C 22 178.827 178.827 178.443 0.384 19155 8957 1 20 . 1 1 22 22 GLU CA C 22 59.016 59.016 59.157 -0.141 19155 8958 1 20 . 1 1 22 22 GLU CB C 22 29.619 29.619 29.159 0.460 19155 8959 1 20 . 1 1 22 22 GLU H H 22 8.197 8.197 8.319 -0.122 19155 8960 1 20 . 1 1 23 23 SER N N 23 116.812 116.812 113.309 3.503 19155 8961 1 20 . 1 1 23 23 SER HA H 23 4.201 4.201 4.253 -0.052 19155 8962 1 20 . 1 1 23 23 SER C C 23 177.084 177.084 177.181 -0.097 19155 8963 1 20 . 1 1 23 23 SER CA C 23 61.998 61.998 60.554 1.444 19155 8964 1 20 . 1 1 23 23 SER CB C 23 62.105 62.105 63.226 -1.121 19155 8965 1 20 . 1 1 23 23 SER H H 23 8.285 8.285 7.953 0.332 19155 8966 1 20 . 1 1 24 24 TYR N N 24 120.879 120.879 122.689 -1.810 19155 8967 1 20 . 1 1 24 24 TYR HA H 24 4.396 4.396 4.349 0.047 19155 8968 1 20 . 1 1 24 24 TYR C C 24 178.846 178.846 178.200 0.646 19155 8969 1 20 . 1 1 24 24 TYR CA C 24 61.189 61.189 60.142 1.047 19155 8970 1 20 . 1 1 24 24 TYR CB C 24 37.866 37.866 37.828 0.038 19155 8971 1 20 . 1 1 24 24 TYR H H 24 8.254 8.254 7.661 0.593 19155 8972 1 20 . 1 1 25 25 ALA N N 25 122.124 122.124 120.590 1.534 19155 8973 1 20 . 1 1 25 25 ALA HA H 25 4.251 4.251 4.193 0.058 19155 8974 1 20 . 1 1 25 25 ALA C C 25 178.999 178.999 177.118 1.881 19155 8975 1 20 . 1 1 25 25 ALA CA C 25 54.608 54.608 54.200 0.408 19155 8976 1 20 . 1 1 25 25 ALA CB C 25 18.108 18.108 17.974 0.134 19155 8977 1 20 . 1 1 25 25 ALA H H 25 8.018 8.018 8.482 -0.464 19155 8978 1 20 . 1 1 26 26 LYS N N 26 115.251 115.251 116.268 -1.017 19155 8979 1 20 . 1 1 26 26 LYS HA H 26 4.459 4.459 4.474 -0.015 19155 8980 1 20 . 1 1 26 26 LYS C C 26 176.598 176.598 176.163 0.435 19155 8981 1 20 . 1 1 26 26 LYS CA C 26 56.209 56.209 55.480 0.729 19155 8982 1 20 . 1 1 26 26 LYS CB C 26 33.191 33.191 33.234 -0.043 19155 8983 1 20 . 1 1 26 26 LYS H H 26 7.533 7.533 7.509 0.024 19155 8984 1 20 . 1 1 27 27 SER N N 27 115.400 115.400 117.347 -1.947 19155 8985 1 20 . 1 1 27 27 SER HA H 27 4.332 4.332 4.449 -0.117 19155 8986 1 20 . 1 1 27 27 SER C C 27 174.768 174.768 174.690 0.078 19155 8987 1 20 . 1 1 27 27 SER CA C 27 58.808 58.808 58.989 -0.181 19155 8988 1 20 . 1 1 27 27 SER CB C 27 63.397 63.397 64.170 -0.773 19155 8989 1 20 . 1 1 27 27 SER H H 27 7.570 7.570 7.681 -0.111 19155 8990 1 20 . 1 1 28 28 THR N N 28 114.468 114.468 117.215 -2.747 19155 8991 1 20 . 1 1 28 28 THR HA H 28 4.649 4.649 4.595 0.054 19155 8992 1 20 . 1 1 28 28 THR CA C 28 60.242 60.242 61.182 -0.940 19155 8993 1 20 . 1 1 28 28 THR CB C 28 71.544 71.544 71.816 -0.272 19155 8994 1 20 . 1 1 28 28 THR H H 28 7.725 7.725 8.206 -0.481 19155 8995 1 20 . 1 1 29 29 LYS HA H 29 4.300 4.300 3.893 0.407 19155 8996 1 20 . 1 1 29 29 LYS CA C 29 57.974 57.974 59.965 -1.991 19155 8997 1 20 . 1 1 29 29 LYS CB C 29 32.820 32.820 32.281 0.539 19155 8998 1 20 . 1 1 30 30 LYS HA H 30 4.154 4.154 4.204 -0.050 19155 8999 1 20 . 1 1 30 30 LYS CA C 30 58.725 58.725 57.230 1.495 19155 9000 1 20 . 1 1 31 31 ARG HA H 31 4.533 4.533 4.612 -0.079 19155 9001 1 20 . 1 1 31 31 ARG CA C 31 56.137 56.137 54.653 1.484 19155 9002 1 20 . 1 1 31 31 ARG CB C 31 31.003 31.003 29.645 1.358 19155 9003 1 20 . 1 1 32 32 HIS HA H 32 4.570 4.570 4.219 0.351 19155 9004 1 20 . 1 1 32 32 HIS C C 32 176.136 176.136 176.805 -0.669 19155 9005 1 20 . 1 1 32 32 HIS CA C 32 58.689 58.689 60.609 -1.920 19155 9006 1 20 . 1 1 32 32 HIS CB C 32 30.731 30.731 29.773 0.958 19155 9007 1 20 . 1 1 33 33 THR N N 33 111.162 111.162 115.022 -3.860 19155 9008 1 20 . 1 1 33 33 THR HA H 33 3.976 3.976 4.037 -0.061 19155 9009 1 20 . 1 1 33 33 THR C C 33 176.807 176.807 176.576 0.231 19155 9010 1 20 . 1 1 33 33 THR CA C 33 65.194 65.194 66.197 -1.003 19155 9011 1 20 . 1 1 33 33 THR CB C 33 68.428 68.428 68.521 -0.093 19155 9012 1 20 . 1 1 33 33 THR H H 33 8.355 8.355 8.407 -0.052 19155 9013 1 20 . 1 1 34 34 ILE N N 34 123.220 123.220 121.590 1.630 19155 9014 1 20 . 1 1 34 34 ILE HA H 34 4.047 4.047 3.825 0.222 19155 9015 1 20 . 1 1 34 34 ILE C C 34 176.944 176.944 177.398 -0.454 19155 9016 1 20 . 1 1 34 34 ILE CA C 34 63.746 63.746 64.488 -0.742 19155 9017 1 20 . 1 1 34 34 ILE CB C 34 37.905 37.905 37.789 0.116 19155 9018 1 20 . 1 1 34 34 ILE H H 34 7.824 7.824 8.114 -0.290 19155 9019 1 20 . 1 1 35 35 THR N N 35 118.694 118.694 116.789 1.905 19155 9020 1 20 . 1 1 35 35 THR HA H 35 4.103 4.103 3.855 0.248 19155 9021 1 20 . 1 1 35 35 THR C C 35 175.385 175.385 176.393 -1.008 19155 9022 1 20 . 1 1 35 35 THR CA C 35 63.339 63.339 65.535 -2.196 19155 9023 1 20 . 1 1 35 35 THR CB C 35 68.428 68.428 67.964 0.464 19155 9024 1 20 . 1 1 35 35 THR H H 35 8.053 8.053 7.603 0.450 19155 9025 1 20 . 1 1 36 36 VAL N N 36 120.252 120.252 122.771 -2.519 19155 9026 1 20 . 1 1 36 36 VAL HA H 36 3.494 3.494 3.480 0.014 19155 9027 1 20 . 1 1 36 36 VAL C C 36 177.667 177.667 177.265 0.402 19155 9028 1 20 . 1 1 36 36 VAL CA C 36 66.312 66.312 66.833 -0.521 19155 9029 1 20 . 1 1 36 36 VAL CB C 36 31.787 31.787 30.910 0.877 19155 9030 1 20 . 1 1 36 36 VAL H H 36 8.148 8.148 8.017 0.131 19155 9031 1 20 . 1 1 37 37 ALA N N 37 121.815 121.815 121.775 0.040 19155 9032 1 20 . 1 1 37 37 ALA HA H 37 4.168 4.168 3.988 0.180 19155 9033 1 20 . 1 1 37 37 ALA C C 37 180.404 180.404 179.381 1.023 19155 9034 1 20 . 1 1 37 37 ALA CA C 37 55.062 55.062 54.910 0.152 19155 9035 1 20 . 1 1 37 37 ALA CB C 37 18.114 18.114 18.175 -0.061 19155 9036 1 20 . 1 1 37 37 ALA H H 37 7.526 7.526 7.633 -0.107 19155 9037 1 20 . 1 1 38 38 LEU N N 38 122.124 122.124 119.377 2.747 19155 9038 1 20 . 1 1 38 38 LEU HA H 38 3.574 3.574 3.542 0.032 19155 9039 1 20 . 1 1 38 38 LEU C C 38 177.815 177.815 178.309 -0.494 19155 9040 1 20 . 1 1 38 38 LEU CA C 38 57.671 57.671 57.263 0.408 19155 9041 1 20 . 1 1 38 38 LEU CB C 38 40.383 40.383 41.582 -1.199 19155 9042 1 20 . 1 1 38 38 LEU H H 38 7.987 7.987 7.602 0.385 19155 9043 1 20 . 1 1 39 39 VAL N N 39 119.627 119.627 120.041 -0.414 19155 9044 1 20 . 1 1 39 39 VAL HA H 39 3.295 3.295 3.472 -0.177 19155 9045 1 20 . 1 1 39 39 VAL C C 39 178.084 178.084 178.114 -0.030 19155 9046 1 20 . 1 1 39 39 VAL CA C 39 67.710 67.710 66.693 1.017 19155 9047 1 20 . 1 1 39 39 VAL CB C 39 31.393 31.393 30.433 0.960 19155 9048 1 20 . 1 1 39 39 VAL H H 39 8.410 8.410 8.458 -0.048 19155 9049 1 20 . 1 1 40 40 ASN N N 40 117.904 117.904 117.700 0.204 19155 9050 1 20 . 1 1 40 40 ASN HA H 40 4.528 4.528 4.420 0.108 19155 9051 1 20 . 1 1 40 40 ASN C C 40 177.814 177.814 177.303 0.511 19155 9052 1 20 . 1 1 40 40 ASN CA C 40 56.214 56.214 56.086 0.129 19155 9053 1 20 . 1 1 40 40 ASN CB C 40 37.990 37.990 37.973 0.017 19155 9054 1 20 . 1 1 40 40 ASN H H 40 8.211 8.211 8.398 -0.187 19155 9055 1 20 . 1 1 41 41 GLU N N 41 122.117 122.117 120.267 1.850 19155 9056 1 20 . 1 1 41 41 GLU HA H 41 4.330 4.330 4.332 -0.002 19155 9057 1 20 . 1 1 41 41 GLU C C 41 179.186 179.186 178.244 0.942 19155 9058 1 20 . 1 1 41 41 GLU CA C 41 59.444 59.444 58.188 1.256 19155 9059 1 20 . 1 1 41 41 GLU CB C 41 28.935 28.935 29.844 -0.909 19155 9060 1 20 . 1 1 41 41 GLU H H 41 7.895 7.895 7.372 0.523 19155 9061 1 20 . 1 1 42 42 LEU N N 42 118.997 118.997 119.854 -0.857 19155 9062 1 20 . 1 1 42 42 LEU HA H 42 4.036 4.036 3.859 0.177 19155 9063 1 20 . 1 1 42 42 LEU C C 42 179.072 179.072 178.800 0.272 19155 9064 1 20 . 1 1 42 42 LEU CA C 42 58.028 58.028 58.797 -0.769 19155 9065 1 20 . 1 1 42 42 LEU CB C 42 41.053 41.053 41.762 -0.709 19155 9066 1 20 . 1 1 42 42 LEU H H 42 8.915 8.915 8.540 0.375 19155 9067 1 20 . 1 1 43 43 ASN N N 43 117.439 117.439 115.708 1.731 19155 9068 1 20 . 1 1 43 43 ASN HA H 43 4.560 4.560 4.403 0.157 19155 9069 1 20 . 1 1 43 43 ASN C C 43 177.692 177.692 176.890 0.802 19155 9070 1 20 . 1 1 43 43 ASN CA C 43 56.224 56.224 56.096 0.128 19155 9071 1 20 . 1 1 43 43 ASN CB C 43 38.241 38.241 38.127 0.114 19155 9072 1 20 . 1 1 43 43 ASN H H 43 8.436 8.436 8.448 -0.012 19155 9073 1 20 . 1 1 44 44 ASN N N 44 121.188 121.188 119.371 1.817 19155 9074 1 20 . 1 1 44 44 ASN HA H 44 4.647 4.647 4.570 0.077 19155 9075 1 20 . 1 1 44 44 ASN C C 44 178.704 178.704 177.393 1.311 19155 9076 1 20 . 1 1 44 44 ASN CA C 44 56.233 56.233 55.912 0.321 19155 9077 1 20 . 1 1 44 44 ASN CB C 44 37.466 37.466 38.663 -1.197 19155 9078 1 20 . 1 1 44 44 ASN H H 44 8.079 8.079 7.838 0.241 19155 9079 1 20 . 1 1 45 45 ILE N N 45 124.315 124.315 120.952 3.363 19155 9080 1 20 . 1 1 45 45 ILE HA H 45 3.985 3.985 3.724 0.261 19155 9081 1 20 . 1 1 45 45 ILE C C 45 177.925 177.925 178.020 -0.095 19155 9082 1 20 . 1 1 45 45 ILE CA C 45 65.578 65.578 65.700 -0.122 19155 9083 1 20 . 1 1 45 45 ILE CB C 45 38.903 38.903 37.557 1.346 19155 9084 1 20 . 1 1 45 45 ILE H H 45 8.533 8.533 8.592 -0.059 19155 9085 1 20 . 1 1 46 46 LYS N N 46 119.624 119.624 120.661 -1.037 19155 9086 1 20 . 1 1 46 46 LYS HA H 46 3.743 3.743 3.906 -0.163 19155 9087 1 20 . 1 1 46 46 LYS C C 46 177.699 177.699 178.991 -1.292 19155 9088 1 20 . 1 1 46 46 LYS CA C 46 60.161 60.161 60.439 -0.278 19155 9089 1 20 . 1 1 46 46 LYS CB C 46 31.420 31.420 32.322 -0.902 19155 9090 1 20 . 1 1 46 46 LYS H H 46 8.660 8.660 7.950 0.710 19155 9091 1 20 . 1 1 47 47 ASN N N 47 116.034 116.034 117.894 -1.860 19155 9092 1 20 . 1 1 47 47 ASN HA H 47 4.468 4.468 4.431 0.037 19155 9093 1 20 . 1 1 47 47 ASN C C 47 177.768 177.768 177.619 0.149 19155 9094 1 20 . 1 1 47 47 ASN CA C 47 56.538 56.538 56.186 0.352 19155 9095 1 20 . 1 1 47 47 ASN CB C 47 37.882 37.882 37.940 -0.058 19155 9096 1 20 . 1 1 47 47 ASN H H 47 8.344 8.344 8.461 -0.117 19155 9097 1 20 . 1 1 48 48 GLU N N 48 121.665 121.665 121.132 0.533 19155 9098 1 20 . 1 1 48 48 GLU HA H 48 4.044 4.044 3.969 0.075 19155 9099 1 20 . 1 1 48 48 GLU C C 48 179.915 179.915 179.049 0.866 19155 9100 1 20 . 1 1 48 48 GLU CA C 48 59.444 59.444 59.723 -0.279 19155 9101 1 20 . 1 1 48 48 GLU CB C 48 29.230 29.230 29.781 -0.551 19155 9102 1 20 . 1 1 48 48 GLU H H 48 8.301 8.301 8.497 -0.196 19155 9103 1 20 . 1 1 49 49 TYR N N 49 117.600 117.600 118.577 -0.977 19155 9104 1 20 . 1 1 49 49 TYR HA H 49 3.992 3.992 4.377 -0.385 19155 9105 1 20 . 1 1 49 49 TYR C C 49 178.275 178.275 178.132 0.143 19155 9106 1 20 . 1 1 49 49 TYR CA C 49 64.508 64.508 61.183 3.325 19155 9107 1 20 . 1 1 49 49 TYR CB C 49 37.881 37.881 38.631 -0.750 19155 9108 1 20 . 1 1 49 49 TYR H H 49 8.581 8.581 8.618 -0.037 19155 9109 1 20 . 1 1 50 50 LEU N N 50 122.126 122.126 121.227 0.899 19155 9110 1 20 . 1 1 50 50 LEU HA H 50 4.181 4.181 3.792 0.389 19155 9111 1 20 . 1 1 50 50 LEU C C 50 180.089 180.089 178.772 1.317 19155 9112 1 20 . 1 1 50 50 LEU CA C 50 59.061 59.061 58.831 0.230 19155 9113 1 20 . 1 1 50 50 LEU CB C 50 40.096 40.096 41.564 -1.468 19155 9114 1 20 . 1 1 50 50 LEU H H 50 9.207 9.207 8.763 0.444 19155 9115 1 20 . 1 1 51 51 ASN N N 51 117.124 117.124 116.966 0.158 19155 9116 1 20 . 1 1 51 51 ASN HA H 51 4.535 4.535 4.411 0.124 19155 9117 1 20 . 1 1 51 51 ASN C C 51 177.522 177.522 177.587 -0.065 19155 9118 1 20 . 1 1 51 51 ASN CA C 51 56.240 56.240 56.448 -0.208 19155 9119 1 20 . 1 1 51 51 ASN CB C 51 37.898 37.898 38.579 -0.681 19155 9120 1 20 . 1 1 51 51 ASN H H 51 7.634 7.634 8.263 -0.629 19155 9121 1 20 . 1 1 52 52 LYS N N 52 119.154 119.154 119.188 -0.034 19155 9122 1 20 . 1 1 52 52 LYS HA H 52 4.037 4.037 3.978 0.059 19155 9123 1 20 . 1 1 52 52 LYS C C 52 179.905 179.905 178.055 1.850 19155 9124 1 20 . 1 1 52 52 LYS CA C 52 59.803 59.803 59.253 0.550 19155 9125 1 20 . 1 1 52 52 LYS CB C 52 33.215 33.215 32.361 0.854 19155 9126 1 20 . 1 1 52 52 LYS H H 52 7.663 7.663 7.597 0.066 19155 9127 1 20 . 1 1 53 53 ILE N N 53 121.662 121.662 118.603 3.059 19155 9128 1 20 . 1 1 53 53 ILE HA H 53 3.532 3.532 3.729 -0.197 19155 9129 1 20 . 1 1 53 53 ILE C C 53 178.489 178.489 178.016 0.473 19155 9130 1 20 . 1 1 53 53 ILE CA C 53 65.906 65.906 64.883 1.023 19155 9131 1 20 . 1 1 53 53 ILE CB C 53 38.249 38.249 38.252 -0.003 19155 9132 1 20 . 1 1 53 53 ILE H H 53 8.493 8.493 8.251 0.242 19155 9133 1 20 . 1 1 54 54 VAL N N 54 119.477 119.477 120.056 -0.579 19155 9134 1 20 . 1 1 54 54 VAL HA H 54 3.647 3.647 3.793 -0.146 19155 9135 1 20 . 1 1 54 54 VAL C C 54 176.683 176.683 177.148 -0.465 19155 9136 1 20 . 1 1 54 54 VAL CA C 54 66.643 66.643 65.154 1.489 19155 9137 1 20 . 1 1 54 54 VAL CB C 54 31.448 31.448 31.464 -0.016 19155 9138 1 20 . 1 1 54 54 VAL H H 54 7.598 7.598 7.792 -0.194 19155 9139 1 20 . 1 1 55 55 GLU N N 55 114.467 114.467 118.260 -3.793 19155 9140 1 20 . 1 1 55 55 GLU HA H 55 4.281 4.281 4.223 0.058 19155 9141 1 20 . 1 1 55 55 GLU C C 55 176.914 176.914 177.906 -0.992 19155 9142 1 20 . 1 1 55 55 GLU CA C 55 56.195 56.195 57.252 -1.057 19155 9143 1 20 . 1 1 55 55 GLU CB C 55 30.354 30.354 29.379 0.975 19155 9144 1 20 . 1 1 55 55 GLU H H 55 7.064 7.064 7.539 -0.475 19155 9145 1 20 . 1 1 56 56 SER N N 56 116.806 116.806 114.842 1.964 19155 9146 1 20 . 1 1 56 56 SER HA H 56 4.435 4.435 4.247 0.188 19155 9147 1 20 . 1 1 56 56 SER C C 56 175.566 175.566 176.004 -0.438 19155 9148 1 20 . 1 1 56 56 SER CA C 56 60.163 60.163 60.706 -0.544 19155 9149 1 20 . 1 1 56 56 SER CB C 56 64.439 64.439 63.167 1.272 19155 9150 1 20 . 1 1 56 56 SER H H 56 7.504 7.504 7.441 0.063 19155 9151 1 20 . 1 1 57 57 THR N N 57 111.347 111.347 110.224 1.123 19155 9152 1 20 . 1 1 57 57 THR HA H 57 4.539 4.539 3.872 0.667 19155 9153 1 20 . 1 1 57 57 THR C C 57 174.424 174.424 174.208 0.216 19155 9154 1 20 . 1 1 57 57 THR CA C 57 61.518 61.518 63.835 -2.317 19155 9155 1 20 . 1 1 57 57 THR CB C 57 70.377 70.377 67.905 2.472 19155 9156 1 20 . 1 1 57 57 THR H H 57 9.083 9.083 8.562 0.521 19155 9157 1 20 . 1 1 58 58 SER N N 58 115.415 115.415 117.232 -1.817 19155 9158 1 20 . 1 1 58 58 SER HA H 58 5.059 5.059 4.668 0.391 19155 9159 1 20 . 1 1 58 58 SER C C 58 174.278 174.278 174.944 -0.666 19155 9160 1 20 . 1 1 58 58 SER CA C 58 56.928 56.928 56.169 0.759 19155 9161 1 20 . 1 1 58 58 SER CB C 58 66.570 66.570 65.300 1.270 19155 9162 1 20 . 1 1 58 58 SER H H 58 7.689 7.689 7.852 -0.163 19155 9163 1 20 . 1 1 59 59 GLU N N 59 124.305 124.305 128.195 -3.890 19155 9164 1 20 . 1 1 59 59 GLU HA H 59 3.990 3.990 4.075 -0.085 19155 9165 1 20 . 1 1 59 59 GLU C C 59 179.113 179.113 177.994 1.119 19155 9166 1 20 . 1 1 59 59 GLU CA C 59 60.159 60.159 59.895 0.264 19155 9167 1 20 . 1 1 59 59 GLU CB C 59 29.616 29.616 29.644 -0.028 19155 9168 1 20 . 1 1 59 59 GLU H H 59 9.719 9.719 9.158 0.561 19155 9169 1 20 . 1 1 60 60 SER N N 60 115.406 115.406 113.429 1.977 19155 9170 1 20 . 1 1 60 60 SER HA H 60 4.249 4.249 4.609 -0.360 19155 9171 1 20 . 1 1 60 60 SER C C 60 177.307 177.307 175.528 1.779 19155 9172 1 20 . 1 1 60 60 SER CA C 60 61.259 61.259 59.646 1.613 19155 9173 1 20 . 1 1 60 60 SER CB C 60 61.960 61.960 63.223 -1.263 19155 9174 1 20 . 1 1 60 60 SER H H 60 8.614 8.614 7.898 0.716 19155 9175 1 20 . 1 1 61 61 GLN N N 61 121.656 121.656 122.225 -0.569 19155 9176 1 20 . 1 1 61 61 GLN HA H 61 4.107 4.107 4.285 -0.178 19155 9177 1 20 . 1 1 61 61 GLN C C 61 178.777 178.777 177.176 1.601 19155 9178 1 20 . 1 1 61 61 GLN CA C 61 58.743 58.743 57.804 0.939 19155 9179 1 20 . 1 1 61 61 GLN CB C 61 28.900 28.900 28.792 0.108 19155 9180 1 20 . 1 1 61 61 GLN H H 61 7.669 7.669 7.424 0.245 19155 9181 1 20 . 1 1 62 62 LEU N N 62 118.689 118.689 120.777 -2.088 19155 9182 1 20 . 1 1 62 62 LEU HA H 62 4.035 4.035 3.911 0.124 19155 9183 1 20 . 1 1 62 62 LEU C C 62 178.363 178.363 179.019 -0.656 19155 9184 1 20 . 1 1 62 62 LEU CA C 62 58.725 58.725 58.099 0.626 19155 9185 1 20 . 1 1 62 62 LEU CB C 62 41.836 41.836 41.829 0.007 19155 9186 1 20 . 1 1 62 62 LEU H H 62 7.736 7.736 8.468 -0.732 19155 9187 1 20 . 1 1 63 63 GLN N N 63 117.441 117.441 117.197 0.244 19155 9188 1 20 . 1 1 63 63 GLN HA H 63 4.078 4.078 4.048 0.030 19155 9189 1 20 . 1 1 63 63 GLN C C 63 179.312 179.312 178.259 1.053 19155 9190 1 20 . 1 1 63 63 GLN CA C 63 59.062 59.062 58.452 0.610 19155 9191 1 20 . 1 1 63 63 GLN CB C 63 27.819 27.819 28.535 -0.716 19155 9192 1 20 . 1 1 63 63 GLN H H 63 7.943 7.943 7.957 -0.014 19155 9193 1 20 . 1 1 64 64 ILE N N 64 120.406 120.406 120.130 0.276 19155 9194 1 20 . 1 1 64 64 ILE HA H 64 3.809 3.809 4.083 -0.274 19155 9195 1 20 . 1 1 64 64 ILE C C 64 178.734 178.734 177.423 1.311 19155 9196 1 20 . 1 1 64 64 ILE CA C 64 64.722 64.722 60.992 3.730 19155 9197 1 20 . 1 1 64 64 ILE CB C 64 37.971 37.971 37.392 0.579 19155 9198 1 20 . 1 1 64 64 ILE H H 64 7.544 7.544 7.860 -0.316 19155 9199 1 20 . 1 1 65 65 LEU N N 65 120.247 120.247 121.560 -1.313 19155 9200 1 20 . 1 1 65 65 LEU HA H 65 4.212 4.212 4.065 0.147 19155 9201 1 20 . 1 1 65 65 LEU C C 65 179.685 179.685 179.436 0.249 19155 9202 1 20 . 1 1 65 65 LEU CA C 65 58.004 58.004 58.360 -0.356 19155 9203 1 20 . 1 1 65 65 LEU CB C 65 42.553 42.553 40.438 2.115 19155 9204 1 20 . 1 1 65 65 LEU H H 65 8.361 8.361 7.863 0.498 19155 9205 1 20 . 1 1 66 66 MET N N 66 118.685 118.685 117.342 1.343 19155 9206 1 20 . 1 1 66 66 MET HA H 66 3.918 3.918 3.978 -0.060 19155 9207 1 20 . 1 1 66 66 MET C C 66 178.906 178.906 178.713 0.193 19155 9208 1 20 . 1 1 66 66 MET CA C 66 59.467 59.467 59.716 -0.249 19155 9209 1 20 . 1 1 66 66 MET CB C 66 33.519 33.519 32.260 1.259 19155 9210 1 20 . 1 1 66 66 MET H H 66 8.458 8.458 7.508 0.950 19155 9211 1 20 . 1 1 67 67 MET N N 67 118.685 118.685 118.315 0.370 19155 9212 1 20 . 1 1 67 67 MET HA H 67 4.098 4.098 3.987 0.111 19155 9213 1 20 . 1 1 67 67 MET C C 67 178.781 178.781 178.643 0.138 19155 9214 1 20 . 1 1 67 67 MET CA C 67 58.379 58.379 58.948 -0.569 19155 9215 1 20 . 1 1 67 67 MET CB C 67 32.031 32.031 32.224 -0.193 19155 9216 1 20 . 1 1 67 67 MET H H 67 7.559 7.559 7.762 -0.203 19155 9217 1 20 . 1 1 68 68 GLU N N 68 122.128 122.128 119.492 2.636 19155 9218 1 20 . 1 1 68 68 GLU HA H 68 3.990 3.990 3.989 0.001 19155 9219 1 20 . 1 1 68 68 GLU C C 68 178.803 178.803 178.694 0.109 19155 9220 1 20 . 1 1 68 68 GLU CA C 68 59.459 59.459 59.762 -0.303 19155 9221 1 20 . 1 1 68 68 GLU CB C 68 30.706 30.706 29.327 1.379 19155 9222 1 20 . 1 1 68 68 GLU H H 68 8.895 8.895 8.680 0.215 19155 9223 1 20 . 1 1 69 69 SER N N 69 114.769 114.769 115.415 -0.646 19155 9224 1 20 . 1 1 69 69 SER HA H 69 2.872 2.872 3.306 -0.434 19155 9225 1 20 . 1 1 69 69 SER C C 69 175.801 175.801 176.253 -0.452 19155 9226 1 20 . 1 1 69 69 SER CA C 69 62.000 62.000 61.258 0.742 19155 9227 1 20 . 1 1 69 69 SER CB C 69 62.282 62.282 62.474 -0.192 19155 9228 1 20 . 1 1 69 69 SER H H 69 8.161 8.161 8.234 -0.073 19155 9229 1 20 . 1 1 70 70 ARG N N 70 120.552 120.552 120.728 -0.176 19155 9230 1 20 . 1 1 70 70 ARG HA H 70 3.744 3.744 3.471 0.273 19155 9231 1 20 . 1 1 70 70 ARG C C 70 177.654 177.654 178.269 -0.615 19155 9232 1 20 . 1 1 70 70 ARG CA C 70 59.793 59.793 59.349 0.444 19155 9233 1 20 . 1 1 70 70 ARG CB C 70 29.974 29.974 29.670 0.304 19155 9234 1 20 . 1 1 70 70 ARG H H 70 6.945 6.945 7.990 -1.045 19155 9235 1 20 . 1 1 71 71 SER N N 71 113.064 113.064 115.033 -1.969 19155 9236 1 20 . 1 1 71 71 SER HA H 71 4.275 4.275 4.055 0.220 19155 9237 1 20 . 1 1 71 71 SER C C 71 177.491 177.491 176.239 1.252 19155 9238 1 20 . 1 1 71 71 SER CA C 71 61.571 61.571 62.075 -0.504 19155 9239 1 20 . 1 1 71 71 SER CB C 71 62.710 62.710 62.904 -0.194 19155 9240 1 20 . 1 1 71 71 SER H H 71 7.721 7.721 8.278 -0.557 19155 9241 1 20 . 1 1 72 72 LYS N N 72 121.657 121.657 121.666 -0.009 19155 9242 1 20 . 1 1 72 72 LYS HA H 72 4.170 4.170 3.977 0.193 19155 9243 1 20 . 1 1 72 72 LYS C C 72 180.429 180.429 179.325 1.104 19155 9244 1 20 . 1 1 72 72 LYS CA C 72 58.725 58.725 59.410 -0.685 19155 9245 1 20 . 1 1 72 72 LYS CB C 72 32.131 32.131 32.459 -0.328 19155 9246 1 20 . 1 1 72 72 LYS H H 72 8.414 8.414 7.790 0.624 19155 9247 1 20 . 1 1 73 73 VAL N N 73 123.222 123.222 120.063 3.159 19155 9248 1 20 . 1 1 73 73 VAL HA H 73 3.598 3.598 3.525 0.073 19155 9249 1 20 . 1 1 73 73 VAL C C 73 176.929 176.929 177.170 -0.241 19155 9250 1 20 . 1 1 73 73 VAL CA C 73 66.975 66.975 67.412 -0.437 19155 9251 1 20 . 1 1 73 73 VAL CB C 73 31.704 31.704 31.904 -0.200 19155 9252 1 20 . 1 1 73 73 VAL H H 73 8.421 8.421 8.456 -0.035 19155 9253 1 20 . 1 1 74 74 ASP N N 74 120.101 120.101 120.215 -0.114 19155 9254 1 20 . 1 1 74 74 ASP HA H 74 4.393 4.393 4.325 0.068 19155 9255 1 20 . 1 1 74 74 ASP C C 74 180.001 180.001 178.166 1.835 19155 9256 1 20 . 1 1 74 74 ASP CA C 74 57.324 57.324 58.270 -0.946 19155 9257 1 20 . 1 1 74 74 ASP CB C 74 39.326 39.326 40.998 -1.672 19155 9258 1 20 . 1 1 74 74 ASP H H 74 8.674 8.674 8.193 0.481 19155 9259 1 20 . 1 1 75 75 GLU N N 75 121.349 121.349 119.831 1.518 19155 9260 1 20 . 1 1 75 75 GLU HA H 75 4.113 4.113 4.010 0.103 19155 9261 1 20 . 1 1 75 75 GLU C C 75 178.732 178.732 178.793 -0.061 19155 9262 1 20 . 1 1 75 75 GLU CA C 75 59.083 59.083 59.281 -0.198 19155 9263 1 20 . 1 1 75 75 GLU CB C 75 29.975 29.975 29.714 0.261 19155 9264 1 20 . 1 1 75 75 GLU H H 75 8.475 8.475 8.430 0.045 19155 9265 1 20 . 1 1 76 76 ALA N N 76 124.160 124.160 122.236 1.924 19155 9266 1 20 . 1 1 76 76 ALA HA H 76 4.281 4.281 4.086 0.195 19155 9267 1 20 . 1 1 76 76 ALA C C 76 179.906 179.906 179.674 0.232 19155 9268 1 20 . 1 1 76 76 ALA CA C 76 55.530 55.530 55.272 0.258 19155 9269 1 20 . 1 1 76 76 ALA CB C 76 17.424 17.424 18.602 -1.177 19155 9270 1 20 . 1 1 76 76 ALA H H 76 7.944 7.944 7.916 0.028 19155 9271 1 20 . 1 1 77 77 VAL N N 77 117.439 117.439 118.848 -1.409 19155 9272 1 20 . 1 1 77 77 VAL HA H 77 3.644 3.644 3.639 0.005 19155 9273 1 20 . 1 1 77 77 VAL C C 77 178.784 178.784 178.027 0.757 19155 9274 1 20 . 1 1 77 77 VAL CA C 77 66.958 66.958 66.535 0.423 19155 9275 1 20 . 1 1 77 77 VAL CB C 77 31.807 31.807 30.799 1.008 19155 9276 1 20 . 1 1 77 77 VAL H H 77 8.204 8.204 7.922 0.282 19155 9277 1 20 . 1 1 78 78 SER N N 78 113.687 113.687 114.260 -0.573 19155 9278 1 20 . 1 1 78 78 SER HA H 78 4.266 4.266 4.128 0.138 19155 9279 1 20 . 1 1 78 78 SER C C 78 176.762 176.762 176.808 -0.046 19155 9280 1 20 . 1 1 78 78 SER CA C 78 61.241 61.241 61.471 -0.230 19155 9281 1 20 . 1 1 78 78 SER CB C 78 62.678 62.678 62.818 -0.140 19155 9282 1 20 . 1 1 78 78 SER H H 78 7.935 7.935 8.660 -0.725 19155 9283 1 20 . 1 1 79 79 LYS N N 79 121.029 121.029 121.636 -0.607 19155 9284 1 20 . 1 1 79 79 LYS HA H 79 4.070 4.070 4.032 0.038 19155 9285 1 20 . 1 1 79 79 LYS C C 79 178.135 178.135 178.640 -0.505 19155 9286 1 20 . 1 1 79 79 LYS CA C 79 58.723 58.723 58.797 -0.074 19155 9287 1 20 . 1 1 79 79 LYS CB C 79 32.489 32.489 32.178 0.311 19155 9288 1 20 . 1 1 79 79 LYS H H 79 7.989 7.989 7.748 0.241 19155 9289 1 20 . 1 1 80 80 PHE N N 80 117.437 117.437 117.587 -0.150 19155 9290 1 20 . 1 1 80 80 PHE HA H 80 4.490 4.490 4.467 0.023 19155 9291 1 20 . 1 1 80 80 PHE C C 80 176.236 176.236 177.560 -1.324 19155 9292 1 20 . 1 1 80 80 PHE CA C 80 59.444 59.444 60.426 -0.982 19155 9293 1 20 . 1 1 80 80 PHE CB C 80 40.032 40.032 39.742 0.290 19155 9294 1 20 . 1 1 80 80 PHE H H 80 7.838 7.838 7.784 0.054 19155 9295 1 20 . 1 1 81 81 GLU N N 81 120.092 120.092 118.413 1.679 19155 9296 1 20 . 1 1 81 81 GLU HA H 81 4.290 4.290 4.176 0.114 19155 9297 1 20 . 1 1 81 81 GLU C C 81 175.715 175.715 176.795 -1.080 19155 9298 1 20 . 1 1 81 81 GLU CA C 81 56.928 56.928 57.596 -0.668 19155 9299 1 20 . 1 1 81 81 GLU CB C 81 29.997 29.997 29.401 0.596 19155 9300 1 20 . 1 1 81 81 GLU H H 81 7.864 7.864 8.441 -0.577 19155 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 76 2.144 -0.057 2.158 19155 2 1 1 "Average Difference" HA 81 0.180 -0.032 0.178 19155 3 1 1 "Average Difference" C 76 1.109 -0.240 1.090 19155 4 1 1 "Average Difference" CA 80 1.068 -0.208 1.054 19155 5 1 1 "Average Difference" CB 78 0.817 -0.041 0.822 19155 6 1 1 "Average Difference" HN 76 0.389 -0.039 0.390 19155 7 1 2 "Average Difference" N 76 2.044 -0.053 2.057 19155 8 1 2 "Average Difference" HA 81 0.185 -0.027 0.184 19155 9 1 2 "Average Difference" C 76 1.135 -0.281 1.107 19155 10 1 2 "Average Difference" CA 80 0.910 -0.201 0.893 19155 11 1 2 "Average Difference" CB 78 0.756 -0.012 0.760 19155 12 1 2 "Average Difference" HN 76 0.431 -0.036 0.433 19155 13 1 3 "Average Difference" N 76 2.181 -0.038 2.195 19155 14 1 3 "Average Difference" HA 81 0.190 -0.013 0.191 19155 15 1 3 "Average Difference" C 76 1.084 -0.226 1.067 19155 16 1 3 "Average Difference" CA 80 0.996 -0.228 0.976 19155 17 1 3 "Average Difference" CB 78 0.830 -0.052 0.834 19155 18 1 3 "Average Difference" HN 76 0.408 0.001 0.411 19155 19 1 4 "Average Difference" N 76 1.941 0.057 1.953 19155 20 1 4 "Average Difference" HA 81 0.184 -0.040 0.181 19155 21 1 4 "Average Difference" C 76 1.066 -0.220 1.050 19155 22 1 4 "Average Difference" CA 80 0.959 -0.097 0.960 19155 23 1 4 "Average Difference" CB 78 0.697 -0.061 0.699 19155 24 1 4 "Average Difference" HN 76 0.414 -0.043 0.414 19155 25 1 5 "Average Difference" N 76 2.100 0.007 2.114 19155 26 1 5 "Average Difference" HA 81 0.178 -0.011 0.179 19155 27 1 5 "Average Difference" C 76 1.088 -0.207 1.075 19155 28 1 5 "Average Difference" CA 80 0.995 -0.220 0.976 19155 29 1 5 "Average Difference" CB 78 0.799 -0.082 0.800 19155 30 1 5 "Average Difference" HN 76 0.426 -0.036 0.427 19155 31 1 6 "Average Difference" N 76 2.086 -0.070 2.099 19155 32 1 6 "Average Difference" HA 81 0.190 -0.021 0.190 19155 33 1 6 "Average Difference" C 76 1.037 -0.263 1.010 19155 34 1 6 "Average Difference" CA 80 1.084 -0.275 1.056 19155 35 1 6 "Average Difference" CB 78 0.826 -0.056 0.829 19155 36 1 6 "Average Difference" HN 76 0.437 -0.036 0.439 19155 37 1 7 "Average Difference" N 76 2.184 0.094 2.197 19155 38 1 7 "Average Difference" HA 81 0.178 -0.028 0.177 19155 39 1 7 "Average Difference" C 76 1.106 -0.208 1.094 19155 40 1 7 "Average Difference" CA 80 0.969 -0.161 0.962 19155 41 1 7 "Average Difference" CB 78 0.812 -0.082 0.814 19155 42 1 7 "Average Difference" HN 76 0.417 0.018 0.420 19155 43 1 8 "Average Difference" N 76 2.136 -0.036 2.150 19155 44 1 8 "Average Difference" HA 81 0.210 -0.023 0.210 19155 45 1 8 "Average Difference" C 76 1.121 -0.256 1.098 19155 46 1 8 "Average Difference" CA 80 1.011 -0.198 0.998 19155 47 1 8 "Average Difference" CB 78 0.799 -0.062 0.801 19155 48 1 8 "Average Difference" HN 76 0.418 -0.041 0.419 19155 49 1 9 "Average Difference" N 76 1.919 -0.124 1.928 19155 50 1 9 "Average Difference" HA 81 0.198 -0.031 0.196 19155 51 1 9 "Average Difference" C 76 1.033 -0.190 1.022 19155 52 1 9 "Average Difference" CA 80 0.952 -0.142 0.947 19155 53 1 9 "Average Difference" CB 78 0.760 -0.063 0.763 19155 54 1 9 "Average Difference" HN 76 0.455 -0.065 0.454 19155 55 1 10 "Average Difference" N 76 1.890 -0.080 1.901 19155 56 1 10 "Average Difference" HA 81 0.178 -0.022 0.177 19155 57 1 10 "Average Difference" C 76 1.050 -0.233 1.030 19155 58 1 10 "Average Difference" CA 80 1.019 -0.330 0.970 19155 59 1 10 "Average Difference" CB 78 0.793 -0.052 0.797 19155 60 1 10 "Average Difference" HN 76 0.427 -0.050 0.427 19155 61 1 11 "Average Difference" N 76 1.888 -0.079 1.899 19155 62 1 11 "Average Difference" HA 81 0.234 -0.046 0.230 19155 63 1 11 "Average Difference" C 76 1.126 -0.235 1.108 19155 64 1 11 "Average Difference" CA 80 0.967 -0.149 0.961 19155 65 1 11 "Average Difference" CB 78 0.806 -0.044 0.810 19155 66 1 11 "Average Difference" HN 76 0.433 0.013 0.436 19155 67 1 12 "Average Difference" N 76 2.214 0.032 2.228 19155 68 1 12 "Average Difference" HA 81 0.205 -0.032 0.204 19155 69 1 12 "Average Difference" C 76 1.100 -0.258 1.076 19155 70 1 12 "Average Difference" CA 80 1.058 -0.235 1.038 19155 71 1 12 "Average Difference" CB 78 0.783 -0.043 0.787 19155 72 1 12 "Average Difference" HN 76 0.420 -0.014 0.423 19155 73 1 13 "Average Difference" N 76 2.102 -0.024 2.116 19155 74 1 13 "Average Difference" HA 81 0.179 -0.041 0.175 19155 75 1 13 "Average Difference" C 76 1.101 -0.204 1.090 19155 76 1 13 "Average Difference" CA 80 0.891 -0.225 0.867 19155 77 1 13 "Average Difference" CB 78 0.826 -0.126 0.822 19155 78 1 13 "Average Difference" HN 76 0.449 -0.039 0.451 19155 79 1 14 "Average Difference" N 76 2.288 0.127 2.300 19155 80 1 14 "Average Difference" HA 81 0.185 -0.008 0.186 19155 81 1 14 "Average Difference" C 76 1.161 -0.258 1.139 19155 82 1 14 "Average Difference" CA 80 0.966 -0.174 0.956 19155 83 1 14 "Average Difference" CB 78 0.806 -0.054 0.810 19155 84 1 14 "Average Difference" HN 76 0.450 -0.038 0.452 19155 85 1 15 "Average Difference" N 76 2.030 0.094 2.042 19155 86 1 15 "Average Difference" HA 81 0.197 -0.016 0.197 19155 87 1 15 "Average Difference" C 76 1.109 -0.201 1.098 19155 88 1 15 "Average Difference" CA 80 0.996 -0.195 0.983 19155 89 1 15 "Average Difference" CB 78 0.832 -0.123 0.828 19155 90 1 15 "Average Difference" HN 76 0.429 -0.048 0.429 19155 91 1 16 "Average Difference" N 76 2.010 -0.119 2.020 19155 92 1 16 "Average Difference" HA 81 0.194 -0.011 0.195 19155 93 1 16 "Average Difference" C 76 1.138 -0.290 1.108 19155 94 1 16 "Average Difference" CA 80 0.965 -0.220 0.945 19155 95 1 16 "Average Difference" CB 78 0.796 -0.030 0.801 19155 96 1 16 "Average Difference" HN 76 0.394 -0.017 0.396 19155 97 1 17 "Average Difference" N 76 2.033 0.011 2.046 19155 98 1 17 "Average Difference" HA 81 0.180 -0.048 0.174 19155 99 1 17 "Average Difference" C 76 1.066 -0.237 1.046 19155 100 1 17 "Average Difference" CA 80 0.981 -0.101 0.982 19155 101 1 17 "Average Difference" CB 78 0.816 -0.098 0.815 19155 102 1 17 "Average Difference" HN 76 0.434 -0.070 0.432 19155 103 1 18 "Average Difference" N 76 2.222 0.033 2.237 19155 104 1 18 "Average Difference" HA 81 0.197 -0.030 0.196 19155 105 1 18 "Average Difference" C 76 1.114 -0.231 1.097 19155 106 1 18 "Average Difference" CA 80 0.971 -0.262 0.940 19155 107 1 18 "Average Difference" CB 78 0.807 -0.107 0.805 19155 108 1 18 "Average Difference" HN 76 0.420 -0.045 0.420 19155 109 1 19 "Average Difference" N 76 2.049 0.063 2.061 19155 110 1 19 "Average Difference" HA 81 0.174 -0.038 0.171 19155 111 1 19 "Average Difference" C 76 1.099 -0.228 1.082 19155 112 1 19 "Average Difference" CA 80 0.928 -0.200 0.912 19155 113 1 19 "Average Difference" CB 78 0.766 -0.082 0.766 19155 114 1 19 "Average Difference" HN 76 0.382 -0.021 0.384 19155 115 1 20 "Average Difference" N 76 1.892 -0.052 1.903 19155 116 1 20 "Average Difference" HA 81 0.193 -0.052 0.187 19155 117 1 20 "Average Difference" C 76 1.073 -0.198 1.061 19155 118 1 20 "Average Difference" CA 80 1.022 -0.129 1.020 19155 119 1 20 "Average Difference" CB 78 0.813 -0.108 0.811 19155 120 1 20 "Average Difference" HN 76 0.408 -0.047 0.408 19155 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 19155 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 ASP N N 2 119.961 119.961 121.052 -1.091 19155 2 1 . 1 1 2 2 ASP HA H 2 4.440 4.440 4.382 0.058 19155 3 1 . 1 1 2 2 ASP C C 2 178.594 178.594 177.789 0.805 19155 4 1 . 1 1 2 2 ASP CA C 2 57.997 57.997 57.328 0.669 19155 5 1 . 1 1 2 2 ASP CB C 2 40.098 40.098 40.405 -0.307 19155 6 1 . 1 1 2 2 ASP H H 2 8.260 8.260 8.731 -0.471 19155 7 1 . 1 1 3 3 SER N N 3 115.401 115.401 114.448 0.953 19155 8 1 . 1 1 3 3 SER HA H 3 4.358 4.358 4.223 0.135 19155 9 1 . 1 1 3 3 SER C C 3 177.657 177.657 176.481 1.176 19155 10 1 . 1 1 3 3 SER CA C 3 60.656 60.656 60.821 -0.165 19155 11 1 . 1 1 3 3 SER CB C 3 62.319 62.319 62.913 -0.594 19155 12 1 . 1 1 3 3 SER H H 3 8.112 8.112 8.256 -0.144 19155 13 1 . 1 1 4 4 GLU N N 4 122.287 122.287 122.656 -0.369 19155 14 1 . 1 1 4 4 GLU HA H 4 4.045 4.045 4.125 -0.080 19155 15 1 . 1 1 4 4 GLU C C 4 180.035 180.035 178.485 1.550 19155 16 1 . 1 1 4 4 GLU CA C 4 59.072 59.072 59.011 0.061 19155 17 1 . 1 1 4 4 GLU CB C 4 28.538 28.538 29.530 -0.992 19155 18 1 . 1 1 4 4 GLU H H 4 8.472 8.472 8.087 0.385 19155 19 1 . 1 1 5 5 ARG N N 5 121.026 121.026 118.198 2.828 19155 20 1 . 1 1 5 5 ARG HA H 5 3.894 3.894 4.094 -0.200 19155 21 1 . 1 1 5 5 ARG C C 5 178.298 178.298 178.270 0.028 19155 22 1 . 1 1 5 5 ARG CA C 5 60.564 60.564 59.082 1.482 19155 23 1 . 1 1 5 5 ARG CB C 5 30.681 30.681 29.616 1.065 19155 24 1 . 1 1 5 5 ARG H H 5 8.771 8.771 8.303 0.468 19155 25 1 . 1 1 6 6 ASP N N 6 119.775 119.775 120.353 -0.578 19155 26 1 . 1 1 6 6 ASP HA H 6 4.455 4.455 4.471 -0.016 19155 27 1 . 1 1 6 6 ASP C C 6 178.676 178.676 178.058 0.618 19155 28 1 . 1 1 6 6 ASP CA C 6 57.956 57.956 57.397 0.559 19155 29 1 . 1 1 6 6 ASP CB C 6 40.774 40.774 40.935 -0.161 19155 30 1 . 1 1 6 6 ASP H H 6 7.889 7.889 8.150 -0.261 19155 31 1 . 1 1 7 7 LYS N N 7 119.937 119.937 119.577 0.360 19155 32 1 . 1 1 7 7 LYS HA H 7 4.014 4.014 4.036 -0.022 19155 33 1 . 1 1 7 7 LYS C C 7 178.977 178.977 178.695 0.282 19155 34 1 . 1 1 7 7 LYS CA C 7 59.793 59.793 59.357 0.436 19155 35 1 . 1 1 7 7 LYS CB C 7 32.850 32.850 32.268 0.582 19155 36 1 . 1 1 7 7 LYS H H 7 7.950 7.950 7.838 0.112 19155 37 1 . 1 1 8 8 ALA N N 8 122.436 122.436 122.204 0.232 19155 38 1 . 1 1 8 8 ALA HA H 8 4.478 4.478 4.121 0.357 19155 39 1 . 1 1 8 8 ALA C C 8 178.764 178.764 179.397 -0.633 19155 40 1 . 1 1 8 8 ALA CA C 8 55.168 55.168 55.026 0.142 19155 41 1 . 1 1 8 8 ALA CB C 8 19.502 19.502 18.534 0.968 19155 42 1 . 1 1 8 8 ALA H H 8 7.976 7.976 8.237 -0.261 19155 43 1 . 1 1 9 9 ARG N N 9 118.059 118.059 117.044 1.015 19155 44 1 . 1 1 9 9 ARG HA H 9 3.801 3.801 4.029 -0.228 19155 45 1 . 1 1 9 9 ARG C C 9 177.874 177.874 178.337 -0.463 19155 46 1 . 1 1 9 9 ARG CA C 9 59.794 59.794 59.056 0.738 19155 47 1 . 1 1 9 9 ARG CB C 9 29.989 29.989 29.787 0.202 19155 48 1 . 1 1 9 9 ARG H H 9 8.489 8.489 8.203 0.286 19155 49 1 . 1 1 10 10 LYS N N 10 118.064 118.064 119.936 -1.872 19155 50 1 . 1 1 10 10 LYS HA H 10 4.138 4.138 4.102 0.036 19155 51 1 . 1 1 10 10 LYS C C 10 178.619 178.619 178.899 -0.280 19155 52 1 . 1 1 10 10 LYS CA C 10 59.421 59.421 58.855 0.566 19155 53 1 . 1 1 10 10 LYS CB C 10 32.467 32.467 31.913 0.554 19155 54 1 . 1 1 10 10 LYS H H 10 7.833 7.833 8.031 -0.198 19155 55 1 . 1 1 11 11 GLU N N 11 118.845 118.845 119.648 -0.803 19155 56 1 . 1 1 11 11 GLU HA H 11 4.107 4.107 4.107 -0.000 19155 57 1 . 1 1 11 11 GLU C C 11 180.137 180.137 179.017 1.120 19155 58 1 . 1 1 11 11 GLU CA C 11 59.803 59.803 59.453 0.350 19155 59 1 . 1 1 11 11 GLU CB C 11 29.248 29.248 29.388 -0.140 19155 60 1 . 1 1 11 11 GLU H H 11 7.991 7.991 8.201 -0.210 19155 61 1 . 1 1 12 12 VAL N N 12 120.562 120.562 115.587 4.975 19155 62 1 . 1 1 12 12 VAL HA H 12 3.851 3.851 3.861 -0.010 19155 63 1 . 1 1 12 12 VAL C C 12 178.182 178.182 177.829 0.353 19155 64 1 . 1 1 12 12 VAL CA C 12 66.625 66.625 65.816 0.809 19155 65 1 . 1 1 12 12 VAL CB C 12 31.784 31.784 31.324 0.460 19155 66 1 . 1 1 12 12 VAL H H 12 8.173 8.173 7.550 0.623 19155 67 1 . 1 1 13 13 GLU N N 13 117.912 117.912 121.600 -3.688 19155 68 1 . 1 1 13 13 GLU HA H 13 3.841 3.841 3.964 -0.123 19155 69 1 . 1 1 13 13 GLU C C 13 179.959 179.959 178.958 1.001 19155 70 1 . 1 1 13 13 GLU CA C 13 60.498 60.498 60.315 0.183 19155 71 1 . 1 1 13 13 GLU CB C 13 30.014 30.014 29.436 0.578 19155 72 1 . 1 1 13 13 GLU H H 13 8.624 8.624 8.400 0.224 19155 73 1 . 1 1 14 14 GLU N N 14 117.909 117.909 119.497 -1.588 19155 74 1 . 1 1 14 14 GLU HA H 14 4.025 4.025 4.062 -0.037 19155 75 1 . 1 1 14 14 GLU C C 14 179.020 179.020 178.922 0.098 19155 76 1 . 1 1 14 14 GLU CA C 14 59.442 59.442 59.122 0.320 19155 77 1 . 1 1 14 14 GLU CB C 14 29.257 29.257 29.333 -0.076 19155 78 1 . 1 1 14 14 GLU H H 14 8.904 8.904 8.384 0.520 19155 79 1 . 1 1 15 15 TYR N N 15 122.592 122.592 121.292 1.300 19155 80 1 . 1 1 15 15 TYR HA H 15 4.359 4.359 4.173 0.186 19155 81 1 . 1 1 15 15 TYR C C 15 177.581 177.581 177.665 -0.084 19155 82 1 . 1 1 15 15 TYR CA C 15 62.430 62.430 61.752 0.678 19155 83 1 . 1 1 15 15 TYR CB C 15 38.541 38.541 38.721 -0.180 19155 84 1 . 1 1 15 15 TYR H H 15 8.170 8.170 8.094 0.076 19155 85 1 . 1 1 16 16 VAL N N 16 116.497 116.497 119.189 -2.692 19155 86 1 . 1 1 16 16 VAL HA H 16 3.386 3.386 3.450 -0.064 19155 87 1 . 1 1 16 16 VAL C C 16 177.221 177.221 177.692 -0.471 19155 88 1 . 1 1 16 16 VAL CA C 16 68.053 68.053 67.052 1.001 19155 89 1 . 1 1 16 16 VAL CB C 16 31.427 31.427 31.510 -0.083 19155 90 1 . 1 1 16 16 VAL H H 16 7.953 7.953 8.304 -0.351 19155 91 1 . 1 1 17 17 LYS N N 17 118.530 118.530 118.916 -0.386 19155 92 1 . 1 1 17 17 LYS HA H 17 3.922 3.922 3.958 -0.036 19155 93 1 . 1 1 17 17 LYS C C 17 179.742 179.742 178.671 1.071 19155 94 1 . 1 1 17 17 LYS CA C 17 60.145 60.145 59.650 0.495 19155 95 1 . 1 1 17 17 LYS CB C 17 32.827 32.827 31.953 0.874 19155 96 1 . 1 1 17 17 LYS H H 17 8.274 8.274 8.233 0.041 19155 97 1 . 1 1 18 18 LYS N N 18 121.031 121.031 120.614 0.417 19155 98 1 . 1 1 18 18 LYS HA H 18 4.018 4.018 4.044 -0.026 19155 99 1 . 1 1 18 18 LYS C C 18 178.962 178.962 178.617 0.345 19155 100 1 . 1 1 18 18 LYS CA C 18 59.085 59.085 59.430 -0.345 19155 101 1 . 1 1 18 18 LYS CB C 18 32.132 32.132 32.425 -0.293 19155 102 1 . 1 1 18 18 LYS H H 18 7.946 7.946 7.887 0.059 19155 103 1 . 1 1 19 19 ILE N N 19 120.718 120.718 119.735 0.983 19155 104 1 . 1 1 19 19 ILE HA H 19 3.727 3.727 3.730 -0.003 19155 105 1 . 1 1 19 19 ILE C C 19 172.120 172.120 178.238 -6.117 19155 106 1 . 1 1 19 19 ILE CA C 19 62.128 62.128 64.087 -1.959 19155 107 1 . 1 1 19 19 ILE CB C 19 35.988 35.988 37.154 -1.167 19155 108 1 . 1 1 19 19 ILE H H 19 7.796 7.796 8.020 -0.224 19155 109 1 . 1 1 20 20 VAL N N 20 124.792 124.792 120.996 3.796 19155 110 1 . 1 1 20 20 VAL HA H 20 3.312 3.312 3.540 -0.228 19155 111 1 . 1 1 20 20 VAL C C 20 177.873 177.873 178.283 -0.410 19155 112 1 . 1 1 20 20 VAL CA C 20 67.738 67.738 67.041 0.697 19155 113 1 . 1 1 20 20 VAL CB C 20 31.772 31.772 31.041 0.731 19155 114 1 . 1 1 20 20 VAL H H 20 9.190 9.190 8.626 0.564 19155 115 1 . 1 1 21 21 GLY N N 21 106.034 106.034 107.137 -1.103 19155 116 1 . 1 1 21 21 GLY C C 21 177.470 177.470 176.276 1.194 19155 117 1 . 1 1 21 21 GLY CA C 21 47.226 47.226 47.264 -0.038 19155 118 1 . 1 1 21 21 GLY H H 21 8.117 8.117 8.047 0.070 19155 119 1 . 1 1 22 22 GLU N N 22 122.282 122.282 121.401 0.881 19155 120 1 . 1 1 22 22 GLU HA H 22 4.104 4.104 4.084 0.020 19155 121 1 . 1 1 22 22 GLU C C 22 178.827 178.827 178.979 -0.152 19155 122 1 . 1 1 22 22 GLU CA C 22 59.016 59.016 58.957 0.059 19155 123 1 . 1 1 22 22 GLU CB C 22 29.619 29.619 29.203 0.416 19155 124 1 . 1 1 22 22 GLU H H 22 8.197 8.197 8.408 -0.211 19155 125 1 . 1 1 23 23 SER N N 23 116.812 116.812 116.270 0.542 19155 126 1 . 1 1 23 23 SER HA H 23 4.201 4.201 4.139 0.062 19155 127 1 . 1 1 23 23 SER C C 23 177.084 177.084 176.481 0.603 19155 128 1 . 1 1 23 23 SER CA C 23 61.998 61.998 61.554 0.444 19155 129 1 . 1 1 23 23 SER CB C 23 62.105 62.105 62.806 -0.702 19155 130 1 . 1 1 23 23 SER H H 23 8.285 8.285 8.215 0.070 19155 131 1 . 1 1 24 24 TYR N N 24 120.879 120.879 120.902 -0.023 19155 132 1 . 1 1 24 24 TYR HA H 24 4.396 4.396 4.368 0.028 19155 133 1 . 1 1 24 24 TYR C C 24 178.846 178.846 177.600 1.246 19155 134 1 . 1 1 24 24 TYR CA C 24 61.189 61.189 60.634 0.555 19155 135 1 . 1 1 24 24 TYR CB C 24 37.866 37.866 38.042 -0.176 19155 136 1 . 1 1 24 24 TYR H H 24 8.254 8.254 7.804 0.450 19155 137 1 . 1 1 25 25 ALA N N 25 122.124 122.124 120.740 1.384 19155 138 1 . 1 1 25 25 ALA HA H 25 4.251 4.251 4.176 0.076 19155 139 1 . 1 1 25 25 ALA C C 25 178.999 178.999 178.225 0.774 19155 140 1 . 1 1 25 25 ALA CA C 25 54.608 54.608 54.214 0.394 19155 141 1 . 1 1 25 25 ALA CB C 25 18.108 18.108 18.801 -0.693 19155 142 1 . 1 1 25 25 ALA H H 25 8.018 8.018 7.955 0.063 19155 143 1 . 1 1 26 26 LYS N N 26 115.251 115.251 117.191 -1.940 19155 144 1 . 1 1 26 26 LYS HA H 26 4.459 4.459 4.352 0.107 19155 145 1 . 1 1 26 26 LYS C C 26 176.598 176.598 176.822 -0.224 19155 146 1 . 1 1 26 26 LYS CA C 26 56.209 56.209 56.496 -0.287 19155 147 1 . 1 1 26 26 LYS CB C 26 33.191 33.191 32.945 0.246 19155 148 1 . 1 1 26 26 LYS H H 26 7.533 7.533 8.056 -0.523 19155 149 1 . 1 1 27 27 SER N N 27 115.400 115.400 116.050 -0.650 19155 150 1 . 1 1 27 27 SER HA H 27 4.332 4.332 4.571 -0.239 19155 151 1 . 1 1 27 27 SER C C 27 174.768 174.768 173.618 1.150 19155 152 1 . 1 1 27 27 SER CA C 27 58.808 58.808 58.285 0.523 19155 153 1 . 1 1 27 27 SER CB C 27 63.397 63.397 64.710 -1.313 19155 154 1 . 1 1 27 27 SER H H 27 7.570 7.570 7.754 -0.184 19155 155 1 . 1 1 28 28 THR N N 28 114.468 114.468 114.665 -0.197 19155 156 1 . 1 1 28 28 THR HA H 28 4.649 4.649 4.672 -0.023 19155 157 1 . 1 1 28 28 THR CA C 28 60.242 60.242 60.854 -0.612 19155 158 1 . 1 1 28 28 THR CB C 28 71.544 71.544 71.220 0.324 19155 159 1 . 1 1 28 28 THR H H 28 7.725 7.725 8.183 -0.458 19155 160 1 . 1 1 29 29 LYS HA H 29 4.300 4.300 3.971 0.329 19155 161 1 . 1 1 29 29 LYS CA C 29 57.974 57.974 59.497 -1.523 19155 162 1 . 1 1 29 29 LYS CB C 29 32.820 32.820 32.111 0.709 19155 163 1 . 1 1 30 30 LYS HA H 30 4.154 4.154 4.142 0.012 19155 164 1 . 1 1 30 30 LYS CA C 30 58.725 58.725 57.972 0.753 19155 165 1 . 1 1 31 31 ARG HA H 31 4.533 4.533 4.552 -0.019 19155 166 1 . 1 1 31 31 ARG CA C 31 56.137 56.137 54.941 1.196 19155 167 1 . 1 1 31 31 ARG CB C 31 31.003 31.003 29.810 1.193 19155 168 1 . 1 1 32 32 HIS HA H 32 4.570 4.570 4.312 0.258 19155 169 1 . 1 1 32 32 HIS C C 32 176.136 176.136 176.683 -0.547 19155 170 1 . 1 1 32 32 HIS CA C 32 58.689 58.689 59.755 -1.066 19155 171 1 . 1 1 32 32 HIS CB C 32 30.731 30.731 29.509 1.222 19155 172 1 . 1 1 33 33 THR N N 33 111.162 111.162 115.560 -4.398 19155 173 1 . 1 1 33 33 THR HA H 33 3.976 3.976 3.902 0.074 19155 174 1 . 1 1 33 33 THR C C 33 176.807 176.807 176.419 0.388 19155 175 1 . 1 1 33 33 THR CA C 33 65.194 65.194 66.293 -1.099 19155 176 1 . 1 1 33 33 THR CB C 33 68.428 68.428 68.336 0.092 19155 177 1 . 1 1 33 33 THR H H 33 8.355 8.355 8.199 0.156 19155 178 1 . 1 1 34 34 ILE N N 34 123.220 123.220 120.975 2.245 19155 179 1 . 1 1 34 34 ILE HA H 34 4.047 4.047 3.871 0.176 19155 180 1 . 1 1 34 34 ILE C C 34 176.944 176.944 177.518 -0.574 19155 181 1 . 1 1 34 34 ILE CA C 34 63.746 63.746 64.106 -0.360 19155 182 1 . 1 1 34 34 ILE CB C 34 37.905 37.905 37.197 0.708 19155 183 1 . 1 1 34 34 ILE H H 34 7.824 7.824 7.975 -0.151 19155 184 1 . 1 1 35 35 THR N N 35 118.694 118.694 116.984 1.710 19155 185 1 . 1 1 35 35 THR HA H 35 4.103 4.103 3.818 0.285 19155 186 1 . 1 1 35 35 THR C C 35 175.385 175.385 176.564 -1.179 19155 187 1 . 1 1 35 35 THR CA C 35 63.339 63.339 66.311 -2.972 19155 188 1 . 1 1 35 35 THR CB C 35 68.428 68.428 68.187 0.241 19155 189 1 . 1 1 35 35 THR H H 35 8.053 8.053 7.621 0.432 19155 190 1 . 1 1 36 36 VAL N N 36 120.252 120.252 121.909 -1.657 19155 191 1 . 1 1 36 36 VAL HA H 36 3.494 3.494 3.592 -0.098 19155 192 1 . 1 1 36 36 VAL C C 36 177.667 177.667 177.321 0.346 19155 193 1 . 1 1 36 36 VAL CA C 36 66.312 66.312 66.223 0.088 19155 194 1 . 1 1 36 36 VAL CB C 36 31.787 31.787 31.153 0.634 19155 195 1 . 1 1 36 36 VAL H H 36 8.148 8.148 8.138 0.010 19155 196 1 . 1 1 37 37 ALA N N 37 121.815 121.815 122.629 -0.814 19155 197 1 . 1 1 37 37 ALA HA H 37 4.168 4.168 4.016 0.152 19155 198 1 . 1 1 37 37 ALA C C 37 180.404 180.404 179.333 1.071 19155 199 1 . 1 1 37 37 ALA CA C 37 55.062 55.062 55.162 -0.100 19155 200 1 . 1 1 37 37 ALA CB C 37 18.114 18.114 18.223 -0.109 19155 201 1 . 1 1 37 37 ALA H H 37 7.526 7.526 7.748 -0.222 19155 202 1 . 1 1 38 38 LEU N N 38 122.124 122.124 119.260 2.864 19155 203 1 . 1 1 38 38 LEU HA H 38 3.574 3.574 3.439 0.135 19155 204 1 . 1 1 38 38 LEU C C 38 177.815 177.815 178.459 -0.644 19155 205 1 . 1 1 38 38 LEU CA C 38 57.671 57.671 57.139 0.532 19155 206 1 . 1 1 38 38 LEU CB C 38 40.383 40.383 41.434 -1.051 19155 207 1 . 1 1 38 38 LEU H H 38 7.987 7.987 7.712 0.275 19155 208 1 . 1 1 39 39 VAL N N 39 119.627 119.627 119.610 0.017 19155 209 1 . 1 1 39 39 VAL HA H 39 3.295 3.295 3.436 -0.141 19155 210 1 . 1 1 39 39 VAL C C 39 178.084 178.084 177.775 0.309 19155 211 1 . 1 1 39 39 VAL CA C 39 67.710 67.710 67.073 0.637 19155 212 1 . 1 1 39 39 VAL CB C 39 31.393 31.393 31.072 0.321 19155 213 1 . 1 1 39 39 VAL H H 39 8.410 8.410 8.408 0.002 19155 214 1 . 1 1 40 40 ASN N N 40 117.904 117.904 117.967 -0.063 19155 215 1 . 1 1 40 40 ASN HA H 40 4.528 4.528 4.401 0.127 19155 216 1 . 1 1 40 40 ASN C C 40 177.814 177.814 177.785 0.029 19155 217 1 . 1 1 40 40 ASN CA C 40 56.214 56.214 56.355 -0.141 19155 218 1 . 1 1 40 40 ASN CB C 40 37.990 37.990 38.194 -0.204 19155 219 1 . 1 1 40 40 ASN H H 40 8.211 8.211 8.232 -0.021 19155 220 1 . 1 1 41 41 GLU N N 41 122.117 122.117 121.142 0.975 19155 221 1 . 1 1 41 41 GLU HA H 41 4.330 4.330 4.197 0.133 19155 222 1 . 1 1 41 41 GLU C C 41 179.186 179.186 178.631 0.555 19155 223 1 . 1 1 41 41 GLU CA C 41 59.444 59.444 58.753 0.691 19155 224 1 . 1 1 41 41 GLU CB C 41 28.935 28.935 29.595 -0.660 19155 225 1 . 1 1 41 41 GLU H H 41 7.895 7.895 7.753 0.142 19155 226 1 . 1 1 42 42 LEU N N 42 118.997 118.997 119.480 -0.483 19155 227 1 . 1 1 42 42 LEU HA H 42 4.036 4.036 3.833 0.203 19155 228 1 . 1 1 42 42 LEU C C 42 179.072 179.072 178.852 0.220 19155 229 1 . 1 1 42 42 LEU CA C 42 58.028 58.028 58.455 -0.427 19155 230 1 . 1 1 42 42 LEU CB C 42 41.053 41.053 41.619 -0.566 19155 231 1 . 1 1 42 42 LEU H H 42 8.915 8.915 8.562 0.353 19155 232 1 . 1 1 43 43 ASN N N 43 117.439 117.439 116.501 0.938 19155 233 1 . 1 1 43 43 ASN HA H 43 4.560 4.560 4.448 0.112 19155 234 1 . 1 1 43 43 ASN C C 43 177.692 177.692 177.265 0.427 19155 235 1 . 1 1 43 43 ASN CA C 43 56.224 56.224 56.229 -0.005 19155 236 1 . 1 1 43 43 ASN CB C 43 38.241 38.241 38.081 0.160 19155 237 1 . 1 1 43 43 ASN H H 43 8.436 8.436 8.356 0.080 19155 238 1 . 1 1 44 44 ASN N N 44 121.188 121.188 120.041 1.147 19155 239 1 . 1 1 44 44 ASN HA H 44 4.647 4.647 4.611 0.036 19155 240 1 . 1 1 44 44 ASN C C 44 178.704 178.704 177.468 1.235 19155 241 1 . 1 1 44 44 ASN CA C 44 56.233 56.233 55.851 0.382 19155 242 1 . 1 1 44 44 ASN CB C 44 37.466 37.466 38.501 -1.035 19155 243 1 . 1 1 44 44 ASN H H 44 8.079 8.079 7.705 0.374 19155 244 1 . 1 1 45 45 ILE N N 45 124.315 124.315 120.931 3.384 19155 245 1 . 1 1 45 45 ILE HA H 45 3.985 3.985 3.723 0.262 19155 246 1 . 1 1 45 45 ILE C C 45 177.925 177.925 177.896 0.029 19155 247 1 . 1 1 45 45 ILE CA C 45 65.578 65.578 65.633 -0.055 19155 248 1 . 1 1 45 45 ILE CB C 45 38.903 38.903 37.634 1.269 19155 249 1 . 1 1 45 45 ILE H H 45 8.533 8.533 8.429 0.104 19155 250 1 . 1 1 46 46 LYS N N 46 119.624 119.624 120.322 -0.698 19155 251 1 . 1 1 46 46 LYS HA H 46 3.743 3.743 3.907 -0.164 19155 252 1 . 1 1 46 46 LYS C C 46 177.699 177.699 178.870 -1.171 19155 253 1 . 1 1 46 46 LYS CA C 46 60.161 60.161 60.396 -0.235 19155 254 1 . 1 1 46 46 LYS CB C 46 31.420 31.420 32.299 -0.879 19155 255 1 . 1 1 46 46 LYS H H 46 8.660 8.660 8.108 0.552 19155 256 1 . 1 1 47 47 ASN N N 47 116.034 116.034 117.680 -1.646 19155 257 1 . 1 1 47 47 ASN HA H 47 4.468 4.468 4.457 0.011 19155 258 1 . 1 1 47 47 ASN C C 47 177.768 177.768 177.522 0.246 19155 259 1 . 1 1 47 47 ASN CA C 47 56.538 56.538 56.259 0.279 19155 260 1 . 1 1 47 47 ASN CB C 47 37.882 37.882 38.237 -0.355 19155 261 1 . 1 1 47 47 ASN H H 47 8.344 8.344 8.311 0.033 19155 262 1 . 1 1 48 48 GLU N N 48 121.665 121.665 121.146 0.519 19155 263 1 . 1 1 48 48 GLU HA H 48 4.044 4.044 3.992 0.052 19155 264 1 . 1 1 48 48 GLU C C 48 179.915 179.915 179.066 0.849 19155 265 1 . 1 1 48 48 GLU CA C 48 59.444 59.444 59.618 -0.174 19155 266 1 . 1 1 48 48 GLU CB C 48 29.230 29.230 29.795 -0.565 19155 267 1 . 1 1 48 48 GLU H H 48 8.301 8.301 8.358 -0.057 19155 268 1 . 1 1 49 49 TYR N N 49 117.600 117.600 118.767 -1.167 19155 269 1 . 1 1 49 49 TYR HA H 49 3.992 3.992 4.345 -0.353 19155 270 1 . 1 1 49 49 TYR C C 49 178.275 178.275 178.213 0.062 19155 271 1 . 1 1 49 49 TYR CA C 49 64.508 64.508 61.307 3.201 19155 272 1 . 1 1 49 49 TYR CB C 49 37.881 37.881 38.582 -0.701 19155 273 1 . 1 1 49 49 TYR H H 49 8.581 8.581 8.464 0.117 19155 274 1 . 1 1 50 50 LEU N N 50 122.126 122.126 120.813 1.313 19155 275 1 . 1 1 50 50 LEU HA H 50 4.181 4.181 3.807 0.374 19155 276 1 . 1 1 50 50 LEU C C 50 180.089 180.089 178.699 1.390 19155 277 1 . 1 1 50 50 LEU CA C 50 59.061 59.061 58.676 0.385 19155 278 1 . 1 1 50 50 LEU CB C 50 40.096 40.096 41.535 -1.439 19155 279 1 . 1 1 50 50 LEU H H 50 9.207 9.207 8.836 0.371 19155 280 1 . 1 1 51 51 ASN N N 51 117.124 117.124 117.081 0.043 19155 281 1 . 1 1 51 51 ASN HA H 51 4.535 4.535 4.414 0.121 19155 282 1 . 1 1 51 51 ASN C C 51 177.522 177.522 177.442 0.080 19155 283 1 . 1 1 51 51 ASN CA C 51 56.240 56.240 56.369 -0.129 19155 284 1 . 1 1 51 51 ASN CB C 51 37.898 37.898 38.471 -0.573 19155 285 1 . 1 1 51 51 ASN H H 51 7.634 7.634 8.089 -0.455 19155 286 1 . 1 1 52 52 LYS N N 52 119.154 119.154 119.341 -0.187 19155 287 1 . 1 1 52 52 LYS HA H 52 4.037 4.037 3.983 0.054 19155 288 1 . 1 1 52 52 LYS C C 52 179.905 179.905 178.424 1.481 19155 289 1 . 1 1 52 52 LYS CA C 52 59.803 59.803 59.212 0.591 19155 290 1 . 1 1 52 52 LYS CB C 52 33.215 33.215 32.296 0.919 19155 291 1 . 1 1 52 52 LYS H H 52 7.663 7.663 7.600 0.063 19155 292 1 . 1 1 53 53 ILE N N 53 121.662 121.662 119.260 2.402 19155 293 1 . 1 1 53 53 ILE HA H 53 3.532 3.532 3.862 -0.330 19155 294 1 . 1 1 53 53 ILE C C 53 178.489 178.489 178.012 0.477 19155 295 1 . 1 1 53 53 ILE CA C 53 65.906 65.906 64.453 1.453 19155 296 1 . 1 1 53 53 ILE CB C 53 38.249 38.249 38.239 0.010 19155 297 1 . 1 1 53 53 ILE H H 53 8.493 8.493 8.129 0.364 19155 298 1 . 1 1 54 54 VAL N N 54 119.477 119.477 119.688 -0.211 19155 299 1 . 1 1 54 54 VAL HA H 54 3.647 3.647 3.769 -0.122 19155 300 1 . 1 1 54 54 VAL C C 54 176.683 176.683 176.797 -0.114 19155 301 1 . 1 1 54 54 VAL CA C 54 66.643 66.643 65.183 1.460 19155 302 1 . 1 1 54 54 VAL CB C 54 31.448 31.448 31.983 -0.535 19155 303 1 . 1 1 54 54 VAL H H 54 7.598 7.598 8.051 -0.453 19155 304 1 . 1 1 55 55 GLU N N 55 114.467 114.467 118.031 -3.564 19155 305 1 . 1 1 55 55 GLU HA H 55 4.281 4.281 4.336 -0.055 19155 306 1 . 1 1 55 55 GLU C C 55 176.914 176.914 176.119 0.795 19155 307 1 . 1 1 55 55 GLU CA C 55 56.195 56.195 55.898 0.297 19155 308 1 . 1 1 55 55 GLU CB C 55 30.354 30.354 29.759 0.595 19155 309 1 . 1 1 55 55 GLU H H 55 7.064 7.064 7.757 -0.693 19155 310 1 . 1 1 56 56 SER N N 56 116.806 116.806 114.851 1.955 19155 311 1 . 1 1 56 56 SER HA H 56 4.435 4.435 4.394 0.041 19155 312 1 . 1 1 56 56 SER C C 56 175.566 175.566 175.097 0.469 19155 313 1 . 1 1 56 56 SER CA C 56 60.163 60.163 59.175 0.988 19155 314 1 . 1 1 56 56 SER CB C 56 64.439 64.439 63.744 0.695 19155 315 1 . 1 1 56 56 SER H H 56 7.504 7.504 7.509 -0.005 19155 316 1 . 1 1 57 57 THR N N 57 111.347 111.347 118.489 -7.142 19155 317 1 . 1 1 57 57 THR HA H 57 4.539 4.539 4.374 0.165 19155 318 1 . 1 1 57 57 THR C C 57 174.424 174.424 174.188 0.236 19155 319 1 . 1 1 57 57 THR CA C 57 61.518 61.518 62.352 -0.835 19155 320 1 . 1 1 57 57 THR CB C 57 70.377 70.377 69.123 1.254 19155 321 1 . 1 1 57 57 THR H H 57 9.083 9.083 8.589 0.494 19155 322 1 . 1 1 58 58 SER N N 58 115.415 115.415 117.568 -2.153 19155 323 1 . 1 1 58 58 SER HA H 58 5.059 5.059 4.716 0.343 19155 324 1 . 1 1 58 58 SER C C 58 174.278 174.278 174.434 -0.156 19155 325 1 . 1 1 58 58 SER CA C 58 56.928 56.928 57.361 -0.433 19155 326 1 . 1 1 58 58 SER CB C 58 66.570 66.570 65.180 1.390 19155 327 1 . 1 1 58 58 SER H H 58 7.689 7.689 7.761 -0.072 19155 328 1 . 1 1 59 59 GLU N N 59 124.305 124.305 127.306 -3.001 19155 329 1 . 1 1 59 59 GLU HA H 59 3.990 3.990 4.036 -0.046 19155 330 1 . 1 1 59 59 GLU C C 59 179.113 179.113 177.662 1.451 19155 331 1 . 1 1 59 59 GLU CA C 59 60.159 60.159 59.266 0.893 19155 332 1 . 1 1 59 59 GLU CB C 59 29.616 29.616 29.120 0.496 19155 333 1 . 1 1 59 59 GLU H H 59 9.719 9.719 9.083 0.636 19155 334 1 . 1 1 60 60 SER N N 60 115.406 115.406 114.512 0.894 19155 335 1 . 1 1 60 60 SER HA H 60 4.249 4.249 4.293 -0.044 19155 336 1 . 1 1 60 60 SER C C 60 177.307 177.307 176.151 1.156 19155 337 1 . 1 1 60 60 SER CA C 60 61.259 61.259 60.368 0.891 19155 338 1 . 1 1 60 60 SER CB C 60 61.960 61.960 62.861 -0.901 19155 339 1 . 1 1 60 60 SER H H 60 8.614 8.614 8.192 0.422 19155 340 1 . 1 1 61 61 GLN N N 61 121.656 121.656 122.029 -0.372 19155 341 1 . 1 1 61 61 GLN HA H 61 4.107 4.107 4.211 -0.104 19155 342 1 . 1 1 61 61 GLN C C 61 178.777 178.777 177.801 0.976 19155 343 1 . 1 1 61 61 GLN CA C 61 58.743 58.743 58.071 0.672 19155 344 1 . 1 1 61 61 GLN CB C 61 28.900 28.900 28.696 0.204 19155 345 1 . 1 1 61 61 GLN H H 61 7.669 7.669 7.854 -0.185 19155 346 1 . 1 1 62 62 LEU N N 62 118.689 118.689 119.869 -1.180 19155 347 1 . 1 1 62 62 LEU HA H 62 4.035 4.035 3.898 0.137 19155 348 1 . 1 1 62 62 LEU C C 62 178.363 178.363 179.021 -0.658 19155 349 1 . 1 1 62 62 LEU CA C 62 58.725 58.725 58.021 0.704 19155 350 1 . 1 1 62 62 LEU CB C 62 41.836 41.836 41.713 0.123 19155 351 1 . 1 1 62 62 LEU H H 62 7.736 7.736 8.090 -0.354 19155 352 1 . 1 1 63 63 GLN N N 63 117.441 117.441 116.861 0.580 19155 353 1 . 1 1 63 63 GLN HA H 63 4.078 4.078 4.065 0.013 19155 354 1 . 1 1 63 63 GLN C C 63 179.312 179.312 178.324 0.988 19155 355 1 . 1 1 63 63 GLN CA C 63 59.062 59.062 58.418 0.644 19155 356 1 . 1 1 63 63 GLN CB C 63 27.819 27.819 28.634 -0.815 19155 357 1 . 1 1 63 63 GLN H H 63 7.943 7.943 7.696 0.247 19155 358 1 . 1 1 64 64 ILE N N 64 120.406 120.406 120.142 0.264 19155 359 1 . 1 1 64 64 ILE HA H 64 3.809 3.809 3.955 -0.146 19155 360 1 . 1 1 64 64 ILE C C 64 178.734 178.734 177.787 0.947 19155 361 1 . 1 1 64 64 ILE CA C 64 64.722 64.722 61.676 3.045 19155 362 1 . 1 1 64 64 ILE CB C 64 37.971 37.971 36.975 0.996 19155 363 1 . 1 1 64 64 ILE H H 64 7.544 7.544 7.652 -0.108 19155 364 1 . 1 1 65 65 LEU N N 65 120.247 120.247 120.717 -0.470 19155 365 1 . 1 1 65 65 LEU HA H 65 4.212 4.212 4.077 0.135 19155 366 1 . 1 1 65 65 LEU C C 65 179.685 179.685 179.271 0.414 19155 367 1 . 1 1 65 65 LEU CA C 65 58.004 58.004 58.223 -0.219 19155 368 1 . 1 1 65 65 LEU CB C 65 42.553 42.553 40.992 1.561 19155 369 1 . 1 1 65 65 LEU H H 65 8.361 8.361 8.411 -0.050 19155 370 1 . 1 1 66 66 MET N N 66 118.685 118.685 117.649 1.036 19155 371 1 . 1 1 66 66 MET HA H 66 3.918 3.918 4.042 -0.124 19155 372 1 . 1 1 66 66 MET C C 66 178.906 178.906 178.609 0.297 19155 373 1 . 1 1 66 66 MET CA C 66 59.467 59.467 59.398 0.069 19155 374 1 . 1 1 66 66 MET CB C 66 33.519 33.519 32.385 1.134 19155 375 1 . 1 1 66 66 MET H H 66 8.458 8.458 7.531 0.927 19155 376 1 . 1 1 67 67 MET N N 67 118.685 118.685 118.264 0.421 19155 377 1 . 1 1 67 67 MET HA H 67 4.098 4.098 4.060 0.038 19155 378 1 . 1 1 67 67 MET C C 67 178.781 178.781 178.509 0.272 19155 379 1 . 1 1 67 67 MET CA C 67 58.379 58.379 58.643 -0.264 19155 380 1 . 1 1 67 67 MET CB C 67 32.031 32.031 31.854 0.177 19155 381 1 . 1 1 67 67 MET H H 67 7.559 7.559 7.718 -0.159 19155 382 1 . 1 1 68 68 GLU N N 68 122.128 122.128 120.104 2.024 19155 383 1 . 1 1 68 68 GLU HA H 68 3.990 3.990 3.991 -0.001 19155 384 1 . 1 1 68 68 GLU C C 68 178.803 178.803 179.063 -0.260 19155 385 1 . 1 1 68 68 GLU CA C 68 59.459 59.459 59.682 -0.223 19155 386 1 . 1 1 68 68 GLU CB C 68 30.706 30.706 29.308 1.398 19155 387 1 . 1 1 68 68 GLU H H 68 8.895 8.895 8.655 0.241 19155 388 1 . 1 1 69 69 SER N N 69 114.769 114.769 115.149 -0.380 19155 389 1 . 1 1 69 69 SER HA H 69 2.872 2.872 3.484 -0.613 19155 390 1 . 1 1 69 69 SER C C 69 175.801 175.801 176.462 -0.661 19155 391 1 . 1 1 69 69 SER CA C 69 62.000 62.000 61.338 0.662 19155 392 1 . 1 1 69 69 SER CB C 69 62.282 62.282 62.547 -0.265 19155 393 1 . 1 1 69 69 SER H H 69 8.161 8.161 8.107 0.054 19155 394 1 . 1 1 70 70 ARG N N 70 120.552 120.552 121.533 -0.981 19155 395 1 . 1 1 70 70 ARG HA H 70 3.744 3.744 3.784 -0.040 19155 396 1 . 1 1 70 70 ARG C C 70 177.654 177.654 178.478 -0.824 19155 397 1 . 1 1 70 70 ARG CA C 70 59.793 59.793 59.545 0.248 19155 398 1 . 1 1 70 70 ARG CB C 70 29.974 29.974 29.712 0.262 19155 399 1 . 1 1 70 70 ARG H H 70 6.945 6.945 8.041 -1.096 19155 400 1 . 1 1 71 71 SER N N 71 113.064 113.064 115.003 -1.939 19155 401 1 . 1 1 71 71 SER HA H 71 4.275 4.275 4.133 0.142 19155 402 1 . 1 1 71 71 SER C C 71 177.491 177.491 176.346 1.145 19155 403 1 . 1 1 71 71 SER CA C 71 61.571 61.571 61.923 -0.352 19155 404 1 . 1 1 71 71 SER CB C 71 62.710 62.710 62.786 -0.076 19155 405 1 . 1 1 71 71 SER H H 71 7.721 7.721 8.306 -0.586 19155 406 1 . 1 1 72 72 LYS N N 72 121.657 121.657 121.812 -0.155 19155 407 1 . 1 1 72 72 LYS HA H 72 4.170 4.170 4.073 0.097 19155 408 1 . 1 1 72 72 LYS C C 72 180.429 180.429 179.078 1.351 19155 409 1 . 1 1 72 72 LYS CA C 72 58.725 58.725 59.219 -0.494 19155 410 1 . 1 1 72 72 LYS CB C 72 32.131 32.131 32.366 -0.235 19155 411 1 . 1 1 72 72 LYS H H 72 8.414 8.414 7.819 0.595 19155 412 1 . 1 1 73 73 VAL N N 73 123.222 123.222 120.626 2.596 19155 413 1 . 1 1 73 73 VAL HA H 73 3.598 3.598 3.612 -0.014 19155 414 1 . 1 1 73 73 VAL C C 73 176.929 176.929 177.486 -0.557 19155 415 1 . 1 1 73 73 VAL CA C 73 66.975 66.975 67.137 -0.162 19155 416 1 . 1 1 73 73 VAL CB C 73 31.704 31.704 31.593 0.111 19155 417 1 . 1 1 73 73 VAL H H 73 8.421 8.421 8.366 0.055 19155 418 1 . 1 1 74 74 ASP N N 74 120.101 120.101 119.723 0.378 19155 419 1 . 1 1 74 74 ASP HA H 74 4.393 4.393 4.397 -0.004 19155 420 1 . 1 1 74 74 ASP C C 74 180.001 180.001 178.394 1.607 19155 421 1 . 1 1 74 74 ASP CA C 74 57.324 57.324 57.725 -0.401 19155 422 1 . 1 1 74 74 ASP CB C 74 39.326 39.326 40.874 -1.548 19155 423 1 . 1 1 74 74 ASP H H 74 8.674 8.674 8.393 0.281 19155 424 1 . 1 1 75 75 GLU N N 75 121.349 121.349 120.365 0.984 19155 425 1 . 1 1 75 75 GLU HA H 75 4.113 4.113 4.033 0.080 19155 426 1 . 1 1 75 75 GLU C C 75 178.732 178.732 178.549 0.183 19155 427 1 . 1 1 75 75 GLU CA C 75 59.083 59.083 59.395 -0.312 19155 428 1 . 1 1 75 75 GLU CB C 75 29.975 29.975 29.701 0.274 19155 429 1 . 1 1 75 75 GLU H H 75 8.475 8.475 8.214 0.261 19155 430 1 . 1 1 76 76 ALA N N 76 124.160 124.160 122.369 1.791 19155 431 1 . 1 1 76 76 ALA HA H 76 4.281 4.281 4.159 0.122 19155 432 1 . 1 1 76 76 ALA C C 76 179.906 179.906 179.914 -0.008 19155 433 1 . 1 1 76 76 ALA CA C 76 55.530 55.530 55.233 0.297 19155 434 1 . 1 1 76 76 ALA CB C 76 17.424 17.424 18.435 -1.011 19155 435 1 . 1 1 76 76 ALA H H 76 7.944 7.944 7.973 -0.029 19155 436 1 . 1 1 77 77 VAL N N 77 117.439 117.439 118.755 -1.316 19155 437 1 . 1 1 77 77 VAL HA H 77 3.644 3.644 3.575 0.069 19155 438 1 . 1 1 77 77 VAL C C 77 178.784 178.784 178.083 0.700 19155 439 1 . 1 1 77 77 VAL CA C 77 66.958 66.958 66.832 0.126 19155 440 1 . 1 1 77 77 VAL CB C 77 31.807 31.807 31.394 0.413 19155 441 1 . 1 1 77 77 VAL H H 77 8.204 8.204 8.242 -0.038 19155 442 1 . 1 1 78 78 SER N N 78 113.687 113.687 114.291 -0.604 19155 443 1 . 1 1 78 78 SER HA H 78 4.266 4.266 4.223 0.043 19155 444 1 . 1 1 78 78 SER C C 78 176.762 176.762 176.092 0.670 19155 445 1 . 1 1 78 78 SER CA C 78 61.241 61.241 61.354 -0.113 19155 446 1 . 1 1 78 78 SER CB C 78 62.678 62.678 63.004 -0.326 19155 447 1 . 1 1 78 78 SER H H 78 7.935 7.935 8.173 -0.238 19155 448 1 . 1 1 79 79 LYS N N 79 121.029 121.029 120.923 0.106 19155 449 1 . 1 1 79 79 LYS HA H 79 4.070 4.070 4.090 -0.019 19155 450 1 . 1 1 79 79 LYS C C 79 178.135 178.135 178.656 -0.521 19155 451 1 . 1 1 79 79 LYS CA C 79 58.723 58.723 58.875 -0.152 19155 452 1 . 1 1 79 79 LYS CB C 79 32.489 32.489 32.597 -0.108 19155 453 1 . 1 1 79 79 LYS H H 79 7.989 7.989 7.984 0.005 19155 454 1 . 1 1 80 80 PHE N N 80 117.437 117.437 117.819 -0.382 19155 455 1 . 1 1 80 80 PHE HA H 80 4.490 4.490 4.461 0.029 19155 456 1 . 1 1 80 80 PHE C C 80 176.236 176.236 177.063 -0.827 19155 457 1 . 1 1 80 80 PHE CA C 80 59.444 59.444 59.969 -0.525 19155 458 1 . 1 1 80 80 PHE CB C 80 40.032 40.032 39.636 0.396 19155 459 1 . 1 1 80 80 PHE H H 80 7.838 7.838 8.040 -0.202 19155 460 1 . 1 1 81 81 GLU N N 81 120.092 120.092 117.590 2.502 19155 461 1 . 1 1 81 81 GLU HA H 81 4.290 4.290 4.257 0.033 19155 462 1 . 1 1 81 81 GLU C C 81 175.715 175.715 176.719 -1.004 19155 463 1 . 1 1 81 81 GLU CA C 81 56.928 56.928 57.294 -0.366 19155 464 1 . 1 1 81 81 GLU CB C 81 29.997 29.997 29.749 0.248 19155 465 1 . 1 1 81 81 GLU H H 81 7.864 7.864 8.366 -0.502 19155 stop_ save_