data_25762 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25762 _Entry.PDB_ID 2N6F 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 25762 _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 LYS N N 2 121.740 121.740 119.645 2.095 25762 2 1 1 . 1 1 2 2 LYS CA C 2 56.298 56.298 56.347 -0.049 25762 3 1 1 . 1 1 2 2 LYS CB C 2 33.384 33.384 32.891 0.493 25762 4 1 1 . 1 1 2 2 LYS H H 2 8.229 8.229 8.173 0.056 25762 5 1 1 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.452 -0.052 25762 6 1 1 . 1 1 6 6 PRO C C 6 176.964 176.964 176.466 0.498 25762 7 1 1 . 1 1 6 6 PRO CA C 6 63.200 63.200 63.007 0.193 25762 8 1 1 . 1 1 6 6 PRO CB C 6 32.100 32.100 32.393 -0.293 25762 9 1 1 . 1 1 7 7 GLU N N 7 122.285 122.285 119.746 2.539 25762 10 1 1 . 1 1 7 7 GLU HA H 7 4.260 4.260 4.168 0.092 25762 11 1 1 . 1 1 7 7 GLU C C 7 176.226 176.226 175.626 0.600 25762 12 1 1 . 1 1 7 7 GLU CA C 7 56.493 56.493 56.626 -0.133 25762 13 1 1 . 1 1 7 7 GLU CB C 7 30.610 30.610 30.039 0.571 25762 14 1 1 . 1 1 7 7 GLU H H 7 8.551 8.551 8.534 0.017 25762 15 1 1 . 1 1 8 8 LYS N N 8 122.572 122.572 125.111 -2.539 25762 16 1 1 . 1 1 8 8 LYS HA H 8 4.310 4.310 4.427 -0.117 25762 17 1 1 . 1 1 8 8 LYS C C 8 176.541 176.541 176.523 0.018 25762 18 1 1 . 1 1 8 8 LYS CA C 8 56.440 56.440 55.766 0.674 25762 19 1 1 . 1 1 8 8 LYS CB C 8 33.195 33.195 33.320 -0.125 25762 20 1 1 . 1 1 8 8 LYS H H 8 8.346 8.346 8.333 0.013 25762 21 1 1 . 1 1 9 9 LYS N N 9 123.843 123.843 121.769 2.074 25762 22 1 1 . 1 1 9 9 LYS HA H 9 4.330 4.330 4.237 0.093 25762 23 1 1 . 1 1 9 9 LYS C C 9 176.390 176.390 176.112 0.278 25762 24 1 1 . 1 1 9 9 LYS CA C 9 56.537 56.537 56.112 0.425 25762 25 1 1 . 1 1 9 9 LYS CB C 9 33.160 33.160 32.493 0.667 25762 26 1 1 . 1 1 9 9 LYS H H 9 8.505 8.505 8.317 0.188 25762 27 1 1 . 1 1 10 10 VAL N N 10 123.043 123.043 121.852 1.191 25762 28 1 1 . 1 1 10 10 VAL HA H 10 4.080 4.080 4.277 -0.197 25762 29 1 1 . 1 1 10 10 VAL C C 10 175.887 175.887 175.091 0.796 25762 30 1 1 . 1 1 10 10 VAL CA C 10 62.159 62.159 61.565 0.594 25762 31 1 1 . 1 1 10 10 VAL CB C 10 33.080 33.080 33.559 -0.479 25762 32 1 1 . 1 1 10 10 VAL H H 10 8.206 8.206 8.324 -0.118 25762 33 1 1 . 1 1 11 11 LYS N N 11 126.952 126.952 125.910 1.042 25762 34 1 1 . 1 1 11 11 LYS HA H 11 4.320 4.320 4.606 -0.285 25762 35 1 1 . 1 1 11 11 LYS C C 11 176.257 176.257 175.668 0.589 25762 36 1 1 . 1 1 11 11 LYS CA C 11 56.085 56.085 55.470 0.615 25762 37 1 1 . 1 1 11 11 LYS CB C 11 33.320 33.320 33.789 -0.469 25762 38 1 1 . 1 1 11 11 LYS H H 11 8.433 8.433 8.486 -0.053 25762 39 1 1 . 1 1 12 12 LYS N N 12 125.023 125.023 122.777 2.246 25762 40 1 1 . 1 1 12 12 LYS HA H 12 4.260 4.260 4.354 -0.094 25762 41 1 1 . 1 1 12 12 LYS C C 12 176.306 176.306 175.909 0.397 25762 42 1 1 . 1 1 12 12 LYS CA C 12 56.605 56.605 56.401 0.204 25762 43 1 1 . 1 1 12 12 LYS CB C 12 33.443 33.443 32.933 0.510 25762 44 1 1 . 1 1 12 12 LYS H H 12 8.446 8.446 8.488 -0.042 25762 45 1 1 . 1 1 13 13 SER N N 13 117.836 117.836 114.093 3.743 25762 46 1 1 . 1 1 13 13 SER HA H 13 4.460 4.460 4.213 0.247 25762 47 1 1 . 1 1 13 13 SER C C 13 174.456 174.456 172.853 1.603 25762 48 1 1 . 1 1 13 13 SER CA C 13 57.950 57.950 58.165 -0.215 25762 49 1 1 . 1 1 13 13 SER CB C 13 64.048 64.048 62.783 1.265 25762 50 1 1 . 1 1 13 13 SER H H 13 8.353 8.353 8.479 -0.126 25762 51 1 1 . 1 1 14 14 ASP N N 14 124.256 124.256 118.701 5.555 25762 52 1 1 . 1 1 14 14 ASP HA H 14 4.570 4.570 4.557 0.013 25762 53 1 1 . 1 1 14 14 ASP C C 14 175.559 175.559 175.700 -0.141 25762 54 1 1 . 1 1 14 14 ASP CA C 14 54.045 54.045 54.291 -0.246 25762 55 1 1 . 1 1 14 14 ASP CB C 14 41.037 41.037 42.234 -1.197 25762 56 1 1 . 1 1 14 14 ASP H H 14 8.479 8.479 7.885 0.594 25762 57 1 1 . 1 1 15 15 CYS N N 15 117.954 117.954 121.767 -3.813 25762 58 1 1 . 1 1 15 15 CYS HA H 15 4.650 4.650 4.581 0.069 25762 59 1 1 . 1 1 15 15 CYS C C 15 175.354 175.354 174.673 0.681 25762 60 1 1 . 1 1 15 15 CYS CA C 15 55.413 55.413 59.002 -3.589 25762 61 1 1 . 1 1 15 15 CYS CB C 15 43.497 43.497 28.555 14.941 25762 62 1 1 . 1 1 15 15 CYS H H 15 7.901 7.901 8.787 -0.886 25762 63 1 1 . 1 1 16 16 GLY N N 16 112.694 112.694 107.425 5.269 25762 64 1 1 . 1 1 16 16 GLY C C 16 172.300 172.300 171.384 0.916 25762 65 1 1 . 1 1 16 16 GLY CA C 16 44.224 44.224 44.751 -0.527 25762 66 1 1 . 1 1 16 16 GLY H H 16 8.447 8.447 7.833 0.614 25762 67 1 1 . 1 1 17 17 GLU N N 17 118.500 118.500 118.633 -0.133 25762 68 1 1 . 1 1 17 17 GLU HA H 17 4.090 4.090 4.163 -0.073 25762 69 1 1 . 1 1 17 17 GLU C C 17 177.571 177.571 176.051 1.520 25762 70 1 1 . 1 1 17 17 GLU CA C 17 55.900 55.900 54.825 1.075 25762 71 1 1 . 1 1 17 17 GLU CB C 17 30.500 30.500 31.158 -0.658 25762 72 1 1 . 1 1 17 17 GLU H H 17 8.250 8.250 8.378 -0.128 25762 73 1 1 . 1 1 18 18 TRP N N 18 122.718 122.718 121.094 1.624 25762 74 1 1 . 1 1 18 18 TRP HA H 18 4.040 4.040 4.250 -0.210 25762 75 1 1 . 1 1 18 18 TRP C C 18 176.310 176.310 176.557 -0.247 25762 76 1 1 . 1 1 18 18 TRP CA C 18 58.515 58.515 57.761 0.754 25762 77 1 1 . 1 1 18 18 TRP CB C 18 30.365 30.365 29.193 1.172 25762 78 1 1 . 1 1 18 18 TRP H H 18 8.319 8.319 8.263 0.056 25762 79 1 1 . 1 1 19 19 GLN N N 19 123.305 123.305 121.619 1.686 25762 80 1 1 . 1 1 19 19 GLN HA H 19 4.530 4.530 4.538 -0.008 25762 81 1 1 . 1 1 19 19 GLN C C 19 175.571 175.571 175.176 0.395 25762 82 1 1 . 1 1 19 19 GLN CA C 19 54.186 54.186 54.184 0.002 25762 83 1 1 . 1 1 19 19 GLN CB C 19 29.897 29.897 29.653 0.244 25762 84 1 1 . 1 1 19 19 GLN H H 19 9.140 9.140 8.958 0.182 25762 85 1 1 . 1 1 20 20 TRP N N 20 125.311 125.311 125.959 -0.648 25762 86 1 1 . 1 1 20 20 TRP HA H 20 5.290 5.290 4.773 0.517 25762 87 1 1 . 1 1 20 20 TRP C C 20 177.596 177.596 176.696 0.900 25762 88 1 1 . 1 1 20 20 TRP CA C 20 56.651 56.651 56.580 0.071 25762 89 1 1 . 1 1 20 20 TRP CB C 20 32.720 32.720 30.590 2.130 25762 90 1 1 . 1 1 20 20 TRP H H 20 8.783 8.783 8.663 0.120 25762 91 1 1 . 1 1 21 21 SER N N 21 120.041 120.041 117.775 2.266 25762 92 1 1 . 1 1 21 21 SER HA H 21 4.440 4.440 4.914 -0.474 25762 93 1 1 . 1 1 21 21 SER C C 21 173.795 173.795 173.932 -0.137 25762 94 1 1 . 1 1 21 21 SER CA C 21 57.292 57.292 57.399 -0.107 25762 95 1 1 . 1 1 21 21 SER CB C 21 65.435 65.435 63.924 1.511 25762 96 1 1 . 1 1 21 21 SER H H 21 9.173 9.173 8.948 0.225 25762 97 1 1 . 1 1 22 22 VAL N N 22 115.336 115.336 118.754 -3.418 25762 98 1 1 . 1 1 22 22 VAL HA H 22 4.130 4.130 4.297 -0.167 25762 99 1 1 . 1 1 22 22 VAL C C 22 175.183 175.183 175.434 -0.251 25762 100 1 1 . 1 1 22 22 VAL CA C 22 62.008 62.008 61.402 0.606 25762 101 1 1 . 1 1 22 22 VAL CB C 22 32.859 32.859 32.942 -0.083 25762 102 1 1 . 1 1 22 22 VAL H H 22 8.099 8.099 8.217 -0.118 25762 103 1 1 . 1 1 23 23 CYS N N 23 122.154 122.154 124.308 -2.154 25762 104 1 1 . 1 1 23 23 CYS HA H 23 4.330 4.330 4.304 0.026 25762 105 1 1 . 1 1 23 23 CYS C C 23 173.335 173.335 175.384 -2.049 25762 106 1 1 . 1 1 23 23 CYS CA C 23 56.598 56.598 59.292 -2.694 25762 107 1 1 . 1 1 23 23 CYS CB C 23 42.166 42.166 25.761 16.405 25762 108 1 1 . 1 1 23 23 CYS H H 23 8.433 8.433 8.432 0.001 25762 109 1 1 . 1 1 24 24 VAL N N 24 133.008 133.008 130.768 2.240 25762 110 1 1 . 1 1 24 24 VAL HA H 24 4.260 4.260 4.448 -0.188 25762 111 1 1 . 1 1 24 24 VAL CA C 24 59.409 59.409 59.778 -0.368 25762 112 1 1 . 1 1 24 24 VAL CB C 24 33.572 33.572 32.586 0.986 25762 113 1 1 . 1 1 24 24 VAL H H 24 8.790 8.790 8.519 0.271 25762 114 1 1 . 1 1 25 25 PRO HA H 25 4.380 4.380 4.390 -0.010 25762 115 1 1 . 1 1 25 25 PRO C C 25 176.853 176.853 178.087 -1.234 25762 116 1 1 . 1 1 25 25 PRO CA C 25 62.700 62.700 64.723 -2.023 25762 117 1 1 . 1 1 25 25 PRO CB C 25 31.600 31.600 32.311 -0.711 25762 118 1 1 . 1 1 26 26 THR N N 26 121.729 121.729 110.330 11.399 25762 119 1 1 . 1 1 26 26 THR HA H 26 3.970 3.970 3.937 0.033 25762 120 1 1 . 1 1 26 26 THR C C 26 174.891 174.891 174.364 0.527 25762 121 1 1 . 1 1 26 26 THR CA C 26 65.598 65.598 63.223 2.375 25762 122 1 1 . 1 1 26 26 THR CB C 26 69.136 69.136 68.023 1.113 25762 123 1 1 . 1 1 26 26 THR H H 26 9.199 9.199 8.134 1.065 25762 124 1 1 . 1 1 27 27 SER N N 27 115.495 115.495 116.877 -1.382 25762 125 1 1 . 1 1 27 27 SER HA H 27 4.590 4.590 4.195 0.395 25762 126 1 1 . 1 1 27 27 SER C C 27 173.700 173.700 173.653 0.047 25762 127 1 1 . 1 1 27 27 SER CA C 27 57.326 57.326 59.731 -2.405 25762 128 1 1 . 1 1 27 27 SER CB C 27 64.749 64.749 63.172 1.577 25762 129 1 1 . 1 1 27 27 SER H H 27 8.676 8.676 8.075 0.601 25762 130 1 1 . 1 1 28 28 GLY N N 28 111.492 111.492 114.172 -2.680 25762 131 1 1 . 1 1 28 28 GLY C C 28 173.803 173.803 173.291 0.512 25762 132 1 1 . 1 1 28 28 GLY CA C 28 45.965 45.965 45.079 0.886 25762 133 1 1 . 1 1 28 28 GLY H H 28 8.482 8.482 8.483 -0.001 25762 134 1 1 . 1 1 29 29 ASP N N 29 118.893 118.893 120.255 -1.362 25762 135 1 1 . 1 1 29 29 ASP HA H 29 4.750 4.750 4.386 0.364 25762 136 1 1 . 1 1 29 29 ASP C C 29 175.806 175.806 175.989 -0.183 25762 137 1 1 . 1 1 29 29 ASP CA C 29 53.476 53.476 55.380 -1.904 25762 138 1 1 . 1 1 29 29 ASP CB C 29 42.140 42.140 39.851 2.289 25762 139 1 1 . 1 1 29 29 ASP H H 29 8.412 8.412 8.613 -0.201 25762 140 1 1 . 1 1 30 30 CYS N N 30 113.937 113.937 114.086 -0.149 25762 141 1 1 . 1 1 30 30 CYS HA H 30 3.840 3.840 4.232 -0.392 25762 142 1 1 . 1 1 30 30 CYS C C 30 170.767 170.767 174.373 -3.606 25762 143 1 1 . 1 1 30 30 CYS CA C 30 56.060 56.060 59.233 -3.174 25762 144 1 1 . 1 1 30 30 CYS CB C 30 47.900 47.900 25.735 22.165 25762 145 1 1 . 1 1 30 30 CYS H H 30 7.983 7.983 8.415 -0.432 25762 146 1 1 . 1 1 31 31 GLY N N 31 110.972 110.972 110.104 0.868 25762 147 1 1 . 1 1 31 31 GLY C C 31 173.804 173.804 173.151 0.653 25762 148 1 1 . 1 1 31 31 GLY CA C 31 44.043 44.043 44.288 -0.245 25762 149 1 1 . 1 1 31 31 GLY H H 31 9.376 9.376 8.115 1.261 25762 150 1 1 . 1 1 32 32 LEU N N 32 123.077 123.077 124.631 -1.554 25762 151 1 1 . 1 1 32 32 LEU HA H 32 4.440 4.440 4.219 0.221 25762 152 1 1 . 1 1 32 32 LEU C C 32 177.802 177.802 176.831 0.971 25762 153 1 1 . 1 1 32 32 LEU CA C 32 55.904 55.904 55.840 0.064 25762 154 1 1 . 1 1 32 32 LEU CB C 32 42.825 42.825 43.358 -0.534 25762 155 1 1 . 1 1 32 32 LEU H H 32 8.493 8.493 8.623 -0.130 25762 156 1 1 . 1 1 33 33 GLY N N 33 110.436 110.436 109.002 1.434 25762 157 1 1 . 1 1 33 33 GLY C C 33 174.279 174.279 172.713 1.566 25762 158 1 1 . 1 1 33 33 GLY CA C 33 45.930 45.930 44.312 1.618 25762 159 1 1 . 1 1 33 33 GLY H H 33 8.658 8.658 7.996 0.662 25762 160 1 1 . 1 1 34 34 THR N N 34 113.118 113.118 111.412 1.706 25762 161 1 1 . 1 1 34 34 THR HA H 34 5.166 5.166 5.088 0.078 25762 162 1 1 . 1 1 34 34 THR C C 34 173.246 173.246 173.028 0.218 25762 163 1 1 . 1 1 34 34 THR CA C 34 60.776 60.776 60.488 0.288 25762 164 1 1 . 1 1 34 34 THR CB C 34 72.892 72.892 72.055 0.837 25762 165 1 1 . 1 1 34 34 THR H H 34 8.040 8.040 8.204 -0.164 25762 166 1 1 . 1 1 35 35 ARG N N 35 120.371 120.371 122.542 -2.171 25762 167 1 1 . 1 1 35 35 ARG HA H 35 4.980 4.980 4.837 0.143 25762 168 1 1 . 1 1 35 35 ARG C C 35 173.802 173.802 173.839 -0.037 25762 169 1 1 . 1 1 35 35 ARG CA C 35 54.100 54.100 54.816 -0.716 25762 170 1 1 . 1 1 35 35 ARG CB C 35 33.790 33.790 34.560 -0.770 25762 171 1 1 . 1 1 35 35 ARG H H 35 9.104 9.104 9.263 -0.159 25762 172 1 1 . 1 1 36 36 GLU N N 36 122.259 122.259 124.888 -2.629 25762 173 1 1 . 1 1 36 36 GLU HA H 36 5.160 5.160 5.260 -0.100 25762 174 1 1 . 1 1 36 36 GLU C C 36 175.960 175.960 175.127 0.833 25762 175 1 1 . 1 1 36 36 GLU CA C 36 55.209 55.209 54.597 0.612 25762 176 1 1 . 1 1 36 36 GLU CB C 36 32.652 32.652 32.779 -0.127 25762 177 1 1 . 1 1 36 36 GLU H H 36 8.750 8.750 8.772 -0.022 25762 178 1 1 . 1 1 37 37 GLY N N 37 116.895 116.895 110.614 6.281 25762 179 1 1 . 1 1 37 37 GLY C C 37 173.097 173.097 172.685 0.412 25762 180 1 1 . 1 1 37 37 GLY CA C 37 44.195 44.195 44.038 0.157 25762 181 1 1 . 1 1 37 37 GLY H H 37 9.479 9.479 9.059 0.420 25762 182 1 1 . 1 1 38 38 THR N N 38 114.848 114.848 113.209 1.639 25762 183 1 1 . 1 1 38 38 THR HA H 38 5.540 5.540 5.462 0.078 25762 184 1 1 . 1 1 38 38 THR C C 38 173.004 173.004 172.681 0.323 25762 185 1 1 . 1 1 38 38 THR CA C 38 59.751 59.751 60.027 -0.276 25762 186 1 1 . 1 1 38 38 THR CB C 38 72.666 72.666 72.147 0.520 25762 187 1 1 . 1 1 38 38 THR H H 38 8.485 8.485 8.339 0.146 25762 188 1 1 . 1 1 39 39 ARG N N 39 119.072 119.072 121.143 -2.071 25762 189 1 1 . 1 1 39 39 ARG HA H 39 4.640 4.640 4.490 0.150 25762 190 1 1 . 1 1 39 39 ARG C C 39 174.649 174.649 173.847 0.802 25762 191 1 1 . 1 1 39 39 ARG CA C 39 54.587 54.587 54.895 -0.308 25762 192 1 1 . 1 1 39 39 ARG CB C 39 33.285 33.285 33.708 -0.423 25762 193 1 1 . 1 1 39 39 ARG H H 39 8.231 8.231 9.139 -0.908 25762 194 1 1 . 1 1 40 40 THR N N 40 111.009 111.009 114.670 -3.661 25762 195 1 1 . 1 1 40 40 THR HA H 40 4.440 4.440 5.456 -1.016 25762 196 1 1 . 1 1 40 40 THR C C 40 173.890 173.890 174.818 -0.928 25762 197 1 1 . 1 1 40 40 THR CA C 40 60.431 60.431 59.771 0.660 25762 198 1 1 . 1 1 40 40 THR CB C 40 71.163 71.163 71.352 -0.189 25762 199 1 1 . 1 1 40 40 THR H H 40 8.097 8.097 8.052 0.045 25762 200 1 1 . 1 1 41 41 GLY N N 41 110.094 110.094 108.441 1.653 25762 201 1 1 . 1 1 41 41 GLY C C 41 174.489 174.489 175.042 -0.553 25762 202 1 1 . 1 1 41 41 GLY CA C 41 45.487 45.487 43.344 2.143 25762 203 1 1 . 1 1 41 41 GLY H H 41 8.146 8.146 8.348 -0.202 25762 204 1 1 . 1 1 42 42 ALA N N 42 130.030 130.030 121.411 8.619 25762 205 1 1 . 1 1 42 42 ALA HA H 42 4.150 4.150 4.259 -0.109 25762 206 1 1 . 1 1 42 42 ALA C C 42 179.063 179.063 178.229 0.834 25762 207 1 1 . 1 1 42 42 ALA CA C 42 54.737 54.737 54.038 0.700 25762 208 1 1 . 1 1 42 42 ALA CB C 42 19.258 19.258 19.360 -0.102 25762 209 1 1 . 1 1 42 42 ALA H H 42 8.844 8.844 8.298 0.546 25762 210 1 1 . 1 1 43 43 GLU N N 43 116.721 116.721 114.599 2.122 25762 211 1 1 . 1 1 43 43 GLU HA H 43 4.350 4.350 4.333 0.017 25762 212 1 1 . 1 1 43 43 GLU C C 43 175.825 175.825 175.753 0.072 25762 213 1 1 . 1 1 43 43 GLU CA C 43 54.964 54.964 55.547 -0.583 25762 214 1 1 . 1 1 43 43 GLU CB C 43 29.372 29.372 28.830 0.542 25762 215 1 1 . 1 1 43 43 GLU H H 43 9.070 9.070 8.050 1.020 25762 216 1 1 . 1 1 44 44 CYS N N 44 120.031 120.031 116.344 3.687 25762 217 1 1 . 1 1 44 44 CYS C C 44 174.887 174.887 173.756 1.131 25762 218 1 1 . 1 1 44 44 CYS CA C 44 55.287 55.287 58.858 -3.571 25762 219 1 1 . 1 1 44 44 CYS CB C 44 41.215 41.215 24.610 16.605 25762 220 1 1 . 1 1 44 44 CYS H H 44 7.427 7.427 7.679 -0.252 25762 221 1 1 . 1 1 45 45 LYS N N 45 127.192 127.192 119.360 7.832 25762 222 1 1 . 1 1 45 45 LYS HA H 45 4.220 4.220 4.182 0.038 25762 223 1 1 . 1 1 45 45 LYS C C 45 176.464 176.464 176.856 -0.392 25762 224 1 1 . 1 1 45 45 LYS CA C 45 57.793 57.793 56.241 1.552 25762 225 1 1 . 1 1 45 45 LYS CB C 45 32.251 32.251 32.914 -0.663 25762 226 1 1 . 1 1 45 45 LYS H H 45 8.655 8.655 7.911 0.744 25762 227 1 1 . 1 1 46 46 GLN N N 46 119.454 119.454 122.267 -2.813 25762 228 1 1 . 1 1 46 46 GLN HA H 46 4.690 4.690 4.489 0.201 25762 229 1 1 . 1 1 46 46 GLN C C 46 175.524 175.524 175.390 0.134 25762 230 1 1 . 1 1 46 46 GLN CA C 46 55.759 55.759 55.351 0.408 25762 231 1 1 . 1 1 46 46 GLN CB C 46 29.672 29.672 29.158 0.514 25762 232 1 1 . 1 1 46 46 GLN H H 46 7.831 7.831 8.561 -0.730 25762 233 1 1 . 1 1 47 47 THR N N 47 116.122 116.122 121.829 -5.707 25762 234 1 1 . 1 1 47 47 THR HA H 47 4.701 4.701 4.537 0.164 25762 235 1 1 . 1 1 47 47 THR C C 47 173.458 173.458 173.078 0.380 25762 236 1 1 . 1 1 47 47 THR CA C 47 61.693 61.693 62.650 -0.957 25762 237 1 1 . 1 1 47 47 THR CB C 47 69.773 69.773 69.014 0.758 25762 238 1 1 . 1 1 47 47 THR H H 47 8.633 8.633 8.690 -0.057 25762 239 1 1 . 1 1 48 48 MET N N 48 121.378 121.378 122.120 -0.742 25762 240 1 1 . 1 1 48 48 MET HA H 48 5.610 5.610 5.498 0.112 25762 241 1 1 . 1 1 48 48 MET C C 48 174.850 174.850 174.593 0.257 25762 242 1 1 . 1 1 48 48 MET CA C 48 55.321 55.321 54.408 0.913 25762 243 1 1 . 1 1 48 48 MET CB C 48 36.529 36.529 37.477 -0.949 25762 244 1 1 . 1 1 48 48 MET H H 48 7.838 7.838 8.769 -0.931 25762 245 1 1 . 1 1 49 49 LYS N N 49 123.748 123.748 121.051 2.697 25762 246 1 1 . 1 1 49 49 LYS HA H 49 4.560 4.560 4.864 -0.304 25762 247 1 1 . 1 1 49 49 LYS C C 49 173.773 173.773 174.605 -0.832 25762 248 1 1 . 1 1 49 49 LYS CA C 49 55.899 55.899 56.242 -0.344 25762 249 1 1 . 1 1 49 49 LYS CB C 49 36.032 36.032 36.762 -0.730 25762 250 1 1 . 1 1 49 49 LYS H H 49 8.539 8.539 9.236 -0.697 25762 251 1 1 . 1 1 50 50 THR N N 50 117.276 117.276 120.997 -3.721 25762 252 1 1 . 1 1 50 50 THR HA H 50 5.330 5.330 5.129 0.201 25762 253 1 1 . 1 1 50 50 THR C C 50 174.047 174.047 173.887 0.160 25762 254 1 1 . 1 1 50 50 THR CA C 50 61.169 61.169 61.330 -0.161 25762 255 1 1 . 1 1 50 50 THR CB C 50 71.019 71.019 70.332 0.687 25762 256 1 1 . 1 1 50 50 THR H H 50 8.416 8.416 8.489 -0.073 25762 257 1 1 . 1 1 51 51 GLN N N 51 123.996 123.996 123.587 0.409 25762 258 1 1 . 1 1 51 51 GLN HA H 51 4.680 4.680 4.828 -0.148 25762 259 1 1 . 1 1 51 51 GLN C C 51 174.453 174.453 174.321 0.132 25762 260 1 1 . 1 1 51 51 GLN CA C 51 54.079 54.079 54.290 -0.211 25762 261 1 1 . 1 1 51 51 GLN CB C 51 34.352 34.352 33.029 1.323 25762 262 1 1 . 1 1 51 51 GLN H H 51 9.034 9.034 9.118 -0.084 25762 263 1 1 . 1 1 52 52 ARG N N 52 124.759 124.759 121.091 3.668 25762 264 1 1 . 1 1 52 52 ARG HA H 52 4.600 4.600 5.001 -0.401 25762 265 1 1 . 1 1 52 52 ARG C C 52 174.978 174.978 175.564 -0.586 25762 266 1 1 . 1 1 52 52 ARG CA C 52 56.600 56.600 55.239 1.361 25762 267 1 1 . 1 1 52 52 ARG CB C 52 30.812 30.812 31.083 -0.271 25762 268 1 1 . 1 1 52 52 ARG H H 52 8.520 8.520 8.546 -0.026 25762 269 1 1 . 1 1 53 53 CYS N N 53 120.158 120.158 123.727 -3.569 25762 270 1 1 . 1 1 53 53 CYS HA H 53 4.130 4.130 4.761 -0.631 25762 271 1 1 . 1 1 53 53 CYS C C 53 170.755 170.755 174.796 -4.041 25762 272 1 1 . 1 1 53 53 CYS CA C 53 54.574 54.574 57.770 -3.196 25762 273 1 1 . 1 1 53 53 CYS CB C 53 47.178 47.178 29.050 18.128 25762 274 1 1 . 1 1 53 53 CYS H H 53 8.167 8.167 8.645 -0.478 25762 275 1 1 . 1 1 54 54 LYS N N 54 120.283 120.283 120.602 -0.319 25762 276 1 1 . 1 1 54 54 LYS HA H 54 4.840 4.840 4.502 0.338 25762 277 1 1 . 1 1 54 54 LYS C C 54 175.166 175.166 175.529 -0.363 25762 278 1 1 . 1 1 54 54 LYS CA C 54 55.611 55.611 55.592 0.019 25762 279 1 1 . 1 1 54 54 LYS CB C 54 36.066 36.066 33.138 2.929 25762 280 1 1 . 1 1 54 54 LYS H H 54 8.489 8.489 8.321 0.168 25762 281 1 1 . 1 1 55 55 ILE N N 55 126.794 126.794 123.346 3.448 25762 282 1 1 . 1 1 55 55 ILE HA H 55 4.600 4.600 4.555 0.045 25762 283 1 1 . 1 1 55 55 ILE CA C 55 57.299 57.299 57.886 -0.587 25762 284 1 1 . 1 1 55 55 ILE CB C 55 41.759 41.759 39.739 2.019 25762 285 1 1 . 1 1 55 55 ILE H H 55 8.673 8.673 8.369 0.304 25762 286 1 1 . 1 1 56 56 PRO HA H 56 4.360 4.360 4.463 -0.103 25762 287 1 1 . 1 1 56 56 PRO C C 56 176.748 176.748 175.337 1.411 25762 288 1 1 . 1 1 56 56 PRO CA C 56 63.790 63.790 62.733 1.057 25762 289 1 1 . 1 1 56 56 PRO CB C 56 32.200 32.200 32.271 -0.071 25762 290 1 1 . 1 1 57 57 CYS N N 57 121.411 121.411 122.435 -1.024 25762 291 1 1 . 1 1 57 57 CYS HA H 57 4.160 4.160 4.731 -0.571 25762 292 1 1 . 1 1 57 57 CYS C C 57 174.867 174.867 174.989 -0.122 25762 293 1 1 . 1 1 57 57 CYS CA C 57 54.490 54.490 57.178 -2.688 25762 294 1 1 . 1 1 57 57 CYS CB C 57 43.090 43.090 30.226 12.864 25762 295 1 1 . 1 1 57 57 CYS H H 57 8.782 8.782 8.141 0.641 25762 296 1 1 . 1 1 58 58 ASN N N 58 120.918 120.918 121.049 -0.131 25762 297 1 1 . 1 1 58 58 ASN HA H 58 4.620 4.620 4.614 0.006 25762 298 1 1 . 1 1 58 58 ASN C C 58 175.129 175.129 175.052 0.077 25762 299 1 1 . 1 1 58 58 ASN CA C 58 53.832 53.832 53.614 0.218 25762 300 1 1 . 1 1 58 58 ASN CB C 58 38.634 38.634 38.971 -0.337 25762 301 1 1 . 1 1 58 58 ASN H H 58 8.551 8.551 8.658 -0.107 25762 302 1 1 . 1 1 59 59 TRP N N 59 121.791 121.791 119.369 2.422 25762 303 1 1 . 1 1 59 59 TRP HA H 59 4.604 4.604 4.276 0.328 25762 304 1 1 . 1 1 59 59 TRP C C 59 176.374 176.374 175.995 0.379 25762 305 1 1 . 1 1 59 59 TRP CA C 59 57.605 57.605 57.330 0.275 25762 306 1 1 . 1 1 59 59 TRP CB C 59 29.487 29.487 27.490 1.997 25762 307 1 1 . 1 1 59 59 TRP H H 59 8.010 8.010 7.980 0.030 25762 308 1 1 . 1 1 60 60 LYS N N 60 122.289 122.289 123.161 -0.872 25762 309 1 1 . 1 1 60 60 LYS HA H 60 4.070 4.070 4.216 -0.146 25762 310 1 1 . 1 1 60 60 LYS C C 60 176.685 176.685 177.475 -0.790 25762 311 1 1 . 1 1 60 60 LYS CA C 60 56.926 56.926 56.241 0.685 25762 312 1 1 . 1 1 60 60 LYS CB C 60 32.877 32.877 32.959 -0.082 25762 313 1 1 . 1 1 60 60 LYS H H 60 7.751 7.751 8.085 -0.334 25762 314 1 1 . 1 1 61 61 LYS N N 61 121.691 121.691 118.540 3.151 25762 315 1 1 . 1 1 61 61 LYS HA H 61 4.160 4.160 4.071 0.089 25762 316 1 1 . 1 1 61 61 LYS C C 61 176.731 176.731 175.309 1.422 25762 317 1 1 . 1 1 61 61 LYS CA C 61 56.804 56.804 56.706 0.098 25762 318 1 1 . 1 1 61 61 LYS CB C 61 32.910 32.910 30.714 2.196 25762 319 1 1 . 1 1 61 61 LYS H H 61 7.963 7.963 8.584 -0.621 25762 320 1 1 . 1 1 62 62 GLN N N 62 120.611 120.611 119.533 1.078 25762 321 1 1 . 1 1 62 62 GLN HA H 62 4.240 4.240 4.551 -0.311 25762 322 1 1 . 1 1 62 62 GLN C C 62 175.696 175.696 174.517 1.179 25762 323 1 1 . 1 1 62 62 GLN CA C 62 56.416 56.416 55.061 1.355 25762 324 1 1 . 1 1 62 62 GLN CB C 62 29.722 29.722 29.738 -0.016 25762 325 1 1 . 1 1 62 62 GLN H H 62 8.177 8.177 7.521 0.656 25762 326 1 1 . 1 1 63 63 PHE N N 63 119.964 119.964 120.903 -0.939 25762 327 1 1 . 1 1 63 63 PHE HA H 63 4.750 4.750 4.519 0.231 25762 328 1 1 . 1 1 63 63 PHE C C 63 175.958 175.958 174.769 1.189 25762 329 1 1 . 1 1 63 63 PHE CA C 63 57.339 57.339 57.784 -0.445 25762 330 1 1 . 1 1 63 63 PHE CB C 63 39.813 39.813 39.401 0.412 25762 331 1 1 . 1 1 63 63 PHE H H 63 7.990 7.990 9.019 -1.029 25762 332 1 1 . 1 1 64 64 GLY N N 64 110.674 110.674 105.863 4.811 25762 333 1 1 . 1 1 64 64 GLY C C 64 174.297 174.297 172.735 1.562 25762 334 1 1 . 1 1 64 64 GLY CA C 64 45.306 45.306 45.218 0.088 25762 335 1 1 . 1 1 64 64 GLY H H 64 8.427 8.427 7.548 0.879 25762 336 1 1 . 1 1 65 65 ALA N N 65 124.213 124.213 126.768 -2.555 25762 337 1 1 . 1 1 65 65 ALA HA H 65 4.260 4.260 4.670 -0.410 25762 338 1 1 . 1 1 65 65 ALA C C 65 178.028 178.028 178.383 -0.355 25762 339 1 1 . 1 1 65 65 ALA CA C 65 53.400 53.400 52.511 0.889 25762 340 1 1 . 1 1 65 65 ALA CB C 65 19.372 19.372 19.499 -0.127 25762 341 1 1 . 1 1 65 65 ALA H H 65 8.316 8.316 8.517 -0.201 25762 342 1 1 . 1 1 66 66 GLU N N 66 117.489 117.489 118.162 -0.673 25762 343 1 1 . 1 1 66 66 GLU HA H 66 4.240 4.240 4.572 -0.332 25762 344 1 1 . 1 1 66 66 GLU C C 66 175.127 175.127 176.129 -1.002 25762 345 1 1 . 1 1 66 66 GLU CA C 66 57.205 57.205 55.775 1.430 25762 346 1 1 . 1 1 66 66 GLU CB C 66 29.924 29.924 30.226 -0.302 25762 347 1 1 . 1 1 66 66 GLU H H 66 8.697 8.697 8.610 0.087 25762 348 1 1 . 1 1 67 67 CYS N N 67 119.305 119.305 118.419 0.886 25762 349 1 1 . 1 1 67 67 CYS HA H 67 4.310 4.310 4.461 -0.151 25762 350 1 1 . 1 1 67 67 CYS C C 67 172.436 172.436 174.465 -2.029 25762 351 1 1 . 1 1 67 67 CYS CA C 67 53.300 53.300 58.224 -4.924 25762 352 1 1 . 1 1 67 67 CYS CB C 67 41.122 41.122 28.657 12.466 25762 353 1 1 . 1 1 67 67 CYS H H 67 7.758 7.758 7.905 -0.147 25762 354 1 1 . 1 1 68 68 LYS N N 68 123.248 123.248 121.404 1.844 25762 355 1 1 . 1 1 68 68 LYS HA H 68 4.680 4.680 4.716 -0.036 25762 356 1 1 . 1 1 68 68 LYS C C 68 174.804 174.804 174.460 0.344 25762 357 1 1 . 1 1 68 68 LYS CA C 68 54.009 54.009 55.883 -1.874 25762 358 1 1 . 1 1 68 68 LYS CB C 68 33.651 33.651 34.911 -1.260 25762 359 1 1 . 1 1 68 68 LYS H H 68 8.174 8.174 8.678 -0.504 25762 360 1 1 . 1 1 69 69 TYR N N 69 122.635 122.635 123.937 -1.302 25762 361 1 1 . 1 1 69 69 TYR HA H 69 4.410 4.410 5.204 -0.794 25762 362 1 1 . 1 1 69 69 TYR C C 69 174.602 174.602 174.117 0.485 25762 363 1 1 . 1 1 69 69 TYR CA C 69 58.204 58.204 57.382 0.822 25762 364 1 1 . 1 1 69 69 TYR CB C 69 42.100 42.100 41.980 0.120 25762 365 1 1 . 1 1 69 69 TYR H H 69 8.769 8.769 8.760 0.009 25762 366 1 1 . 1 1 70 70 GLN N N 70 120.984 120.984 125.411 -4.427 25762 367 1 1 . 1 1 70 70 GLN HA H 70 4.590 4.590 4.691 -0.101 25762 368 1 1 . 1 1 70 70 GLN C C 70 175.634 175.634 174.187 1.447 25762 369 1 1 . 1 1 70 70 GLN CA C 70 54.108 54.108 53.894 0.214 25762 370 1 1 . 1 1 70 70 GLN CB C 70 29.900 29.900 31.945 -2.046 25762 371 1 1 . 1 1 70 70 GLN H H 70 8.573 8.573 8.021 0.552 25762 372 1 1 . 1 1 71 71 PHE N N 71 127.389 127.389 124.936 2.453 25762 373 1 1 . 1 1 71 71 PHE HA H 71 4.970 4.970 5.126 -0.156 25762 374 1 1 . 1 1 71 71 PHE C C 71 177.149 177.149 175.913 1.236 25762 375 1 1 . 1 1 71 71 PHE CA C 71 58.976 58.976 57.332 1.644 25762 376 1 1 . 1 1 71 71 PHE CB C 71 40.837 40.837 39.837 1.000 25762 377 1 1 . 1 1 71 71 PHE H H 71 9.255 9.255 8.845 0.410 25762 378 1 1 . 1 1 72 72 GLN N N 72 121.514 121.514 123.662 -2.148 25762 379 1 1 . 1 1 72 72 GLN HA H 72 4.440 4.440 4.915 -0.475 25762 380 1 1 . 1 1 72 72 GLN C C 72 176.721 176.721 173.749 2.972 25762 381 1 1 . 1 1 72 72 GLN CA C 72 54.707 54.707 53.868 0.839 25762 382 1 1 . 1 1 72 72 GLN CB C 72 29.983 29.983 32.939 -2.956 25762 383 1 1 . 1 1 72 72 GLN H H 72 8.273 8.273 9.345 -1.072 25762 384 1 1 . 1 1 73 73 ALA N N 73 122.414 122.414 123.821 -1.407 25762 385 1 1 . 1 1 73 73 ALA HA H 73 4.220 4.220 4.684 -0.464 25762 386 1 1 . 1 1 73 73 ALA C C 73 178.776 178.776 176.162 2.614 25762 387 1 1 . 1 1 73 73 ALA CA C 73 52.751 52.751 52.202 0.549 25762 388 1 1 . 1 1 73 73 ALA CB C 73 19.559 19.559 19.459 0.100 25762 389 1 1 . 1 1 73 73 ALA H H 73 8.293 8.293 8.600 -0.307 25762 390 1 1 . 1 1 74 74 TRP N N 74 120.412 120.412 125.955 -5.543 25762 391 1 1 . 1 1 74 74 TRP HA H 74 4.260 4.260 4.530 -0.270 25762 392 1 1 . 1 1 74 74 TRP C C 74 178.290 178.290 175.895 2.395 25762 393 1 1 . 1 1 74 74 TRP CA C 74 58.982 58.982 57.963 1.019 25762 394 1 1 . 1 1 74 74 TRP CB C 74 30.633 30.633 29.791 0.842 25762 395 1 1 . 1 1 74 74 TRP H H 74 8.136 8.136 8.636 -0.500 25762 396 1 1 . 1 1 75 75 GLY N N 75 109.881 109.881 107.746 2.135 25762 397 1 1 . 1 1 75 75 GLY C C 75 177.700 177.700 172.338 5.362 25762 398 1 1 . 1 1 75 75 GLY CA C 75 44.287 44.287 44.501 -0.214 25762 399 1 1 . 1 1 75 75 GLY H H 75 8.763 8.763 7.642 1.121 25762 400 1 1 . 1 1 76 76 GLU N N 76 116.900 116.900 122.936 -6.036 25762 401 1 1 . 1 1 76 76 GLU HA H 76 4.230 4.230 4.460 -0.230 25762 402 1 1 . 1 1 76 76 GLU C C 76 177.770 177.770 176.922 0.848 25762 403 1 1 . 1 1 76 76 GLU CA C 76 55.700 55.700 54.943 0.757 25762 404 1 1 . 1 1 76 76 GLU CB C 76 30.600 30.600 31.368 -0.768 25762 405 1 1 . 1 1 76 76 GLU H H 76 8.400 8.400 8.430 -0.030 25762 406 1 1 . 1 1 77 77 CYS N N 77 121.846 121.846 124.880 -3.034 25762 407 1 1 . 1 1 77 77 CYS HA H 77 4.150 4.150 4.187 -0.037 25762 408 1 1 . 1 1 77 77 CYS C C 77 174.117 174.117 175.175 -1.058 25762 409 1 1 . 1 1 77 77 CYS CA C 77 56.706 56.706 59.440 -2.734 25762 410 1 1 . 1 1 77 77 CYS CB C 77 41.056 41.056 26.849 14.207 25762 411 1 1 . 1 1 77 77 CYS H H 77 8.980 8.980 8.862 0.118 25762 412 1 1 . 1 1 78 78 ASP N N 78 131.728 131.728 129.125 2.603 25762 413 1 1 . 1 1 78 78 ASP HA H 78 3.370 3.370 4.780 -1.410 25762 414 1 1 . 1 1 78 78 ASP C C 78 176.890 176.890 176.493 0.397 25762 415 1 1 . 1 1 78 78 ASP CA C 78 53.492 53.492 53.979 -0.487 25762 416 1 1 . 1 1 78 78 ASP CB C 78 41.819 41.819 42.023 -0.204 25762 417 1 1 . 1 1 78 78 ASP H H 78 8.279 8.279 8.769 -0.490 25762 418 1 1 . 1 1 79 79 LEU N N 79 127.191 127.191 127.496 -0.305 25762 419 1 1 . 1 1 79 79 LEU HA H 79 3.990 3.990 4.154 -0.164 25762 420 1 1 . 1 1 79 79 LEU C C 79 178.627 178.627 177.913 0.714 25762 421 1 1 . 1 1 79 79 LEU CA C 79 57.179 57.179 57.293 -0.114 25762 422 1 1 . 1 1 79 79 LEU CB C 79 41.642 41.642 41.770 -0.128 25762 423 1 1 . 1 1 79 79 LEU H H 79 8.763 8.763 8.502 0.261 25762 424 1 1 . 1 1 80 80 ASN N N 80 116.238 116.238 116.965 -0.727 25762 425 1 1 . 1 1 80 80 ASN HA H 80 4.590 4.590 4.625 -0.035 25762 426 1 1 . 1 1 80 80 ASN C C 80 176.905 176.905 176.727 0.178 25762 427 1 1 . 1 1 80 80 ASN CA C 80 55.800 55.800 55.163 0.637 25762 428 1 1 . 1 1 80 80 ASN CB C 80 39.151 39.151 38.388 0.763 25762 429 1 1 . 1 1 80 80 ASN H H 80 8.746 8.746 8.286 0.460 25762 430 1 1 . 1 1 81 81 THR N N 81 108.459 108.459 110.017 -1.558 25762 431 1 1 . 1 1 81 81 THR HA H 81 4.240 4.240 4.427 -0.187 25762 432 1 1 . 1 1 81 81 THR C C 81 174.727 174.727 174.578 0.149 25762 433 1 1 . 1 1 81 81 THR CA C 81 61.540 61.540 61.248 0.292 25762 434 1 1 . 1 1 81 81 THR CB C 81 70.900 70.900 69.588 1.312 25762 435 1 1 . 1 1 81 81 THR H H 81 7.666 7.666 8.194 -0.528 25762 436 1 1 . 1 1 82 82 ALA N N 82 122.870 122.870 122.163 0.707 25762 437 1 1 . 1 1 82 82 ALA HA H 82 3.820 3.820 4.016 -0.196 25762 438 1 1 . 1 1 82 82 ALA C C 82 176.506 176.506 175.428 1.078 25762 439 1 1 . 1 1 82 82 ALA CA C 82 53.603 53.603 53.306 0.297 25762 440 1 1 . 1 1 82 82 ALA CB C 82 17.013 17.013 16.966 0.047 25762 441 1 1 . 1 1 82 82 ALA H H 82 8.687 8.687 7.745 0.942 25762 442 1 1 . 1 1 83 83 LEU N N 83 117.374 117.374 115.954 1.420 25762 443 1 1 . 1 1 83 83 LEU HA H 83 5.031 5.031 4.960 0.071 25762 444 1 1 . 1 1 83 83 LEU C C 83 177.616 177.616 175.405 2.211 25762 445 1 1 . 1 1 83 83 LEU CA C 83 54.098 54.098 53.292 0.806 25762 446 1 1 . 1 1 83 83 LEU CB C 83 46.622 46.622 46.488 0.134 25762 447 1 1 . 1 1 83 83 LEU H H 83 7.353 7.353 7.977 -0.624 25762 448 1 1 . 1 1 84 84 LYS N N 84 122.053 122.053 120.120 1.933 25762 449 1 1 . 1 1 84 84 LYS HA H 84 4.940 4.940 4.734 0.206 25762 450 1 1 . 1 1 84 84 LYS C C 84 175.449 175.449 174.441 1.008 25762 451 1 1 . 1 1 84 84 LYS CA C 84 54.287 54.287 55.628 -1.341 25762 452 1 1 . 1 1 84 84 LYS CB C 84 36.060 36.060 36.542 -0.482 25762 453 1 1 . 1 1 84 84 LYS H H 84 9.043 9.043 8.431 0.612 25762 454 1 1 . 1 1 85 85 THR N N 85 114.896 114.896 119.659 -4.763 25762 455 1 1 . 1 1 85 85 THR HA H 85 5.820 5.820 5.436 0.384 25762 456 1 1 . 1 1 85 85 THR C C 85 174.123 174.123 172.943 1.180 25762 457 1 1 . 1 1 85 85 THR CA C 85 61.226 61.226 60.008 1.218 25762 458 1 1 . 1 1 85 85 THR CB C 85 72.857 72.857 70.581 2.276 25762 459 1 1 . 1 1 85 85 THR H H 85 9.011 9.011 8.556 0.455 25762 460 1 1 . 1 1 86 86 ARG N N 86 123.804 123.804 124.886 -1.082 25762 461 1 1 . 1 1 86 86 ARG C C 86 173.792 173.792 174.359 -0.567 25762 462 1 1 . 1 1 86 86 ARG CA C 86 56.720 56.720 54.610 2.110 25762 463 1 1 . 1 1 86 86 ARG CB C 86 33.185 33.185 33.157 0.028 25762 464 1 1 . 1 1 86 86 ARG H H 86 9.056 9.056 8.855 0.201 25762 465 1 1 . 1 1 87 87 THR N N 87 117.796 117.796 118.165 -0.369 25762 466 1 1 . 1 1 87 87 THR HA H 87 5.270 5.270 5.405 -0.135 25762 467 1 1 . 1 1 87 87 THR C C 87 173.939 173.939 173.939 0.000 25762 468 1 1 . 1 1 87 87 THR CA C 87 61.003 61.003 60.927 0.076 25762 469 1 1 . 1 1 87 87 THR CB C 87 71.091 71.091 71.656 -0.565 25762 470 1 1 . 1 1 87 87 THR H H 87 8.387 8.387 9.043 -0.656 25762 471 1 1 . 1 1 88 88 GLY N N 88 112.501 112.501 110.126 2.375 25762 472 1 1 . 1 1 88 88 GLY C C 88 171.645 171.645 171.574 0.071 25762 473 1 1 . 1 1 88 88 GLY CA C 88 44.657 44.657 43.657 1.000 25762 474 1 1 . 1 1 88 88 GLY H H 88 9.074 9.074 8.962 0.112 25762 475 1 1 . 1 1 89 89 SER N N 89 115.802 115.802 114.506 1.296 25762 476 1 1 . 1 1 89 89 SER HA H 89 5.260 5.260 4.935 0.325 25762 477 1 1 . 1 1 89 89 SER C C 89 174.767 174.767 172.457 2.310 25762 478 1 1 . 1 1 89 89 SER CA C 89 56.512 56.512 56.141 0.371 25762 479 1 1 . 1 1 89 89 SER CB C 89 65.434 65.434 66.634 -1.200 25762 480 1 1 . 1 1 89 89 SER H H 89 8.217 8.217 7.691 0.526 25762 481 1 1 . 1 1 90 90 LEU N N 90 128.595 128.595 124.157 4.438 25762 482 1 1 . 1 1 90 90 LEU HA H 90 3.420 3.420 4.674 -1.254 25762 483 1 1 . 1 1 90 90 LEU C C 90 176.399 176.399 176.915 -0.516 25762 484 1 1 . 1 1 90 90 LEU CA C 90 56.558 56.558 55.107 1.451 25762 485 1 1 . 1 1 90 90 LEU CB C 90 43.006 43.006 43.014 -0.008 25762 486 1 1 . 1 1 90 90 LEU H H 90 8.555 8.555 8.660 -0.105 25762 487 1 1 . 1 1 91 91 LYS N N 91 128.646 128.646 124.726 3.920 25762 488 1 1 . 1 1 91 91 LYS HA H 91 4.330 4.330 4.420 -0.090 25762 489 1 1 . 1 1 91 91 LYS C C 91 176.318 176.318 176.852 -0.534 25762 490 1 1 . 1 1 91 91 LYS CA C 91 56.103 56.103 56.072 0.031 25762 491 1 1 . 1 1 91 91 LYS CB C 91 33.565 33.565 33.535 0.030 25762 492 1 1 . 1 1 91 91 LYS H H 91 9.065 9.065 8.938 0.127 25762 493 1 1 . 1 1 92 92 ARG N N 92 118.834 118.834 118.716 0.118 25762 494 1 1 . 1 1 92 92 ARG HA H 92 4.220 4.220 4.397 -0.177 25762 495 1 1 . 1 1 92 92 ARG C C 92 173.259 173.259 173.577 -0.318 25762 496 1 1 . 1 1 92 92 ARG CA C 92 56.259 56.259 56.147 0.112 25762 497 1 1 . 1 1 92 92 ARG CB C 92 32.623 32.623 33.309 -0.686 25762 498 1 1 . 1 1 92 92 ARG H H 92 7.641 7.641 7.521 0.120 25762 499 1 1 . 1 1 93 93 ALA N N 93 127.574 127.574 127.026 0.548 25762 500 1 1 . 1 1 93 93 ALA HA H 93 4.870 4.870 4.692 0.178 25762 501 1 1 . 1 1 93 93 ALA C C 93 177.037 177.037 176.041 0.996 25762 502 1 1 . 1 1 93 93 ALA CA C 93 50.949 50.949 51.096 -0.147 25762 503 1 1 . 1 1 93 93 ALA CB C 93 21.664 21.664 20.771 0.893 25762 504 1 1 . 1 1 93 93 ALA H H 93 8.451 8.451 8.354 0.097 25762 505 1 1 . 1 1 94 94 LEU N N 94 123.296 123.296 121.627 1.669 25762 506 1 1 . 1 1 94 94 LEU HA H 94 4.250 4.250 4.648 -0.398 25762 507 1 1 . 1 1 94 94 LEU C C 94 177.256 177.256 177.821 -0.565 25762 508 1 1 . 1 1 94 94 LEU CA C 94 55.137 55.137 53.855 1.282 25762 509 1 1 . 1 1 94 94 LEU CB C 94 42.697 42.697 43.217 -0.520 25762 510 1 1 . 1 1 94 94 LEU H H 94 8.654 8.654 8.320 0.334 25762 511 1 1 . 1 1 95 95 HIS N N 95 116.413 116.413 118.846 -2.433 25762 512 1 1 . 1 1 95 95 HIS HA H 95 4.430 4.430 4.565 -0.135 25762 513 1 1 . 1 1 95 95 HIS C C 95 174.801 174.801 175.879 -1.078 25762 514 1 1 . 1 1 95 95 HIS CA C 95 56.400 56.400 58.546 -2.146 25762 515 1 1 . 1 1 95 95 HIS CB C 95 28.218 28.218 30.529 -2.311 25762 516 1 1 . 1 1 95 95 HIS H H 95 8.642 8.642 8.673 -0.031 25762 517 1 1 . 1 1 96 96 ASN N N 96 115.824 115.824 117.795 -1.971 25762 518 1 1 . 1 1 96 96 ASN HA H 96 4.450 4.450 4.749 -0.299 25762 519 1 1 . 1 1 96 96 ASN C C 96 175.026 175.026 173.979 1.047 25762 520 1 1 . 1 1 96 96 ASN CA C 96 53.692 53.692 52.592 1.100 25762 521 1 1 . 1 1 96 96 ASN CB C 96 38.056 38.056 39.140 -1.084 25762 522 1 1 . 1 1 96 96 ASN H H 96 8.461 8.461 8.247 0.214 25762 523 1 1 . 1 1 97 97 ALA N N 97 122.558 122.558 122.823 -0.265 25762 524 1 1 . 1 1 97 97 ALA HA H 97 4.130 4.130 4.596 -0.466 25762 525 1 1 . 1 1 97 97 ALA C C 97 177.337 177.337 175.390 1.947 25762 526 1 1 . 1 1 97 97 ALA CA C 97 53.430 53.430 51.931 1.499 25762 527 1 1 . 1 1 97 97 ALA CB C 97 20.204 20.204 20.520 -0.316 25762 528 1 1 . 1 1 97 97 ALA H H 97 7.791 7.791 7.629 0.162 25762 529 1 1 . 1 1 98 98 GLU N N 98 120.504 120.504 121.839 -1.335 25762 530 1 1 . 1 1 98 98 GLU HA H 98 4.320 4.320 4.532 -0.212 25762 531 1 1 . 1 1 98 98 GLU C C 98 176.154 176.154 175.843 0.311 25762 532 1 1 . 1 1 98 98 GLU CA C 98 56.630 56.630 55.949 0.681 25762 533 1 1 . 1 1 98 98 GLU CB C 98 29.496 29.496 31.050 -1.554 25762 534 1 1 . 1 1 98 98 GLU H H 98 8.478 8.478 8.379 0.099 25762 535 1 1 . 1 1 99 99 CYS N N 99 122.399 122.399 120.169 2.230 25762 536 1 1 . 1 1 99 99 CYS HA H 99 4.820 4.820 4.795 0.025 25762 537 1 1 . 1 1 99 99 CYS C C 99 174.711 174.711 173.194 1.517 25762 538 1 1 . 1 1 99 99 CYS CA C 99 53.985 53.985 56.639 -2.655 25762 539 1 1 . 1 1 99 99 CYS CB C 99 44.177 44.177 30.043 14.134 25762 540 1 1 . 1 1 99 99 CYS H H 99 7.978 7.978 8.556 -0.578 25762 541 1 1 . 1 1 100 100 GLN N N 100 123.539 123.539 121.016 2.523 25762 542 1 1 . 1 1 100 100 GLN HA H 100 4.300 4.300 4.517 -0.217 25762 543 1 1 . 1 1 100 100 GLN C C 100 178.317 178.317 175.531 2.786 25762 544 1 1 . 1 1 100 100 GLN CA C 100 56.157 56.157 55.806 0.352 25762 545 1 1 . 1 1 100 100 GLN CB C 100 29.303 29.303 29.157 0.146 25762 546 1 1 . 1 1 100 100 GLN H H 100 8.864 8.864 8.515 0.349 25762 547 1 1 . 1 1 101 101 LYS N N 101 125.153 125.153 121.745 3.408 25762 548 1 1 . 1 1 101 101 LYS HA H 101 4.020 4.020 4.121 -0.101 25762 549 1 1 . 1 1 101 101 LYS C C 101 176.669 176.669 176.781 -0.112 25762 550 1 1 . 1 1 101 101 LYS CA C 101 59.876 59.876 57.905 1.971 25762 551 1 1 . 1 1 101 101 LYS CB C 101 32.760 32.760 32.764 -0.004 25762 552 1 1 . 1 1 101 101 LYS H H 101 9.063 9.063 8.816 0.247 25762 553 1 1 . 1 1 102 102 THR N N 102 111.208 111.208 113.114 -1.906 25762 554 1 1 . 1 1 102 102 THR HA H 102 5.260 5.260 5.092 0.168 25762 555 1 1 . 1 1 102 102 THR C C 102 173.097 173.097 173.079 0.018 25762 556 1 1 . 1 1 102 102 THR CA C 102 59.922 59.922 60.724 -0.802 25762 557 1 1 . 1 1 102 102 THR CB C 102 71.788 71.788 70.780 1.008 25762 558 1 1 . 1 1 102 102 THR H H 102 7.706 7.706 7.525 0.181 25762 559 1 1 . 1 1 103 103 VAL N N 103 117.395 117.395 120.756 -3.361 25762 560 1 1 . 1 1 103 103 VAL HA H 103 4.510 4.510 4.698 -0.188 25762 561 1 1 . 1 1 103 103 VAL C C 103 174.132 174.132 173.706 0.426 25762 562 1 1 . 1 1 103 103 VAL CA C 103 59.538 59.538 60.301 -0.763 25762 563 1 1 . 1 1 103 103 VAL CB C 103 35.523 35.523 35.158 0.365 25762 564 1 1 . 1 1 103 103 VAL H H 103 8.192 8.192 8.998 -0.806 25762 565 1 1 . 1 1 104 104 THR N N 104 117.862 117.862 119.781 -1.919 25762 566 1 1 . 1 1 104 104 THR HA H 104 5.098 5.098 5.058 0.040 25762 567 1 1 . 1 1 104 104 THR C C 104 173.646 173.646 173.599 0.047 25762 568 1 1 . 1 1 104 104 THR CA C 104 61.458 61.458 61.125 0.333 25762 569 1 1 . 1 1 104 104 THR CB C 104 71.177 71.177 69.919 1.258 25762 570 1 1 . 1 1 104 104 THR H H 104 8.332 8.332 8.357 -0.025 25762 571 1 1 . 1 1 105 105 ILE N N 105 124.431 124.431 128.351 -3.920 25762 572 1 1 . 1 1 105 105 ILE HA H 105 4.670 4.670 4.581 0.089 25762 573 1 1 . 1 1 105 105 ILE C C 105 174.296 174.296 173.267 1.029 25762 574 1 1 . 1 1 105 105 ILE CA C 105 59.695 59.695 60.571 -0.876 25762 575 1 1 . 1 1 105 105 ILE CB C 105 41.116 41.116 41.463 -0.347 25762 576 1 1 . 1 1 105 105 ILE H H 105 8.868 8.868 8.497 0.371 25762 577 1 1 . 1 1 106 106 SER N N 106 118.430 118.430 123.103 -4.673 25762 578 1 1 . 1 1 106 106 SER HA H 106 3.760 3.760 5.421 -1.661 25762 579 1 1 . 1 1 106 106 SER C C 106 173.441 173.441 173.142 0.299 25762 580 1 1 . 1 1 106 106 SER CA C 106 56.877 56.877 57.021 -0.144 25762 581 1 1 . 1 1 106 106 SER CB C 106 67.115 67.115 64.791 2.324 25762 582 1 1 . 1 1 106 106 SER H H 106 8.559 8.559 8.563 -0.004 25762 583 1 1 . 1 1 107 107 LYS N N 107 121.976 121.976 125.834 -3.858 25762 584 1 1 . 1 1 107 107 LYS CA C 107 53.625 53.625 52.828 0.797 25762 585 1 1 . 1 1 107 107 LYS CB C 107 35.515 35.515 35.131 0.384 25762 586 1 1 . 1 1 107 107 LYS H H 107 9.060 9.060 9.072 -0.012 25762 587 1 1 . 1 1 108 108 PRO HA H 108 4.940 4.940 4.550 0.390 25762 588 1 1 . 1 1 108 108 PRO C C 108 176.741 176.741 175.935 0.806 25762 589 1 1 . 1 1 108 108 PRO CA C 108 62.870 62.870 62.979 -0.109 25762 590 1 1 . 1 1 108 108 PRO CB C 108 32.590 32.590 31.097 1.493 25762 591 1 1 . 1 1 109 109 CYS N N 109 118.313 118.313 122.906 -4.593 25762 592 1 1 . 1 1 109 109 CYS HA H 109 4.501 4.501 4.517 -0.016 25762 593 1 1 . 1 1 109 109 CYS C C 109 173.369 173.369 176.486 -3.117 25762 594 1 1 . 1 1 109 109 CYS CA C 109 55.950 55.950 59.591 -3.641 25762 595 1 1 . 1 1 109 109 CYS CB C 109 44.620 44.620 27.599 17.021 25762 596 1 1 . 1 1 109 109 CYS H H 109 8.237 8.237 8.694 -0.457 25762 597 1 1 . 1 1 110 110 GLY N N 110 108.677 108.677 110.611 -1.934 25762 598 1 1 . 1 1 110 110 GLY C C 110 173.455 173.455 173.758 -0.303 25762 599 1 1 . 1 1 110 110 GLY CA C 110 45.276 45.276 45.152 0.124 25762 600 1 1 . 1 1 110 110 GLY H H 110 8.220 8.220 7.998 0.222 25762 601 1 1 . 1 1 111 111 LYS N N 111 121.361 121.361 126.096 -4.735 25762 602 1 1 . 1 1 111 111 LYS HA H 111 4.270 4.270 4.228 0.042 25762 603 1 1 . 1 1 111 111 LYS C C 111 176.597 176.597 176.173 0.424 25762 604 1 1 . 1 1 111 111 LYS CA C 111 56.420 56.420 56.283 0.137 25762 605 1 1 . 1 1 111 111 LYS CB C 111 33.470 33.470 33.293 0.177 25762 606 1 1 . 1 1 111 111 LYS H H 111 8.239 8.239 7.776 0.463 25762 607 1 1 . 1 1 112 112 LEU N N 112 123.971 123.971 122.103 1.868 25762 608 1 1 . 1 1 112 112 LEU HA H 112 4.410 4.410 4.417 -0.007 25762 609 1 1 . 1 1 112 112 LEU C C 112 177.404 177.404 176.777 0.627 25762 610 1 1 . 1 1 112 112 LEU CA C 112 55.150 55.150 54.190 0.960 25762 611 1 1 . 1 1 112 112 LEU CB C 112 42.349 42.349 42.432 -0.083 25762 612 1 1 . 1 1 112 112 LEU H H 112 8.340 8.340 8.155 0.185 25762 613 1 1 . 1 1 113 113 THR N N 113 116.653 116.653 116.173 0.480 25762 614 1 1 . 1 1 113 113 THR HA H 113 4.310 4.310 4.294 0.016 25762 615 1 1 . 1 1 113 113 THR C C 113 174.082 174.082 174.244 -0.162 25762 616 1 1 . 1 1 113 113 THR CA C 113 61.676 61.676 63.016 -1.339 25762 617 1 1 . 1 1 113 113 THR CB C 113 69.090 69.090 68.978 0.112 25762 618 1 1 . 1 1 113 113 THR H H 113 8.150 8.150 8.189 -0.039 25762 619 1 1 . 1 1 114 114 LYS N N 114 125.770 125.770 126.832 -1.062 25762 620 1 1 . 1 1 114 114 LYS CA C 114 54.157 54.157 54.022 0.135 25762 621 1 1 . 1 1 114 114 LYS CB C 114 32.820 32.820 33.022 -0.202 25762 622 1 1 . 1 1 114 114 LYS H H 114 8.290 8.290 8.336 -0.046 25762 623 1 1 . 1 1 115 115 PRO HA H 115 4.350 4.350 4.575 -0.225 25762 624 1 1 . 1 1 115 115 PRO C C 115 176.679 176.679 176.884 -0.205 25762 625 1 1 . 1 1 115 115 PRO CA C 115 62.960 62.960 62.648 0.312 25762 626 1 1 . 1 1 115 115 PRO CB C 115 31.860 31.860 32.362 -0.502 25762 627 1 1 . 1 1 116 116 LYS N N 116 123.818 123.818 121.623 2.195 25762 628 1 1 . 1 1 116 116 LYS CA C 116 54.338 54.338 58.026 -3.688 25762 629 1 1 . 1 1 116 116 LYS CB C 116 32.913 32.913 31.436 1.477 25762 630 1 1 . 1 1 116 116 LYS H H 116 8.441 8.441 8.498 -0.057 25762 631 1 1 . 1 1 117 117 PRO HA H 117 4.403 4.403 4.617 -0.214 25762 632 1 1 . 1 1 117 117 PRO C C 117 177.038 177.038 176.161 0.877 25762 633 1 1 . 1 1 117 117 PRO CA C 117 63.360 63.360 62.720 0.640 25762 634 1 1 . 1 1 117 117 PRO CB C 117 32.060 32.060 32.322 -0.262 25762 635 1 1 . 1 1 118 118 GLN N N 118 121.596 121.596 124.551 -2.955 25762 636 1 1 . 1 1 118 118 GLN HA H 118 4.270 4.270 4.231 0.039 25762 637 1 1 . 1 1 118 118 GLN C C 118 175.963 175.963 176.327 -0.364 25762 638 1 1 . 1 1 118 118 GLN CA C 118 55.916 55.916 56.606 -0.690 25762 639 1 1 . 1 1 118 118 GLN CB C 118 29.743 29.743 29.016 0.727 25762 640 1 1 . 1 1 118 118 GLN H H 118 8.510 8.510 8.828 -0.318 25762 641 1 1 . 1 1 119 119 ALA N N 119 126.073 126.073 119.067 7.006 25762 642 1 1 . 1 1 119 119 ALA HA H 119 4.270 4.270 4.382 -0.112 25762 643 1 1 . 1 1 119 119 ALA C C 119 177.921 177.921 177.824 0.097 25762 644 1 1 . 1 1 119 119 ALA CA C 119 52.765 52.765 51.666 1.099 25762 645 1 1 . 1 1 119 119 ALA CB C 119 19.501 19.501 19.068 0.433 25762 646 1 1 . 1 1 119 119 ALA H H 119 8.389 8.389 7.672 0.717 25762 647 1 1 . 1 1 120 120 GLU N N 120 121.107 121.107 119.298 1.809 25762 648 1 1 . 1 1 120 120 GLU HA H 120 4.260 4.260 4.088 0.172 25762 649 1 1 . 1 1 120 120 GLU C C 120 176.819 176.819 176.410 0.409 25762 650 1 1 . 1 1 120 120 GLU CA C 120 56.680 56.680 57.935 -1.255 25762 651 1 1 . 1 1 120 120 GLU CB C 120 30.482 30.482 29.367 1.115 25762 652 1 1 . 1 1 120 120 GLU H H 120 8.441 8.441 8.920 -0.479 25762 653 1 1 . 1 1 121 121 SER N N 121 117.791 117.791 114.944 2.847 25762 654 1 1 . 1 1 121 121 SER HA H 121 4.410 4.410 4.217 0.193 25762 655 1 1 . 1 1 121 121 SER C C 121 174.892 174.892 173.389 1.503 25762 656 1 1 . 1 1 121 121 SER CA C 121 58.548 58.548 58.687 -0.139 25762 657 1 1 . 1 1 121 121 SER CB C 121 63.668 63.668 63.422 0.246 25762 658 1 1 . 1 1 121 121 SER H H 121 8.379 8.379 7.865 0.513 25762 659 1 1 . 1 1 122 122 LYS N N 122 123.955 123.955 123.910 0.045 25762 660 1 1 . 1 1 122 122 LYS CA C 122 56.474 56.474 55.815 0.659 25762 661 1 1 . 1 1 122 122 LYS CB C 122 33.335 33.335 32.075 1.260 25762 662 1 1 . 1 1 122 122 LYS H H 122 8.329 8.329 8.488 -0.159 25762 663 1 1 . 1 1 125 125 LYS HA H 125 4.310 4.310 4.091 0.219 25762 664 1 1 . 1 1 125 125 LYS C C 125 176.721 176.721 176.755 -0.034 25762 665 1 1 . 1 1 125 125 LYS CA C 125 56.580 56.580 58.248 -1.668 25762 666 1 1 . 1 1 125 125 LYS CB C 125 32.810 32.810 32.965 -0.155 25762 667 1 1 . 1 1 126 126 LYS N N 126 122.569 122.569 119.433 3.136 25762 668 1 1 . 1 1 126 126 LYS HA H 126 4.320 4.320 4.534 -0.214 25762 669 1 1 . 1 1 126 126 LYS C C 126 176.512 176.512 175.450 1.062 25762 670 1 1 . 1 1 126 126 LYS CA C 126 56.440 56.440 55.387 1.053 25762 671 1 1 . 1 1 126 126 LYS CB C 126 33.057 33.057 34.389 -1.332 25762 672 1 1 . 1 1 126 126 LYS H H 126 8.169 8.169 7.848 0.322 25762 673 1 1 . 1 1 127 127 GLU N N 127 123.450 123.450 121.536 1.914 25762 674 1 1 . 1 1 127 127 GLU HA H 127 4.310 4.310 4.437 -0.127 25762 675 1 1 . 1 1 127 127 GLU C C 127 176.800 176.800 176.460 0.340 25762 676 1 1 . 1 1 127 127 GLU CA C 127 56.474 56.474 56.475 -0.001 25762 677 1 1 . 1 1 127 127 GLU CB C 127 30.620 30.620 30.531 0.089 25762 678 1 1 . 1 1 127 127 GLU H H 127 8.459 8.459 8.511 -0.052 25762 679 1 1 . 1 1 128 128 GLY N N 128 110.800 110.800 109.804 0.996 25762 680 1 1 . 1 1 128 128 GLY CA C 128 45.300 45.300 44.753 0.547 25762 681 1 1 . 1 1 128 128 GLY H H 128 8.440 8.440 8.253 0.187 25762 682 1 1 . 1 1 129 129 LYS HA H 129 4.270 4.270 4.307 -0.037 25762 683 1 1 . 1 1 129 129 LYS C C 129 176.516 176.516 175.982 0.534 25762 684 1 1 . 1 1 129 129 LYS CA C 129 56.480 56.480 55.621 0.859 25762 685 1 1 . 1 1 129 129 LYS CB C 129 32.860 32.860 32.603 0.257 25762 686 1 1 . 1 1 130 130 LYS N N 130 124.071 124.071 126.970 -2.899 25762 687 1 1 . 1 1 130 130 LYS HA H 130 4.270 4.270 4.208 0.062 25762 688 1 1 . 1 1 130 130 LYS C C 130 176.545 176.545 176.579 -0.034 25762 689 1 1 . 1 1 130 130 LYS CA C 130 56.495 56.495 55.997 0.498 25762 690 1 1 . 1 1 130 130 LYS CB C 130 33.020 33.020 32.810 0.209 25762 691 1 1 . 1 1 130 130 LYS H H 130 8.409 8.409 8.349 0.060 25762 692 1 1 . 1 1 131 131 GLN N N 131 122.710 122.710 126.889 -4.179 25762 693 1 1 . 1 1 131 131 GLN HA H 131 4.440 4.440 4.058 0.382 25762 694 1 1 . 1 1 131 131 GLN C C 131 175.866 175.866 175.336 0.530 25762 695 1 1 . 1 1 131 131 GLN CA C 131 56.016 56.016 57.361 -1.345 25762 696 1 1 . 1 1 131 131 GLN CB C 131 29.663 29.663 28.691 0.972 25762 697 1 1 . 1 1 131 131 GLN H H 131 8.467 8.467 8.738 -0.271 25762 698 1 1 . 1 1 132 132 GLU N N 132 123.586 123.586 119.159 4.427 25762 699 1 1 . 1 1 132 132 GLU HA H 132 4.250 4.250 3.816 0.434 25762 700 1 1 . 1 1 132 132 GLU C C 132 176.354 176.354 176.292 0.062 25762 701 1 1 . 1 1 132 132 GLU CA C 132 56.537 56.537 57.288 -0.751 25762 702 1 1 . 1 1 132 132 GLU CB C 132 30.614 30.614 28.041 2.573 25762 703 1 1 . 1 1 132 132 GLU H H 132 8.490 8.490 8.915 -0.425 25762 704 1 1 . 1 1 133 133 LYS N N 133 123.918 123.918 116.427 7.491 25762 705 1 1 . 1 1 133 133 LYS HA H 133 4.280 4.280 3.834 0.446 25762 706 1 1 . 1 1 133 133 LYS C C 133 176.232 176.232 176.654 -0.422 25762 707 1 1 . 1 1 133 133 LYS CA C 133 56.311 56.311 58.187 -1.876 25762 708 1 1 . 1 1 133 133 LYS CB C 133 33.137 33.137 31.372 1.765 25762 709 1 1 . 1 1 133 133 LYS H H 133 8.373 8.373 8.171 0.202 25762 710 1 1 . 1 1 134 134 MET N N 134 122.994 122.994 119.520 3.474 25762 711 1 1 . 1 1 134 134 MET HA H 134 4.480 4.480 4.494 -0.014 25762 712 1 1 . 1 1 134 134 MET C C 134 175.946 175.946 175.888 0.058 25762 713 1 1 . 1 1 134 134 MET CA C 134 55.563 55.563 55.338 0.225 25762 714 1 1 . 1 1 134 134 MET CB C 134 32.010 32.010 32.740 -0.730 25762 715 1 1 . 1 1 134 134 MET H H 134 8.436 8.436 8.562 -0.126 25762 716 1 1 . 1 1 135 135 LEU N N 135 124.454 124.454 121.717 2.737 25762 717 1 1 . 1 1 135 135 LEU HA H 135 4.380 4.380 3.962 0.418 25762 718 1 1 . 1 1 135 135 LEU C C 135 176.158 176.158 174.946 1.212 25762 719 1 1 . 1 1 135 135 LEU CA C 135 55.225 55.225 55.597 -0.372 25762 720 1 1 . 1 1 135 135 LEU CB C 135 42.654 42.654 40.703 1.951 25762 721 1 1 . 1 1 135 135 LEU H H 135 8.285 8.285 7.652 0.633 25762 722 1 2 . 1 1 2 2 LYS N N 2 121.740 121.740 118.142 3.598 25762 723 1 2 . 1 1 2 2 LYS CA C 2 56.298 56.298 57.050 -0.752 25762 724 1 2 . 1 1 2 2 LYS CB C 2 33.384 33.384 32.870 0.514 25762 725 1 2 . 1 1 2 2 LYS H H 2 8.229 8.229 8.462 -0.233 25762 726 1 2 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.542 -0.142 25762 727 1 2 . 1 1 6 6 PRO C C 6 176.964 176.964 176.589 0.375 25762 728 1 2 . 1 1 6 6 PRO CA C 6 63.200 63.200 62.877 0.323 25762 729 1 2 . 1 1 6 6 PRO CB C 6 32.100 32.100 32.532 -0.432 25762 730 1 2 . 1 1 7 7 GLU N N 7 122.285 122.285 119.400 2.885 25762 731 1 2 . 1 1 7 7 GLU HA H 7 4.260 4.260 4.096 0.164 25762 732 1 2 . 1 1 7 7 GLU C C 7 176.226 176.226 175.475 0.751 25762 733 1 2 . 1 1 7 7 GLU CA C 7 56.493 56.493 57.481 -0.988 25762 734 1 2 . 1 1 7 7 GLU CB C 7 30.610 30.610 29.090 1.520 25762 735 1 2 . 1 1 7 7 GLU H H 7 8.551 8.551 8.745 -0.194 25762 736 1 2 . 1 1 8 8 LYS N N 8 122.572 122.572 123.892 -1.320 25762 737 1 2 . 1 1 8 8 LYS HA H 8 4.310 4.310 4.239 0.071 25762 738 1 2 . 1 1 8 8 LYS C C 8 176.541 176.541 175.105 1.436 25762 739 1 2 . 1 1 8 8 LYS CA C 8 56.440 56.440 56.022 0.418 25762 740 1 2 . 1 1 8 8 LYS CB C 8 33.195 33.195 33.032 0.163 25762 741 1 2 . 1 1 8 8 LYS H H 8 8.346 8.346 8.114 0.232 25762 742 1 2 . 1 1 9 9 LYS N N 9 123.843 123.843 121.181 2.662 25762 743 1 2 . 1 1 9 9 LYS HA H 9 4.330 4.330 4.107 0.223 25762 744 1 2 . 1 1 9 9 LYS C C 9 176.390 176.390 174.517 1.873 25762 745 1 2 . 1 1 9 9 LYS CA C 9 56.537 56.537 56.602 -0.065 25762 746 1 2 . 1 1 9 9 LYS CB C 9 33.160 33.160 32.849 0.311 25762 747 1 2 . 1 1 9 9 LYS H H 9 8.505 8.505 8.155 0.350 25762 748 1 2 . 1 1 10 10 VAL N N 10 123.043 123.043 121.210 1.833 25762 749 1 2 . 1 1 10 10 VAL HA H 10 4.080 4.080 4.332 -0.252 25762 750 1 2 . 1 1 10 10 VAL C C 10 175.887 175.887 174.415 1.472 25762 751 1 2 . 1 1 10 10 VAL CA C 10 62.159 62.159 61.722 0.437 25762 752 1 2 . 1 1 10 10 VAL CB C 10 33.080 33.080 33.881 -0.801 25762 753 1 2 . 1 1 10 10 VAL H H 10 8.206 8.206 8.355 -0.149 25762 754 1 2 . 1 1 11 11 LYS N N 11 126.952 126.952 125.444 1.508 25762 755 1 2 . 1 1 11 11 LYS HA H 11 4.320 4.320 4.613 -0.293 25762 756 1 2 . 1 1 11 11 LYS C C 11 176.257 176.257 175.832 0.425 25762 757 1 2 . 1 1 11 11 LYS CA C 11 56.085 56.085 56.102 -0.017 25762 758 1 2 . 1 1 11 11 LYS CB C 11 33.320 33.320 32.826 0.494 25762 759 1 2 . 1 1 11 11 LYS H H 11 8.433 8.433 8.336 0.097 25762 760 1 2 . 1 1 12 12 LYS N N 12 125.023 125.023 122.148 2.875 25762 761 1 2 . 1 1 12 12 LYS HA H 12 4.260 4.260 4.467 -0.207 25762 762 1 2 . 1 1 12 12 LYS C C 12 176.306 176.306 176.471 -0.165 25762 763 1 2 . 1 1 12 12 LYS CA C 12 56.605 56.605 56.227 0.378 25762 764 1 2 . 1 1 12 12 LYS CB C 12 33.443 33.443 32.923 0.520 25762 765 1 2 . 1 1 12 12 LYS H H 12 8.446 8.446 8.777 -0.331 25762 766 1 2 . 1 1 13 13 SER N N 13 117.836 117.836 116.259 1.577 25762 767 1 2 . 1 1 13 13 SER HA H 13 4.460 4.460 4.517 -0.057 25762 768 1 2 . 1 1 13 13 SER C C 13 174.456 174.456 173.806 0.650 25762 769 1 2 . 1 1 13 13 SER CA C 13 57.950 57.950 58.026 -0.076 25762 770 1 2 . 1 1 13 13 SER CB C 13 64.048 64.048 61.769 2.279 25762 771 1 2 . 1 1 13 13 SER H H 13 8.353 8.353 8.193 0.160 25762 772 1 2 . 1 1 14 14 ASP N N 14 124.256 124.256 120.787 3.469 25762 773 1 2 . 1 1 14 14 ASP HA H 14 4.570 4.570 4.767 -0.197 25762 774 1 2 . 1 1 14 14 ASP C C 14 175.559 175.559 175.786 -0.227 25762 775 1 2 . 1 1 14 14 ASP CA C 14 54.045 54.045 53.712 0.333 25762 776 1 2 . 1 1 14 14 ASP CB C 14 41.037 41.037 42.948 -1.911 25762 777 1 2 . 1 1 14 14 ASP H H 14 8.479 8.479 7.581 0.898 25762 778 1 2 . 1 1 15 15 CYS N N 15 117.954 117.954 117.988 -0.034 25762 779 1 2 . 1 1 15 15 CYS HA H 15 4.650 4.650 4.195 0.455 25762 780 1 2 . 1 1 15 15 CYS C C 15 175.354 175.354 174.878 0.476 25762 781 1 2 . 1 1 15 15 CYS CA C 15 55.413 55.413 59.288 -3.875 25762 782 1 2 . 1 1 15 15 CYS CB C 15 43.497 43.497 26.827 16.670 25762 783 1 2 . 1 1 15 15 CYS H H 15 7.901 7.901 8.810 -0.909 25762 784 1 2 . 1 1 16 16 GLY N N 16 112.694 112.694 107.622 5.072 25762 785 1 2 . 1 1 16 16 GLY C C 16 172.300 172.300 171.524 0.776 25762 786 1 2 . 1 1 16 16 GLY CA C 16 44.224 44.224 44.876 -0.652 25762 787 1 2 . 1 1 16 16 GLY H H 16 8.447 8.447 7.721 0.726 25762 788 1 2 . 1 1 17 17 GLU N N 17 118.500 118.500 119.384 -0.884 25762 789 1 2 . 1 1 17 17 GLU HA H 17 4.090 4.090 4.500 -0.410 25762 790 1 2 . 1 1 17 17 GLU C C 17 177.571 177.571 176.715 0.856 25762 791 1 2 . 1 1 17 17 GLU CA C 17 55.900 55.900 54.401 1.499 25762 792 1 2 . 1 1 17 17 GLU CB C 17 30.500 30.500 32.574 -2.074 25762 793 1 2 . 1 1 17 17 GLU H H 17 8.250 8.250 8.484 -0.234 25762 794 1 2 . 1 1 18 18 TRP N N 18 122.718 122.718 121.128 1.590 25762 795 1 2 . 1 1 18 18 TRP HA H 18 4.040 4.040 4.424 -0.384 25762 796 1 2 . 1 1 18 18 TRP C C 18 176.310 176.310 176.473 -0.163 25762 797 1 2 . 1 1 18 18 TRP CA C 18 58.515 58.515 57.713 0.802 25762 798 1 2 . 1 1 18 18 TRP CB C 18 30.365 30.365 29.202 1.163 25762 799 1 2 . 1 1 18 18 TRP H H 18 8.319 8.319 8.303 0.016 25762 800 1 2 . 1 1 19 19 GLN N N 19 123.305 123.305 121.337 1.968 25762 801 1 2 . 1 1 19 19 GLN HA H 19 4.530 4.530 4.373 0.157 25762 802 1 2 . 1 1 19 19 GLN C C 19 175.571 175.571 175.170 0.401 25762 803 1 2 . 1 1 19 19 GLN CA C 19 54.186 54.186 54.407 -0.221 25762 804 1 2 . 1 1 19 19 GLN CB C 19 29.897 29.897 29.920 -0.023 25762 805 1 2 . 1 1 19 19 GLN H H 19 9.140 9.140 8.903 0.237 25762 806 1 2 . 1 1 20 20 TRP N N 20 125.311 125.311 124.100 1.211 25762 807 1 2 . 1 1 20 20 TRP HA H 20 5.290 5.290 4.808 0.482 25762 808 1 2 . 1 1 20 20 TRP C C 20 177.596 177.596 176.406 1.190 25762 809 1 2 . 1 1 20 20 TRP CA C 20 56.651 56.651 56.476 0.175 25762 810 1 2 . 1 1 20 20 TRP CB C 20 32.720 32.720 30.881 1.839 25762 811 1 2 . 1 1 20 20 TRP H H 20 8.783 8.783 8.503 0.280 25762 812 1 2 . 1 1 21 21 SER N N 21 120.041 120.041 118.613 1.428 25762 813 1 2 . 1 1 21 21 SER HA H 21 4.440 4.440 5.001 -0.561 25762 814 1 2 . 1 1 21 21 SER C C 21 173.795 173.795 173.848 -0.053 25762 815 1 2 . 1 1 21 21 SER CA C 21 57.292 57.292 57.213 0.079 25762 816 1 2 . 1 1 21 21 SER CB C 21 65.435 65.435 64.183 1.252 25762 817 1 2 . 1 1 21 21 SER H H 21 9.173 9.173 8.892 0.281 25762 818 1 2 . 1 1 22 22 VAL N N 22 115.336 115.336 118.615 -3.279 25762 819 1 2 . 1 1 22 22 VAL HA H 22 4.130 4.130 4.434 -0.304 25762 820 1 2 . 1 1 22 22 VAL C C 22 175.183 175.183 175.520 -0.337 25762 821 1 2 . 1 1 22 22 VAL CA C 22 62.008 62.008 61.171 0.837 25762 822 1 2 . 1 1 22 22 VAL CB C 22 32.859 32.859 33.185 -0.326 25762 823 1 2 . 1 1 22 22 VAL H H 22 8.099 8.099 8.188 -0.089 25762 824 1 2 . 1 1 23 23 CYS N N 23 122.154 122.154 123.455 -1.301 25762 825 1 2 . 1 1 23 23 CYS HA H 23 4.330 4.330 4.627 -0.297 25762 826 1 2 . 1 1 23 23 CYS C C 23 173.335 173.335 175.612 -2.277 25762 827 1 2 . 1 1 23 23 CYS CA C 23 56.598 56.598 58.441 -1.843 25762 828 1 2 . 1 1 23 23 CYS CB C 23 42.166 42.166 25.793 16.373 25762 829 1 2 . 1 1 23 23 CYS H H 23 8.433 8.433 8.467 -0.034 25762 830 1 2 . 1 1 24 24 VAL N N 24 133.008 133.008 121.359 11.649 25762 831 1 2 . 1 1 24 24 VAL HA H 24 4.260 4.260 4.762 -0.502 25762 832 1 2 . 1 1 24 24 VAL CA C 24 59.409 59.409 58.780 0.629 25762 833 1 2 . 1 1 24 24 VAL CB C 24 33.572 33.572 33.103 0.469 25762 834 1 2 . 1 1 24 24 VAL H H 24 8.790 8.790 9.040 -0.250 25762 835 1 2 . 1 1 25 25 PRO HA H 25 4.380 4.380 4.557 -0.177 25762 836 1 2 . 1 1 25 25 PRO C C 25 176.853 176.853 176.524 0.329 25762 837 1 2 . 1 1 25 25 PRO CA C 25 62.700 62.700 62.696 0.004 25762 838 1 2 . 1 1 25 25 PRO CB C 25 31.600 31.600 32.353 -0.753 25762 839 1 2 . 1 1 26 26 THR N N 26 121.729 121.729 115.002 6.727 25762 840 1 2 . 1 1 26 26 THR HA H 26 3.970 3.970 4.383 -0.413 25762 841 1 2 . 1 1 26 26 THR C C 26 174.891 174.891 173.995 0.896 25762 842 1 2 . 1 1 26 26 THR CA C 26 65.598 65.598 63.504 2.094 25762 843 1 2 . 1 1 26 26 THR CB C 26 69.136 69.136 69.373 -0.237 25762 844 1 2 . 1 1 26 26 THR H H 26 9.199 9.199 8.464 0.735 25762 845 1 2 . 1 1 27 27 SER N N 27 115.495 115.495 115.014 0.481 25762 846 1 2 . 1 1 27 27 SER HA H 27 4.590 4.590 4.543 0.047 25762 847 1 2 . 1 1 27 27 SER C C 27 173.700 173.700 174.440 -0.740 25762 848 1 2 . 1 1 27 27 SER CA C 27 57.326 57.326 56.558 0.768 25762 849 1 2 . 1 1 27 27 SER CB C 27 64.749 64.749 64.908 -0.159 25762 850 1 2 . 1 1 27 27 SER H H 27 8.676 8.676 7.519 1.157 25762 851 1 2 . 1 1 28 28 GLY N N 28 111.492 111.492 110.996 0.496 25762 852 1 2 . 1 1 28 28 GLY C C 28 173.803 173.803 175.414 -1.611 25762 853 1 2 . 1 1 28 28 GLY CA C 28 45.965 45.965 46.111 -0.146 25762 854 1 2 . 1 1 28 28 GLY H H 28 8.482 8.482 8.878 -0.396 25762 855 1 2 . 1 1 29 29 ASP N N 29 118.893 118.893 122.574 -3.681 25762 856 1 2 . 1 1 29 29 ASP HA H 29 4.750 4.750 4.770 -0.020 25762 857 1 2 . 1 1 29 29 ASP C C 29 175.806 175.806 175.226 0.580 25762 858 1 2 . 1 1 29 29 ASP CA C 29 53.476 53.476 53.905 -0.429 25762 859 1 2 . 1 1 29 29 ASP CB C 29 42.140 42.140 39.223 2.917 25762 860 1 2 . 1 1 29 29 ASP H H 29 8.412 8.412 8.190 0.222 25762 861 1 2 . 1 1 30 30 CYS N N 30 113.937 113.937 117.832 -3.895 25762 862 1 2 . 1 1 30 30 CYS HA H 30 3.840 3.840 4.088 -0.248 25762 863 1 2 . 1 1 30 30 CYS C C 30 170.767 170.767 174.065 -3.298 25762 864 1 2 . 1 1 30 30 CYS CA C 30 56.060 56.060 59.988 -3.928 25762 865 1 2 . 1 1 30 30 CYS CB C 30 47.900 47.900 25.424 22.476 25762 866 1 2 . 1 1 30 30 CYS H H 30 7.983 7.983 8.329 -0.346 25762 867 1 2 . 1 1 31 31 GLY N N 31 110.972 110.972 109.538 1.434 25762 868 1 2 . 1 1 31 31 GLY C C 31 173.804 173.804 172.738 1.066 25762 869 1 2 . 1 1 31 31 GLY CA C 31 44.043 44.043 44.214 -0.171 25762 870 1 2 . 1 1 31 31 GLY H H 31 9.376 9.376 8.104 1.272 25762 871 1 2 . 1 1 32 32 LEU N N 32 123.077 123.077 122.030 1.047 25762 872 1 2 . 1 1 32 32 LEU HA H 32 4.440 4.440 4.301 0.139 25762 873 1 2 . 1 1 32 32 LEU C C 32 177.802 177.802 176.331 1.471 25762 874 1 2 . 1 1 32 32 LEU CA C 32 55.904 55.904 54.826 1.078 25762 875 1 2 . 1 1 32 32 LEU CB C 32 42.825 42.825 42.951 -0.126 25762 876 1 2 . 1 1 32 32 LEU H H 32 8.493 8.493 8.369 0.124 25762 877 1 2 . 1 1 33 33 GLY N N 33 110.436 110.436 113.804 -3.368 25762 878 1 2 . 1 1 33 33 GLY C C 33 174.279 174.279 173.233 1.046 25762 879 1 2 . 1 1 33 33 GLY CA C 33 45.930 45.930 44.422 1.508 25762 880 1 2 . 1 1 33 33 GLY H H 33 8.658 8.658 8.239 0.419 25762 881 1 2 . 1 1 34 34 THR N N 34 113.118 113.118 111.966 1.152 25762 882 1 2 . 1 1 34 34 THR HA H 34 5.166 5.166 5.341 -0.175 25762 883 1 2 . 1 1 34 34 THR C C 34 173.246 173.246 173.326 -0.080 25762 884 1 2 . 1 1 34 34 THR CA C 34 60.776 60.776 60.418 0.358 25762 885 1 2 . 1 1 34 34 THR CB C 34 72.892 72.892 72.356 0.536 25762 886 1 2 . 1 1 34 34 THR H H 34 8.040 8.040 8.788 -0.748 25762 887 1 2 . 1 1 35 35 ARG N N 35 120.371 120.371 119.995 0.376 25762 888 1 2 . 1 1 35 35 ARG HA H 35 4.980 4.980 4.921 0.059 25762 889 1 2 . 1 1 35 35 ARG C C 35 173.802 173.802 173.792 0.010 25762 890 1 2 . 1 1 35 35 ARG CA C 35 54.100 54.100 54.542 -0.442 25762 891 1 2 . 1 1 35 35 ARG CB C 35 33.790 33.790 34.737 -0.947 25762 892 1 2 . 1 1 35 35 ARG H H 35 9.104 9.104 9.279 -0.175 25762 893 1 2 . 1 1 36 36 GLU N N 36 122.259 122.259 122.941 -0.682 25762 894 1 2 . 1 1 36 36 GLU HA H 36 5.160 5.160 5.141 0.019 25762 895 1 2 . 1 1 36 36 GLU C C 36 175.960 175.960 175.449 0.511 25762 896 1 2 . 1 1 36 36 GLU CA C 36 55.209 55.209 54.981 0.228 25762 897 1 2 . 1 1 36 36 GLU CB C 36 32.652 32.652 32.879 -0.227 25762 898 1 2 . 1 1 36 36 GLU H H 36 8.750 8.750 8.759 -0.009 25762 899 1 2 . 1 1 37 37 GLY N N 37 116.895 116.895 113.402 3.493 25762 900 1 2 . 1 1 37 37 GLY C C 37 173.097 173.097 172.998 0.099 25762 901 1 2 . 1 1 37 37 GLY CA C 37 44.195 44.195 44.209 -0.014 25762 902 1 2 . 1 1 37 37 GLY H H 37 9.479 9.479 9.307 0.172 25762 903 1 2 . 1 1 38 38 THR N N 38 114.848 114.848 112.833 2.015 25762 904 1 2 . 1 1 38 38 THR HA H 38 5.540 5.540 5.272 0.268 25762 905 1 2 . 1 1 38 38 THR C C 38 173.004 173.004 172.951 0.053 25762 906 1 2 . 1 1 38 38 THR CA C 38 59.751 59.751 60.371 -0.620 25762 907 1 2 . 1 1 38 38 THR CB C 38 72.666 72.666 72.234 0.433 25762 908 1 2 . 1 1 38 38 THR H H 38 8.485 8.485 7.958 0.527 25762 909 1 2 . 1 1 39 39 ARG N N 39 119.072 119.072 123.424 -4.352 25762 910 1 2 . 1 1 39 39 ARG HA H 39 4.640 4.640 4.748 -0.108 25762 911 1 2 . 1 1 39 39 ARG C C 39 174.649 174.649 174.500 0.149 25762 912 1 2 . 1 1 39 39 ARG CA C 39 54.587 54.587 54.006 0.581 25762 913 1 2 . 1 1 39 39 ARG CB C 39 33.285 33.285 33.409 -0.124 25762 914 1 2 . 1 1 39 39 ARG H H 39 8.231 8.231 8.891 -0.660 25762 915 1 2 . 1 1 40 40 THR N N 40 111.009 111.009 113.398 -2.389 25762 916 1 2 . 1 1 40 40 THR HA H 40 4.440 4.440 4.688 -0.248 25762 917 1 2 . 1 1 40 40 THR C C 40 173.890 173.890 173.062 0.828 25762 918 1 2 . 1 1 40 40 THR CA C 40 60.431 60.431 60.404 0.027 25762 919 1 2 . 1 1 40 40 THR CB C 40 71.163 71.163 72.317 -1.153 25762 920 1 2 . 1 1 40 40 THR H H 40 8.097 8.097 8.006 0.091 25762 921 1 2 . 1 1 41 41 GLY N N 41 110.094 110.094 108.151 1.943 25762 922 1 2 . 1 1 41 41 GLY C C 41 174.489 174.489 172.898 1.591 25762 923 1 2 . 1 1 41 41 GLY CA C 41 45.487 45.487 44.948 0.539 25762 924 1 2 . 1 1 41 41 GLY H H 41 8.146 8.146 7.962 0.184 25762 925 1 2 . 1 1 42 42 ALA N N 42 130.030 130.030 122.514 7.516 25762 926 1 2 . 1 1 42 42 ALA HA H 42 4.150 4.150 4.185 -0.035 25762 927 1 2 . 1 1 42 42 ALA C C 42 179.063 179.063 178.418 0.645 25762 928 1 2 . 1 1 42 42 ALA CA C 42 54.737 54.737 54.422 0.315 25762 929 1 2 . 1 1 42 42 ALA CB C 42 19.258 19.258 19.271 -0.013 25762 930 1 2 . 1 1 42 42 ALA H H 42 8.844 8.844 8.517 0.327 25762 931 1 2 . 1 1 43 43 GLU N N 43 116.721 116.721 116.199 0.522 25762 932 1 2 . 1 1 43 43 GLU HA H 43 4.350 4.350 4.396 -0.046 25762 933 1 2 . 1 1 43 43 GLU C C 43 175.825 175.825 175.348 0.477 25762 934 1 2 . 1 1 43 43 GLU CA C 43 54.964 54.964 55.564 -0.600 25762 935 1 2 . 1 1 43 43 GLU CB C 43 29.372 29.372 30.674 -1.302 25762 936 1 2 . 1 1 43 43 GLU H H 43 9.070 9.070 8.557 0.513 25762 937 1 2 . 1 1 44 44 CYS N N 44 120.031 120.031 121.389 -1.358 25762 938 1 2 . 1 1 44 44 CYS C C 44 174.887 174.887 174.449 0.438 25762 939 1 2 . 1 1 44 44 CYS CA C 44 55.287 55.287 58.451 -3.164 25762 940 1 2 . 1 1 44 44 CYS CB C 44 41.215 41.215 27.457 13.758 25762 941 1 2 . 1 1 44 44 CYS H H 44 7.427 7.427 7.679 -0.252 25762 942 1 2 . 1 1 45 45 LYS N N 45 127.192 127.192 122.524 4.668 25762 943 1 2 . 1 1 45 45 LYS HA H 45 4.220 4.220 4.301 -0.081 25762 944 1 2 . 1 1 45 45 LYS C C 45 176.464 176.464 175.558 0.906 25762 945 1 2 . 1 1 45 45 LYS CA C 45 57.793 57.793 55.776 2.017 25762 946 1 2 . 1 1 45 45 LYS CB C 45 32.251 32.251 34.376 -2.125 25762 947 1 2 . 1 1 45 45 LYS H H 45 8.655 8.655 7.963 0.692 25762 948 1 2 . 1 1 46 46 GLN N N 46 119.454 119.454 117.444 2.010 25762 949 1 2 . 1 1 46 46 GLN HA H 46 4.690 4.690 4.054 0.636 25762 950 1 2 . 1 1 46 46 GLN C C 46 175.524 175.524 175.158 0.366 25762 951 1 2 . 1 1 46 46 GLN CA C 46 55.759 55.759 56.868 -1.109 25762 952 1 2 . 1 1 46 46 GLN CB C 46 29.672 29.672 27.516 2.156 25762 953 1 2 . 1 1 46 46 GLN H H 46 7.831 7.831 8.881 -1.050 25762 954 1 2 . 1 1 47 47 THR N N 47 116.122 116.122 111.252 4.870 25762 955 1 2 . 1 1 47 47 THR HA H 47 4.701 4.701 4.296 0.405 25762 956 1 2 . 1 1 47 47 THR C C 47 173.458 173.458 173.252 0.206 25762 957 1 2 . 1 1 47 47 THR CA C 47 61.693 61.693 62.258 -0.565 25762 958 1 2 . 1 1 47 47 THR CB C 47 69.773 69.773 67.359 2.414 25762 959 1 2 . 1 1 47 47 THR H H 47 8.633 8.633 8.171 0.462 25762 960 1 2 . 1 1 48 48 MET N N 48 121.378 121.378 124.272 -2.894 25762 961 1 2 . 1 1 48 48 MET HA H 48 5.610 5.610 5.408 0.202 25762 962 1 2 . 1 1 48 48 MET C C 48 174.850 174.850 175.041 -0.191 25762 963 1 2 . 1 1 48 48 MET CA C 48 55.321 55.321 54.423 0.898 25762 964 1 2 . 1 1 48 48 MET CB C 48 36.529 36.529 37.773 -1.244 25762 965 1 2 . 1 1 48 48 MET H H 48 7.838 7.838 8.273 -0.435 25762 966 1 2 . 1 1 49 49 LYS N N 49 123.748 123.748 121.933 1.815 25762 967 1 2 . 1 1 49 49 LYS HA H 49 4.560 4.560 4.843 -0.283 25762 968 1 2 . 1 1 49 49 LYS C C 49 173.773 173.773 174.381 -0.608 25762 969 1 2 . 1 1 49 49 LYS CA C 49 55.899 55.899 55.457 0.442 25762 970 1 2 . 1 1 49 49 LYS CB C 49 36.032 36.032 36.414 -0.382 25762 971 1 2 . 1 1 49 49 LYS H H 49 8.539 8.539 9.025 -0.486 25762 972 1 2 . 1 1 50 50 THR N N 50 117.276 117.276 121.015 -3.739 25762 973 1 2 . 1 1 50 50 THR HA H 50 5.330 5.330 5.143 0.187 25762 974 1 2 . 1 1 50 50 THR C C 50 174.047 174.047 174.061 -0.014 25762 975 1 2 . 1 1 50 50 THR CA C 50 61.169 61.169 61.318 -0.149 25762 976 1 2 . 1 1 50 50 THR CB C 50 71.019 71.019 70.426 0.593 25762 977 1 2 . 1 1 50 50 THR H H 50 8.416 8.416 8.344 0.072 25762 978 1 2 . 1 1 51 51 GLN N N 51 123.996 123.996 124.530 -0.534 25762 979 1 2 . 1 1 51 51 GLN HA H 51 4.680 4.680 4.783 -0.103 25762 980 1 2 . 1 1 51 51 GLN C C 51 174.453 174.453 174.279 0.174 25762 981 1 2 . 1 1 51 51 GLN CA C 51 54.079 54.079 54.275 -0.196 25762 982 1 2 . 1 1 51 51 GLN CB C 51 34.352 34.352 33.690 0.662 25762 983 1 2 . 1 1 51 51 GLN H H 51 9.034 9.034 9.283 -0.249 25762 984 1 2 . 1 1 52 52 ARG N N 52 124.759 124.759 121.352 3.407 25762 985 1 2 . 1 1 52 52 ARG HA H 52 4.600 4.600 4.751 -0.151 25762 986 1 2 . 1 1 52 52 ARG C C 52 174.978 174.978 175.481 -0.503 25762 987 1 2 . 1 1 52 52 ARG CA C 52 56.600 56.600 55.421 1.179 25762 988 1 2 . 1 1 52 52 ARG CB C 52 30.812 30.812 30.616 0.196 25762 989 1 2 . 1 1 52 52 ARG H H 52 8.520 8.520 8.536 -0.015 25762 990 1 2 . 1 1 53 53 CYS N N 53 120.158 120.158 123.743 -3.585 25762 991 1 2 . 1 1 53 53 CYS HA H 53 4.130 4.130 4.474 -0.344 25762 992 1 2 . 1 1 53 53 CYS C C 53 170.755 170.755 173.896 -3.141 25762 993 1 2 . 1 1 53 53 CYS CA C 53 54.574 54.574 57.936 -3.362 25762 994 1 2 . 1 1 53 53 CYS CB C 53 47.178 47.178 28.756 18.422 25762 995 1 2 . 1 1 53 53 CYS H H 53 8.167 8.167 8.775 -0.608 25762 996 1 2 . 1 1 54 54 LYS N N 54 120.283 120.283 120.911 -0.628 25762 997 1 2 . 1 1 54 54 LYS HA H 54 4.840 4.840 4.531 0.309 25762 998 1 2 . 1 1 54 54 LYS C C 54 175.166 175.166 174.771 0.395 25762 999 1 2 . 1 1 54 54 LYS CA C 54 55.611 55.611 55.701 -0.090 25762 1000 1 2 . 1 1 54 54 LYS CB C 54 36.066 36.066 33.320 2.746 25762 1001 1 2 . 1 1 54 54 LYS H H 54 8.489 8.489 8.245 0.244 25762 1002 1 2 . 1 1 55 55 ILE N N 55 126.794 126.794 122.571 4.223 25762 1003 1 2 . 1 1 55 55 ILE HA H 55 4.600 4.600 4.569 0.031 25762 1004 1 2 . 1 1 55 55 ILE CA C 55 57.299 57.299 58.072 -0.773 25762 1005 1 2 . 1 1 55 55 ILE CB C 55 41.759 41.759 40.876 0.883 25762 1006 1 2 . 1 1 55 55 ILE H H 55 8.673 8.673 8.408 0.265 25762 1007 1 2 . 1 1 56 56 PRO HA H 56 4.360 4.360 4.483 -0.123 25762 1008 1 2 . 1 1 56 56 PRO C C 56 176.748 176.748 176.078 0.670 25762 1009 1 2 . 1 1 56 56 PRO CA C 56 63.790 63.790 62.559 1.231 25762 1010 1 2 . 1 1 56 56 PRO CB C 56 32.200 32.200 30.758 1.442 25762 1011 1 2 . 1 1 57 57 CYS N N 57 121.411 121.411 127.706 -6.295 25762 1012 1 2 . 1 1 57 57 CYS HA H 57 4.160 4.160 4.530 -0.370 25762 1013 1 2 . 1 1 57 57 CYS C C 57 174.867 174.867 174.375 0.492 25762 1014 1 2 . 1 1 57 57 CYS CA C 57 54.490 54.490 57.639 -3.149 25762 1015 1 2 . 1 1 57 57 CYS CB C 57 43.090 43.090 25.647 17.443 25762 1016 1 2 . 1 1 57 57 CYS H H 57 8.782 8.782 8.534 0.248 25762 1017 1 2 . 1 1 58 58 ASN N N 58 120.918 120.918 124.410 -3.492 25762 1018 1 2 . 1 1 58 58 ASN HA H 58 4.620 4.620 4.651 -0.031 25762 1019 1 2 . 1 1 58 58 ASN C C 58 175.129 175.129 175.325 -0.196 25762 1020 1 2 . 1 1 58 58 ASN CA C 58 53.832 53.832 53.647 0.185 25762 1021 1 2 . 1 1 58 58 ASN CB C 58 38.634 38.634 39.666 -1.032 25762 1022 1 2 . 1 1 58 58 ASN H H 58 8.551 8.551 8.105 0.446 25762 1023 1 2 . 1 1 59 59 TRP N N 59 121.791 121.791 118.975 2.816 25762 1024 1 2 . 1 1 59 59 TRP HA H 59 4.604 4.604 4.419 0.185 25762 1025 1 2 . 1 1 59 59 TRP C C 59 176.374 176.374 176.267 0.107 25762 1026 1 2 . 1 1 59 59 TRP CA C 59 57.605 57.605 57.799 -0.194 25762 1027 1 2 . 1 1 59 59 TRP CB C 59 29.487 29.487 27.054 2.433 25762 1028 1 2 . 1 1 59 59 TRP H H 59 8.010 8.010 8.306 -0.296 25762 1029 1 2 . 1 1 60 60 LYS N N 60 122.289 122.289 118.557 3.732 25762 1030 1 2 . 1 1 60 60 LYS HA H 60 4.070 4.070 4.152 -0.082 25762 1031 1 2 . 1 1 60 60 LYS C C 60 176.685 176.685 176.371 0.314 25762 1032 1 2 . 1 1 60 60 LYS CA C 60 56.926 56.926 56.811 0.115 25762 1033 1 2 . 1 1 60 60 LYS CB C 60 32.877 32.877 32.895 -0.018 25762 1034 1 2 . 1 1 60 60 LYS H H 60 7.751 7.751 8.081 -0.330 25762 1035 1 2 . 1 1 61 61 LYS N N 61 121.691 121.691 119.392 2.299 25762 1036 1 2 . 1 1 61 61 LYS HA H 61 4.160 4.160 4.156 0.004 25762 1037 1 2 . 1 1 61 61 LYS C C 61 176.731 176.731 176.235 0.496 25762 1038 1 2 . 1 1 61 61 LYS CA C 61 56.804 56.804 57.497 -0.693 25762 1039 1 2 . 1 1 61 61 LYS CB C 61 32.910 32.910 30.641 2.269 25762 1040 1 2 . 1 1 61 61 LYS H H 61 7.963 7.963 8.147 -0.184 25762 1041 1 2 . 1 1 62 62 GLN N N 62 120.611 120.611 121.375 -0.764 25762 1042 1 2 . 1 1 62 62 GLN HA H 62 4.240 4.240 4.480 -0.240 25762 1043 1 2 . 1 1 62 62 GLN C C 62 175.696 175.696 175.036 0.660 25762 1044 1 2 . 1 1 62 62 GLN CA C 62 56.416 56.416 55.329 1.087 25762 1045 1 2 . 1 1 62 62 GLN CB C 62 29.722 29.722 29.570 0.152 25762 1046 1 2 . 1 1 62 62 GLN H H 62 8.177 8.177 8.488 -0.311 25762 1047 1 2 . 1 1 63 63 PHE N N 63 119.964 119.964 119.595 0.369 25762 1048 1 2 . 1 1 63 63 PHE HA H 63 4.750 4.750 4.190 0.560 25762 1049 1 2 . 1 1 63 63 PHE C C 63 175.958 175.958 174.986 0.972 25762 1050 1 2 . 1 1 63 63 PHE CA C 63 57.339 57.339 58.342 -1.003 25762 1051 1 2 . 1 1 63 63 PHE CB C 63 39.813 39.813 38.688 1.125 25762 1052 1 2 . 1 1 63 63 PHE H H 63 7.990 7.990 8.015 -0.025 25762 1053 1 2 . 1 1 64 64 GLY N N 64 110.674 110.674 111.267 -0.593 25762 1054 1 2 . 1 1 64 64 GLY C C 64 174.297 174.297 172.254 2.043 25762 1055 1 2 . 1 1 64 64 GLY CA C 64 45.306 45.306 44.636 0.670 25762 1056 1 2 . 1 1 64 64 GLY H H 64 8.427 8.427 7.802 0.625 25762 1057 1 2 . 1 1 65 65 ALA N N 65 124.213 124.213 121.610 2.603 25762 1058 1 2 . 1 1 65 65 ALA HA H 65 4.260 4.260 4.632 -0.372 25762 1059 1 2 . 1 1 65 65 ALA C C 65 178.028 178.028 176.937 1.091 25762 1060 1 2 . 1 1 65 65 ALA CA C 65 53.400 53.400 53.243 0.157 25762 1061 1 2 . 1 1 65 65 ALA CB C 65 19.372 19.372 20.281 -0.909 25762 1062 1 2 . 1 1 65 65 ALA H H 65 8.316 8.316 8.404 -0.088 25762 1063 1 2 . 1 1 66 66 GLU N N 66 117.489 117.489 117.991 -0.502 25762 1064 1 2 . 1 1 66 66 GLU HA H 66 4.240 4.240 4.556 -0.316 25762 1065 1 2 . 1 1 66 66 GLU C C 66 175.127 175.127 176.762 -1.635 25762 1066 1 2 . 1 1 66 66 GLU CA C 66 57.205 57.205 55.920 1.285 25762 1067 1 2 . 1 1 66 66 GLU CB C 66 29.924 29.924 30.462 -0.538 25762 1068 1 2 . 1 1 66 66 GLU H H 66 8.697 8.697 8.640 0.057 25762 1069 1 2 . 1 1 67 67 CYS N N 67 119.305 119.305 118.323 0.982 25762 1070 1 2 . 1 1 67 67 CYS HA H 67 4.310 4.310 4.667 -0.357 25762 1071 1 2 . 1 1 67 67 CYS C C 67 172.436 172.436 174.564 -2.128 25762 1072 1 2 . 1 1 67 67 CYS CA C 67 53.300 53.300 58.285 -4.985 25762 1073 1 2 . 1 1 67 67 CYS CB C 67 41.122 41.122 28.341 12.781 25762 1074 1 2 . 1 1 67 67 CYS H H 67 7.758 7.758 8.140 -0.382 25762 1075 1 2 . 1 1 68 68 LYS N N 68 123.248 123.248 120.279 2.969 25762 1076 1 2 . 1 1 68 68 LYS HA H 68 4.680 4.680 4.626 0.054 25762 1077 1 2 . 1 1 68 68 LYS C C 68 174.804 174.804 174.776 0.028 25762 1078 1 2 . 1 1 68 68 LYS CA C 68 54.009 54.009 55.327 -1.318 25762 1079 1 2 . 1 1 68 68 LYS CB C 68 33.651 33.651 34.864 -1.213 25762 1080 1 2 . 1 1 68 68 LYS H H 68 8.174 8.174 8.302 -0.128 25762 1081 1 2 . 1 1 69 69 TYR N N 69 122.635 122.635 121.414 1.221 25762 1082 1 2 . 1 1 69 69 TYR HA H 69 4.410 4.410 4.915 -0.505 25762 1083 1 2 . 1 1 69 69 TYR C C 69 174.602 174.602 175.773 -1.171 25762 1084 1 2 . 1 1 69 69 TYR CA C 69 58.204 58.204 57.032 1.172 25762 1085 1 2 . 1 1 69 69 TYR CB C 69 42.100 42.100 40.004 2.096 25762 1086 1 2 . 1 1 69 69 TYR H H 69 8.769 8.769 8.554 0.215 25762 1087 1 2 . 1 1 70 70 GLN N N 70 120.984 120.984 125.788 -4.804 25762 1088 1 2 . 1 1 70 70 GLN HA H 70 4.590 4.590 4.820 -0.230 25762 1089 1 2 . 1 1 70 70 GLN C C 70 175.634 175.634 174.424 1.210 25762 1090 1 2 . 1 1 70 70 GLN CA C 70 54.108 54.108 54.266 -0.158 25762 1091 1 2 . 1 1 70 70 GLN CB C 70 29.900 29.900 30.790 -0.890 25762 1092 1 2 . 1 1 70 70 GLN H H 70 8.573 8.573 8.575 -0.002 25762 1093 1 2 . 1 1 71 71 PHE N N 71 127.389 127.389 122.978 4.411 25762 1094 1 2 . 1 1 71 71 PHE HA H 71 4.970 4.970 5.392 -0.422 25762 1095 1 2 . 1 1 71 71 PHE C C 71 177.149 177.149 175.061 2.088 25762 1096 1 2 . 1 1 71 71 PHE CA C 71 58.976 58.976 55.274 3.702 25762 1097 1 2 . 1 1 71 71 PHE CB C 71 40.837 40.837 40.594 0.243 25762 1098 1 2 . 1 1 71 71 PHE H H 71 9.255 9.255 8.533 0.722 25762 1099 1 2 . 1 1 72 72 GLN N N 72 121.514 121.514 121.987 -0.473 25762 1100 1 2 . 1 1 72 72 GLN HA H 72 4.440 4.440 4.513 -0.073 25762 1101 1 2 . 1 1 72 72 GLN C C 72 176.721 176.721 175.374 1.347 25762 1102 1 2 . 1 1 72 72 GLN CA C 72 54.707 54.707 55.066 -0.359 25762 1103 1 2 . 1 1 72 72 GLN CB C 72 29.983 29.983 30.556 -0.573 25762 1104 1 2 . 1 1 72 72 GLN H H 72 8.273 8.273 8.970 -0.697 25762 1105 1 2 . 1 1 73 73 ALA N N 73 122.414 122.414 124.412 -1.998 25762 1106 1 2 . 1 1 73 73 ALA HA H 73 4.220 4.220 4.268 -0.048 25762 1107 1 2 . 1 1 73 73 ALA C C 73 178.776 178.776 176.247 2.529 25762 1108 1 2 . 1 1 73 73 ALA CA C 73 52.751 52.751 52.403 0.348 25762 1109 1 2 . 1 1 73 73 ALA CB C 73 19.559 19.559 18.520 1.039 25762 1110 1 2 . 1 1 73 73 ALA H H 73 8.293 8.293 8.779 -0.486 25762 1111 1 2 . 1 1 74 74 TRP N N 74 120.412 120.412 124.818 -4.406 25762 1112 1 2 . 1 1 74 74 TRP HA H 74 4.260 4.260 4.879 -0.619 25762 1113 1 2 . 1 1 74 74 TRP C C 74 178.290 178.290 175.971 2.319 25762 1114 1 2 . 1 1 74 74 TRP CA C 74 58.982 58.982 57.776 1.206 25762 1115 1 2 . 1 1 74 74 TRP CB C 74 30.633 30.633 30.366 0.267 25762 1116 1 2 . 1 1 74 74 TRP H H 74 8.136 8.136 8.799 -0.663 25762 1117 1 2 . 1 1 75 75 GLY N N 75 109.881 109.881 108.720 1.161 25762 1118 1 2 . 1 1 75 75 GLY C C 75 177.700 177.700 173.082 4.618 25762 1119 1 2 . 1 1 75 75 GLY CA C 75 44.287 44.287 44.589 -0.302 25762 1120 1 2 . 1 1 75 75 GLY H H 75 8.763 8.763 7.853 0.910 25762 1121 1 2 . 1 1 76 76 GLU N N 76 116.900 116.900 122.599 -5.699 25762 1122 1 2 . 1 1 76 76 GLU HA H 76 4.230 4.230 4.432 -0.202 25762 1123 1 2 . 1 1 76 76 GLU C C 76 177.770 177.770 175.842 1.928 25762 1124 1 2 . 1 1 76 76 GLU CA C 76 55.700 55.700 54.857 0.843 25762 1125 1 2 . 1 1 76 76 GLU CB C 76 30.600 30.600 31.402 -0.802 25762 1126 1 2 . 1 1 76 76 GLU H H 76 8.400 8.400 8.359 0.041 25762 1127 1 2 . 1 1 77 77 CYS N N 77 121.846 121.846 122.083 -0.237 25762 1128 1 2 . 1 1 77 77 CYS HA H 77 4.150 4.150 4.331 -0.181 25762 1129 1 2 . 1 1 77 77 CYS C C 77 174.117 174.117 174.107 0.010 25762 1130 1 2 . 1 1 77 77 CYS CA C 77 56.706 56.706 59.030 -2.324 25762 1131 1 2 . 1 1 77 77 CYS CB C 77 41.056 41.056 27.214 13.842 25762 1132 1 2 . 1 1 77 77 CYS H H 77 8.980 8.980 8.871 0.109 25762 1133 1 2 . 1 1 78 78 ASP N N 78 131.728 131.728 128.064 3.664 25762 1134 1 2 . 1 1 78 78 ASP HA H 78 3.370 3.370 4.920 -1.550 25762 1135 1 2 . 1 1 78 78 ASP C C 78 176.890 176.890 177.262 -0.372 25762 1136 1 2 . 1 1 78 78 ASP CA C 78 53.492 53.492 54.590 -1.098 25762 1137 1 2 . 1 1 78 78 ASP CB C 78 41.819 41.819 41.206 0.613 25762 1138 1 2 . 1 1 78 78 ASP H H 78 8.279 8.279 8.836 -0.557 25762 1139 1 2 . 1 1 79 79 LEU N N 79 127.191 127.191 124.430 2.761 25762 1140 1 2 . 1 1 79 79 LEU HA H 79 3.990 3.990 4.208 -0.218 25762 1141 1 2 . 1 1 79 79 LEU C C 79 178.627 178.627 178.024 0.603 25762 1142 1 2 . 1 1 79 79 LEU CA C 79 57.179 57.179 57.582 -0.403 25762 1143 1 2 . 1 1 79 79 LEU CB C 79 41.642 41.642 41.771 -0.129 25762 1144 1 2 . 1 1 79 79 LEU H H 79 8.763 8.763 8.421 0.342 25762 1145 1 2 . 1 1 80 80 ASN N N 80 116.238 116.238 118.528 -2.290 25762 1146 1 2 . 1 1 80 80 ASN HA H 80 4.590 4.590 4.625 -0.035 25762 1147 1 2 . 1 1 80 80 ASN C C 80 176.905 176.905 176.298 0.607 25762 1148 1 2 . 1 1 80 80 ASN CA C 80 55.800 55.800 54.787 1.013 25762 1149 1 2 . 1 1 80 80 ASN CB C 80 39.151 39.151 38.597 0.554 25762 1150 1 2 . 1 1 80 80 ASN H H 80 8.746 8.746 8.471 0.275 25762 1151 1 2 . 1 1 81 81 THR N N 81 108.459 108.459 111.388 -2.929 25762 1152 1 2 . 1 1 81 81 THR HA H 81 4.240 4.240 4.398 -0.158 25762 1153 1 2 . 1 1 81 81 THR C C 81 174.727 174.727 175.312 -0.585 25762 1154 1 2 . 1 1 81 81 THR CA C 81 61.540 61.540 61.728 -0.188 25762 1155 1 2 . 1 1 81 81 THR CB C 81 70.900 70.900 70.351 0.549 25762 1156 1 2 . 1 1 81 81 THR H H 81 7.666 7.666 7.507 0.159 25762 1157 1 2 . 1 1 82 82 ALA N N 82 122.870 122.870 123.283 -0.413 25762 1158 1 2 . 1 1 82 82 ALA HA H 82 3.820 3.820 3.995 -0.175 25762 1159 1 2 . 1 1 82 82 ALA C C 82 176.506 176.506 175.433 1.073 25762 1160 1 2 . 1 1 82 82 ALA CA C 82 53.603 53.603 53.582 0.021 25762 1161 1 2 . 1 1 82 82 ALA CB C 82 17.013 17.013 17.389 -0.376 25762 1162 1 2 . 1 1 82 82 ALA H H 82 8.687 8.687 8.198 0.489 25762 1163 1 2 . 1 1 83 83 LEU N N 83 117.374 117.374 116.612 0.762 25762 1164 1 2 . 1 1 83 83 LEU HA H 83 5.031 5.031 4.784 0.247 25762 1165 1 2 . 1 1 83 83 LEU C C 83 177.616 177.616 175.582 2.034 25762 1166 1 2 . 1 1 83 83 LEU CA C 83 54.098 54.098 53.311 0.787 25762 1167 1 2 . 1 1 83 83 LEU CB C 83 46.622 46.622 45.685 0.937 25762 1168 1 2 . 1 1 83 83 LEU H H 83 7.353 7.353 7.373 -0.020 25762 1169 1 2 . 1 1 84 84 LYS N N 84 122.053 122.053 120.173 1.880 25762 1170 1 2 . 1 1 84 84 LYS HA H 84 4.940 4.940 4.875 0.065 25762 1171 1 2 . 1 1 84 84 LYS C C 84 175.449 175.449 175.231 0.218 25762 1172 1 2 . 1 1 84 84 LYS CA C 84 54.287 54.287 54.848 -0.561 25762 1173 1 2 . 1 1 84 84 LYS CB C 84 36.060 36.060 35.084 0.976 25762 1174 1 2 . 1 1 84 84 LYS H H 84 9.043 9.043 9.114 -0.071 25762 1175 1 2 . 1 1 85 85 THR N N 85 114.896 114.896 119.209 -4.313 25762 1176 1 2 . 1 1 85 85 THR HA H 85 5.820 5.820 5.141 0.679 25762 1177 1 2 . 1 1 85 85 THR C C 85 174.123 174.123 173.796 0.327 25762 1178 1 2 . 1 1 85 85 THR CA C 85 61.226 61.226 61.289 -0.063 25762 1179 1 2 . 1 1 85 85 THR CB C 85 72.857 72.857 71.744 1.113 25762 1180 1 2 . 1 1 85 85 THR H H 85 9.011 9.011 8.603 0.408 25762 1181 1 2 . 1 1 86 86 ARG N N 86 123.804 123.804 123.968 -0.164 25762 1182 1 2 . 1 1 86 86 ARG C C 86 173.792 173.792 174.247 -0.455 25762 1183 1 2 . 1 1 86 86 ARG CA C 86 56.720 56.720 55.059 1.661 25762 1184 1 2 . 1 1 86 86 ARG CB C 86 33.185 33.185 34.665 -1.480 25762 1185 1 2 . 1 1 86 86 ARG H H 86 9.056 9.056 9.038 0.018 25762 1186 1 2 . 1 1 87 87 THR N N 87 117.796 117.796 118.222 -0.426 25762 1187 1 2 . 1 1 87 87 THR HA H 87 5.270 5.270 5.293 -0.023 25762 1188 1 2 . 1 1 87 87 THR C C 87 173.939 173.939 173.481 0.458 25762 1189 1 2 . 1 1 87 87 THR CA C 87 61.003 61.003 61.112 -0.109 25762 1190 1 2 . 1 1 87 87 THR CB C 87 71.091 71.091 71.668 -0.577 25762 1191 1 2 . 1 1 87 87 THR H H 87 8.387 8.387 8.299 0.088 25762 1192 1 2 . 1 1 88 88 GLY N N 88 112.501 112.501 110.536 1.965 25762 1193 1 2 . 1 1 88 88 GLY C C 88 171.645 171.645 171.927 -0.282 25762 1194 1 2 . 1 1 88 88 GLY CA C 88 44.657 44.657 44.222 0.435 25762 1195 1 2 . 1 1 88 88 GLY H H 88 9.074 9.074 9.280 -0.206 25762 1196 1 2 . 1 1 89 89 SER N N 89 115.802 115.802 115.734 0.068 25762 1197 1 2 . 1 1 89 89 SER HA H 89 5.260 5.260 5.171 0.089 25762 1198 1 2 . 1 1 89 89 SER C C 89 174.767 174.767 173.253 1.514 25762 1199 1 2 . 1 1 89 89 SER CA C 89 56.512 56.512 57.075 -0.563 25762 1200 1 2 . 1 1 89 89 SER CB C 89 65.434 65.434 66.931 -1.497 25762 1201 1 2 . 1 1 89 89 SER H H 89 8.217 8.217 8.645 -0.428 25762 1202 1 2 . 1 1 90 90 LEU N N 90 128.595 128.595 124.589 4.006 25762 1203 1 2 . 1 1 90 90 LEU HA H 90 3.420 3.420 4.628 -1.208 25762 1204 1 2 . 1 1 90 90 LEU C C 90 176.399 176.399 176.875 -0.476 25762 1205 1 2 . 1 1 90 90 LEU CA C 90 56.558 56.558 54.916 1.642 25762 1206 1 2 . 1 1 90 90 LEU CB C 90 43.006 43.006 41.998 1.008 25762 1207 1 2 . 1 1 90 90 LEU H H 90 8.555 8.555 8.962 -0.407 25762 1208 1 2 . 1 1 91 91 LYS N N 91 128.646 128.646 126.079 2.567 25762 1209 1 2 . 1 1 91 91 LYS HA H 91 4.330 4.330 4.443 -0.113 25762 1210 1 2 . 1 1 91 91 LYS C C 91 176.318 176.318 176.487 -0.169 25762 1211 1 2 . 1 1 91 91 LYS CA C 91 56.103 56.103 56.942 -0.839 25762 1212 1 2 . 1 1 91 91 LYS CB C 91 33.565 33.565 33.800 -0.235 25762 1213 1 2 . 1 1 91 91 LYS H H 91 9.065 9.065 8.600 0.465 25762 1214 1 2 . 1 1 92 92 ARG N N 92 118.834 118.834 118.940 -0.106 25762 1215 1 2 . 1 1 92 92 ARG HA H 92 4.220 4.220 4.440 -0.220 25762 1216 1 2 . 1 1 92 92 ARG C C 92 173.259 173.259 173.639 -0.380 25762 1217 1 2 . 1 1 92 92 ARG CA C 92 56.259 56.259 56.270 -0.011 25762 1218 1 2 . 1 1 92 92 ARG CB C 92 32.623 32.623 33.493 -0.870 25762 1219 1 2 . 1 1 92 92 ARG H H 92 7.641 7.641 7.818 -0.177 25762 1220 1 2 . 1 1 93 93 ALA N N 93 127.574 127.574 127.462 0.112 25762 1221 1 2 . 1 1 93 93 ALA HA H 93 4.870 4.870 4.776 0.094 25762 1222 1 2 . 1 1 93 93 ALA C C 93 177.037 177.037 175.934 1.103 25762 1223 1 2 . 1 1 93 93 ALA CA C 93 50.949 50.949 50.606 0.343 25762 1224 1 2 . 1 1 93 93 ALA CB C 93 21.664 21.664 20.837 0.827 25762 1225 1 2 . 1 1 93 93 ALA H H 93 8.451 8.451 8.416 0.035 25762 1226 1 2 . 1 1 94 94 LEU N N 94 123.296 123.296 121.362 1.934 25762 1227 1 2 . 1 1 94 94 LEU HA H 94 4.250 4.250 4.408 -0.158 25762 1228 1 2 . 1 1 94 94 LEU C C 94 177.256 177.256 178.615 -1.359 25762 1229 1 2 . 1 1 94 94 LEU CA C 94 55.137 55.137 53.737 1.400 25762 1230 1 2 . 1 1 94 94 LEU CB C 94 42.697 42.697 42.983 -0.286 25762 1231 1 2 . 1 1 94 94 LEU H H 94 8.654 8.654 8.455 0.199 25762 1232 1 2 . 1 1 95 95 HIS N N 95 116.413 116.413 119.613 -3.200 25762 1233 1 2 . 1 1 95 95 HIS HA H 95 4.430 4.430 4.431 -0.001 25762 1234 1 2 . 1 1 95 95 HIS C C 95 174.801 174.801 175.595 -0.794 25762 1235 1 2 . 1 1 95 95 HIS CA C 95 56.400 56.400 58.816 -2.416 25762 1236 1 2 . 1 1 95 95 HIS CB C 95 28.218 28.218 30.151 -1.933 25762 1237 1 2 . 1 1 95 95 HIS H H 95 8.642 8.642 8.463 0.179 25762 1238 1 2 . 1 1 96 96 ASN N N 96 115.824 115.824 117.614 -1.790 25762 1239 1 2 . 1 1 96 96 ASN HA H 96 4.450 4.450 4.783 -0.333 25762 1240 1 2 . 1 1 96 96 ASN C C 96 175.026 175.026 173.796 1.230 25762 1241 1 2 . 1 1 96 96 ASN CA C 96 53.692 53.692 52.614 1.078 25762 1242 1 2 . 1 1 96 96 ASN CB C 96 38.056 38.056 38.285 -0.229 25762 1243 1 2 . 1 1 96 96 ASN H H 96 8.461 8.461 8.242 0.219 25762 1244 1 2 . 1 1 97 97 ALA N N 97 122.558 122.558 122.810 -0.252 25762 1245 1 2 . 1 1 97 97 ALA HA H 97 4.130 4.130 4.565 -0.435 25762 1246 1 2 . 1 1 97 97 ALA C C 97 177.337 177.337 175.621 1.716 25762 1247 1 2 . 1 1 97 97 ALA CA C 97 53.430 53.430 51.822 1.608 25762 1248 1 2 . 1 1 97 97 ALA CB C 97 20.204 20.204 20.948 -0.744 25762 1249 1 2 . 1 1 97 97 ALA H H 97 7.791 7.791 7.277 0.514 25762 1250 1 2 . 1 1 98 98 GLU N N 98 120.504 120.504 123.266 -2.762 25762 1251 1 2 . 1 1 98 98 GLU HA H 98 4.320 4.320 4.583 -0.263 25762 1252 1 2 . 1 1 98 98 GLU C C 98 176.154 176.154 175.254 0.900 25762 1253 1 2 . 1 1 98 98 GLU CA C 98 56.630 56.630 55.890 0.740 25762 1254 1 2 . 1 1 98 98 GLU CB C 98 29.496 29.496 30.382 -0.886 25762 1255 1 2 . 1 1 98 98 GLU H H 98 8.478 8.478 8.454 0.024 25762 1256 1 2 . 1 1 99 99 CYS N N 99 122.399 122.399 121.813 0.586 25762 1257 1 2 . 1 1 99 99 CYS HA H 99 4.820 4.820 4.777 0.043 25762 1258 1 2 . 1 1 99 99 CYS C C 99 174.711 174.711 174.404 0.307 25762 1259 1 2 . 1 1 99 99 CYS CA C 99 53.985 53.985 57.953 -3.968 25762 1260 1 2 . 1 1 99 99 CYS CB C 99 44.177 44.177 29.967 14.210 25762 1261 1 2 . 1 1 99 99 CYS H H 99 7.978 7.978 8.685 -0.707 25762 1262 1 2 . 1 1 100 100 GLN N N 100 123.539 123.539 122.751 0.788 25762 1263 1 2 . 1 1 100 100 GLN HA H 100 4.300 4.300 4.373 -0.073 25762 1264 1 2 . 1 1 100 100 GLN C C 100 178.317 178.317 175.201 3.116 25762 1265 1 2 . 1 1 100 100 GLN CA C 100 56.157 56.157 55.953 0.204 25762 1266 1 2 . 1 1 100 100 GLN CB C 100 29.303 29.303 29.474 -0.171 25762 1267 1 2 . 1 1 100 100 GLN H H 100 8.864 8.864 8.576 0.288 25762 1268 1 2 . 1 1 101 101 LYS N N 101 125.153 125.153 120.422 4.731 25762 1269 1 2 . 1 1 101 101 LYS HA H 101 4.020 4.020 4.205 -0.185 25762 1270 1 2 . 1 1 101 101 LYS C C 101 176.669 176.669 176.045 0.624 25762 1271 1 2 . 1 1 101 101 LYS CA C 101 59.876 59.876 58.242 1.634 25762 1272 1 2 . 1 1 101 101 LYS CB C 101 32.760 32.760 32.754 0.006 25762 1273 1 2 . 1 1 101 101 LYS H H 101 9.063 9.063 8.589 0.474 25762 1274 1 2 . 1 1 102 102 THR N N 102 111.208 111.208 110.167 1.041 25762 1275 1 2 . 1 1 102 102 THR HA H 102 5.260 5.260 4.828 0.432 25762 1276 1 2 . 1 1 102 102 THR C C 102 173.097 173.097 173.138 -0.041 25762 1277 1 2 . 1 1 102 102 THR CA C 102 59.922 59.922 60.934 -1.012 25762 1278 1 2 . 1 1 102 102 THR CB C 102 71.788 71.788 71.012 0.776 25762 1279 1 2 . 1 1 102 102 THR H H 102 7.706 7.706 7.454 0.252 25762 1280 1 2 . 1 1 103 103 VAL N N 103 117.395 117.395 121.322 -3.927 25762 1281 1 2 . 1 1 103 103 VAL HA H 103 4.510 4.510 4.671 -0.161 25762 1282 1 2 . 1 1 103 103 VAL C C 103 174.132 174.132 174.028 0.104 25762 1283 1 2 . 1 1 103 103 VAL CA C 103 59.538 59.538 60.400 -0.862 25762 1284 1 2 . 1 1 103 103 VAL CB C 103 35.523 35.523 34.919 0.604 25762 1285 1 2 . 1 1 103 103 VAL H H 103 8.192 8.192 9.176 -0.984 25762 1286 1 2 . 1 1 104 104 THR N N 104 117.862 117.862 121.611 -3.749 25762 1287 1 2 . 1 1 104 104 THR HA H 104 5.098 5.098 5.136 -0.037 25762 1288 1 2 . 1 1 104 104 THR C C 104 173.646 173.646 173.712 -0.066 25762 1289 1 2 . 1 1 104 104 THR CA C 104 61.458 61.458 61.757 -0.299 25762 1290 1 2 . 1 1 104 104 THR CB C 104 71.177 71.177 70.830 0.347 25762 1291 1 2 . 1 1 104 104 THR H H 104 8.332 8.332 8.305 0.027 25762 1292 1 2 . 1 1 105 105 ILE N N 105 124.431 124.431 123.927 0.504 25762 1293 1 2 . 1 1 105 105 ILE HA H 105 4.670 4.670 4.671 -0.001 25762 1294 1 2 . 1 1 105 105 ILE C C 105 174.296 174.296 173.545 0.751 25762 1295 1 2 . 1 1 105 105 ILE CA C 105 59.695 59.695 59.764 -0.069 25762 1296 1 2 . 1 1 105 105 ILE CB C 105 41.116 41.116 41.210 -0.094 25762 1297 1 2 . 1 1 105 105 ILE H H 105 8.868 8.868 8.846 0.022 25762 1298 1 2 . 1 1 106 106 SER N N 106 118.430 118.430 119.832 -1.402 25762 1299 1 2 . 1 1 106 106 SER HA H 106 3.760 3.760 5.046 -1.286 25762 1300 1 2 . 1 1 106 106 SER C C 106 173.441 173.441 173.739 -0.298 25762 1301 1 2 . 1 1 106 106 SER CA C 106 56.877 56.877 56.948 -0.071 25762 1302 1 2 . 1 1 106 106 SER CB C 106 67.115 67.115 65.283 1.832 25762 1303 1 2 . 1 1 106 106 SER H H 106 8.559 8.559 8.483 0.076 25762 1304 1 2 . 1 1 107 107 LYS N N 107 121.976 121.976 122.504 -0.528 25762 1305 1 2 . 1 1 107 107 LYS CA C 107 53.625 53.625 53.328 0.297 25762 1306 1 2 . 1 1 107 107 LYS CB C 107 35.515 35.515 34.791 0.724 25762 1307 1 2 . 1 1 107 107 LYS H H 107 9.060 9.060 9.015 0.045 25762 1308 1 2 . 1 1 108 108 PRO HA H 108 4.940 4.940 4.314 0.626 25762 1309 1 2 . 1 1 108 108 PRO C C 108 176.741 176.741 176.219 0.522 25762 1310 1 2 . 1 1 108 108 PRO CA C 108 62.870 62.870 62.880 -0.010 25762 1311 1 2 . 1 1 108 108 PRO CB C 108 32.590 32.590 31.581 1.009 25762 1312 1 2 . 1 1 109 109 CYS N N 109 118.313 118.313 123.828 -5.515 25762 1313 1 2 . 1 1 109 109 CYS HA H 109 4.501 4.501 4.593 -0.092 25762 1314 1 2 . 1 1 109 109 CYS C C 109 173.369 173.369 176.351 -2.982 25762 1315 1 2 . 1 1 109 109 CYS CA C 109 55.950 55.950 57.264 -1.314 25762 1316 1 2 . 1 1 109 109 CYS CB C 109 44.620 44.620 29.106 15.514 25762 1317 1 2 . 1 1 109 109 CYS H H 109 8.237 8.237 8.389 -0.152 25762 1318 1 2 . 1 1 110 110 GLY N N 110 108.677 108.677 111.238 -2.561 25762 1319 1 2 . 1 1 110 110 GLY C C 110 173.455 173.455 173.846 -0.391 25762 1320 1 2 . 1 1 110 110 GLY CA C 110 45.276 45.276 46.206 -0.930 25762 1321 1 2 . 1 1 110 110 GLY H H 110 8.220 8.220 8.700 -0.480 25762 1322 1 2 . 1 1 111 111 LYS N N 111 121.361 121.361 123.958 -2.597 25762 1323 1 2 . 1 1 111 111 LYS HA H 111 4.270 4.270 4.502 -0.232 25762 1324 1 2 . 1 1 111 111 LYS C C 111 176.597 176.597 175.766 0.831 25762 1325 1 2 . 1 1 111 111 LYS CA C 111 56.420 56.420 55.725 0.695 25762 1326 1 2 . 1 1 111 111 LYS CB C 111 33.470 33.470 32.671 0.799 25762 1327 1 2 . 1 1 111 111 LYS H H 111 8.239 8.239 7.836 0.403 25762 1328 1 2 . 1 1 112 112 LEU N N 112 123.971 123.971 123.051 0.920 25762 1329 1 2 . 1 1 112 112 LEU HA H 112 4.410 4.410 4.083 0.327 25762 1330 1 2 . 1 1 112 112 LEU C C 112 177.404 177.404 176.129 1.275 25762 1331 1 2 . 1 1 112 112 LEU CA C 112 55.150 55.150 55.018 0.132 25762 1332 1 2 . 1 1 112 112 LEU CB C 112 42.349 42.349 40.489 1.860 25762 1333 1 2 . 1 1 112 112 LEU H H 112 8.340 8.340 8.887 -0.547 25762 1334 1 2 . 1 1 113 113 THR N N 113 116.653 116.653 113.661 2.992 25762 1335 1 2 . 1 1 113 113 THR HA H 113 4.310 4.310 4.409 -0.099 25762 1336 1 2 . 1 1 113 113 THR C C 113 174.082 174.082 174.331 -0.249 25762 1337 1 2 . 1 1 113 113 THR CA C 113 61.676 61.676 62.080 -0.404 25762 1338 1 2 . 1 1 113 113 THR CB C 113 69.090 69.090 69.239 -0.149 25762 1339 1 2 . 1 1 113 113 THR H H 113 8.150 8.150 8.074 0.076 25762 1340 1 2 . 1 1 114 114 LYS N N 114 125.770 125.770 127.173 -1.403 25762 1341 1 2 . 1 1 114 114 LYS CA C 114 54.157 54.157 54.483 -0.326 25762 1342 1 2 . 1 1 114 114 LYS CB C 114 32.820 32.820 33.334 -0.514 25762 1343 1 2 . 1 1 114 114 LYS H H 114 8.290 8.290 8.418 -0.128 25762 1344 1 2 . 1 1 115 115 PRO HA H 115 4.350 4.350 4.525 -0.175 25762 1345 1 2 . 1 1 115 115 PRO C C 115 176.679 176.679 176.228 0.451 25762 1346 1 2 . 1 1 115 115 PRO CA C 115 62.960 62.960 62.856 0.104 25762 1347 1 2 . 1 1 115 115 PRO CB C 115 31.860 31.860 32.381 -0.521 25762 1348 1 2 . 1 1 116 116 LYS N N 116 123.818 123.818 121.734 2.084 25762 1349 1 2 . 1 1 116 116 LYS CA C 116 54.338 54.338 55.014 -0.676 25762 1350 1 2 . 1 1 116 116 LYS CB C 116 32.913 32.913 33.246 -0.333 25762 1351 1 2 . 1 1 116 116 LYS H H 116 8.441 8.441 8.587 -0.146 25762 1352 1 2 . 1 1 117 117 PRO HA H 117 4.403 4.403 4.380 0.023 25762 1353 1 2 . 1 1 117 117 PRO C C 117 177.038 177.038 176.286 0.752 25762 1354 1 2 . 1 1 117 117 PRO CA C 117 63.360 63.360 62.987 0.373 25762 1355 1 2 . 1 1 117 117 PRO CB C 117 32.060 32.060 30.542 1.518 25762 1356 1 2 . 1 1 118 118 GLN N N 118 121.596 121.596 120.498 1.098 25762 1357 1 2 . 1 1 118 118 GLN HA H 118 4.270 4.270 4.171 0.099 25762 1358 1 2 . 1 1 118 118 GLN C C 118 175.963 175.963 175.862 0.101 25762 1359 1 2 . 1 1 118 118 GLN CA C 118 55.916 55.916 55.720 0.196 25762 1360 1 2 . 1 1 118 118 GLN CB C 118 29.743 29.743 29.200 0.543 25762 1361 1 2 . 1 1 118 118 GLN H H 118 8.510 8.510 8.203 0.307 25762 1362 1 2 . 1 1 119 119 ALA N N 119 126.073 126.073 123.588 2.485 25762 1363 1 2 . 1 1 119 119 ALA HA H 119 4.270 4.270 4.315 -0.045 25762 1364 1 2 . 1 1 119 119 ALA C C 119 177.921 177.921 176.815 1.106 25762 1365 1 2 . 1 1 119 119 ALA CA C 119 52.765 52.765 52.517 0.248 25762 1366 1 2 . 1 1 119 119 ALA CB C 119 19.501 19.501 19.031 0.470 25762 1367 1 2 . 1 1 119 119 ALA H H 119 8.389 8.389 7.928 0.461 25762 1368 1 2 . 1 1 120 120 GLU N N 120 121.107 121.107 123.746 -2.639 25762 1369 1 2 . 1 1 120 120 GLU HA H 120 4.260 4.260 4.706 -0.446 25762 1370 1 2 . 1 1 120 120 GLU C C 120 176.819 176.819 175.426 1.393 25762 1371 1 2 . 1 1 120 120 GLU CA C 120 56.680 56.680 55.824 0.856 25762 1372 1 2 . 1 1 120 120 GLU CB C 120 30.482 30.482 31.385 -0.903 25762 1373 1 2 . 1 1 120 120 GLU H H 120 8.441 8.441 8.559 -0.118 25762 1374 1 2 . 1 1 121 121 SER N N 121 117.791 117.791 119.316 -1.525 25762 1375 1 2 . 1 1 121 121 SER HA H 121 4.410 4.410 4.778 -0.368 25762 1376 1 2 . 1 1 121 121 SER C C 121 174.892 174.892 174.695 0.197 25762 1377 1 2 . 1 1 121 121 SER CA C 121 58.548 58.548 57.520 1.028 25762 1378 1 2 . 1 1 121 121 SER CB C 121 63.668 63.668 65.007 -1.339 25762 1379 1 2 . 1 1 121 121 SER H H 121 8.379 8.379 8.446 -0.067 25762 1380 1 2 . 1 1 122 122 LYS N N 122 123.955 123.955 117.028 6.927 25762 1381 1 2 . 1 1 122 122 LYS CA C 122 56.474 56.474 57.823 -1.349 25762 1382 1 2 . 1 1 122 122 LYS CB C 122 33.335 33.335 31.027 2.308 25762 1383 1 2 . 1 1 122 122 LYS H H 122 8.329 8.329 8.844 -0.515 25762 1384 1 2 . 1 1 125 125 LYS HA H 125 4.310 4.310 4.099 0.211 25762 1385 1 2 . 1 1 125 125 LYS C C 125 176.721 176.721 176.774 -0.053 25762 1386 1 2 . 1 1 125 125 LYS CA C 125 56.580 56.580 57.784 -1.204 25762 1387 1 2 . 1 1 125 125 LYS CB C 125 32.810 32.810 32.688 0.122 25762 1388 1 2 . 1 1 126 126 LYS N N 126 122.569 122.569 121.119 1.450 25762 1389 1 2 . 1 1 126 126 LYS HA H 126 4.320 4.320 4.348 -0.028 25762 1390 1 2 . 1 1 126 126 LYS C C 126 176.512 176.512 175.358 1.154 25762 1391 1 2 . 1 1 126 126 LYS CA C 126 56.440 56.440 55.818 0.622 25762 1392 1 2 . 1 1 126 126 LYS CB C 126 33.057 33.057 32.963 0.094 25762 1393 1 2 . 1 1 126 126 LYS H H 126 8.169 8.169 7.810 0.359 25762 1394 1 2 . 1 1 127 127 GLU N N 127 123.450 123.450 122.092 1.358 25762 1395 1 2 . 1 1 127 127 GLU HA H 127 4.310 4.310 4.452 -0.142 25762 1396 1 2 . 1 1 127 127 GLU C C 127 176.800 176.800 175.972 0.828 25762 1397 1 2 . 1 1 127 127 GLU CA C 127 56.474 56.474 55.249 1.224 25762 1398 1 2 . 1 1 127 127 GLU CB C 127 30.620 30.620 31.532 -0.912 25762 1399 1 2 . 1 1 127 127 GLU H H 127 8.459 8.459 8.384 0.075 25762 1400 1 2 . 1 1 128 128 GLY N N 128 110.800 110.800 111.638 -0.838 25762 1401 1 2 . 1 1 128 128 GLY CA C 128 45.300 45.300 44.810 0.490 25762 1402 1 2 . 1 1 128 128 GLY H H 128 8.440 8.440 8.385 0.055 25762 1403 1 2 . 1 1 129 129 LYS HA H 129 4.270 4.270 4.263 0.007 25762 1404 1 2 . 1 1 129 129 LYS C C 129 176.516 176.516 175.782 0.734 25762 1405 1 2 . 1 1 129 129 LYS CA C 129 56.480 56.480 55.301 1.179 25762 1406 1 2 . 1 1 129 129 LYS CB C 129 32.860 32.860 30.979 1.881 25762 1407 1 2 . 1 1 130 130 LYS N N 130 124.071 124.071 122.835 1.236 25762 1408 1 2 . 1 1 130 130 LYS HA H 130 4.270 4.270 4.486 -0.216 25762 1409 1 2 . 1 1 130 130 LYS C C 130 176.545 176.545 175.201 1.344 25762 1410 1 2 . 1 1 130 130 LYS CA C 130 56.495 56.495 55.958 0.537 25762 1411 1 2 . 1 1 130 130 LYS CB C 130 33.020 33.020 34.161 -1.141 25762 1412 1 2 . 1 1 130 130 LYS H H 130 8.409 8.409 8.132 0.277 25762 1413 1 2 . 1 1 131 131 GLN N N 131 122.710 122.710 125.111 -2.401 25762 1414 1 2 . 1 1 131 131 GLN HA H 131 4.440 4.440 4.585 -0.145 25762 1415 1 2 . 1 1 131 131 GLN C C 131 175.866 175.866 174.781 1.085 25762 1416 1 2 . 1 1 131 131 GLN CA C 131 56.016 56.016 56.053 -0.037 25762 1417 1 2 . 1 1 131 131 GLN CB C 131 29.663 29.663 29.570 0.093 25762 1418 1 2 . 1 1 131 131 GLN H H 131 8.467 8.467 8.553 -0.086 25762 1419 1 2 . 1 1 132 132 GLU N N 132 123.586 123.586 124.787 -1.201 25762 1420 1 2 . 1 1 132 132 GLU HA H 132 4.250 4.250 4.568 -0.318 25762 1421 1 2 . 1 1 132 132 GLU C C 132 176.354 176.354 175.373 0.981 25762 1422 1 2 . 1 1 132 132 GLU CA C 132 56.537 56.537 55.264 1.273 25762 1423 1 2 . 1 1 132 132 GLU CB C 132 30.614 30.614 30.722 -0.108 25762 1424 1 2 . 1 1 132 132 GLU H H 132 8.490 8.490 8.542 -0.052 25762 1425 1 2 . 1 1 133 133 LYS N N 133 123.918 123.918 121.133 2.785 25762 1426 1 2 . 1 1 133 133 LYS HA H 133 4.280 4.280 4.322 -0.042 25762 1427 1 2 . 1 1 133 133 LYS C C 133 176.232 176.232 175.886 0.346 25762 1428 1 2 . 1 1 133 133 LYS CA C 133 56.311 56.311 56.285 0.027 25762 1429 1 2 . 1 1 133 133 LYS CB C 133 33.137 33.137 32.647 0.490 25762 1430 1 2 . 1 1 133 133 LYS H H 133 8.373 8.373 8.370 0.003 25762 1431 1 2 . 1 1 134 134 MET N N 134 122.994 122.994 123.552 -0.558 25762 1432 1 2 . 1 1 134 134 MET HA H 134 4.480 4.480 4.476 0.004 25762 1433 1 2 . 1 1 134 134 MET C C 134 175.946 175.946 175.994 -0.048 25762 1434 1 2 . 1 1 134 134 MET CA C 134 55.563 55.563 53.961 1.602 25762 1435 1 2 . 1 1 134 134 MET CB C 134 32.010 32.010 31.635 0.375 25762 1436 1 2 . 1 1 134 134 MET H H 134 8.436 8.436 8.555 -0.119 25762 1437 1 2 . 1 1 135 135 LEU N N 135 124.454 124.454 124.661 -0.207 25762 1438 1 2 . 1 1 135 135 LEU HA H 135 4.380 4.380 4.076 0.304 25762 1439 1 2 . 1 1 135 135 LEU C C 135 176.158 176.158 176.456 -0.298 25762 1440 1 2 . 1 1 135 135 LEU CA C 135 55.225 55.225 55.465 -0.240 25762 1441 1 2 . 1 1 135 135 LEU CB C 135 42.654 42.654 41.307 1.347 25762 1442 1 2 . 1 1 135 135 LEU H H 135 8.285 8.285 8.725 -0.440 25762 1443 1 3 . 1 1 2 2 LYS N N 2 121.740 121.740 120.137 1.603 25762 1444 1 3 . 1 1 2 2 LYS CA C 2 56.298 56.298 55.831 0.467 25762 1445 1 3 . 1 1 2 2 LYS CB C 2 33.384 33.384 32.978 0.406 25762 1446 1 3 . 1 1 2 2 LYS H H 2 8.229 8.229 8.371 -0.142 25762 1447 1 3 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.736 -0.336 25762 1448 1 3 . 1 1 6 6 PRO C C 6 176.964 176.964 175.974 0.990 25762 1449 1 3 . 1 1 6 6 PRO CA C 6 63.200 63.200 63.052 0.148 25762 1450 1 3 . 1 1 6 6 PRO CB C 6 32.100 32.100 32.324 -0.224 25762 1451 1 3 . 1 1 7 7 GLU N N 7 122.285 122.285 118.831 3.454 25762 1452 1 3 . 1 1 7 7 GLU HA H 7 4.260 4.260 4.505 -0.245 25762 1453 1 3 . 1 1 7 7 GLU C C 7 176.226 176.226 174.881 1.345 25762 1454 1 3 . 1 1 7 7 GLU CA C 7 56.493 56.493 55.142 1.351 25762 1455 1 3 . 1 1 7 7 GLU CB C 7 30.610 30.610 32.001 -1.391 25762 1456 1 3 . 1 1 7 7 GLU H H 7 8.551 8.551 8.193 0.358 25762 1457 1 3 . 1 1 8 8 LYS N N 8 122.572 122.572 121.741 0.831 25762 1458 1 3 . 1 1 8 8 LYS HA H 8 4.310 4.310 4.402 -0.092 25762 1459 1 3 . 1 1 8 8 LYS C C 8 176.541 176.541 176.106 0.435 25762 1460 1 3 . 1 1 8 8 LYS CA C 8 56.440 56.440 55.669 0.771 25762 1461 1 3 . 1 1 8 8 LYS CB C 8 33.195 33.195 32.560 0.635 25762 1462 1 3 . 1 1 8 8 LYS H H 8 8.346 8.346 8.420 -0.074 25762 1463 1 3 . 1 1 9 9 LYS N N 9 123.843 123.843 125.367 -1.524 25762 1464 1 3 . 1 1 9 9 LYS HA H 9 4.330 4.330 4.177 0.153 25762 1465 1 3 . 1 1 9 9 LYS C C 9 176.390 176.390 175.579 0.811 25762 1466 1 3 . 1 1 9 9 LYS CA C 9 56.537 56.537 56.708 -0.171 25762 1467 1 3 . 1 1 9 9 LYS CB C 9 33.160 33.160 32.912 0.248 25762 1468 1 3 . 1 1 9 9 LYS H H 9 8.505 8.505 8.710 -0.205 25762 1469 1 3 . 1 1 10 10 VAL N N 10 123.043 123.043 123.109 -0.066 25762 1470 1 3 . 1 1 10 10 VAL HA H 10 4.080 4.080 4.218 -0.138 25762 1471 1 3 . 1 1 10 10 VAL C C 10 175.887 175.887 174.752 1.135 25762 1472 1 3 . 1 1 10 10 VAL CA C 10 62.159 62.159 61.271 0.888 25762 1473 1 3 . 1 1 10 10 VAL CB C 10 33.080 33.080 34.047 -0.967 25762 1474 1 3 . 1 1 10 10 VAL H H 10 8.206 8.206 8.305 -0.099 25762 1475 1 3 . 1 1 11 11 LYS N N 11 126.952 126.952 127.063 -0.111 25762 1476 1 3 . 1 1 11 11 LYS HA H 11 4.320 4.320 4.642 -0.322 25762 1477 1 3 . 1 1 11 11 LYS C C 11 176.257 176.257 175.504 0.753 25762 1478 1 3 . 1 1 11 11 LYS CA C 11 56.085 56.085 55.774 0.311 25762 1479 1 3 . 1 1 11 11 LYS CB C 11 33.320 33.320 33.004 0.316 25762 1480 1 3 . 1 1 11 11 LYS H H 11 8.433 8.433 8.412 0.021 25762 1481 1 3 . 1 1 12 12 LYS N N 12 125.023 125.023 122.337 2.686 25762 1482 1 3 . 1 1 12 12 LYS HA H 12 4.260 4.260 4.605 -0.345 25762 1483 1 3 . 1 1 12 12 LYS C C 12 176.306 176.306 176.245 0.061 25762 1484 1 3 . 1 1 12 12 LYS CA C 12 56.605 56.605 55.429 1.176 25762 1485 1 3 . 1 1 12 12 LYS CB C 12 33.443 33.443 34.788 -1.345 25762 1486 1 3 . 1 1 12 12 LYS H H 12 8.446 8.446 8.503 -0.057 25762 1487 1 3 . 1 1 13 13 SER N N 13 117.836 117.836 117.604 0.232 25762 1488 1 3 . 1 1 13 13 SER HA H 13 4.460 4.460 4.495 -0.035 25762 1489 1 3 . 1 1 13 13 SER C C 13 174.456 174.456 174.434 0.022 25762 1490 1 3 . 1 1 13 13 SER CA C 13 57.950 57.950 57.760 0.190 25762 1491 1 3 . 1 1 13 13 SER CB C 13 64.048 64.048 63.875 0.173 25762 1492 1 3 . 1 1 13 13 SER H H 13 8.353 8.353 8.370 -0.017 25762 1493 1 3 . 1 1 14 14 ASP N N 14 124.256 124.256 123.068 1.188 25762 1494 1 3 . 1 1 14 14 ASP HA H 14 4.570 4.570 4.616 -0.046 25762 1495 1 3 . 1 1 14 14 ASP C C 14 175.559 175.559 176.014 -0.455 25762 1496 1 3 . 1 1 14 14 ASP CA C 14 54.045 54.045 53.916 0.129 25762 1497 1 3 . 1 1 14 14 ASP CB C 14 41.037 41.037 41.819 -0.782 25762 1498 1 3 . 1 1 14 14 ASP H H 14 8.479 8.479 8.503 -0.024 25762 1499 1 3 . 1 1 15 15 CYS N N 15 117.954 117.954 118.813 -0.859 25762 1500 1 3 . 1 1 15 15 CYS HA H 15 4.650 4.650 4.174 0.476 25762 1501 1 3 . 1 1 15 15 CYS C C 15 175.354 175.354 174.192 1.162 25762 1502 1 3 . 1 1 15 15 CYS CA C 15 55.413 55.413 59.973 -4.560 25762 1503 1 3 . 1 1 15 15 CYS CB C 15 43.497 43.497 25.871 17.626 25762 1504 1 3 . 1 1 15 15 CYS H H 15 7.901 7.901 8.725 -0.824 25762 1505 1 3 . 1 1 16 16 GLY N N 16 112.694 112.694 110.044 2.650 25762 1506 1 3 . 1 1 16 16 GLY C C 16 172.300 172.300 172.480 -0.180 25762 1507 1 3 . 1 1 16 16 GLY CA C 16 44.224 44.224 44.099 0.125 25762 1508 1 3 . 1 1 16 16 GLY H H 16 8.447 8.447 7.819 0.628 25762 1509 1 3 . 1 1 17 17 GLU N N 17 118.500 118.500 119.500 -1.000 25762 1510 1 3 . 1 1 17 17 GLU HA H 17 4.090 4.090 4.036 0.054 25762 1511 1 3 . 1 1 17 17 GLU C C 17 177.571 177.571 176.919 0.652 25762 1512 1 3 . 1 1 17 17 GLU CA C 17 55.900 55.900 55.523 0.377 25762 1513 1 3 . 1 1 17 17 GLU CB C 17 30.500 30.500 30.759 -0.259 25762 1514 1 3 . 1 1 17 17 GLU H H 17 8.250 8.250 8.438 -0.188 25762 1515 1 3 . 1 1 18 18 TRP N N 18 122.718 122.718 121.153 1.565 25762 1516 1 3 . 1 1 18 18 TRP HA H 18 4.040 4.040 4.346 -0.306 25762 1517 1 3 . 1 1 18 18 TRP C C 18 176.310 176.310 176.620 -0.310 25762 1518 1 3 . 1 1 18 18 TRP CA C 18 58.515 58.515 57.651 0.864 25762 1519 1 3 . 1 1 18 18 TRP CB C 18 30.365 30.365 29.075 1.290 25762 1520 1 3 . 1 1 18 18 TRP H H 18 8.319 8.319 8.200 0.119 25762 1521 1 3 . 1 1 19 19 GLN N N 19 123.305 123.305 122.218 1.087 25762 1522 1 3 . 1 1 19 19 GLN HA H 19 4.530 4.530 4.572 -0.042 25762 1523 1 3 . 1 1 19 19 GLN C C 19 175.571 175.571 174.717 0.854 25762 1524 1 3 . 1 1 19 19 GLN CA C 19 54.186 54.186 54.437 -0.251 25762 1525 1 3 . 1 1 19 19 GLN CB C 19 29.897 29.897 30.364 -0.467 25762 1526 1 3 . 1 1 19 19 GLN H H 19 9.140 9.140 8.639 0.501 25762 1527 1 3 . 1 1 20 20 TRP N N 20 125.311 125.311 125.221 0.090 25762 1528 1 3 . 1 1 20 20 TRP HA H 20 5.290 5.290 4.907 0.383 25762 1529 1 3 . 1 1 20 20 TRP C C 20 177.596 177.596 176.953 0.643 25762 1530 1 3 . 1 1 20 20 TRP CA C 20 56.651 56.651 55.968 0.683 25762 1531 1 3 . 1 1 20 20 TRP CB C 20 32.720 32.720 31.443 1.277 25762 1532 1 3 . 1 1 20 20 TRP H H 20 8.783 8.783 8.643 0.140 25762 1533 1 3 . 1 1 21 21 SER N N 21 120.041 120.041 117.305 2.736 25762 1534 1 3 . 1 1 21 21 SER HA H 21 4.440 4.440 4.866 -0.426 25762 1535 1 3 . 1 1 21 21 SER C C 21 173.795 173.795 173.454 0.341 25762 1536 1 3 . 1 1 21 21 SER CA C 21 57.292 57.292 57.024 0.268 25762 1537 1 3 . 1 1 21 21 SER CB C 21 65.435 65.435 65.194 0.242 25762 1538 1 3 . 1 1 21 21 SER H H 21 9.173 9.173 8.984 0.189 25762 1539 1 3 . 1 1 22 22 VAL N N 22 115.336 115.336 117.753 -2.417 25762 1540 1 3 . 1 1 22 22 VAL HA H 22 4.130 4.130 4.268 -0.138 25762 1541 1 3 . 1 1 22 22 VAL C C 22 175.183 175.183 176.039 -0.856 25762 1542 1 3 . 1 1 22 22 VAL CA C 22 62.008 62.008 60.961 1.047 25762 1543 1 3 . 1 1 22 22 VAL CB C 22 32.859 32.859 32.200 0.659 25762 1544 1 3 . 1 1 22 22 VAL H H 22 8.099 8.099 8.152 -0.053 25762 1545 1 3 . 1 1 23 23 CYS N N 23 122.154 122.154 127.270 -5.116 25762 1546 1 3 . 1 1 23 23 CYS HA H 23 4.330 4.330 4.255 0.075 25762 1547 1 3 . 1 1 23 23 CYS C C 23 173.335 173.335 174.861 -1.526 25762 1548 1 3 . 1 1 23 23 CYS CA C 23 56.598 56.598 59.490 -2.892 25762 1549 1 3 . 1 1 23 23 CYS CB C 23 42.166 42.166 26.061 16.105 25762 1550 1 3 . 1 1 23 23 CYS H H 23 8.433 8.433 8.572 -0.139 25762 1551 1 3 . 1 1 24 24 VAL N N 24 133.008 133.008 130.685 2.323 25762 1552 1 3 . 1 1 24 24 VAL HA H 24 4.260 4.260 4.449 -0.189 25762 1553 1 3 . 1 1 24 24 VAL CA C 24 59.409 59.409 59.251 0.158 25762 1554 1 3 . 1 1 24 24 VAL CB C 24 33.572 33.572 33.312 0.260 25762 1555 1 3 . 1 1 24 24 VAL H H 24 8.790 8.790 8.395 0.395 25762 1556 1 3 . 1 1 25 25 PRO HA H 25 4.380 4.380 4.547 -0.167 25762 1557 1 3 . 1 1 25 25 PRO C C 25 176.853 176.853 177.180 -0.327 25762 1558 1 3 . 1 1 25 25 PRO CA C 25 62.700 62.700 63.831 -1.131 25762 1559 1 3 . 1 1 25 25 PRO CB C 25 31.600 31.600 31.705 -0.105 25762 1560 1 3 . 1 1 26 26 THR N N 26 121.729 121.729 111.045 10.684 25762 1561 1 3 . 1 1 26 26 THR HA H 26 3.970 3.970 4.050 -0.080 25762 1562 1 3 . 1 1 26 26 THR C C 26 174.891 174.891 174.582 0.309 25762 1563 1 3 . 1 1 26 26 THR CA C 26 65.598 65.598 64.072 1.526 25762 1564 1 3 . 1 1 26 26 THR CB C 26 69.136 69.136 67.790 1.345 25762 1565 1 3 . 1 1 26 26 THR H H 26 9.199 9.199 8.322 0.877 25762 1566 1 3 . 1 1 27 27 SER N N 27 115.495 115.495 114.233 1.262 25762 1567 1 3 . 1 1 27 27 SER HA H 27 4.590 4.590 4.091 0.499 25762 1568 1 3 . 1 1 27 27 SER C C 27 173.700 173.700 173.426 0.274 25762 1569 1 3 . 1 1 27 27 SER CA C 27 57.326 57.326 59.807 -2.481 25762 1570 1 3 . 1 1 27 27 SER CB C 27 64.749 64.749 63.584 1.165 25762 1571 1 3 . 1 1 27 27 SER H H 27 8.676 8.676 7.683 0.993 25762 1572 1 3 . 1 1 28 28 GLY N N 28 111.492 111.492 108.638 2.854 25762 1573 1 3 . 1 1 28 28 GLY C C 28 173.803 173.803 175.016 -1.213 25762 1574 1 3 . 1 1 28 28 GLY CA C 28 45.965 45.965 45.056 0.909 25762 1575 1 3 . 1 1 28 28 GLY H H 28 8.482 8.482 8.526 -0.044 25762 1576 1 3 . 1 1 29 29 ASP N N 29 118.893 118.893 118.207 0.686 25762 1577 1 3 . 1 1 29 29 ASP HA H 29 4.750 4.750 4.252 0.498 25762 1578 1 3 . 1 1 29 29 ASP C C 29 175.806 175.806 174.396 1.410 25762 1579 1 3 . 1 1 29 29 ASP CA C 29 53.476 53.476 56.364 -2.888 25762 1580 1 3 . 1 1 29 29 ASP CB C 29 42.140 42.140 40.186 1.954 25762 1581 1 3 . 1 1 29 29 ASP H H 29 8.412 8.412 8.881 -0.469 25762 1582 1 3 . 1 1 30 30 CYS N N 30 113.937 113.937 119.684 -5.747 25762 1583 1 3 . 1 1 30 30 CYS HA H 30 3.840 3.840 4.618 -0.778 25762 1584 1 3 . 1 1 30 30 CYS C C 30 170.767 170.767 173.689 -2.922 25762 1585 1 3 . 1 1 30 30 CYS CA C 30 56.060 56.060 58.625 -2.565 25762 1586 1 3 . 1 1 30 30 CYS CB C 30 47.900 47.900 29.251 18.649 25762 1587 1 3 . 1 1 30 30 CYS H H 30 7.983 7.983 7.946 0.037 25762 1588 1 3 . 1 1 31 31 GLY N N 31 110.972 110.972 112.638 -1.666 25762 1589 1 3 . 1 1 31 31 GLY C C 31 173.804 173.804 172.614 1.190 25762 1590 1 3 . 1 1 31 31 GLY CA C 31 44.043 44.043 44.462 -0.419 25762 1591 1 3 . 1 1 31 31 GLY H H 31 9.376 9.376 8.045 1.331 25762 1592 1 3 . 1 1 32 32 LEU N N 32 123.077 123.077 122.582 0.495 25762 1593 1 3 . 1 1 32 32 LEU HA H 32 4.440 4.440 4.573 -0.133 25762 1594 1 3 . 1 1 32 32 LEU C C 32 177.802 177.802 175.968 1.834 25762 1595 1 3 . 1 1 32 32 LEU CA C 32 55.904 55.904 53.883 2.021 25762 1596 1 3 . 1 1 32 32 LEU CB C 32 42.825 42.825 44.255 -1.430 25762 1597 1 3 . 1 1 32 32 LEU H H 32 8.493 8.493 8.307 0.186 25762 1598 1 3 . 1 1 33 33 GLY N N 33 110.436 110.436 113.123 -2.687 25762 1599 1 3 . 1 1 33 33 GLY C C 33 174.279 174.279 173.199 1.080 25762 1600 1 3 . 1 1 33 33 GLY CA C 33 45.930 45.930 44.393 1.537 25762 1601 1 3 . 1 1 33 33 GLY H H 33 8.658 8.658 8.263 0.395 25762 1602 1 3 . 1 1 34 34 THR N N 34 113.118 113.118 115.365 -2.247 25762 1603 1 3 . 1 1 34 34 THR HA H 34 5.166 5.166 4.943 0.223 25762 1604 1 3 . 1 1 34 34 THR C C 34 173.246 173.246 172.632 0.614 25762 1605 1 3 . 1 1 34 34 THR CA C 34 60.776 60.776 62.292 -1.516 25762 1606 1 3 . 1 1 34 34 THR CB C 34 72.892 72.892 72.778 0.114 25762 1607 1 3 . 1 1 34 34 THR H H 34 8.040 8.040 7.937 0.103 25762 1608 1 3 . 1 1 35 35 ARG N N 35 120.371 120.371 122.392 -2.021 25762 1609 1 3 . 1 1 35 35 ARG HA H 35 4.980 4.980 4.945 0.035 25762 1610 1 3 . 1 1 35 35 ARG C C 35 173.802 173.802 173.855 -0.053 25762 1611 1 3 . 1 1 35 35 ARG CA C 35 54.100 54.100 55.008 -0.908 25762 1612 1 3 . 1 1 35 35 ARG CB C 35 33.790 33.790 34.791 -1.001 25762 1613 1 3 . 1 1 35 35 ARG H H 35 9.104 9.104 9.358 -0.254 25762 1614 1 3 . 1 1 36 36 GLU N N 36 122.259 122.259 123.922 -1.663 25762 1615 1 3 . 1 1 36 36 GLU HA H 36 5.160 5.160 4.971 0.189 25762 1616 1 3 . 1 1 36 36 GLU C C 36 175.960 175.960 175.463 0.497 25762 1617 1 3 . 1 1 36 36 GLU CA C 36 55.209 55.209 55.407 -0.198 25762 1618 1 3 . 1 1 36 36 GLU CB C 36 32.652 32.652 32.551 0.101 25762 1619 1 3 . 1 1 36 36 GLU H H 36 8.750 8.750 8.980 -0.230 25762 1620 1 3 . 1 1 37 37 GLY N N 37 116.895 116.895 110.519 6.376 25762 1621 1 3 . 1 1 37 37 GLY C C 37 173.097 173.097 172.634 0.463 25762 1622 1 3 . 1 1 37 37 GLY CA C 37 44.195 44.195 43.560 0.635 25762 1623 1 3 . 1 1 37 37 GLY H H 37 9.479 9.479 9.099 0.380 25762 1624 1 3 . 1 1 38 38 THR N N 38 114.848 114.848 113.394 1.454 25762 1625 1 3 . 1 1 38 38 THR HA H 38 5.540 5.540 5.006 0.534 25762 1626 1 3 . 1 1 38 38 THR C C 38 173.004 173.004 172.869 0.135 25762 1627 1 3 . 1 1 38 38 THR CA C 38 59.751 59.751 60.438 -0.687 25762 1628 1 3 . 1 1 38 38 THR CB C 38 72.666 72.666 71.842 0.824 25762 1629 1 3 . 1 1 38 38 THR H H 38 8.485 8.485 8.073 0.412 25762 1630 1 3 . 1 1 39 39 ARG N N 39 119.072 119.072 123.242 -4.170 25762 1631 1 3 . 1 1 39 39 ARG HA H 39 4.640 4.640 4.526 0.114 25762 1632 1 3 . 1 1 39 39 ARG C C 39 174.649 174.649 174.013 0.636 25762 1633 1 3 . 1 1 39 39 ARG CA C 39 54.587 54.587 54.740 -0.153 25762 1634 1 3 . 1 1 39 39 ARG CB C 39 33.285 33.285 33.459 -0.174 25762 1635 1 3 . 1 1 39 39 ARG H H 39 8.231 8.231 8.609 -0.378 25762 1636 1 3 . 1 1 40 40 THR N N 40 111.009 111.009 116.784 -5.775 25762 1637 1 3 . 1 1 40 40 THR HA H 40 4.440 4.440 5.184 -0.744 25762 1638 1 3 . 1 1 40 40 THR C C 40 173.890 173.890 174.078 -0.188 25762 1639 1 3 . 1 1 40 40 THR CA C 40 60.431 60.431 59.507 0.924 25762 1640 1 3 . 1 1 40 40 THR CB C 40 71.163 71.163 71.319 -0.156 25762 1641 1 3 . 1 1 40 40 THR H H 40 8.097 8.097 7.723 0.373 25762 1642 1 3 . 1 1 41 41 GLY N N 41 110.094 110.094 108.394 1.700 25762 1643 1 3 . 1 1 41 41 GLY C C 41 174.489 174.489 174.384 0.105 25762 1644 1 3 . 1 1 41 41 GLY CA C 41 45.487 45.487 44.125 1.362 25762 1645 1 3 . 1 1 41 41 GLY H H 41 8.146 8.146 8.215 -0.069 25762 1646 1 3 . 1 1 42 42 ALA N N 42 130.030 130.030 121.596 8.434 25762 1647 1 3 . 1 1 42 42 ALA HA H 42 4.150 4.150 4.154 -0.004 25762 1648 1 3 . 1 1 42 42 ALA C C 42 179.063 179.063 178.331 0.732 25762 1649 1 3 . 1 1 42 42 ALA CA C 42 54.737 54.737 54.227 0.510 25762 1650 1 3 . 1 1 42 42 ALA CB C 42 19.258 19.258 18.950 0.308 25762 1651 1 3 . 1 1 42 42 ALA H H 42 8.844 8.844 8.396 0.448 25762 1652 1 3 . 1 1 43 43 GLU N N 43 116.721 116.721 116.909 -0.188 25762 1653 1 3 . 1 1 43 43 GLU HA H 43 4.350 4.350 4.305 0.045 25762 1654 1 3 . 1 1 43 43 GLU C C 43 175.825 175.825 175.834 -0.009 25762 1655 1 3 . 1 1 43 43 GLU CA C 43 54.964 54.964 55.640 -0.676 25762 1656 1 3 . 1 1 43 43 GLU CB C 43 29.372 29.372 29.976 -0.604 25762 1657 1 3 . 1 1 43 43 GLU H H 43 9.070 9.070 7.882 1.188 25762 1658 1 3 . 1 1 44 44 CYS N N 44 120.031 120.031 119.982 0.049 25762 1659 1 3 . 1 1 44 44 CYS C C 44 174.887 174.887 174.809 0.078 25762 1660 1 3 . 1 1 44 44 CYS CA C 44 55.287 55.287 59.373 -4.086 25762 1661 1 3 . 1 1 44 44 CYS CB C 44 41.215 41.215 26.926 14.289 25762 1662 1 3 . 1 1 44 44 CYS H H 44 7.427 7.427 7.924 -0.497 25762 1663 1 3 . 1 1 45 45 LYS N N 45 127.192 127.192 125.044 2.148 25762 1664 1 3 . 1 1 45 45 LYS HA H 45 4.220 4.220 4.374 -0.154 25762 1665 1 3 . 1 1 45 45 LYS C C 45 176.464 176.464 175.039 1.425 25762 1666 1 3 . 1 1 45 45 LYS CA C 45 57.793 57.793 56.759 1.034 25762 1667 1 3 . 1 1 45 45 LYS CB C 45 32.251 32.251 33.948 -1.697 25762 1668 1 3 . 1 1 45 45 LYS H H 45 8.655 8.655 8.719 -0.064 25762 1669 1 3 . 1 1 46 46 GLN N N 46 119.454 119.454 116.443 3.011 25762 1670 1 3 . 1 1 46 46 GLN HA H 46 4.690 4.690 4.558 0.132 25762 1671 1 3 . 1 1 46 46 GLN C C 46 175.524 175.524 173.631 1.893 25762 1672 1 3 . 1 1 46 46 GLN CA C 46 55.759 55.759 55.407 0.352 25762 1673 1 3 . 1 1 46 46 GLN CB C 46 29.672 29.672 30.735 -1.063 25762 1674 1 3 . 1 1 46 46 GLN H H 46 7.831 7.831 7.571 0.260 25762 1675 1 3 . 1 1 47 47 THR N N 47 116.122 116.122 113.427 2.695 25762 1676 1 3 . 1 1 47 47 THR HA H 47 4.701 4.701 4.092 0.609 25762 1677 1 3 . 1 1 47 47 THR C C 47 173.458 173.458 172.404 1.054 25762 1678 1 3 . 1 1 47 47 THR CA C 47 61.693 61.693 63.230 -1.537 25762 1679 1 3 . 1 1 47 47 THR CB C 47 69.773 69.773 67.914 1.859 25762 1680 1 3 . 1 1 47 47 THR H H 47 8.633 8.633 8.317 0.316 25762 1681 1 3 . 1 1 48 48 MET N N 48 121.378 121.378 122.030 -0.652 25762 1682 1 3 . 1 1 48 48 MET HA H 48 5.610 5.610 4.919 0.691 25762 1683 1 3 . 1 1 48 48 MET C C 48 174.850 174.850 175.282 -0.432 25762 1684 1 3 . 1 1 48 48 MET CA C 48 55.321 55.321 54.788 0.533 25762 1685 1 3 . 1 1 48 48 MET CB C 48 36.529 36.529 37.136 -0.607 25762 1686 1 3 . 1 1 48 48 MET H H 48 7.838 7.838 8.243 -0.405 25762 1687 1 3 . 1 1 49 49 LYS N N 49 123.748 123.748 122.640 1.108 25762 1688 1 3 . 1 1 49 49 LYS HA H 49 4.560 4.560 4.912 -0.352 25762 1689 1 3 . 1 1 49 49 LYS C C 49 173.773 173.773 174.969 -1.196 25762 1690 1 3 . 1 1 49 49 LYS CA C 49 55.899 55.899 55.446 0.453 25762 1691 1 3 . 1 1 49 49 LYS CB C 49 36.032 36.032 36.693 -0.661 25762 1692 1 3 . 1 1 49 49 LYS H H 49 8.539 8.539 9.121 -0.582 25762 1693 1 3 . 1 1 50 50 THR N N 50 117.276 117.276 116.355 0.921 25762 1694 1 3 . 1 1 50 50 THR HA H 50 5.330 5.330 5.147 0.183 25762 1695 1 3 . 1 1 50 50 THR C C 50 174.047 174.047 174.158 -0.111 25762 1696 1 3 . 1 1 50 50 THR CA C 50 61.169 61.169 60.623 0.546 25762 1697 1 3 . 1 1 50 50 THR CB C 50 71.019 71.019 70.701 0.317 25762 1698 1 3 . 1 1 50 50 THR H H 50 8.416 8.416 8.305 0.111 25762 1699 1 3 . 1 1 51 51 GLN N N 51 123.996 123.996 123.130 0.866 25762 1700 1 3 . 1 1 51 51 GLN HA H 51 4.680 4.680 4.768 -0.088 25762 1701 1 3 . 1 1 51 51 GLN C C 51 174.453 174.453 174.303 0.150 25762 1702 1 3 . 1 1 51 51 GLN CA C 51 54.079 54.079 54.204 -0.125 25762 1703 1 3 . 1 1 51 51 GLN CB C 51 34.352 34.352 33.583 0.769 25762 1704 1 3 . 1 1 51 51 GLN H H 51 9.034 9.034 9.270 -0.236 25762 1705 1 3 . 1 1 52 52 ARG N N 52 124.759 124.759 121.599 3.160 25762 1706 1 3 . 1 1 52 52 ARG HA H 52 4.600 4.600 4.715 -0.115 25762 1707 1 3 . 1 1 52 52 ARG C C 52 174.978 174.978 175.610 -0.632 25762 1708 1 3 . 1 1 52 52 ARG CA C 52 56.600 56.600 55.562 1.038 25762 1709 1 3 . 1 1 52 52 ARG CB C 52 30.812 30.812 31.111 -0.299 25762 1710 1 3 . 1 1 52 52 ARG H H 52 8.520 8.520 8.411 0.109 25762 1711 1 3 . 1 1 53 53 CYS N N 53 120.158 120.158 123.690 -3.532 25762 1712 1 3 . 1 1 53 53 CYS HA H 53 4.130 4.130 4.568 -0.438 25762 1713 1 3 . 1 1 53 53 CYS C C 53 170.755 170.755 174.721 -3.966 25762 1714 1 3 . 1 1 53 53 CYS CA C 53 54.574 54.574 58.567 -3.993 25762 1715 1 3 . 1 1 53 53 CYS CB C 53 47.178 47.178 28.158 19.020 25762 1716 1 3 . 1 1 53 53 CYS H H 53 8.167 8.167 8.291 -0.124 25762 1717 1 3 . 1 1 54 54 LYS N N 54 120.283 120.283 122.267 -1.984 25762 1718 1 3 . 1 1 54 54 LYS HA H 54 4.840 4.840 4.571 0.269 25762 1719 1 3 . 1 1 54 54 LYS C C 54 175.166 175.166 175.438 -0.272 25762 1720 1 3 . 1 1 54 54 LYS CA C 54 55.611 55.611 55.506 0.105 25762 1721 1 3 . 1 1 54 54 LYS CB C 54 36.066 36.066 34.089 1.977 25762 1722 1 3 . 1 1 54 54 LYS H H 54 8.489 8.489 8.384 0.105 25762 1723 1 3 . 1 1 55 55 ILE N N 55 126.794 126.794 124.746 2.048 25762 1724 1 3 . 1 1 55 55 ILE HA H 55 4.600 4.600 4.529 0.071 25762 1725 1 3 . 1 1 55 55 ILE CA C 55 57.299 57.299 57.422 -0.123 25762 1726 1 3 . 1 1 55 55 ILE CB C 55 41.759 41.759 39.768 1.991 25762 1727 1 3 . 1 1 55 55 ILE H H 55 8.673 8.673 8.449 0.224 25762 1728 1 3 . 1 1 56 56 PRO HA H 56 4.360 4.360 4.558 -0.198 25762 1729 1 3 . 1 1 56 56 PRO C C 56 176.748 176.748 176.296 0.452 25762 1730 1 3 . 1 1 56 56 PRO CA C 56 63.790 63.790 62.414 1.376 25762 1731 1 3 . 1 1 56 56 PRO CB C 56 32.200 32.200 30.536 1.664 25762 1732 1 3 . 1 1 57 57 CYS N N 57 121.411 121.411 121.946 -0.535 25762 1733 1 3 . 1 1 57 57 CYS HA H 57 4.160 4.160 4.338 -0.178 25762 1734 1 3 . 1 1 57 57 CYS C C 57 174.867 174.867 174.425 0.442 25762 1735 1 3 . 1 1 57 57 CYS CA C 57 54.490 54.490 58.576 -4.086 25762 1736 1 3 . 1 1 57 57 CYS CB C 57 43.090 43.090 27.442 15.648 25762 1737 1 3 . 1 1 57 57 CYS H H 57 8.782 8.782 8.308 0.474 25762 1738 1 3 . 1 1 58 58 ASN N N 58 120.918 120.918 117.915 3.003 25762 1739 1 3 . 1 1 58 58 ASN HA H 58 4.620 4.620 4.811 -0.191 25762 1740 1 3 . 1 1 58 58 ASN C C 58 175.129 175.129 174.810 0.319 25762 1741 1 3 . 1 1 58 58 ASN CA C 58 53.832 53.832 52.291 1.541 25762 1742 1 3 . 1 1 58 58 ASN CB C 58 38.634 38.634 39.038 -0.404 25762 1743 1 3 . 1 1 58 58 ASN H H 58 8.551 8.551 7.985 0.566 25762 1744 1 3 . 1 1 59 59 TRP N N 59 121.791 121.791 124.013 -2.222 25762 1745 1 3 . 1 1 59 59 TRP HA H 59 4.604 4.604 4.550 0.054 25762 1746 1 3 . 1 1 59 59 TRP C C 59 176.374 176.374 176.746 -0.372 25762 1747 1 3 . 1 1 59 59 TRP CA C 59 57.605 57.605 57.759 -0.154 25762 1748 1 3 . 1 1 59 59 TRP CB C 59 29.487 29.487 28.366 1.121 25762 1749 1 3 . 1 1 59 59 TRP H H 59 8.010 8.010 8.798 -0.788 25762 1750 1 3 . 1 1 60 60 LYS N N 60 122.289 122.289 124.338 -2.049 25762 1751 1 3 . 1 1 60 60 LYS HA H 60 4.070 4.070 4.195 -0.125 25762 1752 1 3 . 1 1 60 60 LYS C C 60 176.685 176.685 176.194 0.491 25762 1753 1 3 . 1 1 60 60 LYS CA C 60 56.926 56.926 56.887 0.039 25762 1754 1 3 . 1 1 60 60 LYS CB C 60 32.877 32.877 33.142 -0.265 25762 1755 1 3 . 1 1 60 60 LYS H H 60 7.751 7.751 8.104 -0.353 25762 1756 1 3 . 1 1 61 61 LYS N N 61 121.691 121.691 118.315 3.376 25762 1757 1 3 . 1 1 61 61 LYS HA H 61 4.160 4.160 4.674 -0.514 25762 1758 1 3 . 1 1 61 61 LYS C C 61 176.731 176.731 176.686 0.045 25762 1759 1 3 . 1 1 61 61 LYS CA C 61 56.804 56.804 56.535 0.269 25762 1760 1 3 . 1 1 61 61 LYS CB C 61 32.910 32.910 32.374 0.536 25762 1761 1 3 . 1 1 61 61 LYS H H 61 7.963 7.963 7.837 0.126 25762 1762 1 3 . 1 1 62 62 GLN N N 62 120.611 120.611 122.504 -1.893 25762 1763 1 3 . 1 1 62 62 GLN HA H 62 4.240 4.240 4.551 -0.311 25762 1764 1 3 . 1 1 62 62 GLN C C 62 175.696 175.696 174.714 0.982 25762 1765 1 3 . 1 1 62 62 GLN CA C 62 56.416 56.416 55.144 1.272 25762 1766 1 3 . 1 1 62 62 GLN CB C 62 29.722 29.722 30.293 -0.571 25762 1767 1 3 . 1 1 62 62 GLN H H 62 8.177 8.177 8.714 -0.537 25762 1768 1 3 . 1 1 63 63 PHE N N 63 119.964 119.964 120.499 -0.535 25762 1769 1 3 . 1 1 63 63 PHE HA H 63 4.750 4.750 4.367 0.383 25762 1770 1 3 . 1 1 63 63 PHE C C 63 175.958 175.958 174.190 1.768 25762 1771 1 3 . 1 1 63 63 PHE CA C 63 57.339 57.339 58.736 -1.397 25762 1772 1 3 . 1 1 63 63 PHE CB C 63 39.813 39.813 39.551 0.262 25762 1773 1 3 . 1 1 63 63 PHE H H 63 7.990 7.990 7.876 0.114 25762 1774 1 3 . 1 1 64 64 GLY N N 64 110.674 110.674 111.135 -0.461 25762 1775 1 3 . 1 1 64 64 GLY C C 64 174.297 174.297 173.159 1.138 25762 1776 1 3 . 1 1 64 64 GLY CA C 64 45.306 45.306 44.399 0.907 25762 1777 1 3 . 1 1 64 64 GLY H H 64 8.427 8.427 7.845 0.582 25762 1778 1 3 . 1 1 65 65 ALA N N 65 124.213 124.213 126.583 -2.370 25762 1779 1 3 . 1 1 65 65 ALA HA H 65 4.260 4.260 4.254 0.006 25762 1780 1 3 . 1 1 65 65 ALA C C 65 178.028 178.028 178.608 -0.580 25762 1781 1 3 . 1 1 65 65 ALA CA C 65 53.400 53.400 53.460 -0.060 25762 1782 1 3 . 1 1 65 65 ALA CB C 65 19.372 19.372 19.125 0.247 25762 1783 1 3 . 1 1 65 65 ALA H H 65 8.316 8.316 8.570 -0.254 25762 1784 1 3 . 1 1 66 66 GLU N N 66 117.489 117.489 117.160 0.329 25762 1785 1 3 . 1 1 66 66 GLU HA H 66 4.240 4.240 4.270 -0.030 25762 1786 1 3 . 1 1 66 66 GLU C C 66 175.127 175.127 176.261 -1.134 25762 1787 1 3 . 1 1 66 66 GLU CA C 66 57.205 57.205 55.957 1.248 25762 1788 1 3 . 1 1 66 66 GLU CB C 66 29.924 29.924 29.764 0.160 25762 1789 1 3 . 1 1 66 66 GLU H H 66 8.697 8.697 8.075 0.622 25762 1790 1 3 . 1 1 67 67 CYS N N 67 119.305 119.305 120.900 -1.595 25762 1791 1 3 . 1 1 67 67 CYS HA H 67 4.310 4.310 4.120 0.190 25762 1792 1 3 . 1 1 67 67 CYS C C 67 172.436 172.436 174.217 -1.781 25762 1793 1 3 . 1 1 67 67 CYS CA C 67 53.300 53.300 58.894 -5.594 25762 1794 1 3 . 1 1 67 67 CYS CB C 67 41.122 41.122 28.523 12.600 25762 1795 1 3 . 1 1 67 67 CYS H H 67 7.758 7.758 7.496 0.262 25762 1796 1 3 . 1 1 68 68 LYS N N 68 123.248 123.248 121.750 1.498 25762 1797 1 3 . 1 1 68 68 LYS HA H 68 4.680 4.680 4.529 0.151 25762 1798 1 3 . 1 1 68 68 LYS C C 68 174.804 174.804 174.403 0.401 25762 1799 1 3 . 1 1 68 68 LYS CA C 68 54.009 54.009 55.457 -1.448 25762 1800 1 3 . 1 1 68 68 LYS CB C 68 33.651 33.651 34.288 -0.637 25762 1801 1 3 . 1 1 68 68 LYS H H 68 8.174 8.174 8.141 0.033 25762 1802 1 3 . 1 1 69 69 TYR N N 69 122.635 122.635 120.831 1.804 25762 1803 1 3 . 1 1 69 69 TYR HA H 69 4.410 4.410 4.716 -0.306 25762 1804 1 3 . 1 1 69 69 TYR C C 69 174.602 174.602 174.981 -0.379 25762 1805 1 3 . 1 1 69 69 TYR CA C 69 58.204 58.204 56.900 1.304 25762 1806 1 3 . 1 1 69 69 TYR CB C 69 42.100 42.100 41.319 0.781 25762 1807 1 3 . 1 1 69 69 TYR H H 69 8.769 8.769 8.431 0.338 25762 1808 1 3 . 1 1 70 70 GLN N N 70 120.984 120.984 122.878 -1.894 25762 1809 1 3 . 1 1 70 70 GLN HA H 70 4.590 4.590 4.682 -0.092 25762 1810 1 3 . 1 1 70 70 GLN C C 70 175.634 175.634 174.044 1.590 25762 1811 1 3 . 1 1 70 70 GLN CA C 70 54.108 54.108 54.515 -0.407 25762 1812 1 3 . 1 1 70 70 GLN CB C 70 29.900 29.900 31.279 -1.379 25762 1813 1 3 . 1 1 70 70 GLN H H 70 8.573 8.573 8.530 0.043 25762 1814 1 3 . 1 1 71 71 PHE N N 71 127.389 127.389 124.795 2.594 25762 1815 1 3 . 1 1 71 71 PHE HA H 71 4.970 4.970 4.978 -0.008 25762 1816 1 3 . 1 1 71 71 PHE C C 71 177.149 177.149 175.814 1.335 25762 1817 1 3 . 1 1 71 71 PHE CA C 71 58.976 58.976 57.093 1.883 25762 1818 1 3 . 1 1 71 71 PHE CB C 71 40.837 40.837 40.236 0.601 25762 1819 1 3 . 1 1 71 71 PHE H H 71 9.255 9.255 8.804 0.451 25762 1820 1 3 . 1 1 72 72 GLN N N 72 121.514 121.514 120.762 0.752 25762 1821 1 3 . 1 1 72 72 GLN HA H 72 4.440 4.440 4.488 -0.048 25762 1822 1 3 . 1 1 72 72 GLN C C 72 176.721 176.721 175.614 1.107 25762 1823 1 3 . 1 1 72 72 GLN CA C 72 54.707 54.707 55.195 -0.488 25762 1824 1 3 . 1 1 72 72 GLN CB C 72 29.983 29.983 30.172 -0.189 25762 1825 1 3 . 1 1 72 72 GLN H H 72 8.273 8.273 9.060 -0.787 25762 1826 1 3 . 1 1 73 73 ALA N N 73 122.414 122.414 125.104 -2.690 25762 1827 1 3 . 1 1 73 73 ALA HA H 73 4.220 4.220 4.538 -0.318 25762 1828 1 3 . 1 1 73 73 ALA C C 73 178.776 178.776 176.443 2.333 25762 1829 1 3 . 1 1 73 73 ALA CA C 73 52.751 52.751 51.546 1.205 25762 1830 1 3 . 1 1 73 73 ALA CB C 73 19.559 19.559 19.199 0.360 25762 1831 1 3 . 1 1 73 73 ALA H H 73 8.293 8.293 8.756 -0.463 25762 1832 1 3 . 1 1 74 74 TRP N N 74 120.412 120.412 125.854 -5.442 25762 1833 1 3 . 1 1 74 74 TRP HA H 74 4.260 4.260 4.583 -0.323 25762 1834 1 3 . 1 1 74 74 TRP C C 74 178.290 178.290 177.070 1.220 25762 1835 1 3 . 1 1 74 74 TRP CA C 74 58.982 58.982 57.662 1.320 25762 1836 1 3 . 1 1 74 74 TRP CB C 74 30.633 30.633 30.282 0.351 25762 1837 1 3 . 1 1 74 74 TRP H H 74 8.136 8.136 8.762 -0.626 25762 1838 1 3 . 1 1 75 75 GLY N N 75 109.881 109.881 109.059 0.822 25762 1839 1 3 . 1 1 75 75 GLY C C 75 177.700 177.700 173.312 4.388 25762 1840 1 3 . 1 1 75 75 GLY CA C 75 44.287 44.287 45.230 -0.943 25762 1841 1 3 . 1 1 75 75 GLY H H 75 8.763 8.763 8.212 0.551 25762 1842 1 3 . 1 1 76 76 GLU N N 76 116.900 116.900 124.542 -7.642 25762 1843 1 3 . 1 1 76 76 GLU HA H 76 4.230 4.230 4.632 -0.402 25762 1844 1 3 . 1 1 76 76 GLU C C 76 177.770 177.770 176.194 1.576 25762 1845 1 3 . 1 1 76 76 GLU CA C 76 55.700 55.700 54.614 1.086 25762 1846 1 3 . 1 1 76 76 GLU CB C 76 30.600 30.600 31.097 -0.497 25762 1847 1 3 . 1 1 76 76 GLU H H 76 8.400 8.400 7.932 0.468 25762 1848 1 3 . 1 1 77 77 CYS N N 77 121.846 121.846 122.525 -0.679 25762 1849 1 3 . 1 1 77 77 CYS HA H 77 4.150 4.150 4.776 -0.626 25762 1850 1 3 . 1 1 77 77 CYS C C 77 174.117 174.117 175.359 -1.242 25762 1851 1 3 . 1 1 77 77 CYS CA C 77 56.706 56.706 57.789 -1.083 25762 1852 1 3 . 1 1 77 77 CYS CB C 77 41.056 41.056 28.482 12.574 25762 1853 1 3 . 1 1 77 77 CYS H H 77 8.980 8.980 8.669 0.311 25762 1854 1 3 . 1 1 78 78 ASP N N 78 131.728 131.728 122.534 9.194 25762 1855 1 3 . 1 1 78 78 ASP HA H 78 3.370 3.370 4.841 -1.471 25762 1856 1 3 . 1 1 78 78 ASP C C 78 176.890 176.890 177.040 -0.150 25762 1857 1 3 . 1 1 78 78 ASP CA C 78 53.492 53.492 55.083 -1.591 25762 1858 1 3 . 1 1 78 78 ASP CB C 78 41.819 41.819 40.894 0.925 25762 1859 1 3 . 1 1 78 78 ASP H H 78 8.279 8.279 8.762 -0.483 25762 1860 1 3 . 1 1 79 79 LEU N N 79 127.191 127.191 125.208 1.983 25762 1861 1 3 . 1 1 79 79 LEU HA H 79 3.990 3.990 4.131 -0.141 25762 1862 1 3 . 1 1 79 79 LEU C C 79 178.627 178.627 178.098 0.529 25762 1863 1 3 . 1 1 79 79 LEU CA C 79 57.179 57.179 57.813 -0.634 25762 1864 1 3 . 1 1 79 79 LEU CB C 79 41.642 41.642 41.895 -0.253 25762 1865 1 3 . 1 1 79 79 LEU H H 79 8.763 8.763 8.562 0.201 25762 1866 1 3 . 1 1 80 80 ASN N N 80 116.238 116.238 116.189 0.049 25762 1867 1 3 . 1 1 80 80 ASN HA H 80 4.590 4.590 4.579 0.011 25762 1868 1 3 . 1 1 80 80 ASN C C 80 176.905 176.905 176.436 0.469 25762 1869 1 3 . 1 1 80 80 ASN CA C 80 55.800 55.800 55.404 0.396 25762 1870 1 3 . 1 1 80 80 ASN CB C 80 39.151 39.151 38.292 0.859 25762 1871 1 3 . 1 1 80 80 ASN H H 80 8.746 8.746 8.399 0.347 25762 1872 1 3 . 1 1 81 81 THR N N 81 108.459 108.459 109.015 -0.556 25762 1873 1 3 . 1 1 81 81 THR HA H 81 4.240 4.240 4.423 -0.183 25762 1874 1 3 . 1 1 81 81 THR C C 81 174.727 174.727 174.639 0.088 25762 1875 1 3 . 1 1 81 81 THR CA C 81 61.540 61.540 61.396 0.144 25762 1876 1 3 . 1 1 81 81 THR CB C 81 70.900 70.900 69.925 0.975 25762 1877 1 3 . 1 1 81 81 THR H H 81 7.666 7.666 7.343 0.323 25762 1878 1 3 . 1 1 82 82 ALA N N 82 122.870 122.870 122.975 -0.105 25762 1879 1 3 . 1 1 82 82 ALA HA H 82 3.820 3.820 3.998 -0.178 25762 1880 1 3 . 1 1 82 82 ALA C C 82 176.506 176.506 175.483 1.023 25762 1881 1 3 . 1 1 82 82 ALA CA C 82 53.603 53.603 53.401 0.202 25762 1882 1 3 . 1 1 82 82 ALA CB C 82 17.013 17.013 17.027 -0.014 25762 1883 1 3 . 1 1 82 82 ALA H H 82 8.687 8.687 7.918 0.769 25762 1884 1 3 . 1 1 83 83 LEU N N 83 117.374 117.374 116.003 1.371 25762 1885 1 3 . 1 1 83 83 LEU HA H 83 5.031 5.031 4.911 0.120 25762 1886 1 3 . 1 1 83 83 LEU C C 83 177.616 177.616 175.153 2.463 25762 1887 1 3 . 1 1 83 83 LEU CA C 83 54.098 54.098 53.278 0.820 25762 1888 1 3 . 1 1 83 83 LEU CB C 83 46.622 46.622 46.184 0.438 25762 1889 1 3 . 1 1 83 83 LEU H H 83 7.353 7.353 7.605 -0.252 25762 1890 1 3 . 1 1 84 84 LYS N N 84 122.053 122.053 120.578 1.475 25762 1891 1 3 . 1 1 84 84 LYS HA H 84 4.940 4.940 4.791 0.149 25762 1892 1 3 . 1 1 84 84 LYS C C 84 175.449 175.449 174.633 0.816 25762 1893 1 3 . 1 1 84 84 LYS CA C 84 54.287 54.287 54.853 -0.566 25762 1894 1 3 . 1 1 84 84 LYS CB C 84 36.060 36.060 36.119 -0.059 25762 1895 1 3 . 1 1 84 84 LYS H H 84 9.043 9.043 8.894 0.149 25762 1896 1 3 . 1 1 85 85 THR N N 85 114.896 114.896 117.075 -2.179 25762 1897 1 3 . 1 1 85 85 THR HA H 85 5.820 5.820 5.134 0.686 25762 1898 1 3 . 1 1 85 85 THR C C 85 174.123 174.123 173.694 0.429 25762 1899 1 3 . 1 1 85 85 THR CA C 85 61.226 61.226 59.752 1.474 25762 1900 1 3 . 1 1 85 85 THR CB C 85 72.857 72.857 70.801 2.056 25762 1901 1 3 . 1 1 85 85 THR H H 85 9.011 9.011 7.800 1.211 25762 1902 1 3 . 1 1 86 86 ARG N N 86 123.804 123.804 123.012 0.792 25762 1903 1 3 . 1 1 86 86 ARG C C 86 173.792 173.792 174.689 -0.897 25762 1904 1 3 . 1 1 86 86 ARG CA C 86 56.720 56.720 54.565 2.155 25762 1905 1 3 . 1 1 86 86 ARG CB C 86 33.185 33.185 34.452 -1.267 25762 1906 1 3 . 1 1 86 86 ARG H H 86 9.056 9.056 8.695 0.361 25762 1907 1 3 . 1 1 87 87 THR N N 87 117.796 117.796 118.125 -0.329 25762 1908 1 3 . 1 1 87 87 THR HA H 87 5.270 5.270 5.311 -0.041 25762 1909 1 3 . 1 1 87 87 THR C C 87 173.939 173.939 173.890 0.049 25762 1910 1 3 . 1 1 87 87 THR CA C 87 61.003 61.003 61.234 -0.231 25762 1911 1 3 . 1 1 87 87 THR CB C 87 71.091 71.091 71.345 -0.254 25762 1912 1 3 . 1 1 87 87 THR H H 87 8.387 8.387 8.570 -0.183 25762 1913 1 3 . 1 1 88 88 GLY N N 88 112.501 112.501 110.438 2.063 25762 1914 1 3 . 1 1 88 88 GLY C C 88 171.645 171.645 171.917 -0.272 25762 1915 1 3 . 1 1 88 88 GLY CA C 88 44.657 44.657 44.169 0.488 25762 1916 1 3 . 1 1 88 88 GLY H H 88 9.074 9.074 9.147 -0.073 25762 1917 1 3 . 1 1 89 89 SER N N 89 115.802 115.802 115.403 0.399 25762 1918 1 3 . 1 1 89 89 SER HA H 89 5.260 5.260 5.383 -0.123 25762 1919 1 3 . 1 1 89 89 SER C C 89 174.767 174.767 173.557 1.210 25762 1920 1 3 . 1 1 89 89 SER CA C 89 56.512 56.512 56.592 -0.080 25762 1921 1 3 . 1 1 89 89 SER CB C 89 65.434 65.434 67.023 -1.589 25762 1922 1 3 . 1 1 89 89 SER H H 89 8.217 8.217 8.126 0.091 25762 1923 1 3 . 1 1 90 90 LEU N N 90 128.595 128.595 125.229 3.366 25762 1924 1 3 . 1 1 90 90 LEU HA H 90 3.420 3.420 4.507 -1.087 25762 1925 1 3 . 1 1 90 90 LEU C C 90 176.399 176.399 177.032 -0.633 25762 1926 1 3 . 1 1 90 90 LEU CA C 90 56.558 56.558 54.975 1.583 25762 1927 1 3 . 1 1 90 90 LEU CB C 90 43.006 43.006 41.908 1.098 25762 1928 1 3 . 1 1 90 90 LEU H H 90 8.555 8.555 8.673 -0.118 25762 1929 1 3 . 1 1 91 91 LYS N N 91 128.646 128.646 126.948 1.698 25762 1930 1 3 . 1 1 91 91 LYS HA H 91 4.330 4.330 4.366 -0.036 25762 1931 1 3 . 1 1 91 91 LYS C C 91 176.318 176.318 176.028 0.290 25762 1932 1 3 . 1 1 91 91 LYS CA C 91 56.103 56.103 56.897 -0.794 25762 1933 1 3 . 1 1 91 91 LYS CB C 91 33.565 33.565 33.934 -0.369 25762 1934 1 3 . 1 1 91 91 LYS H H 91 9.065 9.065 8.468 0.597 25762 1935 1 3 . 1 1 92 92 ARG N N 92 118.834 118.834 119.247 -0.413 25762 1936 1 3 . 1 1 92 92 ARG HA H 92 4.220 4.220 4.420 -0.200 25762 1937 1 3 . 1 1 92 92 ARG C C 92 173.259 173.259 173.521 -0.262 25762 1938 1 3 . 1 1 92 92 ARG CA C 92 56.259 56.259 56.023 0.236 25762 1939 1 3 . 1 1 92 92 ARG CB C 92 32.623 32.623 33.406 -0.783 25762 1940 1 3 . 1 1 92 92 ARG H H 92 7.641 7.641 7.540 0.101 25762 1941 1 3 . 1 1 93 93 ALA N N 93 127.574 127.574 127.063 0.511 25762 1942 1 3 . 1 1 93 93 ALA HA H 93 4.870 4.870 4.414 0.456 25762 1943 1 3 . 1 1 93 93 ALA C C 93 177.037 177.037 175.820 1.217 25762 1944 1 3 . 1 1 93 93 ALA CA C 93 50.949 50.949 50.823 0.126 25762 1945 1 3 . 1 1 93 93 ALA CB C 93 21.664 21.664 20.698 0.966 25762 1946 1 3 . 1 1 93 93 ALA H H 93 8.451 8.451 8.362 0.089 25762 1947 1 3 . 1 1 94 94 LEU N N 94 123.296 123.296 121.850 1.446 25762 1948 1 3 . 1 1 94 94 LEU HA H 94 4.250 4.250 4.464 -0.214 25762 1949 1 3 . 1 1 94 94 LEU C C 94 177.256 177.256 177.690 -0.434 25762 1950 1 3 . 1 1 94 94 LEU CA C 94 55.137 55.137 54.328 0.809 25762 1951 1 3 . 1 1 94 94 LEU CB C 94 42.697 42.697 43.234 -0.537 25762 1952 1 3 . 1 1 94 94 LEU H H 94 8.654 8.654 8.637 0.017 25762 1953 1 3 . 1 1 95 95 HIS N N 95 116.413 116.413 118.355 -1.942 25762 1954 1 3 . 1 1 95 95 HIS HA H 95 4.430 4.430 4.556 -0.126 25762 1955 1 3 . 1 1 95 95 HIS C C 95 174.801 174.801 176.285 -1.484 25762 1956 1 3 . 1 1 95 95 HIS CA C 95 56.400 56.400 57.520 -1.121 25762 1957 1 3 . 1 1 95 95 HIS CB C 95 28.218 28.218 30.406 -2.188 25762 1958 1 3 . 1 1 95 95 HIS H H 95 8.642 8.642 8.552 0.090 25762 1959 1 3 . 1 1 96 96 ASN N N 96 115.824 115.824 119.695 -3.871 25762 1960 1 3 . 1 1 96 96 ASN HA H 96 4.450 4.450 4.770 -0.320 25762 1961 1 3 . 1 1 96 96 ASN C C 96 175.026 175.026 173.777 1.249 25762 1962 1 3 . 1 1 96 96 ASN CA C 96 53.692 53.692 52.507 1.185 25762 1963 1 3 . 1 1 96 96 ASN CB C 96 38.056 38.056 36.543 1.513 25762 1964 1 3 . 1 1 96 96 ASN H H 96 8.461 8.461 8.544 -0.083 25762 1965 1 3 . 1 1 97 97 ALA N N 97 122.558 122.558 122.061 0.497 25762 1966 1 3 . 1 1 97 97 ALA HA H 97 4.130 4.130 4.295 -0.165 25762 1967 1 3 . 1 1 97 97 ALA C C 97 177.337 177.337 175.002 2.335 25762 1968 1 3 . 1 1 97 97 ALA CA C 97 53.430 53.430 51.847 1.583 25762 1969 1 3 . 1 1 97 97 ALA CB C 97 20.204 20.204 20.750 -0.546 25762 1970 1 3 . 1 1 97 97 ALA H H 97 7.791 7.791 7.384 0.407 25762 1971 1 3 . 1 1 98 98 GLU N N 98 120.504 120.504 120.914 -0.410 25762 1972 1 3 . 1 1 98 98 GLU HA H 98 4.320 4.320 4.542 -0.222 25762 1973 1 3 . 1 1 98 98 GLU C C 98 176.154 176.154 175.430 0.724 25762 1974 1 3 . 1 1 98 98 GLU CA C 98 56.630 56.630 55.512 1.118 25762 1975 1 3 . 1 1 98 98 GLU CB C 98 29.496 29.496 30.315 -0.819 25762 1976 1 3 . 1 1 98 98 GLU H H 98 8.478 8.478 8.502 -0.024 25762 1977 1 3 . 1 1 99 99 CYS N N 99 122.399 122.399 122.696 -0.297 25762 1978 1 3 . 1 1 99 99 CYS HA H 99 4.820 4.820 4.608 0.212 25762 1979 1 3 . 1 1 99 99 CYS C C 99 174.711 174.711 175.143 -0.432 25762 1980 1 3 . 1 1 99 99 CYS CA C 99 53.985 53.985 58.021 -4.036 25762 1981 1 3 . 1 1 99 99 CYS CB C 99 44.177 44.177 27.905 16.272 25762 1982 1 3 . 1 1 99 99 CYS H H 99 7.978 7.978 8.727 -0.749 25762 1983 1 3 . 1 1 100 100 GLN N N 100 123.539 123.539 124.410 -0.871 25762 1984 1 3 . 1 1 100 100 GLN HA H 100 4.300 4.300 4.435 -0.135 25762 1985 1 3 . 1 1 100 100 GLN C C 100 178.317 178.317 176.118 2.199 25762 1986 1 3 . 1 1 100 100 GLN CA C 100 56.157 56.157 55.852 0.305 25762 1987 1 3 . 1 1 100 100 GLN CB C 100 29.303 29.303 29.554 -0.251 25762 1988 1 3 . 1 1 100 100 GLN H H 100 8.864 8.864 8.834 0.030 25762 1989 1 3 . 1 1 101 101 LYS N N 101 125.153 125.153 119.401 5.752 25762 1990 1 3 . 1 1 101 101 LYS HA H 101 4.020 4.020 4.172 -0.152 25762 1991 1 3 . 1 1 101 101 LYS C C 101 176.669 176.669 176.913 -0.244 25762 1992 1 3 . 1 1 101 101 LYS CA C 101 59.876 59.876 58.113 1.763 25762 1993 1 3 . 1 1 101 101 LYS CB C 101 32.760 32.760 32.608 0.152 25762 1994 1 3 . 1 1 101 101 LYS H H 101 9.063 9.063 8.677 0.386 25762 1995 1 3 . 1 1 102 102 THR N N 102 111.208 111.208 112.925 -1.717 25762 1996 1 3 . 1 1 102 102 THR HA H 102 5.260 5.260 5.204 0.056 25762 1997 1 3 . 1 1 102 102 THR C C 102 173.097 173.097 173.160 -0.063 25762 1998 1 3 . 1 1 102 102 THR CA C 102 59.922 59.922 59.912 0.010 25762 1999 1 3 . 1 1 102 102 THR CB C 102 71.788 71.788 71.140 0.648 25762 2000 1 3 . 1 1 102 102 THR H H 102 7.706 7.706 7.370 0.336 25762 2001 1 3 . 1 1 103 103 VAL N N 103 117.395 117.395 120.466 -3.071 25762 2002 1 3 . 1 1 103 103 VAL HA H 103 4.510 4.510 4.734 -0.224 25762 2003 1 3 . 1 1 103 103 VAL C C 103 174.132 174.132 173.763 0.369 25762 2004 1 3 . 1 1 103 103 VAL CA C 103 59.538 59.538 60.429 -0.891 25762 2005 1 3 . 1 1 103 103 VAL CB C 103 35.523 35.523 35.043 0.480 25762 2006 1 3 . 1 1 103 103 VAL H H 103 8.192 8.192 8.843 -0.651 25762 2007 1 3 . 1 1 104 104 THR N N 104 117.862 117.862 119.534 -1.672 25762 2008 1 3 . 1 1 104 104 THR HA H 104 5.098 5.098 5.339 -0.241 25762 2009 1 3 . 1 1 104 104 THR C C 104 173.646 173.646 174.050 -0.404 25762 2010 1 3 . 1 1 104 104 THR CA C 104 61.458 61.458 59.850 1.608 25762 2011 1 3 . 1 1 104 104 THR CB C 104 71.177 71.177 69.960 1.217 25762 2012 1 3 . 1 1 104 104 THR H H 104 8.332 8.332 8.204 0.128 25762 2013 1 3 . 1 1 105 105 ILE N N 105 124.431 124.431 123.257 1.174 25762 2014 1 3 . 1 1 105 105 ILE HA H 105 4.670 4.670 4.573 0.097 25762 2015 1 3 . 1 1 105 105 ILE C C 105 174.296 174.296 173.574 0.722 25762 2016 1 3 . 1 1 105 105 ILE CA C 105 59.695 59.695 59.652 0.043 25762 2017 1 3 . 1 1 105 105 ILE CB C 105 41.116 41.116 41.390 -0.274 25762 2018 1 3 . 1 1 105 105 ILE H H 105 8.868 8.868 8.714 0.154 25762 2019 1 3 . 1 1 106 106 SER N N 106 118.430 118.430 119.704 -1.274 25762 2020 1 3 . 1 1 106 106 SER HA H 106 3.760 3.760 4.855 -1.095 25762 2021 1 3 . 1 1 106 106 SER C C 106 173.441 173.441 173.280 0.161 25762 2022 1 3 . 1 1 106 106 SER CA C 106 56.877 56.877 57.291 -0.414 25762 2023 1 3 . 1 1 106 106 SER CB C 106 67.115 67.115 64.446 2.669 25762 2024 1 3 . 1 1 106 106 SER H H 106 8.559 8.559 8.376 0.183 25762 2025 1 3 . 1 1 107 107 LYS N N 107 121.976 121.976 127.157 -5.181 25762 2026 1 3 . 1 1 107 107 LYS CA C 107 53.625 53.625 52.892 0.733 25762 2027 1 3 . 1 1 107 107 LYS CB C 107 35.515 35.515 35.232 0.283 25762 2028 1 3 . 1 1 107 107 LYS H H 107 9.060 9.060 8.877 0.183 25762 2029 1 3 . 1 1 108 108 PRO HA H 108 4.940 4.940 4.349 0.591 25762 2030 1 3 . 1 1 108 108 PRO C C 108 176.741 176.741 175.824 0.917 25762 2031 1 3 . 1 1 108 108 PRO CA C 108 62.870 62.870 63.436 -0.566 25762 2032 1 3 . 1 1 108 108 PRO CB C 108 32.590 32.590 31.015 1.575 25762 2033 1 3 . 1 1 109 109 CYS N N 109 118.313 118.313 125.355 -7.042 25762 2034 1 3 . 1 1 109 109 CYS HA H 109 4.501 4.501 4.511 -0.010 25762 2035 1 3 . 1 1 109 109 CYS C C 109 173.369 173.369 176.470 -3.101 25762 2036 1 3 . 1 1 109 109 CYS CA C 109 55.950 55.950 60.017 -4.066 25762 2037 1 3 . 1 1 109 109 CYS CB C 109 44.620 44.620 28.199 16.421 25762 2038 1 3 . 1 1 109 109 CYS H H 109 8.237 8.237 8.647 -0.410 25762 2039 1 3 . 1 1 110 110 GLY N N 110 108.677 108.677 107.746 0.931 25762 2040 1 3 . 1 1 110 110 GLY C C 110 173.455 173.455 173.282 0.173 25762 2041 1 3 . 1 1 110 110 GLY CA C 110 45.276 45.276 44.994 0.282 25762 2042 1 3 . 1 1 110 110 GLY H H 110 8.220 8.220 8.170 0.050 25762 2043 1 3 . 1 1 111 111 LYS N N 111 121.361 121.361 119.449 1.912 25762 2044 1 3 . 1 1 111 111 LYS HA H 111 4.270 4.270 4.017 0.253 25762 2045 1 3 . 1 1 111 111 LYS C C 111 176.597 176.597 175.699 0.898 25762 2046 1 3 . 1 1 111 111 LYS CA C 111 56.420 56.420 56.397 0.023 25762 2047 1 3 . 1 1 111 111 LYS CB C 111 33.470 33.470 32.489 0.981 25762 2048 1 3 . 1 1 111 111 LYS H H 111 8.239 8.239 7.817 0.422 25762 2049 1 3 . 1 1 112 112 LEU N N 112 123.971 123.971 123.987 -0.016 25762 2050 1 3 . 1 1 112 112 LEU HA H 112 4.410 4.410 4.525 -0.115 25762 2051 1 3 . 1 1 112 112 LEU C C 112 177.404 177.404 176.948 0.456 25762 2052 1 3 . 1 1 112 112 LEU CA C 112 55.150 55.150 55.222 -0.072 25762 2053 1 3 . 1 1 112 112 LEU CB C 112 42.349 42.349 40.417 1.932 25762 2054 1 3 . 1 1 112 112 LEU H H 112 8.340 8.340 8.693 -0.353 25762 2055 1 3 . 1 1 113 113 THR N N 113 116.653 116.653 114.418 2.235 25762 2056 1 3 . 1 1 113 113 THR HA H 113 4.310 4.310 4.478 -0.168 25762 2057 1 3 . 1 1 113 113 THR C C 113 174.082 174.082 173.000 1.082 25762 2058 1 3 . 1 1 113 113 THR CA C 113 61.676 61.676 60.724 0.952 25762 2059 1 3 . 1 1 113 113 THR CB C 113 69.090 69.090 71.230 -2.140 25762 2060 1 3 . 1 1 113 113 THR H H 113 8.150 8.150 7.087 1.063 25762 2061 1 3 . 1 1 114 114 LYS N N 114 125.770 125.770 123.455 2.315 25762 2062 1 3 . 1 1 114 114 LYS CA C 114 54.157 54.157 56.003 -1.846 25762 2063 1 3 . 1 1 114 114 LYS CB C 114 32.820 32.820 32.009 0.811 25762 2064 1 3 . 1 1 114 114 LYS H H 114 8.290 8.290 8.513 -0.223 25762 2065 1 3 . 1 1 115 115 PRO HA H 115 4.350 4.350 4.384 -0.034 25762 2066 1 3 . 1 1 115 115 PRO C C 115 176.679 176.679 176.257 0.422 25762 2067 1 3 . 1 1 115 115 PRO CA C 115 62.960 62.960 62.710 0.250 25762 2068 1 3 . 1 1 115 115 PRO CB C 115 31.860 31.860 32.245 -0.385 25762 2069 1 3 . 1 1 116 116 LYS N N 116 123.818 123.818 118.005 5.813 25762 2070 1 3 . 1 1 116 116 LYS CA C 116 54.338 54.338 56.212 -1.874 25762 2071 1 3 . 1 1 116 116 LYS CB C 116 32.913 32.913 31.635 1.278 25762 2072 1 3 . 1 1 116 116 LYS H H 116 8.441 8.441 8.463 -0.022 25762 2073 1 3 . 1 1 117 117 PRO HA H 117 4.403 4.403 4.438 -0.035 25762 2074 1 3 . 1 1 117 117 PRO C C 117 177.038 177.038 176.572 0.466 25762 2075 1 3 . 1 1 117 117 PRO CA C 117 63.360 63.360 63.437 -0.077 25762 2076 1 3 . 1 1 117 117 PRO CB C 117 32.060 32.060 30.135 1.925 25762 2077 1 3 . 1 1 118 118 GLN N N 118 121.596 121.596 112.574 9.022 25762 2078 1 3 . 1 1 118 118 GLN HA H 118 4.270 4.270 4.014 0.256 25762 2079 1 3 . 1 1 118 118 GLN C C 118 175.963 175.963 174.893 1.070 25762 2080 1 3 . 1 1 118 118 GLN CA C 118 55.916 55.916 56.867 -0.951 25762 2081 1 3 . 1 1 118 118 GLN CB C 118 29.743 29.743 25.935 3.808 25762 2082 1 3 . 1 1 118 118 GLN H H 118 8.510 8.510 8.635 -0.125 25762 2083 1 3 . 1 1 119 119 ALA N N 119 126.073 126.073 121.620 4.453 25762 2084 1 3 . 1 1 119 119 ALA HA H 119 4.270 4.270 4.514 -0.244 25762 2085 1 3 . 1 1 119 119 ALA C C 119 177.921 177.921 177.056 0.865 25762 2086 1 3 . 1 1 119 119 ALA CA C 119 52.765 52.765 51.673 1.091 25762 2087 1 3 . 1 1 119 119 ALA CB C 119 19.501 19.501 18.724 0.777 25762 2088 1 3 . 1 1 119 119 ALA H H 119 8.389 8.389 7.827 0.562 25762 2089 1 3 . 1 1 120 120 GLU N N 120 121.107 121.107 123.285 -2.178 25762 2090 1 3 . 1 1 120 120 GLU HA H 120 4.260 4.260 4.597 -0.337 25762 2091 1 3 . 1 1 120 120 GLU C C 120 176.819 176.819 176.050 0.769 25762 2092 1 3 . 1 1 120 120 GLU CA C 120 56.680 56.680 55.305 1.375 25762 2093 1 3 . 1 1 120 120 GLU CB C 120 30.482 30.482 30.673 -0.191 25762 2094 1 3 . 1 1 120 120 GLU H H 120 8.441 8.441 8.331 0.110 25762 2095 1 3 . 1 1 121 121 SER N N 121 117.791 117.791 116.771 1.020 25762 2096 1 3 . 1 1 121 121 SER HA H 121 4.410 4.410 4.587 -0.177 25762 2097 1 3 . 1 1 121 121 SER C C 121 174.892 174.892 174.763 0.129 25762 2098 1 3 . 1 1 121 121 SER CA C 121 58.548 58.548 58.016 0.532 25762 2099 1 3 . 1 1 121 121 SER CB C 121 63.668 63.668 63.875 -0.207 25762 2100 1 3 . 1 1 121 121 SER H H 121 8.379 8.379 8.401 -0.022 25762 2101 1 3 . 1 1 122 122 LYS N N 122 123.955 123.955 124.055 -0.100 25762 2102 1 3 . 1 1 122 122 LYS CA C 122 56.474 56.474 56.303 0.171 25762 2103 1 3 . 1 1 122 122 LYS CB C 122 33.335 33.335 32.518 0.817 25762 2104 1 3 . 1 1 122 122 LYS H H 122 8.329 8.329 8.585 -0.256 25762 2105 1 3 . 1 1 125 125 LYS HA H 125 4.310 4.310 4.043 0.267 25762 2106 1 3 . 1 1 125 125 LYS C C 125 176.721 176.721 176.710 0.011 25762 2107 1 3 . 1 1 125 125 LYS CA C 125 56.580 56.580 59.053 -2.474 25762 2108 1 3 . 1 1 125 125 LYS CB C 125 32.810 32.810 32.906 -0.096 25762 2109 1 3 . 1 1 126 126 LYS N N 126 122.569 122.569 119.303 3.266 25762 2110 1 3 . 1 1 126 126 LYS HA H 126 4.320 4.320 4.426 -0.106 25762 2111 1 3 . 1 1 126 126 LYS C C 126 176.512 176.512 175.681 0.831 25762 2112 1 3 . 1 1 126 126 LYS CA C 126 56.440 56.440 55.736 0.704 25762 2113 1 3 . 1 1 126 126 LYS CB C 126 33.057 33.057 32.916 0.141 25762 2114 1 3 . 1 1 126 126 LYS H H 126 8.169 8.169 7.854 0.315 25762 2115 1 3 . 1 1 127 127 GLU N N 127 123.450 123.450 125.320 -1.870 25762 2116 1 3 . 1 1 127 127 GLU HA H 127 4.310 4.310 4.424 -0.114 25762 2117 1 3 . 1 1 127 127 GLU C C 127 176.800 176.800 176.787 0.013 25762 2118 1 3 . 1 1 127 127 GLU CA C 127 56.474 56.474 55.578 0.896 25762 2119 1 3 . 1 1 127 127 GLU CB C 127 30.620 30.620 30.670 -0.050 25762 2120 1 3 . 1 1 127 127 GLU H H 127 8.459 8.459 8.740 -0.281 25762 2121 1 3 . 1 1 128 128 GLY N N 128 110.800 110.800 116.209 -5.409 25762 2122 1 3 . 1 1 128 128 GLY CA C 128 45.300 45.300 45.744 -0.444 25762 2123 1 3 . 1 1 128 128 GLY H H 128 8.440 8.440 8.764 -0.324 25762 2124 1 3 . 1 1 129 129 LYS HA H 129 4.270 4.270 4.382 -0.112 25762 2125 1 3 . 1 1 129 129 LYS C C 129 176.516 176.516 174.996 1.520 25762 2126 1 3 . 1 1 129 129 LYS CA C 129 56.480 56.480 55.492 0.988 25762 2127 1 3 . 1 1 129 129 LYS CB C 129 32.860 32.860 34.377 -1.517 25762 2128 1 3 . 1 1 130 130 LYS N N 130 124.071 124.071 124.462 -0.391 25762 2129 1 3 . 1 1 130 130 LYS HA H 130 4.270 4.270 4.343 -0.073 25762 2130 1 3 . 1 1 130 130 LYS C C 130 176.545 176.545 176.465 0.080 25762 2131 1 3 . 1 1 130 130 LYS CA C 130 56.495 56.495 56.585 -0.090 25762 2132 1 3 . 1 1 130 130 LYS CB C 130 33.020 33.020 30.706 2.314 25762 2133 1 3 . 1 1 130 130 LYS H H 130 8.409 8.409 8.532 -0.123 25762 2134 1 3 . 1 1 131 131 GLN N N 131 122.710 122.710 123.216 -0.506 25762 2135 1 3 . 1 1 131 131 GLN HA H 131 4.440 4.440 4.658 -0.218 25762 2136 1 3 . 1 1 131 131 GLN C C 131 175.866 175.866 175.396 0.470 25762 2137 1 3 . 1 1 131 131 GLN CA C 131 56.016 56.016 55.096 0.920 25762 2138 1 3 . 1 1 131 131 GLN CB C 131 29.663 29.663 30.646 -0.984 25762 2139 1 3 . 1 1 131 131 GLN H H 131 8.467 8.467 8.189 0.278 25762 2140 1 3 . 1 1 132 132 GLU N N 132 123.586 123.586 118.500 5.086 25762 2141 1 3 . 1 1 132 132 GLU HA H 132 4.250 4.250 4.437 -0.187 25762 2142 1 3 . 1 1 132 132 GLU C C 132 176.354 176.354 175.892 0.462 25762 2143 1 3 . 1 1 132 132 GLU CA C 132 56.537 56.537 56.532 0.005 25762 2144 1 3 . 1 1 132 132 GLU CB C 132 30.614 30.614 30.371 0.243 25762 2145 1 3 . 1 1 132 132 GLU H H 132 8.490 8.490 8.850 -0.360 25762 2146 1 3 . 1 1 133 133 LYS N N 133 123.918 123.918 119.597 4.321 25762 2147 1 3 . 1 1 133 133 LYS HA H 133 4.280 4.280 4.308 -0.028 25762 2148 1 3 . 1 1 133 133 LYS C C 133 176.232 176.232 174.788 1.444 25762 2149 1 3 . 1 1 133 133 LYS CA C 133 56.311 56.311 56.061 0.250 25762 2150 1 3 . 1 1 133 133 LYS CB C 133 33.137 33.137 34.185 -1.048 25762 2151 1 3 . 1 1 133 133 LYS H H 133 8.373 8.373 7.450 0.923 25762 2152 1 3 . 1 1 134 134 MET N N 134 122.994 122.994 124.125 -1.131 25762 2153 1 3 . 1 1 134 134 MET HA H 134 4.480 4.480 4.536 -0.056 25762 2154 1 3 . 1 1 134 134 MET C C 134 175.946 175.946 176.402 -0.456 25762 2155 1 3 . 1 1 134 134 MET CA C 134 55.563 55.563 56.076 -0.513 25762 2156 1 3 . 1 1 134 134 MET CB C 134 32.010 32.010 33.219 -1.209 25762 2157 1 3 . 1 1 134 134 MET H H 134 8.436 8.436 8.522 -0.086 25762 2158 1 3 . 1 1 135 135 LEU N N 135 124.454 124.454 124.349 0.105 25762 2159 1 3 . 1 1 135 135 LEU HA H 135 4.380 4.380 4.271 0.109 25762 2160 1 3 . 1 1 135 135 LEU C C 135 176.158 176.158 177.449 -1.291 25762 2161 1 3 . 1 1 135 135 LEU CA C 135 55.225 55.225 55.985 -0.760 25762 2162 1 3 . 1 1 135 135 LEU CB C 135 42.654 42.654 41.014 1.640 25762 2163 1 3 . 1 1 135 135 LEU H H 135 8.285 8.285 8.436 -0.151 25762 2164 1 4 . 1 1 2 2 LYS N N 2 121.740 121.740 121.013 0.727 25762 2165 1 4 . 1 1 2 2 LYS CA C 2 56.298 56.298 56.711 -0.413 25762 2166 1 4 . 1 1 2 2 LYS CB C 2 33.384 33.384 32.646 0.738 25762 2167 1 4 . 1 1 2 2 LYS H H 2 8.229 8.229 7.980 0.249 25762 2168 1 4 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.530 -0.130 25762 2169 1 4 . 1 1 6 6 PRO C C 6 176.964 176.964 176.353 0.611 25762 2170 1 4 . 1 1 6 6 PRO CA C 6 63.200 63.200 62.810 0.390 25762 2171 1 4 . 1 1 6 6 PRO CB C 6 32.100 32.100 32.533 -0.433 25762 2172 1 4 . 1 1 7 7 GLU N N 7 122.285 122.285 120.189 2.096 25762 2173 1 4 . 1 1 7 7 GLU HA H 7 4.260 4.260 4.375 -0.115 25762 2174 1 4 . 1 1 7 7 GLU C C 7 176.226 176.226 175.957 0.269 25762 2175 1 4 . 1 1 7 7 GLU CA C 7 56.493 56.493 55.763 0.730 25762 2176 1 4 . 1 1 7 7 GLU CB C 7 30.610 30.610 30.171 0.439 25762 2177 1 4 . 1 1 7 7 GLU H H 7 8.551 8.551 8.476 0.075 25762 2178 1 4 . 1 1 8 8 LYS N N 8 122.572 122.572 126.198 -3.626 25762 2179 1 4 . 1 1 8 8 LYS HA H 8 4.310 4.310 4.306 0.004 25762 2180 1 4 . 1 1 8 8 LYS C C 8 176.541 176.541 176.391 0.150 25762 2181 1 4 . 1 1 8 8 LYS CA C 8 56.440 56.440 56.175 0.265 25762 2182 1 4 . 1 1 8 8 LYS CB C 8 33.195 33.195 32.700 0.495 25762 2183 1 4 . 1 1 8 8 LYS H H 8 8.346 8.346 8.658 -0.312 25762 2184 1 4 . 1 1 9 9 LYS N N 9 123.843 123.843 127.102 -3.259 25762 2185 1 4 . 1 1 9 9 LYS HA H 9 4.330 4.330 4.078 0.252 25762 2186 1 4 . 1 1 9 9 LYS C C 9 176.390 176.390 175.796 0.594 25762 2187 1 4 . 1 1 9 9 LYS CA C 9 56.537 56.537 56.975 -0.438 25762 2188 1 4 . 1 1 9 9 LYS CB C 9 33.160 33.160 32.769 0.391 25762 2189 1 4 . 1 1 9 9 LYS H H 9 8.505 8.505 8.659 -0.154 25762 2190 1 4 . 1 1 10 10 VAL N N 10 123.043 123.043 122.529 0.514 25762 2191 1 4 . 1 1 10 10 VAL HA H 10 4.080 4.080 4.183 -0.103 25762 2192 1 4 . 1 1 10 10 VAL C C 10 175.887 175.887 174.840 1.047 25762 2193 1 4 . 1 1 10 10 VAL CA C 10 62.159 62.159 62.418 -0.259 25762 2194 1 4 . 1 1 10 10 VAL CB C 10 33.080 33.080 31.834 1.246 25762 2195 1 4 . 1 1 10 10 VAL H H 10 8.206 8.206 8.175 0.031 25762 2196 1 4 . 1 1 11 11 LYS N N 11 126.952 126.952 125.609 1.343 25762 2197 1 4 . 1 1 11 11 LYS HA H 11 4.320 4.320 4.456 -0.136 25762 2198 1 4 . 1 1 11 11 LYS C C 11 176.257 176.257 175.043 1.214 25762 2199 1 4 . 1 1 11 11 LYS CA C 11 56.085 56.085 55.347 0.738 25762 2200 1 4 . 1 1 11 11 LYS CB C 11 33.320 33.320 33.862 -0.542 25762 2201 1 4 . 1 1 11 11 LYS H H 11 8.433 8.433 8.152 0.281 25762 2202 1 4 . 1 1 12 12 LYS N N 12 125.023 125.023 120.039 4.984 25762 2203 1 4 . 1 1 12 12 LYS HA H 12 4.260 4.260 4.317 -0.057 25762 2204 1 4 . 1 1 12 12 LYS C C 12 176.306 176.306 176.636 -0.330 25762 2205 1 4 . 1 1 12 12 LYS CA C 12 56.605 56.605 57.395 -0.790 25762 2206 1 4 . 1 1 12 12 LYS CB C 12 33.443 33.443 32.920 0.523 25762 2207 1 4 . 1 1 12 12 LYS H H 12 8.446 8.446 8.472 -0.026 25762 2208 1 4 . 1 1 13 13 SER N N 13 117.836 117.836 113.308 4.528 25762 2209 1 4 . 1 1 13 13 SER HA H 13 4.460 4.460 4.503 -0.043 25762 2210 1 4 . 1 1 13 13 SER C C 13 174.456 174.456 172.036 2.420 25762 2211 1 4 . 1 1 13 13 SER CA C 13 57.950 57.950 57.862 0.088 25762 2212 1 4 . 1 1 13 13 SER CB C 13 64.048 64.048 64.187 -0.139 25762 2213 1 4 . 1 1 13 13 SER H H 13 8.353 8.353 7.575 0.778 25762 2214 1 4 . 1 1 14 14 ASP N N 14 124.256 124.256 122.817 1.439 25762 2215 1 4 . 1 1 14 14 ASP HA H 14 4.570 4.570 4.726 -0.156 25762 2216 1 4 . 1 1 14 14 ASP C C 14 175.559 175.559 175.666 -0.107 25762 2217 1 4 . 1 1 14 14 ASP CA C 14 54.045 54.045 53.513 0.532 25762 2218 1 4 . 1 1 14 14 ASP CB C 14 41.037 41.037 41.341 -0.304 25762 2219 1 4 . 1 1 14 14 ASP H H 14 8.479 8.479 8.369 0.110 25762 2220 1 4 . 1 1 15 15 CYS N N 15 117.954 117.954 119.290 -1.336 25762 2221 1 4 . 1 1 15 15 CYS HA H 15 4.650 4.650 4.146 0.504 25762 2222 1 4 . 1 1 15 15 CYS C C 15 175.354 175.354 174.663 0.691 25762 2223 1 4 . 1 1 15 15 CYS CA C 15 55.413 55.413 59.181 -3.768 25762 2224 1 4 . 1 1 15 15 CYS CB C 15 43.497 43.497 25.542 17.955 25762 2225 1 4 . 1 1 15 15 CYS H H 15 7.901 7.901 8.790 -0.889 25762 2226 1 4 . 1 1 16 16 GLY N N 16 112.694 112.694 109.988 2.706 25762 2227 1 4 . 1 1 16 16 GLY C C 16 172.300 172.300 172.831 -0.531 25762 2228 1 4 . 1 1 16 16 GLY CA C 16 44.224 44.224 44.454 -0.230 25762 2229 1 4 . 1 1 16 16 GLY H H 16 8.447 8.447 8.460 -0.013 25762 2230 1 4 . 1 1 17 17 GLU N N 17 118.500 118.500 119.917 -1.417 25762 2231 1 4 . 1 1 17 17 GLU HA H 17 4.090 4.090 4.188 -0.098 25762 2232 1 4 . 1 1 17 17 GLU C C 17 177.571 177.571 176.911 0.660 25762 2233 1 4 . 1 1 17 17 GLU CA C 17 55.900 55.900 55.500 0.400 25762 2234 1 4 . 1 1 17 17 GLU CB C 17 30.500 30.500 30.883 -0.383 25762 2235 1 4 . 1 1 17 17 GLU H H 17 8.250 8.250 8.507 -0.257 25762 2236 1 4 . 1 1 18 18 TRP N N 18 122.718 122.718 120.751 1.967 25762 2237 1 4 . 1 1 18 18 TRP HA H 18 4.040 4.040 4.615 -0.575 25762 2238 1 4 . 1 1 18 18 TRP C C 18 176.310 176.310 176.901 -0.591 25762 2239 1 4 . 1 1 18 18 TRP CA C 18 58.515 58.515 57.855 0.660 25762 2240 1 4 . 1 1 18 18 TRP CB C 18 30.365 30.365 29.414 0.951 25762 2241 1 4 . 1 1 18 18 TRP H H 18 8.319 8.319 8.397 -0.078 25762 2242 1 4 . 1 1 19 19 GLN N N 19 123.305 123.305 122.851 0.454 25762 2243 1 4 . 1 1 19 19 GLN HA H 19 4.530 4.530 4.768 -0.238 25762 2244 1 4 . 1 1 19 19 GLN C C 19 175.571 175.571 174.783 0.788 25762 2245 1 4 . 1 1 19 19 GLN CA C 19 54.186 54.186 54.330 -0.144 25762 2246 1 4 . 1 1 19 19 GLN CB C 19 29.897 29.897 30.084 -0.187 25762 2247 1 4 . 1 1 19 19 GLN H H 19 9.140 9.140 8.513 0.627 25762 2248 1 4 . 1 1 20 20 TRP N N 20 125.311 125.311 127.217 -1.906 25762 2249 1 4 . 1 1 20 20 TRP HA H 20 5.290 5.290 5.235 0.055 25762 2250 1 4 . 1 1 20 20 TRP C C 20 177.596 177.596 176.816 0.780 25762 2251 1 4 . 1 1 20 20 TRP CA C 20 56.651 56.651 56.558 0.093 25762 2252 1 4 . 1 1 20 20 TRP CB C 20 32.720 32.720 30.992 1.728 25762 2253 1 4 . 1 1 20 20 TRP H H 20 8.783 8.783 8.843 -0.060 25762 2254 1 4 . 1 1 21 21 SER N N 21 120.041 120.041 116.696 3.345 25762 2255 1 4 . 1 1 21 21 SER HA H 21 4.440 4.440 4.774 -0.334 25762 2256 1 4 . 1 1 21 21 SER C C 21 173.795 173.795 173.190 0.605 25762 2257 1 4 . 1 1 21 21 SER CA C 21 57.292 57.292 57.314 -0.022 25762 2258 1 4 . 1 1 21 21 SER CB C 21 65.435 65.435 64.544 0.891 25762 2259 1 4 . 1 1 21 21 SER H H 21 9.173 9.173 9.078 0.095 25762 2260 1 4 . 1 1 22 22 VAL N N 22 115.336 115.336 117.110 -1.774 25762 2261 1 4 . 1 1 22 22 VAL HA H 22 4.130 4.130 4.346 -0.216 25762 2262 1 4 . 1 1 22 22 VAL C C 22 175.183 175.183 175.938 -0.755 25762 2263 1 4 . 1 1 22 22 VAL CA C 22 62.008 62.008 61.146 0.862 25762 2264 1 4 . 1 1 22 22 VAL CB C 22 32.859 32.859 33.184 -0.325 25762 2265 1 4 . 1 1 22 22 VAL H H 22 8.099 8.099 8.183 -0.084 25762 2266 1 4 . 1 1 23 23 CYS N N 23 122.154 122.154 123.065 -0.911 25762 2267 1 4 . 1 1 23 23 CYS HA H 23 4.330 4.330 4.864 -0.534 25762 2268 1 4 . 1 1 23 23 CYS C C 23 173.335 173.335 175.188 -1.853 25762 2269 1 4 . 1 1 23 23 CYS CA C 23 56.598 56.598 58.692 -2.094 25762 2270 1 4 . 1 1 23 23 CYS CB C 23 42.166 42.166 25.909 16.257 25762 2271 1 4 . 1 1 23 23 CYS H H 23 8.433 8.433 8.417 0.016 25762 2272 1 4 . 1 1 24 24 VAL N N 24 133.008 133.008 127.210 5.798 25762 2273 1 4 . 1 1 24 24 VAL HA H 24 4.260 4.260 4.622 -0.362 25762 2274 1 4 . 1 1 24 24 VAL CA C 24 59.409 59.409 58.587 0.823 25762 2275 1 4 . 1 1 24 24 VAL CB C 24 33.572 33.572 34.163 -0.591 25762 2276 1 4 . 1 1 24 24 VAL H H 24 8.790 8.790 8.940 -0.150 25762 2277 1 4 . 1 1 25 25 PRO HA H 25 4.380 4.380 4.543 -0.163 25762 2278 1 4 . 1 1 25 25 PRO C C 25 176.853 176.853 176.653 0.200 25762 2279 1 4 . 1 1 25 25 PRO CA C 25 62.700 62.700 62.835 -0.135 25762 2280 1 4 . 1 1 25 25 PRO CB C 25 31.600 31.600 32.725 -1.125 25762 2281 1 4 . 1 1 26 26 THR N N 26 121.729 121.729 113.835 7.894 25762 2282 1 4 . 1 1 26 26 THR HA H 26 3.970 3.970 4.492 -0.522 25762 2283 1 4 . 1 1 26 26 THR C C 26 174.891 174.891 173.877 1.014 25762 2284 1 4 . 1 1 26 26 THR CA C 26 65.598 65.598 62.942 2.656 25762 2285 1 4 . 1 1 26 26 THR CB C 26 69.136 69.136 69.642 -0.506 25762 2286 1 4 . 1 1 26 26 THR H H 26 9.199 9.199 8.242 0.957 25762 2287 1 4 . 1 1 27 27 SER N N 27 115.495 115.495 115.811 -0.316 25762 2288 1 4 . 1 1 27 27 SER HA H 27 4.590 4.590 4.620 -0.030 25762 2289 1 4 . 1 1 27 27 SER C C 27 173.700 173.700 174.583 -0.883 25762 2290 1 4 . 1 1 27 27 SER CA C 27 57.326 57.326 57.031 0.295 25762 2291 1 4 . 1 1 27 27 SER CB C 27 64.749 64.749 64.675 0.074 25762 2292 1 4 . 1 1 27 27 SER H H 27 8.676 8.676 7.553 1.123 25762 2293 1 4 . 1 1 28 28 GLY N N 28 111.492 111.492 113.730 -2.238 25762 2294 1 4 . 1 1 28 28 GLY C C 28 173.803 173.803 175.369 -1.566 25762 2295 1 4 . 1 1 28 28 GLY CA C 28 45.965 45.965 46.865 -0.900 25762 2296 1 4 . 1 1 28 28 GLY H H 28 8.482 8.482 8.853 -0.371 25762 2297 1 4 . 1 1 29 29 ASP N N 29 118.893 118.893 119.903 -1.010 25762 2298 1 4 . 1 1 29 29 ASP HA H 29 4.750 4.750 4.519 0.231 25762 2299 1 4 . 1 1 29 29 ASP C C 29 175.806 175.806 175.227 0.579 25762 2300 1 4 . 1 1 29 29 ASP CA C 29 53.476 53.476 55.390 -1.914 25762 2301 1 4 . 1 1 29 29 ASP CB C 29 42.140 42.140 41.596 0.544 25762 2302 1 4 . 1 1 29 29 ASP H H 29 8.412 8.412 8.222 0.190 25762 2303 1 4 . 1 1 30 30 CYS N N 30 113.937 113.937 116.747 -2.810 25762 2304 1 4 . 1 1 30 30 CYS HA H 30 3.840 3.840 4.459 -0.619 25762 2305 1 4 . 1 1 30 30 CYS C C 30 170.767 170.767 172.833 -2.066 25762 2306 1 4 . 1 1 30 30 CYS CA C 30 56.060 56.060 59.379 -3.319 25762 2307 1 4 . 1 1 30 30 CYS CB C 30 47.900 47.900 26.542 21.358 25762 2308 1 4 . 1 1 30 30 CYS H H 30 7.983 7.983 7.466 0.517 25762 2309 1 4 . 1 1 31 31 GLY N N 31 110.972 110.972 113.068 -2.096 25762 2310 1 4 . 1 1 31 31 GLY C C 31 173.804 173.804 172.193 1.611 25762 2311 1 4 . 1 1 31 31 GLY CA C 31 44.043 44.043 45.606 -1.563 25762 2312 1 4 . 1 1 31 31 GLY H H 31 9.376 9.376 8.113 1.263 25762 2313 1 4 . 1 1 32 32 LEU N N 32 123.077 123.077 119.306 3.771 25762 2314 1 4 . 1 1 32 32 LEU HA H 32 4.440 4.440 4.973 -0.533 25762 2315 1 4 . 1 1 32 32 LEU C C 32 177.802 177.802 176.268 1.534 25762 2316 1 4 . 1 1 32 32 LEU CA C 32 55.904 55.904 54.389 1.515 25762 2317 1 4 . 1 1 32 32 LEU CB C 32 42.825 42.825 42.353 0.472 25762 2318 1 4 . 1 1 32 32 LEU H H 32 8.493 8.493 8.359 0.134 25762 2319 1 4 . 1 1 33 33 GLY N N 33 110.436 110.436 107.158 3.278 25762 2320 1 4 . 1 1 33 33 GLY C C 33 174.279 174.279 173.446 0.833 25762 2321 1 4 . 1 1 33 33 GLY CA C 33 45.930 45.930 44.174 1.756 25762 2322 1 4 . 1 1 33 33 GLY H H 33 8.658 8.658 8.952 -0.294 25762 2323 1 4 . 1 1 34 34 THR N N 34 113.118 113.118 115.454 -2.336 25762 2324 1 4 . 1 1 34 34 THR HA H 34 5.166 5.166 5.034 0.132 25762 2325 1 4 . 1 1 34 34 THR C C 34 173.246 173.246 172.745 0.501 25762 2326 1 4 . 1 1 34 34 THR CA C 34 60.776 60.776 61.715 -0.939 25762 2327 1 4 . 1 1 34 34 THR CB C 34 72.892 72.892 72.491 0.401 25762 2328 1 4 . 1 1 34 34 THR H H 34 8.040 8.040 8.172 -0.132 25762 2329 1 4 . 1 1 35 35 ARG N N 35 120.371 120.371 122.779 -2.408 25762 2330 1 4 . 1 1 35 35 ARG HA H 35 4.980 4.980 4.831 0.149 25762 2331 1 4 . 1 1 35 35 ARG C C 35 173.802 173.802 173.684 0.118 25762 2332 1 4 . 1 1 35 35 ARG CA C 35 54.100 54.100 54.904 -0.804 25762 2333 1 4 . 1 1 35 35 ARG CB C 35 33.790 33.790 34.317 -0.527 25762 2334 1 4 . 1 1 35 35 ARG H H 35 9.104 9.104 9.287 -0.183 25762 2335 1 4 . 1 1 36 36 GLU N N 36 122.259 122.259 124.200 -1.941 25762 2336 1 4 . 1 1 36 36 GLU HA H 36 5.160 5.160 4.946 0.214 25762 2337 1 4 . 1 1 36 36 GLU C C 36 175.960 175.960 175.166 0.794 25762 2338 1 4 . 1 1 36 36 GLU CA C 36 55.209 55.209 55.400 -0.191 25762 2339 1 4 . 1 1 36 36 GLU CB C 36 32.652 32.652 33.591 -0.939 25762 2340 1 4 . 1 1 36 36 GLU H H 36 8.750 8.750 8.810 -0.060 25762 2341 1 4 . 1 1 37 37 GLY N N 37 116.895 116.895 110.746 6.149 25762 2342 1 4 . 1 1 37 37 GLY C C 37 173.097 173.097 172.118 0.979 25762 2343 1 4 . 1 1 37 37 GLY CA C 37 44.195 44.195 43.731 0.464 25762 2344 1 4 . 1 1 37 37 GLY H H 37 9.479 9.479 9.030 0.449 25762 2345 1 4 . 1 1 38 38 THR N N 38 114.848 114.848 112.647 2.201 25762 2346 1 4 . 1 1 38 38 THR HA H 38 5.540 5.540 4.917 0.623 25762 2347 1 4 . 1 1 38 38 THR C C 38 173.004 173.004 172.587 0.417 25762 2348 1 4 . 1 1 38 38 THR CA C 38 59.751 59.751 60.204 -0.453 25762 2349 1 4 . 1 1 38 38 THR CB C 38 72.666 72.666 72.418 0.248 25762 2350 1 4 . 1 1 38 38 THR H H 38 8.485 8.485 8.020 0.465 25762 2351 1 4 . 1 1 39 39 ARG N N 39 119.072 119.072 122.490 -3.418 25762 2352 1 4 . 1 1 39 39 ARG HA H 39 4.640 4.640 4.401 0.239 25762 2353 1 4 . 1 1 39 39 ARG C C 39 174.649 174.649 174.079 0.570 25762 2354 1 4 . 1 1 39 39 ARG CA C 39 54.587 54.587 54.049 0.538 25762 2355 1 4 . 1 1 39 39 ARG CB C 39 33.285 33.285 33.010 0.275 25762 2356 1 4 . 1 1 39 39 ARG H H 39 8.231 8.231 8.858 -0.627 25762 2357 1 4 . 1 1 40 40 THR N N 40 111.009 111.009 116.022 -5.013 25762 2358 1 4 . 1 1 40 40 THR HA H 40 4.440 4.440 4.642 -0.202 25762 2359 1 4 . 1 1 40 40 THR C C 40 173.890 173.890 172.799 1.091 25762 2360 1 4 . 1 1 40 40 THR CA C 40 60.431 60.431 60.429 0.002 25762 2361 1 4 . 1 1 40 40 THR CB C 40 71.163 71.163 72.187 -1.024 25762 2362 1 4 . 1 1 40 40 THR H H 40 8.097 8.097 7.799 0.298 25762 2363 1 4 . 1 1 41 41 GLY N N 41 110.094 110.094 108.388 1.706 25762 2364 1 4 . 1 1 41 41 GLY C C 41 174.489 174.489 173.676 0.813 25762 2365 1 4 . 1 1 41 41 GLY CA C 41 45.487 45.487 43.963 1.524 25762 2366 1 4 . 1 1 41 41 GLY H H 41 8.146 8.146 8.033 0.113 25762 2367 1 4 . 1 1 42 42 ALA N N 42 130.030 130.030 121.145 8.885 25762 2368 1 4 . 1 1 42 42 ALA HA H 42 4.150 4.150 4.358 -0.208 25762 2369 1 4 . 1 1 42 42 ALA C C 42 179.063 179.063 178.669 0.394 25762 2370 1 4 . 1 1 42 42 ALA CA C 42 54.737 54.737 53.439 1.298 25762 2371 1 4 . 1 1 42 42 ALA CB C 42 19.258 19.258 19.042 0.216 25762 2372 1 4 . 1 1 42 42 ALA H H 42 8.844 8.844 8.256 0.588 25762 2373 1 4 . 1 1 43 43 GLU N N 43 116.721 116.721 116.815 -0.094 25762 2374 1 4 . 1 1 43 43 GLU HA H 43 4.350 4.350 4.343 0.007 25762 2375 1 4 . 1 1 43 43 GLU C C 43 175.825 175.825 175.522 0.303 25762 2376 1 4 . 1 1 43 43 GLU CA C 43 54.964 54.964 56.109 -1.145 25762 2377 1 4 . 1 1 43 43 GLU CB C 43 29.372 29.372 29.697 -0.325 25762 2378 1 4 . 1 1 43 43 GLU H H 43 9.070 9.070 8.401 0.669 25762 2379 1 4 . 1 1 44 44 CYS N N 44 120.031 120.031 117.159 2.872 25762 2380 1 4 . 1 1 44 44 CYS C C 44 174.887 174.887 175.497 -0.610 25762 2381 1 4 . 1 1 44 44 CYS CA C 44 55.287 55.287 59.249 -3.962 25762 2382 1 4 . 1 1 44 44 CYS CB C 44 41.215 41.215 24.996 16.219 25762 2383 1 4 . 1 1 44 44 CYS H H 44 7.427 7.427 7.467 -0.040 25762 2384 1 4 . 1 1 45 45 LYS N N 45 127.192 127.192 118.709 8.483 25762 2385 1 4 . 1 1 45 45 LYS HA H 45 4.220 4.220 4.109 0.111 25762 2386 1 4 . 1 1 45 45 LYS C C 45 176.464 176.464 176.217 0.247 25762 2387 1 4 . 1 1 45 45 LYS CA C 45 57.793 57.793 55.861 1.932 25762 2388 1 4 . 1 1 45 45 LYS CB C 45 32.251 32.251 31.515 0.736 25762 2389 1 4 . 1 1 45 45 LYS H H 45 8.655 8.655 8.248 0.407 25762 2390 1 4 . 1 1 46 46 GLN N N 46 119.454 119.454 115.315 4.139 25762 2391 1 4 . 1 1 46 46 GLN HA H 46 4.690 4.690 4.006 0.684 25762 2392 1 4 . 1 1 46 46 GLN C C 46 175.524 175.524 174.642 0.882 25762 2393 1 4 . 1 1 46 46 GLN CA C 46 55.759 55.759 56.466 -0.707 25762 2394 1 4 . 1 1 46 46 GLN CB C 46 29.672 29.672 26.894 2.778 25762 2395 1 4 . 1 1 46 46 GLN H H 46 7.831 7.831 7.996 -0.165 25762 2396 1 4 . 1 1 47 47 THR N N 47 116.122 116.122 118.380 -2.258 25762 2397 1 4 . 1 1 47 47 THR HA H 47 4.701 4.701 4.478 0.223 25762 2398 1 4 . 1 1 47 47 THR C C 47 173.458 173.458 173.197 0.261 25762 2399 1 4 . 1 1 47 47 THR CA C 47 61.693 61.693 62.986 -1.293 25762 2400 1 4 . 1 1 47 47 THR CB C 47 69.773 69.773 68.790 0.983 25762 2401 1 4 . 1 1 47 47 THR H H 47 8.633 8.633 8.094 0.539 25762 2402 1 4 . 1 1 48 48 MET N N 48 121.378 121.378 125.415 -4.037 25762 2403 1 4 . 1 1 48 48 MET HA H 48 5.610 5.610 4.783 0.827 25762 2404 1 4 . 1 1 48 48 MET C C 48 174.850 174.850 175.084 -0.234 25762 2405 1 4 . 1 1 48 48 MET CA C 48 55.321 55.321 54.494 0.827 25762 2406 1 4 . 1 1 48 48 MET CB C 48 36.529 36.529 37.083 -0.554 25762 2407 1 4 . 1 1 48 48 MET H H 48 7.838 7.838 8.523 -0.685 25762 2408 1 4 . 1 1 49 49 LYS N N 49 123.748 123.748 122.554 1.194 25762 2409 1 4 . 1 1 49 49 LYS HA H 49 4.560 4.560 4.853 -0.292 25762 2410 1 4 . 1 1 49 49 LYS C C 49 173.773 173.773 174.498 -0.725 25762 2411 1 4 . 1 1 49 49 LYS CA C 49 55.899 55.899 55.683 0.216 25762 2412 1 4 . 1 1 49 49 LYS CB C 49 36.032 36.032 36.045 -0.013 25762 2413 1 4 . 1 1 49 49 LYS H H 49 8.539 8.539 9.102 -0.563 25762 2414 1 4 . 1 1 50 50 THR N N 50 117.276 117.276 120.846 -3.570 25762 2415 1 4 . 1 1 50 50 THR HA H 50 5.330 5.330 5.163 0.167 25762 2416 1 4 . 1 1 50 50 THR C C 50 174.047 174.047 173.605 0.442 25762 2417 1 4 . 1 1 50 50 THR CA C 50 61.169 61.169 61.434 -0.265 25762 2418 1 4 . 1 1 50 50 THR CB C 50 71.019 71.019 70.849 0.170 25762 2419 1 4 . 1 1 50 50 THR H H 50 8.416 8.416 8.247 0.169 25762 2420 1 4 . 1 1 51 51 GLN N N 51 123.996 123.996 125.387 -1.391 25762 2421 1 4 . 1 1 51 51 GLN HA H 51 4.680 4.680 4.671 0.009 25762 2422 1 4 . 1 1 51 51 GLN C C 51 174.453 174.453 173.947 0.506 25762 2423 1 4 . 1 1 51 51 GLN CA C 51 54.079 54.079 54.201 -0.122 25762 2424 1 4 . 1 1 51 51 GLN CB C 51 34.352 34.352 32.496 1.856 25762 2425 1 4 . 1 1 51 51 GLN H H 51 9.034 9.034 9.311 -0.277 25762 2426 1 4 . 1 1 52 52 ARG N N 52 124.759 124.759 124.808 -0.049 25762 2427 1 4 . 1 1 52 52 ARG HA H 52 4.600 4.600 4.742 -0.142 25762 2428 1 4 . 1 1 52 52 ARG C C 52 174.978 174.978 175.567 -0.589 25762 2429 1 4 . 1 1 52 52 ARG CA C 52 56.600 56.600 55.163 1.437 25762 2430 1 4 . 1 1 52 52 ARG CB C 52 30.812 30.812 30.210 0.602 25762 2431 1 4 . 1 1 52 52 ARG H H 52 8.520 8.520 8.487 0.033 25762 2432 1 4 . 1 1 53 53 CYS N N 53 120.158 120.158 123.589 -3.431 25762 2433 1 4 . 1 1 53 53 CYS HA H 53 4.130 4.130 4.536 -0.406 25762 2434 1 4 . 1 1 53 53 CYS C C 53 170.755 170.755 173.879 -3.124 25762 2435 1 4 . 1 1 53 53 CYS CA C 53 54.574 54.574 58.004 -3.430 25762 2436 1 4 . 1 1 53 53 CYS CB C 53 47.178 47.178 29.281 17.897 25762 2437 1 4 . 1 1 53 53 CYS H H 53 8.167 8.167 8.629 -0.462 25762 2438 1 4 . 1 1 54 54 LYS N N 54 120.283 120.283 125.433 -5.150 25762 2439 1 4 . 1 1 54 54 LYS HA H 54 4.840 4.840 4.545 0.295 25762 2440 1 4 . 1 1 54 54 LYS C C 54 175.166 175.166 175.079 0.087 25762 2441 1 4 . 1 1 54 54 LYS CA C 54 55.611 55.611 55.373 0.238 25762 2442 1 4 . 1 1 54 54 LYS CB C 54 36.066 36.066 34.148 1.918 25762 2443 1 4 . 1 1 54 54 LYS H H 54 8.489 8.489 8.424 0.065 25762 2444 1 4 . 1 1 55 55 ILE N N 55 126.794 126.794 126.549 0.245 25762 2445 1 4 . 1 1 55 55 ILE HA H 55 4.600 4.600 4.300 0.300 25762 2446 1 4 . 1 1 55 55 ILE CA C 55 57.299 57.299 57.835 -0.536 25762 2447 1 4 . 1 1 55 55 ILE CB C 55 41.759 41.759 38.643 3.116 25762 2448 1 4 . 1 1 55 55 ILE H H 55 8.673 8.673 8.365 0.308 25762 2449 1 4 . 1 1 56 56 PRO HA H 56 4.360 4.360 4.221 0.139 25762 2450 1 4 . 1 1 56 56 PRO C C 56 176.748 176.748 176.491 0.257 25762 2451 1 4 . 1 1 56 56 PRO CA C 56 63.790 63.790 62.987 0.803 25762 2452 1 4 . 1 1 56 56 PRO CB C 56 32.200 32.200 31.590 0.610 25762 2453 1 4 . 1 1 57 57 CYS N N 57 121.411 121.411 125.401 -3.990 25762 2454 1 4 . 1 1 57 57 CYS HA H 57 4.160 4.160 4.215 -0.055 25762 2455 1 4 . 1 1 57 57 CYS C C 57 174.867 174.867 174.504 0.363 25762 2456 1 4 . 1 1 57 57 CYS CA C 57 54.490 54.490 57.212 -2.722 25762 2457 1 4 . 1 1 57 57 CYS CB C 57 43.090 43.090 24.872 18.218 25762 2458 1 4 . 1 1 57 57 CYS H H 57 8.782 8.782 8.248 0.534 25762 2459 1 4 . 1 1 58 58 ASN N N 58 120.918 120.918 121.372 -0.454 25762 2460 1 4 . 1 1 58 58 ASN HA H 58 4.620 4.620 4.414 0.206 25762 2461 1 4 . 1 1 58 58 ASN C C 58 175.129 175.129 174.199 0.930 25762 2462 1 4 . 1 1 58 58 ASN CA C 58 53.832 53.832 52.740 1.092 25762 2463 1 4 . 1 1 58 58 ASN CB C 58 38.634 38.634 38.912 -0.278 25762 2464 1 4 . 1 1 58 58 ASN H H 58 8.551 8.551 7.837 0.714 25762 2465 1 4 . 1 1 59 59 TRP N N 59 121.791 121.791 124.441 -2.650 25762 2466 1 4 . 1 1 59 59 TRP HA H 59 4.604 4.604 4.527 0.077 25762 2467 1 4 . 1 1 59 59 TRP C C 59 176.374 176.374 176.351 0.023 25762 2468 1 4 . 1 1 59 59 TRP CA C 59 57.605 57.605 57.343 0.262 25762 2469 1 4 . 1 1 59 59 TRP CB C 59 29.487 29.487 29.489 -0.002 25762 2470 1 4 . 1 1 59 59 TRP H H 59 8.010 8.010 8.162 -0.152 25762 2471 1 4 . 1 1 60 60 LYS N N 60 122.289 122.289 124.416 -2.127 25762 2472 1 4 . 1 1 60 60 LYS HA H 60 4.070 4.070 4.680 -0.610 25762 2473 1 4 . 1 1 60 60 LYS C C 60 176.685 176.685 175.111 1.574 25762 2474 1 4 . 1 1 60 60 LYS CA C 60 56.926 56.926 55.586 1.340 25762 2475 1 4 . 1 1 60 60 LYS CB C 60 32.877 32.877 34.114 -1.238 25762 2476 1 4 . 1 1 60 60 LYS H H 60 7.751 7.751 8.515 -0.764 25762 2477 1 4 . 1 1 61 61 LYS N N 61 121.691 121.691 125.790 -4.099 25762 2478 1 4 . 1 1 61 61 LYS HA H 61 4.160 4.160 4.773 -0.613 25762 2479 1 4 . 1 1 61 61 LYS C C 61 176.731 176.731 175.369 1.362 25762 2480 1 4 . 1 1 61 61 LYS CA C 61 56.804 56.804 56.711 0.093 25762 2481 1 4 . 1 1 61 61 LYS CB C 61 32.910 32.910 34.524 -1.614 25762 2482 1 4 . 1 1 61 61 LYS H H 61 7.963 7.963 8.522 -0.559 25762 2483 1 4 . 1 1 62 62 GLN N N 62 120.611 120.611 123.338 -2.727 25762 2484 1 4 . 1 1 62 62 GLN HA H 62 4.240 4.240 4.561 -0.321 25762 2485 1 4 . 1 1 62 62 GLN C C 62 175.696 175.696 175.844 -0.148 25762 2486 1 4 . 1 1 62 62 GLN CA C 62 56.416 56.416 55.512 0.904 25762 2487 1 4 . 1 1 62 62 GLN CB C 62 29.722 29.722 31.199 -1.477 25762 2488 1 4 . 1 1 62 62 GLN H H 62 8.177 8.177 10.014 -1.837 25762 2489 1 4 . 1 1 63 63 PHE N N 63 119.964 119.964 121.735 -1.771 25762 2490 1 4 . 1 1 63 63 PHE HA H 63 4.750 4.750 4.268 0.482 25762 2491 1 4 . 1 1 63 63 PHE C C 63 175.958 175.958 174.923 1.035 25762 2492 1 4 . 1 1 63 63 PHE CA C 63 57.339 57.339 58.943 -1.604 25762 2493 1 4 . 1 1 63 63 PHE CB C 63 39.813 39.813 38.678 1.135 25762 2494 1 4 . 1 1 63 63 PHE H H 63 7.990 7.990 8.909 -0.919 25762 2495 1 4 . 1 1 64 64 GLY N N 64 110.674 110.674 111.857 -1.183 25762 2496 1 4 . 1 1 64 64 GLY C C 64 174.297 174.297 172.905 1.392 25762 2497 1 4 . 1 1 64 64 GLY CA C 64 45.306 45.306 44.851 0.455 25762 2498 1 4 . 1 1 64 64 GLY H H 64 8.427 8.427 8.410 0.017 25762 2499 1 4 . 1 1 65 65 ALA N N 65 124.213 124.213 120.996 3.217 25762 2500 1 4 . 1 1 65 65 ALA HA H 65 4.260 4.260 4.351 -0.091 25762 2501 1 4 . 1 1 65 65 ALA C C 65 178.028 178.028 177.888 0.140 25762 2502 1 4 . 1 1 65 65 ALA CA C 65 53.400 53.400 52.418 0.982 25762 2503 1 4 . 1 1 65 65 ALA CB C 65 19.372 19.372 19.568 -0.196 25762 2504 1 4 . 1 1 65 65 ALA H H 65 8.316 8.316 7.895 0.421 25762 2505 1 4 . 1 1 66 66 GLU N N 66 117.489 117.489 118.508 -1.019 25762 2506 1 4 . 1 1 66 66 GLU HA H 66 4.240 4.240 4.337 -0.097 25762 2507 1 4 . 1 1 66 66 GLU C C 66 175.127 175.127 176.373 -1.246 25762 2508 1 4 . 1 1 66 66 GLU CA C 66 57.205 57.205 56.834 0.371 25762 2509 1 4 . 1 1 66 66 GLU CB C 66 29.924 29.924 29.942 -0.018 25762 2510 1 4 . 1 1 66 66 GLU H H 66 8.697 8.697 8.616 0.081 25762 2511 1 4 . 1 1 67 67 CYS N N 67 119.305 119.305 119.518 -0.213 25762 2512 1 4 . 1 1 67 67 CYS HA H 67 4.310 4.310 4.446 -0.136 25762 2513 1 4 . 1 1 67 67 CYS C C 67 172.436 172.436 173.192 -0.756 25762 2514 1 4 . 1 1 67 67 CYS CA C 67 53.300 53.300 57.253 -3.953 25762 2515 1 4 . 1 1 67 67 CYS CB C 67 41.122 41.122 29.830 11.292 25762 2516 1 4 . 1 1 67 67 CYS H H 67 7.758 7.758 7.522 0.236 25762 2517 1 4 . 1 1 68 68 LYS N N 68 123.248 123.248 121.631 1.617 25762 2518 1 4 . 1 1 68 68 LYS HA H 68 4.680 4.680 4.578 0.102 25762 2519 1 4 . 1 1 68 68 LYS C C 68 174.804 174.804 174.368 0.436 25762 2520 1 4 . 1 1 68 68 LYS CA C 68 54.009 54.009 55.666 -1.657 25762 2521 1 4 . 1 1 68 68 LYS CB C 68 33.651 33.651 34.465 -0.813 25762 2522 1 4 . 1 1 68 68 LYS H H 68 8.174 8.174 8.366 -0.192 25762 2523 1 4 . 1 1 69 69 TYR N N 69 122.635 122.635 122.463 0.172 25762 2524 1 4 . 1 1 69 69 TYR HA H 69 4.410 4.410 4.707 -0.297 25762 2525 1 4 . 1 1 69 69 TYR C C 69 174.602 174.602 174.801 -0.199 25762 2526 1 4 . 1 1 69 69 TYR CA C 69 58.204 58.204 56.897 1.307 25762 2527 1 4 . 1 1 69 69 TYR CB C 69 42.100 42.100 41.437 0.663 25762 2528 1 4 . 1 1 69 69 TYR H H 69 8.769 8.769 8.466 0.303 25762 2529 1 4 . 1 1 70 70 GLN N N 70 120.984 120.984 121.880 -0.896 25762 2530 1 4 . 1 1 70 70 GLN HA H 70 4.590 4.590 4.567 0.023 25762 2531 1 4 . 1 1 70 70 GLN C C 70 175.634 175.634 174.318 1.316 25762 2532 1 4 . 1 1 70 70 GLN CA C 70 54.108 54.108 54.200 -0.092 25762 2533 1 4 . 1 1 70 70 GLN CB C 70 29.900 29.900 31.363 -1.464 25762 2534 1 4 . 1 1 70 70 GLN H H 70 8.573 8.573 8.519 0.054 25762 2535 1 4 . 1 1 71 71 PHE N N 71 127.389 127.389 123.778 3.611 25762 2536 1 4 . 1 1 71 71 PHE HA H 71 4.970 4.970 4.931 0.039 25762 2537 1 4 . 1 1 71 71 PHE C C 71 177.149 177.149 176.156 0.993 25762 2538 1 4 . 1 1 71 71 PHE CA C 71 58.976 58.976 57.055 1.921 25762 2539 1 4 . 1 1 71 71 PHE CB C 71 40.837 40.837 40.471 0.366 25762 2540 1 4 . 1 1 71 71 PHE H H 71 9.255 9.255 8.568 0.687 25762 2541 1 4 . 1 1 72 72 GLN N N 72 121.514 121.514 122.235 -0.721 25762 2542 1 4 . 1 1 72 72 GLN HA H 72 4.440 4.440 4.431 0.009 25762 2543 1 4 . 1 1 72 72 GLN C C 72 176.721 176.721 175.864 0.857 25762 2544 1 4 . 1 1 72 72 GLN CA C 72 54.707 54.707 55.343 -0.636 25762 2545 1 4 . 1 1 72 72 GLN CB C 72 29.983 29.983 30.499 -0.516 25762 2546 1 4 . 1 1 72 72 GLN H H 72 8.273 8.273 9.144 -0.871 25762 2547 1 4 . 1 1 73 73 ALA N N 73 122.414 122.414 125.525 -3.111 25762 2548 1 4 . 1 1 73 73 ALA HA H 73 4.220 4.220 4.150 0.070 25762 2549 1 4 . 1 1 73 73 ALA C C 73 178.776 178.776 176.617 2.159 25762 2550 1 4 . 1 1 73 73 ALA CA C 73 52.751 52.751 52.171 0.580 25762 2551 1 4 . 1 1 73 73 ALA CB C 73 19.559 19.559 17.856 1.703 25762 2552 1 4 . 1 1 73 73 ALA H H 73 8.293 8.293 8.731 -0.438 25762 2553 1 4 . 1 1 74 74 TRP N N 74 120.412 120.412 123.331 -2.919 25762 2554 1 4 . 1 1 74 74 TRP HA H 74 4.260 4.260 4.665 -0.405 25762 2555 1 4 . 1 1 74 74 TRP C C 74 178.290 178.290 175.857 2.433 25762 2556 1 4 . 1 1 74 74 TRP CA C 74 58.982 58.982 56.984 1.998 25762 2557 1 4 . 1 1 74 74 TRP CB C 74 30.633 30.633 29.967 0.666 25762 2558 1 4 . 1 1 74 74 TRP H H 74 8.136 8.136 8.113 0.023 25762 2559 1 4 . 1 1 75 75 GLY N N 75 109.881 109.881 108.695 1.186 25762 2560 1 4 . 1 1 75 75 GLY C C 75 177.700 177.700 172.927 4.773 25762 2561 1 4 . 1 1 75 75 GLY CA C 75 44.287 44.287 44.267 0.020 25762 2562 1 4 . 1 1 75 75 GLY H H 75 8.763 8.763 7.339 1.424 25762 2563 1 4 . 1 1 76 76 GLU N N 76 116.900 116.900 124.610 -7.710 25762 2564 1 4 . 1 1 76 76 GLU HA H 76 4.230 4.230 4.350 -0.120 25762 2565 1 4 . 1 1 76 76 GLU C C 76 177.770 177.770 175.905 1.865 25762 2566 1 4 . 1 1 76 76 GLU CA C 76 55.700 55.700 55.191 0.509 25762 2567 1 4 . 1 1 76 76 GLU CB C 76 30.600 30.600 31.898 -1.298 25762 2568 1 4 . 1 1 76 76 GLU H H 76 8.400 8.400 8.352 0.048 25762 2569 1 4 . 1 1 77 77 CYS N N 77 121.846 121.846 124.474 -2.628 25762 2570 1 4 . 1 1 77 77 CYS HA H 77 4.150 4.150 4.355 -0.205 25762 2571 1 4 . 1 1 77 77 CYS C C 77 174.117 174.117 173.914 0.203 25762 2572 1 4 . 1 1 77 77 CYS CA C 77 56.706 56.706 58.891 -2.185 25762 2573 1 4 . 1 1 77 77 CYS CB C 77 41.056 41.056 26.851 14.205 25762 2574 1 4 . 1 1 77 77 CYS H H 77 8.980 8.980 8.990 -0.010 25762 2575 1 4 . 1 1 78 78 ASP N N 78 131.728 131.728 127.101 4.627 25762 2576 1 4 . 1 1 78 78 ASP HA H 78 3.370 3.370 4.881 -1.511 25762 2577 1 4 . 1 1 78 78 ASP C C 78 176.890 176.890 176.479 0.411 25762 2578 1 4 . 1 1 78 78 ASP CA C 78 53.492 53.492 53.644 -0.152 25762 2579 1 4 . 1 1 78 78 ASP CB C 78 41.819 41.819 41.980 -0.161 25762 2580 1 4 . 1 1 78 78 ASP H H 78 8.279 8.279 8.738 -0.459 25762 2581 1 4 . 1 1 79 79 LEU N N 79 127.191 127.191 125.949 1.242 25762 2582 1 4 . 1 1 79 79 LEU HA H 79 3.990 3.990 4.069 -0.079 25762 2583 1 4 . 1 1 79 79 LEU C C 79 178.627 178.627 178.349 0.278 25762 2584 1 4 . 1 1 79 79 LEU CA C 79 57.179 57.179 57.316 -0.138 25762 2585 1 4 . 1 1 79 79 LEU CB C 79 41.642 41.642 41.709 -0.068 25762 2586 1 4 . 1 1 79 79 LEU H H 79 8.763 8.763 8.547 0.216 25762 2587 1 4 . 1 1 80 80 ASN N N 80 116.238 116.238 116.025 0.213 25762 2588 1 4 . 1 1 80 80 ASN HA H 80 4.590 4.590 4.641 -0.051 25762 2589 1 4 . 1 1 80 80 ASN C C 80 176.905 176.905 176.649 0.256 25762 2590 1 4 . 1 1 80 80 ASN CA C 80 55.800 55.800 55.062 0.738 25762 2591 1 4 . 1 1 80 80 ASN CB C 80 39.151 39.151 39.036 0.115 25762 2592 1 4 . 1 1 80 80 ASN H H 80 8.746 8.746 8.256 0.490 25762 2593 1 4 . 1 1 81 81 THR N N 81 108.459 108.459 110.286 -1.827 25762 2594 1 4 . 1 1 81 81 THR HA H 81 4.240 4.240 4.451 -0.211 25762 2595 1 4 . 1 1 81 81 THR C C 81 174.727 174.727 174.936 -0.209 25762 2596 1 4 . 1 1 81 81 THR CA C 81 61.540 61.540 61.514 0.026 25762 2597 1 4 . 1 1 81 81 THR CB C 81 70.900 70.900 69.981 0.919 25762 2598 1 4 . 1 1 81 81 THR H H 81 7.666 7.666 7.920 -0.254 25762 2599 1 4 . 1 1 82 82 ALA N N 82 122.870 122.870 123.527 -0.657 25762 2600 1 4 . 1 1 82 82 ALA HA H 82 3.820 3.820 3.969 -0.149 25762 2601 1 4 . 1 1 82 82 ALA C C 82 176.506 176.506 175.286 1.220 25762 2602 1 4 . 1 1 82 82 ALA CA C 82 53.603 53.603 53.471 0.132 25762 2603 1 4 . 1 1 82 82 ALA CB C 82 17.013 17.013 17.179 -0.166 25762 2604 1 4 . 1 1 82 82 ALA H H 82 8.687 8.687 8.256 0.431 25762 2605 1 4 . 1 1 83 83 LEU N N 83 117.374 117.374 116.014 1.360 25762 2606 1 4 . 1 1 83 83 LEU HA H 83 5.031 5.031 4.992 0.039 25762 2607 1 4 . 1 1 83 83 LEU C C 83 177.616 177.616 175.819 1.797 25762 2608 1 4 . 1 1 83 83 LEU CA C 83 54.098 54.098 53.077 1.021 25762 2609 1 4 . 1 1 83 83 LEU CB C 83 46.622 46.622 46.099 0.523 25762 2610 1 4 . 1 1 83 83 LEU H H 83 7.353 7.353 7.407 -0.054 25762 2611 1 4 . 1 1 84 84 LYS N N 84 122.053 122.053 121.195 0.858 25762 2612 1 4 . 1 1 84 84 LYS HA H 84 4.940 4.940 4.656 0.284 25762 2613 1 4 . 1 1 84 84 LYS C C 84 175.449 175.449 174.967 0.482 25762 2614 1 4 . 1 1 84 84 LYS CA C 84 54.287 54.287 55.529 -1.242 25762 2615 1 4 . 1 1 84 84 LYS CB C 84 36.060 36.060 35.278 0.783 25762 2616 1 4 . 1 1 84 84 LYS H H 84 9.043 9.043 8.973 0.070 25762 2617 1 4 . 1 1 85 85 THR N N 85 114.896 114.896 115.409 -0.513 25762 2618 1 4 . 1 1 85 85 THR HA H 85 5.820 5.820 5.178 0.642 25762 2619 1 4 . 1 1 85 85 THR C C 85 174.123 174.123 173.322 0.801 25762 2620 1 4 . 1 1 85 85 THR CA C 85 61.226 61.226 60.789 0.437 25762 2621 1 4 . 1 1 85 85 THR CB C 85 72.857 72.857 71.398 1.459 25762 2622 1 4 . 1 1 85 85 THR H H 85 9.011 9.011 8.478 0.533 25762 2623 1 4 . 1 1 86 86 ARG N N 86 123.804 123.804 124.782 -0.978 25762 2624 1 4 . 1 1 86 86 ARG C C 86 173.792 173.792 174.121 -0.329 25762 2625 1 4 . 1 1 86 86 ARG CA C 86 56.720 56.720 55.707 1.013 25762 2626 1 4 . 1 1 86 86 ARG CB C 86 33.185 33.185 33.951 -0.766 25762 2627 1 4 . 1 1 86 86 ARG H H 86 9.056 9.056 8.771 0.285 25762 2628 1 4 . 1 1 87 87 THR N N 87 117.796 117.796 121.797 -4.001 25762 2629 1 4 . 1 1 87 87 THR HA H 87 5.270 5.270 5.454 -0.184 25762 2630 1 4 . 1 1 87 87 THR C C 87 173.939 173.939 173.054 0.885 25762 2631 1 4 . 1 1 87 87 THR CA C 87 61.003 61.003 61.173 -0.170 25762 2632 1 4 . 1 1 87 87 THR CB C 87 71.091 71.091 72.164 -1.073 25762 2633 1 4 . 1 1 87 87 THR H H 87 8.387 8.387 8.382 0.005 25762 2634 1 4 . 1 1 88 88 GLY N N 88 112.501 112.501 111.227 1.274 25762 2635 1 4 . 1 1 88 88 GLY C C 88 171.645 171.645 171.868 -0.223 25762 2636 1 4 . 1 1 88 88 GLY CA C 88 44.657 44.657 44.093 0.564 25762 2637 1 4 . 1 1 88 88 GLY H H 88 9.074 9.074 9.025 0.049 25762 2638 1 4 . 1 1 89 89 SER N N 89 115.802 115.802 116.077 -0.275 25762 2639 1 4 . 1 1 89 89 SER HA H 89 5.260 5.260 5.441 -0.181 25762 2640 1 4 . 1 1 89 89 SER C C 89 174.767 174.767 173.991 0.776 25762 2641 1 4 . 1 1 89 89 SER CA C 89 56.512 56.512 55.788 0.724 25762 2642 1 4 . 1 1 89 89 SER CB C 89 65.434 65.434 66.419 -0.985 25762 2643 1 4 . 1 1 89 89 SER H H 89 8.217 8.217 8.569 -0.352 25762 2644 1 4 . 1 1 90 90 LEU N N 90 128.595 128.595 124.342 4.253 25762 2645 1 4 . 1 1 90 90 LEU HA H 90 3.420 3.420 4.533 -1.113 25762 2646 1 4 . 1 1 90 90 LEU C C 90 176.399 176.399 177.195 -0.796 25762 2647 1 4 . 1 1 90 90 LEU CA C 90 56.558 56.558 54.825 1.734 25762 2648 1 4 . 1 1 90 90 LEU CB C 90 43.006 43.006 42.236 0.770 25762 2649 1 4 . 1 1 90 90 LEU H H 90 8.555 8.555 8.763 -0.208 25762 2650 1 4 . 1 1 91 91 LYS N N 91 128.646 128.646 126.732 1.914 25762 2651 1 4 . 1 1 91 91 LYS HA H 91 4.330 4.330 4.270 0.060 25762 2652 1 4 . 1 1 91 91 LYS C C 91 176.318 176.318 176.444 -0.126 25762 2653 1 4 . 1 1 91 91 LYS CA C 91 56.103 56.103 58.217 -2.114 25762 2654 1 4 . 1 1 91 91 LYS CB C 91 33.565 33.565 33.247 0.318 25762 2655 1 4 . 1 1 91 91 LYS H H 91 9.065 9.065 8.379 0.686 25762 2656 1 4 . 1 1 92 92 ARG N N 92 118.834 118.834 118.111 0.723 25762 2657 1 4 . 1 1 92 92 ARG HA H 92 4.220 4.220 4.525 -0.305 25762 2658 1 4 . 1 1 92 92 ARG C C 92 173.259 173.259 173.986 -0.727 25762 2659 1 4 . 1 1 92 92 ARG CA C 92 56.259 56.259 54.943 1.317 25762 2660 1 4 . 1 1 92 92 ARG CB C 92 32.623 32.623 31.948 0.675 25762 2661 1 4 . 1 1 92 92 ARG H H 92 7.641 7.641 7.650 -0.009 25762 2662 1 4 . 1 1 93 93 ALA N N 93 127.574 127.574 123.948 3.626 25762 2663 1 4 . 1 1 93 93 ALA HA H 93 4.870 4.870 4.396 0.474 25762 2664 1 4 . 1 1 93 93 ALA C C 93 177.037 177.037 175.975 1.062 25762 2665 1 4 . 1 1 93 93 ALA CA C 93 50.949 50.949 50.715 0.234 25762 2666 1 4 . 1 1 93 93 ALA CB C 93 21.664 21.664 20.587 1.077 25762 2667 1 4 . 1 1 93 93 ALA H H 93 8.451 8.451 8.158 0.293 25762 2668 1 4 . 1 1 94 94 LEU N N 94 123.296 123.296 120.181 3.115 25762 2669 1 4 . 1 1 94 94 LEU HA H 94 4.250 4.250 4.413 -0.163 25762 2670 1 4 . 1 1 94 94 LEU C C 94 177.256 177.256 177.660 -0.404 25762 2671 1 4 . 1 1 94 94 LEU CA C 94 55.137 55.137 54.262 0.875 25762 2672 1 4 . 1 1 94 94 LEU CB C 94 42.697 42.697 42.943 -0.246 25762 2673 1 4 . 1 1 94 94 LEU H H 94 8.654 8.654 8.006 0.648 25762 2674 1 4 . 1 1 95 95 HIS N N 95 116.413 116.413 118.057 -1.644 25762 2675 1 4 . 1 1 95 95 HIS HA H 95 4.430 4.430 4.604 -0.174 25762 2676 1 4 . 1 1 95 95 HIS C C 95 174.801 174.801 176.783 -1.982 25762 2677 1 4 . 1 1 95 95 HIS CA C 95 56.400 56.400 58.109 -1.709 25762 2678 1 4 . 1 1 95 95 HIS CB C 95 28.218 28.218 30.514 -2.296 25762 2679 1 4 . 1 1 95 95 HIS H H 95 8.642 8.642 8.527 0.115 25762 2680 1 4 . 1 1 96 96 ASN N N 96 115.824 115.824 120.212 -4.388 25762 2681 1 4 . 1 1 96 96 ASN HA H 96 4.450 4.450 4.875 -0.425 25762 2682 1 4 . 1 1 96 96 ASN C C 96 175.026 175.026 173.912 1.114 25762 2683 1 4 . 1 1 96 96 ASN CA C 96 53.692 53.692 52.447 1.245 25762 2684 1 4 . 1 1 96 96 ASN CB C 96 38.056 38.056 37.415 0.641 25762 2685 1 4 . 1 1 96 96 ASN H H 96 8.461 8.461 8.519 -0.058 25762 2686 1 4 . 1 1 97 97 ALA N N 97 122.558 122.558 120.746 1.812 25762 2687 1 4 . 1 1 97 97 ALA HA H 97 4.130 4.130 4.394 -0.264 25762 2688 1 4 . 1 1 97 97 ALA C C 97 177.337 177.337 175.130 2.207 25762 2689 1 4 . 1 1 97 97 ALA CA C 97 53.430 53.430 52.092 1.338 25762 2690 1 4 . 1 1 97 97 ALA CB C 97 20.204 20.204 20.408 -0.204 25762 2691 1 4 . 1 1 97 97 ALA H H 97 7.791 7.791 7.295 0.496 25762 2692 1 4 . 1 1 98 98 GLU N N 98 120.504 120.504 120.695 -0.191 25762 2693 1 4 . 1 1 98 98 GLU HA H 98 4.320 4.320 4.565 -0.245 25762 2694 1 4 . 1 1 98 98 GLU C C 98 176.154 176.154 175.577 0.577 25762 2695 1 4 . 1 1 98 98 GLU CA C 98 56.630 56.630 55.508 1.122 25762 2696 1 4 . 1 1 98 98 GLU CB C 98 29.496 29.496 30.248 -0.752 25762 2697 1 4 . 1 1 98 98 GLU H H 98 8.478 8.478 8.487 -0.009 25762 2698 1 4 . 1 1 99 99 CYS N N 99 122.399 122.399 123.006 -0.607 25762 2699 1 4 . 1 1 99 99 CYS HA H 99 4.820 4.820 4.607 0.213 25762 2700 1 4 . 1 1 99 99 CYS C C 99 174.711 174.711 175.124 -0.413 25762 2701 1 4 . 1 1 99 99 CYS CA C 99 53.985 53.985 58.331 -4.346 25762 2702 1 4 . 1 1 99 99 CYS CB C 99 44.177 44.177 27.388 16.789 25762 2703 1 4 . 1 1 99 99 CYS H H 99 7.978 7.978 8.771 -0.793 25762 2704 1 4 . 1 1 100 100 GLN N N 100 123.539 123.539 124.422 -0.883 25762 2705 1 4 . 1 1 100 100 GLN HA H 100 4.300 4.300 4.471 -0.171 25762 2706 1 4 . 1 1 100 100 GLN C C 100 178.317 178.317 176.852 1.465 25762 2707 1 4 . 1 1 100 100 GLN CA C 100 56.157 56.157 55.990 0.167 25762 2708 1 4 . 1 1 100 100 GLN CB C 100 29.303 29.303 30.498 -1.196 25762 2709 1 4 . 1 1 100 100 GLN H H 100 8.864 8.864 8.862 0.002 25762 2710 1 4 . 1 1 101 101 LYS N N 101 125.153 125.153 122.927 2.226 25762 2711 1 4 . 1 1 101 101 LYS HA H 101 4.020 4.020 4.204 -0.184 25762 2712 1 4 . 1 1 101 101 LYS C C 101 176.669 176.669 176.135 0.534 25762 2713 1 4 . 1 1 101 101 LYS CA C 101 59.876 59.876 58.631 1.245 25762 2714 1 4 . 1 1 101 101 LYS CB C 101 32.760 32.760 32.661 0.099 25762 2715 1 4 . 1 1 101 101 LYS H H 101 9.063 9.063 8.742 0.321 25762 2716 1 4 . 1 1 102 102 THR N N 102 111.208 111.208 109.773 1.435 25762 2717 1 4 . 1 1 102 102 THR HA H 102 5.260 5.260 5.132 0.128 25762 2718 1 4 . 1 1 102 102 THR C C 102 173.097 173.097 173.258 -0.161 25762 2719 1 4 . 1 1 102 102 THR CA C 102 59.922 59.922 60.837 -0.915 25762 2720 1 4 . 1 1 102 102 THR CB C 102 71.788 71.788 71.379 0.409 25762 2721 1 4 . 1 1 102 102 THR H H 102 7.706 7.706 7.431 0.275 25762 2722 1 4 . 1 1 103 103 VAL N N 103 117.395 117.395 122.115 -4.720 25762 2723 1 4 . 1 1 103 103 VAL HA H 103 4.510 4.510 4.607 -0.097 25762 2724 1 4 . 1 1 103 103 VAL C C 103 174.132 174.132 174.361 -0.229 25762 2725 1 4 . 1 1 103 103 VAL CA C 103 59.538 59.538 60.085 -0.547 25762 2726 1 4 . 1 1 103 103 VAL CB C 103 35.523 35.523 35.317 0.206 25762 2727 1 4 . 1 1 103 103 VAL H H 103 8.192 8.192 9.214 -1.022 25762 2728 1 4 . 1 1 104 104 THR N N 104 117.862 117.862 121.030 -3.168 25762 2729 1 4 . 1 1 104 104 THR HA H 104 5.098 5.098 5.036 0.062 25762 2730 1 4 . 1 1 104 104 THR C C 104 173.646 173.646 173.793 -0.147 25762 2731 1 4 . 1 1 104 104 THR CA C 104 61.458 61.458 62.084 -0.626 25762 2732 1 4 . 1 1 104 104 THR CB C 104 71.177 71.177 70.420 0.757 25762 2733 1 4 . 1 1 104 104 THR H H 104 8.332 8.332 8.274 0.058 25762 2734 1 4 . 1 1 105 105 ILE N N 105 124.431 124.431 122.496 1.935 25762 2735 1 4 . 1 1 105 105 ILE HA H 105 4.670 4.670 4.667 0.003 25762 2736 1 4 . 1 1 105 105 ILE C C 105 174.296 174.296 173.780 0.516 25762 2737 1 4 . 1 1 105 105 ILE CA C 105 59.695 59.695 60.156 -0.461 25762 2738 1 4 . 1 1 105 105 ILE CB C 105 41.116 41.116 41.352 -0.236 25762 2739 1 4 . 1 1 105 105 ILE H H 105 8.868 8.868 8.651 0.217 25762 2740 1 4 . 1 1 106 106 SER N N 106 118.430 118.430 120.709 -2.279 25762 2741 1 4 . 1 1 106 106 SER HA H 106 3.760 3.760 5.102 -1.342 25762 2742 1 4 . 1 1 106 106 SER C C 106 173.441 173.441 173.248 0.193 25762 2743 1 4 . 1 1 106 106 SER CA C 106 56.877 56.877 57.117 -0.240 25762 2744 1 4 . 1 1 106 106 SER CB C 106 67.115 67.115 64.928 2.187 25762 2745 1 4 . 1 1 106 106 SER H H 106 8.559 8.559 8.492 0.067 25762 2746 1 4 . 1 1 107 107 LYS N N 107 121.976 121.976 125.721 -3.745 25762 2747 1 4 . 1 1 107 107 LYS CA C 107 53.625 53.625 52.923 0.702 25762 2748 1 4 . 1 1 107 107 LYS CB C 107 35.515 35.515 35.273 0.242 25762 2749 1 4 . 1 1 107 107 LYS H H 107 9.060 9.060 8.994 0.066 25762 2750 1 4 . 1 1 108 108 PRO HA H 108 4.940 4.940 4.735 0.205 25762 2751 1 4 . 1 1 108 108 PRO C C 108 176.741 176.741 175.861 0.880 25762 2752 1 4 . 1 1 108 108 PRO CA C 108 62.870 62.870 62.790 0.080 25762 2753 1 4 . 1 1 108 108 PRO CB C 108 32.590 32.590 31.665 0.925 25762 2754 1 4 . 1 1 109 109 CYS N N 109 118.313 118.313 123.578 -5.265 25762 2755 1 4 . 1 1 109 109 CYS HA H 109 4.501 4.501 4.510 -0.009 25762 2756 1 4 . 1 1 109 109 CYS C C 109 173.369 173.369 176.715 -3.346 25762 2757 1 4 . 1 1 109 109 CYS CA C 109 55.950 55.950 60.098 -4.148 25762 2758 1 4 . 1 1 109 109 CYS CB C 109 44.620 44.620 28.268 16.352 25762 2759 1 4 . 1 1 109 109 CYS H H 109 8.237 8.237 8.486 -0.249 25762 2760 1 4 . 1 1 110 110 GLY N N 110 108.677 108.677 109.721 -1.044 25762 2761 1 4 . 1 1 110 110 GLY C C 110 173.455 173.455 173.438 0.017 25762 2762 1 4 . 1 1 110 110 GLY CA C 110 45.276 45.276 44.925 0.351 25762 2763 1 4 . 1 1 110 110 GLY H H 110 8.220 8.220 8.209 0.011 25762 2764 1 4 . 1 1 111 111 LYS N N 111 121.361 121.361 123.740 -2.379 25762 2765 1 4 . 1 1 111 111 LYS HA H 111 4.270 4.270 4.266 0.004 25762 2766 1 4 . 1 1 111 111 LYS C C 111 176.597 176.597 176.257 0.340 25762 2767 1 4 . 1 1 111 111 LYS CA C 111 56.420 56.420 56.381 0.039 25762 2768 1 4 . 1 1 111 111 LYS CB C 111 33.470 33.470 32.230 1.240 25762 2769 1 4 . 1 1 111 111 LYS H H 111 8.239 8.239 8.127 0.112 25762 2770 1 4 . 1 1 112 112 LEU N N 112 123.971 123.971 125.129 -1.158 25762 2771 1 4 . 1 1 112 112 LEU HA H 112 4.410 4.410 4.504 -0.094 25762 2772 1 4 . 1 1 112 112 LEU C C 112 177.404 177.404 176.423 0.981 25762 2773 1 4 . 1 1 112 112 LEU CA C 112 55.150 55.150 54.090 1.060 25762 2774 1 4 . 1 1 112 112 LEU CB C 112 42.349 42.349 41.666 0.683 25762 2775 1 4 . 1 1 112 112 LEU H H 112 8.340 8.340 8.354 -0.014 25762 2776 1 4 . 1 1 113 113 THR N N 113 116.653 116.653 112.458 4.195 25762 2777 1 4 . 1 1 113 113 THR HA H 113 4.310 4.310 4.413 -0.103 25762 2778 1 4 . 1 1 113 113 THR C C 113 174.082 174.082 173.724 0.358 25762 2779 1 4 . 1 1 113 113 THR CA C 113 61.676 61.676 61.412 0.264 25762 2780 1 4 . 1 1 113 113 THR CB C 113 69.090 69.090 69.492 -0.402 25762 2781 1 4 . 1 1 113 113 THR H H 113 8.150 8.150 7.559 0.591 25762 2782 1 4 . 1 1 114 114 LYS N N 114 125.770 125.770 128.049 -2.279 25762 2783 1 4 . 1 1 114 114 LYS CA C 114 54.157 54.157 53.613 0.544 25762 2784 1 4 . 1 1 114 114 LYS CB C 114 32.820 32.820 32.782 0.038 25762 2785 1 4 . 1 1 114 114 LYS H H 114 8.290 8.290 8.493 -0.203 25762 2786 1 4 . 1 1 115 115 PRO HA H 115 4.350 4.350 4.409 -0.059 25762 2787 1 4 . 1 1 115 115 PRO C C 115 176.679 176.679 175.666 1.013 25762 2788 1 4 . 1 1 115 115 PRO CA C 115 62.960 62.960 63.319 -0.359 25762 2789 1 4 . 1 1 115 115 PRO CB C 115 31.860 31.860 32.219 -0.359 25762 2790 1 4 . 1 1 116 116 LYS N N 116 123.818 123.818 120.529 3.289 25762 2791 1 4 . 1 1 116 116 LYS CA C 116 54.338 54.338 54.957 -0.619 25762 2792 1 4 . 1 1 116 116 LYS CB C 116 32.913 32.913 32.296 0.617 25762 2793 1 4 . 1 1 116 116 LYS H H 116 8.441 8.441 8.468 -0.027 25762 2794 1 4 . 1 1 117 117 PRO HA H 117 4.403 4.403 4.466 -0.063 25762 2795 1 4 . 1 1 117 117 PRO C C 117 177.038 177.038 176.880 0.158 25762 2796 1 4 . 1 1 117 117 PRO CA C 117 63.360 63.360 63.489 -0.129 25762 2797 1 4 . 1 1 117 117 PRO CB C 117 32.060 32.060 32.424 -0.364 25762 2798 1 4 . 1 1 118 118 GLN N N 118 121.596 121.596 124.068 -2.472 25762 2799 1 4 . 1 1 118 118 GLN HA H 118 4.270 4.270 4.470 -0.200 25762 2800 1 4 . 1 1 118 118 GLN C C 118 175.963 175.963 174.979 0.984 25762 2801 1 4 . 1 1 118 118 GLN CA C 118 55.916 55.916 54.381 1.535 25762 2802 1 4 . 1 1 118 118 GLN CB C 118 29.743 29.743 29.605 0.138 25762 2803 1 4 . 1 1 118 118 GLN H H 118 8.510 8.510 8.352 0.158 25762 2804 1 4 . 1 1 119 119 ALA N N 119 126.073 126.073 123.417 2.656 25762 2805 1 4 . 1 1 119 119 ALA HA H 119 4.270 4.270 4.328 -0.058 25762 2806 1 4 . 1 1 119 119 ALA C C 119 177.921 177.921 177.981 -0.060 25762 2807 1 4 . 1 1 119 119 ALA CA C 119 52.765 52.765 52.143 0.622 25762 2808 1 4 . 1 1 119 119 ALA CB C 119 19.501 19.501 19.147 0.354 25762 2809 1 4 . 1 1 119 119 ALA H H 119 8.389 8.389 8.384 0.005 25762 2810 1 4 . 1 1 120 120 GLU N N 120 121.107 121.107 124.383 -3.276 25762 2811 1 4 . 1 1 120 120 GLU HA H 120 4.260 4.260 4.274 -0.014 25762 2812 1 4 . 1 1 120 120 GLU C C 120 176.819 176.819 176.301 0.518 25762 2813 1 4 . 1 1 120 120 GLU CA C 120 56.680 56.680 56.038 0.642 25762 2814 1 4 . 1 1 120 120 GLU CB C 120 30.482 30.482 27.908 2.574 25762 2815 1 4 . 1 1 120 120 GLU H H 120 8.441 8.441 8.749 -0.308 25762 2816 1 4 . 1 1 121 121 SER N N 121 117.791 117.791 118.046 -0.255 25762 2817 1 4 . 1 1 121 121 SER HA H 121 4.410 4.410 4.031 0.379 25762 2818 1 4 . 1 1 121 121 SER C C 121 174.892 174.892 174.042 0.850 25762 2819 1 4 . 1 1 121 121 SER CA C 121 58.548 58.548 59.616 -1.068 25762 2820 1 4 . 1 1 121 121 SER CB C 121 63.668 63.668 62.455 1.214 25762 2821 1 4 . 1 1 121 121 SER H H 121 8.379 8.379 8.487 -0.108 25762 2822 1 4 . 1 1 122 122 LYS N N 122 123.955 123.955 120.959 2.996 25762 2823 1 4 . 1 1 122 122 LYS CA C 122 56.474 56.474 55.986 0.487 25762 2824 1 4 . 1 1 122 122 LYS CB C 122 33.335 33.335 33.057 0.278 25762 2825 1 4 . 1 1 122 122 LYS H H 122 8.329 8.329 8.207 0.122 25762 2826 1 4 . 1 1 125 125 LYS HA H 125 4.310 4.310 4.213 0.097 25762 2827 1 4 . 1 1 125 125 LYS C C 125 176.721 176.721 176.690 0.031 25762 2828 1 4 . 1 1 125 125 LYS CA C 125 56.580 56.580 56.607 -0.027 25762 2829 1 4 . 1 1 125 125 LYS CB C 125 32.810 32.810 31.686 1.124 25762 2830 1 4 . 1 1 126 126 LYS N N 126 122.569 122.569 124.090 -1.521 25762 2831 1 4 . 1 1 126 126 LYS HA H 126 4.320 4.320 4.296 0.024 25762 2832 1 4 . 1 1 126 126 LYS C C 126 176.512 176.512 176.925 -0.413 25762 2833 1 4 . 1 1 126 126 LYS CA C 126 56.440 56.440 56.734 -0.294 25762 2834 1 4 . 1 1 126 126 LYS CB C 126 33.057 33.057 32.894 0.163 25762 2835 1 4 . 1 1 126 126 LYS H H 126 8.169 8.169 8.046 0.123 25762 2836 1 4 . 1 1 127 127 GLU N N 127 123.450 123.450 120.565 2.885 25762 2837 1 4 . 1 1 127 127 GLU HA H 127 4.310 4.310 4.402 -0.092 25762 2838 1 4 . 1 1 127 127 GLU C C 127 176.800 176.800 177.396 -0.596 25762 2839 1 4 . 1 1 127 127 GLU CA C 127 56.474 56.474 55.606 0.868 25762 2840 1 4 . 1 1 127 127 GLU CB C 127 30.620 30.620 30.743 -0.123 25762 2841 1 4 . 1 1 127 127 GLU H H 127 8.459 8.459 7.947 0.512 25762 2842 1 4 . 1 1 128 128 GLY N N 128 110.800 110.800 111.675 -0.875 25762 2843 1 4 . 1 1 128 128 GLY CA C 128 45.300 45.300 45.453 -0.153 25762 2844 1 4 . 1 1 128 128 GLY H H 128 8.440 8.440 8.767 -0.327 25762 2845 1 4 . 1 1 129 129 LYS HA H 129 4.270 4.270 4.519 -0.249 25762 2846 1 4 . 1 1 129 129 LYS C C 129 176.516 176.516 175.377 1.139 25762 2847 1 4 . 1 1 129 129 LYS CA C 129 56.480 56.480 55.464 1.016 25762 2848 1 4 . 1 1 129 129 LYS CB C 129 32.860 32.860 33.854 -0.994 25762 2849 1 4 . 1 1 130 130 LYS N N 130 124.071 124.071 124.490 -0.419 25762 2850 1 4 . 1 1 130 130 LYS HA H 130 4.270 4.270 4.242 0.028 25762 2851 1 4 . 1 1 130 130 LYS C C 130 176.545 176.545 176.926 -0.381 25762 2852 1 4 . 1 1 130 130 LYS CA C 130 56.495 56.495 56.368 0.127 25762 2853 1 4 . 1 1 130 130 LYS CB C 130 33.020 33.020 32.118 0.902 25762 2854 1 4 . 1 1 130 130 LYS H H 130 8.409 8.409 8.623 -0.214 25762 2855 1 4 . 1 1 131 131 GLN N N 131 122.710 122.710 123.846 -1.136 25762 2856 1 4 . 1 1 131 131 GLN HA H 131 4.440 4.440 4.122 0.318 25762 2857 1 4 . 1 1 131 131 GLN C C 131 175.866 175.866 175.183 0.683 25762 2858 1 4 . 1 1 131 131 GLN CA C 131 56.016 56.016 56.567 -0.551 25762 2859 1 4 . 1 1 131 131 GLN CB C 131 29.663 29.663 27.873 1.790 25762 2860 1 4 . 1 1 131 131 GLN H H 131 8.467 8.467 8.831 -0.364 25762 2861 1 4 . 1 1 132 132 GLU N N 132 123.586 123.586 119.468 4.118 25762 2862 1 4 . 1 1 132 132 GLU HA H 132 4.250 4.250 4.386 -0.136 25762 2863 1 4 . 1 1 132 132 GLU C C 132 176.354 176.354 176.474 -0.120 25762 2864 1 4 . 1 1 132 132 GLU CA C 132 56.537 56.537 56.590 -0.053 25762 2865 1 4 . 1 1 132 132 GLU CB C 132 30.614 30.614 30.080 0.534 25762 2866 1 4 . 1 1 132 132 GLU H H 132 8.490 8.490 8.662 -0.172 25762 2867 1 4 . 1 1 133 133 LYS N N 133 123.918 123.918 120.989 2.929 25762 2868 1 4 . 1 1 133 133 LYS HA H 133 4.280 4.280 4.219 0.061 25762 2869 1 4 . 1 1 133 133 LYS C C 133 176.232 176.232 176.199 0.033 25762 2870 1 4 . 1 1 133 133 LYS CA C 133 56.311 56.311 56.057 0.254 25762 2871 1 4 . 1 1 133 133 LYS CB C 133 33.137 33.137 33.165 -0.028 25762 2872 1 4 . 1 1 133 133 LYS H H 133 8.373 8.373 7.892 0.481 25762 2873 1 4 . 1 1 134 134 MET N N 134 122.994 122.994 120.417 2.577 25762 2874 1 4 . 1 1 134 134 MET HA H 134 4.480 4.480 4.455 0.025 25762 2875 1 4 . 1 1 134 134 MET C C 134 175.946 175.946 176.988 -1.042 25762 2876 1 4 . 1 1 134 134 MET CA C 134 55.563 55.563 55.130 0.433 25762 2877 1 4 . 1 1 134 134 MET CB C 134 32.010 32.010 33.141 -1.131 25762 2878 1 4 . 1 1 134 134 MET H H 134 8.436 8.436 8.358 0.078 25762 2879 1 4 . 1 1 135 135 LEU N N 135 124.454 124.454 124.722 -0.268 25762 2880 1 4 . 1 1 135 135 LEU HA H 135 4.380 4.380 4.275 0.105 25762 2881 1 4 . 1 1 135 135 LEU C C 135 176.158 176.158 176.282 -0.124 25762 2882 1 4 . 1 1 135 135 LEU CA C 135 55.225 55.225 55.000 0.225 25762 2883 1 4 . 1 1 135 135 LEU CB C 135 42.654 42.654 40.900 1.754 25762 2884 1 4 . 1 1 135 135 LEU H H 135 8.285 8.285 8.405 -0.120 25762 2885 1 5 . 1 1 2 2 LYS N N 2 121.740 121.740 121.758 -0.018 25762 2886 1 5 . 1 1 2 2 LYS CA C 2 56.298 56.298 55.863 0.435 25762 2887 1 5 . 1 1 2 2 LYS CB C 2 33.384 33.384 33.434 -0.050 25762 2888 1 5 . 1 1 2 2 LYS H H 2 8.229 8.229 8.273 -0.044 25762 2889 1 5 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.340 0.060 25762 2890 1 5 . 1 1 6 6 PRO C C 6 176.964 176.964 176.686 0.278 25762 2891 1 5 . 1 1 6 6 PRO CA C 6 63.200 63.200 64.039 -0.839 25762 2892 1 5 . 1 1 6 6 PRO CB C 6 32.100 32.100 32.153 -0.053 25762 2893 1 5 . 1 1 7 7 GLU N N 7 122.285 122.285 118.073 4.212 25762 2894 1 5 . 1 1 7 7 GLU HA H 7 4.260 4.260 4.456 -0.196 25762 2895 1 5 . 1 1 7 7 GLU C C 7 176.226 176.226 176.719 -0.493 25762 2896 1 5 . 1 1 7 7 GLU CA C 7 56.493 56.493 55.553 0.940 25762 2897 1 5 . 1 1 7 7 GLU CB C 7 30.610 30.610 31.831 -1.220 25762 2898 1 5 . 1 1 7 7 GLU H H 7 8.551 8.551 7.916 0.635 25762 2899 1 5 . 1 1 8 8 LYS N N 8 122.572 122.572 120.044 2.528 25762 2900 1 5 . 1 1 8 8 LYS HA H 8 4.310 4.310 3.893 0.417 25762 2901 1 5 . 1 1 8 8 LYS C C 8 176.541 176.541 175.785 0.756 25762 2902 1 5 . 1 1 8 8 LYS CA C 8 56.440 56.440 58.271 -1.831 25762 2903 1 5 . 1 1 8 8 LYS CB C 8 33.195 33.195 31.956 1.239 25762 2904 1 5 . 1 1 8 8 LYS H H 8 8.346 8.346 8.637 -0.291 25762 2905 1 5 . 1 1 9 9 LYS N N 9 123.843 123.843 122.176 1.667 25762 2906 1 5 . 1 1 9 9 LYS HA H 9 4.330 4.330 4.379 -0.049 25762 2907 1 5 . 1 1 9 9 LYS C C 9 176.390 176.390 175.629 0.761 25762 2908 1 5 . 1 1 9 9 LYS CA C 9 56.537 56.537 55.542 0.995 25762 2909 1 5 . 1 1 9 9 LYS CB C 9 33.160 33.160 32.521 0.639 25762 2910 1 5 . 1 1 9 9 LYS H H 9 8.505 8.505 8.021 0.484 25762 2911 1 5 . 1 1 10 10 VAL N N 10 123.043 123.043 124.148 -1.105 25762 2912 1 5 . 1 1 10 10 VAL HA H 10 4.080 4.080 4.166 -0.086 25762 2913 1 5 . 1 1 10 10 VAL C C 10 175.887 175.887 175.644 0.243 25762 2914 1 5 . 1 1 10 10 VAL CA C 10 62.159 62.159 60.939 1.220 25762 2915 1 5 . 1 1 10 10 VAL CB C 10 33.080 33.080 33.717 -0.637 25762 2916 1 5 . 1 1 10 10 VAL H H 10 8.206 8.206 8.007 0.199 25762 2917 1 5 . 1 1 11 11 LYS N N 11 126.952 126.952 126.087 0.865 25762 2918 1 5 . 1 1 11 11 LYS HA H 11 4.320 4.320 4.248 0.072 25762 2919 1 5 . 1 1 11 11 LYS C C 11 176.257 176.257 175.755 0.502 25762 2920 1 5 . 1 1 11 11 LYS CA C 11 56.085 56.085 56.656 -0.571 25762 2921 1 5 . 1 1 11 11 LYS CB C 11 33.320 33.320 32.409 0.911 25762 2922 1 5 . 1 1 11 11 LYS H H 11 8.433 8.433 8.543 -0.110 25762 2923 1 5 . 1 1 12 12 LYS N N 12 125.023 125.023 123.267 1.756 25762 2924 1 5 . 1 1 12 12 LYS HA H 12 4.260 4.260 4.036 0.224 25762 2925 1 5 . 1 1 12 12 LYS C C 12 176.306 176.306 176.610 -0.304 25762 2926 1 5 . 1 1 12 12 LYS CA C 12 56.605 56.605 56.468 0.137 25762 2927 1 5 . 1 1 12 12 LYS CB C 12 33.443 33.443 32.058 1.385 25762 2928 1 5 . 1 1 12 12 LYS H H 12 8.446 8.446 8.799 -0.353 25762 2929 1 5 . 1 1 13 13 SER N N 13 117.836 117.836 118.328 -0.492 25762 2930 1 5 . 1 1 13 13 SER HA H 13 4.460 4.460 4.398 0.062 25762 2931 1 5 . 1 1 13 13 SER C C 13 174.456 174.456 173.675 0.781 25762 2932 1 5 . 1 1 13 13 SER CA C 13 57.950 57.950 57.889 0.061 25762 2933 1 5 . 1 1 13 13 SER CB C 13 64.048 64.048 62.362 1.686 25762 2934 1 5 . 1 1 13 13 SER H H 13 8.353 8.353 8.656 -0.303 25762 2935 1 5 . 1 1 14 14 ASP N N 14 124.256 124.256 120.938 3.318 25762 2936 1 5 . 1 1 14 14 ASP HA H 14 4.570 4.570 4.705 -0.135 25762 2937 1 5 . 1 1 14 14 ASP C C 14 175.559 175.559 176.222 -0.663 25762 2938 1 5 . 1 1 14 14 ASP CA C 14 54.045 54.045 53.388 0.657 25762 2939 1 5 . 1 1 14 14 ASP CB C 14 41.037 41.037 42.704 -1.667 25762 2940 1 5 . 1 1 14 14 ASP H H 14 8.479 8.479 7.844 0.635 25762 2941 1 5 . 1 1 15 15 CYS N N 15 117.954 117.954 119.535 -1.581 25762 2942 1 5 . 1 1 15 15 CYS HA H 15 4.650 4.650 4.172 0.478 25762 2943 1 5 . 1 1 15 15 CYS C C 15 175.354 175.354 173.790 1.564 25762 2944 1 5 . 1 1 15 15 CYS CA C 15 55.413 55.413 60.117 -4.704 25762 2945 1 5 . 1 1 15 15 CYS CB C 15 43.497 43.497 25.800 17.697 25762 2946 1 5 . 1 1 15 15 CYS H H 15 7.901 7.901 8.746 -0.845 25762 2947 1 5 . 1 1 16 16 GLY N N 16 112.694 112.694 111.377 1.317 25762 2948 1 5 . 1 1 16 16 GLY C C 16 172.300 172.300 172.131 0.169 25762 2949 1 5 . 1 1 16 16 GLY CA C 16 44.224 44.224 44.408 -0.184 25762 2950 1 5 . 1 1 16 16 GLY H H 16 8.447 8.447 7.699 0.748 25762 2951 1 5 . 1 1 17 17 GLU N N 17 118.500 118.500 119.445 -0.945 25762 2952 1 5 . 1 1 17 17 GLU HA H 17 4.090 4.090 4.045 0.045 25762 2953 1 5 . 1 1 17 17 GLU C C 17 177.571 177.571 176.778 0.793 25762 2954 1 5 . 1 1 17 17 GLU CA C 17 55.900 55.900 55.403 0.497 25762 2955 1 5 . 1 1 17 17 GLU CB C 17 30.500 30.500 30.872 -0.372 25762 2956 1 5 . 1 1 17 17 GLU H H 17 8.250 8.250 8.389 -0.139 25762 2957 1 5 . 1 1 18 18 TRP N N 18 122.718 122.718 120.893 1.825 25762 2958 1 5 . 1 1 18 18 TRP HA H 18 4.040 4.040 4.411 -0.371 25762 2959 1 5 . 1 1 18 18 TRP C C 18 176.310 176.310 176.611 -0.301 25762 2960 1 5 . 1 1 18 18 TRP CA C 18 58.515 58.515 57.773 0.742 25762 2961 1 5 . 1 1 18 18 TRP CB C 18 30.365 30.365 29.119 1.246 25762 2962 1 5 . 1 1 18 18 TRP H H 18 8.319 8.319 8.218 0.101 25762 2963 1 5 . 1 1 19 19 GLN N N 19 123.305 123.305 123.090 0.215 25762 2964 1 5 . 1 1 19 19 GLN HA H 19 4.530 4.530 4.613 -0.083 25762 2965 1 5 . 1 1 19 19 GLN C C 19 175.571 175.571 174.654 0.917 25762 2966 1 5 . 1 1 19 19 GLN CA C 19 54.186 54.186 54.743 -0.557 25762 2967 1 5 . 1 1 19 19 GLN CB C 19 29.897 29.897 30.800 -0.903 25762 2968 1 5 . 1 1 19 19 GLN H H 19 9.140 9.140 8.508 0.632 25762 2969 1 5 . 1 1 20 20 TRP N N 20 125.311 125.311 123.595 1.716 25762 2970 1 5 . 1 1 20 20 TRP HA H 20 5.290 5.290 4.837 0.453 25762 2971 1 5 . 1 1 20 20 TRP C C 20 177.596 177.596 176.675 0.921 25762 2972 1 5 . 1 1 20 20 TRP CA C 20 56.651 56.651 56.587 0.064 25762 2973 1 5 . 1 1 20 20 TRP CB C 20 32.720 32.720 31.233 1.486 25762 2974 1 5 . 1 1 20 20 TRP H H 20 8.783 8.783 8.597 0.186 25762 2975 1 5 . 1 1 21 21 SER N N 21 120.041 120.041 117.236 2.805 25762 2976 1 5 . 1 1 21 21 SER HA H 21 4.440 4.440 4.736 -0.296 25762 2977 1 5 . 1 1 21 21 SER C C 21 173.795 173.795 174.324 -0.529 25762 2978 1 5 . 1 1 21 21 SER CA C 21 57.292 57.292 57.382 -0.090 25762 2979 1 5 . 1 1 21 21 SER CB C 21 65.435 65.435 64.234 1.202 25762 2980 1 5 . 1 1 21 21 SER H H 21 9.173 9.173 8.912 0.261 25762 2981 1 5 . 1 1 22 22 VAL N N 22 115.336 115.336 120.241 -4.905 25762 2982 1 5 . 1 1 22 22 VAL HA H 22 4.130 4.130 4.320 -0.190 25762 2983 1 5 . 1 1 22 22 VAL C C 22 175.183 175.183 175.798 -0.615 25762 2984 1 5 . 1 1 22 22 VAL CA C 22 62.008 62.008 61.420 0.588 25762 2985 1 5 . 1 1 22 22 VAL CB C 22 32.859 32.859 33.194 -0.335 25762 2986 1 5 . 1 1 22 22 VAL H H 22 8.099 8.099 8.290 -0.191 25762 2987 1 5 . 1 1 23 23 CYS N N 23 122.154 122.154 121.946 0.208 25762 2988 1 5 . 1 1 23 23 CYS HA H 23 4.330 4.330 4.400 -0.070 25762 2989 1 5 . 1 1 23 23 CYS C C 23 173.335 173.335 174.939 -1.604 25762 2990 1 5 . 1 1 23 23 CYS CA C 23 56.598 56.598 59.365 -2.767 25762 2991 1 5 . 1 1 23 23 CYS CB C 23 42.166 42.166 25.183 16.983 25762 2992 1 5 . 1 1 23 23 CYS H H 23 8.433 8.433 8.352 0.081 25762 2993 1 5 . 1 1 24 24 VAL N N 24 133.008 133.008 127.455 5.553 25762 2994 1 5 . 1 1 24 24 VAL HA H 24 4.260 4.260 4.608 -0.348 25762 2995 1 5 . 1 1 24 24 VAL CA C 24 59.409 59.409 58.155 1.254 25762 2996 1 5 . 1 1 24 24 VAL CB C 24 33.572 33.572 35.347 -1.775 25762 2997 1 5 . 1 1 24 24 VAL H H 24 8.790 8.790 8.409 0.381 25762 2998 1 5 . 1 1 25 25 PRO HA H 25 4.380 4.380 4.604 -0.224 25762 2999 1 5 . 1 1 25 25 PRO C C 25 176.853 176.853 176.833 0.020 25762 3000 1 5 . 1 1 25 25 PRO CA C 25 62.700 62.700 63.191 -0.491 25762 3001 1 5 . 1 1 25 25 PRO CB C 25 31.600 31.600 32.376 -0.776 25762 3002 1 5 . 1 1 26 26 THR N N 26 121.729 121.729 116.331 5.398 25762 3003 1 5 . 1 1 26 26 THR HA H 26 3.970 3.970 4.407 -0.437 25762 3004 1 5 . 1 1 26 26 THR C C 26 174.891 174.891 174.708 0.183 25762 3005 1 5 . 1 1 26 26 THR CA C 26 65.598 65.598 63.398 2.200 25762 3006 1 5 . 1 1 26 26 THR CB C 26 69.136 69.136 69.347 -0.210 25762 3007 1 5 . 1 1 26 26 THR H H 26 9.199 9.199 8.397 0.802 25762 3008 1 5 . 1 1 27 27 SER N N 27 115.495 115.495 114.229 1.266 25762 3009 1 5 . 1 1 27 27 SER HA H 27 4.590 4.590 4.665 -0.075 25762 3010 1 5 . 1 1 27 27 SER C C 27 173.700 173.700 174.252 -0.552 25762 3011 1 5 . 1 1 27 27 SER CA C 27 57.326 57.326 56.915 0.411 25762 3012 1 5 . 1 1 27 27 SER CB C 27 64.749 64.749 64.747 0.002 25762 3013 1 5 . 1 1 27 27 SER H H 27 8.676 8.676 7.351 1.325 25762 3014 1 5 . 1 1 28 28 GLY N N 28 111.492 111.492 109.992 1.500 25762 3015 1 5 . 1 1 28 28 GLY C C 28 173.803 173.803 175.483 -1.680 25762 3016 1 5 . 1 1 28 28 GLY CA C 28 45.965 45.965 45.505 0.460 25762 3017 1 5 . 1 1 28 28 GLY H H 28 8.482 8.482 8.663 -0.181 25762 3018 1 5 . 1 1 29 29 ASP N N 29 118.893 118.893 122.534 -3.641 25762 3019 1 5 . 1 1 29 29 ASP HA H 29 4.750 4.750 4.758 -0.008 25762 3020 1 5 . 1 1 29 29 ASP C C 29 175.806 175.806 175.136 0.670 25762 3021 1 5 . 1 1 29 29 ASP CA C 29 53.476 53.476 53.558 -0.082 25762 3022 1 5 . 1 1 29 29 ASP CB C 29 42.140 42.140 39.337 2.804 25762 3023 1 5 . 1 1 29 29 ASP H H 29 8.412 8.412 7.700 0.712 25762 3024 1 5 . 1 1 30 30 CYS N N 30 113.937 113.937 117.715 -3.778 25762 3025 1 5 . 1 1 30 30 CYS HA H 30 3.840 3.840 4.107 -0.267 25762 3026 1 5 . 1 1 30 30 CYS C C 30 170.767 170.767 174.267 -3.500 25762 3027 1 5 . 1 1 30 30 CYS CA C 30 56.060 56.060 59.821 -3.761 25762 3028 1 5 . 1 1 30 30 CYS CB C 30 47.900 47.900 25.886 22.014 25762 3029 1 5 . 1 1 30 30 CYS H H 30 7.983 7.983 7.863 0.120 25762 3030 1 5 . 1 1 31 31 GLY N N 31 110.972 110.972 111.282 -0.310 25762 3031 1 5 . 1 1 31 31 GLY C C 31 173.804 173.804 172.989 0.815 25762 3032 1 5 . 1 1 31 31 GLY CA C 31 44.043 44.043 44.703 -0.660 25762 3033 1 5 . 1 1 31 31 GLY H H 31 9.376 9.376 8.251 1.125 25762 3034 1 5 . 1 1 32 32 LEU N N 32 123.077 123.077 125.123 -2.046 25762 3035 1 5 . 1 1 32 32 LEU HA H 32 4.440 4.440 4.358 0.082 25762 3036 1 5 . 1 1 32 32 LEU C C 32 177.802 177.802 177.450 0.352 25762 3037 1 5 . 1 1 32 32 LEU CA C 32 55.904 55.904 54.503 1.401 25762 3038 1 5 . 1 1 32 32 LEU CB C 32 42.825 42.825 40.949 1.876 25762 3039 1 5 . 1 1 32 32 LEU H H 32 8.493 8.493 8.605 -0.112 25762 3040 1 5 . 1 1 33 33 GLY N N 33 110.436 110.436 113.730 -3.294 25762 3041 1 5 . 1 1 33 33 GLY C C 33 174.279 174.279 173.527 0.752 25762 3042 1 5 . 1 1 33 33 GLY CA C 33 45.930 45.930 44.470 1.460 25762 3043 1 5 . 1 1 33 33 GLY H H 33 8.658 8.658 8.490 0.168 25762 3044 1 5 . 1 1 34 34 THR N N 34 113.118 113.118 111.335 1.783 25762 3045 1 5 . 1 1 34 34 THR HA H 34 5.166 5.166 5.381 -0.215 25762 3046 1 5 . 1 1 34 34 THR C C 34 173.246 173.246 173.547 -0.301 25762 3047 1 5 . 1 1 34 34 THR CA C 34 60.776 60.776 60.531 0.246 25762 3048 1 5 . 1 1 34 34 THR CB C 34 72.892 72.892 72.092 0.800 25762 3049 1 5 . 1 1 34 34 THR H H 34 8.040 8.040 7.882 0.158 25762 3050 1 5 . 1 1 35 35 ARG N N 35 120.371 120.371 120.668 -0.297 25762 3051 1 5 . 1 1 35 35 ARG HA H 35 4.980 4.980 4.890 0.090 25762 3052 1 5 . 1 1 35 35 ARG C C 35 173.802 173.802 173.973 -0.171 25762 3053 1 5 . 1 1 35 35 ARG CA C 35 54.100 54.100 54.912 -0.812 25762 3054 1 5 . 1 1 35 35 ARG CB C 35 33.790 33.790 33.842 -0.052 25762 3055 1 5 . 1 1 35 35 ARG H H 35 9.104 9.104 9.202 -0.098 25762 3056 1 5 . 1 1 36 36 GLU N N 36 122.259 122.259 122.931 -0.672 25762 3057 1 5 . 1 1 36 36 GLU HA H 36 5.160 5.160 5.456 -0.296 25762 3058 1 5 . 1 1 36 36 GLU C C 36 175.960 175.960 175.836 0.124 25762 3059 1 5 . 1 1 36 36 GLU CA C 36 55.209 55.209 54.287 0.922 25762 3060 1 5 . 1 1 36 36 GLU CB C 36 32.652 32.652 31.894 0.758 25762 3061 1 5 . 1 1 36 36 GLU H H 36 8.750 8.750 8.576 0.174 25762 3062 1 5 . 1 1 37 37 GLY N N 37 116.895 116.895 110.397 6.498 25762 3063 1 5 . 1 1 37 37 GLY C C 37 173.097 173.097 172.748 0.349 25762 3064 1 5 . 1 1 37 37 GLY CA C 37 44.195 44.195 43.292 0.903 25762 3065 1 5 . 1 1 37 37 GLY H H 37 9.479 9.479 8.933 0.546 25762 3066 1 5 . 1 1 38 38 THR N N 38 114.848 114.848 112.701 2.147 25762 3067 1 5 . 1 1 38 38 THR HA H 38 5.540 5.540 5.423 0.117 25762 3068 1 5 . 1 1 38 38 THR C C 38 173.004 173.004 172.885 0.119 25762 3069 1 5 . 1 1 38 38 THR CA C 38 59.751 59.751 60.019 -0.268 25762 3070 1 5 . 1 1 38 38 THR CB C 38 72.666 72.666 72.168 0.498 25762 3071 1 5 . 1 1 38 38 THR H H 38 8.485 8.485 7.766 0.719 25762 3072 1 5 . 1 1 39 39 ARG N N 39 119.072 119.072 120.378 -1.306 25762 3073 1 5 . 1 1 39 39 ARG HA H 39 4.640 4.640 4.810 -0.170 25762 3074 1 5 . 1 1 39 39 ARG C C 39 174.649 174.649 173.713 0.936 25762 3075 1 5 . 1 1 39 39 ARG CA C 39 54.587 54.587 54.724 -0.137 25762 3076 1 5 . 1 1 39 39 ARG CB C 39 33.285 33.285 33.320 -0.035 25762 3077 1 5 . 1 1 39 39 ARG H H 39 8.231 8.231 8.917 -0.686 25762 3078 1 5 . 1 1 40 40 THR N N 40 111.009 111.009 115.380 -4.371 25762 3079 1 5 . 1 1 40 40 THR HA H 40 4.440 4.440 4.611 -0.171 25762 3080 1 5 . 1 1 40 40 THR C C 40 173.890 173.890 173.671 0.219 25762 3081 1 5 . 1 1 40 40 THR CA C 40 60.431 60.431 59.760 0.671 25762 3082 1 5 . 1 1 40 40 THR CB C 40 71.163 71.163 71.606 -0.443 25762 3083 1 5 . 1 1 40 40 THR H H 40 8.097 8.097 8.107 -0.010 25762 3084 1 5 . 1 1 41 41 GLY N N 41 110.094 110.094 108.526 1.568 25762 3085 1 5 . 1 1 41 41 GLY C C 41 174.489 174.489 175.163 -0.674 25762 3086 1 5 . 1 1 41 41 GLY CA C 41 45.487 45.487 44.082 1.405 25762 3087 1 5 . 1 1 41 41 GLY H H 41 8.146 8.146 8.283 -0.137 25762 3088 1 5 . 1 1 42 42 ALA N N 42 130.030 130.030 121.815 8.215 25762 3089 1 5 . 1 1 42 42 ALA HA H 42 4.150 4.150 4.157 -0.007 25762 3090 1 5 . 1 1 42 42 ALA C C 42 179.063 179.063 178.214 0.849 25762 3091 1 5 . 1 1 42 42 ALA CA C 42 54.737 54.737 54.036 0.701 25762 3092 1 5 . 1 1 42 42 ALA CB C 42 19.258 19.258 18.721 0.536 25762 3093 1 5 . 1 1 42 42 ALA H H 42 8.844 8.844 8.511 0.333 25762 3094 1 5 . 1 1 43 43 GLU N N 43 116.721 116.721 116.231 0.490 25762 3095 1 5 . 1 1 43 43 GLU HA H 43 4.350 4.350 4.428 -0.078 25762 3096 1 5 . 1 1 43 43 GLU C C 43 175.825 175.825 175.111 0.714 25762 3097 1 5 . 1 1 43 43 GLU CA C 43 54.964 54.964 55.287 -0.323 25762 3098 1 5 . 1 1 43 43 GLU CB C 43 29.372 29.372 29.538 -0.166 25762 3099 1 5 . 1 1 43 43 GLU H H 43 9.070 9.070 8.298 0.772 25762 3100 1 5 . 1 1 44 44 CYS N N 44 120.031 120.031 119.624 0.407 25762 3101 1 5 . 1 1 44 44 CYS C C 44 174.887 174.887 174.691 0.196 25762 3102 1 5 . 1 1 44 44 CYS CA C 44 55.287 55.287 59.376 -4.089 25762 3103 1 5 . 1 1 44 44 CYS CB C 44 41.215 41.215 26.473 14.742 25762 3104 1 5 . 1 1 44 44 CYS H H 44 7.427 7.427 7.889 -0.462 25762 3105 1 5 . 1 1 45 45 LYS N N 45 127.192 127.192 125.836 1.356 25762 3106 1 5 . 1 1 45 45 LYS HA H 45 4.220 4.220 4.389 -0.169 25762 3107 1 5 . 1 1 45 45 LYS C C 45 176.464 176.464 175.646 0.818 25762 3108 1 5 . 1 1 45 45 LYS CA C 45 57.793 57.793 55.801 1.992 25762 3109 1 5 . 1 1 45 45 LYS CB C 45 32.251 32.251 34.072 -1.821 25762 3110 1 5 . 1 1 45 45 LYS H H 45 8.655 8.655 8.523 0.132 25762 3111 1 5 . 1 1 46 46 GLN N N 46 119.454 119.454 117.375 2.079 25762 3112 1 5 . 1 1 46 46 GLN HA H 46 4.690 4.690 4.037 0.653 25762 3113 1 5 . 1 1 46 46 GLN C C 46 175.524 175.524 174.908 0.616 25762 3114 1 5 . 1 1 46 46 GLN CA C 46 55.759 55.759 56.826 -1.067 25762 3115 1 5 . 1 1 46 46 GLN CB C 46 29.672 29.672 25.993 3.679 25762 3116 1 5 . 1 1 46 46 GLN H H 46 7.831 7.831 7.876 -0.045 25762 3117 1 5 . 1 1 47 47 THR N N 47 116.122 116.122 118.519 -2.397 25762 3118 1 5 . 1 1 47 47 THR HA H 47 4.701 4.701 4.479 0.222 25762 3119 1 5 . 1 1 47 47 THR C C 47 173.458 173.458 173.359 0.099 25762 3120 1 5 . 1 1 47 47 THR CA C 47 61.693 61.693 61.797 -0.104 25762 3121 1 5 . 1 1 47 47 THR CB C 47 69.773 69.773 69.687 0.086 25762 3122 1 5 . 1 1 47 47 THR H H 47 8.633 8.633 8.906 -0.273 25762 3123 1 5 . 1 1 48 48 MET N N 48 121.378 121.378 124.625 -3.247 25762 3124 1 5 . 1 1 48 48 MET HA H 48 5.610 5.610 5.160 0.450 25762 3125 1 5 . 1 1 48 48 MET C C 48 174.850 174.850 175.683 -0.833 25762 3126 1 5 . 1 1 48 48 MET CA C 48 55.321 55.321 54.431 0.890 25762 3127 1 5 . 1 1 48 48 MET CB C 48 36.529 36.529 36.266 0.263 25762 3128 1 5 . 1 1 48 48 MET H H 48 7.838 7.838 8.780 -0.942 25762 3129 1 5 . 1 1 49 49 LYS N N 49 123.748 123.748 122.875 0.873 25762 3130 1 5 . 1 1 49 49 LYS HA H 49 4.560 4.560 4.854 -0.294 25762 3131 1 5 . 1 1 49 49 LYS C C 49 173.773 173.773 174.660 -0.887 25762 3132 1 5 . 1 1 49 49 LYS CA C 49 55.899 55.899 56.113 -0.214 25762 3133 1 5 . 1 1 49 49 LYS CB C 49 36.032 36.032 35.835 0.197 25762 3134 1 5 . 1 1 49 49 LYS H H 49 8.539 8.539 9.154 -0.615 25762 3135 1 5 . 1 1 50 50 THR N N 50 117.276 117.276 121.831 -4.555 25762 3136 1 5 . 1 1 50 50 THR HA H 50 5.330 5.330 5.461 -0.131 25762 3137 1 5 . 1 1 50 50 THR C C 50 174.047 174.047 173.062 0.985 25762 3138 1 5 . 1 1 50 50 THR CA C 50 61.169 61.169 61.282 -0.113 25762 3139 1 5 . 1 1 50 50 THR CB C 50 71.019 71.019 71.017 0.001 25762 3140 1 5 . 1 1 50 50 THR H H 50 8.416 8.416 8.406 0.010 25762 3141 1 5 . 1 1 51 51 GLN N N 51 123.996 123.996 123.858 0.138 25762 3142 1 5 . 1 1 51 51 GLN HA H 51 4.680 4.680 4.759 -0.079 25762 3143 1 5 . 1 1 51 51 GLN C C 51 174.453 174.453 174.194 0.259 25762 3144 1 5 . 1 1 51 51 GLN CA C 51 54.079 54.079 54.285 -0.206 25762 3145 1 5 . 1 1 51 51 GLN CB C 51 34.352 34.352 33.830 0.522 25762 3146 1 5 . 1 1 51 51 GLN H H 51 9.034 9.034 9.187 -0.153 25762 3147 1 5 . 1 1 52 52 ARG N N 52 124.759 124.759 121.179 3.580 25762 3148 1 5 . 1 1 52 52 ARG HA H 52 4.600 4.600 4.877 -0.277 25762 3149 1 5 . 1 1 52 52 ARG C C 52 174.978 174.978 176.030 -1.052 25762 3150 1 5 . 1 1 52 52 ARG CA C 52 56.600 56.600 55.820 0.780 25762 3151 1 5 . 1 1 52 52 ARG CB C 52 30.812 30.812 30.455 0.357 25762 3152 1 5 . 1 1 52 52 ARG H H 52 8.520 8.520 8.397 0.123 25762 3153 1 5 . 1 1 53 53 CYS N N 53 120.158 120.158 123.605 -3.447 25762 3154 1 5 . 1 1 53 53 CYS HA H 53 4.130 4.130 4.483 -0.353 25762 3155 1 5 . 1 1 53 53 CYS C C 53 170.755 170.755 174.350 -3.595 25762 3156 1 5 . 1 1 53 53 CYS CA C 53 54.574 54.574 58.530 -3.956 25762 3157 1 5 . 1 1 53 53 CYS CB C 53 47.178 47.178 28.701 18.477 25762 3158 1 5 . 1 1 53 53 CYS H H 53 8.167 8.167 8.579 -0.412 25762 3159 1 5 . 1 1 54 54 LYS N N 54 120.283 120.283 121.184 -0.901 25762 3160 1 5 . 1 1 54 54 LYS HA H 54 4.840 4.840 4.566 0.274 25762 3161 1 5 . 1 1 54 54 LYS C C 54 175.166 175.166 175.198 -0.032 25762 3162 1 5 . 1 1 54 54 LYS CA C 54 55.611 55.611 55.785 -0.174 25762 3163 1 5 . 1 1 54 54 LYS CB C 54 36.066 36.066 33.886 2.180 25762 3164 1 5 . 1 1 54 54 LYS H H 54 8.489 8.489 8.409 0.080 25762 3165 1 5 . 1 1 55 55 ILE N N 55 126.794 126.794 124.671 2.123 25762 3166 1 5 . 1 1 55 55 ILE HA H 55 4.600 4.600 4.562 0.038 25762 3167 1 5 . 1 1 55 55 ILE CA C 55 57.299 57.299 58.510 -1.211 25762 3168 1 5 . 1 1 55 55 ILE CB C 55 41.759 41.759 39.202 2.557 25762 3169 1 5 . 1 1 55 55 ILE H H 55 8.673 8.673 8.469 0.204 25762 3170 1 5 . 1 1 56 56 PRO HA H 56 4.360 4.360 4.354 0.006 25762 3171 1 5 . 1 1 56 56 PRO C C 56 176.748 176.748 177.533 -0.785 25762 3172 1 5 . 1 1 56 56 PRO CA C 56 63.790 63.790 64.399 -0.609 25762 3173 1 5 . 1 1 56 56 PRO CB C 56 32.200 32.200 31.970 0.230 25762 3174 1 5 . 1 1 57 57 CYS N N 57 121.411 121.411 110.211 11.200 25762 3175 1 5 . 1 1 57 57 CYS HA H 57 4.160 4.160 4.047 0.113 25762 3176 1 5 . 1 1 57 57 CYS C C 57 174.867 174.867 174.020 0.847 25762 3177 1 5 . 1 1 57 57 CYS CA C 57 54.490 54.490 59.498 -5.008 25762 3178 1 5 . 1 1 57 57 CYS CB C 57 43.090 43.090 25.570 17.520 25762 3179 1 5 . 1 1 57 57 CYS H H 57 8.782 8.782 8.473 0.309 25762 3180 1 5 . 1 1 58 58 ASN N N 58 120.918 120.918 118.594 2.324 25762 3181 1 5 . 1 1 58 58 ASN HA H 58 4.620 4.620 4.614 0.006 25762 3182 1 5 . 1 1 58 58 ASN C C 58 175.129 175.129 175.214 -0.085 25762 3183 1 5 . 1 1 58 58 ASN CA C 58 53.832 53.832 53.449 0.383 25762 3184 1 5 . 1 1 58 58 ASN CB C 58 38.634 38.634 38.654 -0.020 25762 3185 1 5 . 1 1 58 58 ASN H H 58 8.551 8.551 8.068 0.483 25762 3186 1 5 . 1 1 59 59 TRP N N 59 121.791 121.791 118.966 2.825 25762 3187 1 5 . 1 1 59 59 TRP HA H 59 4.604 4.604 4.473 0.131 25762 3188 1 5 . 1 1 59 59 TRP C C 59 176.374 176.374 176.185 0.189 25762 3189 1 5 . 1 1 59 59 TRP CA C 59 57.605 57.605 57.694 -0.089 25762 3190 1 5 . 1 1 59 59 TRP CB C 59 29.487 29.487 27.468 2.019 25762 3191 1 5 . 1 1 59 59 TRP H H 59 8.010 8.010 7.968 0.042 25762 3192 1 5 . 1 1 60 60 LYS N N 60 122.289 122.289 117.439 4.850 25762 3193 1 5 . 1 1 60 60 LYS HA H 60 4.070 4.070 4.415 -0.345 25762 3194 1 5 . 1 1 60 60 LYS C C 60 176.685 176.685 175.697 0.988 25762 3195 1 5 . 1 1 60 60 LYS CA C 60 56.926 56.926 55.588 1.338 25762 3196 1 5 . 1 1 60 60 LYS CB C 60 32.877 32.877 33.534 -0.657 25762 3197 1 5 . 1 1 60 60 LYS H H 60 7.751 7.751 8.198 -0.447 25762 3198 1 5 . 1 1 61 61 LYS N N 61 121.691 121.691 122.390 -0.699 25762 3199 1 5 . 1 1 61 61 LYS HA H 61 4.160 4.160 4.684 -0.524 25762 3200 1 5 . 1 1 61 61 LYS C C 61 176.731 176.731 175.730 1.001 25762 3201 1 5 . 1 1 61 61 LYS CA C 61 56.804 56.804 55.794 1.010 25762 3202 1 5 . 1 1 61 61 LYS CB C 61 32.910 32.910 32.641 0.269 25762 3203 1 5 . 1 1 61 61 LYS H H 61 7.963 7.963 7.691 0.272 25762 3204 1 5 . 1 1 62 62 GLN N N 62 120.611 120.611 122.131 -1.520 25762 3205 1 5 . 1 1 62 62 GLN HA H 62 4.240 4.240 4.420 -0.180 25762 3206 1 5 . 1 1 62 62 GLN C C 62 175.696 175.696 174.092 1.604 25762 3207 1 5 . 1 1 62 62 GLN CA C 62 56.416 56.416 55.168 1.248 25762 3208 1 5 . 1 1 62 62 GLN CB C 62 29.722 29.722 30.410 -0.688 25762 3209 1 5 . 1 1 62 62 GLN H H 62 8.177 8.177 8.808 -0.631 25762 3210 1 5 . 1 1 63 63 PHE N N 63 119.964 119.964 122.941 -2.977 25762 3211 1 5 . 1 1 63 63 PHE HA H 63 4.750 4.750 4.961 -0.211 25762 3212 1 5 . 1 1 63 63 PHE C C 63 175.958 175.958 176.643 -0.685 25762 3213 1 5 . 1 1 63 63 PHE CA C 63 57.339 57.339 57.730 -0.391 25762 3214 1 5 . 1 1 63 63 PHE CB C 63 39.813 39.813 40.005 -0.192 25762 3215 1 5 . 1 1 63 63 PHE H H 63 7.990 7.990 8.855 -0.865 25762 3216 1 5 . 1 1 64 64 GLY N N 64 110.674 110.674 111.214 -0.540 25762 3217 1 5 . 1 1 64 64 GLY C C 64 174.297 174.297 172.948 1.349 25762 3218 1 5 . 1 1 64 64 GLY CA C 64 45.306 45.306 44.967 0.339 25762 3219 1 5 . 1 1 64 64 GLY H H 64 8.427 8.427 8.235 0.192 25762 3220 1 5 . 1 1 65 65 ALA N N 65 124.213 124.213 121.294 2.919 25762 3221 1 5 . 1 1 65 65 ALA HA H 65 4.260 4.260 4.684 -0.424 25762 3222 1 5 . 1 1 65 65 ALA C C 65 178.028 178.028 178.073 -0.045 25762 3223 1 5 . 1 1 65 65 ALA CA C 65 53.400 53.400 52.291 1.109 25762 3224 1 5 . 1 1 65 65 ALA CB C 65 19.372 19.372 19.541 -0.169 25762 3225 1 5 . 1 1 65 65 ALA H H 65 8.316 8.316 8.261 0.055 25762 3226 1 5 . 1 1 66 66 GLU N N 66 117.489 117.489 118.775 -1.286 25762 3227 1 5 . 1 1 66 66 GLU HA H 66 4.240 4.240 4.337 -0.097 25762 3228 1 5 . 1 1 66 66 GLU C C 66 175.127 175.127 176.476 -1.349 25762 3229 1 5 . 1 1 66 66 GLU CA C 66 57.205 57.205 56.240 0.965 25762 3230 1 5 . 1 1 66 66 GLU CB C 66 29.924 29.924 29.795 0.129 25762 3231 1 5 . 1 1 66 66 GLU H H 66 8.697 8.697 8.695 0.002 25762 3232 1 5 . 1 1 67 67 CYS N N 67 119.305 119.305 115.423 3.882 25762 3233 1 5 . 1 1 67 67 CYS HA H 67 4.310 4.310 4.446 -0.136 25762 3234 1 5 . 1 1 67 67 CYS C C 67 172.436 172.436 173.916 -1.480 25762 3235 1 5 . 1 1 67 67 CYS CA C 67 53.300 53.300 56.444 -3.144 25762 3236 1 5 . 1 1 67 67 CYS CB C 67 41.122 41.122 28.512 12.611 25762 3237 1 5 . 1 1 67 67 CYS H H 67 7.758 7.758 7.452 0.306 25762 3238 1 5 . 1 1 68 68 LYS N N 68 123.248 123.248 122.066 1.182 25762 3239 1 5 . 1 1 68 68 LYS HA H 68 4.680 4.680 4.514 0.166 25762 3240 1 5 . 1 1 68 68 LYS C C 68 174.804 174.804 174.340 0.464 25762 3241 1 5 . 1 1 68 68 LYS CA C 68 54.009 54.009 55.795 -1.786 25762 3242 1 5 . 1 1 68 68 LYS CB C 68 33.651 33.651 34.971 -1.320 25762 3243 1 5 . 1 1 68 68 LYS H H 68 8.174 8.174 8.176 -0.002 25762 3244 1 5 . 1 1 69 69 TYR N N 69 122.635 122.635 123.093 -0.458 25762 3245 1 5 . 1 1 69 69 TYR HA H 69 4.410 4.410 5.327 -0.917 25762 3246 1 5 . 1 1 69 69 TYR C C 69 174.602 174.602 175.403 -0.801 25762 3247 1 5 . 1 1 69 69 TYR CA C 69 58.204 58.204 56.402 1.802 25762 3248 1 5 . 1 1 69 69 TYR CB C 69 42.100 42.100 40.786 1.314 25762 3249 1 5 . 1 1 69 69 TYR H H 69 8.769 8.769 8.541 0.228 25762 3250 1 5 . 1 1 70 70 GLN N N 70 120.984 120.984 124.738 -3.754 25762 3251 1 5 . 1 1 70 70 GLN HA H 70 4.590 4.590 4.781 -0.191 25762 3252 1 5 . 1 1 70 70 GLN C C 70 175.634 175.634 174.933 0.701 25762 3253 1 5 . 1 1 70 70 GLN CA C 70 54.108 54.108 54.254 -0.146 25762 3254 1 5 . 1 1 70 70 GLN CB C 70 29.900 29.900 31.095 -1.195 25762 3255 1 5 . 1 1 70 70 GLN H H 70 8.573 8.573 8.466 0.107 25762 3256 1 5 . 1 1 71 71 PHE N N 71 127.389 127.389 123.858 3.531 25762 3257 1 5 . 1 1 71 71 PHE HA H 71 4.970 4.970 5.527 -0.556 25762 3258 1 5 . 1 1 71 71 PHE C C 71 177.149 177.149 175.352 1.797 25762 3259 1 5 . 1 1 71 71 PHE CA C 71 58.976 58.976 55.773 3.203 25762 3260 1 5 . 1 1 71 71 PHE CB C 71 40.837 40.837 39.740 1.097 25762 3261 1 5 . 1 1 71 71 PHE H H 71 9.255 9.255 8.680 0.575 25762 3262 1 5 . 1 1 72 72 GLN N N 72 121.514 121.514 123.233 -1.719 25762 3263 1 5 . 1 1 72 72 GLN HA H 72 4.440 4.440 4.713 -0.273 25762 3264 1 5 . 1 1 72 72 GLN C C 72 176.721 176.721 174.162 2.559 25762 3265 1 5 . 1 1 72 72 GLN CA C 72 54.707 54.707 53.880 0.827 25762 3266 1 5 . 1 1 72 72 GLN CB C 72 29.983 29.983 32.224 -2.240 25762 3267 1 5 . 1 1 72 72 GLN H H 72 8.273 8.273 9.314 -1.041 25762 3268 1 5 . 1 1 73 73 ALA N N 73 122.414 122.414 124.607 -2.193 25762 3269 1 5 . 1 1 73 73 ALA HA H 73 4.220 4.220 4.849 -0.629 25762 3270 1 5 . 1 1 73 73 ALA C C 73 178.776 178.776 176.669 2.107 25762 3271 1 5 . 1 1 73 73 ALA CA C 73 52.751 52.751 51.455 1.296 25762 3272 1 5 . 1 1 73 73 ALA CB C 73 19.559 19.559 19.033 0.526 25762 3273 1 5 . 1 1 73 73 ALA H H 73 8.293 8.293 8.698 -0.405 25762 3274 1 5 . 1 1 74 74 TRP N N 74 120.412 120.412 125.379 -4.967 25762 3275 1 5 . 1 1 74 74 TRP HA H 74 4.260 4.260 4.636 -0.376 25762 3276 1 5 . 1 1 74 74 TRP C C 74 178.290 178.290 175.500 2.790 25762 3277 1 5 . 1 1 74 74 TRP CA C 74 58.982 58.982 57.202 1.780 25762 3278 1 5 . 1 1 74 74 TRP CB C 74 30.633 30.633 29.812 0.821 25762 3279 1 5 . 1 1 74 74 TRP H H 74 8.136 8.136 8.596 -0.460 25762 3280 1 5 . 1 1 75 75 GLY N N 75 109.881 109.881 108.094 1.787 25762 3281 1 5 . 1 1 75 75 GLY C C 75 177.700 177.700 172.445 5.255 25762 3282 1 5 . 1 1 75 75 GLY CA C 75 44.287 44.287 45.137 -0.850 25762 3283 1 5 . 1 1 75 75 GLY H H 75 8.763 8.763 7.779 0.984 25762 3284 1 5 . 1 1 76 76 GLU N N 76 116.900 116.900 124.265 -7.365 25762 3285 1 5 . 1 1 76 76 GLU HA H 76 4.230 4.230 4.498 -0.268 25762 3286 1 5 . 1 1 76 76 GLU C C 76 177.770 177.770 176.683 1.087 25762 3287 1 5 . 1 1 76 76 GLU CA C 76 55.700 55.700 55.293 0.407 25762 3288 1 5 . 1 1 76 76 GLU CB C 76 30.600 30.600 31.303 -0.703 25762 3289 1 5 . 1 1 76 76 GLU H H 76 8.400 8.400 8.388 0.012 25762 3290 1 5 . 1 1 77 77 CYS N N 77 121.846 121.846 123.341 -1.495 25762 3291 1 5 . 1 1 77 77 CYS HA H 77 4.150 4.150 4.387 -0.237 25762 3292 1 5 . 1 1 77 77 CYS C C 77 174.117 174.117 174.425 -0.308 25762 3293 1 5 . 1 1 77 77 CYS CA C 77 56.706 56.706 58.462 -1.756 25762 3294 1 5 . 1 1 77 77 CYS CB C 77 41.056 41.056 25.360 15.696 25762 3295 1 5 . 1 1 77 77 CYS H H 77 8.980 8.980 8.872 0.108 25762 3296 1 5 . 1 1 78 78 ASP N N 78 131.728 131.728 123.298 8.430 25762 3297 1 5 . 1 1 78 78 ASP HA H 78 3.370 3.370 4.724 -1.354 25762 3298 1 5 . 1 1 78 78 ASP C C 78 176.890 176.890 177.001 -0.111 25762 3299 1 5 . 1 1 78 78 ASP CA C 78 53.492 53.492 54.666 -1.174 25762 3300 1 5 . 1 1 78 78 ASP CB C 78 41.819 41.819 41.438 0.381 25762 3301 1 5 . 1 1 78 78 ASP H H 78 8.279 8.279 8.541 -0.262 25762 3302 1 5 . 1 1 79 79 LEU N N 79 127.191 127.191 126.982 0.209 25762 3303 1 5 . 1 1 79 79 LEU HA H 79 3.990 3.990 4.063 -0.073 25762 3304 1 5 . 1 1 79 79 LEU C C 79 178.627 178.627 178.123 0.504 25762 3305 1 5 . 1 1 79 79 LEU CA C 79 57.179 57.179 57.007 0.172 25762 3306 1 5 . 1 1 79 79 LEU CB C 79 41.642 41.642 41.710 -0.068 25762 3307 1 5 . 1 1 79 79 LEU H H 79 8.763 8.763 8.492 0.271 25762 3308 1 5 . 1 1 80 80 ASN N N 80 116.238 116.238 118.858 -2.620 25762 3309 1 5 . 1 1 80 80 ASN HA H 80 4.590 4.590 4.530 0.060 25762 3310 1 5 . 1 1 80 80 ASN C C 80 176.905 176.905 176.438 0.467 25762 3311 1 5 . 1 1 80 80 ASN CA C 80 55.800 55.800 55.398 0.402 25762 3312 1 5 . 1 1 80 80 ASN CB C 80 39.151 39.151 38.617 0.534 25762 3313 1 5 . 1 1 80 80 ASN H H 80 8.746 8.746 8.478 0.268 25762 3314 1 5 . 1 1 81 81 THR N N 81 108.459 108.459 109.288 -0.829 25762 3315 1 5 . 1 1 81 81 THR HA H 81 4.240 4.240 4.429 -0.189 25762 3316 1 5 . 1 1 81 81 THR C C 81 174.727 174.727 174.777 -0.050 25762 3317 1 5 . 1 1 81 81 THR CA C 81 61.540 61.540 61.621 -0.081 25762 3318 1 5 . 1 1 81 81 THR CB C 81 70.900 70.900 70.364 0.536 25762 3319 1 5 . 1 1 81 81 THR H H 81 7.666 7.666 7.393 0.273 25762 3320 1 5 . 1 1 82 82 ALA N N 82 122.870 122.870 123.691 -0.821 25762 3321 1 5 . 1 1 82 82 ALA HA H 82 3.820 3.820 4.050 -0.230 25762 3322 1 5 . 1 1 82 82 ALA C C 82 176.506 176.506 175.912 0.594 25762 3323 1 5 . 1 1 82 82 ALA CA C 82 53.603 53.603 53.395 0.208 25762 3324 1 5 . 1 1 82 82 ALA CB C 82 17.013 17.013 17.329 -0.317 25762 3325 1 5 . 1 1 82 82 ALA H H 82 8.687 8.687 8.366 0.321 25762 3326 1 5 . 1 1 83 83 LEU N N 83 117.374 117.374 115.956 1.418 25762 3327 1 5 . 1 1 83 83 LEU HA H 83 5.031 5.031 4.601 0.430 25762 3328 1 5 . 1 1 83 83 LEU C C 83 177.616 177.616 175.400 2.216 25762 3329 1 5 . 1 1 83 83 LEU CA C 83 54.098 54.098 53.191 0.907 25762 3330 1 5 . 1 1 83 83 LEU CB C 83 46.622 46.622 45.881 0.741 25762 3331 1 5 . 1 1 83 83 LEU H H 83 7.353 7.353 7.547 -0.194 25762 3332 1 5 . 1 1 84 84 LYS N N 84 122.053 122.053 118.473 3.580 25762 3333 1 5 . 1 1 84 84 LYS HA H 84 4.940 4.940 4.780 0.160 25762 3334 1 5 . 1 1 84 84 LYS C C 84 175.449 175.449 174.995 0.454 25762 3335 1 5 . 1 1 84 84 LYS CA C 84 54.287 54.287 55.575 -1.288 25762 3336 1 5 . 1 1 84 84 LYS CB C 84 36.060 36.060 35.872 0.188 25762 3337 1 5 . 1 1 84 84 LYS H H 84 9.043 9.043 8.722 0.321 25762 3338 1 5 . 1 1 85 85 THR N N 85 114.896 114.896 117.091 -2.195 25762 3339 1 5 . 1 1 85 85 THR HA H 85 5.820 5.820 5.241 0.579 25762 3340 1 5 . 1 1 85 85 THR C C 85 174.123 174.123 172.972 1.151 25762 3341 1 5 . 1 1 85 85 THR CA C 85 61.226 61.226 60.701 0.525 25762 3342 1 5 . 1 1 85 85 THR CB C 85 72.857 72.857 71.183 1.674 25762 3343 1 5 . 1 1 85 85 THR H H 85 9.011 9.011 8.620 0.391 25762 3344 1 5 . 1 1 86 86 ARG N N 86 123.804 123.804 126.756 -2.952 25762 3345 1 5 . 1 1 86 86 ARG C C 86 173.792 173.792 174.473 -0.681 25762 3346 1 5 . 1 1 86 86 ARG CA C 86 56.720 56.720 54.772 1.948 25762 3347 1 5 . 1 1 86 86 ARG CB C 86 33.185 33.185 34.302 -1.117 25762 3348 1 5 . 1 1 86 86 ARG H H 86 9.056 9.056 9.137 -0.081 25762 3349 1 5 . 1 1 87 87 THR N N 87 117.796 117.796 121.440 -3.644 25762 3350 1 5 . 1 1 87 87 THR HA H 87 5.270 5.270 5.291 -0.021 25762 3351 1 5 . 1 1 87 87 THR C C 87 173.939 173.939 173.184 0.755 25762 3352 1 5 . 1 1 87 87 THR CA C 87 61.003 61.003 61.249 -0.246 25762 3353 1 5 . 1 1 87 87 THR CB C 87 71.091 71.091 71.845 -0.754 25762 3354 1 5 . 1 1 87 87 THR H H 87 8.387 8.387 8.092 0.295 25762 3355 1 5 . 1 1 88 88 GLY N N 88 112.501 112.501 110.734 1.767 25762 3356 1 5 . 1 1 88 88 GLY C C 88 171.645 171.645 171.712 -0.067 25762 3357 1 5 . 1 1 88 88 GLY CA C 88 44.657 44.657 43.901 0.756 25762 3358 1 5 . 1 1 88 88 GLY H H 88 9.074 9.074 9.132 -0.058 25762 3359 1 5 . 1 1 89 89 SER N N 89 115.802 115.802 115.349 0.453 25762 3360 1 5 . 1 1 89 89 SER HA H 89 5.260 5.260 5.187 0.073 25762 3361 1 5 . 1 1 89 89 SER C C 89 174.767 174.767 173.639 1.128 25762 3362 1 5 . 1 1 89 89 SER CA C 89 56.512 56.512 55.828 0.684 25762 3363 1 5 . 1 1 89 89 SER CB C 89 65.434 65.434 65.978 -0.544 25762 3364 1 5 . 1 1 89 89 SER H H 89 8.217 8.217 8.258 -0.041 25762 3365 1 5 . 1 1 90 90 LEU N N 90 128.595 128.595 127.030 1.565 25762 3366 1 5 . 1 1 90 90 LEU HA H 90 3.420 3.420 4.941 -1.521 25762 3367 1 5 . 1 1 90 90 LEU C C 90 176.399 176.399 177.172 -0.773 25762 3368 1 5 . 1 1 90 90 LEU CA C 90 56.558 56.558 55.422 1.136 25762 3369 1 5 . 1 1 90 90 LEU CB C 90 43.006 43.006 41.961 1.045 25762 3370 1 5 . 1 1 90 90 LEU H H 90 8.555 8.555 8.854 -0.299 25762 3371 1 5 . 1 1 91 91 LYS N N 91 128.646 128.646 127.061 1.585 25762 3372 1 5 . 1 1 91 91 LYS HA H 91 4.330 4.330 4.457 -0.127 25762 3373 1 5 . 1 1 91 91 LYS C C 91 176.318 176.318 176.950 -0.632 25762 3374 1 5 . 1 1 91 91 LYS CA C 91 56.103 56.103 56.541 -0.438 25762 3375 1 5 . 1 1 91 91 LYS CB C 91 33.565 33.565 33.613 -0.048 25762 3376 1 5 . 1 1 91 91 LYS H H 91 9.065 9.065 8.343 0.722 25762 3377 1 5 . 1 1 92 92 ARG N N 92 118.834 118.834 118.921 -0.087 25762 3378 1 5 . 1 1 92 92 ARG HA H 92 4.220 4.220 4.409 -0.189 25762 3379 1 5 . 1 1 92 92 ARG C C 92 173.259 173.259 173.756 -0.497 25762 3380 1 5 . 1 1 92 92 ARG CA C 92 56.259 56.259 56.492 -0.233 25762 3381 1 5 . 1 1 92 92 ARG CB C 92 32.623 32.623 32.554 0.069 25762 3382 1 5 . 1 1 92 92 ARG H H 92 7.641 7.641 7.997 -0.356 25762 3383 1 5 . 1 1 93 93 ALA N N 93 127.574 127.574 126.932 0.642 25762 3384 1 5 . 1 1 93 93 ALA HA H 93 4.870 4.870 4.535 0.335 25762 3385 1 5 . 1 1 93 93 ALA C C 93 177.037 177.037 175.934 1.103 25762 3386 1 5 . 1 1 93 93 ALA CA C 93 50.949 50.949 51.203 -0.254 25762 3387 1 5 . 1 1 93 93 ALA CB C 93 21.664 21.664 20.939 0.725 25762 3388 1 5 . 1 1 93 93 ALA H H 93 8.451 8.451 8.278 0.173 25762 3389 1 5 . 1 1 94 94 LEU N N 94 123.296 123.296 121.593 1.703 25762 3390 1 5 . 1 1 94 94 LEU HA H 94 4.250 4.250 4.464 -0.214 25762 3391 1 5 . 1 1 94 94 LEU C C 94 177.256 177.256 178.356 -1.100 25762 3392 1 5 . 1 1 94 94 LEU CA C 94 55.137 55.137 53.824 1.313 25762 3393 1 5 . 1 1 94 94 LEU CB C 94 42.697 42.697 43.114 -0.417 25762 3394 1 5 . 1 1 94 94 LEU H H 94 8.654 8.654 8.377 0.277 25762 3395 1 5 . 1 1 95 95 HIS N N 95 116.413 116.413 118.754 -2.341 25762 3396 1 5 . 1 1 95 95 HIS HA H 95 4.430 4.430 4.466 -0.036 25762 3397 1 5 . 1 1 95 95 HIS C C 95 174.801 174.801 175.000 -0.199 25762 3398 1 5 . 1 1 95 95 HIS CA C 95 56.400 56.400 57.578 -1.177 25762 3399 1 5 . 1 1 95 95 HIS CB C 95 28.218 28.218 30.178 -1.960 25762 3400 1 5 . 1 1 95 95 HIS H H 95 8.642 8.642 8.525 0.117 25762 3401 1 5 . 1 1 96 96 ASN N N 96 115.824 115.824 117.172 -1.348 25762 3402 1 5 . 1 1 96 96 ASN HA H 96 4.450 4.450 4.771 -0.321 25762 3403 1 5 . 1 1 96 96 ASN C C 96 175.026 175.026 173.763 1.263 25762 3404 1 5 . 1 1 96 96 ASN CA C 96 53.692 53.692 52.846 0.846 25762 3405 1 5 . 1 1 96 96 ASN CB C 96 38.056 38.056 38.598 -0.542 25762 3406 1 5 . 1 1 96 96 ASN H H 96 8.461 8.461 8.108 0.353 25762 3407 1 5 . 1 1 97 97 ALA N N 97 122.558 122.558 120.282 2.276 25762 3408 1 5 . 1 1 97 97 ALA HA H 97 4.130 4.130 4.421 -0.291 25762 3409 1 5 . 1 1 97 97 ALA C C 97 177.337 177.337 174.893 2.444 25762 3410 1 5 . 1 1 97 97 ALA CA C 97 53.430 53.430 52.453 0.977 25762 3411 1 5 . 1 1 97 97 ALA CB C 97 20.204 20.204 20.378 -0.174 25762 3412 1 5 . 1 1 97 97 ALA H H 97 7.791 7.791 7.193 0.598 25762 3413 1 5 . 1 1 98 98 GLU N N 98 120.504 120.504 122.143 -1.639 25762 3414 1 5 . 1 1 98 98 GLU HA H 98 4.320 4.320 4.508 -0.188 25762 3415 1 5 . 1 1 98 98 GLU C C 98 176.154 176.154 175.505 0.649 25762 3416 1 5 . 1 1 98 98 GLU CA C 98 56.630 56.630 55.894 0.736 25762 3417 1 5 . 1 1 98 98 GLU CB C 98 29.496 29.496 30.380 -0.884 25762 3418 1 5 . 1 1 98 98 GLU H H 98 8.478 8.478 8.144 0.334 25762 3419 1 5 . 1 1 99 99 CYS N N 99 122.399 122.399 120.458 1.941 25762 3420 1 5 . 1 1 99 99 CYS HA H 99 4.820 4.820 4.616 0.204 25762 3421 1 5 . 1 1 99 99 CYS C C 99 174.711 174.711 174.394 0.317 25762 3422 1 5 . 1 1 99 99 CYS CA C 99 53.985 53.985 57.760 -3.775 25762 3423 1 5 . 1 1 99 99 CYS CB C 99 44.177 44.177 30.703 13.474 25762 3424 1 5 . 1 1 99 99 CYS H H 99 7.978 7.978 8.438 -0.460 25762 3425 1 5 . 1 1 100 100 GLN N N 100 123.539 123.539 124.353 -0.814 25762 3426 1 5 . 1 1 100 100 GLN HA H 100 4.300 4.300 4.339 -0.039 25762 3427 1 5 . 1 1 100 100 GLN C C 100 178.317 178.317 175.915 2.402 25762 3428 1 5 . 1 1 100 100 GLN CA C 100 56.157 56.157 55.475 0.682 25762 3429 1 5 . 1 1 100 100 GLN CB C 100 29.303 29.303 29.460 -0.157 25762 3430 1 5 . 1 1 100 100 GLN H H 100 8.864 8.864 8.675 0.189 25762 3431 1 5 . 1 1 101 101 LYS N N 101 125.153 125.153 118.519 6.634 25762 3432 1 5 . 1 1 101 101 LYS HA H 101 4.020 4.020 4.194 -0.174 25762 3433 1 5 . 1 1 101 101 LYS C C 101 176.669 176.669 176.050 0.619 25762 3434 1 5 . 1 1 101 101 LYS CA C 101 59.876 59.876 58.023 1.853 25762 3435 1 5 . 1 1 101 101 LYS CB C 101 32.760 32.760 32.676 0.084 25762 3436 1 5 . 1 1 101 101 LYS H H 101 9.063 9.063 8.604 0.459 25762 3437 1 5 . 1 1 102 102 THR N N 102 111.208 111.208 111.751 -0.543 25762 3438 1 5 . 1 1 102 102 THR HA H 102 5.260 5.260 4.913 0.347 25762 3439 1 5 . 1 1 102 102 THR C C 102 173.097 173.097 172.179 0.918 25762 3440 1 5 . 1 1 102 102 THR CA C 102 59.922 59.922 59.762 0.160 25762 3441 1 5 . 1 1 102 102 THR CB C 102 71.788 71.788 70.882 0.906 25762 3442 1 5 . 1 1 102 102 THR H H 102 7.706 7.706 7.228 0.478 25762 3443 1 5 . 1 1 103 103 VAL N N 103 117.395 117.395 119.776 -2.381 25762 3444 1 5 . 1 1 103 103 VAL HA H 103 4.510 4.510 4.619 -0.109 25762 3445 1 5 . 1 1 103 103 VAL C C 103 174.132 174.132 173.736 0.396 25762 3446 1 5 . 1 1 103 103 VAL CA C 103 59.538 59.538 59.199 0.339 25762 3447 1 5 . 1 1 103 103 VAL CB C 103 35.523 35.523 35.177 0.346 25762 3448 1 5 . 1 1 103 103 VAL H H 103 8.192 8.192 8.926 -0.734 25762 3449 1 5 . 1 1 104 104 THR N N 104 117.862 117.862 119.939 -2.077 25762 3450 1 5 . 1 1 104 104 THR HA H 104 5.098 5.098 5.158 -0.060 25762 3451 1 5 . 1 1 104 104 THR C C 104 173.646 173.646 174.003 -0.357 25762 3452 1 5 . 1 1 104 104 THR CA C 104 61.458 61.458 61.929 -0.471 25762 3453 1 5 . 1 1 104 104 THR CB C 104 71.177 71.177 70.571 0.606 25762 3454 1 5 . 1 1 104 104 THR H H 104 8.332 8.332 8.315 0.017 25762 3455 1 5 . 1 1 105 105 ILE N N 105 124.431 124.431 122.545 1.886 25762 3456 1 5 . 1 1 105 105 ILE HA H 105 4.670 4.670 4.747 -0.077 25762 3457 1 5 . 1 1 105 105 ILE C C 105 174.296 174.296 173.983 0.313 25762 3458 1 5 . 1 1 105 105 ILE CA C 105 59.695 59.695 59.711 -0.016 25762 3459 1 5 . 1 1 105 105 ILE CB C 105 41.116 41.116 41.426 -0.310 25762 3460 1 5 . 1 1 105 105 ILE H H 105 8.868 8.868 9.067 -0.199 25762 3461 1 5 . 1 1 106 106 SER N N 106 118.430 118.430 118.733 -0.303 25762 3462 1 5 . 1 1 106 106 SER HA H 106 3.760 3.760 5.162 -1.402 25762 3463 1 5 . 1 1 106 106 SER C C 106 173.441 173.441 173.653 -0.212 25762 3464 1 5 . 1 1 106 106 SER CA C 106 56.877 56.877 56.214 0.663 25762 3465 1 5 . 1 1 106 106 SER CB C 106 67.115 67.115 65.163 1.952 25762 3466 1 5 . 1 1 106 106 SER H H 106 8.559 8.559 8.415 0.144 25762 3467 1 5 . 1 1 107 107 LYS N N 107 121.976 121.976 123.533 -1.557 25762 3468 1 5 . 1 1 107 107 LYS CA C 107 53.625 53.625 53.030 0.595 25762 3469 1 5 . 1 1 107 107 LYS CB C 107 35.515 35.515 34.586 0.929 25762 3470 1 5 . 1 1 107 107 LYS H H 107 9.060 9.060 8.978 0.082 25762 3471 1 5 . 1 1 108 108 PRO HA H 108 4.940 4.940 4.430 0.510 25762 3472 1 5 . 1 1 108 108 PRO C C 108 176.741 176.741 175.806 0.935 25762 3473 1 5 . 1 1 108 108 PRO CA C 108 62.870 62.870 63.289 -0.419 25762 3474 1 5 . 1 1 108 108 PRO CB C 108 32.590 32.590 31.777 0.812 25762 3475 1 5 . 1 1 109 109 CYS N N 109 118.313 118.313 122.236 -3.923 25762 3476 1 5 . 1 1 109 109 CYS HA H 109 4.501 4.501 4.593 -0.092 25762 3477 1 5 . 1 1 109 109 CYS C C 109 173.369 173.369 174.942 -1.573 25762 3478 1 5 . 1 1 109 109 CYS CA C 109 55.950 55.950 58.340 -2.390 25762 3479 1 5 . 1 1 109 109 CYS CB C 109 44.620 44.620 29.244 15.376 25762 3480 1 5 . 1 1 109 109 CYS H H 109 8.237 8.237 8.463 -0.226 25762 3481 1 5 . 1 1 110 110 GLY N N 110 108.677 108.677 112.062 -3.385 25762 3482 1 5 . 1 1 110 110 GLY C C 110 173.455 173.455 173.225 0.230 25762 3483 1 5 . 1 1 110 110 GLY CA C 110 45.276 45.276 45.606 -0.330 25762 3484 1 5 . 1 1 110 110 GLY H H 110 8.220 8.220 8.520 -0.300 25762 3485 1 5 . 1 1 111 111 LYS N N 111 121.361 121.361 120.191 1.170 25762 3486 1 5 . 1 1 111 111 LYS HA H 111 4.270 4.270 4.556 -0.285 25762 3487 1 5 . 1 1 111 111 LYS C C 111 176.597 176.597 176.181 0.416 25762 3488 1 5 . 1 1 111 111 LYS CA C 111 56.420 56.420 55.447 0.973 25762 3489 1 5 . 1 1 111 111 LYS CB C 111 33.470 33.470 33.811 -0.341 25762 3490 1 5 . 1 1 111 111 LYS H H 111 8.239 8.239 8.044 0.195 25762 3491 1 5 . 1 1 112 112 LEU N N 112 123.971 123.971 121.871 2.100 25762 3492 1 5 . 1 1 112 112 LEU HA H 112 4.410 4.410 4.108 0.302 25762 3493 1 5 . 1 1 112 112 LEU C C 112 177.404 177.404 175.295 2.109 25762 3494 1 5 . 1 1 112 112 LEU CA C 112 55.150 55.150 55.232 -0.082 25762 3495 1 5 . 1 1 112 112 LEU CB C 112 42.349 42.349 42.014 0.335 25762 3496 1 5 . 1 1 112 112 LEU H H 112 8.340 8.340 8.340 -0.000 25762 3497 1 5 . 1 1 113 113 THR N N 113 116.653 116.653 114.873 1.780 25762 3498 1 5 . 1 1 113 113 THR HA H 113 4.310 4.310 4.521 -0.211 25762 3499 1 5 . 1 1 113 113 THR C C 113 174.082 174.082 174.031 0.051 25762 3500 1 5 . 1 1 113 113 THR CA C 113 61.676 61.676 61.290 0.386 25762 3501 1 5 . 1 1 113 113 THR CB C 113 69.090 69.090 70.100 -1.010 25762 3502 1 5 . 1 1 113 113 THR H H 113 8.150 8.150 7.974 0.176 25762 3503 1 5 . 1 1 114 114 LYS N N 114 125.770 125.770 125.468 0.302 25762 3504 1 5 . 1 1 114 114 LYS CA C 114 54.157 54.157 53.914 0.243 25762 3505 1 5 . 1 1 114 114 LYS CB C 114 32.820 32.820 32.466 0.354 25762 3506 1 5 . 1 1 114 114 LYS H H 114 8.290 8.290 8.447 -0.157 25762 3507 1 5 . 1 1 115 115 PRO HA H 115 4.350 4.350 4.541 -0.191 25762 3508 1 5 . 1 1 115 115 PRO C C 115 176.679 176.679 177.014 -0.335 25762 3509 1 5 . 1 1 115 115 PRO CA C 115 62.960 62.960 62.512 0.448 25762 3510 1 5 . 1 1 115 115 PRO CB C 115 31.860 31.860 32.894 -1.034 25762 3511 1 5 . 1 1 116 116 LYS N N 116 123.818 123.818 121.857 1.961 25762 3512 1 5 . 1 1 116 116 LYS CA C 116 54.338 54.338 56.872 -2.534 25762 3513 1 5 . 1 1 116 116 LYS CB C 116 32.913 32.913 32.081 0.832 25762 3514 1 5 . 1 1 116 116 LYS H H 116 8.441 8.441 8.628 -0.187 25762 3515 1 5 . 1 1 117 117 PRO HA H 117 4.403 4.403 4.596 -0.193 25762 3516 1 5 . 1 1 117 117 PRO C C 117 177.038 177.038 176.553 0.485 25762 3517 1 5 . 1 1 117 117 PRO CA C 117 63.360 63.360 62.588 0.772 25762 3518 1 5 . 1 1 117 117 PRO CB C 117 32.060 32.060 32.171 -0.111 25762 3519 1 5 . 1 1 118 118 GLN N N 118 121.596 121.596 120.698 0.898 25762 3520 1 5 . 1 1 118 118 GLN HA H 118 4.270 4.270 4.266 0.004 25762 3521 1 5 . 1 1 118 118 GLN C C 118 175.963 175.963 175.487 0.476 25762 3522 1 5 . 1 1 118 118 GLN CA C 118 55.916 55.916 56.157 -0.241 25762 3523 1 5 . 1 1 118 118 GLN CB C 118 29.743 29.743 28.764 0.979 25762 3524 1 5 . 1 1 118 118 GLN H H 118 8.510 8.510 8.659 -0.149 25762 3525 1 5 . 1 1 119 119 ALA N N 119 126.073 126.073 123.001 3.072 25762 3526 1 5 . 1 1 119 119 ALA HA H 119 4.270 4.270 4.526 -0.256 25762 3527 1 5 . 1 1 119 119 ALA C C 119 177.921 177.921 176.529 1.392 25762 3528 1 5 . 1 1 119 119 ALA CA C 119 52.765 52.765 50.961 1.804 25762 3529 1 5 . 1 1 119 119 ALA CB C 119 19.501 19.501 20.551 -1.050 25762 3530 1 5 . 1 1 119 119 ALA H H 119 8.389 8.389 7.380 1.009 25762 3531 1 5 . 1 1 120 120 GLU N N 120 121.107 121.107 121.538 -0.431 25762 3532 1 5 . 1 1 120 120 GLU HA H 120 4.260 4.260 4.378 -0.118 25762 3533 1 5 . 1 1 120 120 GLU C C 120 176.819 176.819 175.930 0.889 25762 3534 1 5 . 1 1 120 120 GLU CA C 120 56.680 56.680 55.900 0.780 25762 3535 1 5 . 1 1 120 120 GLU CB C 120 30.482 30.482 28.407 2.075 25762 3536 1 5 . 1 1 120 120 GLU H H 120 8.441 8.441 8.627 -0.186 25762 3537 1 5 . 1 1 121 121 SER N N 121 117.791 117.791 120.211 -2.420 25762 3538 1 5 . 1 1 121 121 SER HA H 121 4.410 4.410 4.521 -0.111 25762 3539 1 5 . 1 1 121 121 SER C C 121 174.892 174.892 174.319 0.573 25762 3540 1 5 . 1 1 121 121 SER CA C 121 58.548 58.548 58.098 0.450 25762 3541 1 5 . 1 1 121 121 SER CB C 121 63.668 63.668 63.181 0.487 25762 3542 1 5 . 1 1 121 121 SER H H 121 8.379 8.379 8.187 0.192 25762 3543 1 5 . 1 1 122 122 LYS N N 122 123.955 123.955 126.525 -2.570 25762 3544 1 5 . 1 1 122 122 LYS CA C 122 56.474 56.474 55.733 0.741 25762 3545 1 5 . 1 1 122 122 LYS CB C 122 33.335 33.335 33.807 -0.472 25762 3546 1 5 . 1 1 122 122 LYS H H 122 8.329 8.329 8.312 0.017 25762 3547 1 5 . 1 1 125 125 LYS HA H 125 4.310 4.310 4.278 0.032 25762 3548 1 5 . 1 1 125 125 LYS C C 125 176.721 176.721 176.166 0.555 25762 3549 1 5 . 1 1 125 125 LYS CA C 125 56.580 56.580 56.363 0.217 25762 3550 1 5 . 1 1 125 125 LYS CB C 125 32.810 32.810 30.980 1.830 25762 3551 1 5 . 1 1 126 126 LYS N N 126 122.569 122.569 122.527 0.042 25762 3552 1 5 . 1 1 126 126 LYS HA H 126 4.320 4.320 4.362 -0.042 25762 3553 1 5 . 1 1 126 126 LYS C C 126 176.512 176.512 176.673 -0.161 25762 3554 1 5 . 1 1 126 126 LYS CA C 126 56.440 56.440 55.480 0.960 25762 3555 1 5 . 1 1 126 126 LYS CB C 126 33.057 33.057 33.376 -0.319 25762 3556 1 5 . 1 1 126 126 LYS H H 126 8.169 8.169 8.014 0.155 25762 3557 1 5 . 1 1 127 127 GLU N N 127 123.450 123.450 122.228 1.222 25762 3558 1 5 . 1 1 127 127 GLU HA H 127 4.310 4.310 4.390 -0.080 25762 3559 1 5 . 1 1 127 127 GLU C C 127 176.800 176.800 176.063 0.737 25762 3560 1 5 . 1 1 127 127 GLU CA C 127 56.474 56.474 56.550 -0.076 25762 3561 1 5 . 1 1 127 127 GLU CB C 127 30.620 30.620 28.145 2.475 25762 3562 1 5 . 1 1 127 127 GLU H H 127 8.459 8.459 8.774 -0.315 25762 3563 1 5 . 1 1 128 128 GLY N N 128 110.800 110.800 111.054 -0.254 25762 3564 1 5 . 1 1 128 128 GLY CA C 128 45.300 45.300 45.111 0.189 25762 3565 1 5 . 1 1 128 128 GLY H H 128 8.440 8.440 8.153 0.287 25762 3566 1 5 . 1 1 129 129 LYS HA H 129 4.270 4.270 4.521 -0.251 25762 3567 1 5 . 1 1 129 129 LYS C C 129 176.516 176.516 175.705 0.811 25762 3568 1 5 . 1 1 129 129 LYS CA C 129 56.480 56.480 55.666 0.814 25762 3569 1 5 . 1 1 129 129 LYS CB C 129 32.860 32.860 33.096 -0.236 25762 3570 1 5 . 1 1 130 130 LYS N N 130 124.071 124.071 126.061 -1.990 25762 3571 1 5 . 1 1 130 130 LYS HA H 130 4.270 4.270 4.389 -0.119 25762 3572 1 5 . 1 1 130 130 LYS C C 130 176.545 176.545 176.379 0.166 25762 3573 1 5 . 1 1 130 130 LYS CA C 130 56.495 56.495 55.904 0.591 25762 3574 1 5 . 1 1 130 130 LYS CB C 130 33.020 33.020 33.437 -0.417 25762 3575 1 5 . 1 1 130 130 LYS H H 130 8.409 8.409 8.578 -0.169 25762 3576 1 5 . 1 1 131 131 GLN N N 131 122.710 122.710 124.652 -1.942 25762 3577 1 5 . 1 1 131 131 GLN HA H 131 4.440 4.440 4.242 0.198 25762 3578 1 5 . 1 1 131 131 GLN C C 131 175.866 175.866 175.617 0.249 25762 3579 1 5 . 1 1 131 131 GLN CA C 131 56.016 56.016 55.657 0.359 25762 3580 1 5 . 1 1 131 131 GLN CB C 131 29.663 29.663 29.032 0.631 25762 3581 1 5 . 1 1 131 131 GLN H H 131 8.467 8.467 8.642 -0.175 25762 3582 1 5 . 1 1 132 132 GLU N N 132 123.586 123.586 124.805 -1.219 25762 3583 1 5 . 1 1 132 132 GLU HA H 132 4.250 4.250 4.171 0.079 25762 3584 1 5 . 1 1 132 132 GLU C C 132 176.354 176.354 176.055 0.299 25762 3585 1 5 . 1 1 132 132 GLU CA C 132 56.537 56.537 56.363 0.174 25762 3586 1 5 . 1 1 132 132 GLU CB C 132 30.614 30.614 29.219 1.395 25762 3587 1 5 . 1 1 132 132 GLU H H 132 8.490 8.490 8.559 -0.069 25762 3588 1 5 . 1 1 133 133 LYS N N 133 123.918 123.918 125.887 -1.969 25762 3589 1 5 . 1 1 133 133 LYS HA H 133 4.280 4.280 4.270 0.010 25762 3590 1 5 . 1 1 133 133 LYS C C 133 176.232 176.232 176.734 -0.502 25762 3591 1 5 . 1 1 133 133 LYS CA C 133 56.311 56.311 56.285 0.026 25762 3592 1 5 . 1 1 133 133 LYS CB C 133 33.137 33.137 32.913 0.224 25762 3593 1 5 . 1 1 133 133 LYS H H 133 8.373 8.373 8.263 0.110 25762 3594 1 5 . 1 1 134 134 MET N N 134 122.994 122.994 121.255 1.739 25762 3595 1 5 . 1 1 134 134 MET HA H 134 4.480 4.480 4.479 0.001 25762 3596 1 5 . 1 1 134 134 MET C C 134 175.946 175.946 176.882 -0.936 25762 3597 1 5 . 1 1 134 134 MET CA C 134 55.563 55.563 54.146 1.417 25762 3598 1 5 . 1 1 134 134 MET CB C 134 32.010 32.010 32.918 -0.908 25762 3599 1 5 . 1 1 134 134 MET H H 134 8.436 8.436 8.393 0.043 25762 3600 1 5 . 1 1 135 135 LEU N N 135 124.454 124.454 122.383 2.071 25762 3601 1 5 . 1 1 135 135 LEU HA H 135 4.380 4.380 4.185 0.195 25762 3602 1 5 . 1 1 135 135 LEU C C 135 176.158 176.158 177.176 -1.018 25762 3603 1 5 . 1 1 135 135 LEU CA C 135 55.225 55.225 55.038 0.187 25762 3604 1 5 . 1 1 135 135 LEU CB C 135 42.654 42.654 41.908 0.746 25762 3605 1 5 . 1 1 135 135 LEU H H 135 8.285 8.285 8.185 0.100 25762 3606 1 6 . 1 1 2 2 LYS N N 2 121.740 121.740 120.000 1.740 25762 3607 1 6 . 1 1 2 2 LYS CA C 2 56.298 56.298 56.223 0.075 25762 3608 1 6 . 1 1 2 2 LYS CB C 2 33.384 33.384 33.099 0.285 25762 3609 1 6 . 1 1 2 2 LYS H H 2 8.229 8.229 8.612 -0.383 25762 3610 1 6 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.358 0.042 25762 3611 1 6 . 1 1 6 6 PRO C C 6 176.964 176.964 176.763 0.201 25762 3612 1 6 . 1 1 6 6 PRO CA C 6 63.200 63.200 63.008 0.192 25762 3613 1 6 . 1 1 6 6 PRO CB C 6 32.100 32.100 32.157 -0.057 25762 3614 1 6 . 1 1 7 7 GLU N N 7 122.285 122.285 118.633 3.652 25762 3615 1 6 . 1 1 7 7 GLU HA H 7 4.260 4.260 4.108 0.152 25762 3616 1 6 . 1 1 7 7 GLU C C 7 176.226 176.226 175.300 0.926 25762 3617 1 6 . 1 1 7 7 GLU CA C 7 56.493 56.493 57.185 -0.692 25762 3618 1 6 . 1 1 7 7 GLU CB C 7 30.610 30.610 30.167 0.443 25762 3619 1 6 . 1 1 7 7 GLU H H 7 8.551 8.551 8.497 0.054 25762 3620 1 6 . 1 1 8 8 LYS N N 8 122.572 122.572 122.134 0.438 25762 3621 1 6 . 1 1 8 8 LYS HA H 8 4.310 4.310 4.387 -0.077 25762 3622 1 6 . 1 1 8 8 LYS C C 8 176.541 176.541 175.881 0.660 25762 3623 1 6 . 1 1 8 8 LYS CA C 8 56.440 56.440 55.654 0.786 25762 3624 1 6 . 1 1 8 8 LYS CB C 8 33.195 33.195 33.432 -0.237 25762 3625 1 6 . 1 1 8 8 LYS H H 8 8.346 8.346 8.255 0.091 25762 3626 1 6 . 1 1 9 9 LYS N N 9 123.843 123.843 118.818 5.025 25762 3627 1 6 . 1 1 9 9 LYS HA H 9 4.330 4.330 4.059 0.271 25762 3628 1 6 . 1 1 9 9 LYS C C 9 176.390 176.390 174.738 1.652 25762 3629 1 6 . 1 1 9 9 LYS CA C 9 56.537 56.537 57.143 -0.606 25762 3630 1 6 . 1 1 9 9 LYS CB C 9 33.160 33.160 32.135 1.026 25762 3631 1 6 . 1 1 9 9 LYS H H 9 8.505 8.505 8.424 0.081 25762 3632 1 6 . 1 1 10 10 VAL N N 10 123.043 123.043 120.057 2.986 25762 3633 1 6 . 1 1 10 10 VAL HA H 10 4.080 4.080 4.311 -0.231 25762 3634 1 6 . 1 1 10 10 VAL C C 10 175.887 175.887 174.789 1.098 25762 3635 1 6 . 1 1 10 10 VAL CA C 10 62.159 62.159 61.145 1.014 25762 3636 1 6 . 1 1 10 10 VAL CB C 10 33.080 33.080 33.485 -0.405 25762 3637 1 6 . 1 1 10 10 VAL H H 10 8.206 8.206 8.288 -0.082 25762 3638 1 6 . 1 1 11 11 LYS N N 11 126.952 126.952 125.507 1.445 25762 3639 1 6 . 1 1 11 11 LYS HA H 11 4.320 4.320 4.669 -0.349 25762 3640 1 6 . 1 1 11 11 LYS C C 11 176.257 176.257 175.655 0.602 25762 3641 1 6 . 1 1 11 11 LYS CA C 11 56.085 56.085 55.337 0.748 25762 3642 1 6 . 1 1 11 11 LYS CB C 11 33.320 33.320 34.345 -1.025 25762 3643 1 6 . 1 1 11 11 LYS H H 11 8.433 8.433 8.117 0.316 25762 3644 1 6 . 1 1 12 12 LYS N N 12 125.023 125.023 120.284 4.739 25762 3645 1 6 . 1 1 12 12 LYS HA H 12 4.260 4.260 4.215 0.045 25762 3646 1 6 . 1 1 12 12 LYS C C 12 176.306 176.306 176.485 -0.179 25762 3647 1 6 . 1 1 12 12 LYS CA C 12 56.605 56.605 57.855 -1.250 25762 3648 1 6 . 1 1 12 12 LYS CB C 12 33.443 33.443 32.556 0.887 25762 3649 1 6 . 1 1 12 12 LYS H H 12 8.446 8.446 8.426 0.020 25762 3650 1 6 . 1 1 13 13 SER N N 13 117.836 117.836 115.131 2.705 25762 3651 1 6 . 1 1 13 13 SER HA H 13 4.460 4.460 4.411 0.049 25762 3652 1 6 . 1 1 13 13 SER C C 13 174.456 174.456 173.565 0.891 25762 3653 1 6 . 1 1 13 13 SER CA C 13 57.950 57.950 57.407 0.543 25762 3654 1 6 . 1 1 13 13 SER CB C 13 64.048 64.048 62.276 1.772 25762 3655 1 6 . 1 1 13 13 SER H H 13 8.353 8.353 7.812 0.541 25762 3656 1 6 . 1 1 14 14 ASP N N 14 124.256 124.256 122.328 1.928 25762 3657 1 6 . 1 1 14 14 ASP HA H 14 4.570 4.570 4.658 -0.088 25762 3658 1 6 . 1 1 14 14 ASP C C 14 175.559 175.559 176.220 -0.661 25762 3659 1 6 . 1 1 14 14 ASP CA C 14 54.045 54.045 53.243 0.802 25762 3660 1 6 . 1 1 14 14 ASP CB C 14 41.037 41.037 42.926 -1.889 25762 3661 1 6 . 1 1 14 14 ASP H H 14 8.479 8.479 7.837 0.642 25762 3662 1 6 . 1 1 15 15 CYS N N 15 117.954 117.954 118.308 -0.354 25762 3663 1 6 . 1 1 15 15 CYS HA H 15 4.650 4.650 4.199 0.451 25762 3664 1 6 . 1 1 15 15 CYS C C 15 175.354 175.354 173.684 1.670 25762 3665 1 6 . 1 1 15 15 CYS CA C 15 55.413 55.413 60.015 -4.602 25762 3666 1 6 . 1 1 15 15 CYS CB C 15 43.497 43.497 27.252 16.245 25762 3667 1 6 . 1 1 15 15 CYS H H 15 7.901 7.901 8.824 -0.923 25762 3668 1 6 . 1 1 16 16 GLY N N 16 112.694 112.694 107.776 4.918 25762 3669 1 6 . 1 1 16 16 GLY C C 16 172.300 172.300 171.284 1.016 25762 3670 1 6 . 1 1 16 16 GLY CA C 16 44.224 44.224 45.152 -0.928 25762 3671 1 6 . 1 1 16 16 GLY H H 16 8.447 8.447 7.828 0.619 25762 3672 1 6 . 1 1 17 17 GLU N N 17 118.500 118.500 122.314 -3.814 25762 3673 1 6 . 1 1 17 17 GLU HA H 17 4.090 4.090 4.307 -0.217 25762 3674 1 6 . 1 1 17 17 GLU C C 17 177.571 177.571 176.321 1.250 25762 3675 1 6 . 1 1 17 17 GLU CA C 17 55.900 55.900 54.228 1.672 25762 3676 1 6 . 1 1 17 17 GLU CB C 17 30.500 30.500 32.528 -2.028 25762 3677 1 6 . 1 1 17 17 GLU H H 17 8.250 8.250 8.358 -0.108 25762 3678 1 6 . 1 1 18 18 TRP N N 18 122.718 122.718 122.479 0.239 25762 3679 1 6 . 1 1 18 18 TRP HA H 18 4.040 4.040 4.520 -0.480 25762 3680 1 6 . 1 1 18 18 TRP C C 18 176.310 176.310 176.661 -0.351 25762 3681 1 6 . 1 1 18 18 TRP CA C 18 58.515 58.515 57.828 0.687 25762 3682 1 6 . 1 1 18 18 TRP CB C 18 30.365 30.365 29.382 0.983 25762 3683 1 6 . 1 1 18 18 TRP H H 18 8.319 8.319 8.491 -0.172 25762 3684 1 6 . 1 1 19 19 GLN N N 19 123.305 123.305 122.733 0.572 25762 3685 1 6 . 1 1 19 19 GLN HA H 19 4.530 4.530 4.730 -0.200 25762 3686 1 6 . 1 1 19 19 GLN C C 19 175.571 175.571 175.114 0.457 25762 3687 1 6 . 1 1 19 19 GLN CA C 19 54.186 54.186 54.076 0.110 25762 3688 1 6 . 1 1 19 19 GLN CB C 19 29.897 29.897 29.882 0.015 25762 3689 1 6 . 1 1 19 19 GLN H H 19 9.140 9.140 8.899 0.241 25762 3690 1 6 . 1 1 20 20 TRP N N 20 125.311 125.311 126.510 -1.199 25762 3691 1 6 . 1 1 20 20 TRP HA H 20 5.290 5.290 5.044 0.246 25762 3692 1 6 . 1 1 20 20 TRP C C 20 177.596 177.596 176.910 0.686 25762 3693 1 6 . 1 1 20 20 TRP CA C 20 56.651 56.651 56.580 0.071 25762 3694 1 6 . 1 1 20 20 TRP CB C 20 32.720 32.720 30.862 1.858 25762 3695 1 6 . 1 1 20 20 TRP H H 20 8.783 8.783 8.791 -0.008 25762 3696 1 6 . 1 1 21 21 SER N N 21 120.041 120.041 117.164 2.877 25762 3697 1 6 . 1 1 21 21 SER HA H 21 4.440 4.440 4.775 -0.335 25762 3698 1 6 . 1 1 21 21 SER C C 21 173.795 173.795 173.803 -0.008 25762 3699 1 6 . 1 1 21 21 SER CA C 21 57.292 57.292 57.929 -0.637 25762 3700 1 6 . 1 1 21 21 SER CB C 21 65.435 65.435 64.412 1.024 25762 3701 1 6 . 1 1 21 21 SER H H 21 9.173 9.173 8.619 0.554 25762 3702 1 6 . 1 1 22 22 VAL N N 22 115.336 115.336 118.254 -2.918 25762 3703 1 6 . 1 1 22 22 VAL HA H 22 4.130 4.130 4.321 -0.191 25762 3704 1 6 . 1 1 22 22 VAL C C 22 175.183 175.183 175.744 -0.561 25762 3705 1 6 . 1 1 22 22 VAL CA C 22 62.008 62.008 60.962 1.046 25762 3706 1 6 . 1 1 22 22 VAL CB C 22 32.859 32.859 33.284 -0.425 25762 3707 1 6 . 1 1 22 22 VAL H H 22 8.099 8.099 8.249 -0.150 25762 3708 1 6 . 1 1 23 23 CYS N N 23 122.154 122.154 123.583 -1.429 25762 3709 1 6 . 1 1 23 23 CYS HA H 23 4.330 4.330 4.639 -0.309 25762 3710 1 6 . 1 1 23 23 CYS C C 23 173.335 173.335 175.362 -2.027 25762 3711 1 6 . 1 1 23 23 CYS CA C 23 56.598 56.598 58.574 -1.976 25762 3712 1 6 . 1 1 23 23 CYS CB C 23 42.166 42.166 25.652 16.514 25762 3713 1 6 . 1 1 23 23 CYS H H 23 8.433 8.433 8.447 -0.014 25762 3714 1 6 . 1 1 24 24 VAL N N 24 133.008 133.008 130.038 2.970 25762 3715 1 6 . 1 1 24 24 VAL HA H 24 4.260 4.260 4.627 -0.367 25762 3716 1 6 . 1 1 24 24 VAL CA C 24 59.409 59.409 58.968 0.441 25762 3717 1 6 . 1 1 24 24 VAL CB C 24 33.572 33.572 34.363 -0.791 25762 3718 1 6 . 1 1 24 24 VAL H H 24 8.790 8.790 8.776 0.014 25762 3719 1 6 . 1 1 25 25 PRO HA H 25 4.380 4.380 4.564 -0.184 25762 3720 1 6 . 1 1 25 25 PRO C C 25 176.853 176.853 176.573 0.280 25762 3721 1 6 . 1 1 25 25 PRO CA C 25 62.700 62.700 62.859 -0.159 25762 3722 1 6 . 1 1 25 25 PRO CB C 25 31.600 31.600 31.959 -0.359 25762 3723 1 6 . 1 1 26 26 THR N N 26 121.729 121.729 118.190 3.539 25762 3724 1 6 . 1 1 26 26 THR HA H 26 3.970 3.970 4.273 -0.303 25762 3725 1 6 . 1 1 26 26 THR C C 26 174.891 174.891 175.118 -0.227 25762 3726 1 6 . 1 1 26 26 THR CA C 26 65.598 65.598 64.874 0.724 25762 3727 1 6 . 1 1 26 26 THR CB C 26 69.136 69.136 69.365 -0.229 25762 3728 1 6 . 1 1 26 26 THR H H 26 9.199 9.199 8.865 0.334 25762 3729 1 6 . 1 1 27 27 SER N N 27 115.495 115.495 114.391 1.104 25762 3730 1 6 . 1 1 27 27 SER HA H 27 4.590 4.590 4.716 -0.126 25762 3731 1 6 . 1 1 27 27 SER C C 27 173.700 173.700 173.848 -0.148 25762 3732 1 6 . 1 1 27 27 SER CA C 27 57.326 57.326 56.788 0.538 25762 3733 1 6 . 1 1 27 27 SER CB C 27 64.749 64.749 65.014 -0.265 25762 3734 1 6 . 1 1 27 27 SER H H 27 8.676 8.676 7.531 1.145 25762 3735 1 6 . 1 1 28 28 GLY N N 28 111.492 111.492 111.229 0.263 25762 3736 1 6 . 1 1 28 28 GLY C C 28 173.803 173.803 175.034 -1.231 25762 3737 1 6 . 1 1 28 28 GLY CA C 28 45.965 45.965 46.121 -0.156 25762 3738 1 6 . 1 1 28 28 GLY H H 28 8.482 8.482 8.846 -0.364 25762 3739 1 6 . 1 1 29 29 ASP N N 29 118.893 118.893 123.793 -4.900 25762 3740 1 6 . 1 1 29 29 ASP HA H 29 4.750 4.750 4.303 0.447 25762 3741 1 6 . 1 1 29 29 ASP C C 29 175.806 175.806 174.904 0.902 25762 3742 1 6 . 1 1 29 29 ASP CA C 29 53.476 53.476 56.655 -3.179 25762 3743 1 6 . 1 1 29 29 ASP CB C 29 42.140 42.140 40.296 1.844 25762 3744 1 6 . 1 1 29 29 ASP H H 29 8.412 8.412 8.722 -0.310 25762 3745 1 6 . 1 1 30 30 CYS N N 30 113.937 113.937 121.663 -7.726 25762 3746 1 6 . 1 1 30 30 CYS HA H 30 3.840 3.840 4.822 -0.982 25762 3747 1 6 . 1 1 30 30 CYS C C 30 170.767 170.767 173.579 -2.812 25762 3748 1 6 . 1 1 30 30 CYS CA C 30 56.060 56.060 58.471 -2.411 25762 3749 1 6 . 1 1 30 30 CYS CB C 30 47.900 47.900 26.056 21.844 25762 3750 1 6 . 1 1 30 30 CYS H H 30 7.983 7.983 7.846 0.137 25762 3751 1 6 . 1 1 31 31 GLY N N 31 110.972 110.972 114.326 -3.354 25762 3752 1 6 . 1 1 31 31 GLY C C 31 173.804 173.804 172.972 0.832 25762 3753 1 6 . 1 1 31 31 GLY CA C 31 44.043 44.043 44.534 -0.491 25762 3754 1 6 . 1 1 31 31 GLY H H 31 9.376 9.376 7.420 1.956 25762 3755 1 6 . 1 1 32 32 LEU N N 32 123.077 123.077 121.144 1.933 25762 3756 1 6 . 1 1 32 32 LEU HA H 32 4.440 4.440 4.145 0.295 25762 3757 1 6 . 1 1 32 32 LEU C C 32 177.802 177.802 176.408 1.394 25762 3758 1 6 . 1 1 32 32 LEU CA C 32 55.904 55.904 56.548 -0.644 25762 3759 1 6 . 1 1 32 32 LEU CB C 32 42.825 42.825 43.263 -0.438 25762 3760 1 6 . 1 1 32 32 LEU H H 32 8.493 8.493 8.362 0.131 25762 3761 1 6 . 1 1 33 33 GLY N N 33 110.436 110.436 108.234 2.202 25762 3762 1 6 . 1 1 33 33 GLY C C 33 174.279 174.279 173.191 1.088 25762 3763 1 6 . 1 1 33 33 GLY CA C 33 45.930 45.930 44.505 1.425 25762 3764 1 6 . 1 1 33 33 GLY H H 33 8.658 8.658 8.413 0.245 25762 3765 1 6 . 1 1 34 34 THR N N 34 113.118 113.118 115.481 -2.363 25762 3766 1 6 . 1 1 34 34 THR HA H 34 5.166 5.166 5.191 -0.025 25762 3767 1 6 . 1 1 34 34 THR C C 34 173.246 173.246 172.619 0.627 25762 3768 1 6 . 1 1 34 34 THR CA C 34 60.776 60.776 61.492 -0.716 25762 3769 1 6 . 1 1 34 34 THR CB C 34 72.892 72.892 72.634 0.258 25762 3770 1 6 . 1 1 34 34 THR H H 34 8.040 8.040 8.643 -0.603 25762 3771 1 6 . 1 1 35 35 ARG N N 35 120.371 120.371 122.015 -1.644 25762 3772 1 6 . 1 1 35 35 ARG HA H 35 4.980 4.980 4.789 0.191 25762 3773 1 6 . 1 1 35 35 ARG C C 35 173.802 173.802 173.634 0.168 25762 3774 1 6 . 1 1 35 35 ARG CA C 35 54.100 54.100 54.916 -0.816 25762 3775 1 6 . 1 1 35 35 ARG CB C 35 33.790 33.790 34.225 -0.435 25762 3776 1 6 . 1 1 35 35 ARG H H 35 9.104 9.104 9.223 -0.119 25762 3777 1 6 . 1 1 36 36 GLU N N 36 122.259 122.259 124.772 -2.513 25762 3778 1 6 . 1 1 36 36 GLU HA H 36 5.160 5.160 5.043 0.117 25762 3779 1 6 . 1 1 36 36 GLU C C 36 175.960 175.960 175.265 0.695 25762 3780 1 6 . 1 1 36 36 GLU CA C 36 55.209 55.209 55.370 -0.161 25762 3781 1 6 . 1 1 36 36 GLU CB C 36 32.652 32.652 33.946 -1.294 25762 3782 1 6 . 1 1 36 36 GLU H H 36 8.750 8.750 8.849 -0.099 25762 3783 1 6 . 1 1 37 37 GLY N N 37 116.895 116.895 111.091 5.804 25762 3784 1 6 . 1 1 37 37 GLY C C 37 173.097 173.097 172.379 0.718 25762 3785 1 6 . 1 1 37 37 GLY CA C 37 44.195 44.195 44.230 -0.035 25762 3786 1 6 . 1 1 37 37 GLY H H 37 9.479 9.479 8.936 0.543 25762 3787 1 6 . 1 1 38 38 THR N N 38 114.848 114.848 113.518 1.330 25762 3788 1 6 . 1 1 38 38 THR HA H 38 5.540 5.540 4.994 0.546 25762 3789 1 6 . 1 1 38 38 THR C C 38 173.004 173.004 172.879 0.125 25762 3790 1 6 . 1 1 38 38 THR CA C 38 59.751 59.751 60.082 -0.331 25762 3791 1 6 . 1 1 38 38 THR CB C 38 72.666 72.666 72.296 0.370 25762 3792 1 6 . 1 1 38 38 THR H H 38 8.485 8.485 8.335 0.150 25762 3793 1 6 . 1 1 39 39 ARG N N 39 119.072 119.072 122.829 -3.757 25762 3794 1 6 . 1 1 39 39 ARG HA H 39 4.640 4.640 4.416 0.224 25762 3795 1 6 . 1 1 39 39 ARG C C 39 174.649 174.649 174.371 0.278 25762 3796 1 6 . 1 1 39 39 ARG CA C 39 54.587 54.587 54.214 0.373 25762 3797 1 6 . 1 1 39 39 ARG CB C 39 33.285 33.285 33.088 0.197 25762 3798 1 6 . 1 1 39 39 ARG H H 39 8.231 8.231 7.941 0.290 25762 3799 1 6 . 1 1 40 40 THR N N 40 111.009 111.009 117.520 -6.511 25762 3800 1 6 . 1 1 40 40 THR HA H 40 4.440 4.440 4.519 -0.079 25762 3801 1 6 . 1 1 40 40 THR C C 40 173.890 173.890 172.519 1.371 25762 3802 1 6 . 1 1 40 40 THR CA C 40 60.431 60.431 60.904 -0.473 25762 3803 1 6 . 1 1 40 40 THR CB C 40 71.163 71.163 72.635 -1.472 25762 3804 1 6 . 1 1 40 40 THR H H 40 8.097 8.097 7.811 0.286 25762 3805 1 6 . 1 1 41 41 GLY N N 41 110.094 110.094 108.698 1.396 25762 3806 1 6 . 1 1 41 41 GLY C C 41 174.489 174.489 173.399 1.090 25762 3807 1 6 . 1 1 41 41 GLY CA C 41 45.487 45.487 43.548 1.939 25762 3808 1 6 . 1 1 41 41 GLY H H 41 8.146 8.146 8.222 -0.076 25762 3809 1 6 . 1 1 42 42 ALA N N 42 130.030 130.030 120.716 9.314 25762 3810 1 6 . 1 1 42 42 ALA HA H 42 4.150 4.150 4.189 -0.039 25762 3811 1 6 . 1 1 42 42 ALA C C 42 179.063 179.063 178.515 0.548 25762 3812 1 6 . 1 1 42 42 ALA CA C 42 54.737 54.737 54.130 0.607 25762 3813 1 6 . 1 1 42 42 ALA CB C 42 19.258 19.258 18.643 0.615 25762 3814 1 6 . 1 1 42 42 ALA H H 42 8.844 8.844 8.385 0.459 25762 3815 1 6 . 1 1 43 43 GLU N N 43 116.721 116.721 117.364 -0.643 25762 3816 1 6 . 1 1 43 43 GLU HA H 43 4.350 4.350 4.300 0.050 25762 3817 1 6 . 1 1 43 43 GLU C C 43 175.825 175.825 176.069 -0.244 25762 3818 1 6 . 1 1 43 43 GLU CA C 43 54.964 54.964 56.278 -1.314 25762 3819 1 6 . 1 1 43 43 GLU CB C 43 29.372 29.372 29.351 0.021 25762 3820 1 6 . 1 1 43 43 GLU H H 43 9.070 9.070 8.436 0.634 25762 3821 1 6 . 1 1 44 44 CYS N N 44 120.031 120.031 114.798 5.233 25762 3822 1 6 . 1 1 44 44 CYS C C 44 174.887 174.887 174.072 0.815 25762 3823 1 6 . 1 1 44 44 CYS CA C 44 55.287 55.287 58.940 -3.653 25762 3824 1 6 . 1 1 44 44 CYS CB C 44 41.215 41.215 24.948 16.267 25762 3825 1 6 . 1 1 44 44 CYS H H 44 7.427 7.427 8.133 -0.706 25762 3826 1 6 . 1 1 45 45 LYS N N 45 127.192 127.192 120.156 7.036 25762 3827 1 6 . 1 1 45 45 LYS HA H 45 4.220 4.220 4.416 -0.196 25762 3828 1 6 . 1 1 45 45 LYS C C 45 176.464 176.464 177.438 -0.974 25762 3829 1 6 . 1 1 45 45 LYS CA C 45 57.793 57.793 55.799 1.994 25762 3830 1 6 . 1 1 45 45 LYS CB C 45 32.251 32.251 32.788 -0.537 25762 3831 1 6 . 1 1 45 45 LYS H H 45 8.655 8.655 7.770 0.885 25762 3832 1 6 . 1 1 46 46 GLN N N 46 119.454 119.454 120.784 -1.330 25762 3833 1 6 . 1 1 46 46 GLN HA H 46 4.690 4.690 4.005 0.685 25762 3834 1 6 . 1 1 46 46 GLN C C 46 175.524 175.524 175.793 -0.269 25762 3835 1 6 . 1 1 46 46 GLN CA C 46 55.759 55.759 57.649 -1.890 25762 3836 1 6 . 1 1 46 46 GLN CB C 46 29.672 29.672 27.731 1.941 25762 3837 1 6 . 1 1 46 46 GLN H H 46 7.831 7.831 8.705 -0.874 25762 3838 1 6 . 1 1 47 47 THR N N 47 116.122 116.122 108.431 7.691 25762 3839 1 6 . 1 1 47 47 THR HA H 47 4.701 4.701 3.937 0.764 25762 3840 1 6 . 1 1 47 47 THR C C 47 173.458 173.458 173.070 0.388 25762 3841 1 6 . 1 1 47 47 THR CA C 47 61.693 61.693 63.794 -2.101 25762 3842 1 6 . 1 1 47 47 THR CB C 47 69.773 69.773 67.943 1.830 25762 3843 1 6 . 1 1 47 47 THR H H 47 8.633 8.633 8.386 0.247 25762 3844 1 6 . 1 1 48 48 MET N N 48 121.378 121.378 118.137 3.241 25762 3845 1 6 . 1 1 48 48 MET HA H 48 5.610 5.610 4.816 0.794 25762 3846 1 6 . 1 1 48 48 MET C C 48 174.850 174.850 175.469 -0.619 25762 3847 1 6 . 1 1 48 48 MET CA C 48 55.321 55.321 54.291 1.030 25762 3848 1 6 . 1 1 48 48 MET CB C 48 36.529 36.529 35.728 0.801 25762 3849 1 6 . 1 1 48 48 MET H H 48 7.838 7.838 7.501 0.337 25762 3850 1 6 . 1 1 49 49 LYS N N 49 123.748 123.748 123.607 0.141 25762 3851 1 6 . 1 1 49 49 LYS HA H 49 4.560 4.560 4.824 -0.264 25762 3852 1 6 . 1 1 49 49 LYS C C 49 173.773 173.773 174.856 -1.083 25762 3853 1 6 . 1 1 49 49 LYS CA C 49 55.899 55.899 55.190 0.709 25762 3854 1 6 . 1 1 49 49 LYS CB C 49 36.032 36.032 36.593 -0.561 25762 3855 1 6 . 1 1 49 49 LYS H H 49 8.539 8.539 9.043 -0.504 25762 3856 1 6 . 1 1 50 50 THR N N 50 117.276 117.276 119.752 -2.476 25762 3857 1 6 . 1 1 50 50 THR HA H 50 5.330 5.330 5.101 0.229 25762 3858 1 6 . 1 1 50 50 THR C C 50 174.047 174.047 173.981 0.066 25762 3859 1 6 . 1 1 50 50 THR CA C 50 61.169 61.169 61.417 -0.248 25762 3860 1 6 . 1 1 50 50 THR CB C 50 71.019 71.019 70.523 0.495 25762 3861 1 6 . 1 1 50 50 THR H H 50 8.416 8.416 8.547 -0.131 25762 3862 1 6 . 1 1 51 51 GLN N N 51 123.996 123.996 124.410 -0.414 25762 3863 1 6 . 1 1 51 51 GLN HA H 51 4.680 4.680 4.709 -0.029 25762 3864 1 6 . 1 1 51 51 GLN C C 51 174.453 174.453 174.319 0.134 25762 3865 1 6 . 1 1 51 51 GLN CA C 51 54.079 54.079 54.777 -0.698 25762 3866 1 6 . 1 1 51 51 GLN CB C 51 34.352 34.352 33.224 1.128 25762 3867 1 6 . 1 1 51 51 GLN H H 51 9.034 9.034 9.227 -0.193 25762 3868 1 6 . 1 1 52 52 ARG N N 52 124.759 124.759 123.017 1.742 25762 3869 1 6 . 1 1 52 52 ARG HA H 52 4.600 4.600 4.739 -0.139 25762 3870 1 6 . 1 1 52 52 ARG C C 52 174.978 174.978 175.857 -0.879 25762 3871 1 6 . 1 1 52 52 ARG CA C 52 56.600 56.600 56.193 0.407 25762 3872 1 6 . 1 1 52 52 ARG CB C 52 30.812 30.812 31.448 -0.636 25762 3873 1 6 . 1 1 52 52 ARG H H 52 8.520 8.520 8.562 -0.042 25762 3874 1 6 . 1 1 53 53 CYS N N 53 120.158 120.158 123.455 -3.297 25762 3875 1 6 . 1 1 53 53 CYS HA H 53 4.130 4.130 4.843 -0.713 25762 3876 1 6 . 1 1 53 53 CYS C C 53 170.755 170.755 173.647 -2.892 25762 3877 1 6 . 1 1 53 53 CYS CA C 53 54.574 54.574 57.590 -3.016 25762 3878 1 6 . 1 1 53 53 CYS CB C 53 47.178 47.178 30.758 16.420 25762 3879 1 6 . 1 1 53 53 CYS H H 53 8.167 8.167 8.784 -0.617 25762 3880 1 6 . 1 1 54 54 LYS N N 54 120.283 120.283 121.586 -1.303 25762 3881 1 6 . 1 1 54 54 LYS HA H 54 4.840 4.840 4.570 0.270 25762 3882 1 6 . 1 1 54 54 LYS C C 54 175.166 175.166 175.064 0.102 25762 3883 1 6 . 1 1 54 54 LYS CA C 54 55.611 55.611 55.394 0.217 25762 3884 1 6 . 1 1 54 54 LYS CB C 54 36.066 36.066 33.271 2.795 25762 3885 1 6 . 1 1 54 54 LYS H H 54 8.489 8.489 8.566 -0.077 25762 3886 1 6 . 1 1 55 55 ILE N N 55 126.794 126.794 126.547 0.247 25762 3887 1 6 . 1 1 55 55 ILE HA H 55 4.600 4.600 4.548 0.052 25762 3888 1 6 . 1 1 55 55 ILE CA C 55 57.299 57.299 57.955 -0.656 25762 3889 1 6 . 1 1 55 55 ILE CB C 55 41.759 41.759 39.733 2.026 25762 3890 1 6 . 1 1 55 55 ILE H H 55 8.673 8.673 8.530 0.143 25762 3891 1 6 . 1 1 56 56 PRO HA H 56 4.360 4.360 4.520 -0.160 25762 3892 1 6 . 1 1 56 56 PRO C C 56 176.748 176.748 176.243 0.505 25762 3893 1 6 . 1 1 56 56 PRO CA C 56 63.790 63.790 62.188 1.602 25762 3894 1 6 . 1 1 56 56 PRO CB C 56 32.200 32.200 29.133 3.067 25762 3895 1 6 . 1 1 57 57 CYS N N 57 121.411 121.411 117.044 4.367 25762 3896 1 6 . 1 1 57 57 CYS HA H 57 4.160 4.160 4.926 -0.766 25762 3897 1 6 . 1 1 57 57 CYS C C 57 174.867 174.867 174.037 0.830 25762 3898 1 6 . 1 1 57 57 CYS CA C 57 54.490 54.490 56.221 -1.731 25762 3899 1 6 . 1 1 57 57 CYS CB C 57 43.090 43.090 30.253 12.837 25762 3900 1 6 . 1 1 57 57 CYS H H 57 8.782 8.782 8.154 0.628 25762 3901 1 6 . 1 1 58 58 ASN N N 58 120.918 120.918 119.001 1.917 25762 3902 1 6 . 1 1 58 58 ASN HA H 58 4.620 4.620 4.692 -0.072 25762 3903 1 6 . 1 1 58 58 ASN C C 58 175.129 175.129 174.448 0.681 25762 3904 1 6 . 1 1 58 58 ASN CA C 58 53.832 53.832 53.666 0.166 25762 3905 1 6 . 1 1 58 58 ASN CB C 58 38.634 38.634 39.367 -0.733 25762 3906 1 6 . 1 1 58 58 ASN H H 58 8.551 8.551 8.468 0.083 25762 3907 1 6 . 1 1 59 59 TRP N N 59 121.791 121.791 118.446 3.345 25762 3908 1 6 . 1 1 59 59 TRP HA H 59 4.604 4.604 4.406 0.198 25762 3909 1 6 . 1 1 59 59 TRP C C 59 176.374 176.374 175.416 0.958 25762 3910 1 6 . 1 1 59 59 TRP CA C 59 57.605 57.605 57.780 -0.175 25762 3911 1 6 . 1 1 59 59 TRP CB C 59 29.487 29.487 27.800 1.687 25762 3912 1 6 . 1 1 59 59 TRP H H 59 8.010 8.010 7.953 0.057 25762 3913 1 6 . 1 1 60 60 LYS N N 60 122.289 122.289 121.210 1.079 25762 3914 1 6 . 1 1 60 60 LYS HA H 60 4.070 4.070 4.648 -0.578 25762 3915 1 6 . 1 1 60 60 LYS C C 60 176.685 176.685 175.548 1.137 25762 3916 1 6 . 1 1 60 60 LYS CA C 60 56.926 56.926 55.006 1.920 25762 3917 1 6 . 1 1 60 60 LYS CB C 60 32.877 32.877 34.172 -1.296 25762 3918 1 6 . 1 1 60 60 LYS H H 60 7.751 7.751 8.240 -0.489 25762 3919 1 6 . 1 1 61 61 LYS N N 61 121.691 121.691 122.084 -0.393 25762 3920 1 6 . 1 1 61 61 LYS HA H 61 4.160 4.160 4.546 -0.386 25762 3921 1 6 . 1 1 61 61 LYS C C 61 176.731 176.731 176.018 0.713 25762 3922 1 6 . 1 1 61 61 LYS CA C 61 56.804 56.804 55.868 0.936 25762 3923 1 6 . 1 1 61 61 LYS CB C 61 32.910 32.910 33.455 -0.545 25762 3924 1 6 . 1 1 61 61 LYS H H 61 7.963 7.963 8.572 -0.609 25762 3925 1 6 . 1 1 62 62 GLN N N 62 120.611 120.611 119.224 1.387 25762 3926 1 6 . 1 1 62 62 GLN HA H 62 4.240 4.240 4.467 -0.227 25762 3927 1 6 . 1 1 62 62 GLN C C 62 175.696 175.696 174.487 1.209 25762 3928 1 6 . 1 1 62 62 GLN CA C 62 56.416 56.416 54.888 1.528 25762 3929 1 6 . 1 1 62 62 GLN CB C 62 29.722 29.722 29.959 -0.237 25762 3930 1 6 . 1 1 62 62 GLN H H 62 8.177 8.177 8.877 -0.700 25762 3931 1 6 . 1 1 63 63 PHE N N 63 119.964 119.964 118.339 1.625 25762 3932 1 6 . 1 1 63 63 PHE HA H 63 4.750 4.750 4.700 0.050 25762 3933 1 6 . 1 1 63 63 PHE C C 63 175.958 175.958 176.116 -0.158 25762 3934 1 6 . 1 1 63 63 PHE CA C 63 57.339 57.339 57.130 0.209 25762 3935 1 6 . 1 1 63 63 PHE CB C 63 39.813 39.813 40.522 -0.709 25762 3936 1 6 . 1 1 63 63 PHE H H 63 7.990 7.990 7.862 0.128 25762 3937 1 6 . 1 1 64 64 GLY N N 64 110.674 110.674 110.356 0.318 25762 3938 1 6 . 1 1 64 64 GLY C C 64 174.297 174.297 173.323 0.974 25762 3939 1 6 . 1 1 64 64 GLY CA C 64 45.306 45.306 45.664 -0.358 25762 3940 1 6 . 1 1 64 64 GLY H H 64 8.427 8.427 8.624 -0.197 25762 3941 1 6 . 1 1 65 65 ALA N N 65 124.213 124.213 122.306 1.907 25762 3942 1 6 . 1 1 65 65 ALA HA H 65 4.260 4.260 4.502 -0.242 25762 3943 1 6 . 1 1 65 65 ALA C C 65 178.028 178.028 177.798 0.230 25762 3944 1 6 . 1 1 65 65 ALA CA C 65 53.400 53.400 52.659 0.741 25762 3945 1 6 . 1 1 65 65 ALA CB C 65 19.372 19.372 19.402 -0.030 25762 3946 1 6 . 1 1 65 65 ALA H H 65 8.316 8.316 7.590 0.726 25762 3947 1 6 . 1 1 66 66 GLU N N 66 117.489 117.489 118.318 -0.829 25762 3948 1 6 . 1 1 66 66 GLU HA H 66 4.240 4.240 4.486 -0.246 25762 3949 1 6 . 1 1 66 66 GLU C C 66 175.127 175.127 176.370 -1.243 25762 3950 1 6 . 1 1 66 66 GLU CA C 66 57.205 57.205 56.058 1.147 25762 3951 1 6 . 1 1 66 66 GLU CB C 66 29.924 29.924 29.558 0.366 25762 3952 1 6 . 1 1 66 66 GLU H H 66 8.697 8.697 8.608 0.089 25762 3953 1 6 . 1 1 67 67 CYS N N 67 119.305 119.305 118.047 1.258 25762 3954 1 6 . 1 1 67 67 CYS HA H 67 4.310 4.310 4.432 -0.122 25762 3955 1 6 . 1 1 67 67 CYS C C 67 172.436 172.436 175.288 -2.852 25762 3956 1 6 . 1 1 67 67 CYS CA C 67 53.300 53.300 59.048 -5.748 25762 3957 1 6 . 1 1 67 67 CYS CB C 67 41.122 41.122 27.037 14.085 25762 3958 1 6 . 1 1 67 67 CYS H H 67 7.758 7.758 7.916 -0.158 25762 3959 1 6 . 1 1 68 68 LYS N N 68 123.248 123.248 125.148 -1.900 25762 3960 1 6 . 1 1 68 68 LYS HA H 68 4.680 4.680 4.819 -0.139 25762 3961 1 6 . 1 1 68 68 LYS C C 68 174.804 174.804 175.004 -0.200 25762 3962 1 6 . 1 1 68 68 LYS CA C 68 54.009 54.009 55.665 -1.656 25762 3963 1 6 . 1 1 68 68 LYS CB C 68 33.651 33.651 34.318 -0.667 25762 3964 1 6 . 1 1 68 68 LYS H H 68 8.174 8.174 8.730 -0.556 25762 3965 1 6 . 1 1 69 69 TYR N N 69 122.635 122.635 122.321 0.314 25762 3966 1 6 . 1 1 69 69 TYR HA H 69 4.410 4.410 5.247 -0.837 25762 3967 1 6 . 1 1 69 69 TYR C C 69 174.602 174.602 175.505 -0.903 25762 3968 1 6 . 1 1 69 69 TYR CA C 69 58.204 58.204 57.323 0.881 25762 3969 1 6 . 1 1 69 69 TYR CB C 69 42.100 42.100 42.484 -0.384 25762 3970 1 6 . 1 1 69 69 TYR H H 69 8.769 8.769 8.871 -0.102 25762 3971 1 6 . 1 1 70 70 GLN N N 70 120.984 120.984 124.832 -3.848 25762 3972 1 6 . 1 1 70 70 GLN HA H 70 4.590 4.590 4.706 -0.116 25762 3973 1 6 . 1 1 70 70 GLN C C 70 175.634 175.634 174.801 0.833 25762 3974 1 6 . 1 1 70 70 GLN CA C 70 54.108 54.108 54.554 -0.446 25762 3975 1 6 . 1 1 70 70 GLN CB C 70 29.900 29.900 31.774 -1.874 25762 3976 1 6 . 1 1 70 70 GLN H H 70 8.573 8.573 8.684 -0.111 25762 3977 1 6 . 1 1 71 71 PHE N N 71 127.389 127.389 121.634 5.755 25762 3978 1 6 . 1 1 71 71 PHE HA H 71 4.970 4.970 5.511 -0.541 25762 3979 1 6 . 1 1 71 71 PHE C C 71 177.149 177.149 175.079 2.070 25762 3980 1 6 . 1 1 71 71 PHE CA C 71 58.976 58.976 55.369 3.607 25762 3981 1 6 . 1 1 71 71 PHE CB C 71 40.837 40.837 41.015 -0.178 25762 3982 1 6 . 1 1 71 71 PHE H H 71 9.255 9.255 7.895 1.360 25762 3983 1 6 . 1 1 72 72 GLN N N 72 121.514 121.514 121.394 0.120 25762 3984 1 6 . 1 1 72 72 GLN HA H 72 4.440 4.440 4.464 -0.024 25762 3985 1 6 . 1 1 72 72 GLN C C 72 176.721 176.721 174.402 2.319 25762 3986 1 6 . 1 1 72 72 GLN CA C 72 54.707 54.707 55.830 -1.123 25762 3987 1 6 . 1 1 72 72 GLN CB C 72 29.983 29.983 30.337 -0.354 25762 3988 1 6 . 1 1 72 72 GLN H H 72 8.273 8.273 9.124 -0.851 25762 3989 1 6 . 1 1 73 73 ALA N N 73 122.414 122.414 127.102 -4.688 25762 3990 1 6 . 1 1 73 73 ALA HA H 73 4.220 4.220 4.562 -0.342 25762 3991 1 6 . 1 1 73 73 ALA C C 73 178.776 178.776 176.821 1.955 25762 3992 1 6 . 1 1 73 73 ALA CA C 73 52.751 52.751 52.153 0.598 25762 3993 1 6 . 1 1 73 73 ALA CB C 73 19.559 19.559 19.642 -0.083 25762 3994 1 6 . 1 1 73 73 ALA H H 73 8.293 8.293 8.652 -0.359 25762 3995 1 6 . 1 1 74 74 TRP N N 74 120.412 120.412 122.627 -2.215 25762 3996 1 6 . 1 1 74 74 TRP HA H 74 4.260 4.260 4.810 -0.550 25762 3997 1 6 . 1 1 74 74 TRP C C 74 178.290 178.290 176.940 1.350 25762 3998 1 6 . 1 1 74 74 TRP CA C 74 58.982 58.982 56.576 2.406 25762 3999 1 6 . 1 1 74 74 TRP CB C 74 30.633 30.633 29.526 1.107 25762 4000 1 6 . 1 1 74 74 TRP H H 74 8.136 8.136 9.025 -0.889 25762 4001 1 6 . 1 1 75 75 GLY N N 75 109.881 109.881 110.149 -0.268 25762 4002 1 6 . 1 1 75 75 GLY C C 75 177.700 177.700 172.747 4.953 25762 4003 1 6 . 1 1 75 75 GLY CA C 75 44.287 44.287 44.727 -0.441 25762 4004 1 6 . 1 1 75 75 GLY H H 75 8.763 8.763 7.980 0.783 25762 4005 1 6 . 1 1 76 76 GLU N N 76 116.900 116.900 121.072 -4.172 25762 4006 1 6 . 1 1 76 76 GLU HA H 76 4.230 4.230 4.264 -0.034 25762 4007 1 6 . 1 1 76 76 GLU C C 76 177.770 177.770 175.329 2.441 25762 4008 1 6 . 1 1 76 76 GLU CA C 76 55.700 55.700 54.386 1.314 25762 4009 1 6 . 1 1 76 76 GLU CB C 76 30.600 30.600 30.635 -0.035 25762 4010 1 6 . 1 1 76 76 GLU H H 76 8.400 8.400 7.528 0.872 25762 4011 1 6 . 1 1 77 77 CYS N N 77 121.846 121.846 118.707 3.139 25762 4012 1 6 . 1 1 77 77 CYS HA H 77 4.150 4.150 4.245 -0.095 25762 4013 1 6 . 1 1 77 77 CYS C C 77 174.117 174.117 174.561 -0.444 25762 4014 1 6 . 1 1 77 77 CYS CA C 77 56.706 56.706 57.426 -0.720 25762 4015 1 6 . 1 1 77 77 CYS CB C 77 41.056 41.056 28.473 12.583 25762 4016 1 6 . 1 1 77 77 CYS H H 77 8.980 8.980 8.167 0.813 25762 4017 1 6 . 1 1 78 78 ASP N N 78 131.728 131.728 121.581 10.147 25762 4018 1 6 . 1 1 78 78 ASP HA H 78 3.370 3.370 5.042 -1.672 25762 4019 1 6 . 1 1 78 78 ASP C C 78 176.890 176.890 176.807 0.083 25762 4020 1 6 . 1 1 78 78 ASP CA C 78 53.492 53.492 54.001 -0.509 25762 4021 1 6 . 1 1 78 78 ASP CB C 78 41.819 41.819 41.961 -0.141 25762 4022 1 6 . 1 1 78 78 ASP H H 78 8.279 8.279 8.426 -0.147 25762 4023 1 6 . 1 1 79 79 LEU N N 79 127.191 127.191 126.481 0.710 25762 4024 1 6 . 1 1 79 79 LEU HA H 79 3.990 3.990 4.211 -0.221 25762 4025 1 6 . 1 1 79 79 LEU C C 79 178.627 178.627 177.997 0.630 25762 4026 1 6 . 1 1 79 79 LEU CA C 79 57.179 57.179 57.343 -0.164 25762 4027 1 6 . 1 1 79 79 LEU CB C 79 41.642 41.642 41.814 -0.172 25762 4028 1 6 . 1 1 79 79 LEU H H 79 8.763 8.763 8.670 0.093 25762 4029 1 6 . 1 1 80 80 ASN N N 80 116.238 116.238 117.533 -1.295 25762 4030 1 6 . 1 1 80 80 ASN HA H 80 4.590 4.590 4.566 0.024 25762 4031 1 6 . 1 1 80 80 ASN C C 80 176.905 176.905 176.554 0.351 25762 4032 1 6 . 1 1 80 80 ASN CA C 80 55.800 55.800 55.298 0.502 25762 4033 1 6 . 1 1 80 80 ASN CB C 80 39.151 39.151 38.506 0.645 25762 4034 1 6 . 1 1 80 80 ASN H H 80 8.746 8.746 8.256 0.490 25762 4035 1 6 . 1 1 81 81 THR N N 81 108.459 108.459 110.746 -2.287 25762 4036 1 6 . 1 1 81 81 THR HA H 81 4.240 4.240 4.400 -0.160 25762 4037 1 6 . 1 1 81 81 THR C C 81 174.727 174.727 174.476 0.251 25762 4038 1 6 . 1 1 81 81 THR CA C 81 61.540 61.540 61.470 0.070 25762 4039 1 6 . 1 1 81 81 THR CB C 81 70.900 70.900 69.691 1.209 25762 4040 1 6 . 1 1 81 81 THR H H 81 7.666 7.666 8.243 -0.577 25762 4041 1 6 . 1 1 82 82 ALA N N 82 122.870 122.870 121.741 1.129 25762 4042 1 6 . 1 1 82 82 ALA HA H 82 3.820 3.820 4.035 -0.215 25762 4043 1 6 . 1 1 82 82 ALA C C 82 176.506 176.506 175.577 0.929 25762 4044 1 6 . 1 1 82 82 ALA CA C 82 53.603 53.603 53.561 0.042 25762 4045 1 6 . 1 1 82 82 ALA CB C 82 17.013 17.013 17.424 -0.411 25762 4046 1 6 . 1 1 82 82 ALA H H 82 8.687 8.687 7.859 0.828 25762 4047 1 6 . 1 1 83 83 LEU N N 83 117.374 117.374 115.202 2.172 25762 4048 1 6 . 1 1 83 83 LEU HA H 83 5.031 5.031 4.946 0.085 25762 4049 1 6 . 1 1 83 83 LEU C C 83 177.616 177.616 175.070 2.546 25762 4050 1 6 . 1 1 83 83 LEU CA C 83 54.098 54.098 53.178 0.920 25762 4051 1 6 . 1 1 83 83 LEU CB C 83 46.622 46.622 46.518 0.104 25762 4052 1 6 . 1 1 83 83 LEU H H 83 7.353 7.353 7.759 -0.406 25762 4053 1 6 . 1 1 84 84 LYS N N 84 122.053 122.053 120.315 1.738 25762 4054 1 6 . 1 1 84 84 LYS HA H 84 4.940 4.940 4.691 0.249 25762 4055 1 6 . 1 1 84 84 LYS C C 84 175.449 175.449 174.745 0.704 25762 4056 1 6 . 1 1 84 84 LYS CA C 84 54.287 54.287 55.192 -0.905 25762 4057 1 6 . 1 1 84 84 LYS CB C 84 36.060 36.060 35.775 0.285 25762 4058 1 6 . 1 1 84 84 LYS H H 84 9.043 9.043 8.947 0.096 25762 4059 1 6 . 1 1 85 85 THR N N 85 114.896 114.896 121.009 -6.113 25762 4060 1 6 . 1 1 85 85 THR HA H 85 5.820 5.820 5.288 0.532 25762 4061 1 6 . 1 1 85 85 THR C C 85 174.123 174.123 173.619 0.504 25762 4062 1 6 . 1 1 85 85 THR CA C 85 61.226 61.226 61.313 -0.087 25762 4063 1 6 . 1 1 85 85 THR CB C 85 72.857 72.857 71.504 1.353 25762 4064 1 6 . 1 1 85 85 THR H H 85 9.011 9.011 8.618 0.393 25762 4065 1 6 . 1 1 86 86 ARG N N 86 123.804 123.804 124.518 -0.714 25762 4066 1 6 . 1 1 86 86 ARG C C 86 173.792 173.792 174.857 -1.065 25762 4067 1 6 . 1 1 86 86 ARG CA C 86 56.720 56.720 55.272 1.448 25762 4068 1 6 . 1 1 86 86 ARG CB C 86 33.185 33.185 34.424 -1.239 25762 4069 1 6 . 1 1 86 86 ARG H H 86 9.056 9.056 9.000 0.056 25762 4070 1 6 . 1 1 87 87 THR N N 87 117.796 117.796 118.521 -0.725 25762 4071 1 6 . 1 1 87 87 THR HA H 87 5.270 5.270 5.082 0.188 25762 4072 1 6 . 1 1 87 87 THR C C 87 173.939 173.939 173.793 0.146 25762 4073 1 6 . 1 1 87 87 THR CA C 87 61.003 61.003 61.543 -0.540 25762 4074 1 6 . 1 1 87 87 THR CB C 87 71.091 71.091 71.052 0.039 25762 4075 1 6 . 1 1 87 87 THR H H 87 8.387 8.387 8.646 -0.259 25762 4076 1 6 . 1 1 88 88 GLY N N 88 112.501 112.501 110.400 2.101 25762 4077 1 6 . 1 1 88 88 GLY C C 88 171.645 171.645 171.868 -0.223 25762 4078 1 6 . 1 1 88 88 GLY CA C 88 44.657 44.657 44.869 -0.212 25762 4079 1 6 . 1 1 88 88 GLY H H 88 9.074 9.074 9.154 -0.080 25762 4080 1 6 . 1 1 89 89 SER N N 89 115.802 115.802 115.731 0.071 25762 4081 1 6 . 1 1 89 89 SER HA H 89 5.260 5.260 5.173 0.087 25762 4082 1 6 . 1 1 89 89 SER C C 89 174.767 174.767 172.474 2.293 25762 4083 1 6 . 1 1 89 89 SER CA C 89 56.512 56.512 56.292 0.220 25762 4084 1 6 . 1 1 89 89 SER CB C 89 65.434 65.434 66.945 -1.511 25762 4085 1 6 . 1 1 89 89 SER H H 89 8.217 8.217 7.963 0.254 25762 4086 1 6 . 1 1 90 90 LEU N N 90 128.595 128.595 124.775 3.820 25762 4087 1 6 . 1 1 90 90 LEU HA H 90 3.420 3.420 4.272 -0.852 25762 4088 1 6 . 1 1 90 90 LEU C C 90 176.399 176.399 177.109 -0.710 25762 4089 1 6 . 1 1 90 90 LEU CA C 90 56.558 56.558 53.873 2.685 25762 4090 1 6 . 1 1 90 90 LEU CB C 90 43.006 43.006 42.358 0.649 25762 4091 1 6 . 1 1 90 90 LEU H H 90 8.555 8.555 8.468 0.087 25762 4092 1 6 . 1 1 91 91 LYS N N 91 128.646 128.646 125.281 3.365 25762 4093 1 6 . 1 1 91 91 LYS HA H 91 4.330 4.330 4.297 0.033 25762 4094 1 6 . 1 1 91 91 LYS C C 91 176.318 176.318 176.424 -0.106 25762 4095 1 6 . 1 1 91 91 LYS CA C 91 56.103 56.103 56.287 -0.184 25762 4096 1 6 . 1 1 91 91 LYS CB C 91 33.565 33.565 33.751 -0.186 25762 4097 1 6 . 1 1 91 91 LYS H H 91 9.065 9.065 8.698 0.367 25762 4098 1 6 . 1 1 92 92 ARG N N 92 118.834 118.834 119.526 -0.692 25762 4099 1 6 . 1 1 92 92 ARG HA H 92 4.220 4.220 4.376 -0.156 25762 4100 1 6 . 1 1 92 92 ARG C C 92 173.259 173.259 173.647 -0.388 25762 4101 1 6 . 1 1 92 92 ARG CA C 92 56.259 56.259 56.044 0.215 25762 4102 1 6 . 1 1 92 92 ARG CB C 92 32.623 32.623 32.998 -0.375 25762 4103 1 6 . 1 1 92 92 ARG H H 92 7.641 7.641 7.650 -0.009 25762 4104 1 6 . 1 1 93 93 ALA N N 93 127.574 127.574 126.730 0.844 25762 4105 1 6 . 1 1 93 93 ALA HA H 93 4.870 4.870 4.599 0.271 25762 4106 1 6 . 1 1 93 93 ALA C C 93 177.037 177.037 175.773 1.264 25762 4107 1 6 . 1 1 93 93 ALA CA C 93 50.949 50.949 51.554 -0.605 25762 4108 1 6 . 1 1 93 93 ALA CB C 93 21.664 21.664 20.587 1.077 25762 4109 1 6 . 1 1 93 93 ALA H H 93 8.451 8.451 8.394 0.057 25762 4110 1 6 . 1 1 94 94 LEU N N 94 123.296 123.296 122.019 1.277 25762 4111 1 6 . 1 1 94 94 LEU HA H 94 4.250 4.250 4.430 -0.180 25762 4112 1 6 . 1 1 94 94 LEU C C 94 177.256 177.256 178.671 -1.415 25762 4113 1 6 . 1 1 94 94 LEU CA C 94 55.137 55.137 53.585 1.552 25762 4114 1 6 . 1 1 94 94 LEU CB C 94 42.697 42.697 42.921 -0.224 25762 4115 1 6 . 1 1 94 94 LEU H H 94 8.654 8.654 8.292 0.362 25762 4116 1 6 . 1 1 95 95 HIS N N 95 116.413 116.413 118.706 -2.293 25762 4117 1 6 . 1 1 95 95 HIS HA H 95 4.430 4.430 4.450 -0.020 25762 4118 1 6 . 1 1 95 95 HIS C C 95 174.801 174.801 176.980 -2.179 25762 4119 1 6 . 1 1 95 95 HIS CA C 95 56.400 56.400 58.149 -1.749 25762 4120 1 6 . 1 1 95 95 HIS CB C 95 28.218 28.218 30.079 -1.861 25762 4121 1 6 . 1 1 95 95 HIS H H 95 8.642 8.642 8.337 0.305 25762 4122 1 6 . 1 1 96 96 ASN N N 96 115.824 115.824 119.482 -3.658 25762 4123 1 6 . 1 1 96 96 ASN HA H 96 4.450 4.450 4.752 -0.302 25762 4124 1 6 . 1 1 96 96 ASN C C 96 175.026 175.026 173.668 1.358 25762 4125 1 6 . 1 1 96 96 ASN CA C 96 53.692 53.692 52.694 0.999 25762 4126 1 6 . 1 1 96 96 ASN CB C 96 38.056 38.056 37.518 0.538 25762 4127 1 6 . 1 1 96 96 ASN H H 96 8.461 8.461 8.491 -0.030 25762 4128 1 6 . 1 1 97 97 ALA N N 97 122.558 122.558 121.520 1.038 25762 4129 1 6 . 1 1 97 97 ALA HA H 97 4.130 4.130 4.416 -0.286 25762 4130 1 6 . 1 1 97 97 ALA C C 97 177.337 177.337 175.445 1.892 25762 4131 1 6 . 1 1 97 97 ALA CA C 97 53.430 53.430 51.747 1.683 25762 4132 1 6 . 1 1 97 97 ALA CB C 97 20.204 20.204 21.316 -1.111 25762 4133 1 6 . 1 1 97 97 ALA H H 97 7.791 7.791 7.306 0.485 25762 4134 1 6 . 1 1 98 98 GLU N N 98 120.504 120.504 122.509 -2.005 25762 4135 1 6 . 1 1 98 98 GLU HA H 98 4.320 4.320 4.649 -0.329 25762 4136 1 6 . 1 1 98 98 GLU C C 98 176.154 176.154 175.587 0.567 25762 4137 1 6 . 1 1 98 98 GLU CA C 98 56.630 56.630 55.405 1.225 25762 4138 1 6 . 1 1 98 98 GLU CB C 98 29.496 29.496 30.530 -1.034 25762 4139 1 6 . 1 1 98 98 GLU H H 98 8.478 8.478 8.640 -0.162 25762 4140 1 6 . 1 1 99 99 CYS N N 99 122.399 122.399 121.835 0.564 25762 4141 1 6 . 1 1 99 99 CYS HA H 99 4.820 4.820 4.835 -0.015 25762 4142 1 6 . 1 1 99 99 CYS C C 99 174.711 174.711 174.454 0.257 25762 4143 1 6 . 1 1 99 99 CYS CA C 99 53.985 53.985 57.386 -3.401 25762 4144 1 6 . 1 1 99 99 CYS CB C 99 44.177 44.177 30.282 13.895 25762 4145 1 6 . 1 1 99 99 CYS H H 99 7.978 7.978 8.823 -0.845 25762 4146 1 6 . 1 1 100 100 GLN N N 100 123.539 123.539 124.264 -0.725 25762 4147 1 6 . 1 1 100 100 GLN HA H 100 4.300 4.300 4.311 -0.011 25762 4148 1 6 . 1 1 100 100 GLN C C 100 178.317 178.317 174.860 3.457 25762 4149 1 6 . 1 1 100 100 GLN CA C 100 56.157 56.157 55.882 0.275 25762 4150 1 6 . 1 1 100 100 GLN CB C 100 29.303 29.303 29.382 -0.079 25762 4151 1 6 . 1 1 100 100 GLN H H 100 8.864 8.864 8.603 0.261 25762 4152 1 6 . 1 1 101 101 LYS N N 101 125.153 125.153 120.617 4.536 25762 4153 1 6 . 1 1 101 101 LYS HA H 101 4.020 4.020 4.317 -0.297 25762 4154 1 6 . 1 1 101 101 LYS C C 101 176.669 176.669 176.140 0.529 25762 4155 1 6 . 1 1 101 101 LYS CA C 101 59.876 59.876 57.962 1.914 25762 4156 1 6 . 1 1 101 101 LYS CB C 101 32.760 32.760 33.441 -0.681 25762 4157 1 6 . 1 1 101 101 LYS H H 101 9.063 9.063 8.727 0.336 25762 4158 1 6 . 1 1 102 102 THR N N 102 111.208 111.208 112.076 -0.868 25762 4159 1 6 . 1 1 102 102 THR HA H 102 5.260 5.260 5.308 -0.048 25762 4160 1 6 . 1 1 102 102 THR C C 102 173.097 173.097 173.333 -0.236 25762 4161 1 6 . 1 1 102 102 THR CA C 102 59.922 59.922 60.938 -1.016 25762 4162 1 6 . 1 1 102 102 THR CB C 102 71.788 71.788 70.734 1.054 25762 4163 1 6 . 1 1 102 102 THR H H 102 7.706 7.706 7.600 0.106 25762 4164 1 6 . 1 1 103 103 VAL N N 103 117.395 117.395 120.315 -2.920 25762 4165 1 6 . 1 1 103 103 VAL HA H 103 4.510 4.510 4.663 -0.153 25762 4166 1 6 . 1 1 103 103 VAL C C 103 174.132 174.132 173.751 0.381 25762 4167 1 6 . 1 1 103 103 VAL CA C 103 59.538 59.538 60.162 -0.624 25762 4168 1 6 . 1 1 103 103 VAL CB C 103 35.523 35.523 35.199 0.324 25762 4169 1 6 . 1 1 103 103 VAL H H 103 8.192 8.192 9.246 -1.054 25762 4170 1 6 . 1 1 104 104 THR N N 104 117.862 117.862 117.867 -0.005 25762 4171 1 6 . 1 1 104 104 THR HA H 104 5.098 5.098 4.772 0.326 25762 4172 1 6 . 1 1 104 104 THR C C 104 173.646 173.646 174.231 -0.585 25762 4173 1 6 . 1 1 104 104 THR CA C 104 61.458 61.458 60.548 0.910 25762 4174 1 6 . 1 1 104 104 THR CB C 104 71.177 71.177 69.736 1.441 25762 4175 1 6 . 1 1 104 104 THR H H 104 8.332 8.332 8.299 0.033 25762 4176 1 6 . 1 1 105 105 ILE N N 105 124.431 124.431 126.799 -2.368 25762 4177 1 6 . 1 1 105 105 ILE HA H 105 4.670 4.670 4.518 0.152 25762 4178 1 6 . 1 1 105 105 ILE C C 105 174.296 174.296 173.852 0.444 25762 4179 1 6 . 1 1 105 105 ILE CA C 105 59.695 59.695 60.678 -0.983 25762 4180 1 6 . 1 1 105 105 ILE CB C 105 41.116 41.116 41.671 -0.555 25762 4181 1 6 . 1 1 105 105 ILE H H 105 8.868 8.868 8.398 0.470 25762 4182 1 6 . 1 1 106 106 SER N N 106 118.430 118.430 121.193 -2.763 25762 4183 1 6 . 1 1 106 106 SER HA H 106 3.760 3.760 5.025 -1.265 25762 4184 1 6 . 1 1 106 106 SER C C 106 173.441 173.441 173.191 0.250 25762 4185 1 6 . 1 1 106 106 SER CA C 106 56.877 56.877 56.850 0.027 25762 4186 1 6 . 1 1 106 106 SER CB C 106 67.115 67.115 64.918 2.197 25762 4187 1 6 . 1 1 106 106 SER H H 106 8.559 8.559 8.702 -0.143 25762 4188 1 6 . 1 1 107 107 LYS N N 107 121.976 121.976 126.036 -4.060 25762 4189 1 6 . 1 1 107 107 LYS CA C 107 53.625 53.625 52.737 0.888 25762 4190 1 6 . 1 1 107 107 LYS CB C 107 35.515 35.515 35.457 0.058 25762 4191 1 6 . 1 1 107 107 LYS H H 107 9.060 9.060 8.890 0.170 25762 4192 1 6 . 1 1 108 108 PRO HA H 108 4.940 4.940 4.398 0.542 25762 4193 1 6 . 1 1 108 108 PRO C C 108 176.741 176.741 176.157 0.584 25762 4194 1 6 . 1 1 108 108 PRO CA C 108 62.870 62.870 62.802 0.068 25762 4195 1 6 . 1 1 108 108 PRO CB C 108 32.590 32.590 31.080 1.510 25762 4196 1 6 . 1 1 109 109 CYS N N 109 118.313 118.313 127.125 -8.812 25762 4197 1 6 . 1 1 109 109 CYS HA H 109 4.501 4.501 4.621 -0.120 25762 4198 1 6 . 1 1 109 109 CYS C C 109 173.369 173.369 175.827 -2.458 25762 4199 1 6 . 1 1 109 109 CYS CA C 109 55.950 55.950 57.189 -1.239 25762 4200 1 6 . 1 1 109 109 CYS CB C 109 44.620 44.620 25.194 19.426 25762 4201 1 6 . 1 1 109 109 CYS H H 109 8.237 8.237 8.335 -0.098 25762 4202 1 6 . 1 1 110 110 GLY N N 110 108.677 108.677 113.272 -4.595 25762 4203 1 6 . 1 1 110 110 GLY C C 110 173.455 173.455 172.964 0.491 25762 4204 1 6 . 1 1 110 110 GLY CA C 110 45.276 45.276 45.889 -0.613 25762 4205 1 6 . 1 1 110 110 GLY H H 110 8.220 8.220 7.940 0.280 25762 4206 1 6 . 1 1 111 111 LYS N N 111 121.361 121.361 118.337 3.024 25762 4207 1 6 . 1 1 111 111 LYS HA H 111 4.270 4.270 4.009 0.261 25762 4208 1 6 . 1 1 111 111 LYS C C 111 176.597 176.597 174.991 1.606 25762 4209 1 6 . 1 1 111 111 LYS CA C 111 56.420 56.420 56.234 0.185 25762 4210 1 6 . 1 1 111 111 LYS CB C 111 33.470 33.470 31.262 2.208 25762 4211 1 6 . 1 1 111 111 LYS H H 111 8.239 8.239 8.311 -0.072 25762 4212 1 6 . 1 1 112 112 LEU N N 112 123.971 123.971 119.458 4.513 25762 4213 1 6 . 1 1 112 112 LEU HA H 112 4.410 4.410 4.172 0.238 25762 4214 1 6 . 1 1 112 112 LEU C C 112 177.404 177.404 175.406 1.998 25762 4215 1 6 . 1 1 112 112 LEU CA C 112 55.150 55.150 55.145 0.005 25762 4216 1 6 . 1 1 112 112 LEU CB C 112 42.349 42.349 41.908 0.441 25762 4217 1 6 . 1 1 112 112 LEU H H 112 8.340 8.340 7.956 0.384 25762 4218 1 6 . 1 1 113 113 THR N N 113 116.653 116.653 115.084 1.569 25762 4219 1 6 . 1 1 113 113 THR HA H 113 4.310 4.310 4.419 -0.109 25762 4220 1 6 . 1 1 113 113 THR C C 113 174.082 174.082 174.358 -0.276 25762 4221 1 6 . 1 1 113 113 THR CA C 113 61.676 61.676 61.894 -0.218 25762 4222 1 6 . 1 1 113 113 THR CB C 113 69.090 69.090 69.358 -0.268 25762 4223 1 6 . 1 1 113 113 THR H H 113 8.150 8.150 8.215 -0.065 25762 4224 1 6 . 1 1 114 114 LYS N N 114 125.770 125.770 127.407 -1.637 25762 4225 1 6 . 1 1 114 114 LYS CA C 114 54.157 54.157 54.387 -0.230 25762 4226 1 6 . 1 1 114 114 LYS CB C 114 32.820 32.820 32.066 0.754 25762 4227 1 6 . 1 1 114 114 LYS H H 114 8.290 8.290 8.232 0.058 25762 4228 1 6 . 1 1 115 115 PRO HA H 115 4.350 4.350 4.290 0.060 25762 4229 1 6 . 1 1 115 115 PRO C C 115 176.679 176.679 176.514 0.165 25762 4230 1 6 . 1 1 115 115 PRO CA C 115 62.960 62.960 63.216 -0.256 25762 4231 1 6 . 1 1 115 115 PRO CB C 115 31.860 31.860 31.805 0.055 25762 4232 1 6 . 1 1 116 116 LYS N N 116 123.818 123.818 117.592 6.226 25762 4233 1 6 . 1 1 116 116 LYS CA C 116 54.338 54.338 56.276 -1.938 25762 4234 1 6 . 1 1 116 116 LYS CB C 116 32.913 32.913 30.685 2.228 25762 4235 1 6 . 1 1 116 116 LYS H H 116 8.441 8.441 8.354 0.087 25762 4236 1 6 . 1 1 117 117 PRO HA H 117 4.403 4.403 4.329 0.074 25762 4237 1 6 . 1 1 117 117 PRO C C 117 177.038 177.038 177.657 -0.619 25762 4238 1 6 . 1 1 117 117 PRO CA C 117 63.360 63.360 63.292 0.068 25762 4239 1 6 . 1 1 117 117 PRO CB C 117 32.060 32.060 30.737 1.323 25762 4240 1 6 . 1 1 118 118 GLN N N 118 121.596 121.596 124.509 -2.913 25762 4241 1 6 . 1 1 118 118 GLN HA H 118 4.270 4.270 3.788 0.482 25762 4242 1 6 . 1 1 118 118 GLN C C 118 175.963 175.963 175.190 0.773 25762 4243 1 6 . 1 1 118 118 GLN CA C 118 55.916 55.916 57.431 -1.514 25762 4244 1 6 . 1 1 118 118 GLN CB C 118 29.743 29.743 28.013 1.730 25762 4245 1 6 . 1 1 118 118 GLN H H 118 8.510 8.510 8.571 -0.061 25762 4246 1 6 . 1 1 119 119 ALA N N 119 126.073 126.073 121.672 4.401 25762 4247 1 6 . 1 1 119 119 ALA HA H 119 4.270 4.270 4.066 0.204 25762 4248 1 6 . 1 1 119 119 ALA C C 119 177.921 177.921 177.002 0.919 25762 4249 1 6 . 1 1 119 119 ALA CA C 119 52.765 52.765 52.861 -0.096 25762 4250 1 6 . 1 1 119 119 ALA CB C 119 19.501 19.501 18.335 1.166 25762 4251 1 6 . 1 1 119 119 ALA H H 119 8.389 8.389 8.162 0.227 25762 4252 1 6 . 1 1 120 120 GLU N N 120 121.107 121.107 122.735 -1.628 25762 4253 1 6 . 1 1 120 120 GLU HA H 120 4.260 4.260 4.281 -0.021 25762 4254 1 6 . 1 1 120 120 GLU C C 120 176.819 176.819 176.705 0.114 25762 4255 1 6 . 1 1 120 120 GLU CA C 120 56.680 56.680 56.354 0.326 25762 4256 1 6 . 1 1 120 120 GLU CB C 120 30.482 30.482 30.470 0.012 25762 4257 1 6 . 1 1 120 120 GLU H H 120 8.441 8.441 8.721 -0.280 25762 4258 1 6 . 1 1 121 121 SER N N 121 117.791 117.791 115.605 2.186 25762 4259 1 6 . 1 1 121 121 SER HA H 121 4.410 4.410 4.620 -0.210 25762 4260 1 6 . 1 1 121 121 SER C C 121 174.892 174.892 173.556 1.336 25762 4261 1 6 . 1 1 121 121 SER CA C 121 58.548 58.548 57.391 1.157 25762 4262 1 6 . 1 1 121 121 SER CB C 121 63.668 63.668 64.364 -0.696 25762 4263 1 6 . 1 1 121 121 SER H H 121 8.379 8.379 7.891 0.488 25762 4264 1 6 . 1 1 122 122 LYS N N 122 123.955 123.955 123.908 0.047 25762 4265 1 6 . 1 1 122 122 LYS CA C 122 56.474 56.474 56.734 -0.260 25762 4266 1 6 . 1 1 122 122 LYS CB C 122 33.335 33.335 32.769 0.566 25762 4267 1 6 . 1 1 122 122 LYS H H 122 8.329 8.329 8.553 -0.224 25762 4268 1 6 . 1 1 125 125 LYS HA H 125 4.310 4.310 4.344 -0.034 25762 4269 1 6 . 1 1 125 125 LYS C C 125 176.721 176.721 176.428 0.293 25762 4270 1 6 . 1 1 125 125 LYS CA C 125 56.580 56.580 56.988 -0.408 25762 4271 1 6 . 1 1 125 125 LYS CB C 125 32.810 32.810 32.855 -0.045 25762 4272 1 6 . 1 1 126 126 LYS N N 126 122.569 122.569 120.230 2.339 25762 4273 1 6 . 1 1 126 126 LYS HA H 126 4.320 4.320 4.285 0.035 25762 4274 1 6 . 1 1 126 126 LYS C C 126 176.512 176.512 176.276 0.236 25762 4275 1 6 . 1 1 126 126 LYS CA C 126 56.440 56.440 55.942 0.498 25762 4276 1 6 . 1 1 126 126 LYS CB C 126 33.057 33.057 32.989 0.069 25762 4277 1 6 . 1 1 126 126 LYS H H 126 8.169 8.169 7.542 0.627 25762 4278 1 6 . 1 1 127 127 GLU N N 127 123.450 123.450 115.640 7.810 25762 4279 1 6 . 1 1 127 127 GLU HA H 127 4.310 4.310 4.119 0.191 25762 4280 1 6 . 1 1 127 127 GLU C C 127 176.800 176.800 176.822 -0.022 25762 4281 1 6 . 1 1 127 127 GLU CA C 127 56.474 56.474 57.029 -0.555 25762 4282 1 6 . 1 1 127 127 GLU CB C 127 30.620 30.620 28.085 2.534 25762 4283 1 6 . 1 1 127 127 GLU H H 127 8.459 8.459 8.818 -0.359 25762 4284 1 6 . 1 1 128 128 GLY N N 128 110.800 110.800 108.417 2.383 25762 4285 1 6 . 1 1 128 128 GLY CA C 128 45.300 45.300 44.681 0.619 25762 4286 1 6 . 1 1 128 128 GLY H H 128 8.440 8.440 8.439 0.001 25762 4287 1 6 . 1 1 129 129 LYS HA H 129 4.270 4.270 4.320 -0.050 25762 4288 1 6 . 1 1 129 129 LYS C C 129 176.516 176.516 176.622 -0.106 25762 4289 1 6 . 1 1 129 129 LYS CA C 129 56.480 56.480 54.785 1.695 25762 4290 1 6 . 1 1 129 129 LYS CB C 129 32.860 32.860 32.102 0.758 25762 4291 1 6 . 1 1 130 130 LYS N N 130 124.071 124.071 128.504 -4.433 25762 4292 1 6 . 1 1 130 130 LYS HA H 130 4.270 4.270 4.242 0.028 25762 4293 1 6 . 1 1 130 130 LYS C C 130 176.545 176.545 176.022 0.523 25762 4294 1 6 . 1 1 130 130 LYS CA C 130 56.495 56.495 56.494 0.001 25762 4295 1 6 . 1 1 130 130 LYS CB C 130 33.020 33.020 30.902 2.118 25762 4296 1 6 . 1 1 130 130 LYS H H 130 8.409 8.409 8.790 -0.381 25762 4297 1 6 . 1 1 131 131 GLN N N 131 122.710 122.710 117.873 4.837 25762 4298 1 6 . 1 1 131 131 GLN HA H 131 4.440 4.440 3.798 0.642 25762 4299 1 6 . 1 1 131 131 GLN C C 131 175.866 175.866 175.646 0.220 25762 4300 1 6 . 1 1 131 131 GLN CA C 131 56.016 56.016 57.911 -1.895 25762 4301 1 6 . 1 1 131 131 GLN CB C 131 29.663 29.663 27.423 2.240 25762 4302 1 6 . 1 1 131 131 GLN H H 131 8.467 8.467 8.485 -0.018 25762 4303 1 6 . 1 1 132 132 GLU N N 132 123.586 123.586 119.958 3.628 25762 4304 1 6 . 1 1 132 132 GLU HA H 132 4.250 4.250 4.546 -0.296 25762 4305 1 6 . 1 1 132 132 GLU C C 132 176.354 176.354 174.934 1.420 25762 4306 1 6 . 1 1 132 132 GLU CA C 132 56.537 56.537 55.865 0.672 25762 4307 1 6 . 1 1 132 132 GLU CB C 132 30.614 30.614 32.036 -1.422 25762 4308 1 6 . 1 1 132 132 GLU H H 132 8.490 8.490 8.487 0.003 25762 4309 1 6 . 1 1 133 133 LYS N N 133 123.918 123.918 123.722 0.196 25762 4310 1 6 . 1 1 133 133 LYS HA H 133 4.280 4.280 4.475 -0.195 25762 4311 1 6 . 1 1 133 133 LYS C C 133 176.232 176.232 176.292 -0.060 25762 4312 1 6 . 1 1 133 133 LYS CA C 133 56.311 56.311 55.950 0.361 25762 4313 1 6 . 1 1 133 133 LYS CB C 133 33.137 33.137 32.801 0.336 25762 4314 1 6 . 1 1 133 133 LYS H H 133 8.373 8.373 8.573 -0.200 25762 4315 1 6 . 1 1 134 134 MET N N 134 122.994 122.994 125.316 -2.322 25762 4316 1 6 . 1 1 134 134 MET HA H 134 4.480 4.480 4.452 0.028 25762 4317 1 6 . 1 1 134 134 MET C C 134 175.946 175.946 176.352 -0.406 25762 4318 1 6 . 1 1 134 134 MET CA C 134 55.563 55.563 55.829 -0.266 25762 4319 1 6 . 1 1 134 134 MET CB C 134 32.010 32.010 32.101 -0.091 25762 4320 1 6 . 1 1 134 134 MET H H 134 8.436 8.436 8.628 -0.192 25762 4321 1 6 . 1 1 135 135 LEU N N 135 124.454 124.454 122.456 1.998 25762 4322 1 6 . 1 1 135 135 LEU HA H 135 4.380 4.380 4.055 0.325 25762 4323 1 6 . 1 1 135 135 LEU C C 135 176.158 176.158 175.509 0.649 25762 4324 1 6 . 1 1 135 135 LEU CA C 135 55.225 55.225 55.072 0.153 25762 4325 1 6 . 1 1 135 135 LEU CB C 135 42.654 42.654 41.872 0.782 25762 4326 1 6 . 1 1 135 135 LEU H H 135 8.285 8.285 8.522 -0.237 25762 4327 1 7 . 1 1 2 2 LYS N N 2 121.740 121.740 119.270 2.470 25762 4328 1 7 . 1 1 2 2 LYS CA C 2 56.298 56.298 56.597 -0.299 25762 4329 1 7 . 1 1 2 2 LYS CB C 2 33.384 33.384 32.999 0.385 25762 4330 1 7 . 1 1 2 2 LYS H H 2 8.229 8.229 8.224 0.005 25762 4331 1 7 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.557 -0.157 25762 4332 1 7 . 1 1 6 6 PRO C C 6 176.964 176.964 176.709 0.255 25762 4333 1 7 . 1 1 6 6 PRO CA C 6 63.200 63.200 62.736 0.464 25762 4334 1 7 . 1 1 6 6 PRO CB C 6 32.100 32.100 32.343 -0.243 25762 4335 1 7 . 1 1 7 7 GLU N N 7 122.285 122.285 119.677 2.608 25762 4336 1 7 . 1 1 7 7 GLU HA H 7 4.260 4.260 4.342 -0.082 25762 4337 1 7 . 1 1 7 7 GLU C C 7 176.226 176.226 175.820 0.406 25762 4338 1 7 . 1 1 7 7 GLU CA C 7 56.493 56.493 55.577 0.916 25762 4339 1 7 . 1 1 7 7 GLU CB C 7 30.610 30.610 27.016 3.594 25762 4340 1 7 . 1 1 7 7 GLU H H 7 8.551 8.551 8.651 -0.100 25762 4341 1 7 . 1 1 8 8 LYS N N 8 122.572 122.572 123.660 -1.088 25762 4342 1 7 . 1 1 8 8 LYS HA H 8 4.310 4.310 4.182 0.128 25762 4343 1 7 . 1 1 8 8 LYS C C 8 176.541 176.541 176.637 -0.096 25762 4344 1 7 . 1 1 8 8 LYS CA C 8 56.440 56.440 56.641 -0.201 25762 4345 1 7 . 1 1 8 8 LYS CB C 8 33.195 33.195 32.830 0.365 25762 4346 1 7 . 1 1 8 8 LYS H H 8 8.346 8.346 7.908 0.438 25762 4347 1 7 . 1 1 9 9 LYS N N 9 123.843 123.843 123.217 0.626 25762 4348 1 7 . 1 1 9 9 LYS HA H 9 4.330 4.330 4.476 -0.146 25762 4349 1 7 . 1 1 9 9 LYS C C 9 176.390 176.390 176.579 -0.189 25762 4350 1 7 . 1 1 9 9 LYS CA C 9 56.537 56.537 55.703 0.834 25762 4351 1 7 . 1 1 9 9 LYS CB C 9 33.160 33.160 33.163 -0.003 25762 4352 1 7 . 1 1 9 9 LYS H H 9 8.505 8.505 8.374 0.131 25762 4353 1 7 . 1 1 10 10 VAL N N 10 123.043 123.043 120.741 2.302 25762 4354 1 7 . 1 1 10 10 VAL HA H 10 4.080 4.080 4.324 -0.244 25762 4355 1 7 . 1 1 10 10 VAL C C 10 175.887 175.887 175.272 0.615 25762 4356 1 7 . 1 1 10 10 VAL CA C 10 62.159 62.159 61.888 0.271 25762 4357 1 7 . 1 1 10 10 VAL CB C 10 33.080 33.080 33.138 -0.058 25762 4358 1 7 . 1 1 10 10 VAL H H 10 8.206 8.206 8.273 -0.067 25762 4359 1 7 . 1 1 11 11 LYS N N 11 126.952 126.952 126.542 0.410 25762 4360 1 7 . 1 1 11 11 LYS HA H 11 4.320 4.320 4.557 -0.237 25762 4361 1 7 . 1 1 11 11 LYS C C 11 176.257 176.257 177.178 -0.921 25762 4362 1 7 . 1 1 11 11 LYS CA C 11 56.085 56.085 55.879 0.206 25762 4363 1 7 . 1 1 11 11 LYS CB C 11 33.320 33.320 32.146 1.174 25762 4364 1 7 . 1 1 11 11 LYS H H 11 8.433 8.433 8.543 -0.110 25762 4365 1 7 . 1 1 12 12 LYS N N 12 125.023 125.023 122.982 2.041 25762 4366 1 7 . 1 1 12 12 LYS HA H 12 4.260 4.260 4.061 0.199 25762 4367 1 7 . 1 1 12 12 LYS C C 12 176.306 176.306 175.824 0.482 25762 4368 1 7 . 1 1 12 12 LYS CA C 12 56.605 56.605 57.494 -0.889 25762 4369 1 7 . 1 1 12 12 LYS CB C 12 33.443 33.443 32.617 0.826 25762 4370 1 7 . 1 1 12 12 LYS H H 12 8.446 8.446 8.540 -0.094 25762 4371 1 7 . 1 1 13 13 SER N N 13 117.836 117.836 113.289 4.547 25762 4372 1 7 . 1 1 13 13 SER HA H 13 4.460 4.460 4.253 0.207 25762 4373 1 7 . 1 1 13 13 SER C C 13 174.456 174.456 172.614 1.842 25762 4374 1 7 . 1 1 13 13 SER CA C 13 57.950 57.950 58.601 -0.651 25762 4375 1 7 . 1 1 13 13 SER CB C 13 64.048 64.048 62.843 1.205 25762 4376 1 7 . 1 1 13 13 SER H H 13 8.353 8.353 8.236 0.117 25762 4377 1 7 . 1 1 14 14 ASP N N 14 124.256 124.256 119.889 4.367 25762 4378 1 7 . 1 1 14 14 ASP HA H 14 4.570 4.570 4.597 -0.027 25762 4379 1 7 . 1 1 14 14 ASP C C 14 175.559 175.559 177.138 -1.579 25762 4380 1 7 . 1 1 14 14 ASP CA C 14 54.045 54.045 54.211 -0.166 25762 4381 1 7 . 1 1 14 14 ASP CB C 14 41.037 41.037 41.786 -0.749 25762 4382 1 7 . 1 1 14 14 ASP H H 14 8.479 8.479 8.245 0.234 25762 4383 1 7 . 1 1 15 15 CYS N N 15 117.954 117.954 122.856 -4.902 25762 4384 1 7 . 1 1 15 15 CYS HA H 15 4.650 4.650 4.137 0.513 25762 4385 1 7 . 1 1 15 15 CYS C C 15 175.354 175.354 175.251 0.103 25762 4386 1 7 . 1 1 15 15 CYS CA C 15 55.413 55.413 60.304 -4.891 25762 4387 1 7 . 1 1 15 15 CYS CB C 15 43.497 43.497 27.366 16.131 25762 4388 1 7 . 1 1 15 15 CYS H H 15 7.901 7.901 8.814 -0.913 25762 4389 1 7 . 1 1 16 16 GLY N N 16 112.694 112.694 105.559 7.135 25762 4390 1 7 . 1 1 16 16 GLY C C 16 172.300 172.300 171.906 0.394 25762 4391 1 7 . 1 1 16 16 GLY CA C 16 44.224 44.224 44.627 -0.403 25762 4392 1 7 . 1 1 16 16 GLY H H 16 8.447 8.447 7.921 0.526 25762 4393 1 7 . 1 1 17 17 GLU N N 17 118.500 118.500 119.474 -0.974 25762 4394 1 7 . 1 1 17 17 GLU HA H 17 4.090 4.090 4.276 -0.186 25762 4395 1 7 . 1 1 17 17 GLU C C 17 177.571 177.571 176.605 0.966 25762 4396 1 7 . 1 1 17 17 GLU CA C 17 55.900 55.900 55.386 0.514 25762 4397 1 7 . 1 1 17 17 GLU CB C 17 30.500 30.500 31.280 -0.780 25762 4398 1 7 . 1 1 17 17 GLU H H 17 8.250 8.250 8.349 -0.099 25762 4399 1 7 . 1 1 18 18 TRP N N 18 122.718 122.718 120.714 2.004 25762 4400 1 7 . 1 1 18 18 TRP HA H 18 4.040 4.040 4.168 -0.128 25762 4401 1 7 . 1 1 18 18 TRP C C 18 176.310 176.310 176.619 -0.309 25762 4402 1 7 . 1 1 18 18 TRP CA C 18 58.515 58.515 57.974 0.541 25762 4403 1 7 . 1 1 18 18 TRP CB C 18 30.365 30.365 29.003 1.362 25762 4404 1 7 . 1 1 18 18 TRP H H 18 8.319 8.319 8.290 0.029 25762 4405 1 7 . 1 1 19 19 GLN N N 19 123.305 123.305 122.070 1.235 25762 4406 1 7 . 1 1 19 19 GLN HA H 19 4.530 4.530 4.442 0.088 25762 4407 1 7 . 1 1 19 19 GLN C C 19 175.571 175.571 175.102 0.469 25762 4408 1 7 . 1 1 19 19 GLN CA C 19 54.186 54.186 54.814 -0.628 25762 4409 1 7 . 1 1 19 19 GLN CB C 19 29.897 29.897 29.852 0.045 25762 4410 1 7 . 1 1 19 19 GLN H H 19 9.140 9.140 8.841 0.299 25762 4411 1 7 . 1 1 20 20 TRP N N 20 125.311 125.311 126.728 -1.417 25762 4412 1 7 . 1 1 20 20 TRP HA H 20 5.290 5.290 4.808 0.482 25762 4413 1 7 . 1 1 20 20 TRP C C 20 177.596 177.596 176.760 0.836 25762 4414 1 7 . 1 1 20 20 TRP CA C 20 56.651 56.651 56.602 0.049 25762 4415 1 7 . 1 1 20 20 TRP CB C 20 32.720 32.720 30.653 2.067 25762 4416 1 7 . 1 1 20 20 TRP H H 20 8.783 8.783 8.767 0.016 25762 4417 1 7 . 1 1 21 21 SER N N 21 120.041 120.041 117.433 2.608 25762 4418 1 7 . 1 1 21 21 SER HA H 21 4.440 4.440 4.818 -0.378 25762 4419 1 7 . 1 1 21 21 SER C C 21 173.795 173.795 174.036 -0.241 25762 4420 1 7 . 1 1 21 21 SER CA C 21 57.292 57.292 57.926 -0.634 25762 4421 1 7 . 1 1 21 21 SER CB C 21 65.435 65.435 64.244 1.191 25762 4422 1 7 . 1 1 21 21 SER H H 21 9.173 9.173 8.586 0.587 25762 4423 1 7 . 1 1 22 22 VAL N N 22 115.336 115.336 118.288 -2.952 25762 4424 1 7 . 1 1 22 22 VAL HA H 22 4.130 4.130 4.345 -0.215 25762 4425 1 7 . 1 1 22 22 VAL C C 22 175.183 175.183 175.740 -0.557 25762 4426 1 7 . 1 1 22 22 VAL CA C 22 62.008 62.008 61.555 0.453 25762 4427 1 7 . 1 1 22 22 VAL CB C 22 32.859 32.859 32.702 0.157 25762 4428 1 7 . 1 1 22 22 VAL H H 22 8.099 8.099 8.124 -0.025 25762 4429 1 7 . 1 1 23 23 CYS N N 23 122.154 122.154 126.689 -4.535 25762 4430 1 7 . 1 1 23 23 CYS HA H 23 4.330 4.330 4.416 -0.086 25762 4431 1 7 . 1 1 23 23 CYS C C 23 173.335 173.335 175.660 -2.325 25762 4432 1 7 . 1 1 23 23 CYS CA C 23 56.598 56.598 59.619 -3.021 25762 4433 1 7 . 1 1 23 23 CYS CB C 23 42.166 42.166 25.373 16.793 25762 4434 1 7 . 1 1 23 23 CYS H H 23 8.433 8.433 8.580 -0.147 25762 4435 1 7 . 1 1 24 24 VAL N N 24 133.008 133.008 128.350 4.658 25762 4436 1 7 . 1 1 24 24 VAL HA H 24 4.260 4.260 4.375 -0.115 25762 4437 1 7 . 1 1 24 24 VAL CA C 24 59.409 59.409 60.493 -1.084 25762 4438 1 7 . 1 1 24 24 VAL CB C 24 33.572 33.572 32.544 1.028 25762 4439 1 7 . 1 1 24 24 VAL H H 24 8.790 8.790 8.854 -0.064 25762 4440 1 7 . 1 1 25 25 PRO HA H 25 4.380 4.380 4.529 -0.149 25762 4441 1 7 . 1 1 25 25 PRO C C 25 176.853 176.853 176.672 0.181 25762 4442 1 7 . 1 1 25 25 PRO CA C 25 62.700 62.700 63.416 -0.716 25762 4443 1 7 . 1 1 25 25 PRO CB C 25 31.600 31.600 32.379 -0.779 25762 4444 1 7 . 1 1 26 26 THR N N 26 121.729 121.729 116.602 5.127 25762 4445 1 7 . 1 1 26 26 THR HA H 26 3.970 3.970 4.543 -0.573 25762 4446 1 7 . 1 1 26 26 THR C C 26 174.891 174.891 174.408 0.483 25762 4447 1 7 . 1 1 26 26 THR CA C 26 65.598 65.598 61.656 3.942 25762 4448 1 7 . 1 1 26 26 THR CB C 26 69.136 69.136 70.085 -0.949 25762 4449 1 7 . 1 1 26 26 THR H H 26 9.199 9.199 8.479 0.720 25762 4450 1 7 . 1 1 27 27 SER N N 27 115.495 115.495 114.417 1.078 25762 4451 1 7 . 1 1 27 27 SER HA H 27 4.590 4.590 4.197 0.393 25762 4452 1 7 . 1 1 27 27 SER C C 27 173.700 173.700 174.040 -0.340 25762 4453 1 7 . 1 1 27 27 SER CA C 27 57.326 57.326 59.382 -2.056 25762 4454 1 7 . 1 1 27 27 SER CB C 27 64.749 64.749 63.010 1.739 25762 4455 1 7 . 1 1 27 27 SER H H 27 8.676 8.676 8.126 0.550 25762 4456 1 7 . 1 1 28 28 GLY N N 28 111.492 111.492 111.351 0.141 25762 4457 1 7 . 1 1 28 28 GLY C C 28 173.803 173.803 173.853 -0.050 25762 4458 1 7 . 1 1 28 28 GLY CA C 28 45.965 45.965 44.941 1.024 25762 4459 1 7 . 1 1 28 28 GLY H H 28 8.482 8.482 8.744 -0.262 25762 4460 1 7 . 1 1 29 29 ASP N N 29 118.893 118.893 120.752 -1.859 25762 4461 1 7 . 1 1 29 29 ASP HA H 29 4.750 4.750 4.239 0.511 25762 4462 1 7 . 1 1 29 29 ASP C C 29 175.806 175.806 175.623 0.183 25762 4463 1 7 . 1 1 29 29 ASP CA C 29 53.476 53.476 55.232 -1.756 25762 4464 1 7 . 1 1 29 29 ASP CB C 29 42.140 42.140 40.319 1.821 25762 4465 1 7 . 1 1 29 29 ASP H H 29 8.412 8.412 8.660 -0.248 25762 4466 1 7 . 1 1 30 30 CYS N N 30 113.937 113.937 117.356 -3.419 25762 4467 1 7 . 1 1 30 30 CYS HA H 30 3.840 3.840 4.290 -0.450 25762 4468 1 7 . 1 1 30 30 CYS C C 30 170.767 170.767 173.454 -2.687 25762 4469 1 7 . 1 1 30 30 CYS CA C 30 56.060 56.060 59.135 -3.075 25762 4470 1 7 . 1 1 30 30 CYS CB C 30 47.900 47.900 26.451 21.448 25762 4471 1 7 . 1 1 30 30 CYS H H 30 7.983 7.983 8.357 -0.374 25762 4472 1 7 . 1 1 31 31 GLY N N 31 110.972 110.972 111.841 -0.869 25762 4473 1 7 . 1 1 31 31 GLY C C 31 173.804 173.804 172.648 1.156 25762 4474 1 7 . 1 1 31 31 GLY CA C 31 44.043 44.043 43.715 0.328 25762 4475 1 7 . 1 1 31 31 GLY H H 31 9.376 9.376 8.228 1.148 25762 4476 1 7 . 1 1 32 32 LEU N N 32 123.077 123.077 121.789 1.288 25762 4477 1 7 . 1 1 32 32 LEU HA H 32 4.440 4.440 4.765 -0.325 25762 4478 1 7 . 1 1 32 32 LEU C C 32 177.802 177.802 177.497 0.305 25762 4479 1 7 . 1 1 32 32 LEU CA C 32 55.904 55.904 54.261 1.643 25762 4480 1 7 . 1 1 32 32 LEU CB C 32 42.825 42.825 41.492 1.333 25762 4481 1 7 . 1 1 32 32 LEU H H 32 8.493 8.493 8.170 0.323 25762 4482 1 7 . 1 1 33 33 GLY N N 33 110.436 110.436 110.820 -0.384 25762 4483 1 7 . 1 1 33 33 GLY C C 33 174.279 174.279 172.938 1.341 25762 4484 1 7 . 1 1 33 33 GLY CA C 33 45.930 45.930 44.534 1.396 25762 4485 1 7 . 1 1 33 33 GLY H H 33 8.658 8.658 8.986 -0.328 25762 4486 1 7 . 1 1 34 34 THR N N 34 113.118 113.118 112.211 0.907 25762 4487 1 7 . 1 1 34 34 THR HA H 34 5.166 5.166 5.112 0.054 25762 4488 1 7 . 1 1 34 34 THR C C 34 173.246 173.246 172.787 0.459 25762 4489 1 7 . 1 1 34 34 THR CA C 34 60.776 60.776 60.925 -0.149 25762 4490 1 7 . 1 1 34 34 THR CB C 34 72.892 72.892 72.603 0.289 25762 4491 1 7 . 1 1 34 34 THR H H 34 8.040 8.040 8.525 -0.485 25762 4492 1 7 . 1 1 35 35 ARG N N 35 120.371 120.371 120.309 0.062 25762 4493 1 7 . 1 1 35 35 ARG HA H 35 4.980 4.980 4.743 0.237 25762 4494 1 7 . 1 1 35 35 ARG C C 35 173.802 173.802 173.720 0.082 25762 4495 1 7 . 1 1 35 35 ARG CA C 35 54.100 54.100 55.416 -1.316 25762 4496 1 7 . 1 1 35 35 ARG CB C 35 33.790 33.790 34.251 -0.460 25762 4497 1 7 . 1 1 35 35 ARG H H 35 9.104 9.104 9.294 -0.190 25762 4498 1 7 . 1 1 36 36 GLU N N 36 122.259 122.259 124.859 -2.600 25762 4499 1 7 . 1 1 36 36 GLU HA H 36 5.160 5.160 5.245 -0.085 25762 4500 1 7 . 1 1 36 36 GLU C C 36 175.960 175.960 174.861 1.099 25762 4501 1 7 . 1 1 36 36 GLU CA C 36 55.209 55.209 54.949 0.260 25762 4502 1 7 . 1 1 36 36 GLU CB C 36 32.652 32.652 33.323 -0.671 25762 4503 1 7 . 1 1 36 36 GLU H H 36 8.750 8.750 8.711 0.039 25762 4504 1 7 . 1 1 37 37 GLY N N 37 116.895 116.895 110.969 5.926 25762 4505 1 7 . 1 1 37 37 GLY C C 37 173.097 173.097 172.635 0.462 25762 4506 1 7 . 1 1 37 37 GLY CA C 37 44.195 44.195 44.106 0.089 25762 4507 1 7 . 1 1 37 37 GLY H H 37 9.479 9.479 9.172 0.307 25762 4508 1 7 . 1 1 38 38 THR N N 38 114.848 114.848 114.542 0.306 25762 4509 1 7 . 1 1 38 38 THR HA H 38 5.540 5.540 5.483 0.057 25762 4510 1 7 . 1 1 38 38 THR C C 38 173.004 173.004 173.111 -0.107 25762 4511 1 7 . 1 1 38 38 THR CA C 38 59.751 59.751 60.230 -0.479 25762 4512 1 7 . 1 1 38 38 THR CB C 38 72.666 72.666 72.067 0.599 25762 4513 1 7 . 1 1 38 38 THR H H 38 8.485 8.485 8.376 0.109 25762 4514 1 7 . 1 1 39 39 ARG N N 39 119.072 119.072 122.679 -3.607 25762 4515 1 7 . 1 1 39 39 ARG HA H 39 4.640 4.640 4.561 0.079 25762 4516 1 7 . 1 1 39 39 ARG C C 39 174.649 174.649 173.592 1.057 25762 4517 1 7 . 1 1 39 39 ARG CA C 39 54.587 54.587 55.053 -0.466 25762 4518 1 7 . 1 1 39 39 ARG CB C 39 33.285 33.285 34.058 -0.773 25762 4519 1 7 . 1 1 39 39 ARG H H 39 8.231 8.231 9.089 -0.858 25762 4520 1 7 . 1 1 40 40 THR N N 40 111.009 111.009 114.174 -3.165 25762 4521 1 7 . 1 1 40 40 THR HA H 40 4.440 4.440 5.371 -0.931 25762 4522 1 7 . 1 1 40 40 THR C C 40 173.890 173.890 174.733 -0.843 25762 4523 1 7 . 1 1 40 40 THR CA C 40 60.431 60.431 59.964 0.467 25762 4524 1 7 . 1 1 40 40 THR CB C 40 71.163 71.163 71.049 0.114 25762 4525 1 7 . 1 1 40 40 THR H H 40 8.097 8.097 8.120 -0.023 25762 4526 1 7 . 1 1 41 41 GLY N N 41 110.094 110.094 107.548 2.546 25762 4527 1 7 . 1 1 41 41 GLY C C 41 174.489 174.489 174.707 -0.218 25762 4528 1 7 . 1 1 41 41 GLY CA C 41 45.487 45.487 43.310 2.177 25762 4529 1 7 . 1 1 41 41 GLY H H 41 8.146 8.146 8.393 -0.247 25762 4530 1 7 . 1 1 42 42 ALA N N 42 130.030 130.030 121.666 8.364 25762 4531 1 7 . 1 1 42 42 ALA HA H 42 4.150 4.150 4.314 -0.164 25762 4532 1 7 . 1 1 42 42 ALA C C 42 179.063 179.063 178.293 0.770 25762 4533 1 7 . 1 1 42 42 ALA CA C 42 54.737 54.737 53.976 0.761 25762 4534 1 7 . 1 1 42 42 ALA CB C 42 19.258 19.258 19.043 0.215 25762 4535 1 7 . 1 1 42 42 ALA H H 42 8.844 8.844 8.373 0.471 25762 4536 1 7 . 1 1 43 43 GLU N N 43 116.721 116.721 116.605 0.116 25762 4537 1 7 . 1 1 43 43 GLU HA H 43 4.350 4.350 4.351 -0.001 25762 4538 1 7 . 1 1 43 43 GLU C C 43 175.825 175.825 175.863 -0.038 25762 4539 1 7 . 1 1 43 43 GLU CA C 43 54.964 54.964 55.839 -0.875 25762 4540 1 7 . 1 1 43 43 GLU CB C 43 29.372 29.372 28.906 0.466 25762 4541 1 7 . 1 1 43 43 GLU H H 43 9.070 9.070 8.286 0.784 25762 4542 1 7 . 1 1 44 44 CYS N N 44 120.031 120.031 115.407 4.624 25762 4543 1 7 . 1 1 44 44 CYS C C 44 174.887 174.887 174.498 0.389 25762 4544 1 7 . 1 1 44 44 CYS CA C 44 55.287 55.287 58.464 -3.177 25762 4545 1 7 . 1 1 44 44 CYS CB C 44 41.215 41.215 25.286 15.929 25762 4546 1 7 . 1 1 44 44 CYS H H 44 7.427 7.427 7.422 0.005 25762 4547 1 7 . 1 1 45 45 LYS N N 45 127.192 127.192 119.728 7.464 25762 4548 1 7 . 1 1 45 45 LYS HA H 45 4.220 4.220 4.190 0.030 25762 4549 1 7 . 1 1 45 45 LYS C C 45 176.464 176.464 176.270 0.194 25762 4550 1 7 . 1 1 45 45 LYS CA C 45 57.793 57.793 56.582 1.211 25762 4551 1 7 . 1 1 45 45 LYS CB C 45 32.251 32.251 33.239 -0.988 25762 4552 1 7 . 1 1 45 45 LYS H H 45 8.655 8.655 8.011 0.644 25762 4553 1 7 . 1 1 46 46 GLN N N 46 119.454 119.454 119.332 0.122 25762 4554 1 7 . 1 1 46 46 GLN HA H 46 4.690 4.690 4.569 0.121 25762 4555 1 7 . 1 1 46 46 GLN C C 46 175.524 175.524 175.770 -0.246 25762 4556 1 7 . 1 1 46 46 GLN CA C 46 55.759 55.759 55.369 0.390 25762 4557 1 7 . 1 1 46 46 GLN CB C 46 29.672 29.672 30.008 -0.336 25762 4558 1 7 . 1 1 46 46 GLN H H 46 7.831 7.831 8.347 -0.516 25762 4559 1 7 . 1 1 47 47 THR N N 47 116.122 116.122 121.322 -5.200 25762 4560 1 7 . 1 1 47 47 THR HA H 47 4.701 4.701 4.700 0.001 25762 4561 1 7 . 1 1 47 47 THR C C 47 173.458 173.458 172.841 0.617 25762 4562 1 7 . 1 1 47 47 THR CA C 47 61.693 61.693 61.954 -0.261 25762 4563 1 7 . 1 1 47 47 THR CB C 47 69.773 69.773 70.632 -0.859 25762 4564 1 7 . 1 1 47 47 THR H H 47 8.633 8.633 8.996 -0.363 25762 4565 1 7 . 1 1 48 48 MET N N 48 121.378 121.378 126.114 -4.736 25762 4566 1 7 . 1 1 48 48 MET HA H 48 5.610 5.610 5.378 0.232 25762 4567 1 7 . 1 1 48 48 MET C C 48 174.850 174.850 174.315 0.535 25762 4568 1 7 . 1 1 48 48 MET CA C 48 55.321 55.321 54.692 0.629 25762 4569 1 7 . 1 1 48 48 MET CB C 48 36.529 36.529 36.551 -0.022 25762 4570 1 7 . 1 1 48 48 MET H H 48 7.838 7.838 8.849 -1.011 25762 4571 1 7 . 1 1 49 49 LYS N N 49 123.748 123.748 123.998 -0.250 25762 4572 1 7 . 1 1 49 49 LYS HA H 49 4.560 4.560 4.858 -0.298 25762 4573 1 7 . 1 1 49 49 LYS C C 49 173.773 173.773 174.501 -0.728 25762 4574 1 7 . 1 1 49 49 LYS CA C 49 55.899 55.899 55.245 0.654 25762 4575 1 7 . 1 1 49 49 LYS CB C 49 36.032 36.032 37.005 -0.973 25762 4576 1 7 . 1 1 49 49 LYS H H 49 8.539 8.539 9.129 -0.590 25762 4577 1 7 . 1 1 50 50 THR N N 50 117.276 117.276 118.938 -1.662 25762 4578 1 7 . 1 1 50 50 THR HA H 50 5.330 5.330 5.219 0.111 25762 4579 1 7 . 1 1 50 50 THR C C 50 174.047 174.047 174.081 -0.034 25762 4580 1 7 . 1 1 50 50 THR CA C 50 61.169 61.169 60.837 0.332 25762 4581 1 7 . 1 1 50 50 THR CB C 50 71.019 71.019 70.464 0.555 25762 4582 1 7 . 1 1 50 50 THR H H 50 8.416 8.416 8.306 0.110 25762 4583 1 7 . 1 1 51 51 GLN N N 51 123.996 123.996 124.419 -0.423 25762 4584 1 7 . 1 1 51 51 GLN HA H 51 4.680 4.680 4.727 -0.047 25762 4585 1 7 . 1 1 51 51 GLN C C 51 174.453 174.453 174.322 0.131 25762 4586 1 7 . 1 1 51 51 GLN CA C 51 54.079 54.079 54.614 -0.535 25762 4587 1 7 . 1 1 51 51 GLN CB C 51 34.352 34.352 32.617 1.735 25762 4588 1 7 . 1 1 51 51 GLN H H 51 9.034 9.034 9.139 -0.105 25762 4589 1 7 . 1 1 52 52 ARG N N 52 124.759 124.759 121.665 3.094 25762 4590 1 7 . 1 1 52 52 ARG HA H 52 4.600 4.600 4.668 -0.068 25762 4591 1 7 . 1 1 52 52 ARG C C 52 174.978 174.978 175.502 -0.524 25762 4592 1 7 . 1 1 52 52 ARG CA C 52 56.600 56.600 56.179 0.421 25762 4593 1 7 . 1 1 52 52 ARG CB C 52 30.812 30.812 30.955 -0.143 25762 4594 1 7 . 1 1 52 52 ARG H H 52 8.520 8.520 8.417 0.103 25762 4595 1 7 . 1 1 53 53 CYS N N 53 120.158 120.158 123.050 -2.892 25762 4596 1 7 . 1 1 53 53 CYS HA H 53 4.130 4.130 4.630 -0.500 25762 4597 1 7 . 1 1 53 53 CYS C C 53 170.755 170.755 173.737 -2.982 25762 4598 1 7 . 1 1 53 53 CYS CA C 53 54.574 54.574 57.330 -2.756 25762 4599 1 7 . 1 1 53 53 CYS CB C 53 47.178 47.178 29.649 17.529 25762 4600 1 7 . 1 1 53 53 CYS H H 53 8.167 8.167 8.362 -0.195 25762 4601 1 7 . 1 1 54 54 LYS N N 54 120.283 120.283 123.595 -3.312 25762 4602 1 7 . 1 1 54 54 LYS HA H 54 4.840 4.840 4.581 0.259 25762 4603 1 7 . 1 1 54 54 LYS C C 54 175.166 175.166 174.899 0.267 25762 4604 1 7 . 1 1 54 54 LYS CA C 54 55.611 55.611 55.069 0.541 25762 4605 1 7 . 1 1 54 54 LYS CB C 54 36.066 36.066 34.402 1.664 25762 4606 1 7 . 1 1 54 54 LYS H H 54 8.489 8.489 8.464 0.025 25762 4607 1 7 . 1 1 55 55 ILE N N 55 126.794 126.794 125.756 1.038 25762 4608 1 7 . 1 1 55 55 ILE HA H 55 4.600 4.600 4.442 0.158 25762 4609 1 7 . 1 1 55 55 ILE CA C 55 57.299 57.299 58.013 -0.714 25762 4610 1 7 . 1 1 55 55 ILE CB C 55 41.759 41.759 39.082 2.677 25762 4611 1 7 . 1 1 55 55 ILE H H 55 8.673 8.673 8.512 0.161 25762 4612 1 7 . 1 1 56 56 PRO HA H 56 4.360 4.360 4.521 -0.161 25762 4613 1 7 . 1 1 56 56 PRO C C 56 176.748 176.748 175.819 0.929 25762 4614 1 7 . 1 1 56 56 PRO CA C 56 63.790 63.790 62.279 1.511 25762 4615 1 7 . 1 1 56 56 PRO CB C 56 32.200 32.200 29.980 2.220 25762 4616 1 7 . 1 1 57 57 CYS N N 57 121.411 121.411 122.436 -1.025 25762 4617 1 7 . 1 1 57 57 CYS HA H 57 4.160 4.160 4.488 -0.328 25762 4618 1 7 . 1 1 57 57 CYS C C 57 174.867 174.867 174.261 0.606 25762 4619 1 7 . 1 1 57 57 CYS CA C 57 54.490 54.490 57.417 -2.927 25762 4620 1 7 . 1 1 57 57 CYS CB C 57 43.090 43.090 25.435 17.655 25762 4621 1 7 . 1 1 57 57 CYS H H 57 8.782 8.782 8.037 0.745 25762 4622 1 7 . 1 1 58 58 ASN N N 58 120.918 120.918 120.614 0.304 25762 4623 1 7 . 1 1 58 58 ASN HA H 58 4.620 4.620 4.646 -0.026 25762 4624 1 7 . 1 1 58 58 ASN C C 58 175.129 175.129 175.274 -0.145 25762 4625 1 7 . 1 1 58 58 ASN CA C 58 53.832 53.832 53.300 0.532 25762 4626 1 7 . 1 1 58 58 ASN CB C 58 38.634 38.634 39.542 -0.908 25762 4627 1 7 . 1 1 58 58 ASN H H 58 8.551 8.551 7.645 0.906 25762 4628 1 7 . 1 1 59 59 TRP N N 59 121.791 121.791 125.210 -3.419 25762 4629 1 7 . 1 1 59 59 TRP HA H 59 4.604 4.604 4.607 -0.003 25762 4630 1 7 . 1 1 59 59 TRP C C 59 176.374 176.374 176.334 0.040 25762 4631 1 7 . 1 1 59 59 TRP CA C 59 57.605 57.605 56.825 0.780 25762 4632 1 7 . 1 1 59 59 TRP CB C 59 29.487 29.487 29.328 0.158 25762 4633 1 7 . 1 1 59 59 TRP H H 59 8.010 8.010 8.415 -0.405 25762 4634 1 7 . 1 1 60 60 LYS N N 60 122.289 122.289 125.711 -3.422 25762 4635 1 7 . 1 1 60 60 LYS HA H 60 4.070 4.070 4.491 -0.421 25762 4636 1 7 . 1 1 60 60 LYS C C 60 176.685 176.685 177.071 -0.386 25762 4637 1 7 . 1 1 60 60 LYS CA C 60 56.926 56.926 55.778 1.148 25762 4638 1 7 . 1 1 60 60 LYS CB C 60 32.877 32.877 32.788 0.089 25762 4639 1 7 . 1 1 60 60 LYS H H 60 7.751 7.751 8.471 -0.720 25762 4640 1 7 . 1 1 61 61 LYS N N 61 121.691 121.691 124.386 -2.695 25762 4641 1 7 . 1 1 61 61 LYS HA H 61 4.160 4.160 4.318 -0.158 25762 4642 1 7 . 1 1 61 61 LYS C C 61 176.731 176.731 175.314 1.417 25762 4643 1 7 . 1 1 61 61 LYS CA C 61 56.804 56.804 55.968 0.836 25762 4644 1 7 . 1 1 61 61 LYS CB C 61 32.910 32.910 33.282 -0.372 25762 4645 1 7 . 1 1 61 61 LYS H H 61 7.963 7.963 8.545 -0.582 25762 4646 1 7 . 1 1 62 62 GLN N N 62 120.611 120.611 118.966 1.645 25762 4647 1 7 . 1 1 62 62 GLN HA H 62 4.240 4.240 4.261 -0.021 25762 4648 1 7 . 1 1 62 62 GLN C C 62 175.696 175.696 174.438 1.258 25762 4649 1 7 . 1 1 62 62 GLN CA C 62 56.416 56.416 55.221 1.196 25762 4650 1 7 . 1 1 62 62 GLN CB C 62 29.722 29.722 30.995 -1.273 25762 4651 1 7 . 1 1 62 62 GLN H H 62 8.177 8.177 8.178 -0.001 25762 4652 1 7 . 1 1 63 63 PHE N N 63 119.964 119.964 123.395 -3.431 25762 4653 1 7 . 1 1 63 63 PHE HA H 63 4.750 4.750 4.379 0.371 25762 4654 1 7 . 1 1 63 63 PHE C C 63 175.958 175.958 176.503 -0.545 25762 4655 1 7 . 1 1 63 63 PHE CA C 63 57.339 57.339 58.075 -0.736 25762 4656 1 7 . 1 1 63 63 PHE CB C 63 39.813 39.813 38.837 0.976 25762 4657 1 7 . 1 1 63 63 PHE H H 63 7.990 7.990 8.421 -0.430 25762 4658 1 7 . 1 1 64 64 GLY N N 64 110.674 110.674 113.001 -2.327 25762 4659 1 7 . 1 1 64 64 GLY C C 64 174.297 174.297 173.178 1.119 25762 4660 1 7 . 1 1 64 64 GLY CA C 64 45.306 45.306 45.509 -0.203 25762 4661 1 7 . 1 1 64 64 GLY H H 64 8.427 8.427 8.618 -0.191 25762 4662 1 7 . 1 1 65 65 ALA N N 65 124.213 124.213 125.079 -0.866 25762 4663 1 7 . 1 1 65 65 ALA HA H 65 4.260 4.260 4.519 -0.259 25762 4664 1 7 . 1 1 65 65 ALA C C 65 178.028 178.028 176.369 1.659 25762 4665 1 7 . 1 1 65 65 ALA CA C 65 53.400 53.400 52.206 1.194 25762 4666 1 7 . 1 1 65 65 ALA CB C 65 19.372 19.372 19.582 -0.211 25762 4667 1 7 . 1 1 65 65 ALA H H 65 8.316 8.316 8.086 0.230 25762 4668 1 7 . 1 1 66 66 GLU N N 66 117.489 117.489 119.143 -1.654 25762 4669 1 7 . 1 1 66 66 GLU HA H 66 4.240 4.240 4.516 -0.276 25762 4670 1 7 . 1 1 66 66 GLU C C 66 175.127 175.127 176.131 -1.004 25762 4671 1 7 . 1 1 66 66 GLU CA C 66 57.205 57.205 56.197 1.008 25762 4672 1 7 . 1 1 66 66 GLU CB C 66 29.924 29.924 30.101 -0.177 25762 4673 1 7 . 1 1 66 66 GLU H H 66 8.697 8.697 8.453 0.244 25762 4674 1 7 . 1 1 67 67 CYS N N 67 119.305 119.305 118.917 0.388 25762 4675 1 7 . 1 1 67 67 CYS HA H 67 4.310 4.310 4.553 -0.243 25762 4676 1 7 . 1 1 67 67 CYS C C 67 172.436 172.436 175.087 -2.651 25762 4677 1 7 . 1 1 67 67 CYS CA C 67 53.300 53.300 59.229 -5.929 25762 4678 1 7 . 1 1 67 67 CYS CB C 67 41.122 41.122 28.191 12.931 25762 4679 1 7 . 1 1 67 67 CYS H H 67 7.758 7.758 7.959 -0.201 25762 4680 1 7 . 1 1 68 68 LYS N N 68 123.248 123.248 123.112 0.136 25762 4681 1 7 . 1 1 68 68 LYS HA H 68 4.680 4.680 4.812 -0.132 25762 4682 1 7 . 1 1 68 68 LYS C C 68 174.804 174.804 175.141 -0.337 25762 4683 1 7 . 1 1 68 68 LYS CA C 68 54.009 54.009 55.470 -1.461 25762 4684 1 7 . 1 1 68 68 LYS CB C 68 33.651 33.651 34.049 -0.398 25762 4685 1 7 . 1 1 68 68 LYS H H 68 8.174 8.174 8.901 -0.727 25762 4686 1 7 . 1 1 69 69 TYR N N 69 122.635 122.635 123.385 -0.750 25762 4687 1 7 . 1 1 69 69 TYR HA H 69 4.410 4.410 4.967 -0.557 25762 4688 1 7 . 1 1 69 69 TYR C C 69 174.602 174.602 175.462 -0.860 25762 4689 1 7 . 1 1 69 69 TYR CA C 69 58.204 58.204 57.688 0.516 25762 4690 1 7 . 1 1 69 69 TYR CB C 69 42.100 42.100 41.604 0.496 25762 4691 1 7 . 1 1 69 69 TYR H H 69 8.769 8.769 8.904 -0.135 25762 4692 1 7 . 1 1 70 70 GLN N N 70 120.984 120.984 123.974 -2.990 25762 4693 1 7 . 1 1 70 70 GLN HA H 70 4.590 4.590 4.681 -0.091 25762 4694 1 7 . 1 1 70 70 GLN C C 70 175.634 175.634 174.844 0.790 25762 4695 1 7 . 1 1 70 70 GLN CA C 70 54.108 54.108 53.999 0.109 25762 4696 1 7 . 1 1 70 70 GLN CB C 70 29.900 29.900 31.318 -1.418 25762 4697 1 7 . 1 1 70 70 GLN H H 70 8.573 8.573 8.987 -0.414 25762 4698 1 7 . 1 1 71 71 PHE N N 71 127.389 127.389 124.553 2.836 25762 4699 1 7 . 1 1 71 71 PHE HA H 71 4.970 4.970 5.023 -0.053 25762 4700 1 7 . 1 1 71 71 PHE C C 71 177.149 177.149 175.121 2.028 25762 4701 1 7 . 1 1 71 71 PHE CA C 71 58.976 58.976 56.100 2.876 25762 4702 1 7 . 1 1 71 71 PHE CB C 71 40.837 40.837 38.920 1.917 25762 4703 1 7 . 1 1 71 71 PHE H H 71 9.255 9.255 8.481 0.774 25762 4704 1 7 . 1 1 72 72 GLN N N 72 121.514 121.514 123.534 -2.020 25762 4705 1 7 . 1 1 72 72 GLN HA H 72 4.440 4.440 4.585 -0.145 25762 4706 1 7 . 1 1 72 72 GLN C C 72 176.721 176.721 175.173 1.548 25762 4707 1 7 . 1 1 72 72 GLN CA C 72 54.707 54.707 55.013 -0.306 25762 4708 1 7 . 1 1 72 72 GLN CB C 72 29.983 29.983 31.651 -1.668 25762 4709 1 7 . 1 1 72 72 GLN H H 72 8.273 8.273 8.777 -0.504 25762 4710 1 7 . 1 1 73 73 ALA N N 73 122.414 122.414 125.382 -2.968 25762 4711 1 7 . 1 1 73 73 ALA HA H 73 4.220 4.220 4.168 0.052 25762 4712 1 7 . 1 1 73 73 ALA C C 73 178.776 178.776 177.301 1.475 25762 4713 1 7 . 1 1 73 73 ALA CA C 73 52.751 52.751 52.184 0.567 25762 4714 1 7 . 1 1 73 73 ALA CB C 73 19.559 19.559 18.454 1.105 25762 4715 1 7 . 1 1 73 73 ALA H H 73 8.293 8.293 8.794 -0.501 25762 4716 1 7 . 1 1 74 74 TRP N N 74 120.412 120.412 121.865 -1.453 25762 4717 1 7 . 1 1 74 74 TRP HA H 74 4.260 4.260 4.750 -0.490 25762 4718 1 7 . 1 1 74 74 TRP C C 74 178.290 178.290 175.783 2.507 25762 4719 1 7 . 1 1 74 74 TRP CA C 74 58.982 58.982 56.059 2.923 25762 4720 1 7 . 1 1 74 74 TRP CB C 74 30.633 30.633 29.753 0.880 25762 4721 1 7 . 1 1 74 74 TRP H H 74 8.136 8.136 8.400 -0.264 25762 4722 1 7 . 1 1 75 75 GLY N N 75 109.881 109.881 109.912 -0.031 25762 4723 1 7 . 1 1 75 75 GLY C C 75 177.700 177.700 173.115 4.585 25762 4724 1 7 . 1 1 75 75 GLY CA C 75 44.287 44.287 44.569 -0.282 25762 4725 1 7 . 1 1 75 75 GLY H H 75 8.763 8.763 7.759 1.004 25762 4726 1 7 . 1 1 76 76 GLU N N 76 116.900 116.900 125.939 -9.039 25762 4727 1 7 . 1 1 76 76 GLU HA H 76 4.230 4.230 4.456 -0.226 25762 4728 1 7 . 1 1 76 76 GLU C C 76 177.770 177.770 175.558 2.212 25762 4729 1 7 . 1 1 76 76 GLU CA C 76 55.700 55.700 55.606 0.094 25762 4730 1 7 . 1 1 76 76 GLU CB C 76 30.600 30.600 31.127 -0.527 25762 4731 1 7 . 1 1 76 76 GLU H H 76 8.400 8.400 8.186 0.214 25762 4732 1 7 . 1 1 77 77 CYS N N 77 121.846 121.846 123.366 -1.520 25762 4733 1 7 . 1 1 77 77 CYS HA H 77 4.150 4.150 4.230 -0.080 25762 4734 1 7 . 1 1 77 77 CYS C C 77 174.117 174.117 173.813 0.304 25762 4735 1 7 . 1 1 77 77 CYS CA C 77 56.706 56.706 58.876 -2.170 25762 4736 1 7 . 1 1 77 77 CYS CB C 77 41.056 41.056 25.761 15.296 25762 4737 1 7 . 1 1 77 77 CYS H H 77 8.980 8.980 8.967 0.013 25762 4738 1 7 . 1 1 78 78 ASP N N 78 131.728 131.728 123.394 8.334 25762 4739 1 7 . 1 1 78 78 ASP HA H 78 3.370 3.370 4.733 -1.363 25762 4740 1 7 . 1 1 78 78 ASP C C 78 176.890 176.890 177.102 -0.212 25762 4741 1 7 . 1 1 78 78 ASP CA C 78 53.492 53.492 53.760 -0.268 25762 4742 1 7 . 1 1 78 78 ASP CB C 78 41.819 41.819 42.205 -0.385 25762 4743 1 7 . 1 1 78 78 ASP H H 78 8.279 8.279 8.718 -0.439 25762 4744 1 7 . 1 1 79 79 LEU N N 79 127.191 127.191 125.895 1.296 25762 4745 1 7 . 1 1 79 79 LEU HA H 79 3.990 3.990 3.995 -0.005 25762 4746 1 7 . 1 1 79 79 LEU C C 79 178.627 178.627 177.959 0.668 25762 4747 1 7 . 1 1 79 79 LEU CA C 79 57.179 57.179 57.356 -0.177 25762 4748 1 7 . 1 1 79 79 LEU CB C 79 41.642 41.642 41.860 -0.218 25762 4749 1 7 . 1 1 79 79 LEU H H 79 8.763 8.763 8.621 0.142 25762 4750 1 7 . 1 1 80 80 ASN N N 80 116.238 116.238 116.286 -0.048 25762 4751 1 7 . 1 1 80 80 ASN HA H 80 4.590 4.590 4.624 -0.034 25762 4752 1 7 . 1 1 80 80 ASN C C 80 176.905 176.905 176.451 0.454 25762 4753 1 7 . 1 1 80 80 ASN CA C 80 55.800 55.800 55.024 0.776 25762 4754 1 7 . 1 1 80 80 ASN CB C 80 39.151 39.151 38.921 0.230 25762 4755 1 7 . 1 1 80 80 ASN H H 80 8.746 8.746 8.318 0.428 25762 4756 1 7 . 1 1 81 81 THR N N 81 108.459 108.459 110.560 -2.101 25762 4757 1 7 . 1 1 81 81 THR HA H 81 4.240 4.240 4.467 -0.227 25762 4758 1 7 . 1 1 81 81 THR C C 81 174.727 174.727 174.894 -0.167 25762 4759 1 7 . 1 1 81 81 THR CA C 81 61.540 61.540 60.814 0.726 25762 4760 1 7 . 1 1 81 81 THR CB C 81 70.900 70.900 69.532 1.368 25762 4761 1 7 . 1 1 81 81 THR H H 81 7.666 7.666 7.694 -0.028 25762 4762 1 7 . 1 1 82 82 ALA N N 82 122.870 122.870 122.291 0.579 25762 4763 1 7 . 1 1 82 82 ALA HA H 82 3.820 3.820 4.025 -0.205 25762 4764 1 7 . 1 1 82 82 ALA C C 82 176.506 176.506 175.475 1.031 25762 4765 1 7 . 1 1 82 82 ALA CA C 82 53.603 53.603 53.462 0.141 25762 4766 1 7 . 1 1 82 82 ALA CB C 82 17.013 17.013 17.435 -0.422 25762 4767 1 7 . 1 1 82 82 ALA H H 82 8.687 8.687 8.348 0.339 25762 4768 1 7 . 1 1 83 83 LEU N N 83 117.374 117.374 115.457 1.917 25762 4769 1 7 . 1 1 83 83 LEU HA H 83 5.031 5.031 5.061 -0.030 25762 4770 1 7 . 1 1 83 83 LEU C C 83 177.616 177.616 175.653 1.963 25762 4771 1 7 . 1 1 83 83 LEU CA C 83 54.098 54.098 53.138 0.960 25762 4772 1 7 . 1 1 83 83 LEU CB C 83 46.622 46.622 46.328 0.294 25762 4773 1 7 . 1 1 83 83 LEU H H 83 7.353 7.353 7.319 0.035 25762 4774 1 7 . 1 1 84 84 LYS N N 84 122.053 122.053 121.500 0.553 25762 4775 1 7 . 1 1 84 84 LYS HA H 84 4.940 4.940 4.715 0.225 25762 4776 1 7 . 1 1 84 84 LYS C C 84 175.449 175.449 174.823 0.626 25762 4777 1 7 . 1 1 84 84 LYS CA C 84 54.287 54.287 54.517 -0.230 25762 4778 1 7 . 1 1 84 84 LYS CB C 84 36.060 36.060 35.891 0.169 25762 4779 1 7 . 1 1 84 84 LYS H H 84 9.043 9.043 8.995 0.048 25762 4780 1 7 . 1 1 85 85 THR N N 85 114.896 114.896 118.256 -3.360 25762 4781 1 7 . 1 1 85 85 THR HA H 85 5.820 5.820 5.409 0.411 25762 4782 1 7 . 1 1 85 85 THR C C 85 174.123 174.123 173.593 0.530 25762 4783 1 7 . 1 1 85 85 THR CA C 85 61.226 61.226 60.728 0.498 25762 4784 1 7 . 1 1 85 85 THR CB C 85 72.857 72.857 71.446 1.411 25762 4785 1 7 . 1 1 85 85 THR H H 85 9.011 9.011 8.430 0.581 25762 4786 1 7 . 1 1 86 86 ARG N N 86 123.804 123.804 123.805 -0.001 25762 4787 1 7 . 1 1 86 86 ARG C C 86 173.792 173.792 174.199 -0.407 25762 4788 1 7 . 1 1 86 86 ARG CA C 86 56.720 56.720 55.239 1.481 25762 4789 1 7 . 1 1 86 86 ARG CB C 86 33.185 33.185 34.370 -1.185 25762 4790 1 7 . 1 1 86 86 ARG H H 86 9.056 9.056 8.990 0.066 25762 4791 1 7 . 1 1 87 87 THR N N 87 117.796 117.796 120.884 -3.088 25762 4792 1 7 . 1 1 87 87 THR HA H 87 5.270 5.270 5.429 -0.159 25762 4793 1 7 . 1 1 87 87 THR C C 87 173.939 173.939 173.352 0.587 25762 4794 1 7 . 1 1 87 87 THR CA C 87 61.003 61.003 61.038 -0.035 25762 4795 1 7 . 1 1 87 87 THR CB C 87 71.091 71.091 71.751 -0.660 25762 4796 1 7 . 1 1 87 87 THR H H 87 8.387 8.387 8.034 0.353 25762 4797 1 7 . 1 1 88 88 GLY N N 88 112.501 112.501 110.552 1.949 25762 4798 1 7 . 1 1 88 88 GLY C C 88 171.645 171.645 172.089 -0.444 25762 4799 1 7 . 1 1 88 88 GLY CA C 88 44.657 44.657 44.422 0.235 25762 4800 1 7 . 1 1 88 88 GLY H H 88 9.074 9.074 8.664 0.410 25762 4801 1 7 . 1 1 89 89 SER N N 89 115.802 115.802 117.330 -1.528 25762 4802 1 7 . 1 1 89 89 SER HA H 89 5.260 5.260 5.077 0.183 25762 4803 1 7 . 1 1 89 89 SER C C 89 174.767 174.767 173.442 1.325 25762 4804 1 7 . 1 1 89 89 SER CA C 89 56.512 56.512 56.922 -0.410 25762 4805 1 7 . 1 1 89 89 SER CB C 89 65.434 65.434 65.937 -0.503 25762 4806 1 7 . 1 1 89 89 SER H H 89 8.217 8.217 8.891 -0.674 25762 4807 1 7 . 1 1 90 90 LEU N N 90 128.595 128.595 127.891 0.704 25762 4808 1 7 . 1 1 90 90 LEU HA H 90 3.420 3.420 3.720 -0.300 25762 4809 1 7 . 1 1 90 90 LEU C C 90 176.399 176.399 176.595 -0.196 25762 4810 1 7 . 1 1 90 90 LEU CA C 90 56.558 56.558 54.845 1.713 25762 4811 1 7 . 1 1 90 90 LEU CB C 90 43.006 43.006 41.242 1.764 25762 4812 1 7 . 1 1 90 90 LEU H H 90 8.555 8.555 8.020 0.535 25762 4813 1 7 . 1 1 91 91 LYS N N 91 128.646 128.646 127.494 1.152 25762 4814 1 7 . 1 1 91 91 LYS HA H 91 4.330 4.330 4.208 0.122 25762 4815 1 7 . 1 1 91 91 LYS C C 91 176.318 176.318 177.160 -0.842 25762 4816 1 7 . 1 1 91 91 LYS CA C 91 56.103 56.103 58.203 -2.100 25762 4817 1 7 . 1 1 91 91 LYS CB C 91 33.565 33.565 33.283 0.281 25762 4818 1 7 . 1 1 91 91 LYS H H 91 9.065 9.065 8.508 0.557 25762 4819 1 7 . 1 1 92 92 ARG N N 92 118.834 118.834 118.940 -0.106 25762 4820 1 7 . 1 1 92 92 ARG HA H 92 4.220 4.220 4.578 -0.358 25762 4821 1 7 . 1 1 92 92 ARG C C 92 173.259 173.259 173.865 -0.606 25762 4822 1 7 . 1 1 92 92 ARG CA C 92 56.259 56.259 54.654 1.605 25762 4823 1 7 . 1 1 92 92 ARG CB C 92 32.623 32.623 33.429 -0.806 25762 4824 1 7 . 1 1 92 92 ARG H H 92 7.641 7.641 7.628 0.013 25762 4825 1 7 . 1 1 93 93 ALA N N 93 127.574 127.574 125.560 2.014 25762 4826 1 7 . 1 1 93 93 ALA HA H 93 4.870 4.870 4.507 0.363 25762 4827 1 7 . 1 1 93 93 ALA C C 93 177.037 177.037 175.726 1.311 25762 4828 1 7 . 1 1 93 93 ALA CA C 93 50.949 50.949 51.383 -0.434 25762 4829 1 7 . 1 1 93 93 ALA CB C 93 21.664 21.664 20.767 0.897 25762 4830 1 7 . 1 1 93 93 ALA H H 93 8.451 8.451 8.436 0.015 25762 4831 1 7 . 1 1 94 94 LEU N N 94 123.296 123.296 122.893 0.403 25762 4832 1 7 . 1 1 94 94 LEU HA H 94 4.250 4.250 4.650 -0.400 25762 4833 1 7 . 1 1 94 94 LEU C C 94 177.256 177.256 178.411 -1.155 25762 4834 1 7 . 1 1 94 94 LEU CA C 94 55.137 55.137 53.516 1.621 25762 4835 1 7 . 1 1 94 94 LEU CB C 94 42.697 42.697 43.149 -0.452 25762 4836 1 7 . 1 1 94 94 LEU H H 94 8.654 8.654 8.444 0.210 25762 4837 1 7 . 1 1 95 95 HIS N N 95 116.413 116.413 119.058 -2.645 25762 4838 1 7 . 1 1 95 95 HIS HA H 95 4.430 4.430 4.414 0.016 25762 4839 1 7 . 1 1 95 95 HIS C C 95 174.801 174.801 175.054 -0.253 25762 4840 1 7 . 1 1 95 95 HIS CA C 95 56.400 56.400 58.156 -1.756 25762 4841 1 7 . 1 1 95 95 HIS CB C 95 28.218 28.218 30.372 -2.154 25762 4842 1 7 . 1 1 95 95 HIS H H 95 8.642 8.642 8.629 0.013 25762 4843 1 7 . 1 1 96 96 ASN N N 96 115.824 115.824 115.388 0.436 25762 4844 1 7 . 1 1 96 96 ASN HA H 96 4.450 4.450 4.603 -0.153 25762 4845 1 7 . 1 1 96 96 ASN C C 96 175.026 175.026 173.760 1.266 25762 4846 1 7 . 1 1 96 96 ASN CA C 96 53.692 53.692 52.949 0.743 25762 4847 1 7 . 1 1 96 96 ASN CB C 96 38.056 38.056 38.733 -0.677 25762 4848 1 7 . 1 1 96 96 ASN H H 96 8.461 8.461 8.080 0.381 25762 4849 1 7 . 1 1 97 97 ALA N N 97 122.558 122.558 122.694 -0.136 25762 4850 1 7 . 1 1 97 97 ALA HA H 97 4.130 4.130 4.343 -0.213 25762 4851 1 7 . 1 1 97 97 ALA C C 97 177.337 177.337 175.518 1.819 25762 4852 1 7 . 1 1 97 97 ALA CA C 97 53.430 53.430 52.712 0.718 25762 4853 1 7 . 1 1 97 97 ALA CB C 97 20.204 20.204 20.847 -0.643 25762 4854 1 7 . 1 1 97 97 ALA H H 97 7.791 7.791 7.206 0.585 25762 4855 1 7 . 1 1 98 98 GLU N N 98 120.504 120.504 122.918 -2.414 25762 4856 1 7 . 1 1 98 98 GLU HA H 98 4.320 4.320 4.531 -0.211 25762 4857 1 7 . 1 1 98 98 GLU C C 98 176.154 176.154 175.496 0.658 25762 4858 1 7 . 1 1 98 98 GLU CA C 98 56.630 56.630 55.688 0.942 25762 4859 1 7 . 1 1 98 98 GLU CB C 98 29.496 29.496 29.318 0.178 25762 4860 1 7 . 1 1 98 98 GLU H H 98 8.478 8.478 8.211 0.267 25762 4861 1 7 . 1 1 99 99 CYS N N 99 122.399 122.399 122.453 -0.054 25762 4862 1 7 . 1 1 99 99 CYS HA H 99 4.820 4.820 4.705 0.115 25762 4863 1 7 . 1 1 99 99 CYS C C 99 174.711 174.711 174.575 0.136 25762 4864 1 7 . 1 1 99 99 CYS CA C 99 53.985 53.985 58.120 -4.135 25762 4865 1 7 . 1 1 99 99 CYS CB C 99 44.177 44.177 29.833 14.344 25762 4866 1 7 . 1 1 99 99 CYS H H 99 7.978 7.978 8.621 -0.643 25762 4867 1 7 . 1 1 100 100 GLN N N 100 123.539 123.539 123.942 -0.403 25762 4868 1 7 . 1 1 100 100 GLN HA H 100 4.300 4.300 4.438 -0.138 25762 4869 1 7 . 1 1 100 100 GLN C C 100 178.317 178.317 175.609 2.708 25762 4870 1 7 . 1 1 100 100 GLN CA C 100 56.157 56.157 55.137 1.020 25762 4871 1 7 . 1 1 100 100 GLN CB C 100 29.303 29.303 29.453 -0.150 25762 4872 1 7 . 1 1 100 100 GLN H H 100 8.864 8.864 8.712 0.152 25762 4873 1 7 . 1 1 101 101 LYS N N 101 125.153 125.153 119.949 5.204 25762 4874 1 7 . 1 1 101 101 LYS HA H 101 4.020 4.020 3.949 0.071 25762 4875 1 7 . 1 1 101 101 LYS C C 101 176.669 176.669 176.406 0.263 25762 4876 1 7 . 1 1 101 101 LYS CA C 101 59.876 59.876 58.001 1.875 25762 4877 1 7 . 1 1 101 101 LYS CB C 101 32.760 32.760 32.714 0.046 25762 4878 1 7 . 1 1 101 101 LYS H H 101 9.063 9.063 8.426 0.637 25762 4879 1 7 . 1 1 102 102 THR N N 102 111.208 111.208 109.056 2.152 25762 4880 1 7 . 1 1 102 102 THR HA H 102 5.260 5.260 5.116 0.144 25762 4881 1 7 . 1 1 102 102 THR C C 102 173.097 173.097 173.315 -0.218 25762 4882 1 7 . 1 1 102 102 THR CA C 102 59.922 59.922 59.890 0.032 25762 4883 1 7 . 1 1 102 102 THR CB C 102 71.788 71.788 70.909 0.879 25762 4884 1 7 . 1 1 102 102 THR H H 102 7.706 7.706 7.312 0.394 25762 4885 1 7 . 1 1 103 103 VAL N N 103 117.395 117.395 119.414 -2.019 25762 4886 1 7 . 1 1 103 103 VAL HA H 103 4.510 4.510 4.583 -0.073 25762 4887 1 7 . 1 1 103 103 VAL C C 103 174.132 174.132 173.768 0.364 25762 4888 1 7 . 1 1 103 103 VAL CA C 103 59.538 59.538 59.679 -0.141 25762 4889 1 7 . 1 1 103 103 VAL CB C 103 35.523 35.523 35.245 0.278 25762 4890 1 7 . 1 1 103 103 VAL H H 103 8.192 8.192 9.125 -0.933 25762 4891 1 7 . 1 1 104 104 THR N N 104 117.862 117.862 118.651 -0.789 25762 4892 1 7 . 1 1 104 104 THR HA H 104 5.098 5.098 4.894 0.204 25762 4893 1 7 . 1 1 104 104 THR C C 104 173.646 173.646 173.200 0.446 25762 4894 1 7 . 1 1 104 104 THR CA C 104 61.458 61.458 60.893 0.565 25762 4895 1 7 . 1 1 104 104 THR CB C 104 71.177 71.177 70.061 1.117 25762 4896 1 7 . 1 1 104 104 THR H H 104 8.332 8.332 8.209 0.123 25762 4897 1 7 . 1 1 105 105 ILE N N 105 124.431 124.431 128.018 -3.587 25762 4898 1 7 . 1 1 105 105 ILE HA H 105 4.670 4.670 4.626 0.044 25762 4899 1 7 . 1 1 105 105 ILE C C 105 174.296 174.296 173.564 0.732 25762 4900 1 7 . 1 1 105 105 ILE CA C 105 59.695 59.695 60.445 -0.750 25762 4901 1 7 . 1 1 105 105 ILE CB C 105 41.116 41.116 41.336 -0.220 25762 4902 1 7 . 1 1 105 105 ILE H H 105 8.868 8.868 8.582 0.286 25762 4903 1 7 . 1 1 106 106 SER N N 106 118.430 118.430 124.457 -6.027 25762 4904 1 7 . 1 1 106 106 SER HA H 106 3.760 3.760 5.551 -1.791 25762 4905 1 7 . 1 1 106 106 SER C C 106 173.441 173.441 173.289 0.152 25762 4906 1 7 . 1 1 106 106 SER CA C 106 56.877 56.877 57.051 -0.174 25762 4907 1 7 . 1 1 106 106 SER CB C 106 67.115 67.115 65.511 1.604 25762 4908 1 7 . 1 1 106 106 SER H H 106 8.559 8.559 8.465 0.094 25762 4909 1 7 . 1 1 107 107 LYS N N 107 121.976 121.976 122.428 -0.452 25762 4910 1 7 . 1 1 107 107 LYS CA C 107 53.625 53.625 53.184 0.441 25762 4911 1 7 . 1 1 107 107 LYS CB C 107 35.515 35.515 35.146 0.369 25762 4912 1 7 . 1 1 107 107 LYS H H 107 9.060 9.060 8.971 0.089 25762 4913 1 7 . 1 1 108 108 PRO HA H 108 4.940 4.940 4.618 0.322 25762 4914 1 7 . 1 1 108 108 PRO C C 108 176.741 176.741 175.878 0.863 25762 4915 1 7 . 1 1 108 108 PRO CA C 108 62.870 62.870 62.589 0.281 25762 4916 1 7 . 1 1 108 108 PRO CB C 108 32.590 32.590 31.093 1.497 25762 4917 1 7 . 1 1 109 109 CYS N N 109 118.313 118.313 123.758 -5.445 25762 4918 1 7 . 1 1 109 109 CYS HA H 109 4.501 4.501 4.598 -0.097 25762 4919 1 7 . 1 1 109 109 CYS C C 109 173.369 173.369 175.125 -1.756 25762 4920 1 7 . 1 1 109 109 CYS CA C 109 55.950 55.950 58.642 -2.692 25762 4921 1 7 . 1 1 109 109 CYS CB C 109 44.620 44.620 28.863 15.757 25762 4922 1 7 . 1 1 109 109 CYS H H 109 8.237 8.237 8.258 -0.021 25762 4923 1 7 . 1 1 110 110 GLY N N 110 108.677 108.677 109.244 -0.567 25762 4924 1 7 . 1 1 110 110 GLY C C 110 173.455 173.455 173.754 -0.299 25762 4925 1 7 . 1 1 110 110 GLY CA C 110 45.276 45.276 44.752 0.524 25762 4926 1 7 . 1 1 110 110 GLY H H 110 8.220 8.220 8.461 -0.241 25762 4927 1 7 . 1 1 111 111 LYS N N 111 121.361 121.361 122.536 -1.175 25762 4928 1 7 . 1 1 111 111 LYS HA H 111 4.270 4.270 4.397 -0.127 25762 4929 1 7 . 1 1 111 111 LYS C C 111 176.597 176.597 176.889 -0.292 25762 4930 1 7 . 1 1 111 111 LYS CA C 111 56.420 56.420 55.859 0.561 25762 4931 1 7 . 1 1 111 111 LYS CB C 111 33.470 33.470 32.665 0.805 25762 4932 1 7 . 1 1 111 111 LYS H H 111 8.239 8.239 8.208 0.031 25762 4933 1 7 . 1 1 112 112 LEU N N 112 123.971 123.971 124.884 -0.913 25762 4934 1 7 . 1 1 112 112 LEU HA H 112 4.410 4.410 4.626 -0.216 25762 4935 1 7 . 1 1 112 112 LEU C C 112 177.404 177.404 177.231 0.173 25762 4936 1 7 . 1 1 112 112 LEU CA C 112 55.150 55.150 53.834 1.315 25762 4937 1 7 . 1 1 112 112 LEU CB C 112 42.349 42.349 42.373 -0.024 25762 4938 1 7 . 1 1 112 112 LEU H H 112 8.340 8.340 8.416 -0.076 25762 4939 1 7 . 1 1 113 113 THR N N 113 116.653 116.653 111.087 5.566 25762 4940 1 7 . 1 1 113 113 THR HA H 113 4.310 4.310 4.335 -0.025 25762 4941 1 7 . 1 1 113 113 THR C C 113 174.082 174.082 174.345 -0.263 25762 4942 1 7 . 1 1 113 113 THR CA C 113 61.676 61.676 62.261 -0.586 25762 4943 1 7 . 1 1 113 113 THR CB C 113 69.090 69.090 69.107 -0.017 25762 4944 1 7 . 1 1 113 113 THR H H 113 8.150 8.150 8.211 -0.061 25762 4945 1 7 . 1 1 114 114 LYS N N 114 125.770 125.770 127.064 -1.294 25762 4946 1 7 . 1 1 114 114 LYS CA C 114 54.157 54.157 56.808 -2.651 25762 4947 1 7 . 1 1 114 114 LYS CB C 114 32.820 32.820 31.367 1.453 25762 4948 1 7 . 1 1 114 114 LYS H H 114 8.290 8.290 8.682 -0.392 25762 4949 1 7 . 1 1 115 115 PRO HA H 115 4.350 4.350 4.443 -0.093 25762 4950 1 7 . 1 1 115 115 PRO C C 115 176.679 176.679 176.057 0.622 25762 4951 1 7 . 1 1 115 115 PRO CA C 115 62.960 62.960 63.220 -0.260 25762 4952 1 7 . 1 1 115 115 PRO CB C 115 31.860 31.860 32.370 -0.509 25762 4953 1 7 . 1 1 116 116 LYS N N 116 123.818 123.818 121.976 1.842 25762 4954 1 7 . 1 1 116 116 LYS CA C 116 54.338 54.338 54.640 -0.302 25762 4955 1 7 . 1 1 116 116 LYS CB C 116 32.913 32.913 33.058 -0.145 25762 4956 1 7 . 1 1 116 116 LYS H H 116 8.441 8.441 8.356 0.085 25762 4957 1 7 . 1 1 117 117 PRO HA H 117 4.403 4.403 4.399 0.004 25762 4958 1 7 . 1 1 117 117 PRO C C 117 177.038 177.038 177.215 -0.177 25762 4959 1 7 . 1 1 117 117 PRO CA C 117 63.360 63.360 63.319 0.041 25762 4960 1 7 . 1 1 117 117 PRO CB C 117 32.060 32.060 32.304 -0.244 25762 4961 1 7 . 1 1 118 118 GLN N N 118 121.596 121.596 120.803 0.793 25762 4962 1 7 . 1 1 118 118 GLN HA H 118 4.270 4.270 4.207 0.063 25762 4963 1 7 . 1 1 118 118 GLN C C 118 175.963 175.963 175.867 0.096 25762 4964 1 7 . 1 1 118 118 GLN CA C 118 55.916 55.916 56.138 -0.222 25762 4965 1 7 . 1 1 118 118 GLN CB C 118 29.743 29.743 28.038 1.706 25762 4966 1 7 . 1 1 118 118 GLN H H 118 8.510 8.510 8.325 0.185 25762 4967 1 7 . 1 1 119 119 ALA N N 119 126.073 126.073 122.330 3.743 25762 4968 1 7 . 1 1 119 119 ALA HA H 119 4.270 4.270 4.009 0.261 25762 4969 1 7 . 1 1 119 119 ALA C C 119 177.921 177.921 176.562 1.359 25762 4970 1 7 . 1 1 119 119 ALA CA C 119 52.765 52.765 52.149 0.616 25762 4971 1 7 . 1 1 119 119 ALA CB C 119 19.501 19.501 18.363 1.138 25762 4972 1 7 . 1 1 119 119 ALA H H 119 8.389 8.389 7.639 0.750 25762 4973 1 7 . 1 1 120 120 GLU N N 120 121.107 121.107 120.481 0.626 25762 4974 1 7 . 1 1 120 120 GLU HA H 120 4.260 4.260 4.160 0.100 25762 4975 1 7 . 1 1 120 120 GLU C C 120 176.819 176.819 174.744 2.075 25762 4976 1 7 . 1 1 120 120 GLU CA C 120 56.680 56.680 56.600 0.080 25762 4977 1 7 . 1 1 120 120 GLU CB C 120 30.482 30.482 29.878 0.604 25762 4978 1 7 . 1 1 120 120 GLU H H 120 8.441 8.441 8.646 -0.205 25762 4979 1 7 . 1 1 121 121 SER N N 121 117.791 117.791 115.575 2.216 25762 4980 1 7 . 1 1 121 121 SER HA H 121 4.410 4.410 4.662 -0.252 25762 4981 1 7 . 1 1 121 121 SER C C 121 174.892 174.892 174.338 0.554 25762 4982 1 7 . 1 1 121 121 SER CA C 121 58.548 58.548 57.508 1.040 25762 4983 1 7 . 1 1 121 121 SER CB C 121 63.668 63.668 64.472 -0.804 25762 4984 1 7 . 1 1 121 121 SER H H 121 8.379 8.379 8.141 0.238 25762 4985 1 7 . 1 1 122 122 LYS N N 122 123.955 123.955 121.821 2.134 25762 4986 1 7 . 1 1 122 122 LYS CA C 122 56.474 56.474 57.826 -1.352 25762 4987 1 7 . 1 1 122 122 LYS CB C 122 33.335 33.335 32.516 0.819 25762 4988 1 7 . 1 1 122 122 LYS H H 122 8.329 8.329 8.422 -0.093 25762 4989 1 7 . 1 1 125 125 LYS HA H 125 4.310 4.310 4.514 -0.204 25762 4990 1 7 . 1 1 125 125 LYS C C 125 176.721 176.721 176.310 0.411 25762 4991 1 7 . 1 1 125 125 LYS CA C 125 56.580 56.580 55.858 0.722 25762 4992 1 7 . 1 1 125 125 LYS CB C 125 32.810 32.810 33.913 -1.103 25762 4993 1 7 . 1 1 126 126 LYS N N 126 122.569 122.569 120.909 1.660 25762 4994 1 7 . 1 1 126 126 LYS HA H 126 4.320 4.320 4.166 0.154 25762 4995 1 7 . 1 1 126 126 LYS C C 126 176.512 176.512 176.601 -0.089 25762 4996 1 7 . 1 1 126 126 LYS CA C 126 56.440 56.440 57.557 -1.117 25762 4997 1 7 . 1 1 126 126 LYS CB C 126 33.057 33.057 32.695 0.362 25762 4998 1 7 . 1 1 126 126 LYS H H 126 8.169 8.169 8.550 -0.381 25762 4999 1 7 . 1 1 127 127 GLU N N 127 123.450 123.450 114.371 9.079 25762 5000 1 7 . 1 1 127 127 GLU HA H 127 4.310 4.310 4.128 0.182 25762 5001 1 7 . 1 1 127 127 GLU C C 127 176.800 176.800 176.183 0.617 25762 5002 1 7 . 1 1 127 127 GLU CA C 127 56.474 56.474 56.688 -0.214 25762 5003 1 7 . 1 1 127 127 GLU CB C 127 30.620 30.620 27.492 3.128 25762 5004 1 7 . 1 1 127 127 GLU H H 127 8.459 8.459 8.368 0.091 25762 5005 1 7 . 1 1 128 128 GLY N N 128 110.800 110.800 106.848 3.952 25762 5006 1 7 . 1 1 128 128 GLY CA C 128 45.300 45.300 45.505 -0.205 25762 5007 1 7 . 1 1 128 128 GLY H H 128 8.440 8.440 8.264 0.176 25762 5008 1 7 . 1 1 129 129 LYS HA H 129 4.270 4.270 4.491 -0.221 25762 5009 1 7 . 1 1 129 129 LYS C C 129 176.516 176.516 175.262 1.254 25762 5010 1 7 . 1 1 129 129 LYS CA C 129 56.480 56.480 55.567 0.913 25762 5011 1 7 . 1 1 129 129 LYS CB C 129 32.860 32.860 32.117 0.743 25762 5012 1 7 . 1 1 130 130 LYS N N 130 124.071 124.071 124.881 -0.810 25762 5013 1 7 . 1 1 130 130 LYS HA H 130 4.270 4.270 4.344 -0.074 25762 5014 1 7 . 1 1 130 130 LYS C C 130 176.545 176.545 175.977 0.568 25762 5015 1 7 . 1 1 130 130 LYS CA C 130 56.495 56.495 56.658 -0.163 25762 5016 1 7 . 1 1 130 130 LYS CB C 130 33.020 33.020 33.528 -0.507 25762 5017 1 7 . 1 1 130 130 LYS H H 130 8.409 8.409 8.598 -0.189 25762 5018 1 7 . 1 1 131 131 GLN N N 131 122.710 122.710 123.118 -0.408 25762 5019 1 7 . 1 1 131 131 GLN HA H 131 4.440 4.440 4.107 0.333 25762 5020 1 7 . 1 1 131 131 GLN C C 131 175.866 175.866 174.937 0.929 25762 5021 1 7 . 1 1 131 131 GLN CA C 131 56.016 56.016 56.197 -0.181 25762 5022 1 7 . 1 1 131 131 GLN CB C 131 29.663 29.663 28.886 0.777 25762 5023 1 7 . 1 1 131 131 GLN H H 131 8.467 8.467 8.612 -0.145 25762 5024 1 7 . 1 1 132 132 GLU N N 132 123.586 123.586 121.588 1.998 25762 5025 1 7 . 1 1 132 132 GLU HA H 132 4.250 4.250 4.246 0.004 25762 5026 1 7 . 1 1 132 132 GLU C C 132 176.354 176.354 176.658 -0.304 25762 5027 1 7 . 1 1 132 132 GLU CA C 132 56.537 56.537 56.555 -0.018 25762 5028 1 7 . 1 1 132 132 GLU CB C 132 30.614 30.614 30.150 0.464 25762 5029 1 7 . 1 1 132 132 GLU H H 132 8.490 8.490 8.447 0.043 25762 5030 1 7 . 1 1 133 133 LYS N N 133 123.918 123.918 125.225 -1.307 25762 5031 1 7 . 1 1 133 133 LYS HA H 133 4.280 4.280 4.367 -0.087 25762 5032 1 7 . 1 1 133 133 LYS C C 133 176.232 176.232 176.169 0.063 25762 5033 1 7 . 1 1 133 133 LYS CA C 133 56.311 56.311 55.783 0.528 25762 5034 1 7 . 1 1 133 133 LYS CB C 133 33.137 33.137 33.350 -0.213 25762 5035 1 7 . 1 1 133 133 LYS H H 133 8.373 8.373 8.434 -0.061 25762 5036 1 7 . 1 1 134 134 MET N N 134 122.994 122.994 126.322 -3.328 25762 5037 1 7 . 1 1 134 134 MET HA H 134 4.480 4.480 4.419 0.061 25762 5038 1 7 . 1 1 134 134 MET C C 134 175.946 175.946 175.480 0.466 25762 5039 1 7 . 1 1 134 134 MET CA C 134 55.563 55.563 55.034 0.529 25762 5040 1 7 . 1 1 134 134 MET CB C 134 32.010 32.010 33.141 -1.131 25762 5041 1 7 . 1 1 134 134 MET H H 134 8.436 8.436 8.686 -0.250 25762 5042 1 7 . 1 1 135 135 LEU N N 135 124.454 124.454 130.076 -5.622 25762 5043 1 7 . 1 1 135 135 LEU HA H 135 4.380 4.380 4.457 -0.077 25762 5044 1 7 . 1 1 135 135 LEU C C 135 176.158 176.158 176.551 -0.393 25762 5045 1 7 . 1 1 135 135 LEU CA C 135 55.225 55.225 54.695 0.530 25762 5046 1 7 . 1 1 135 135 LEU CB C 135 42.654 42.654 42.174 0.480 25762 5047 1 7 . 1 1 135 135 LEU H H 135 8.285 8.285 8.452 -0.167 25762 5048 1 8 . 1 1 2 2 LYS N N 2 121.740 121.740 120.026 1.714 25762 5049 1 8 . 1 1 2 2 LYS CA C 2 56.298 56.298 55.857 0.441 25762 5050 1 8 . 1 1 2 2 LYS CB C 2 33.384 33.384 33.718 -0.334 25762 5051 1 8 . 1 1 2 2 LYS H H 2 8.229 8.229 8.453 -0.224 25762 5052 1 8 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.665 -0.265 25762 5053 1 8 . 1 1 6 6 PRO C C 6 176.964 176.964 176.274 0.690 25762 5054 1 8 . 1 1 6 6 PRO CA C 6 63.200 63.200 62.943 0.257 25762 5055 1 8 . 1 1 6 6 PRO CB C 6 32.100 32.100 32.276 -0.176 25762 5056 1 8 . 1 1 7 7 GLU N N 7 122.285 122.285 119.760 2.525 25762 5057 1 8 . 1 1 7 7 GLU HA H 7 4.260 4.260 4.432 -0.172 25762 5058 1 8 . 1 1 7 7 GLU C C 7 176.226 176.226 176.812 -0.586 25762 5059 1 8 . 1 1 7 7 GLU CA C 7 56.493 56.493 55.697 0.796 25762 5060 1 8 . 1 1 7 7 GLU CB C 7 30.610 30.610 29.859 0.751 25762 5061 1 8 . 1 1 7 7 GLU H H 7 8.551 8.551 8.375 0.176 25762 5062 1 8 . 1 1 8 8 LYS N N 8 122.572 122.572 124.798 -2.226 25762 5063 1 8 . 1 1 8 8 LYS HA H 8 4.310 4.310 4.115 0.195 25762 5064 1 8 . 1 1 8 8 LYS C C 8 176.541 176.541 176.481 0.060 25762 5065 1 8 . 1 1 8 8 LYS CA C 8 56.440 56.440 56.938 -0.498 25762 5066 1 8 . 1 1 8 8 LYS CB C 8 33.195 33.195 32.716 0.479 25762 5067 1 8 . 1 1 8 8 LYS H H 8 8.346 8.346 8.797 -0.451 25762 5068 1 8 . 1 1 9 9 LYS N N 9 123.843 123.843 117.016 6.827 25762 5069 1 8 . 1 1 9 9 LYS HA H 9 4.330 4.330 3.983 0.347 25762 5070 1 8 . 1 1 9 9 LYS C C 9 176.390 176.390 174.786 1.604 25762 5071 1 8 . 1 1 9 9 LYS CA C 9 56.537 56.537 56.801 -0.264 25762 5072 1 8 . 1 1 9 9 LYS CB C 9 33.160 33.160 32.512 0.648 25762 5073 1 8 . 1 1 9 9 LYS H H 9 8.505 8.505 8.021 0.484 25762 5074 1 8 . 1 1 10 10 VAL N N 10 123.043 123.043 122.883 0.160 25762 5075 1 8 . 1 1 10 10 VAL HA H 10 4.080 4.080 4.354 -0.274 25762 5076 1 8 . 1 1 10 10 VAL C C 10 175.887 175.887 175.738 0.149 25762 5077 1 8 . 1 1 10 10 VAL CA C 10 62.159 62.159 60.528 1.631 25762 5078 1 8 . 1 1 10 10 VAL CB C 10 33.080 33.080 34.612 -1.532 25762 5079 1 8 . 1 1 10 10 VAL H H 10 8.206 8.206 8.267 -0.061 25762 5080 1 8 . 1 1 11 11 LYS N N 11 126.952 126.952 127.148 -0.196 25762 5081 1 8 . 1 1 11 11 LYS HA H 11 4.320 4.320 4.437 -0.117 25762 5082 1 8 . 1 1 11 11 LYS C C 11 176.257 176.257 175.230 1.027 25762 5083 1 8 . 1 1 11 11 LYS CA C 11 56.085 56.085 55.745 0.340 25762 5084 1 8 . 1 1 11 11 LYS CB C 11 33.320 33.320 31.202 2.118 25762 5085 1 8 . 1 1 11 11 LYS H H 11 8.433 8.433 8.674 -0.241 25762 5086 1 8 . 1 1 12 12 LYS N N 12 125.023 125.023 120.521 4.502 25762 5087 1 8 . 1 1 12 12 LYS HA H 12 4.260 4.260 4.508 -0.248 25762 5088 1 8 . 1 1 12 12 LYS C C 12 176.306 176.306 175.770 0.536 25762 5089 1 8 . 1 1 12 12 LYS CA C 12 56.605 56.605 55.569 1.036 25762 5090 1 8 . 1 1 12 12 LYS CB C 12 33.443 33.443 35.443 -2.000 25762 5091 1 8 . 1 1 12 12 LYS H H 12 8.446 8.446 7.787 0.659 25762 5092 1 8 . 1 1 13 13 SER N N 13 117.836 117.836 119.092 -1.256 25762 5093 1 8 . 1 1 13 13 SER HA H 13 4.460 4.460 4.468 -0.008 25762 5094 1 8 . 1 1 13 13 SER C C 13 174.456 174.456 173.944 0.512 25762 5095 1 8 . 1 1 13 13 SER CA C 13 57.950 57.950 58.256 -0.306 25762 5096 1 8 . 1 1 13 13 SER CB C 13 64.048 64.048 63.120 0.928 25762 5097 1 8 . 1 1 13 13 SER H H 13 8.353 8.353 8.730 -0.377 25762 5098 1 8 . 1 1 14 14 ASP N N 14 124.256 124.256 125.944 -1.688 25762 5099 1 8 . 1 1 14 14 ASP HA H 14 4.570 4.570 4.665 -0.095 25762 5100 1 8 . 1 1 14 14 ASP C C 14 175.559 175.559 175.700 -0.141 25762 5101 1 8 . 1 1 14 14 ASP CA C 14 54.045 54.045 53.532 0.513 25762 5102 1 8 . 1 1 14 14 ASP CB C 14 41.037 41.037 41.781 -0.744 25762 5103 1 8 . 1 1 14 14 ASP H H 14 8.479 8.479 8.060 0.419 25762 5104 1 8 . 1 1 15 15 CYS N N 15 117.954 117.954 125.778 -7.824 25762 5105 1 8 . 1 1 15 15 CYS HA H 15 4.650 4.650 4.185 0.465 25762 5106 1 8 . 1 1 15 15 CYS C C 15 175.354 175.354 173.535 1.819 25762 5107 1 8 . 1 1 15 15 CYS CA C 15 55.413 55.413 58.942 -3.529 25762 5108 1 8 . 1 1 15 15 CYS CB C 15 43.497 43.497 26.775 16.722 25762 5109 1 8 . 1 1 15 15 CYS H H 15 7.901 7.901 8.910 -1.009 25762 5110 1 8 . 1 1 16 16 GLY N N 16 112.694 112.694 115.159 -2.465 25762 5111 1 8 . 1 1 16 16 GLY C C 16 172.300 172.300 172.131 0.169 25762 5112 1 8 . 1 1 16 16 GLY CA C 16 44.224 44.224 44.944 -0.720 25762 5113 1 8 . 1 1 16 16 GLY H H 16 8.447 8.447 7.756 0.691 25762 5114 1 8 . 1 1 17 17 GLU N N 17 118.500 118.500 119.408 -0.908 25762 5115 1 8 . 1 1 17 17 GLU HA H 17 4.090 4.090 4.103 -0.013 25762 5116 1 8 . 1 1 17 17 GLU C C 17 177.571 177.571 176.819 0.752 25762 5117 1 8 . 1 1 17 17 GLU CA C 17 55.900 55.900 55.432 0.468 25762 5118 1 8 . 1 1 17 17 GLU CB C 17 30.500 30.500 30.774 -0.274 25762 5119 1 8 . 1 1 17 17 GLU H H 17 8.250 8.250 8.452 -0.202 25762 5120 1 8 . 1 1 18 18 TRP N N 18 122.718 122.718 121.134 1.584 25762 5121 1 8 . 1 1 18 18 TRP HA H 18 4.040 4.040 4.503 -0.463 25762 5122 1 8 . 1 1 18 18 TRP C C 18 176.310 176.310 177.029 -0.719 25762 5123 1 8 . 1 1 18 18 TRP CA C 18 58.515 58.515 58.054 0.461 25762 5124 1 8 . 1 1 18 18 TRP CB C 18 30.365 30.365 29.410 0.955 25762 5125 1 8 . 1 1 18 18 TRP H H 18 8.319 8.319 8.351 -0.032 25762 5126 1 8 . 1 1 19 19 GLN N N 19 123.305 123.305 122.784 0.521 25762 5127 1 8 . 1 1 19 19 GLN HA H 19 4.530 4.530 4.652 -0.122 25762 5128 1 8 . 1 1 19 19 GLN C C 19 175.571 175.571 175.039 0.532 25762 5129 1 8 . 1 1 19 19 GLN CA C 19 54.186 54.186 54.755 -0.569 25762 5130 1 8 . 1 1 19 19 GLN CB C 19 29.897 29.897 30.275 -0.378 25762 5131 1 8 . 1 1 19 19 GLN H H 19 9.140 9.140 9.085 0.055 25762 5132 1 8 . 1 1 20 20 TRP N N 20 125.311 125.311 125.765 -0.454 25762 5133 1 8 . 1 1 20 20 TRP HA H 20 5.290 5.290 4.824 0.466 25762 5134 1 8 . 1 1 20 20 TRP C C 20 177.596 177.596 176.726 0.870 25762 5135 1 8 . 1 1 20 20 TRP CA C 20 56.651 56.651 56.934 -0.283 25762 5136 1 8 . 1 1 20 20 TRP CB C 20 32.720 32.720 30.989 1.730 25762 5137 1 8 . 1 1 20 20 TRP H H 20 8.783 8.783 8.800 -0.017 25762 5138 1 8 . 1 1 21 21 SER N N 21 120.041 120.041 116.340 3.701 25762 5139 1 8 . 1 1 21 21 SER HA H 21 4.440 4.440 4.866 -0.426 25762 5140 1 8 . 1 1 21 21 SER C C 21 173.795 173.795 173.920 -0.125 25762 5141 1 8 . 1 1 21 21 SER CA C 21 57.292 57.292 57.542 -0.250 25762 5142 1 8 . 1 1 21 21 SER CB C 21 65.435 65.435 64.209 1.226 25762 5143 1 8 . 1 1 21 21 SER H H 21 9.173 9.173 8.901 0.272 25762 5144 1 8 . 1 1 22 22 VAL N N 22 115.336 115.336 117.004 -1.668 25762 5145 1 8 . 1 1 22 22 VAL HA H 22 4.130 4.130 4.423 -0.293 25762 5146 1 8 . 1 1 22 22 VAL C C 22 175.183 175.183 175.385 -0.202 25762 5147 1 8 . 1 1 22 22 VAL CA C 22 62.008 62.008 61.148 0.860 25762 5148 1 8 . 1 1 22 22 VAL CB C 22 32.859 32.859 33.526 -0.667 25762 5149 1 8 . 1 1 22 22 VAL H H 22 8.099 8.099 8.197 -0.098 25762 5150 1 8 . 1 1 23 23 CYS N N 23 122.154 122.154 123.176 -1.022 25762 5151 1 8 . 1 1 23 23 CYS HA H 23 4.330 4.330 4.565 -0.235 25762 5152 1 8 . 1 1 23 23 CYS C C 23 173.335 173.335 175.117 -1.782 25762 5153 1 8 . 1 1 23 23 CYS CA C 23 56.598 56.598 58.241 -1.643 25762 5154 1 8 . 1 1 23 23 CYS CB C 23 42.166 42.166 25.302 16.864 25762 5155 1 8 . 1 1 23 23 CYS H H 23 8.433 8.433 8.479 -0.046 25762 5156 1 8 . 1 1 24 24 VAL N N 24 133.008 133.008 122.853 10.155 25762 5157 1 8 . 1 1 24 24 VAL HA H 24 4.260 4.260 4.651 -0.391 25762 5158 1 8 . 1 1 24 24 VAL CA C 24 59.409 59.409 59.025 0.384 25762 5159 1 8 . 1 1 24 24 VAL CB C 24 33.572 33.572 33.074 0.498 25762 5160 1 8 . 1 1 24 24 VAL H H 24 8.790 8.790 7.926 0.864 25762 5161 1 8 . 1 1 25 25 PRO HA H 25 4.380 4.380 4.364 0.016 25762 5162 1 8 . 1 1 25 25 PRO C C 25 176.853 176.853 176.752 0.101 25762 5163 1 8 . 1 1 25 25 PRO CA C 25 62.700 62.700 64.460 -1.760 25762 5164 1 8 . 1 1 25 25 PRO CB C 25 31.600 31.600 31.959 -0.359 25762 5165 1 8 . 1 1 26 26 THR N N 26 121.729 121.729 107.060 14.669 25762 5166 1 8 . 1 1 26 26 THR HA H 26 3.970 3.970 4.077 -0.107 25762 5167 1 8 . 1 1 26 26 THR C C 26 174.891 174.891 174.054 0.837 25762 5168 1 8 . 1 1 26 26 THR CA C 26 65.598 65.598 63.329 2.269 25762 5169 1 8 . 1 1 26 26 THR CB C 26 69.136 69.136 68.160 0.976 25762 5170 1 8 . 1 1 26 26 THR H H 26 9.199 9.199 8.356 0.843 25762 5171 1 8 . 1 1 27 27 SER N N 27 115.495 115.495 114.025 1.470 25762 5172 1 8 . 1 1 27 27 SER HA H 27 4.590 4.590 4.685 -0.095 25762 5173 1 8 . 1 1 27 27 SER C C 27 173.700 173.700 173.479 0.221 25762 5174 1 8 . 1 1 27 27 SER CA C 27 57.326 57.326 56.745 0.581 25762 5175 1 8 . 1 1 27 27 SER CB C 27 64.749 64.749 64.659 0.090 25762 5176 1 8 . 1 1 27 27 SER H H 27 8.676 8.676 7.814 0.862 25762 5177 1 8 . 1 1 28 28 GLY N N 28 111.492 111.492 106.694 4.798 25762 5178 1 8 . 1 1 28 28 GLY C C 28 173.803 173.803 174.475 -0.672 25762 5179 1 8 . 1 1 28 28 GLY CA C 28 45.965 45.965 45.894 0.071 25762 5180 1 8 . 1 1 28 28 GLY H H 28 8.482 8.482 8.260 0.222 25762 5181 1 8 . 1 1 29 29 ASP N N 29 118.893 118.893 121.877 -2.984 25762 5182 1 8 . 1 1 29 29 ASP HA H 29 4.750 4.750 4.699 0.051 25762 5183 1 8 . 1 1 29 29 ASP C C 29 175.806 175.806 175.510 0.296 25762 5184 1 8 . 1 1 29 29 ASP CA C 29 53.476 53.476 52.735 0.741 25762 5185 1 8 . 1 1 29 29 ASP CB C 29 42.140 42.140 38.329 3.811 25762 5186 1 8 . 1 1 29 29 ASP H H 29 8.412 8.412 8.053 0.358 25762 5187 1 8 . 1 1 30 30 CYS N N 30 113.937 113.937 118.136 -4.199 25762 5188 1 8 . 1 1 30 30 CYS HA H 30 3.840 3.840 4.185 -0.345 25762 5189 1 8 . 1 1 30 30 CYS C C 30 170.767 170.767 174.417 -3.650 25762 5190 1 8 . 1 1 30 30 CYS CA C 30 56.060 56.060 58.661 -2.601 25762 5191 1 8 . 1 1 30 30 CYS CB C 30 47.900 47.900 26.979 20.921 25762 5192 1 8 . 1 1 30 30 CYS H H 30 7.983 7.983 8.257 -0.274 25762 5193 1 8 . 1 1 31 31 GLY N N 31 110.972 110.972 108.304 2.668 25762 5194 1 8 . 1 1 31 31 GLY C C 31 173.804 173.804 172.684 1.120 25762 5195 1 8 . 1 1 31 31 GLY CA C 31 44.043 44.043 44.349 -0.306 25762 5196 1 8 . 1 1 31 31 GLY H H 31 9.376 9.376 7.938 1.438 25762 5197 1 8 . 1 1 32 32 LEU N N 32 123.077 123.077 121.177 1.900 25762 5198 1 8 . 1 1 32 32 LEU HA H 32 4.440 4.440 4.565 -0.125 25762 5199 1 8 . 1 1 32 32 LEU C C 32 177.802 177.802 176.144 1.658 25762 5200 1 8 . 1 1 32 32 LEU CA C 32 55.904 55.904 54.155 1.749 25762 5201 1 8 . 1 1 32 32 LEU CB C 32 42.825 42.825 43.583 -0.758 25762 5202 1 8 . 1 1 32 32 LEU H H 32 8.493 8.493 8.326 0.167 25762 5203 1 8 . 1 1 33 33 GLY N N 33 110.436 110.436 112.640 -2.204 25762 5204 1 8 . 1 1 33 33 GLY C C 33 174.279 174.279 173.013 1.266 25762 5205 1 8 . 1 1 33 33 GLY CA C 33 45.930 45.930 44.442 1.488 25762 5206 1 8 . 1 1 33 33 GLY H H 33 8.658 8.658 8.255 0.403 25762 5207 1 8 . 1 1 34 34 THR N N 34 113.118 113.118 115.066 -1.948 25762 5208 1 8 . 1 1 34 34 THR HA H 34 5.166 5.166 4.966 0.200 25762 5209 1 8 . 1 1 34 34 THR C C 34 173.246 173.246 173.173 0.073 25762 5210 1 8 . 1 1 34 34 THR CA C 34 60.776 60.776 61.885 -1.109 25762 5211 1 8 . 1 1 34 34 THR CB C 34 72.892 72.892 72.196 0.696 25762 5212 1 8 . 1 1 34 34 THR H H 34 8.040 8.040 7.899 0.141 25762 5213 1 8 . 1 1 35 35 ARG N N 35 120.371 120.371 122.428 -2.057 25762 5214 1 8 . 1 1 35 35 ARG HA H 35 4.980 4.980 4.903 0.077 25762 5215 1 8 . 1 1 35 35 ARG C C 35 173.802 173.802 173.621 0.181 25762 5216 1 8 . 1 1 35 35 ARG CA C 35 54.100 54.100 54.667 -0.567 25762 5217 1 8 . 1 1 35 35 ARG CB C 35 33.790 33.790 34.084 -0.293 25762 5218 1 8 . 1 1 35 35 ARG H H 35 9.104 9.104 9.273 -0.169 25762 5219 1 8 . 1 1 36 36 GLU N N 36 122.259 122.259 122.496 -0.237 25762 5220 1 8 . 1 1 36 36 GLU HA H 36 5.160 5.160 5.072 0.088 25762 5221 1 8 . 1 1 36 36 GLU C C 36 175.960 175.960 175.750 0.210 25762 5222 1 8 . 1 1 36 36 GLU CA C 36 55.209 55.209 55.101 0.108 25762 5223 1 8 . 1 1 36 36 GLU CB C 36 32.652 32.652 33.018 -0.366 25762 5224 1 8 . 1 1 36 36 GLU H H 36 8.750 8.750 8.771 -0.021 25762 5225 1 8 . 1 1 37 37 GLY N N 37 116.895 116.895 110.936 5.959 25762 5226 1 8 . 1 1 37 37 GLY C C 37 173.097 173.097 172.584 0.513 25762 5227 1 8 . 1 1 37 37 GLY CA C 37 44.195 44.195 43.473 0.722 25762 5228 1 8 . 1 1 37 37 GLY H H 37 9.479 9.479 9.069 0.410 25762 5229 1 8 . 1 1 38 38 THR N N 38 114.848 114.848 112.961 1.887 25762 5230 1 8 . 1 1 38 38 THR HA H 38 5.540 5.540 5.435 0.105 25762 5231 1 8 . 1 1 38 38 THR C C 38 173.004 173.004 172.759 0.245 25762 5232 1 8 . 1 1 38 38 THR CA C 38 59.751 59.751 60.109 -0.358 25762 5233 1 8 . 1 1 38 38 THR CB C 38 72.666 72.666 72.511 0.155 25762 5234 1 8 . 1 1 38 38 THR H H 38 8.485 8.485 8.474 0.011 25762 5235 1 8 . 1 1 39 39 ARG N N 39 119.072 119.072 122.170 -3.098 25762 5236 1 8 . 1 1 39 39 ARG HA H 39 4.640 4.640 4.455 0.185 25762 5237 1 8 . 1 1 39 39 ARG C C 39 174.649 174.649 173.978 0.671 25762 5238 1 8 . 1 1 39 39 ARG CA C 39 54.587 54.587 54.974 -0.386 25762 5239 1 8 . 1 1 39 39 ARG CB C 39 33.285 33.285 33.048 0.237 25762 5240 1 8 . 1 1 39 39 ARG H H 39 8.231 8.231 9.035 -0.804 25762 5241 1 8 . 1 1 40 40 THR N N 40 111.009 111.009 114.706 -3.697 25762 5242 1 8 . 1 1 40 40 THR HA H 40 4.440 4.440 4.719 -0.279 25762 5243 1 8 . 1 1 40 40 THR C C 40 173.890 173.890 172.977 0.913 25762 5244 1 8 . 1 1 40 40 THR CA C 40 60.431 60.431 59.663 0.768 25762 5245 1 8 . 1 1 40 40 THR CB C 40 71.163 71.163 71.995 -0.832 25762 5246 1 8 . 1 1 40 40 THR H H 40 8.097 8.097 8.151 -0.054 25762 5247 1 8 . 1 1 41 41 GLY N N 41 110.094 110.094 107.453 2.641 25762 5248 1 8 . 1 1 41 41 GLY C C 41 174.489 174.489 173.121 1.368 25762 5249 1 8 . 1 1 41 41 GLY CA C 41 45.487 45.487 44.650 0.837 25762 5250 1 8 . 1 1 41 41 GLY H H 41 8.146 8.146 8.154 -0.008 25762 5251 1 8 . 1 1 42 42 ALA N N 42 130.030 130.030 122.084 7.946 25762 5252 1 8 . 1 1 42 42 ALA HA H 42 4.150 4.150 4.119 0.031 25762 5253 1 8 . 1 1 42 42 ALA C C 42 179.063 179.063 178.147 0.916 25762 5254 1 8 . 1 1 42 42 ALA CA C 42 54.737 54.737 54.540 0.197 25762 5255 1 8 . 1 1 42 42 ALA CB C 42 19.258 19.258 18.814 0.444 25762 5256 1 8 . 1 1 42 42 ALA H H 42 8.844 8.844 8.574 0.270 25762 5257 1 8 . 1 1 43 43 GLU N N 43 116.721 116.721 116.114 0.607 25762 5258 1 8 . 1 1 43 43 GLU HA H 43 4.350 4.350 4.302 0.048 25762 5259 1 8 . 1 1 43 43 GLU C C 43 175.825 175.825 175.474 0.351 25762 5260 1 8 . 1 1 43 43 GLU CA C 43 54.964 54.964 55.638 -0.673 25762 5261 1 8 . 1 1 43 43 GLU CB C 43 29.372 29.372 28.794 0.578 25762 5262 1 8 . 1 1 43 43 GLU H H 43 9.070 9.070 8.178 0.892 25762 5263 1 8 . 1 1 44 44 CYS N N 44 120.031 120.031 117.876 2.155 25762 5264 1 8 . 1 1 44 44 CYS C C 44 174.887 174.887 175.492 -0.605 25762 5265 1 8 . 1 1 44 44 CYS CA C 44 55.287 55.287 58.873 -3.586 25762 5266 1 8 . 1 1 44 44 CYS CB C 44 41.215 41.215 25.181 16.034 25762 5267 1 8 . 1 1 44 44 CYS H H 44 7.427 7.427 7.650 -0.223 25762 5268 1 8 . 1 1 45 45 LYS N N 45 127.192 127.192 121.926 5.266 25762 5269 1 8 . 1 1 45 45 LYS HA H 45 4.220 4.220 4.231 -0.011 25762 5270 1 8 . 1 1 45 45 LYS C C 45 176.464 176.464 176.434 0.030 25762 5271 1 8 . 1 1 45 45 LYS CA C 45 57.793 57.793 56.340 1.453 25762 5272 1 8 . 1 1 45 45 LYS CB C 45 32.251 32.251 33.131 -0.880 25762 5273 1 8 . 1 1 45 45 LYS H H 45 8.655 8.655 8.243 0.412 25762 5274 1 8 . 1 1 46 46 GLN N N 46 119.454 119.454 117.176 2.278 25762 5275 1 8 . 1 1 46 46 GLN HA H 46 4.690 4.690 4.095 0.595 25762 5276 1 8 . 1 1 46 46 GLN C C 46 175.524 175.524 174.481 1.043 25762 5277 1 8 . 1 1 46 46 GLN CA C 46 55.759 55.759 56.372 -0.613 25762 5278 1 8 . 1 1 46 46 GLN CB C 46 29.672 29.672 27.500 2.172 25762 5279 1 8 . 1 1 46 46 GLN H H 46 7.831 7.831 7.945 -0.114 25762 5280 1 8 . 1 1 47 47 THR N N 47 116.122 116.122 119.052 -2.930 25762 5281 1 8 . 1 1 47 47 THR HA H 47 4.701 4.701 4.582 0.119 25762 5282 1 8 . 1 1 47 47 THR C C 47 173.458 173.458 173.206 0.252 25762 5283 1 8 . 1 1 47 47 THR CA C 47 61.693 61.693 62.716 -1.023 25762 5284 1 8 . 1 1 47 47 THR CB C 47 69.773 69.773 70.149 -0.376 25762 5285 1 8 . 1 1 47 47 THR H H 47 8.633 8.633 8.554 0.079 25762 5286 1 8 . 1 1 48 48 MET N N 48 121.378 121.378 126.135 -4.757 25762 5287 1 8 . 1 1 48 48 MET HA H 48 5.610 5.610 5.307 0.303 25762 5288 1 8 . 1 1 48 48 MET C C 48 174.850 174.850 174.262 0.588 25762 5289 1 8 . 1 1 48 48 MET CA C 48 55.321 55.321 54.434 0.887 25762 5290 1 8 . 1 1 48 48 MET CB C 48 36.529 36.529 36.723 -0.194 25762 5291 1 8 . 1 1 48 48 MET H H 48 7.838 7.838 8.815 -0.977 25762 5292 1 8 . 1 1 49 49 LYS N N 49 123.748 123.748 125.140 -1.392 25762 5293 1 8 . 1 1 49 49 LYS HA H 49 4.560 4.560 4.874 -0.314 25762 5294 1 8 . 1 1 49 49 LYS C C 49 173.773 173.773 174.314 -0.541 25762 5295 1 8 . 1 1 49 49 LYS CA C 49 55.899 55.899 54.759 1.140 25762 5296 1 8 . 1 1 49 49 LYS CB C 49 36.032 36.032 36.258 -0.226 25762 5297 1 8 . 1 1 49 49 LYS H H 49 8.539 8.539 8.957 -0.418 25762 5298 1 8 . 1 1 50 50 THR N N 50 117.276 117.276 117.150 0.126 25762 5299 1 8 . 1 1 50 50 THR HA H 50 5.330 5.330 5.286 0.044 25762 5300 1 8 . 1 1 50 50 THR C C 50 174.047 174.047 173.686 0.361 25762 5301 1 8 . 1 1 50 50 THR CA C 50 61.169 61.169 60.356 0.813 25762 5302 1 8 . 1 1 50 50 THR CB C 50 71.019 71.019 70.901 0.118 25762 5303 1 8 . 1 1 50 50 THR H H 50 8.416 8.416 8.233 0.183 25762 5304 1 8 . 1 1 51 51 GLN N N 51 123.996 123.996 124.322 -0.326 25762 5305 1 8 . 1 1 51 51 GLN HA H 51 4.680 4.680 4.702 -0.022 25762 5306 1 8 . 1 1 51 51 GLN C C 51 174.453 174.453 174.242 0.211 25762 5307 1 8 . 1 1 51 51 GLN CA C 51 54.079 54.079 54.254 -0.175 25762 5308 1 8 . 1 1 51 51 GLN CB C 51 34.352 34.352 32.801 1.551 25762 5309 1 8 . 1 1 51 51 GLN H H 51 9.034 9.034 9.338 -0.304 25762 5310 1 8 . 1 1 52 52 ARG N N 52 124.759 124.759 124.921 -0.162 25762 5311 1 8 . 1 1 52 52 ARG HA H 52 4.600 4.600 4.695 -0.095 25762 5312 1 8 . 1 1 52 52 ARG C C 52 174.978 174.978 175.727 -0.749 25762 5313 1 8 . 1 1 52 52 ARG CA C 52 56.600 56.600 55.663 0.937 25762 5314 1 8 . 1 1 52 52 ARG CB C 52 30.812 30.812 30.744 0.068 25762 5315 1 8 . 1 1 52 52 ARG H H 52 8.520 8.520 8.489 0.031 25762 5316 1 8 . 1 1 53 53 CYS N N 53 120.158 120.158 124.190 -4.032 25762 5317 1 8 . 1 1 53 53 CYS HA H 53 4.130 4.130 4.342 -0.212 25762 5318 1 8 . 1 1 53 53 CYS C C 53 170.755 170.755 174.603 -3.848 25762 5319 1 8 . 1 1 53 53 CYS CA C 53 54.574 54.574 59.404 -4.830 25762 5320 1 8 . 1 1 53 53 CYS CB C 53 47.178 47.178 27.473 19.705 25762 5321 1 8 . 1 1 53 53 CYS H H 53 8.167 8.167 8.389 -0.222 25762 5322 1 8 . 1 1 54 54 LYS N N 54 120.283 120.283 121.983 -1.700 25762 5323 1 8 . 1 1 54 54 LYS HA H 54 4.840 4.840 4.658 0.182 25762 5324 1 8 . 1 1 54 54 LYS C C 54 175.166 175.166 175.114 0.052 25762 5325 1 8 . 1 1 54 54 LYS CA C 54 55.611 55.611 55.586 0.025 25762 5326 1 8 . 1 1 54 54 LYS CB C 54 36.066 36.066 33.404 2.662 25762 5327 1 8 . 1 1 54 54 LYS H H 54 8.489 8.489 8.382 0.107 25762 5328 1 8 . 1 1 55 55 ILE N N 55 126.794 126.794 127.773 -0.979 25762 5329 1 8 . 1 1 55 55 ILE HA H 55 4.600 4.600 4.475 0.125 25762 5330 1 8 . 1 1 55 55 ILE CA C 55 57.299 57.299 57.836 -0.537 25762 5331 1 8 . 1 1 55 55 ILE CB C 55 41.759 41.759 38.789 2.970 25762 5332 1 8 . 1 1 55 55 ILE H H 55 8.673 8.673 8.323 0.350 25762 5333 1 8 . 1 1 56 56 PRO HA H 56 4.360 4.360 4.404 -0.044 25762 5334 1 8 . 1 1 56 56 PRO C C 56 176.748 176.748 175.684 1.064 25762 5335 1 8 . 1 1 56 56 PRO CA C 56 63.790 63.790 62.962 0.827 25762 5336 1 8 . 1 1 56 56 PRO CB C 56 32.200 32.200 31.538 0.662 25762 5337 1 8 . 1 1 57 57 CYS N N 57 121.411 121.411 124.724 -3.313 25762 5338 1 8 . 1 1 57 57 CYS HA H 57 4.160 4.160 4.524 -0.364 25762 5339 1 8 . 1 1 57 57 CYS C C 57 174.867 174.867 175.006 -0.139 25762 5340 1 8 . 1 1 57 57 CYS CA C 57 54.490 54.490 57.920 -3.430 25762 5341 1 8 . 1 1 57 57 CYS CB C 57 43.090 43.090 28.480 14.610 25762 5342 1 8 . 1 1 57 57 CYS H H 57 8.782 8.782 8.384 0.398 25762 5343 1 8 . 1 1 58 58 ASN N N 58 120.918 120.918 122.281 -1.363 25762 5344 1 8 . 1 1 58 58 ASN HA H 58 4.620 4.620 4.434 0.186 25762 5345 1 8 . 1 1 58 58 ASN C C 58 175.129 175.129 174.276 0.853 25762 5346 1 8 . 1 1 58 58 ASN CA C 58 53.832 53.832 53.276 0.555 25762 5347 1 8 . 1 1 58 58 ASN CB C 58 38.634 38.634 39.316 -0.683 25762 5348 1 8 . 1 1 58 58 ASN H H 58 8.551 8.551 8.394 0.157 25762 5349 1 8 . 1 1 59 59 TRP N N 59 121.791 121.791 121.686 0.105 25762 5350 1 8 . 1 1 59 59 TRP HA H 59 4.604 4.604 4.591 0.013 25762 5351 1 8 . 1 1 59 59 TRP C C 59 176.374 176.374 176.170 0.204 25762 5352 1 8 . 1 1 59 59 TRP CA C 59 57.605 57.605 56.762 0.843 25762 5353 1 8 . 1 1 59 59 TRP CB C 59 29.487 29.487 28.713 0.774 25762 5354 1 8 . 1 1 59 59 TRP H H 59 8.010 8.010 7.753 0.257 25762 5355 1 8 . 1 1 60 60 LYS N N 60 122.289 122.289 124.045 -1.756 25762 5356 1 8 . 1 1 60 60 LYS HA H 60 4.070 4.070 4.507 -0.437 25762 5357 1 8 . 1 1 60 60 LYS C C 60 176.685 176.685 176.505 0.180 25762 5358 1 8 . 1 1 60 60 LYS CA C 60 56.926 56.926 55.146 1.780 25762 5359 1 8 . 1 1 60 60 LYS CB C 60 32.877 32.877 33.750 -0.873 25762 5360 1 8 . 1 1 60 60 LYS H H 60 7.751 7.751 8.419 -0.668 25762 5361 1 8 . 1 1 61 61 LYS N N 61 121.691 121.691 122.374 -0.683 25762 5362 1 8 . 1 1 61 61 LYS HA H 61 4.160 4.160 4.506 -0.346 25762 5363 1 8 . 1 1 61 61 LYS C C 61 176.731 176.731 176.319 0.412 25762 5364 1 8 . 1 1 61 61 LYS CA C 61 56.804 56.804 57.295 -0.491 25762 5365 1 8 . 1 1 61 61 LYS CB C 61 32.910 32.910 32.732 0.178 25762 5366 1 8 . 1 1 61 61 LYS H H 61 7.963 7.963 8.557 -0.594 25762 5367 1 8 . 1 1 62 62 GLN N N 62 120.611 120.611 122.279 -1.668 25762 5368 1 8 . 1 1 62 62 GLN HA H 62 4.240 4.240 4.529 -0.289 25762 5369 1 8 . 1 1 62 62 GLN C C 62 175.696 175.696 176.184 -0.488 25762 5370 1 8 . 1 1 62 62 GLN CA C 62 56.416 56.416 55.574 0.842 25762 5371 1 8 . 1 1 62 62 GLN CB C 62 29.722 29.722 28.755 0.967 25762 5372 1 8 . 1 1 62 62 GLN H H 62 8.177 8.177 8.868 -0.691 25762 5373 1 8 . 1 1 63 63 PHE N N 63 119.964 119.964 121.202 -1.238 25762 5374 1 8 . 1 1 63 63 PHE HA H 63 4.750 4.750 4.272 0.478 25762 5375 1 8 . 1 1 63 63 PHE C C 63 175.958 175.958 175.692 0.266 25762 5376 1 8 . 1 1 63 63 PHE CA C 63 57.339 57.339 59.909 -2.570 25762 5377 1 8 . 1 1 63 63 PHE CB C 63 39.813 39.813 39.336 0.477 25762 5378 1 8 . 1 1 63 63 PHE H H 63 7.990 7.990 8.297 -0.307 25762 5379 1 8 . 1 1 64 64 GLY N N 64 110.674 110.674 103.854 6.820 25762 5380 1 8 . 1 1 64 64 GLY C C 64 174.297 174.297 173.482 0.815 25762 5381 1 8 . 1 1 64 64 GLY CA C 64 45.306 45.306 44.616 0.690 25762 5382 1 8 . 1 1 64 64 GLY H H 64 8.427 8.427 8.109 0.318 25762 5383 1 8 . 1 1 65 65 ALA N N 65 124.213 124.213 126.931 -2.718 25762 5384 1 8 . 1 1 65 65 ALA HA H 65 4.260 4.260 4.224 0.036 25762 5385 1 8 . 1 1 65 65 ALA C C 65 178.028 178.028 178.349 -0.321 25762 5386 1 8 . 1 1 65 65 ALA CA C 65 53.400 53.400 54.250 -0.850 25762 5387 1 8 . 1 1 65 65 ALA CB C 65 19.372 19.372 19.452 -0.080 25762 5388 1 8 . 1 1 65 65 ALA H H 65 8.316 8.316 8.648 -0.332 25762 5389 1 8 . 1 1 66 66 GLU N N 66 117.489 117.489 115.807 1.682 25762 5390 1 8 . 1 1 66 66 GLU HA H 66 4.240 4.240 4.363 -0.123 25762 5391 1 8 . 1 1 66 66 GLU C C 66 175.127 175.127 175.418 -0.291 25762 5392 1 8 . 1 1 66 66 GLU CA C 66 57.205 57.205 55.682 1.523 25762 5393 1 8 . 1 1 66 66 GLU CB C 66 29.924 29.924 30.344 -0.420 25762 5394 1 8 . 1 1 66 66 GLU H H 66 8.697 8.697 8.467 0.230 25762 5395 1 8 . 1 1 67 67 CYS N N 67 119.305 119.305 116.912 2.393 25762 5396 1 8 . 1 1 67 67 CYS HA H 67 4.310 4.310 4.367 -0.057 25762 5397 1 8 . 1 1 67 67 CYS C C 67 172.436 172.436 174.794 -2.358 25762 5398 1 8 . 1 1 67 67 CYS CA C 67 53.300 53.300 58.264 -4.965 25762 5399 1 8 . 1 1 67 67 CYS CB C 67 41.122 41.122 27.984 13.138 25762 5400 1 8 . 1 1 67 67 CYS H H 67 7.758 7.758 7.701 0.057 25762 5401 1 8 . 1 1 68 68 LYS N N 68 123.248 123.248 121.178 2.070 25762 5402 1 8 . 1 1 68 68 LYS HA H 68 4.680 4.680 4.518 0.162 25762 5403 1 8 . 1 1 68 68 LYS C C 68 174.804 174.804 174.361 0.443 25762 5404 1 8 . 1 1 68 68 LYS CA C 68 54.009 54.009 55.165 -1.156 25762 5405 1 8 . 1 1 68 68 LYS CB C 68 33.651 33.651 34.980 -1.329 25762 5406 1 8 . 1 1 68 68 LYS H H 68 8.174 8.174 8.263 -0.089 25762 5407 1 8 . 1 1 69 69 TYR N N 69 122.635 122.635 122.696 -0.061 25762 5408 1 8 . 1 1 69 69 TYR HA H 69 4.410 4.410 5.398 -0.988 25762 5409 1 8 . 1 1 69 69 TYR C C 69 174.602 174.602 176.019 -1.417 25762 5410 1 8 . 1 1 69 69 TYR CA C 69 58.204 58.204 56.736 1.468 25762 5411 1 8 . 1 1 69 69 TYR CB C 69 42.100 42.100 40.410 1.690 25762 5412 1 8 . 1 1 69 69 TYR H H 69 8.769 8.769 8.620 0.149 25762 5413 1 8 . 1 1 70 70 GLN N N 70 120.984 120.984 123.518 -2.534 25762 5414 1 8 . 1 1 70 70 GLN HA H 70 4.590 4.590 4.757 -0.167 25762 5415 1 8 . 1 1 70 70 GLN C C 70 175.634 175.634 174.984 0.650 25762 5416 1 8 . 1 1 70 70 GLN CA C 70 54.108 54.108 54.264 -0.156 25762 5417 1 8 . 1 1 70 70 GLN CB C 70 29.900 29.900 31.943 -2.043 25762 5418 1 8 . 1 1 70 70 GLN H H 70 8.573 8.573 8.389 0.184 25762 5419 1 8 . 1 1 71 71 PHE N N 71 127.389 127.389 120.843 6.546 25762 5420 1 8 . 1 1 71 71 PHE HA H 71 4.970 4.970 5.643 -0.673 25762 5421 1 8 . 1 1 71 71 PHE C C 71 177.149 177.149 175.557 1.592 25762 5422 1 8 . 1 1 71 71 PHE CA C 71 58.976 58.976 55.899 3.077 25762 5423 1 8 . 1 1 71 71 PHE CB C 71 40.837 40.837 40.329 0.508 25762 5424 1 8 . 1 1 71 71 PHE H H 71 9.255 9.255 8.272 0.983 25762 5425 1 8 . 1 1 72 72 GLN N N 72 121.514 121.514 122.393 -0.879 25762 5426 1 8 . 1 1 72 72 GLN HA H 72 4.440 4.440 4.790 -0.350 25762 5427 1 8 . 1 1 72 72 GLN C C 72 176.721 176.721 174.114 2.607 25762 5428 1 8 . 1 1 72 72 GLN CA C 72 54.707 54.707 53.971 0.736 25762 5429 1 8 . 1 1 72 72 GLN CB C 72 29.983 29.983 32.419 -2.436 25762 5430 1 8 . 1 1 72 72 GLN H H 72 8.273 8.273 9.399 -1.126 25762 5431 1 8 . 1 1 73 73 ALA N N 73 122.414 122.414 125.098 -2.684 25762 5432 1 8 . 1 1 73 73 ALA HA H 73 4.220 4.220 4.628 -0.408 25762 5433 1 8 . 1 1 73 73 ALA C C 73 178.776 178.776 176.883 1.893 25762 5434 1 8 . 1 1 73 73 ALA CA C 73 52.751 52.751 51.236 1.515 25762 5435 1 8 . 1 1 73 73 ALA CB C 73 19.559 19.559 19.039 0.520 25762 5436 1 8 . 1 1 73 73 ALA H H 73 8.293 8.293 8.781 -0.488 25762 5437 1 8 . 1 1 74 74 TRP N N 74 120.412 120.412 124.694 -4.282 25762 5438 1 8 . 1 1 74 74 TRP HA H 74 4.260 4.260 4.784 -0.524 25762 5439 1 8 . 1 1 74 74 TRP C C 74 178.290 178.290 175.709 2.581 25762 5440 1 8 . 1 1 74 74 TRP CA C 74 58.982 58.982 56.089 2.893 25762 5441 1 8 . 1 1 74 74 TRP CB C 74 30.633 30.633 30.103 0.530 25762 5442 1 8 . 1 1 74 74 TRP H H 74 8.136 8.136 8.167 -0.031 25762 5443 1 8 . 1 1 75 75 GLY N N 75 109.881 109.881 110.007 -0.126 25762 5444 1 8 . 1 1 75 75 GLY C C 75 177.700 177.700 171.683 6.017 25762 5445 1 8 . 1 1 75 75 GLY CA C 75 44.287 44.287 45.267 -0.980 25762 5446 1 8 . 1 1 75 75 GLY H H 75 8.763 8.763 7.236 1.527 25762 5447 1 8 . 1 1 76 76 GLU N N 76 116.900 116.900 124.935 -8.035 25762 5448 1 8 . 1 1 76 76 GLU HA H 76 4.230 4.230 4.364 -0.134 25762 5449 1 8 . 1 1 76 76 GLU C C 76 177.770 177.770 176.065 1.705 25762 5450 1 8 . 1 1 76 76 GLU CA C 76 55.700 55.700 54.929 0.771 25762 5451 1 8 . 1 1 76 76 GLU CB C 76 30.600 30.600 30.705 -0.105 25762 5452 1 8 . 1 1 76 76 GLU H H 76 8.400 8.400 8.494 -0.094 25762 5453 1 8 . 1 1 77 77 CYS N N 77 121.846 121.846 124.425 -2.579 25762 5454 1 8 . 1 1 77 77 CYS HA H 77 4.150 4.150 4.151 -0.001 25762 5455 1 8 . 1 1 77 77 CYS C C 77 174.117 174.117 173.744 0.373 25762 5456 1 8 . 1 1 77 77 CYS CA C 77 56.706 56.706 59.069 -2.362 25762 5457 1 8 . 1 1 77 77 CYS CB C 77 41.056 41.056 26.629 14.427 25762 5458 1 8 . 1 1 77 77 CYS H H 77 8.980 8.980 8.943 0.037 25762 5459 1 8 . 1 1 78 78 ASP N N 78 131.728 131.728 126.272 5.456 25762 5460 1 8 . 1 1 78 78 ASP HA H 78 3.370 3.370 4.787 -1.417 25762 5461 1 8 . 1 1 78 78 ASP C C 78 176.890 176.890 176.766 0.124 25762 5462 1 8 . 1 1 78 78 ASP CA C 78 53.492 53.492 53.696 -0.204 25762 5463 1 8 . 1 1 78 78 ASP CB C 78 41.819 41.819 42.528 -0.709 25762 5464 1 8 . 1 1 78 78 ASP H H 78 8.279 8.279 8.681 -0.402 25762 5465 1 8 . 1 1 79 79 LEU N N 79 127.191 127.191 127.377 -0.186 25762 5466 1 8 . 1 1 79 79 LEU HA H 79 3.990 3.990 4.160 -0.170 25762 5467 1 8 . 1 1 79 79 LEU C C 79 178.627 178.627 178.112 0.515 25762 5468 1 8 . 1 1 79 79 LEU CA C 79 57.179 57.179 56.949 0.230 25762 5469 1 8 . 1 1 79 79 LEU CB C 79 41.642 41.642 41.715 -0.073 25762 5470 1 8 . 1 1 79 79 LEU H H 79 8.763 8.763 8.607 0.156 25762 5471 1 8 . 1 1 80 80 ASN N N 80 116.238 116.238 117.598 -1.360 25762 5472 1 8 . 1 1 80 80 ASN HA H 80 4.590 4.590 4.551 0.039 25762 5473 1 8 . 1 1 80 80 ASN C C 80 176.905 176.905 176.401 0.504 25762 5474 1 8 . 1 1 80 80 ASN CA C 80 55.800 55.800 55.519 0.281 25762 5475 1 8 . 1 1 80 80 ASN CB C 80 39.151 39.151 38.740 0.411 25762 5476 1 8 . 1 1 80 80 ASN H H 80 8.746 8.746 8.273 0.473 25762 5477 1 8 . 1 1 81 81 THR N N 81 108.459 108.459 113.881 -5.422 25762 5478 1 8 . 1 1 81 81 THR HA H 81 4.240 4.240 4.393 -0.153 25762 5479 1 8 . 1 1 81 81 THR C C 81 174.727 174.727 173.996 0.731 25762 5480 1 8 . 1 1 81 81 THR CA C 81 61.540 61.540 61.009 0.531 25762 5481 1 8 . 1 1 81 81 THR CB C 81 70.900 70.900 69.574 1.326 25762 5482 1 8 . 1 1 81 81 THR H H 81 7.666 7.666 7.974 -0.308 25762 5483 1 8 . 1 1 82 82 ALA N N 82 122.870 122.870 121.551 1.319 25762 5484 1 8 . 1 1 82 82 ALA HA H 82 3.820 3.820 4.039 -0.219 25762 5485 1 8 . 1 1 82 82 ALA C C 82 176.506 176.506 175.311 1.195 25762 5486 1 8 . 1 1 82 82 ALA CA C 82 53.603 53.603 53.487 0.116 25762 5487 1 8 . 1 1 82 82 ALA CB C 82 17.013 17.013 16.929 0.084 25762 5488 1 8 . 1 1 82 82 ALA H H 82 8.687 8.687 7.720 0.967 25762 5489 1 8 . 1 1 83 83 LEU N N 83 117.374 117.374 115.274 2.100 25762 5490 1 8 . 1 1 83 83 LEU HA H 83 5.031 5.031 5.003 0.028 25762 5491 1 8 . 1 1 83 83 LEU C C 83 177.616 177.616 175.286 2.330 25762 5492 1 8 . 1 1 83 83 LEU CA C 83 54.098 54.098 52.868 1.230 25762 5493 1 8 . 1 1 83 83 LEU CB C 83 46.622 46.622 46.255 0.367 25762 5494 1 8 . 1 1 83 83 LEU H H 83 7.353 7.353 7.464 -0.111 25762 5495 1 8 . 1 1 84 84 LYS N N 84 122.053 122.053 119.542 2.511 25762 5496 1 8 . 1 1 84 84 LYS HA H 84 4.940 4.940 4.594 0.346 25762 5497 1 8 . 1 1 84 84 LYS C C 84 175.449 175.449 174.967 0.482 25762 5498 1 8 . 1 1 84 84 LYS CA C 84 54.287 54.287 55.102 -0.815 25762 5499 1 8 . 1 1 84 84 LYS CB C 84 36.060 36.060 36.091 -0.031 25762 5500 1 8 . 1 1 84 84 LYS H H 84 9.043 9.043 8.959 0.084 25762 5501 1 8 . 1 1 85 85 THR N N 85 114.896 114.896 121.095 -6.199 25762 5502 1 8 . 1 1 85 85 THR HA H 85 5.820 5.820 5.211 0.609 25762 5503 1 8 . 1 1 85 85 THR C C 85 174.123 174.123 173.716 0.407 25762 5504 1 8 . 1 1 85 85 THR CA C 85 61.226 61.226 61.079 0.147 25762 5505 1 8 . 1 1 85 85 THR CB C 85 72.857 72.857 70.793 2.064 25762 5506 1 8 . 1 1 85 85 THR H H 85 9.011 9.011 7.991 1.020 25762 5507 1 8 . 1 1 86 86 ARG N N 86 123.804 123.804 122.933 0.871 25762 5508 1 8 . 1 1 86 86 ARG C C 86 173.792 173.792 174.560 -0.768 25762 5509 1 8 . 1 1 86 86 ARG CA C 86 56.720 56.720 55.097 1.623 25762 5510 1 8 . 1 1 86 86 ARG CB C 86 33.185 33.185 35.041 -1.856 25762 5511 1 8 . 1 1 86 86 ARG H H 86 9.056 9.056 9.059 -0.003 25762 5512 1 8 . 1 1 87 87 THR N N 87 117.796 117.796 118.715 -0.919 25762 5513 1 8 . 1 1 87 87 THR HA H 87 5.270 5.270 5.754 -0.484 25762 5514 1 8 . 1 1 87 87 THR C C 87 173.939 173.939 173.703 0.236 25762 5515 1 8 . 1 1 87 87 THR CA C 87 61.003 61.003 61.061 -0.058 25762 5516 1 8 . 1 1 87 87 THR CB C 87 71.091 71.091 71.990 -0.899 25762 5517 1 8 . 1 1 87 87 THR H H 87 8.387 8.387 8.218 0.169 25762 5518 1 8 . 1 1 88 88 GLY N N 88 112.501 112.501 110.675 1.826 25762 5519 1 8 . 1 1 88 88 GLY C C 88 171.645 171.645 171.994 -0.349 25762 5520 1 8 . 1 1 88 88 GLY CA C 88 44.657 44.657 44.168 0.489 25762 5521 1 8 . 1 1 88 88 GLY H H 88 9.074 9.074 9.063 0.011 25762 5522 1 8 . 1 1 89 89 SER N N 89 115.802 115.802 114.898 0.904 25762 5523 1 8 . 1 1 89 89 SER HA H 89 5.260 5.260 5.145 0.115 25762 5524 1 8 . 1 1 89 89 SER C C 89 174.767 174.767 173.914 0.853 25762 5525 1 8 . 1 1 89 89 SER CA C 89 56.512 56.512 57.376 -0.864 25762 5526 1 8 . 1 1 89 89 SER CB C 89 65.434 65.434 67.413 -1.979 25762 5527 1 8 . 1 1 89 89 SER H H 89 8.217 8.217 8.147 0.070 25762 5528 1 8 . 1 1 90 90 LEU N N 90 128.595 128.595 122.425 6.170 25762 5529 1 8 . 1 1 90 90 LEU HA H 90 3.420 3.420 5.208 -1.788 25762 5530 1 8 . 1 1 90 90 LEU C C 90 176.399 176.399 177.060 -0.661 25762 5531 1 8 . 1 1 90 90 LEU CA C 90 56.558 56.558 54.717 1.841 25762 5532 1 8 . 1 1 90 90 LEU CB C 90 43.006 43.006 41.190 1.816 25762 5533 1 8 . 1 1 90 90 LEU H H 90 8.555 8.555 8.448 0.107 25762 5534 1 8 . 1 1 91 91 LYS N N 91 128.646 128.646 125.329 3.317 25762 5535 1 8 . 1 1 91 91 LYS HA H 91 4.330 4.330 4.296 0.034 25762 5536 1 8 . 1 1 91 91 LYS C C 91 176.318 176.318 176.513 -0.195 25762 5537 1 8 . 1 1 91 91 LYS CA C 91 56.103 56.103 57.520 -1.417 25762 5538 1 8 . 1 1 91 91 LYS CB C 91 33.565 33.565 33.042 0.523 25762 5539 1 8 . 1 1 91 91 LYS H H 91 9.065 9.065 8.807 0.258 25762 5540 1 8 . 1 1 92 92 ARG N N 92 118.834 118.834 117.502 1.332 25762 5541 1 8 . 1 1 92 92 ARG HA H 92 4.220 4.220 4.536 -0.316 25762 5542 1 8 . 1 1 92 92 ARG C C 92 173.259 173.259 173.801 -0.542 25762 5543 1 8 . 1 1 92 92 ARG CA C 92 56.259 56.259 54.958 1.301 25762 5544 1 8 . 1 1 92 92 ARG CB C 92 32.623 32.623 32.035 0.588 25762 5545 1 8 . 1 1 92 92 ARG H H 92 7.641 7.641 7.590 0.051 25762 5546 1 8 . 1 1 93 93 ALA N N 93 127.574 127.574 124.712 2.862 25762 5547 1 8 . 1 1 93 93 ALA HA H 93 4.870 4.870 4.705 0.165 25762 5548 1 8 . 1 1 93 93 ALA C C 93 177.037 177.037 176.180 0.857 25762 5549 1 8 . 1 1 93 93 ALA CA C 93 50.949 50.949 50.592 0.357 25762 5550 1 8 . 1 1 93 93 ALA CB C 93 21.664 21.664 20.439 1.225 25762 5551 1 8 . 1 1 93 93 ALA H H 93 8.451 8.451 8.329 0.122 25762 5552 1 8 . 1 1 94 94 LEU N N 94 123.296 123.296 122.239 1.057 25762 5553 1 8 . 1 1 94 94 LEU HA H 94 4.250 4.250 4.315 -0.065 25762 5554 1 8 . 1 1 94 94 LEU C C 94 177.256 177.256 177.645 -0.389 25762 5555 1 8 . 1 1 94 94 LEU CA C 94 55.137 55.137 54.189 0.948 25762 5556 1 8 . 1 1 94 94 LEU CB C 94 42.697 42.697 43.304 -0.608 25762 5557 1 8 . 1 1 94 94 LEU H H 94 8.654 8.654 8.144 0.510 25762 5558 1 8 . 1 1 95 95 HIS N N 95 116.413 116.413 118.202 -1.789 25762 5559 1 8 . 1 1 95 95 HIS HA H 95 4.430 4.430 4.542 -0.112 25762 5560 1 8 . 1 1 95 95 HIS C C 95 174.801 174.801 175.318 -0.517 25762 5561 1 8 . 1 1 95 95 HIS CA C 95 56.400 56.400 57.605 -1.205 25762 5562 1 8 . 1 1 95 95 HIS CB C 95 28.218 28.218 30.172 -1.954 25762 5563 1 8 . 1 1 95 95 HIS H H 95 8.642 8.642 8.445 0.197 25762 5564 1 8 . 1 1 96 96 ASN N N 96 115.824 115.824 116.417 -0.593 25762 5565 1 8 . 1 1 96 96 ASN HA H 96 4.450 4.450 4.822 -0.372 25762 5566 1 8 . 1 1 96 96 ASN C C 96 175.026 175.026 174.047 0.979 25762 5567 1 8 . 1 1 96 96 ASN CA C 96 53.692 53.692 53.037 0.655 25762 5568 1 8 . 1 1 96 96 ASN CB C 96 38.056 38.056 37.569 0.487 25762 5569 1 8 . 1 1 96 96 ASN H H 96 8.461 8.461 8.267 0.194 25762 5570 1 8 . 1 1 97 97 ALA N N 97 122.558 122.558 122.198 0.360 25762 5571 1 8 . 1 1 97 97 ALA HA H 97 4.130 4.130 4.314 -0.184 25762 5572 1 8 . 1 1 97 97 ALA C C 97 177.337 177.337 175.200 2.137 25762 5573 1 8 . 1 1 97 97 ALA CA C 97 53.430 53.430 51.766 1.664 25762 5574 1 8 . 1 1 97 97 ALA CB C 97 20.204 20.204 20.545 -0.341 25762 5575 1 8 . 1 1 97 97 ALA H H 97 7.791 7.791 7.503 0.288 25762 5576 1 8 . 1 1 98 98 GLU N N 98 120.504 120.504 119.583 0.921 25762 5577 1 8 . 1 1 98 98 GLU HA H 98 4.320 4.320 4.610 -0.290 25762 5578 1 8 . 1 1 98 98 GLU C C 98 176.154 176.154 175.574 0.580 25762 5579 1 8 . 1 1 98 98 GLU CA C 98 56.630 56.630 55.415 1.215 25762 5580 1 8 . 1 1 98 98 GLU CB C 98 29.496 29.496 30.758 -1.262 25762 5581 1 8 . 1 1 98 98 GLU H H 98 8.478 8.478 8.494 -0.016 25762 5582 1 8 . 1 1 99 99 CYS N N 99 122.399 122.399 121.927 0.472 25762 5583 1 8 . 1 1 99 99 CYS HA H 99 4.820 4.820 4.682 0.138 25762 5584 1 8 . 1 1 99 99 CYS C C 99 174.711 174.711 174.698 0.013 25762 5585 1 8 . 1 1 99 99 CYS CA C 99 53.985 53.985 58.029 -4.043 25762 5586 1 8 . 1 1 99 99 CYS CB C 99 44.177 44.177 29.290 14.887 25762 5587 1 8 . 1 1 99 99 CYS H H 99 7.978 7.978 8.629 -0.651 25762 5588 1 8 . 1 1 100 100 GLN N N 100 123.539 123.539 124.362 -0.823 25762 5589 1 8 . 1 1 100 100 GLN HA H 100 4.300 4.300 4.422 -0.122 25762 5590 1 8 . 1 1 100 100 GLN C C 100 178.317 178.317 177.304 1.013 25762 5591 1 8 . 1 1 100 100 GLN CA C 100 56.157 56.157 56.018 0.139 25762 5592 1 8 . 1 1 100 100 GLN CB C 100 29.303 29.303 29.489 -0.187 25762 5593 1 8 . 1 1 100 100 GLN H H 100 8.864 8.864 9.117 -0.253 25762 5594 1 8 . 1 1 101 101 LYS N N 101 125.153 125.153 121.287 3.866 25762 5595 1 8 . 1 1 101 101 LYS HA H 101 4.020 4.020 4.212 -0.192 25762 5596 1 8 . 1 1 101 101 LYS C C 101 176.669 176.669 176.048 0.621 25762 5597 1 8 . 1 1 101 101 LYS CA C 101 59.876 59.876 57.728 2.148 25762 5598 1 8 . 1 1 101 101 LYS CB C 101 32.760 32.760 32.695 0.065 25762 5599 1 8 . 1 1 101 101 LYS H H 101 9.063 9.063 8.579 0.484 25762 5600 1 8 . 1 1 102 102 THR N N 102 111.208 111.208 111.996 -0.788 25762 5601 1 8 . 1 1 102 102 THR HA H 102 5.260 5.260 5.098 0.162 25762 5602 1 8 . 1 1 102 102 THR C C 102 173.097 173.097 173.066 0.031 25762 5603 1 8 . 1 1 102 102 THR CA C 102 59.922 59.922 61.090 -1.168 25762 5604 1 8 . 1 1 102 102 THR CB C 102 71.788 71.788 71.265 0.523 25762 5605 1 8 . 1 1 102 102 THR H H 102 7.706 7.706 7.215 0.491 25762 5606 1 8 . 1 1 103 103 VAL N N 103 117.395 117.395 121.656 -4.261 25762 5607 1 8 . 1 1 103 103 VAL HA H 103 4.510 4.510 4.657 -0.147 25762 5608 1 8 . 1 1 103 103 VAL C C 103 174.132 174.132 174.405 -0.273 25762 5609 1 8 . 1 1 103 103 VAL CA C 103 59.538 59.538 60.127 -0.590 25762 5610 1 8 . 1 1 103 103 VAL CB C 103 35.523 35.523 35.266 0.257 25762 5611 1 8 . 1 1 103 103 VAL H H 103 8.192 8.192 9.152 -0.960 25762 5612 1 8 . 1 1 104 104 THR N N 104 117.862 117.862 120.587 -2.725 25762 5613 1 8 . 1 1 104 104 THR HA H 104 5.098 5.098 5.542 -0.444 25762 5614 1 8 . 1 1 104 104 THR C C 104 173.646 173.646 174.010 -0.364 25762 5615 1 8 . 1 1 104 104 THR CA C 104 61.458 61.458 61.810 -0.352 25762 5616 1 8 . 1 1 104 104 THR CB C 104 71.177 71.177 70.730 0.448 25762 5617 1 8 . 1 1 104 104 THR H H 104 8.332 8.332 8.341 -0.009 25762 5618 1 8 . 1 1 105 105 ILE N N 105 124.431 124.431 122.401 2.030 25762 5619 1 8 . 1 1 105 105 ILE HA H 105 4.670 4.670 4.737 -0.067 25762 5620 1 8 . 1 1 105 105 ILE C C 105 174.296 174.296 173.875 0.421 25762 5621 1 8 . 1 1 105 105 ILE CA C 105 59.695 59.695 59.877 -0.182 25762 5622 1 8 . 1 1 105 105 ILE CB C 105 41.116 41.116 41.410 -0.294 25762 5623 1 8 . 1 1 105 105 ILE H H 105 8.868 8.868 9.160 -0.292 25762 5624 1 8 . 1 1 106 106 SER N N 106 118.430 118.430 119.397 -0.967 25762 5625 1 8 . 1 1 106 106 SER HA H 106 3.760 3.760 5.420 -1.660 25762 5626 1 8 . 1 1 106 106 SER C C 106 173.441 173.441 174.048 -0.607 25762 5627 1 8 . 1 1 106 106 SER CA C 106 56.877 56.877 56.330 0.547 25762 5628 1 8 . 1 1 106 106 SER CB C 106 67.115 67.115 65.298 1.817 25762 5629 1 8 . 1 1 106 106 SER H H 106 8.559 8.559 8.440 0.119 25762 5630 1 8 . 1 1 107 107 LYS N N 107 121.976 121.976 122.744 -0.768 25762 5631 1 8 . 1 1 107 107 LYS CA C 107 53.625 53.625 53.201 0.424 25762 5632 1 8 . 1 1 107 107 LYS CB C 107 35.515 35.515 34.611 0.904 25762 5633 1 8 . 1 1 107 107 LYS H H 107 9.060 9.060 8.854 0.206 25762 5634 1 8 . 1 1 108 108 PRO HA H 108 4.940 4.940 4.456 0.484 25762 5635 1 8 . 1 1 108 108 PRO C C 108 176.741 176.741 176.341 0.400 25762 5636 1 8 . 1 1 108 108 PRO CA C 108 62.870 62.870 63.355 -0.485 25762 5637 1 8 . 1 1 108 108 PRO CB C 108 32.590 32.590 31.379 1.211 25762 5638 1 8 . 1 1 109 109 CYS N N 109 118.313 118.313 123.492 -5.179 25762 5639 1 8 . 1 1 109 109 CYS HA H 109 4.501 4.501 4.610 -0.109 25762 5640 1 8 . 1 1 109 109 CYS C C 109 173.369 173.369 176.085 -2.716 25762 5641 1 8 . 1 1 109 109 CYS CA C 109 55.950 55.950 59.913 -3.963 25762 5642 1 8 . 1 1 109 109 CYS CB C 109 44.620 44.620 27.958 16.662 25762 5643 1 8 . 1 1 109 109 CYS H H 109 8.237 8.237 8.642 -0.405 25762 5644 1 8 . 1 1 110 110 GLY N N 110 108.677 108.677 107.739 0.938 25762 5645 1 8 . 1 1 110 110 GLY C C 110 173.455 173.455 172.779 0.676 25762 5646 1 8 . 1 1 110 110 GLY CA C 110 45.276 45.276 44.684 0.592 25762 5647 1 8 . 1 1 110 110 GLY H H 110 8.220 8.220 7.908 0.312 25762 5648 1 8 . 1 1 111 111 LYS N N 111 121.361 121.361 119.830 1.531 25762 5649 1 8 . 1 1 111 111 LYS HA H 111 4.270 4.270 4.006 0.264 25762 5650 1 8 . 1 1 111 111 LYS C C 111 176.597 176.597 175.329 1.268 25762 5651 1 8 . 1 1 111 111 LYS CA C 111 56.420 56.420 56.428 -0.008 25762 5652 1 8 . 1 1 111 111 LYS CB C 111 33.470 33.470 31.544 1.926 25762 5653 1 8 . 1 1 111 111 LYS H H 111 8.239 8.239 8.420 -0.181 25762 5654 1 8 . 1 1 112 112 LEU N N 112 123.971 123.971 122.616 1.355 25762 5655 1 8 . 1 1 112 112 LEU HA H 112 4.410 4.410 4.383 0.027 25762 5656 1 8 . 1 1 112 112 LEU C C 112 177.404 177.404 176.979 0.425 25762 5657 1 8 . 1 1 112 112 LEU CA C 112 55.150 55.150 54.674 0.476 25762 5658 1 8 . 1 1 112 112 LEU CB C 112 42.349 42.349 40.880 1.469 25762 5659 1 8 . 1 1 112 112 LEU H H 112 8.340 8.340 8.156 0.184 25762 5660 1 8 . 1 1 113 113 THR N N 113 116.653 116.653 115.420 1.233 25762 5661 1 8 . 1 1 113 113 THR HA H 113 4.310 4.310 4.562 -0.252 25762 5662 1 8 . 1 1 113 113 THR C C 113 174.082 174.082 174.060 0.022 25762 5663 1 8 . 1 1 113 113 THR CA C 113 61.676 61.676 60.813 0.863 25762 5664 1 8 . 1 1 113 113 THR CB C 113 69.090 69.090 70.620 -1.530 25762 5665 1 8 . 1 1 113 113 THR H H 113 8.150 8.150 7.905 0.245 25762 5666 1 8 . 1 1 114 114 LYS N N 114 125.770 125.770 119.574 6.196 25762 5667 1 8 . 1 1 114 114 LYS CA C 114 54.157 54.157 56.020 -1.863 25762 5668 1 8 . 1 1 114 114 LYS CB C 114 32.820 32.820 30.968 1.851 25762 5669 1 8 . 1 1 114 114 LYS H H 114 8.290 8.290 8.411 -0.121 25762 5670 1 8 . 1 1 115 115 PRO HA H 115 4.350 4.350 4.435 -0.085 25762 5671 1 8 . 1 1 115 115 PRO C C 115 176.679 176.679 176.889 -0.210 25762 5672 1 8 . 1 1 115 115 PRO CA C 115 62.960 62.960 62.465 0.495 25762 5673 1 8 . 1 1 115 115 PRO CB C 115 31.860 31.860 32.379 -0.519 25762 5674 1 8 . 1 1 116 116 LYS N N 116 123.818 123.818 118.962 4.856 25762 5675 1 8 . 1 1 116 116 LYS CA C 116 54.338 54.338 57.359 -3.021 25762 5676 1 8 . 1 1 116 116 LYS CB C 116 32.913 32.913 31.026 1.887 25762 5677 1 8 . 1 1 116 116 LYS H H 116 8.441 8.441 8.323 0.118 25762 5678 1 8 . 1 1 117 117 PRO HA H 117 4.403 4.403 4.438 -0.035 25762 5679 1 8 . 1 1 117 117 PRO C C 117 177.038 177.038 176.146 0.892 25762 5680 1 8 . 1 1 117 117 PRO CA C 117 63.360 63.360 63.038 0.322 25762 5681 1 8 . 1 1 117 117 PRO CB C 117 32.060 32.060 32.043 0.017 25762 5682 1 8 . 1 1 118 118 GLN N N 118 121.596 121.596 123.081 -1.485 25762 5683 1 8 . 1 1 118 118 GLN HA H 118 4.270 4.270 4.217 0.053 25762 5684 1 8 . 1 1 118 118 GLN C C 118 175.963 175.963 175.449 0.514 25762 5685 1 8 . 1 1 118 118 GLN CA C 118 55.916 55.916 55.625 0.291 25762 5686 1 8 . 1 1 118 118 GLN CB C 118 29.743 29.743 28.476 1.267 25762 5687 1 8 . 1 1 118 118 GLN H H 118 8.510 8.510 8.558 -0.048 25762 5688 1 8 . 1 1 119 119 ALA N N 119 126.073 126.073 123.624 2.449 25762 5689 1 8 . 1 1 119 119 ALA HA H 119 4.270 4.270 4.190 0.080 25762 5690 1 8 . 1 1 119 119 ALA C C 119 177.921 177.921 176.583 1.338 25762 5691 1 8 . 1 1 119 119 ALA CA C 119 52.765 52.765 52.028 0.737 25762 5692 1 8 . 1 1 119 119 ALA CB C 119 19.501 19.501 18.256 1.245 25762 5693 1 8 . 1 1 119 119 ALA H H 119 8.389 8.389 7.877 0.512 25762 5694 1 8 . 1 1 120 120 GLU N N 120 121.107 121.107 123.600 -2.493 25762 5695 1 8 . 1 1 120 120 GLU HA H 120 4.260 4.260 4.261 -0.001 25762 5696 1 8 . 1 1 120 120 GLU C C 120 176.819 176.819 176.279 0.540 25762 5697 1 8 . 1 1 120 120 GLU CA C 120 56.680 56.680 56.277 0.403 25762 5698 1 8 . 1 1 120 120 GLU CB C 120 30.482 30.482 29.508 0.974 25762 5699 1 8 . 1 1 120 120 GLU H H 120 8.441 8.441 8.712 -0.271 25762 5700 1 8 . 1 1 121 121 SER N N 121 117.791 117.791 120.844 -3.053 25762 5701 1 8 . 1 1 121 121 SER HA H 121 4.410 4.410 4.565 -0.155 25762 5702 1 8 . 1 1 121 121 SER C C 121 174.892 174.892 174.731 0.161 25762 5703 1 8 . 1 1 121 121 SER CA C 121 58.548 58.548 58.193 0.355 25762 5704 1 8 . 1 1 121 121 SER CB C 121 63.668 63.668 63.584 0.083 25762 5705 1 8 . 1 1 121 121 SER H H 121 8.379 8.379 8.143 0.236 25762 5706 1 8 . 1 1 122 122 LYS N N 122 123.955 123.955 122.376 1.579 25762 5707 1 8 . 1 1 122 122 LYS CA C 122 56.474 56.474 56.432 0.042 25762 5708 1 8 . 1 1 122 122 LYS CB C 122 33.335 33.335 33.388 -0.053 25762 5709 1 8 . 1 1 122 122 LYS H H 122 8.329 8.329 7.940 0.389 25762 5710 1 8 . 1 1 125 125 LYS HA H 125 4.310 4.310 3.942 0.368 25762 5711 1 8 . 1 1 125 125 LYS C C 125 176.721 176.721 174.900 1.821 25762 5712 1 8 . 1 1 125 125 LYS CA C 125 56.580 56.580 56.939 -0.359 25762 5713 1 8 . 1 1 125 125 LYS CB C 125 32.810 32.810 30.971 1.839 25762 5714 1 8 . 1 1 126 126 LYS N N 126 122.569 122.569 115.492 7.077 25762 5715 1 8 . 1 1 126 126 LYS HA H 126 4.320 4.320 4.012 0.308 25762 5716 1 8 . 1 1 126 126 LYS C C 126 176.512 176.512 175.792 0.720 25762 5717 1 8 . 1 1 126 126 LYS CA C 126 56.440 56.440 57.296 -0.856 25762 5718 1 8 . 1 1 126 126 LYS CB C 126 33.057 33.057 32.336 0.721 25762 5719 1 8 . 1 1 126 126 LYS H H 126 8.169 8.169 7.849 0.320 25762 5720 1 8 . 1 1 127 127 GLU N N 127 123.450 123.450 120.439 3.011 25762 5721 1 8 . 1 1 127 127 GLU HA H 127 4.310 4.310 4.307 0.003 25762 5722 1 8 . 1 1 127 127 GLU C C 127 176.800 176.800 176.889 -0.089 25762 5723 1 8 . 1 1 127 127 GLU CA C 127 56.474 56.474 56.413 0.061 25762 5724 1 8 . 1 1 127 127 GLU CB C 127 30.620 30.620 28.392 2.228 25762 5725 1 8 . 1 1 127 127 GLU H H 127 8.459 8.459 8.596 -0.137 25762 5726 1 8 . 1 1 128 128 GLY N N 128 110.800 110.800 113.451 -2.651 25762 5727 1 8 . 1 1 128 128 GLY CA C 128 45.300 45.300 45.926 -0.626 25762 5728 1 8 . 1 1 128 128 GLY H H 128 8.440 8.440 8.575 -0.135 25762 5729 1 8 . 1 1 129 129 LYS HA H 129 4.270 4.270 4.544 -0.274 25762 5730 1 8 . 1 1 129 129 LYS C C 129 176.516 176.516 175.491 1.025 25762 5731 1 8 . 1 1 129 129 LYS CA C 129 56.480 56.480 55.275 1.205 25762 5732 1 8 . 1 1 129 129 LYS CB C 129 32.860 32.860 33.750 -0.890 25762 5733 1 8 . 1 1 130 130 LYS N N 130 124.071 124.071 123.691 0.380 25762 5734 1 8 . 1 1 130 130 LYS HA H 130 4.270 4.270 4.439 -0.169 25762 5735 1 8 . 1 1 130 130 LYS C C 130 176.545 176.545 175.593 0.952 25762 5736 1 8 . 1 1 130 130 LYS CA C 130 56.495 56.495 56.188 0.307 25762 5737 1 8 . 1 1 130 130 LYS CB C 130 33.020 33.020 33.101 -0.081 25762 5738 1 8 . 1 1 130 130 LYS H H 130 8.409 8.409 8.514 -0.105 25762 5739 1 8 . 1 1 131 131 GLN N N 131 122.710 122.710 126.008 -3.298 25762 5740 1 8 . 1 1 131 131 GLN HA H 131 4.440 4.440 4.383 0.057 25762 5741 1 8 . 1 1 131 131 GLN C C 131 175.866 175.866 175.975 -0.109 25762 5742 1 8 . 1 1 131 131 GLN CA C 131 56.016 56.016 55.580 0.436 25762 5743 1 8 . 1 1 131 131 GLN CB C 131 29.663 29.663 29.552 0.111 25762 5744 1 8 . 1 1 131 131 GLN H H 131 8.467 8.467 8.762 -0.295 25762 5745 1 8 . 1 1 132 132 GLU N N 132 123.586 123.586 123.658 -0.072 25762 5746 1 8 . 1 1 132 132 GLU HA H 132 4.250 4.250 3.993 0.257 25762 5747 1 8 . 1 1 132 132 GLU C C 132 176.354 176.354 175.359 0.995 25762 5748 1 8 . 1 1 132 132 GLU CA C 132 56.537 56.537 57.166 -0.629 25762 5749 1 8 . 1 1 132 132 GLU CB C 132 30.614 30.614 28.191 2.423 25762 5750 1 8 . 1 1 132 132 GLU H H 132 8.490 8.490 8.731 -0.241 25762 5751 1 8 . 1 1 133 133 LYS N N 133 123.918 123.918 114.566 9.352 25762 5752 1 8 . 1 1 133 133 LYS HA H 133 4.280 4.280 3.922 0.358 25762 5753 1 8 . 1 1 133 133 LYS C C 133 176.232 176.232 175.975 0.257 25762 5754 1 8 . 1 1 133 133 LYS CA C 133 56.311 56.311 57.019 -0.708 25762 5755 1 8 . 1 1 133 133 LYS CB C 133 33.137 33.137 32.121 1.016 25762 5756 1 8 . 1 1 133 133 LYS H H 133 8.373 8.373 7.806 0.567 25762 5757 1 8 . 1 1 134 134 MET N N 134 122.994 122.994 120.954 2.040 25762 5758 1 8 . 1 1 134 134 MET HA H 134 4.480 4.480 4.378 0.102 25762 5759 1 8 . 1 1 134 134 MET C C 134 175.946 175.946 176.044 -0.098 25762 5760 1 8 . 1 1 134 134 MET CA C 134 55.563 55.563 55.636 -0.073 25762 5761 1 8 . 1 1 134 134 MET CB C 134 32.010 32.010 31.512 0.498 25762 5762 1 8 . 1 1 134 134 MET H H 134 8.436 8.436 8.485 -0.049 25762 5763 1 8 . 1 1 135 135 LEU N N 135 124.454 124.454 123.992 0.462 25762 5764 1 8 . 1 1 135 135 LEU HA H 135 4.380 4.380 4.753 -0.373 25762 5765 1 8 . 1 1 135 135 LEU C C 135 176.158 176.158 177.051 -0.893 25762 5766 1 8 . 1 1 135 135 LEU CA C 135 55.225 55.225 54.244 0.981 25762 5767 1 8 . 1 1 135 135 LEU CB C 135 42.654 42.654 43.806 -1.152 25762 5768 1 8 . 1 1 135 135 LEU H H 135 8.285 8.285 8.115 0.170 25762 5769 1 9 . 1 1 2 2 LYS N N 2 121.740 121.740 120.372 1.368 25762 5770 1 9 . 1 1 2 2 LYS CA C 2 56.298 56.298 55.985 0.313 25762 5771 1 9 . 1 1 2 2 LYS CB C 2 33.384 33.384 32.757 0.627 25762 5772 1 9 . 1 1 2 2 LYS H H 2 8.229 8.229 8.157 0.072 25762 5773 1 9 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.602 -0.202 25762 5774 1 9 . 1 1 6 6 PRO C C 6 176.964 176.964 177.190 -0.226 25762 5775 1 9 . 1 1 6 6 PRO CA C 6 63.200 63.200 62.721 0.479 25762 5776 1 9 . 1 1 6 6 PRO CB C 6 32.100 32.100 32.574 -0.474 25762 5777 1 9 . 1 1 7 7 GLU N N 7 122.285 122.285 120.057 2.228 25762 5778 1 9 . 1 1 7 7 GLU HA H 7 4.260 4.260 4.393 -0.133 25762 5779 1 9 . 1 1 7 7 GLU C C 7 176.226 176.226 175.212 1.014 25762 5780 1 9 . 1 1 7 7 GLU CA C 7 56.493 56.493 56.059 0.434 25762 5781 1 9 . 1 1 7 7 GLU CB C 7 30.610 30.610 27.939 2.671 25762 5782 1 9 . 1 1 7 7 GLU H H 7 8.551 8.551 8.559 -0.008 25762 5783 1 9 . 1 1 8 8 LYS N N 8 122.572 122.572 117.985 4.587 25762 5784 1 9 . 1 1 8 8 LYS HA H 8 4.310 4.310 3.945 0.365 25762 5785 1 9 . 1 1 8 8 LYS C C 8 176.541 176.541 175.788 0.753 25762 5786 1 9 . 1 1 8 8 LYS CA C 8 56.440 56.440 57.032 -0.592 25762 5787 1 9 . 1 1 8 8 LYS CB C 8 33.195 33.195 31.115 2.080 25762 5788 1 9 . 1 1 8 8 LYS H H 8 8.346 8.346 7.923 0.423 25762 5789 1 9 . 1 1 9 9 LYS N N 9 123.843 123.843 120.398 3.445 25762 5790 1 9 . 1 1 9 9 LYS HA H 9 4.330 4.330 4.107 0.223 25762 5791 1 9 . 1 1 9 9 LYS C C 9 176.390 176.390 176.429 -0.039 25762 5792 1 9 . 1 1 9 9 LYS CA C 9 56.537 56.537 56.635 -0.098 25762 5793 1 9 . 1 1 9 9 LYS CB C 9 33.160 33.160 32.811 0.349 25762 5794 1 9 . 1 1 9 9 LYS H H 9 8.505 8.505 7.757 0.748 25762 5795 1 9 . 1 1 10 10 VAL N N 10 123.043 123.043 123.066 -0.023 25762 5796 1 9 . 1 1 10 10 VAL HA H 10 4.080 4.080 4.262 -0.182 25762 5797 1 9 . 1 1 10 10 VAL C C 10 175.887 175.887 175.780 0.107 25762 5798 1 9 . 1 1 10 10 VAL CA C 10 62.159 62.159 61.161 0.998 25762 5799 1 9 . 1 1 10 10 VAL CB C 10 33.080 33.080 34.208 -1.128 25762 5800 1 9 . 1 1 10 10 VAL H H 10 8.206 8.206 8.301 -0.095 25762 5801 1 9 . 1 1 11 11 LYS N N 11 126.952 126.952 124.716 2.236 25762 5802 1 9 . 1 1 11 11 LYS HA H 11 4.320 4.320 4.380 -0.060 25762 5803 1 9 . 1 1 11 11 LYS C C 11 176.257 176.257 175.896 0.361 25762 5804 1 9 . 1 1 11 11 LYS CA C 11 56.085 56.085 56.354 -0.269 25762 5805 1 9 . 1 1 11 11 LYS CB C 11 33.320 33.320 33.078 0.242 25762 5806 1 9 . 1 1 11 11 LYS H H 11 8.433 8.433 8.383 0.050 25762 5807 1 9 . 1 1 12 12 LYS N N 12 125.023 125.023 121.541 3.482 25762 5808 1 9 . 1 1 12 12 LYS HA H 12 4.260 4.260 4.259 0.001 25762 5809 1 9 . 1 1 12 12 LYS C C 12 176.306 176.306 176.605 -0.299 25762 5810 1 9 . 1 1 12 12 LYS CA C 12 56.605 56.605 55.936 0.669 25762 5811 1 9 . 1 1 12 12 LYS CB C 12 33.443 33.443 32.959 0.484 25762 5812 1 9 . 1 1 12 12 LYS H H 12 8.446 8.446 8.327 0.119 25762 5813 1 9 . 1 1 13 13 SER N N 13 117.836 117.836 116.484 1.352 25762 5814 1 9 . 1 1 13 13 SER HA H 13 4.460 4.460 4.284 0.176 25762 5815 1 9 . 1 1 13 13 SER C C 13 174.456 174.456 173.790 0.666 25762 5816 1 9 . 1 1 13 13 SER CA C 13 57.950 57.950 58.630 -0.680 25762 5817 1 9 . 1 1 13 13 SER CB C 13 64.048 64.048 61.980 2.068 25762 5818 1 9 . 1 1 13 13 SER H H 13 8.353 8.353 8.441 -0.088 25762 5819 1 9 . 1 1 14 14 ASP N N 14 124.256 124.256 122.720 1.536 25762 5820 1 9 . 1 1 14 14 ASP HA H 14 4.570 4.570 4.821 -0.251 25762 5821 1 9 . 1 1 14 14 ASP C C 14 175.559 175.559 175.844 -0.285 25762 5822 1 9 . 1 1 14 14 ASP CA C 14 54.045 54.045 52.727 1.317 25762 5823 1 9 . 1 1 14 14 ASP CB C 14 41.037 41.037 43.453 -2.416 25762 5824 1 9 . 1 1 14 14 ASP H H 14 8.479 8.479 7.870 0.609 25762 5825 1 9 . 1 1 15 15 CYS N N 15 117.954 117.954 115.693 2.261 25762 5826 1 9 . 1 1 15 15 CYS HA H 15 4.650 4.650 5.030 -0.380 25762 5827 1 9 . 1 1 15 15 CYS C C 15 175.354 175.354 174.941 0.413 25762 5828 1 9 . 1 1 15 15 CYS CA C 15 55.413 55.413 57.202 -1.789 25762 5829 1 9 . 1 1 15 15 CYS CB C 15 43.497 43.497 27.718 15.779 25762 5830 1 9 . 1 1 15 15 CYS H H 15 7.901 7.901 8.479 -0.578 25762 5831 1 9 . 1 1 16 16 GLY N N 16 112.694 112.694 109.155 3.539 25762 5832 1 9 . 1 1 16 16 GLY C C 16 172.300 172.300 171.582 0.718 25762 5833 1 9 . 1 1 16 16 GLY CA C 16 44.224 44.224 45.377 -1.153 25762 5834 1 9 . 1 1 16 16 GLY H H 16 8.447 8.447 8.099 0.348 25762 5835 1 9 . 1 1 17 17 GLU N N 17 118.500 118.500 122.552 -4.052 25762 5836 1 9 . 1 1 17 17 GLU HA H 17 4.090 4.090 4.234 -0.144 25762 5837 1 9 . 1 1 17 17 GLU C C 17 177.571 177.571 176.112 1.459 25762 5838 1 9 . 1 1 17 17 GLU CA C 17 55.900 55.900 54.111 1.789 25762 5839 1 9 . 1 1 17 17 GLU CB C 17 30.500 30.500 32.538 -2.038 25762 5840 1 9 . 1 1 17 17 GLU H H 17 8.250 8.250 8.299 -0.049 25762 5841 1 9 . 1 1 18 18 TRP N N 18 122.718 122.718 121.076 1.642 25762 5842 1 9 . 1 1 18 18 TRP HA H 18 4.040 4.040 4.286 -0.246 25762 5843 1 9 . 1 1 18 18 TRP C C 18 176.310 176.310 176.477 -0.167 25762 5844 1 9 . 1 1 18 18 TRP CA C 18 58.515 58.515 57.720 0.795 25762 5845 1 9 . 1 1 18 18 TRP CB C 18 30.365 30.365 28.955 1.410 25762 5846 1 9 . 1 1 18 18 TRP H H 18 8.319 8.319 8.327 -0.008 25762 5847 1 9 . 1 1 19 19 GLN N N 19 123.305 123.305 122.687 0.618 25762 5848 1 9 . 1 1 19 19 GLN HA H 19 4.530 4.530 4.457 0.073 25762 5849 1 9 . 1 1 19 19 GLN C C 19 175.571 175.571 174.879 0.692 25762 5850 1 9 . 1 1 19 19 GLN CA C 19 54.186 54.186 54.538 -0.352 25762 5851 1 9 . 1 1 19 19 GLN CB C 19 29.897 29.897 30.100 -0.203 25762 5852 1 9 . 1 1 19 19 GLN H H 19 9.140 9.140 8.102 1.038 25762 5853 1 9 . 1 1 20 20 TRP N N 20 125.311 125.311 126.615 -1.304 25762 5854 1 9 . 1 1 20 20 TRP HA H 20 5.290 5.290 5.009 0.281 25762 5855 1 9 . 1 1 20 20 TRP C C 20 177.596 177.596 176.835 0.761 25762 5856 1 9 . 1 1 20 20 TRP CA C 20 56.651 56.651 56.359 0.292 25762 5857 1 9 . 1 1 20 20 TRP CB C 20 32.720 32.720 30.960 1.760 25762 5858 1 9 . 1 1 20 20 TRP H H 20 8.783 8.783 8.652 0.131 25762 5859 1 9 . 1 1 21 21 SER N N 21 120.041 120.041 117.291 2.750 25762 5860 1 9 . 1 1 21 21 SER HA H 21 4.440 4.440 4.957 -0.517 25762 5861 1 9 . 1 1 21 21 SER C C 21 173.795 173.795 173.768 0.027 25762 5862 1 9 . 1 1 21 21 SER CA C 21 57.292 57.292 57.381 -0.089 25762 5863 1 9 . 1 1 21 21 SER CB C 21 65.435 65.435 64.000 1.435 25762 5864 1 9 . 1 1 21 21 SER H H 21 9.173 9.173 9.023 0.150 25762 5865 1 9 . 1 1 22 22 VAL N N 22 115.336 115.336 118.281 -2.945 25762 5866 1 9 . 1 1 22 22 VAL HA H 22 4.130 4.130 4.323 -0.193 25762 5867 1 9 . 1 1 22 22 VAL C C 22 175.183 175.183 175.221 -0.038 25762 5868 1 9 . 1 1 22 22 VAL CA C 22 62.008 62.008 61.116 0.892 25762 5869 1 9 . 1 1 22 22 VAL CB C 22 32.859 32.859 33.263 -0.404 25762 5870 1 9 . 1 1 22 22 VAL H H 22 8.099 8.099 8.280 -0.181 25762 5871 1 9 . 1 1 23 23 CYS N N 23 122.154 122.154 124.170 -2.016 25762 5872 1 9 . 1 1 23 23 CYS HA H 23 4.330 4.330 4.327 0.003 25762 5873 1 9 . 1 1 23 23 CYS C C 23 173.335 173.335 175.220 -1.885 25762 5874 1 9 . 1 1 23 23 CYS CA C 23 56.598 56.598 58.948 -2.350 25762 5875 1 9 . 1 1 23 23 CYS CB C 23 42.166 42.166 25.664 16.502 25762 5876 1 9 . 1 1 23 23 CYS H H 23 8.433 8.433 8.431 0.002 25762 5877 1 9 . 1 1 24 24 VAL N N 24 133.008 133.008 126.877 6.131 25762 5878 1 9 . 1 1 24 24 VAL HA H 24 4.260 4.260 4.630 -0.370 25762 5879 1 9 . 1 1 24 24 VAL CA C 24 59.409 59.409 58.261 1.148 25762 5880 1 9 . 1 1 24 24 VAL CB C 24 33.572 33.572 33.183 0.389 25762 5881 1 9 . 1 1 24 24 VAL H H 24 8.790 8.790 8.306 0.484 25762 5882 1 9 . 1 1 25 25 PRO HA H 25 4.380 4.380 4.567 -0.187 25762 5883 1 9 . 1 1 25 25 PRO C C 25 176.853 176.853 176.648 0.205 25762 5884 1 9 . 1 1 25 25 PRO CA C 25 62.700 62.700 63.032 -0.332 25762 5885 1 9 . 1 1 25 25 PRO CB C 25 31.600 31.600 32.072 -0.471 25762 5886 1 9 . 1 1 26 26 THR N N 26 121.729 121.729 119.409 2.320 25762 5887 1 9 . 1 1 26 26 THR HA H 26 3.970 3.970 4.198 -0.228 25762 5888 1 9 . 1 1 26 26 THR C C 26 174.891 174.891 175.051 -0.160 25762 5889 1 9 . 1 1 26 26 THR CA C 26 65.598 65.598 64.417 1.181 25762 5890 1 9 . 1 1 26 26 THR CB C 26 69.136 69.136 69.474 -0.338 25762 5891 1 9 . 1 1 26 26 THR H H 26 9.199 9.199 8.869 0.330 25762 5892 1 9 . 1 1 27 27 SER N N 27 115.495 115.495 114.521 0.974 25762 5893 1 9 . 1 1 27 27 SER HA H 27 4.590 4.590 4.668 -0.078 25762 5894 1 9 . 1 1 27 27 SER C C 27 173.700 173.700 174.158 -0.458 25762 5895 1 9 . 1 1 27 27 SER CA C 27 57.326 57.326 58.093 -0.767 25762 5896 1 9 . 1 1 27 27 SER CB C 27 64.749 64.749 64.373 0.376 25762 5897 1 9 . 1 1 27 27 SER H H 27 8.676 8.676 7.499 1.177 25762 5898 1 9 . 1 1 28 28 GLY N N 28 111.492 111.492 113.305 -1.813 25762 5899 1 9 . 1 1 28 28 GLY C C 28 173.803 173.803 175.353 -1.550 25762 5900 1 9 . 1 1 28 28 GLY CA C 28 45.965 45.965 46.705 -0.740 25762 5901 1 9 . 1 1 28 28 GLY H H 28 8.482 8.482 8.804 -0.322 25762 5902 1 9 . 1 1 29 29 ASP N N 29 118.893 118.893 121.360 -2.467 25762 5903 1 9 . 1 1 29 29 ASP HA H 29 4.750 4.750 4.675 0.075 25762 5904 1 9 . 1 1 29 29 ASP C C 29 175.806 175.806 175.589 0.217 25762 5905 1 9 . 1 1 29 29 ASP CA C 29 53.476 53.476 53.489 -0.013 25762 5906 1 9 . 1 1 29 29 ASP CB C 29 42.140 42.140 39.302 2.838 25762 5907 1 9 . 1 1 29 29 ASP H H 29 8.412 8.412 8.124 0.288 25762 5908 1 9 . 1 1 30 30 CYS N N 30 113.937 113.937 119.388 -5.451 25762 5909 1 9 . 1 1 30 30 CYS HA H 30 3.840 3.840 4.115 -0.275 25762 5910 1 9 . 1 1 30 30 CYS C C 30 170.767 170.767 173.631 -2.864 25762 5911 1 9 . 1 1 30 30 CYS CA C 30 56.060 56.060 59.678 -3.618 25762 5912 1 9 . 1 1 30 30 CYS CB C 30 47.900 47.900 26.712 21.188 25762 5913 1 9 . 1 1 30 30 CYS H H 30 7.983 7.983 8.147 -0.164 25762 5914 1 9 . 1 1 31 31 GLY N N 31 110.972 110.972 112.768 -1.796 25762 5915 1 9 . 1 1 31 31 GLY C C 31 173.804 173.804 172.860 0.944 25762 5916 1 9 . 1 1 31 31 GLY CA C 31 44.043 44.043 44.743 -0.700 25762 5917 1 9 . 1 1 31 31 GLY H H 31 9.376 9.376 8.131 1.245 25762 5918 1 9 . 1 1 32 32 LEU N N 32 123.077 123.077 121.158 1.919 25762 5919 1 9 . 1 1 32 32 LEU HA H 32 4.440 4.440 4.090 0.350 25762 5920 1 9 . 1 1 32 32 LEU C C 32 177.802 177.802 177.257 0.545 25762 5921 1 9 . 1 1 32 32 LEU CA C 32 55.904 55.904 55.608 0.295 25762 5922 1 9 . 1 1 32 32 LEU CB C 32 42.825 42.825 41.990 0.835 25762 5923 1 9 . 1 1 32 32 LEU H H 32 8.493 8.493 8.447 0.046 25762 5924 1 9 . 1 1 33 33 GLY N N 33 110.436 110.436 106.755 3.681 25762 5925 1 9 . 1 1 33 33 GLY C C 33 174.279 174.279 172.464 1.815 25762 5926 1 9 . 1 1 33 33 GLY CA C 33 45.930 45.930 44.544 1.386 25762 5927 1 9 . 1 1 33 33 GLY H H 33 8.658 8.658 8.531 0.127 25762 5928 1 9 . 1 1 34 34 THR N N 34 113.118 113.118 111.554 1.564 25762 5929 1 9 . 1 1 34 34 THR HA H 34 5.166 5.166 5.237 -0.071 25762 5930 1 9 . 1 1 34 34 THR C C 34 173.246 173.246 173.754 -0.508 25762 5931 1 9 . 1 1 34 34 THR CA C 34 60.776 60.776 60.301 0.475 25762 5932 1 9 . 1 1 34 34 THR CB C 34 72.892 72.892 72.267 0.625 25762 5933 1 9 . 1 1 34 34 THR H H 34 8.040 8.040 8.445 -0.405 25762 5934 1 9 . 1 1 35 35 ARG N N 35 120.371 120.371 120.971 -0.600 25762 5935 1 9 . 1 1 35 35 ARG HA H 35 4.980 4.980 4.880 0.100 25762 5936 1 9 . 1 1 35 35 ARG C C 35 173.802 173.802 174.080 -0.278 25762 5937 1 9 . 1 1 35 35 ARG CA C 35 54.100 54.100 55.271 -1.171 25762 5938 1 9 . 1 1 35 35 ARG CB C 35 33.790 33.790 35.169 -1.379 25762 5939 1 9 . 1 1 35 35 ARG H H 35 9.104 9.104 8.947 0.157 25762 5940 1 9 . 1 1 36 36 GLU N N 36 122.259 122.259 122.935 -0.676 25762 5941 1 9 . 1 1 36 36 GLU HA H 36 5.160 5.160 4.792 0.368 25762 5942 1 9 . 1 1 36 36 GLU C C 36 175.960 175.960 174.972 0.988 25762 5943 1 9 . 1 1 36 36 GLU CA C 36 55.209 55.209 54.856 0.353 25762 5944 1 9 . 1 1 36 36 GLU CB C 36 32.652 32.652 32.237 0.415 25762 5945 1 9 . 1 1 36 36 GLU H H 36 8.750 8.750 8.695 0.055 25762 5946 1 9 . 1 1 37 37 GLY N N 37 116.895 116.895 111.170 5.725 25762 5947 1 9 . 1 1 37 37 GLY C C 37 173.097 173.097 172.905 0.192 25762 5948 1 9 . 1 1 37 37 GLY CA C 37 44.195 44.195 44.359 -0.164 25762 5949 1 9 . 1 1 37 37 GLY H H 37 9.479 9.479 9.106 0.373 25762 5950 1 9 . 1 1 38 38 THR N N 38 114.848 114.848 115.706 -0.858 25762 5951 1 9 . 1 1 38 38 THR HA H 38 5.540 5.540 5.273 0.267 25762 5952 1 9 . 1 1 38 38 THR C C 38 173.004 173.004 173.028 -0.024 25762 5953 1 9 . 1 1 38 38 THR CA C 38 59.751 59.751 60.266 -0.515 25762 5954 1 9 . 1 1 38 38 THR CB C 38 72.666 72.666 72.014 0.652 25762 5955 1 9 . 1 1 38 38 THR H H 38 8.485 8.485 7.788 0.697 25762 5956 1 9 . 1 1 39 39 ARG N N 39 119.072 119.072 120.065 -0.993 25762 5957 1 9 . 1 1 39 39 ARG HA H 39 4.640 4.640 4.380 0.260 25762 5958 1 9 . 1 1 39 39 ARG C C 39 174.649 174.649 173.579 1.070 25762 5959 1 9 . 1 1 39 39 ARG CA C 39 54.587 54.587 55.075 -0.488 25762 5960 1 9 . 1 1 39 39 ARG CB C 39 33.285 33.285 32.941 0.344 25762 5961 1 9 . 1 1 39 39 ARG H H 39 8.231 8.231 8.906 -0.675 25762 5962 1 9 . 1 1 40 40 THR N N 40 111.009 111.009 111.250 -0.241 25762 5963 1 9 . 1 1 40 40 THR HA H 40 4.440 4.440 4.623 -0.183 25762 5964 1 9 . 1 1 40 40 THR C C 40 173.890 173.890 174.309 -0.419 25762 5965 1 9 . 1 1 40 40 THR CA C 40 60.431 60.431 59.665 0.766 25762 5966 1 9 . 1 1 40 40 THR CB C 40 71.163 71.163 71.762 -0.599 25762 5967 1 9 . 1 1 40 40 THR H H 40 8.097 8.097 7.707 0.390 25762 5968 1 9 . 1 1 41 41 GLY N N 41 110.094 110.094 107.581 2.513 25762 5969 1 9 . 1 1 41 41 GLY C C 41 174.489 174.489 174.798 -0.309 25762 5970 1 9 . 1 1 41 41 GLY CA C 41 45.487 45.487 43.862 1.625 25762 5971 1 9 . 1 1 41 41 GLY H H 41 8.146 8.146 8.158 -0.012 25762 5972 1 9 . 1 1 42 42 ALA N N 42 130.030 130.030 121.283 8.747 25762 5973 1 9 . 1 1 42 42 ALA HA H 42 4.150 4.150 4.336 -0.186 25762 5974 1 9 . 1 1 42 42 ALA C C 42 179.063 179.063 178.794 0.269 25762 5975 1 9 . 1 1 42 42 ALA CA C 42 54.737 54.737 53.932 0.805 25762 5976 1 9 . 1 1 42 42 ALA CB C 42 19.258 19.258 18.831 0.427 25762 5977 1 9 . 1 1 42 42 ALA H H 42 8.844 8.844 8.402 0.442 25762 5978 1 9 . 1 1 43 43 GLU N N 43 116.721 116.721 116.985 -0.264 25762 5979 1 9 . 1 1 43 43 GLU HA H 43 4.350 4.350 4.311 0.039 25762 5980 1 9 . 1 1 43 43 GLU C C 43 175.825 175.825 175.284 0.541 25762 5981 1 9 . 1 1 43 43 GLU CA C 43 54.964 54.964 55.729 -0.765 25762 5982 1 9 . 1 1 43 43 GLU CB C 43 29.372 29.372 29.837 -0.465 25762 5983 1 9 . 1 1 43 43 GLU H H 43 9.070 9.070 8.396 0.674 25762 5984 1 9 . 1 1 44 44 CYS N N 44 120.031 120.031 118.130 1.901 25762 5985 1 9 . 1 1 44 44 CYS C C 44 174.887 174.887 174.291 0.596 25762 5986 1 9 . 1 1 44 44 CYS CA C 44 55.287 55.287 58.995 -3.708 25762 5987 1 9 . 1 1 44 44 CYS CB C 44 41.215 41.215 25.783 15.432 25762 5988 1 9 . 1 1 44 44 CYS H H 44 7.427 7.427 7.971 -0.544 25762 5989 1 9 . 1 1 45 45 LYS N N 45 127.192 127.192 126.225 0.967 25762 5990 1 9 . 1 1 45 45 LYS HA H 45 4.220 4.220 4.408 -0.188 25762 5991 1 9 . 1 1 45 45 LYS C C 45 176.464 176.464 175.804 0.660 25762 5992 1 9 . 1 1 45 45 LYS CA C 45 57.793 57.793 56.827 0.966 25762 5993 1 9 . 1 1 45 45 LYS CB C 45 32.251 32.251 33.166 -0.915 25762 5994 1 9 . 1 1 45 45 LYS H H 45 8.655 8.655 8.206 0.449 25762 5995 1 9 . 1 1 46 46 GLN N N 46 119.454 119.454 119.125 0.329 25762 5996 1 9 . 1 1 46 46 GLN HA H 46 4.690 4.690 4.428 0.262 25762 5997 1 9 . 1 1 46 46 GLN C C 46 175.524 175.524 174.303 1.221 25762 5998 1 9 . 1 1 46 46 GLN CA C 46 55.759 55.759 56.377 -0.618 25762 5999 1 9 . 1 1 46 46 GLN CB C 46 29.672 29.672 30.924 -1.252 25762 6000 1 9 . 1 1 46 46 GLN H H 46 7.831 7.831 8.109 -0.278 25762 6001 1 9 . 1 1 47 47 THR N N 47 116.122 116.122 123.283 -7.161 25762 6002 1 9 . 1 1 47 47 THR HA H 47 4.701 4.701 4.695 0.006 25762 6003 1 9 . 1 1 47 47 THR C C 47 173.458 173.458 172.916 0.542 25762 6004 1 9 . 1 1 47 47 THR CA C 47 61.693 61.693 62.621 -0.928 25762 6005 1 9 . 1 1 47 47 THR CB C 47 69.773 69.773 70.020 -0.247 25762 6006 1 9 . 1 1 47 47 THR H H 47 8.633 8.633 8.449 0.184 25762 6007 1 9 . 1 1 48 48 MET N N 48 121.378 121.378 124.160 -2.782 25762 6008 1 9 . 1 1 48 48 MET HA H 48 5.610 5.610 5.193 0.417 25762 6009 1 9 . 1 1 48 48 MET C C 48 174.850 174.850 175.404 -0.554 25762 6010 1 9 . 1 1 48 48 MET CA C 48 55.321 55.321 54.836 0.485 25762 6011 1 9 . 1 1 48 48 MET CB C 48 36.529 36.529 36.760 -0.231 25762 6012 1 9 . 1 1 48 48 MET H H 48 7.838 7.838 8.429 -0.591 25762 6013 1 9 . 1 1 49 49 LYS N N 49 123.748 123.748 123.500 0.248 25762 6014 1 9 . 1 1 49 49 LYS HA H 49 4.560 4.560 4.893 -0.333 25762 6015 1 9 . 1 1 49 49 LYS C C 49 173.773 173.773 175.102 -1.329 25762 6016 1 9 . 1 1 49 49 LYS CA C 49 55.899 55.899 55.652 0.247 25762 6017 1 9 . 1 1 49 49 LYS CB C 49 36.032 36.032 36.157 -0.125 25762 6018 1 9 . 1 1 49 49 LYS H H 49 8.539 8.539 9.477 -0.938 25762 6019 1 9 . 1 1 50 50 THR N N 50 117.276 117.276 116.375 0.901 25762 6020 1 9 . 1 1 50 50 THR HA H 50 5.330 5.330 5.199 0.131 25762 6021 1 9 . 1 1 50 50 THR C C 50 174.047 174.047 174.323 -0.276 25762 6022 1 9 . 1 1 50 50 THR CA C 50 61.169 61.169 60.582 0.587 25762 6023 1 9 . 1 1 50 50 THR CB C 50 71.019 71.019 70.729 0.290 25762 6024 1 9 . 1 1 50 50 THR H H 50 8.416 8.416 8.535 -0.119 25762 6025 1 9 . 1 1 51 51 GLN N N 51 123.996 123.996 124.420 -0.424 25762 6026 1 9 . 1 1 51 51 GLN HA H 51 4.680 4.680 4.718 -0.038 25762 6027 1 9 . 1 1 51 51 GLN C C 51 174.453 174.453 174.589 -0.136 25762 6028 1 9 . 1 1 51 51 GLN CA C 51 54.079 54.079 54.410 -0.332 25762 6029 1 9 . 1 1 51 51 GLN CB C 51 34.352 34.352 32.690 1.662 25762 6030 1 9 . 1 1 51 51 GLN H H 51 9.034 9.034 9.061 -0.027 25762 6031 1 9 . 1 1 52 52 ARG N N 52 124.759 124.759 122.549 2.210 25762 6032 1 9 . 1 1 52 52 ARG HA H 52 4.600 4.600 4.852 -0.252 25762 6033 1 9 . 1 1 52 52 ARG C C 52 174.978 174.978 175.968 -0.990 25762 6034 1 9 . 1 1 52 52 ARG CA C 52 56.600 56.600 55.354 1.246 25762 6035 1 9 . 1 1 52 52 ARG CB C 52 30.812 30.812 29.672 1.140 25762 6036 1 9 . 1 1 52 52 ARG H H 52 8.520 8.520 8.446 0.074 25762 6037 1 9 . 1 1 53 53 CYS N N 53 120.158 120.158 124.701 -4.543 25762 6038 1 9 . 1 1 53 53 CYS HA H 53 4.130 4.130 4.439 -0.309 25762 6039 1 9 . 1 1 53 53 CYS C C 53 170.755 170.755 174.732 -3.977 25762 6040 1 9 . 1 1 53 53 CYS CA C 53 54.574 54.574 59.644 -5.070 25762 6041 1 9 . 1 1 53 53 CYS CB C 53 47.178 47.178 28.747 18.431 25762 6042 1 9 . 1 1 53 53 CYS H H 53 8.167 8.167 8.954 -0.787 25762 6043 1 9 . 1 1 54 54 LYS N N 54 120.283 120.283 120.569 -0.286 25762 6044 1 9 . 1 1 54 54 LYS HA H 54 4.840 4.840 4.581 0.259 25762 6045 1 9 . 1 1 54 54 LYS C C 54 175.166 175.166 175.174 -0.008 25762 6046 1 9 . 1 1 54 54 LYS CA C 54 55.611 55.611 55.487 0.124 25762 6047 1 9 . 1 1 54 54 LYS CB C 54 36.066 36.066 34.361 1.704 25762 6048 1 9 . 1 1 54 54 LYS H H 54 8.489 8.489 8.348 0.141 25762 6049 1 9 . 1 1 55 55 ILE N N 55 126.794 126.794 126.071 0.723 25762 6050 1 9 . 1 1 55 55 ILE HA H 55 4.600 4.600 4.412 0.188 25762 6051 1 9 . 1 1 55 55 ILE CA C 55 57.299 57.299 58.347 -1.048 25762 6052 1 9 . 1 1 55 55 ILE CB C 55 41.759 41.759 39.064 2.695 25762 6053 1 9 . 1 1 55 55 ILE H H 55 8.673 8.673 8.475 0.198 25762 6054 1 9 . 1 1 56 56 PRO HA H 56 4.360 4.360 4.392 -0.032 25762 6055 1 9 . 1 1 56 56 PRO C C 56 176.748 176.748 176.148 0.600 25762 6056 1 9 . 1 1 56 56 PRO CA C 56 63.790 63.790 63.327 0.463 25762 6057 1 9 . 1 1 56 56 PRO CB C 56 32.200 32.200 31.986 0.214 25762 6058 1 9 . 1 1 57 57 CYS N N 57 121.411 121.411 114.470 6.941 25762 6059 1 9 . 1 1 57 57 CYS HA H 57 4.160 4.160 4.156 0.004 25762 6060 1 9 . 1 1 57 57 CYS C C 57 174.867 174.867 173.759 1.108 25762 6061 1 9 . 1 1 57 57 CYS CA C 57 54.490 54.490 59.158 -4.668 25762 6062 1 9 . 1 1 57 57 CYS CB C 57 43.090 43.090 27.593 15.497 25762 6063 1 9 . 1 1 57 57 CYS H H 57 8.782 8.782 7.957 0.825 25762 6064 1 9 . 1 1 58 58 ASN N N 58 120.918 120.918 119.457 1.461 25762 6065 1 9 . 1 1 58 58 ASN HA H 58 4.620 4.620 4.660 -0.040 25762 6066 1 9 . 1 1 58 58 ASN C C 58 175.129 175.129 174.791 0.338 25762 6067 1 9 . 1 1 58 58 ASN CA C 58 53.832 53.832 53.714 0.118 25762 6068 1 9 . 1 1 58 58 ASN CB C 58 38.634 38.634 38.816 -0.182 25762 6069 1 9 . 1 1 58 58 ASN H H 58 8.551 8.551 8.679 -0.128 25762 6070 1 9 . 1 1 59 59 TRP N N 59 121.791 121.791 116.571 5.220 25762 6071 1 9 . 1 1 59 59 TRP HA H 59 4.604 4.604 4.368 0.236 25762 6072 1 9 . 1 1 59 59 TRP C C 59 176.374 176.374 176.048 0.326 25762 6073 1 9 . 1 1 59 59 TRP CA C 59 57.605 57.605 57.621 -0.016 25762 6074 1 9 . 1 1 59 59 TRP CB C 59 29.487 29.487 26.845 2.642 25762 6075 1 9 . 1 1 59 59 TRP H H 59 8.010 8.010 8.120 -0.110 25762 6076 1 9 . 1 1 60 60 LYS N N 60 122.289 122.289 118.637 3.652 25762 6077 1 9 . 1 1 60 60 LYS HA H 60 4.070 4.070 4.379 -0.309 25762 6078 1 9 . 1 1 60 60 LYS C C 60 176.685 176.685 175.885 0.800 25762 6079 1 9 . 1 1 60 60 LYS CA C 60 56.926 56.926 56.520 0.406 25762 6080 1 9 . 1 1 60 60 LYS CB C 60 32.877 32.877 33.385 -0.508 25762 6081 1 9 . 1 1 60 60 LYS H H 60 7.751 7.751 7.926 -0.175 25762 6082 1 9 . 1 1 61 61 LYS N N 61 121.691 121.691 121.091 0.600 25762 6083 1 9 . 1 1 61 61 LYS HA H 61 4.160 4.160 4.682 -0.522 25762 6084 1 9 . 1 1 61 61 LYS C C 61 176.731 176.731 175.077 1.654 25762 6085 1 9 . 1 1 61 61 LYS CA C 61 56.804 56.804 56.005 0.799 25762 6086 1 9 . 1 1 61 61 LYS CB C 61 32.910 32.910 33.623 -0.713 25762 6087 1 9 . 1 1 61 61 LYS H H 61 7.963 7.963 8.500 -0.537 25762 6088 1 9 . 1 1 62 62 GLN N N 62 120.611 120.611 119.846 0.765 25762 6089 1 9 . 1 1 62 62 GLN HA H 62 4.240 4.240 4.378 -0.138 25762 6090 1 9 . 1 1 62 62 GLN C C 62 175.696 175.696 174.881 0.815 25762 6091 1 9 . 1 1 62 62 GLN CA C 62 56.416 56.416 55.201 1.215 25762 6092 1 9 . 1 1 62 62 GLN CB C 62 29.722 29.722 30.115 -0.393 25762 6093 1 9 . 1 1 62 62 GLN H H 62 8.177 8.177 8.526 -0.349 25762 6094 1 9 . 1 1 63 63 PHE N N 63 119.964 119.964 120.774 -0.810 25762 6095 1 9 . 1 1 63 63 PHE HA H 63 4.750 4.750 4.783 -0.033 25762 6096 1 9 . 1 1 63 63 PHE C C 63 175.958 175.958 176.350 -0.392 25762 6097 1 9 . 1 1 63 63 PHE CA C 63 57.339 57.339 57.650 -0.311 25762 6098 1 9 . 1 1 63 63 PHE CB C 63 39.813 39.813 38.170 1.643 25762 6099 1 9 . 1 1 63 63 PHE H H 63 7.990 7.990 8.151 -0.161 25762 6100 1 9 . 1 1 64 64 GLY N N 64 110.674 110.674 110.709 -0.035 25762 6101 1 9 . 1 1 64 64 GLY C C 64 174.297 174.297 174.667 -0.370 25762 6102 1 9 . 1 1 64 64 GLY CA C 64 45.306 45.306 45.610 -0.304 25762 6103 1 9 . 1 1 64 64 GLY H H 64 8.427 8.427 8.386 0.041 25762 6104 1 9 . 1 1 65 65 ALA N N 65 124.213 124.213 121.403 2.810 25762 6105 1 9 . 1 1 65 65 ALA HA H 65 4.260 4.260 4.105 0.155 25762 6106 1 9 . 1 1 65 65 ALA C C 65 178.028 178.028 178.192 -0.164 25762 6107 1 9 . 1 1 65 65 ALA CA C 65 53.400 53.400 53.521 -0.121 25762 6108 1 9 . 1 1 65 65 ALA CB C 65 19.372 19.372 17.244 2.128 25762 6109 1 9 . 1 1 65 65 ALA H H 65 8.316 8.316 8.528 -0.212 25762 6110 1 9 . 1 1 66 66 GLU N N 66 117.489 117.489 117.508 -0.019 25762 6111 1 9 . 1 1 66 66 GLU HA H 66 4.240 4.240 4.303 -0.063 25762 6112 1 9 . 1 1 66 66 GLU C C 66 175.127 175.127 176.572 -1.445 25762 6113 1 9 . 1 1 66 66 GLU CA C 66 57.205 57.205 57.453 -0.248 25762 6114 1 9 . 1 1 66 66 GLU CB C 66 29.924 29.924 30.291 -0.367 25762 6115 1 9 . 1 1 66 66 GLU H H 66 8.697 8.697 8.638 0.059 25762 6116 1 9 . 1 1 67 67 CYS N N 67 119.305 119.305 117.025 2.280 25762 6117 1 9 . 1 1 67 67 CYS HA H 67 4.310 4.310 4.773 -0.463 25762 6118 1 9 . 1 1 67 67 CYS C C 67 172.436 172.436 173.929 -1.493 25762 6119 1 9 . 1 1 67 67 CYS CA C 67 53.300 53.300 57.242 -3.942 25762 6120 1 9 . 1 1 67 67 CYS CB C 67 41.122 41.122 29.625 11.497 25762 6121 1 9 . 1 1 67 67 CYS H H 67 7.758 7.758 8.041 -0.283 25762 6122 1 9 . 1 1 68 68 LYS N N 68 123.248 123.248 119.948 3.300 25762 6123 1 9 . 1 1 68 68 LYS HA H 68 4.680 4.680 4.593 0.087 25762 6124 1 9 . 1 1 68 68 LYS C C 68 174.804 174.804 174.231 0.573 25762 6125 1 9 . 1 1 68 68 LYS CA C 68 54.009 54.009 55.497 -1.488 25762 6126 1 9 . 1 1 68 68 LYS CB C 68 33.651 33.651 35.033 -1.382 25762 6127 1 9 . 1 1 68 68 LYS H H 68 8.174 8.174 8.031 0.143 25762 6128 1 9 . 1 1 69 69 TYR N N 69 122.635 122.635 121.356 1.279 25762 6129 1 9 . 1 1 69 69 TYR HA H 69 4.410 4.410 5.128 -0.718 25762 6130 1 9 . 1 1 69 69 TYR C C 69 174.602 174.602 175.147 -0.545 25762 6131 1 9 . 1 1 69 69 TYR CA C 69 58.204 58.204 56.715 1.489 25762 6132 1 9 . 1 1 69 69 TYR CB C 69 42.100 42.100 41.562 0.538 25762 6133 1 9 . 1 1 69 69 TYR H H 69 8.769 8.769 8.551 0.218 25762 6134 1 9 . 1 1 70 70 GLN N N 70 120.984 120.984 122.608 -1.624 25762 6135 1 9 . 1 1 70 70 GLN HA H 70 4.590 4.590 4.740 -0.150 25762 6136 1 9 . 1 1 70 70 GLN C C 70 175.634 175.634 173.915 1.719 25762 6137 1 9 . 1 1 70 70 GLN CA C 70 54.108 54.108 54.318 -0.209 25762 6138 1 9 . 1 1 70 70 GLN CB C 70 29.900 29.900 32.373 -2.473 25762 6139 1 9 . 1 1 70 70 GLN H H 70 8.573 8.573 8.267 0.306 25762 6140 1 9 . 1 1 71 71 PHE N N 71 127.389 127.389 124.506 2.883 25762 6141 1 9 . 1 1 71 71 PHE HA H 71 4.970 4.970 4.918 0.052 25762 6142 1 9 . 1 1 71 71 PHE C C 71 177.149 177.149 175.633 1.516 25762 6143 1 9 . 1 1 71 71 PHE CA C 71 58.976 58.976 57.260 1.716 25762 6144 1 9 . 1 1 71 71 PHE CB C 71 40.837 40.837 39.630 1.207 25762 6145 1 9 . 1 1 71 71 PHE H H 71 9.255 9.255 8.946 0.309 25762 6146 1 9 . 1 1 72 72 GLN N N 72 121.514 121.514 122.674 -1.160 25762 6147 1 9 . 1 1 72 72 GLN HA H 72 4.440 4.440 4.620 -0.180 25762 6148 1 9 . 1 1 72 72 GLN C C 72 176.721 176.721 174.477 2.244 25762 6149 1 9 . 1 1 72 72 GLN CA C 72 54.707 54.707 53.985 0.722 25762 6150 1 9 . 1 1 72 72 GLN CB C 72 29.983 29.983 31.916 -1.933 25762 6151 1 9 . 1 1 72 72 GLN H H 72 8.273 8.273 9.053 -0.780 25762 6152 1 9 . 1 1 73 73 ALA N N 73 122.414 122.414 124.107 -1.693 25762 6153 1 9 . 1 1 73 73 ALA HA H 73 4.220 4.220 4.638 -0.418 25762 6154 1 9 . 1 1 73 73 ALA C C 73 178.776 178.776 176.464 2.312 25762 6155 1 9 . 1 1 73 73 ALA CA C 73 52.751 52.751 51.318 1.433 25762 6156 1 9 . 1 1 73 73 ALA CB C 73 19.559 19.559 18.032 1.527 25762 6157 1 9 . 1 1 73 73 ALA H H 73 8.293 8.293 8.806 -0.513 25762 6158 1 9 . 1 1 74 74 TRP N N 74 120.412 120.412 124.972 -4.560 25762 6159 1 9 . 1 1 74 74 TRP HA H 74 4.260 4.260 4.527 -0.267 25762 6160 1 9 . 1 1 74 74 TRP C C 74 178.290 178.290 175.802 2.488 25762 6161 1 9 . 1 1 74 74 TRP CA C 74 58.982 58.982 58.262 0.720 25762 6162 1 9 . 1 1 74 74 TRP CB C 74 30.633 30.633 30.261 0.372 25762 6163 1 9 . 1 1 74 74 TRP H H 74 8.136 8.136 8.580 -0.444 25762 6164 1 9 . 1 1 75 75 GLY N N 75 109.881 109.881 106.364 3.517 25762 6165 1 9 . 1 1 75 75 GLY C C 75 177.700 177.700 172.226 5.474 25762 6166 1 9 . 1 1 75 75 GLY CA C 75 44.287 44.287 44.349 -0.062 25762 6167 1 9 . 1 1 75 75 GLY H H 75 8.763 8.763 7.822 0.941 25762 6168 1 9 . 1 1 76 76 GLU N N 76 116.900 116.900 119.615 -2.715 25762 6169 1 9 . 1 1 76 76 GLU HA H 76 4.230 4.230 4.565 -0.335 25762 6170 1 9 . 1 1 76 76 GLU C C 76 177.770 177.770 176.407 1.363 25762 6171 1 9 . 1 1 76 76 GLU CA C 76 55.700 55.700 54.959 0.742 25762 6172 1 9 . 1 1 76 76 GLU CB C 76 30.600 30.600 31.238 -0.638 25762 6173 1 9 . 1 1 76 76 GLU H H 76 8.400 8.400 8.251 0.149 25762 6174 1 9 . 1 1 77 77 CYS N N 77 121.846 121.846 124.753 -2.907 25762 6175 1 9 . 1 1 77 77 CYS HA H 77 4.150 4.150 4.197 -0.047 25762 6176 1 9 . 1 1 77 77 CYS C C 77 174.117 174.117 175.307 -1.190 25762 6177 1 9 . 1 1 77 77 CYS CA C 77 56.706 56.706 59.307 -2.601 25762 6178 1 9 . 1 1 77 77 CYS CB C 77 41.056 41.056 27.771 13.285 25762 6179 1 9 . 1 1 77 77 CYS H H 77 8.980 8.980 8.741 0.239 25762 6180 1 9 . 1 1 78 78 ASP N N 78 131.728 131.728 127.027 4.701 25762 6181 1 9 . 1 1 78 78 ASP HA H 78 3.370 3.370 4.747 -1.377 25762 6182 1 9 . 1 1 78 78 ASP C C 78 176.890 176.890 176.495 0.395 25762 6183 1 9 . 1 1 78 78 ASP CA C 78 53.492 53.492 54.757 -1.265 25762 6184 1 9 . 1 1 78 78 ASP CB C 78 41.819 41.819 41.634 0.185 25762 6185 1 9 . 1 1 78 78 ASP H H 78 8.279 8.279 8.572 -0.293 25762 6186 1 9 . 1 1 79 79 LEU N N 79 127.191 127.191 125.572 1.619 25762 6187 1 9 . 1 1 79 79 LEU HA H 79 3.990 3.990 4.120 -0.130 25762 6188 1 9 . 1 1 79 79 LEU C C 79 178.627 178.627 178.155 0.472 25762 6189 1 9 . 1 1 79 79 LEU CA C 79 57.179 57.179 57.540 -0.361 25762 6190 1 9 . 1 1 79 79 LEU CB C 79 41.642 41.642 41.914 -0.272 25762 6191 1 9 . 1 1 79 79 LEU H H 79 8.763 8.763 8.592 0.171 25762 6192 1 9 . 1 1 80 80 ASN N N 80 116.238 116.238 118.357 -2.119 25762 6193 1 9 . 1 1 80 80 ASN HA H 80 4.590 4.590 4.530 0.060 25762 6194 1 9 . 1 1 80 80 ASN C C 80 176.905 176.905 176.069 0.836 25762 6195 1 9 . 1 1 80 80 ASN CA C 80 55.800 55.800 55.059 0.741 25762 6196 1 9 . 1 1 80 80 ASN CB C 80 39.151 39.151 38.203 0.948 25762 6197 1 9 . 1 1 80 80 ASN H H 80 8.746 8.746 8.420 0.326 25762 6198 1 9 . 1 1 81 81 THR N N 81 108.459 108.459 109.041 -0.582 25762 6199 1 9 . 1 1 81 81 THR HA H 81 4.240 4.240 4.430 -0.190 25762 6200 1 9 . 1 1 81 81 THR C C 81 174.727 174.727 174.855 -0.128 25762 6201 1 9 . 1 1 81 81 THR CA C 81 61.540 61.540 61.365 0.175 25762 6202 1 9 . 1 1 81 81 THR CB C 81 70.900 70.900 70.070 0.830 25762 6203 1 9 . 1 1 81 81 THR H H 81 7.666 7.666 7.610 0.056 25762 6204 1 9 . 1 1 82 82 ALA N N 82 122.870 122.870 122.458 0.412 25762 6205 1 9 . 1 1 82 82 ALA HA H 82 3.820 3.820 4.036 -0.216 25762 6206 1 9 . 1 1 82 82 ALA C C 82 176.506 176.506 176.037 0.469 25762 6207 1 9 . 1 1 82 82 ALA CA C 82 53.603 53.603 53.315 0.288 25762 6208 1 9 . 1 1 82 82 ALA CB C 82 17.013 17.013 17.301 -0.288 25762 6209 1 9 . 1 1 82 82 ALA H H 82 8.687 8.687 7.897 0.790 25762 6210 1 9 . 1 1 83 83 LEU N N 83 117.374 117.374 117.287 0.087 25762 6211 1 9 . 1 1 83 83 LEU HA H 83 5.031 5.031 4.701 0.330 25762 6212 1 9 . 1 1 83 83 LEU C C 83 177.616 177.616 176.179 1.437 25762 6213 1 9 . 1 1 83 83 LEU CA C 83 54.098 54.098 53.636 0.462 25762 6214 1 9 . 1 1 83 83 LEU CB C 83 46.622 46.622 44.131 2.491 25762 6215 1 9 . 1 1 83 83 LEU H H 83 7.353 7.353 7.293 0.060 25762 6216 1 9 . 1 1 84 84 LYS N N 84 122.053 122.053 120.946 1.107 25762 6217 1 9 . 1 1 84 84 LYS HA H 84 4.940 4.940 4.750 0.190 25762 6218 1 9 . 1 1 84 84 LYS C C 84 175.449 175.449 175.153 0.296 25762 6219 1 9 . 1 1 84 84 LYS CA C 84 54.287 54.287 55.282 -0.995 25762 6220 1 9 . 1 1 84 84 LYS CB C 84 36.060 36.060 35.667 0.393 25762 6221 1 9 . 1 1 84 84 LYS H H 84 9.043 9.043 8.620 0.423 25762 6222 1 9 . 1 1 85 85 THR N N 85 114.896 114.896 118.581 -3.685 25762 6223 1 9 . 1 1 85 85 THR HA H 85 5.820 5.820 5.429 0.391 25762 6224 1 9 . 1 1 85 85 THR C C 85 174.123 174.123 174.108 0.015 25762 6225 1 9 . 1 1 85 85 THR CA C 85 61.226 61.226 61.197 0.030 25762 6226 1 9 . 1 1 85 85 THR CB C 85 72.857 72.857 71.319 1.539 25762 6227 1 9 . 1 1 85 85 THR H H 85 9.011 9.011 8.505 0.506 25762 6228 1 9 . 1 1 86 86 ARG N N 86 123.804 123.804 125.837 -2.033 25762 6229 1 9 . 1 1 86 86 ARG C C 86 173.792 173.792 174.660 -0.868 25762 6230 1 9 . 1 1 86 86 ARG CA C 86 56.720 56.720 55.017 1.703 25762 6231 1 9 . 1 1 86 86 ARG CB C 86 33.185 33.185 34.643 -1.458 25762 6232 1 9 . 1 1 86 86 ARG H H 86 9.056 9.056 9.151 -0.095 25762 6233 1 9 . 1 1 87 87 THR N N 87 117.796 117.796 117.966 -0.170 25762 6234 1 9 . 1 1 87 87 THR HA H 87 5.270 5.270 5.129 0.141 25762 6235 1 9 . 1 1 87 87 THR C C 87 173.939 173.939 174.115 -0.176 25762 6236 1 9 . 1 1 87 87 THR CA C 87 61.003 61.003 61.865 -0.862 25762 6237 1 9 . 1 1 87 87 THR CB C 87 71.091 71.091 70.260 0.831 25762 6238 1 9 . 1 1 87 87 THR H H 87 8.387 8.387 8.241 0.146 25762 6239 1 9 . 1 1 88 88 GLY N N 88 112.501 112.501 110.450 2.051 25762 6240 1 9 . 1 1 88 88 GLY C C 88 171.645 171.645 172.235 -0.590 25762 6241 1 9 . 1 1 88 88 GLY CA C 88 44.657 44.657 43.961 0.696 25762 6242 1 9 . 1 1 88 88 GLY H H 88 9.074 9.074 8.917 0.157 25762 6243 1 9 . 1 1 89 89 SER N N 89 115.802 115.802 114.710 1.092 25762 6244 1 9 . 1 1 89 89 SER HA H 89 5.260 5.260 5.177 0.083 25762 6245 1 9 . 1 1 89 89 SER C C 89 174.767 174.767 173.239 1.528 25762 6246 1 9 . 1 1 89 89 SER CA C 89 56.512 56.512 57.101 -0.589 25762 6247 1 9 . 1 1 89 89 SER CB C 89 65.434 65.434 67.198 -1.764 25762 6248 1 9 . 1 1 89 89 SER H H 89 8.217 8.217 8.206 0.011 25762 6249 1 9 . 1 1 90 90 LEU N N 90 128.595 128.595 125.395 3.200 25762 6250 1 9 . 1 1 90 90 LEU HA H 90 3.420 3.420 4.608 -1.188 25762 6251 1 9 . 1 1 90 90 LEU C C 90 176.399 176.399 176.956 -0.557 25762 6252 1 9 . 1 1 90 90 LEU CA C 90 56.558 56.558 55.076 1.482 25762 6253 1 9 . 1 1 90 90 LEU CB C 90 43.006 43.006 41.922 1.084 25762 6254 1 9 . 1 1 90 90 LEU H H 90 8.555 8.555 8.859 -0.304 25762 6255 1 9 . 1 1 91 91 LYS N N 91 128.646 128.646 127.590 1.056 25762 6256 1 9 . 1 1 91 91 LYS HA H 91 4.330 4.330 4.405 -0.075 25762 6257 1 9 . 1 1 91 91 LYS C C 91 176.318 176.318 175.909 0.409 25762 6258 1 9 . 1 1 91 91 LYS CA C 91 56.103 56.103 56.520 -0.417 25762 6259 1 9 . 1 1 91 91 LYS CB C 91 33.565 33.565 33.859 -0.294 25762 6260 1 9 . 1 1 91 91 LYS H H 91 9.065 9.065 8.589 0.476 25762 6261 1 9 . 1 1 92 92 ARG N N 92 118.834 118.834 118.244 0.590 25762 6262 1 9 . 1 1 92 92 ARG HA H 92 4.220 4.220 4.424 -0.204 25762 6263 1 9 . 1 1 92 92 ARG C C 92 173.259 173.259 173.501 -0.242 25762 6264 1 9 . 1 1 92 92 ARG CA C 92 56.259 56.259 56.210 0.049 25762 6265 1 9 . 1 1 92 92 ARG CB C 92 32.623 32.623 33.369 -0.746 25762 6266 1 9 . 1 1 92 92 ARG H H 92 7.641 7.641 7.406 0.235 25762 6267 1 9 . 1 1 93 93 ALA N N 93 127.574 127.574 126.825 0.749 25762 6268 1 9 . 1 1 93 93 ALA HA H 93 4.870 4.870 4.458 0.412 25762 6269 1 9 . 1 1 93 93 ALA C C 93 177.037 177.037 175.935 1.102 25762 6270 1 9 . 1 1 93 93 ALA CA C 93 50.949 50.949 50.940 0.010 25762 6271 1 9 . 1 1 93 93 ALA CB C 93 21.664 21.664 20.616 1.048 25762 6272 1 9 . 1 1 93 93 ALA H H 93 8.451 8.451 8.310 0.141 25762 6273 1 9 . 1 1 94 94 LEU N N 94 123.296 123.296 120.742 2.554 25762 6274 1 9 . 1 1 94 94 LEU HA H 94 4.250 4.250 4.549 -0.299 25762 6275 1 9 . 1 1 94 94 LEU C C 94 177.256 177.256 178.581 -1.325 25762 6276 1 9 . 1 1 94 94 LEU CA C 94 55.137 55.137 53.450 1.687 25762 6277 1 9 . 1 1 94 94 LEU CB C 94 42.697 42.697 42.951 -0.254 25762 6278 1 9 . 1 1 94 94 LEU H H 94 8.654 8.654 8.298 0.356 25762 6279 1 9 . 1 1 95 95 HIS N N 95 116.413 116.413 117.336 -0.923 25762 6280 1 9 . 1 1 95 95 HIS HA H 95 4.430 4.430 4.464 -0.034 25762 6281 1 9 . 1 1 95 95 HIS C C 95 174.801 174.801 175.015 -0.214 25762 6282 1 9 . 1 1 95 95 HIS CA C 95 56.400 56.400 57.831 -1.431 25762 6283 1 9 . 1 1 95 95 HIS CB C 95 28.218 28.218 30.230 -2.012 25762 6284 1 9 . 1 1 95 95 HIS H H 95 8.642 8.642 8.319 0.323 25762 6285 1 9 . 1 1 96 96 ASN N N 96 115.824 115.824 118.625 -2.801 25762 6286 1 9 . 1 1 96 96 ASN HA H 96 4.450 4.450 4.814 -0.364 25762 6287 1 9 . 1 1 96 96 ASN C C 96 175.026 175.026 173.299 1.727 25762 6288 1 9 . 1 1 96 96 ASN CA C 96 53.692 53.692 52.812 0.880 25762 6289 1 9 . 1 1 96 96 ASN CB C 96 38.056 38.056 39.099 -1.043 25762 6290 1 9 . 1 1 96 96 ASN H H 96 8.461 8.461 8.045 0.416 25762 6291 1 9 . 1 1 97 97 ALA N N 97 122.558 122.558 121.291 1.267 25762 6292 1 9 . 1 1 97 97 ALA HA H 97 4.130 4.130 4.580 -0.450 25762 6293 1 9 . 1 1 97 97 ALA C C 97 177.337 177.337 175.440 1.897 25762 6294 1 9 . 1 1 97 97 ALA CA C 97 53.430 53.430 52.049 1.381 25762 6295 1 9 . 1 1 97 97 ALA CB C 97 20.204 20.204 21.407 -1.203 25762 6296 1 9 . 1 1 97 97 ALA H H 97 7.791 7.791 7.346 0.445 25762 6297 1 9 . 1 1 98 98 GLU N N 98 120.504 120.504 122.395 -1.891 25762 6298 1 9 . 1 1 98 98 GLU HA H 98 4.320 4.320 4.622 -0.302 25762 6299 1 9 . 1 1 98 98 GLU C C 98 176.154 176.154 174.993 1.161 25762 6300 1 9 . 1 1 98 98 GLU CA C 98 56.630 56.630 55.808 0.822 25762 6301 1 9 . 1 1 98 98 GLU CB C 98 29.496 29.496 30.422 -0.926 25762 6302 1 9 . 1 1 98 98 GLU H H 98 8.478 8.478 8.552 -0.074 25762 6303 1 9 . 1 1 99 99 CYS N N 99 122.399 122.399 122.210 0.189 25762 6304 1 9 . 1 1 99 99 CYS HA H 99 4.820 4.820 4.676 0.144 25762 6305 1 9 . 1 1 99 99 CYS C C 99 174.711 174.711 174.813 -0.102 25762 6306 1 9 . 1 1 99 99 CYS CA C 99 53.985 53.985 57.800 -3.815 25762 6307 1 9 . 1 1 99 99 CYS CB C 99 44.177 44.177 29.487 14.690 25762 6308 1 9 . 1 1 99 99 CYS H H 99 7.978 7.978 8.637 -0.659 25762 6309 1 9 . 1 1 100 100 GLN N N 100 123.539 123.539 124.414 -0.875 25762 6310 1 9 . 1 1 100 100 GLN HA H 100 4.300 4.300 4.339 -0.039 25762 6311 1 9 . 1 1 100 100 GLN C C 100 178.317 178.317 176.377 1.940 25762 6312 1 9 . 1 1 100 100 GLN CA C 100 56.157 56.157 55.820 0.337 25762 6313 1 9 . 1 1 100 100 GLN CB C 100 29.303 29.303 29.421 -0.118 25762 6314 1 9 . 1 1 100 100 GLN H H 100 8.864 8.864 8.574 0.290 25762 6315 1 9 . 1 1 101 101 LYS N N 101 125.153 125.153 118.318 6.835 25762 6316 1 9 . 1 1 101 101 LYS HA H 101 4.020 4.020 4.118 -0.098 25762 6317 1 9 . 1 1 101 101 LYS C C 101 176.669 176.669 176.768 -0.099 25762 6318 1 9 . 1 1 101 101 LYS CA C 101 59.876 59.876 58.415 1.461 25762 6319 1 9 . 1 1 101 101 LYS CB C 101 32.760 32.760 32.382 0.378 25762 6320 1 9 . 1 1 101 101 LYS H H 101 9.063 9.063 8.644 0.419 25762 6321 1 9 . 1 1 102 102 THR N N 102 111.208 111.208 111.971 -0.763 25762 6322 1 9 . 1 1 102 102 THR HA H 102 5.260 5.260 4.881 0.379 25762 6323 1 9 . 1 1 102 102 THR C C 102 173.097 173.097 173.417 -0.320 25762 6324 1 9 . 1 1 102 102 THR CA C 102 59.922 59.922 60.285 -0.363 25762 6325 1 9 . 1 1 102 102 THR CB C 102 71.788 71.788 71.382 0.406 25762 6326 1 9 . 1 1 102 102 THR H H 102 7.706 7.706 7.304 0.402 25762 6327 1 9 . 1 1 103 103 VAL N N 103 117.395 117.395 119.679 -2.284 25762 6328 1 9 . 1 1 103 103 VAL HA H 103 4.510 4.510 4.459 0.051 25762 6329 1 9 . 1 1 103 103 VAL C C 103 174.132 174.132 173.961 0.171 25762 6330 1 9 . 1 1 103 103 VAL CA C 103 59.538 59.538 59.710 -0.172 25762 6331 1 9 . 1 1 103 103 VAL CB C 103 35.523 35.523 35.539 -0.016 25762 6332 1 9 . 1 1 103 103 VAL H H 103 8.192 8.192 8.656 -0.464 25762 6333 1 9 . 1 1 104 104 THR N N 104 117.862 117.862 119.067 -1.205 25762 6334 1 9 . 1 1 104 104 THR HA H 104 5.098 5.098 5.137 -0.039 25762 6335 1 9 . 1 1 104 104 THR C C 104 173.646 173.646 173.361 0.285 25762 6336 1 9 . 1 1 104 104 THR CA C 104 61.458 61.458 61.427 0.031 25762 6337 1 9 . 1 1 104 104 THR CB C 104 71.177 71.177 70.845 0.332 25762 6338 1 9 . 1 1 104 104 THR H H 104 8.332 8.332 8.076 0.256 25762 6339 1 9 . 1 1 105 105 ILE N N 105 124.431 124.431 125.354 -0.923 25762 6340 1 9 . 1 1 105 105 ILE HA H 105 4.670 4.670 4.624 0.046 25762 6341 1 9 . 1 1 105 105 ILE C C 105 174.296 174.296 173.109 1.187 25762 6342 1 9 . 1 1 105 105 ILE CA C 105 59.695 59.695 60.012 -0.317 25762 6343 1 9 . 1 1 105 105 ILE CB C 105 41.116 41.116 41.930 -0.814 25762 6344 1 9 . 1 1 105 105 ILE H H 105 8.868 8.868 8.784 0.084 25762 6345 1 9 . 1 1 106 106 SER N N 106 118.430 118.430 123.421 -4.991 25762 6346 1 9 . 1 1 106 106 SER HA H 106 3.760 3.760 5.293 -1.533 25762 6347 1 9 . 1 1 106 106 SER C C 106 173.441 173.441 173.189 0.252 25762 6348 1 9 . 1 1 106 106 SER CA C 106 56.877 56.877 56.961 -0.084 25762 6349 1 9 . 1 1 106 106 SER CB C 106 67.115 67.115 65.273 1.842 25762 6350 1 9 . 1 1 106 106 SER H H 106 8.559 8.559 8.643 -0.084 25762 6351 1 9 . 1 1 107 107 LYS N N 107 121.976 121.976 124.916 -2.940 25762 6352 1 9 . 1 1 107 107 LYS CA C 107 53.625 53.625 53.025 0.600 25762 6353 1 9 . 1 1 107 107 LYS CB C 107 35.515 35.515 35.998 -0.483 25762 6354 1 9 . 1 1 107 107 LYS H H 107 9.060 9.060 9.047 0.013 25762 6355 1 9 . 1 1 108 108 PRO HA H 108 4.940 4.940 4.472 0.468 25762 6356 1 9 . 1 1 108 108 PRO C C 108 176.741 176.741 176.010 0.731 25762 6357 1 9 . 1 1 108 108 PRO CA C 108 62.870 62.870 63.374 -0.504 25762 6358 1 9 . 1 1 108 108 PRO CB C 108 32.590 32.590 31.587 1.003 25762 6359 1 9 . 1 1 109 109 CYS N N 109 118.313 118.313 122.905 -4.592 25762 6360 1 9 . 1 1 109 109 CYS HA H 109 4.501 4.501 4.932 -0.431 25762 6361 1 9 . 1 1 109 109 CYS C C 109 173.369 173.369 174.535 -1.166 25762 6362 1 9 . 1 1 109 109 CYS CA C 109 55.950 55.950 58.452 -2.502 25762 6363 1 9 . 1 1 109 109 CYS CB C 109 44.620 44.620 31.347 13.273 25762 6364 1 9 . 1 1 109 109 CYS H H 109 8.237 8.237 8.199 0.038 25762 6365 1 9 . 1 1 110 110 GLY N N 110 108.677 108.677 108.450 0.227 25762 6366 1 9 . 1 1 110 110 GLY C C 110 173.455 173.455 173.556 -0.101 25762 6367 1 9 . 1 1 110 110 GLY CA C 110 45.276 45.276 45.453 -0.177 25762 6368 1 9 . 1 1 110 110 GLY H H 110 8.220 8.220 8.372 -0.152 25762 6369 1 9 . 1 1 111 111 LYS N N 111 121.361 121.361 122.728 -1.367 25762 6370 1 9 . 1 1 111 111 LYS HA H 111 4.270 4.270 4.615 -0.345 25762 6371 1 9 . 1 1 111 111 LYS C C 111 176.597 176.597 174.942 1.655 25762 6372 1 9 . 1 1 111 111 LYS CA C 111 56.420 56.420 55.623 0.796 25762 6373 1 9 . 1 1 111 111 LYS CB C 111 33.470 33.470 32.289 1.181 25762 6374 1 9 . 1 1 111 111 LYS H H 111 8.239 8.239 8.363 -0.124 25762 6375 1 9 . 1 1 112 112 LEU N N 112 123.971 123.971 122.816 1.155 25762 6376 1 9 . 1 1 112 112 LEU HA H 112 4.410 4.410 4.719 -0.309 25762 6377 1 9 . 1 1 112 112 LEU C C 112 177.404 177.404 177.484 -0.080 25762 6378 1 9 . 1 1 112 112 LEU CA C 112 55.150 55.150 53.768 1.382 25762 6379 1 9 . 1 1 112 112 LEU CB C 112 42.349 42.349 44.248 -1.899 25762 6380 1 9 . 1 1 112 112 LEU H H 112 8.340 8.340 8.014 0.326 25762 6381 1 9 . 1 1 113 113 THR N N 113 116.653 116.653 115.308 1.345 25762 6382 1 9 . 1 1 113 113 THR HA H 113 4.310 4.310 4.382 -0.072 25762 6383 1 9 . 1 1 113 113 THR C C 113 174.082 174.082 174.195 -0.113 25762 6384 1 9 . 1 1 113 113 THR CA C 113 61.676 61.676 61.348 0.328 25762 6385 1 9 . 1 1 113 113 THR CB C 113 69.090 69.090 69.531 -0.441 25762 6386 1 9 . 1 1 113 113 THR H H 113 8.150 8.150 8.281 -0.131 25762 6387 1 9 . 1 1 114 114 LYS N N 114 125.770 125.770 120.640 5.130 25762 6388 1 9 . 1 1 114 114 LYS CA C 114 54.157 54.157 54.323 -0.166 25762 6389 1 9 . 1 1 114 114 LYS CB C 114 32.820 32.820 32.316 0.505 25762 6390 1 9 . 1 1 114 114 LYS H H 114 8.290 8.290 8.352 -0.062 25762 6391 1 9 . 1 1 115 115 PRO HA H 115 4.350 4.350 4.367 -0.017 25762 6392 1 9 . 1 1 115 115 PRO C C 115 176.679 176.679 176.248 0.431 25762 6393 1 9 . 1 1 115 115 PRO CA C 115 62.960 62.960 62.942 0.018 25762 6394 1 9 . 1 1 115 115 PRO CB C 115 31.860 31.860 32.300 -0.440 25762 6395 1 9 . 1 1 116 116 LYS N N 116 123.818 123.818 119.293 4.525 25762 6396 1 9 . 1 1 116 116 LYS CA C 116 54.338 54.338 54.898 -0.560 25762 6397 1 9 . 1 1 116 116 LYS CB C 116 32.913 32.913 31.440 1.473 25762 6398 1 9 . 1 1 116 116 LYS H H 116 8.441 8.441 8.208 0.233 25762 6399 1 9 . 1 1 117 117 PRO HA H 117 4.403 4.403 4.373 0.030 25762 6400 1 9 . 1 1 117 117 PRO C C 117 177.038 177.038 176.609 0.429 25762 6401 1 9 . 1 1 117 117 PRO CA C 117 63.360 63.360 63.419 -0.059 25762 6402 1 9 . 1 1 117 117 PRO CB C 117 32.060 32.060 31.378 0.682 25762 6403 1 9 . 1 1 118 118 GLN N N 118 121.596 121.596 119.539 2.057 25762 6404 1 9 . 1 1 118 118 GLN HA H 118 4.270 4.270 3.891 0.379 25762 6405 1 9 . 1 1 118 118 GLN C C 118 175.963 175.963 175.165 0.798 25762 6406 1 9 . 1 1 118 118 GLN CA C 118 55.916 55.916 56.127 -0.211 25762 6407 1 9 . 1 1 118 118 GLN CB C 118 29.743 29.743 26.667 3.076 25762 6408 1 9 . 1 1 118 118 GLN H H 118 8.510 8.510 8.676 -0.166 25762 6409 1 9 . 1 1 119 119 ALA N N 119 126.073 126.073 122.839 3.234 25762 6410 1 9 . 1 1 119 119 ALA HA H 119 4.270 4.270 4.290 -0.020 25762 6411 1 9 . 1 1 119 119 ALA C C 119 177.921 177.921 176.926 0.995 25762 6412 1 9 . 1 1 119 119 ALA CA C 119 52.765 52.765 52.219 0.546 25762 6413 1 9 . 1 1 119 119 ALA CB C 119 19.501 19.501 18.953 0.548 25762 6414 1 9 . 1 1 119 119 ALA H H 119 8.389 8.389 7.699 0.690 25762 6415 1 9 . 1 1 120 120 GLU N N 120 121.107 121.107 125.641 -4.534 25762 6416 1 9 . 1 1 120 120 GLU HA H 120 4.260 4.260 4.253 0.007 25762 6417 1 9 . 1 1 120 120 GLU C C 120 176.819 176.819 176.621 0.198 25762 6418 1 9 . 1 1 120 120 GLU CA C 120 56.680 56.680 56.801 -0.121 25762 6419 1 9 . 1 1 120 120 GLU CB C 120 30.482 30.482 29.383 1.099 25762 6420 1 9 . 1 1 120 120 GLU H H 120 8.441 8.441 8.532 -0.091 25762 6421 1 9 . 1 1 121 121 SER N N 121 117.791 117.791 120.884 -3.093 25762 6422 1 9 . 1 1 121 121 SER HA H 121 4.410 4.410 4.579 -0.169 25762 6423 1 9 . 1 1 121 121 SER C C 121 174.892 174.892 175.468 -0.576 25762 6424 1 9 . 1 1 121 121 SER CA C 121 58.548 58.548 59.032 -0.484 25762 6425 1 9 . 1 1 121 121 SER CB C 121 63.668 63.668 63.434 0.234 25762 6426 1 9 . 1 1 121 121 SER H H 121 8.379 8.379 8.846 -0.467 25762 6427 1 9 . 1 1 122 122 LYS N N 122 123.955 123.955 122.308 1.647 25762 6428 1 9 . 1 1 122 122 LYS CA C 122 56.474 56.474 57.986 -1.512 25762 6429 1 9 . 1 1 122 122 LYS CB C 122 33.335 33.335 32.715 0.620 25762 6430 1 9 . 1 1 122 122 LYS H H 122 8.329 8.329 7.835 0.494 25762 6431 1 9 . 1 1 125 125 LYS HA H 125 4.310 4.310 3.851 0.459 25762 6432 1 9 . 1 1 125 125 LYS C C 125 176.721 176.721 177.600 -0.879 25762 6433 1 9 . 1 1 125 125 LYS CA C 125 56.580 56.580 57.973 -1.393 25762 6434 1 9 . 1 1 125 125 LYS CB C 125 32.810 32.810 31.341 1.468 25762 6435 1 9 . 1 1 126 126 LYS N N 126 122.569 122.569 117.609 4.960 25762 6436 1 9 . 1 1 126 126 LYS HA H 126 4.320 4.320 3.801 0.519 25762 6437 1 9 . 1 1 126 126 LYS C C 126 176.512 176.512 177.436 -0.924 25762 6438 1 9 . 1 1 126 126 LYS CA C 126 56.440 56.440 58.729 -2.289 25762 6439 1 9 . 1 1 126 126 LYS CB C 126 33.057 33.057 31.713 1.343 25762 6440 1 9 . 1 1 126 126 LYS H H 126 8.169 8.169 8.353 -0.184 25762 6441 1 9 . 1 1 127 127 GLU N N 127 123.450 123.450 117.993 5.457 25762 6442 1 9 . 1 1 127 127 GLU HA H 127 4.310 4.310 3.888 0.422 25762 6443 1 9 . 1 1 127 127 GLU C C 127 176.800 176.800 177.321 -0.521 25762 6444 1 9 . 1 1 127 127 GLU CA C 127 56.474 56.474 58.513 -2.039 25762 6445 1 9 . 1 1 127 127 GLU CB C 127 30.620 30.620 29.020 1.600 25762 6446 1 9 . 1 1 127 127 GLU H H 127 8.459 8.459 8.428 0.031 25762 6447 1 9 . 1 1 128 128 GLY N N 128 110.800 110.800 108.705 2.095 25762 6448 1 9 . 1 1 128 128 GLY CA C 128 45.300 45.300 45.278 0.022 25762 6449 1 9 . 1 1 128 128 GLY H H 128 8.440 8.440 8.111 0.329 25762 6450 1 9 . 1 1 129 129 LYS HA H 129 4.270 4.270 4.047 0.223 25762 6451 1 9 . 1 1 129 129 LYS C C 129 176.516 176.516 175.344 1.172 25762 6452 1 9 . 1 1 129 129 LYS CA C 129 56.480 56.480 56.074 0.406 25762 6453 1 9 . 1 1 129 129 LYS CB C 129 32.860 32.860 32.447 0.413 25762 6454 1 9 . 1 1 130 130 LYS N N 130 124.071 124.071 125.182 -1.111 25762 6455 1 9 . 1 1 130 130 LYS HA H 130 4.270 4.270 4.186 0.084 25762 6456 1 9 . 1 1 130 130 LYS C C 130 176.545 176.545 176.930 -0.385 25762 6457 1 9 . 1 1 130 130 LYS CA C 130 56.495 56.495 56.713 -0.218 25762 6458 1 9 . 1 1 130 130 LYS CB C 130 33.020 33.020 32.234 0.786 25762 6459 1 9 . 1 1 130 130 LYS H H 130 8.409 8.409 8.526 -0.117 25762 6460 1 9 . 1 1 131 131 GLN N N 131 122.710 122.710 124.042 -1.332 25762 6461 1 9 . 1 1 131 131 GLN HA H 131 4.440 4.440 4.164 0.276 25762 6462 1 9 . 1 1 131 131 GLN C C 131 175.866 175.866 175.764 0.102 25762 6463 1 9 . 1 1 131 131 GLN CA C 131 56.016 56.016 57.428 -1.412 25762 6464 1 9 . 1 1 131 131 GLN CB C 131 29.663 29.663 29.296 0.367 25762 6465 1 9 . 1 1 131 131 GLN H H 131 8.467 8.467 8.439 0.028 25762 6466 1 9 . 1 1 132 132 GLU N N 132 123.586 123.586 116.698 6.888 25762 6467 1 9 . 1 1 132 132 GLU HA H 132 4.250 4.250 4.510 -0.260 25762 6468 1 9 . 1 1 132 132 GLU C C 132 176.354 176.354 175.066 1.288 25762 6469 1 9 . 1 1 132 132 GLU CA C 132 56.537 56.537 56.124 0.413 25762 6470 1 9 . 1 1 132 132 GLU CB C 132 30.614 30.614 30.652 -0.038 25762 6471 1 9 . 1 1 132 132 GLU H H 132 8.490 8.490 8.222 0.268 25762 6472 1 9 . 1 1 133 133 LYS N N 133 123.918 123.918 125.980 -2.062 25762 6473 1 9 . 1 1 133 133 LYS HA H 133 4.280 4.280 4.434 -0.154 25762 6474 1 9 . 1 1 133 133 LYS C C 133 176.232 176.232 175.478 0.754 25762 6475 1 9 . 1 1 133 133 LYS CA C 133 56.311 56.311 56.939 -0.628 25762 6476 1 9 . 1 1 133 133 LYS CB C 133 33.137 33.137 33.332 -0.195 25762 6477 1 9 . 1 1 133 133 LYS H H 133 8.373 8.373 8.448 -0.075 25762 6478 1 9 . 1 1 134 134 MET N N 134 122.994 122.994 123.220 -0.226 25762 6479 1 9 . 1 1 134 134 MET HA H 134 4.480 4.480 4.718 -0.238 25762 6480 1 9 . 1 1 134 134 MET C C 134 175.946 175.946 175.093 0.853 25762 6481 1 9 . 1 1 134 134 MET CA C 134 55.563 55.563 55.422 0.140 25762 6482 1 9 . 1 1 134 134 MET CB C 134 32.010 32.010 33.296 -1.286 25762 6483 1 9 . 1 1 134 134 MET H H 134 8.436 8.436 8.320 0.116 25762 6484 1 9 . 1 1 135 135 LEU N N 135 124.454 124.454 125.935 -1.481 25762 6485 1 9 . 1 1 135 135 LEU HA H 135 4.380 4.380 4.745 -0.365 25762 6486 1 9 . 1 1 135 135 LEU C C 135 176.158 176.158 175.934 0.224 25762 6487 1 9 . 1 1 135 135 LEU CA C 135 55.225 55.225 54.738 0.487 25762 6488 1 9 . 1 1 135 135 LEU CB C 135 42.654 42.654 44.193 -1.539 25762 6489 1 9 . 1 1 135 135 LEU H H 135 8.285 8.285 8.227 0.058 25762 6490 1 10 . 1 1 2 2 LYS N N 2 121.740 121.740 122.772 -1.032 25762 6491 1 10 . 1 1 2 2 LYS CA C 2 56.298 56.298 56.092 0.207 25762 6492 1 10 . 1 1 2 2 LYS CB C 2 33.384 33.384 32.873 0.511 25762 6493 1 10 . 1 1 2 2 LYS H H 2 8.229 8.229 8.278 -0.049 25762 6494 1 10 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.553 -0.153 25762 6495 1 10 . 1 1 6 6 PRO C C 6 176.964 176.964 176.450 0.514 25762 6496 1 10 . 1 1 6 6 PRO CA C 6 63.200 63.200 62.524 0.676 25762 6497 1 10 . 1 1 6 6 PRO CB C 6 32.100 32.100 32.602 -0.502 25762 6498 1 10 . 1 1 7 7 GLU N N 7 122.285 122.285 120.330 1.955 25762 6499 1 10 . 1 1 7 7 GLU HA H 7 4.260 4.260 4.415 -0.155 25762 6500 1 10 . 1 1 7 7 GLU C C 7 176.226 176.226 175.826 0.400 25762 6501 1 10 . 1 1 7 7 GLU CA C 7 56.493 56.493 56.416 0.076 25762 6502 1 10 . 1 1 7 7 GLU CB C 7 30.610 30.610 29.441 1.169 25762 6503 1 10 . 1 1 7 7 GLU H H 7 8.551 8.551 8.450 0.101 25762 6504 1 10 . 1 1 8 8 LYS N N 8 122.572 122.572 126.795 -4.223 25762 6505 1 10 . 1 1 8 8 LYS HA H 8 4.310 4.310 4.454 -0.144 25762 6506 1 10 . 1 1 8 8 LYS C C 8 176.541 176.541 174.887 1.654 25762 6507 1 10 . 1 1 8 8 LYS CA C 8 56.440 56.440 56.905 -0.465 25762 6508 1 10 . 1 1 8 8 LYS CB C 8 33.195 33.195 32.765 0.430 25762 6509 1 10 . 1 1 8 8 LYS H H 8 8.346 8.346 8.616 -0.270 25762 6510 1 10 . 1 1 9 9 LYS N N 9 123.843 123.843 122.121 1.722 25762 6511 1 10 . 1 1 9 9 LYS HA H 9 4.330 4.330 4.024 0.306 25762 6512 1 10 . 1 1 9 9 LYS C C 9 176.390 176.390 175.513 0.877 25762 6513 1 10 . 1 1 9 9 LYS CA C 9 56.537 56.537 56.669 -0.132 25762 6514 1 10 . 1 1 9 9 LYS CB C 9 33.160 33.160 31.684 1.476 25762 6515 1 10 . 1 1 9 9 LYS H H 9 8.505 8.505 8.359 0.146 25762 6516 1 10 . 1 1 10 10 VAL N N 10 123.043 123.043 123.157 -0.114 25762 6517 1 10 . 1 1 10 10 VAL HA H 10 4.080 4.080 4.096 -0.016 25762 6518 1 10 . 1 1 10 10 VAL C C 10 175.887 175.887 176.154 -0.267 25762 6519 1 10 . 1 1 10 10 VAL CA C 10 62.159 62.159 62.464 -0.305 25762 6520 1 10 . 1 1 10 10 VAL CB C 10 33.080 33.080 33.090 -0.010 25762 6521 1 10 . 1 1 10 10 VAL H H 10 8.206 8.206 8.388 -0.182 25762 6522 1 10 . 1 1 11 11 LYS N N 11 126.952 126.952 125.807 1.145 25762 6523 1 10 . 1 1 11 11 LYS HA H 11 4.320 4.320 4.331 -0.011 25762 6524 1 10 . 1 1 11 11 LYS C C 11 176.257 176.257 176.704 -0.447 25762 6525 1 10 . 1 1 11 11 LYS CA C 11 56.085 56.085 56.623 -0.538 25762 6526 1 10 . 1 1 11 11 LYS CB C 11 33.320 33.320 32.765 0.555 25762 6527 1 10 . 1 1 11 11 LYS H H 11 8.433 8.433 8.412 0.021 25762 6528 1 10 . 1 1 12 12 LYS N N 12 125.023 125.023 122.441 2.582 25762 6529 1 10 . 1 1 12 12 LYS HA H 12 4.260 4.260 3.987 0.273 25762 6530 1 10 . 1 1 12 12 LYS C C 12 176.306 176.306 175.649 0.657 25762 6531 1 10 . 1 1 12 12 LYS CA C 12 56.605 56.605 57.276 -0.671 25762 6532 1 10 . 1 1 12 12 LYS CB C 12 33.443 33.443 31.358 2.085 25762 6533 1 10 . 1 1 12 12 LYS H H 12 8.446 8.446 8.871 -0.425 25762 6534 1 10 . 1 1 13 13 SER N N 13 117.836 117.836 115.189 2.647 25762 6535 1 10 . 1 1 13 13 SER HA H 13 4.460 4.460 4.759 -0.299 25762 6536 1 10 . 1 1 13 13 SER C C 13 174.456 174.456 173.281 1.175 25762 6537 1 10 . 1 1 13 13 SER CA C 13 57.950 57.950 57.977 -0.027 25762 6538 1 10 . 1 1 13 13 SER CB C 13 64.048 64.048 66.806 -2.758 25762 6539 1 10 . 1 1 13 13 SER H H 13 8.353 8.353 8.338 0.015 25762 6540 1 10 . 1 1 14 14 ASP N N 14 124.256 124.256 125.271 -1.015 25762 6541 1 10 . 1 1 14 14 ASP HA H 14 4.570 4.570 4.902 -0.332 25762 6542 1 10 . 1 1 14 14 ASP C C 14 175.559 175.559 176.845 -1.286 25762 6543 1 10 . 1 1 14 14 ASP CA C 14 54.045 54.045 53.605 0.440 25762 6544 1 10 . 1 1 14 14 ASP CB C 14 41.037 41.037 41.962 -0.925 25762 6545 1 10 . 1 1 14 14 ASP H H 14 8.479 8.479 8.779 -0.300 25762 6546 1 10 . 1 1 15 15 CYS N N 15 117.954 117.954 121.609 -3.655 25762 6547 1 10 . 1 1 15 15 CYS HA H 15 4.650 4.650 4.053 0.597 25762 6548 1 10 . 1 1 15 15 CYS C C 15 175.354 175.354 175.460 -0.106 25762 6549 1 10 . 1 1 15 15 CYS CA C 15 55.413 55.413 60.066 -4.653 25762 6550 1 10 . 1 1 15 15 CYS CB C 15 43.497 43.497 26.771 16.726 25762 6551 1 10 . 1 1 15 15 CYS H H 15 7.901 7.901 9.149 -1.248 25762 6552 1 10 . 1 1 16 16 GLY N N 16 112.694 112.694 108.865 3.829 25762 6553 1 10 . 1 1 16 16 GLY C C 16 172.300 172.300 171.661 0.639 25762 6554 1 10 . 1 1 16 16 GLY CA C 16 44.224 44.224 44.618 -0.394 25762 6555 1 10 . 1 1 16 16 GLY H H 16 8.447 8.447 8.115 0.332 25762 6556 1 10 . 1 1 17 17 GLU N N 17 118.500 118.500 120.767 -2.267 25762 6557 1 10 . 1 1 17 17 GLU HA H 17 4.090 4.090 4.320 -0.230 25762 6558 1 10 . 1 1 17 17 GLU C C 17 177.571 177.571 176.070 1.501 25762 6559 1 10 . 1 1 17 17 GLU CA C 17 55.900 55.900 53.836 2.064 25762 6560 1 10 . 1 1 17 17 GLU CB C 17 30.500 30.500 31.438 -0.938 25762 6561 1 10 . 1 1 17 17 GLU H H 17 8.250 8.250 8.184 0.066 25762 6562 1 10 . 1 1 18 18 TRP N N 18 122.718 122.718 121.750 0.968 25762 6563 1 10 . 1 1 18 18 TRP HA H 18 4.040 4.040 4.553 -0.513 25762 6564 1 10 . 1 1 18 18 TRP C C 18 176.310 176.310 176.533 -0.223 25762 6565 1 10 . 1 1 18 18 TRP CA C 18 58.515 58.515 56.983 1.532 25762 6566 1 10 . 1 1 18 18 TRP CB C 18 30.365 30.365 29.260 1.105 25762 6567 1 10 . 1 1 18 18 TRP H H 18 8.319 8.319 8.395 -0.076 25762 6568 1 10 . 1 1 19 19 GLN N N 19 123.305 123.305 121.808 1.497 25762 6569 1 10 . 1 1 19 19 GLN HA H 19 4.530 4.530 4.485 0.045 25762 6570 1 10 . 1 1 19 19 GLN C C 19 175.571 175.571 175.035 0.536 25762 6571 1 10 . 1 1 19 19 GLN CA C 19 54.186 54.186 55.036 -0.850 25762 6572 1 10 . 1 1 19 19 GLN CB C 19 29.897 29.897 29.913 -0.017 25762 6573 1 10 . 1 1 19 19 GLN H H 19 9.140 9.140 8.873 0.267 25762 6574 1 10 . 1 1 20 20 TRP N N 20 125.311 125.311 126.092 -0.781 25762 6575 1 10 . 1 1 20 20 TRP HA H 20 5.290 5.290 4.946 0.344 25762 6576 1 10 . 1 1 20 20 TRP C C 20 177.596 177.596 176.587 1.009 25762 6577 1 10 . 1 1 20 20 TRP CA C 20 56.651 56.651 56.259 0.392 25762 6578 1 10 . 1 1 20 20 TRP CB C 20 32.720 32.720 31.374 1.346 25762 6579 1 10 . 1 1 20 20 TRP H H 20 8.783 8.783 8.628 0.155 25762 6580 1 10 . 1 1 21 21 SER N N 21 120.041 120.041 117.832 2.209 25762 6581 1 10 . 1 1 21 21 SER HA H 21 4.440 4.440 4.922 -0.482 25762 6582 1 10 . 1 1 21 21 SER C C 21 173.795 173.795 173.211 0.584 25762 6583 1 10 . 1 1 21 21 SER CA C 21 57.292 57.292 56.915 0.377 25762 6584 1 10 . 1 1 21 21 SER CB C 21 65.435 65.435 64.787 0.648 25762 6585 1 10 . 1 1 21 21 SER H H 21 9.173 9.173 8.750 0.423 25762 6586 1 10 . 1 1 22 22 VAL N N 22 115.336 115.336 116.883 -1.547 25762 6587 1 10 . 1 1 22 22 VAL HA H 22 4.130 4.130 4.290 -0.160 25762 6588 1 10 . 1 1 22 22 VAL C C 22 175.183 175.183 175.446 -0.263 25762 6589 1 10 . 1 1 22 22 VAL CA C 22 62.008 62.008 60.608 1.400 25762 6590 1 10 . 1 1 22 22 VAL CB C 22 32.859 32.859 33.781 -0.922 25762 6591 1 10 . 1 1 22 22 VAL H H 22 8.099 8.099 8.212 -0.113 25762 6592 1 10 . 1 1 23 23 CYS N N 23 122.154 122.154 124.985 -2.831 25762 6593 1 10 . 1 1 23 23 CYS HA H 23 4.330 4.330 4.324 0.006 25762 6594 1 10 . 1 1 23 23 CYS C C 23 173.335 173.335 175.109 -1.774 25762 6595 1 10 . 1 1 23 23 CYS CA C 23 56.598 56.598 58.752 -2.154 25762 6596 1 10 . 1 1 23 23 CYS CB C 23 42.166 42.166 25.029 17.137 25762 6597 1 10 . 1 1 23 23 CYS H H 23 8.433 8.433 8.458 -0.025 25762 6598 1 10 . 1 1 24 24 VAL N N 24 133.008 133.008 126.637 6.371 25762 6599 1 10 . 1 1 24 24 VAL HA H 24 4.260 4.260 4.740 -0.480 25762 6600 1 10 . 1 1 24 24 VAL CA C 24 59.409 59.409 58.179 1.230 25762 6601 1 10 . 1 1 24 24 VAL CB C 24 33.572 33.572 33.941 -0.369 25762 6602 1 10 . 1 1 24 24 VAL H H 24 8.790 8.790 8.296 0.494 25762 6603 1 10 . 1 1 25 25 PRO HA H 25 4.380 4.380 4.603 -0.223 25762 6604 1 10 . 1 1 25 25 PRO C C 25 176.853 176.853 176.587 0.266 25762 6605 1 10 . 1 1 25 25 PRO CA C 25 62.700 62.700 62.658 0.042 25762 6606 1 10 . 1 1 25 25 PRO CB C 25 31.600 31.600 32.601 -1.001 25762 6607 1 10 . 1 1 26 26 THR N N 26 121.729 121.729 116.339 5.390 25762 6608 1 10 . 1 1 26 26 THR HA H 26 3.970 3.970 4.408 -0.438 25762 6609 1 10 . 1 1 26 26 THR C C 26 174.891 174.891 174.894 -0.003 25762 6610 1 10 . 1 1 26 26 THR CA C 26 65.598 65.598 63.704 1.894 25762 6611 1 10 . 1 1 26 26 THR CB C 26 69.136 69.136 69.673 -0.537 25762 6612 1 10 . 1 1 26 26 THR H H 26 9.199 9.199 8.470 0.729 25762 6613 1 10 . 1 1 27 27 SER N N 27 115.495 115.495 115.431 0.064 25762 6614 1 10 . 1 1 27 27 SER HA H 27 4.590 4.590 4.647 -0.057 25762 6615 1 10 . 1 1 27 27 SER C C 27 173.700 173.700 175.593 -1.893 25762 6616 1 10 . 1 1 27 27 SER CA C 27 57.326 57.326 57.398 -0.072 25762 6617 1 10 . 1 1 27 27 SER CB C 27 64.749 64.749 64.119 0.630 25762 6618 1 10 . 1 1 27 27 SER H H 27 8.676 8.676 7.725 0.951 25762 6619 1 10 . 1 1 28 28 GLY N N 28 111.492 111.492 109.831 1.661 25762 6620 1 10 . 1 1 28 28 GLY C C 28 173.803 173.803 174.767 -0.964 25762 6621 1 10 . 1 1 28 28 GLY CA C 28 45.965 45.965 46.437 -0.472 25762 6622 1 10 . 1 1 28 28 GLY H H 28 8.482 8.482 8.806 -0.324 25762 6623 1 10 . 1 1 29 29 ASP N N 29 118.893 118.893 118.350 0.543 25762 6624 1 10 . 1 1 29 29 ASP HA H 29 4.750 4.750 4.756 -0.006 25762 6625 1 10 . 1 1 29 29 ASP C C 29 175.806 175.806 175.097 0.709 25762 6626 1 10 . 1 1 29 29 ASP CA C 29 53.476 53.476 54.015 -0.539 25762 6627 1 10 . 1 1 29 29 ASP CB C 29 42.140 42.140 43.049 -0.909 25762 6628 1 10 . 1 1 29 29 ASP H H 29 8.412 8.412 8.290 0.122 25762 6629 1 10 . 1 1 30 30 CYS N N 30 113.937 113.937 120.435 -6.498 25762 6630 1 10 . 1 1 30 30 CYS HA H 30 3.840 3.840 4.746 -0.906 25762 6631 1 10 . 1 1 30 30 CYS C C 30 170.767 170.767 172.930 -2.163 25762 6632 1 10 . 1 1 30 30 CYS CA C 30 56.060 56.060 59.275 -3.215 25762 6633 1 10 . 1 1 30 30 CYS CB C 30 47.900 47.900 27.632 20.268 25762 6634 1 10 . 1 1 30 30 CYS H H 30 7.983 7.983 7.784 0.199 25762 6635 1 10 . 1 1 31 31 GLY N N 31 110.972 110.972 113.453 -2.481 25762 6636 1 10 . 1 1 31 31 GLY C C 31 173.804 173.804 173.357 0.447 25762 6637 1 10 . 1 1 31 31 GLY CA C 31 44.043 44.043 44.578 -0.535 25762 6638 1 10 . 1 1 31 31 GLY H H 31 9.376 9.376 7.894 1.482 25762 6639 1 10 . 1 1 32 32 LEU N N 32 123.077 123.077 121.502 1.575 25762 6640 1 10 . 1 1 32 32 LEU HA H 32 4.440 4.440 4.234 0.206 25762 6641 1 10 . 1 1 32 32 LEU C C 32 177.802 177.802 177.707 0.095 25762 6642 1 10 . 1 1 32 32 LEU CA C 32 55.904 55.904 55.050 0.854 25762 6643 1 10 . 1 1 32 32 LEU CB C 32 42.825 42.825 41.714 1.111 25762 6644 1 10 . 1 1 32 32 LEU H H 32 8.493 8.493 8.487 0.006 25762 6645 1 10 . 1 1 33 33 GLY N N 33 110.436 110.436 108.951 1.485 25762 6646 1 10 . 1 1 33 33 GLY C C 33 174.279 174.279 173.493 0.786 25762 6647 1 10 . 1 1 33 33 GLY CA C 33 45.930 45.930 44.234 1.696 25762 6648 1 10 . 1 1 33 33 GLY H H 33 8.658 8.658 8.405 0.253 25762 6649 1 10 . 1 1 34 34 THR N N 34 113.118 113.118 115.515 -2.397 25762 6650 1 10 . 1 1 34 34 THR HA H 34 5.166 5.166 5.114 0.052 25762 6651 1 10 . 1 1 34 34 THR C C 34 173.246 173.246 172.807 0.439 25762 6652 1 10 . 1 1 34 34 THR CA C 34 60.776 60.776 61.939 -1.163 25762 6653 1 10 . 1 1 34 34 THR CB C 34 72.892 72.892 72.901 -0.009 25762 6654 1 10 . 1 1 34 34 THR H H 34 8.040 8.040 8.653 -0.613 25762 6655 1 10 . 1 1 35 35 ARG N N 35 120.371 120.371 122.809 -2.438 25762 6656 1 10 . 1 1 35 35 ARG HA H 35 4.980 4.980 4.798 0.182 25762 6657 1 10 . 1 1 35 35 ARG C C 35 173.802 173.802 173.536 0.266 25762 6658 1 10 . 1 1 35 35 ARG CA C 35 54.100 54.100 55.258 -1.158 25762 6659 1 10 . 1 1 35 35 ARG CB C 35 33.790 33.790 34.479 -0.689 25762 6660 1 10 . 1 1 35 35 ARG H H 35 9.104 9.104 9.091 0.013 25762 6661 1 10 . 1 1 36 36 GLU N N 36 122.259 122.259 124.594 -2.335 25762 6662 1 10 . 1 1 36 36 GLU HA H 36 5.160 5.160 5.172 -0.012 25762 6663 1 10 . 1 1 36 36 GLU C C 36 175.960 175.960 175.774 0.186 25762 6664 1 10 . 1 1 36 36 GLU CA C 36 55.209 55.209 55.397 -0.188 25762 6665 1 10 . 1 1 36 36 GLU CB C 36 32.652 32.652 32.517 0.135 25762 6666 1 10 . 1 1 36 36 GLU H H 36 8.750 8.750 8.692 0.058 25762 6667 1 10 . 1 1 37 37 GLY N N 37 116.895 116.895 111.386 5.509 25762 6668 1 10 . 1 1 37 37 GLY C C 37 173.097 173.097 172.754 0.343 25762 6669 1 10 . 1 1 37 37 GLY CA C 37 44.195 44.195 44.043 0.152 25762 6670 1 10 . 1 1 37 37 GLY H H 37 9.479 9.479 9.213 0.266 25762 6671 1 10 . 1 1 38 38 THR N N 38 114.848 114.848 114.594 0.254 25762 6672 1 10 . 1 1 38 38 THR HA H 38 5.540 5.540 5.439 0.101 25762 6673 1 10 . 1 1 38 38 THR C C 38 173.004 173.004 172.887 0.117 25762 6674 1 10 . 1 1 38 38 THR CA C 38 59.751 59.751 60.227 -0.476 25762 6675 1 10 . 1 1 38 38 THR CB C 38 72.666 72.666 72.258 0.408 25762 6676 1 10 . 1 1 38 38 THR H H 38 8.485 8.485 8.072 0.413 25762 6677 1 10 . 1 1 39 39 ARG N N 39 119.072 119.072 122.844 -3.772 25762 6678 1 10 . 1 1 39 39 ARG HA H 39 4.640 4.640 4.779 -0.139 25762 6679 1 10 . 1 1 39 39 ARG C C 39 174.649 174.649 173.845 0.804 25762 6680 1 10 . 1 1 39 39 ARG CA C 39 54.587 54.587 54.815 -0.227 25762 6681 1 10 . 1 1 39 39 ARG CB C 39 33.285 33.285 33.196 0.089 25762 6682 1 10 . 1 1 39 39 ARG H H 39 8.231 8.231 9.098 -0.867 25762 6683 1 10 . 1 1 40 40 THR N N 40 111.009 111.009 114.818 -3.809 25762 6684 1 10 . 1 1 40 40 THR HA H 40 4.440 4.440 5.038 -0.598 25762 6685 1 10 . 1 1 40 40 THR C C 40 173.890 173.890 174.592 -0.702 25762 6686 1 10 . 1 1 40 40 THR CA C 40 60.431 60.431 59.750 0.681 25762 6687 1 10 . 1 1 40 40 THR CB C 40 71.163 71.163 71.323 -0.160 25762 6688 1 10 . 1 1 40 40 THR H H 40 8.097 8.097 8.136 -0.039 25762 6689 1 10 . 1 1 41 41 GLY N N 41 110.094 110.094 107.875 2.219 25762 6690 1 10 . 1 1 41 41 GLY C C 41 174.489 174.489 174.281 0.208 25762 6691 1 10 . 1 1 41 41 GLY CA C 41 45.487 45.487 43.466 2.021 25762 6692 1 10 . 1 1 41 41 GLY H H 41 8.146 8.146 8.307 -0.161 25762 6693 1 10 . 1 1 42 42 ALA N N 42 130.030 130.030 120.918 9.112 25762 6694 1 10 . 1 1 42 42 ALA HA H 42 4.150 4.150 4.203 -0.053 25762 6695 1 10 . 1 1 42 42 ALA C C 42 179.063 179.063 178.352 0.711 25762 6696 1 10 . 1 1 42 42 ALA CA C 42 54.737 54.737 53.927 0.810 25762 6697 1 10 . 1 1 42 42 ALA CB C 42 19.258 19.258 18.863 0.395 25762 6698 1 10 . 1 1 42 42 ALA H H 42 8.844 8.844 8.321 0.523 25762 6699 1 10 . 1 1 43 43 GLU N N 43 116.721 116.721 116.394 0.327 25762 6700 1 10 . 1 1 43 43 GLU HA H 43 4.350 4.350 4.328 0.022 25762 6701 1 10 . 1 1 43 43 GLU C C 43 175.825 175.825 175.426 0.399 25762 6702 1 10 . 1 1 43 43 GLU CA C 43 54.964 54.964 55.818 -0.854 25762 6703 1 10 . 1 1 43 43 GLU CB C 43 29.372 29.372 29.200 0.172 25762 6704 1 10 . 1 1 43 43 GLU H H 43 9.070 9.070 8.224 0.846 25762 6705 1 10 . 1 1 44 44 CYS N N 44 120.031 120.031 115.386 4.645 25762 6706 1 10 . 1 1 44 44 CYS C C 44 174.887 174.887 174.666 0.221 25762 6707 1 10 . 1 1 44 44 CYS CA C 44 55.287 55.287 58.478 -3.191 25762 6708 1 10 . 1 1 44 44 CYS CB C 44 41.215 41.215 24.951 16.264 25762 6709 1 10 . 1 1 44 44 CYS H H 44 7.427 7.427 7.538 -0.111 25762 6710 1 10 . 1 1 45 45 LYS N N 45 127.192 127.192 119.043 8.149 25762 6711 1 10 . 1 1 45 45 LYS HA H 45 4.220 4.220 4.253 -0.033 25762 6712 1 10 . 1 1 45 45 LYS C C 45 176.464 176.464 176.553 -0.089 25762 6713 1 10 . 1 1 45 45 LYS CA C 45 57.793 57.793 56.670 1.123 25762 6714 1 10 . 1 1 45 45 LYS CB C 45 32.251 32.251 33.177 -0.926 25762 6715 1 10 . 1 1 45 45 LYS H H 45 8.655 8.655 7.959 0.696 25762 6716 1 10 . 1 1 46 46 GLN N N 46 119.454 119.454 117.424 2.030 25762 6717 1 10 . 1 1 46 46 GLN HA H 46 4.690 4.690 4.950 -0.260 25762 6718 1 10 . 1 1 46 46 GLN C C 46 175.524 175.524 175.464 0.060 25762 6719 1 10 . 1 1 46 46 GLN CA C 46 55.759 55.759 54.947 0.812 25762 6720 1 10 . 1 1 46 46 GLN CB C 46 29.672 29.672 31.719 -2.047 25762 6721 1 10 . 1 1 46 46 GLN H H 46 7.831 7.831 8.307 -0.476 25762 6722 1 10 . 1 1 47 47 THR N N 47 116.122 116.122 120.401 -4.279 25762 6723 1 10 . 1 1 47 47 THR HA H 47 4.701 4.701 4.691 0.010 25762 6724 1 10 . 1 1 47 47 THR C C 47 173.458 173.458 173.180 0.278 25762 6725 1 10 . 1 1 47 47 THR CA C 47 61.693 61.693 62.110 -0.417 25762 6726 1 10 . 1 1 47 47 THR CB C 47 69.773 69.773 70.634 -0.861 25762 6727 1 10 . 1 1 47 47 THR H H 47 8.633 8.633 9.052 -0.419 25762 6728 1 10 . 1 1 48 48 MET N N 48 121.378 121.378 124.241 -2.863 25762 6729 1 10 . 1 1 48 48 MET HA H 48 5.610 5.610 5.373 0.237 25762 6730 1 10 . 1 1 48 48 MET C C 48 174.850 174.850 175.089 -0.239 25762 6731 1 10 . 1 1 48 48 MET CA C 48 55.321 55.321 54.419 0.902 25762 6732 1 10 . 1 1 48 48 MET CB C 48 36.529 36.529 36.807 -0.278 25762 6733 1 10 . 1 1 48 48 MET H H 48 7.838 7.838 8.682 -0.844 25762 6734 1 10 . 1 1 49 49 LYS N N 49 123.748 123.748 121.353 2.395 25762 6735 1 10 . 1 1 49 49 LYS HA H 49 4.560 4.560 4.952 -0.392 25762 6736 1 10 . 1 1 49 49 LYS C C 49 173.773 173.773 174.751 -0.978 25762 6737 1 10 . 1 1 49 49 LYS CA C 49 55.899 55.899 55.267 0.632 25762 6738 1 10 . 1 1 49 49 LYS CB C 49 36.032 36.032 36.743 -0.711 25762 6739 1 10 . 1 1 49 49 LYS H H 49 8.539 8.539 9.270 -0.731 25762 6740 1 10 . 1 1 50 50 THR N N 50 117.276 117.276 115.596 1.680 25762 6741 1 10 . 1 1 50 50 THR HA H 50 5.330 5.330 5.274 0.056 25762 6742 1 10 . 1 1 50 50 THR C C 50 174.047 174.047 173.914 0.133 25762 6743 1 10 . 1 1 50 50 THR CA C 50 61.169 61.169 60.261 0.908 25762 6744 1 10 . 1 1 50 50 THR CB C 50 71.019 71.019 71.060 -0.041 25762 6745 1 10 . 1 1 50 50 THR H H 50 8.416 8.416 8.277 0.139 25762 6746 1 10 . 1 1 51 51 GLN N N 51 123.996 123.996 124.257 -0.261 25762 6747 1 10 . 1 1 51 51 GLN HA H 51 4.680 4.680 4.684 -0.004 25762 6748 1 10 . 1 1 51 51 GLN C C 51 174.453 174.453 173.921 0.532 25762 6749 1 10 . 1 1 51 51 GLN CA C 51 54.079 54.079 54.581 -0.502 25762 6750 1 10 . 1 1 51 51 GLN CB C 51 34.352 34.352 33.223 1.129 25762 6751 1 10 . 1 1 51 51 GLN H H 51 9.034 9.034 9.128 -0.094 25762 6752 1 10 . 1 1 52 52 ARG N N 52 124.759 124.759 122.315 2.444 25762 6753 1 10 . 1 1 52 52 ARG HA H 52 4.600 4.600 4.835 -0.235 25762 6754 1 10 . 1 1 52 52 ARG C C 52 174.978 174.978 175.381 -0.403 25762 6755 1 10 . 1 1 52 52 ARG CA C 52 56.600 56.600 55.382 1.218 25762 6756 1 10 . 1 1 52 52 ARG CB C 52 30.812 30.812 30.539 0.273 25762 6757 1 10 . 1 1 52 52 ARG H H 52 8.520 8.520 8.464 0.056 25762 6758 1 10 . 1 1 53 53 CYS N N 53 120.158 120.158 123.905 -3.747 25762 6759 1 10 . 1 1 53 53 CYS HA H 53 4.130 4.130 4.733 -0.603 25762 6760 1 10 . 1 1 53 53 CYS C C 53 170.755 170.755 174.262 -3.507 25762 6761 1 10 . 1 1 53 53 CYS CA C 53 54.574 54.574 58.437 -3.862 25762 6762 1 10 . 1 1 53 53 CYS CB C 53 47.178 47.178 29.508 17.670 25762 6763 1 10 . 1 1 53 53 CYS H H 53 8.167 8.167 8.635 -0.468 25762 6764 1 10 . 1 1 54 54 LYS N N 54 120.283 120.283 120.732 -0.449 25762 6765 1 10 . 1 1 54 54 LYS HA H 54 4.840 4.840 4.586 0.254 25762 6766 1 10 . 1 1 54 54 LYS C C 54 175.166 175.166 175.091 0.075 25762 6767 1 10 . 1 1 54 54 LYS CA C 54 55.611 55.611 55.523 0.089 25762 6768 1 10 . 1 1 54 54 LYS CB C 54 36.066 36.066 34.013 2.053 25762 6769 1 10 . 1 1 54 54 LYS H H 54 8.489 8.489 8.431 0.058 25762 6770 1 10 . 1 1 55 55 ILE N N 55 126.794 126.794 127.226 -0.432 25762 6771 1 10 . 1 1 55 55 ILE HA H 55 4.600 4.600 4.445 0.155 25762 6772 1 10 . 1 1 55 55 ILE CA C 55 57.299 57.299 57.935 -0.636 25762 6773 1 10 . 1 1 55 55 ILE CB C 55 41.759 41.759 38.718 3.041 25762 6774 1 10 . 1 1 55 55 ILE H H 55 8.673 8.673 8.575 0.098 25762 6775 1 10 . 1 1 56 56 PRO HA H 56 4.360 4.360 4.526 -0.166 25762 6776 1 10 . 1 1 56 56 PRO C C 56 176.748 176.748 176.616 0.132 25762 6777 1 10 . 1 1 56 56 PRO CA C 56 63.790 63.790 63.523 0.268 25762 6778 1 10 . 1 1 56 56 PRO CB C 56 32.200 32.200 32.303 -0.103 25762 6779 1 10 . 1 1 57 57 CYS N N 57 121.411 121.411 117.988 3.423 25762 6780 1 10 . 1 1 57 57 CYS HA H 57 4.160 4.160 4.286 -0.126 25762 6781 1 10 . 1 1 57 57 CYS C C 57 174.867 174.867 173.992 0.875 25762 6782 1 10 . 1 1 57 57 CYS CA C 57 54.490 54.490 58.897 -4.407 25762 6783 1 10 . 1 1 57 57 CYS CB C 57 43.090 43.090 27.498 15.591 25762 6784 1 10 . 1 1 57 57 CYS H H 57 8.782 8.782 8.207 0.575 25762 6785 1 10 . 1 1 58 58 ASN N N 58 120.918 120.918 121.433 -0.515 25762 6786 1 10 . 1 1 58 58 ASN HA H 58 4.620 4.620 4.791 -0.171 25762 6787 1 10 . 1 1 58 58 ASN C C 58 175.129 175.129 175.141 -0.012 25762 6788 1 10 . 1 1 58 58 ASN CA C 58 53.832 53.832 53.510 0.322 25762 6789 1 10 . 1 1 58 58 ASN CB C 58 38.634 38.634 38.289 0.345 25762 6790 1 10 . 1 1 58 58 ASN H H 58 8.551 8.551 8.579 -0.028 25762 6791 1 10 . 1 1 59 59 TRP N N 59 121.791 121.791 124.816 -3.025 25762 6792 1 10 . 1 1 59 59 TRP HA H 59 4.604 4.604 4.940 -0.336 25762 6793 1 10 . 1 1 59 59 TRP C C 59 176.374 176.374 174.928 1.446 25762 6794 1 10 . 1 1 59 59 TRP CA C 59 57.605 57.605 55.761 1.844 25762 6795 1 10 . 1 1 59 59 TRP CB C 59 29.487 29.487 30.634 -1.147 25762 6796 1 10 . 1 1 59 59 TRP H H 59 8.010 8.010 8.015 -0.005 25762 6797 1 10 . 1 1 60 60 LYS N N 60 122.289 122.289 123.212 -0.923 25762 6798 1 10 . 1 1 60 60 LYS HA H 60 4.070 4.070 4.602 -0.532 25762 6799 1 10 . 1 1 60 60 LYS C C 60 176.685 176.685 175.214 1.471 25762 6800 1 10 . 1 1 60 60 LYS CA C 60 56.926 56.926 57.022 -0.096 25762 6801 1 10 . 1 1 60 60 LYS CB C 60 32.877 32.877 33.087 -0.210 25762 6802 1 10 . 1 1 60 60 LYS H H 60 7.751 7.751 8.473 -0.722 25762 6803 1 10 . 1 1 61 61 LYS N N 61 121.691 121.691 123.549 -1.858 25762 6804 1 10 . 1 1 61 61 LYS HA H 61 4.160 4.160 4.477 -0.317 25762 6805 1 10 . 1 1 61 61 LYS C C 61 176.731 176.731 175.942 0.789 25762 6806 1 10 . 1 1 61 61 LYS CA C 61 56.804 56.804 57.113 -0.309 25762 6807 1 10 . 1 1 61 61 LYS CB C 61 32.910 32.910 33.392 -0.482 25762 6808 1 10 . 1 1 61 61 LYS H H 61 7.963 7.963 9.068 -1.105 25762 6809 1 10 . 1 1 62 62 GLN N N 62 120.611 120.611 119.051 1.560 25762 6810 1 10 . 1 1 62 62 GLN HA H 62 4.240 4.240 4.653 -0.413 25762 6811 1 10 . 1 1 62 62 GLN C C 62 175.696 175.696 174.671 1.025 25762 6812 1 10 . 1 1 62 62 GLN CA C 62 56.416 56.416 54.810 1.606 25762 6813 1 10 . 1 1 62 62 GLN CB C 62 29.722 29.722 28.869 0.853 25762 6814 1 10 . 1 1 62 62 GLN H H 62 8.177 8.177 8.475 -0.298 25762 6815 1 10 . 1 1 63 63 PHE N N 63 119.964 119.964 123.612 -3.648 25762 6816 1 10 . 1 1 63 63 PHE HA H 63 4.750 4.750 4.551 0.199 25762 6817 1 10 . 1 1 63 63 PHE C C 63 175.958 175.958 176.723 -0.765 25762 6818 1 10 . 1 1 63 63 PHE CA C 63 57.339 57.339 59.894 -2.555 25762 6819 1 10 . 1 1 63 63 PHE CB C 63 39.813 39.813 38.997 0.816 25762 6820 1 10 . 1 1 63 63 PHE H H 63 7.990 7.990 8.320 -0.330 25762 6821 1 10 . 1 1 64 64 GLY N N 64 110.674 110.674 115.343 -4.669 25762 6822 1 10 . 1 1 64 64 GLY C C 64 174.297 174.297 173.872 0.425 25762 6823 1 10 . 1 1 64 64 GLY CA C 64 45.306 45.306 44.744 0.562 25762 6824 1 10 . 1 1 64 64 GLY H H 64 8.427 8.427 8.594 -0.167 25762 6825 1 10 . 1 1 65 65 ALA N N 65 124.213 124.213 124.495 -0.282 25762 6826 1 10 . 1 1 65 65 ALA HA H 65 4.260 4.260 4.315 -0.055 25762 6827 1 10 . 1 1 65 65 ALA C C 65 178.028 178.028 178.291 -0.263 25762 6828 1 10 . 1 1 65 65 ALA CA C 65 53.400 53.400 53.813 -0.413 25762 6829 1 10 . 1 1 65 65 ALA CB C 65 19.372 19.372 19.171 0.201 25762 6830 1 10 . 1 1 65 65 ALA H H 65 8.316 8.316 7.751 0.565 25762 6831 1 10 . 1 1 66 66 GLU N N 66 117.489 117.489 115.534 1.955 25762 6832 1 10 . 1 1 66 66 GLU HA H 66 4.240 4.240 4.433 -0.193 25762 6833 1 10 . 1 1 66 66 GLU C C 66 175.127 175.127 176.780 -1.653 25762 6834 1 10 . 1 1 66 66 GLU CA C 66 57.205 57.205 56.057 1.148 25762 6835 1 10 . 1 1 66 66 GLU CB C 66 29.924 29.924 30.460 -0.536 25762 6836 1 10 . 1 1 66 66 GLU H H 66 8.697 8.697 8.410 0.287 25762 6837 1 10 . 1 1 67 67 CYS N N 67 119.305 119.305 119.688 -0.383 25762 6838 1 10 . 1 1 67 67 CYS HA H 67 4.310 4.310 4.471 -0.161 25762 6839 1 10 . 1 1 67 67 CYS C C 67 172.436 172.436 173.758 -1.322 25762 6840 1 10 . 1 1 67 67 CYS CA C 67 53.300 53.300 58.551 -5.251 25762 6841 1 10 . 1 1 67 67 CYS CB C 67 41.122 41.122 28.222 12.900 25762 6842 1 10 . 1 1 67 67 CYS H H 67 7.758 7.758 7.988 -0.230 25762 6843 1 10 . 1 1 68 68 LYS N N 68 123.248 123.248 123.655 -0.407 25762 6844 1 10 . 1 1 68 68 LYS HA H 68 4.680 4.680 4.473 0.207 25762 6845 1 10 . 1 1 68 68 LYS C C 68 174.804 174.804 174.499 0.305 25762 6846 1 10 . 1 1 68 68 LYS CA C 68 54.009 54.009 55.776 -1.766 25762 6847 1 10 . 1 1 68 68 LYS CB C 68 33.651 33.651 33.887 -0.236 25762 6848 1 10 . 1 1 68 68 LYS H H 68 8.174 8.174 8.336 -0.162 25762 6849 1 10 . 1 1 69 69 TYR N N 69 122.635 122.635 122.620 0.015 25762 6850 1 10 . 1 1 69 69 TYR HA H 69 4.410 4.410 4.482 -0.072 25762 6851 1 10 . 1 1 69 69 TYR C C 69 174.602 174.602 174.426 0.176 25762 6852 1 10 . 1 1 69 69 TYR CA C 69 58.204 58.204 56.886 1.318 25762 6853 1 10 . 1 1 69 69 TYR CB C 69 42.100 42.100 40.443 1.657 25762 6854 1 10 . 1 1 69 69 TYR H H 69 8.769 8.769 8.474 0.295 25762 6855 1 10 . 1 1 70 70 GLN N N 70 120.984 120.984 124.252 -3.268 25762 6856 1 10 . 1 1 70 70 GLN HA H 70 4.590 4.590 4.641 -0.051 25762 6857 1 10 . 1 1 70 70 GLN C C 70 175.634 175.634 174.213 1.421 25762 6858 1 10 . 1 1 70 70 GLN CA C 70 54.108 54.108 54.350 -0.242 25762 6859 1 10 . 1 1 70 70 GLN CB C 70 29.900 29.900 30.837 -0.938 25762 6860 1 10 . 1 1 70 70 GLN H H 70 8.573 8.573 8.511 0.062 25762 6861 1 10 . 1 1 71 71 PHE N N 71 127.389 127.389 124.434 2.955 25762 6862 1 10 . 1 1 71 71 PHE HA H 71 4.970 4.970 4.862 0.108 25762 6863 1 10 . 1 1 71 71 PHE C C 71 177.149 177.149 175.842 1.307 25762 6864 1 10 . 1 1 71 71 PHE CA C 71 58.976 58.976 57.168 1.808 25762 6865 1 10 . 1 1 71 71 PHE CB C 71 40.837 40.837 40.556 0.281 25762 6866 1 10 . 1 1 71 71 PHE H H 71 9.255 9.255 8.939 0.316 25762 6867 1 10 . 1 1 72 72 GLN N N 72 121.514 121.514 122.244 -0.730 25762 6868 1 10 . 1 1 72 72 GLN HA H 72 4.440 4.440 4.253 0.187 25762 6869 1 10 . 1 1 72 72 GLN C C 72 176.721 176.721 175.771 0.950 25762 6870 1 10 . 1 1 72 72 GLN CA C 72 54.707 54.707 55.411 -0.704 25762 6871 1 10 . 1 1 72 72 GLN CB C 72 29.983 29.983 30.223 -0.239 25762 6872 1 10 . 1 1 72 72 GLN H H 72 8.273 8.273 8.800 -0.527 25762 6873 1 10 . 1 1 73 73 ALA N N 73 122.414 122.414 123.728 -1.314 25762 6874 1 10 . 1 1 73 73 ALA HA H 73 4.220 4.220 4.217 0.003 25762 6875 1 10 . 1 1 73 73 ALA C C 73 178.776 178.776 177.167 1.609 25762 6876 1 10 . 1 1 73 73 ALA CA C 73 52.751 52.751 52.410 0.341 25762 6877 1 10 . 1 1 73 73 ALA CB C 73 19.559 19.559 18.173 1.386 25762 6878 1 10 . 1 1 73 73 ALA H H 73 8.293 8.293 8.506 -0.213 25762 6879 1 10 . 1 1 74 74 TRP N N 74 120.412 120.412 123.394 -2.982 25762 6880 1 10 . 1 1 74 74 TRP HA H 74 4.260 4.260 4.574 -0.314 25762 6881 1 10 . 1 1 74 74 TRP C C 74 178.290 178.290 177.122 1.168 25762 6882 1 10 . 1 1 74 74 TRP CA C 74 58.982 58.982 56.962 2.020 25762 6883 1 10 . 1 1 74 74 TRP CB C 74 30.633 30.633 29.588 1.045 25762 6884 1 10 . 1 1 74 74 TRP H H 74 8.136 8.136 8.803 -0.667 25762 6885 1 10 . 1 1 75 75 GLY N N 75 109.881 109.881 107.157 2.724 25762 6886 1 10 . 1 1 75 75 GLY C C 75 177.700 177.700 173.630 4.070 25762 6887 1 10 . 1 1 75 75 GLY CA C 75 44.287 44.287 45.006 -0.719 25762 6888 1 10 . 1 1 75 75 GLY H H 75 8.763 8.763 8.480 0.283 25762 6889 1 10 . 1 1 76 76 GLU N N 76 116.900 116.900 118.573 -1.673 25762 6890 1 10 . 1 1 76 76 GLU HA H 76 4.230 4.230 4.647 -0.417 25762 6891 1 10 . 1 1 76 76 GLU C C 76 177.770 177.770 176.303 1.467 25762 6892 1 10 . 1 1 76 76 GLU CA C 76 55.700 55.700 54.447 1.253 25762 6893 1 10 . 1 1 76 76 GLU CB C 76 30.600 30.600 31.844 -1.244 25762 6894 1 10 . 1 1 76 76 GLU H H 76 8.400 8.400 8.023 0.377 25762 6895 1 10 . 1 1 77 77 CYS N N 77 121.846 121.846 121.840 0.006 25762 6896 1 10 . 1 1 77 77 CYS HA H 77 4.150 4.150 4.400 -0.250 25762 6897 1 10 . 1 1 77 77 CYS C C 77 174.117 174.117 175.020 -0.903 25762 6898 1 10 . 1 1 77 77 CYS CA C 77 56.706 56.706 58.366 -1.660 25762 6899 1 10 . 1 1 77 77 CYS CB C 77 41.056 41.056 27.637 13.419 25762 6900 1 10 . 1 1 77 77 CYS H H 77 8.980 8.980 8.697 0.283 25762 6901 1 10 . 1 1 78 78 ASP N N 78 131.728 131.728 124.052 7.676 25762 6902 1 10 . 1 1 78 78 ASP HA H 78 3.370 3.370 4.848 -1.478 25762 6903 1 10 . 1 1 78 78 ASP C C 78 176.890 176.890 176.730 0.160 25762 6904 1 10 . 1 1 78 78 ASP CA C 78 53.492 53.492 54.151 -0.659 25762 6905 1 10 . 1 1 78 78 ASP CB C 78 41.819 41.819 40.685 1.134 25762 6906 1 10 . 1 1 78 78 ASP H H 78 8.279 8.279 8.834 -0.555 25762 6907 1 10 . 1 1 79 79 LEU N N 79 127.191 127.191 125.425 1.766 25762 6908 1 10 . 1 1 79 79 LEU HA H 79 3.990 3.990 4.047 -0.057 25762 6909 1 10 . 1 1 79 79 LEU C C 79 178.627 178.627 177.905 0.722 25762 6910 1 10 . 1 1 79 79 LEU CA C 79 57.179 57.179 57.478 -0.299 25762 6911 1 10 . 1 1 79 79 LEU CB C 79 41.642 41.642 41.771 -0.129 25762 6912 1 10 . 1 1 79 79 LEU H H 79 8.763 8.763 8.187 0.576 25762 6913 1 10 . 1 1 80 80 ASN N N 80 116.238 116.238 117.229 -0.991 25762 6914 1 10 . 1 1 80 80 ASN HA H 80 4.590 4.590 4.563 0.027 25762 6915 1 10 . 1 1 80 80 ASN C C 80 176.905 176.905 176.306 0.599 25762 6916 1 10 . 1 1 80 80 ASN CA C 80 55.800 55.800 55.197 0.603 25762 6917 1 10 . 1 1 80 80 ASN CB C 80 39.151 39.151 38.298 0.853 25762 6918 1 10 . 1 1 80 80 ASN H H 80 8.746 8.746 8.322 0.424 25762 6919 1 10 . 1 1 81 81 THR N N 81 108.459 108.459 110.992 -2.533 25762 6920 1 10 . 1 1 81 81 THR HA H 81 4.240 4.240 4.397 -0.157 25762 6921 1 10 . 1 1 81 81 THR C C 81 174.727 174.727 174.937 -0.210 25762 6922 1 10 . 1 1 81 81 THR CA C 81 61.540 61.540 61.139 0.401 25762 6923 1 10 . 1 1 81 81 THR CB C 81 70.900 70.900 70.035 0.865 25762 6924 1 10 . 1 1 81 81 THR H H 81 7.666 7.666 7.436 0.230 25762 6925 1 10 . 1 1 82 82 ALA N N 82 122.870 122.870 122.164 0.706 25762 6926 1 10 . 1 1 82 82 ALA HA H 82 3.820 3.820 4.025 -0.205 25762 6927 1 10 . 1 1 82 82 ALA C C 82 176.506 176.506 175.562 0.944 25762 6928 1 10 . 1 1 82 82 ALA CA C 82 53.603 53.603 53.538 0.065 25762 6929 1 10 . 1 1 82 82 ALA CB C 82 17.013 17.013 17.389 -0.376 25762 6930 1 10 . 1 1 82 82 ALA H H 82 8.687 8.687 8.116 0.571 25762 6931 1 10 . 1 1 83 83 LEU N N 83 117.374 117.374 115.668 1.706 25762 6932 1 10 . 1 1 83 83 LEU HA H 83 5.031 5.031 4.971 0.060 25762 6933 1 10 . 1 1 83 83 LEU C C 83 177.616 177.616 175.285 2.331 25762 6934 1 10 . 1 1 83 83 LEU CA C 83 54.098 54.098 53.256 0.842 25762 6935 1 10 . 1 1 83 83 LEU CB C 83 46.622 46.622 46.380 0.242 25762 6936 1 10 . 1 1 83 83 LEU H H 83 7.353 7.353 7.565 -0.212 25762 6937 1 10 . 1 1 84 84 LYS N N 84 122.053 122.053 121.253 0.800 25762 6938 1 10 . 1 1 84 84 LYS HA H 84 4.940 4.940 4.723 0.217 25762 6939 1 10 . 1 1 84 84 LYS C C 84 175.449 175.449 174.893 0.556 25762 6940 1 10 . 1 1 84 84 LYS CA C 84 54.287 54.287 55.190 -0.903 25762 6941 1 10 . 1 1 84 84 LYS CB C 84 36.060 36.060 35.999 0.061 25762 6942 1 10 . 1 1 84 84 LYS H H 84 9.043 9.043 9.173 -0.130 25762 6943 1 10 . 1 1 85 85 THR N N 85 114.896 114.896 117.821 -2.925 25762 6944 1 10 . 1 1 85 85 THR HA H 85 5.820 5.820 5.492 0.328 25762 6945 1 10 . 1 1 85 85 THR C C 85 174.123 174.123 174.159 -0.036 25762 6946 1 10 . 1 1 85 85 THR CA C 85 61.226 61.226 60.512 0.714 25762 6947 1 10 . 1 1 85 85 THR CB C 85 72.857 72.857 71.164 1.693 25762 6948 1 10 . 1 1 85 85 THR H H 85 9.011 9.011 8.601 0.410 25762 6949 1 10 . 1 1 86 86 ARG N N 86 123.804 123.804 123.074 0.730 25762 6950 1 10 . 1 1 86 86 ARG C C 86 173.792 173.792 174.438 -0.646 25762 6951 1 10 . 1 1 86 86 ARG CA C 86 56.720 56.720 55.057 1.663 25762 6952 1 10 . 1 1 86 86 ARG CB C 86 33.185 33.185 34.310 -1.125 25762 6953 1 10 . 1 1 86 86 ARG H H 86 9.056 9.056 8.859 0.197 25762 6954 1 10 . 1 1 87 87 THR N N 87 117.796 117.796 118.837 -1.041 25762 6955 1 10 . 1 1 87 87 THR HA H 87 5.270 5.270 5.600 -0.330 25762 6956 1 10 . 1 1 87 87 THR C C 87 173.939 173.939 173.557 0.382 25762 6957 1 10 . 1 1 87 87 THR CA C 87 61.003 61.003 61.114 -0.111 25762 6958 1 10 . 1 1 87 87 THR CB C 87 71.091 71.091 71.954 -0.863 25762 6959 1 10 . 1 1 87 87 THR H H 87 8.387 8.387 8.634 -0.247 25762 6960 1 10 . 1 1 88 88 GLY N N 88 112.501 112.501 110.578 1.923 25762 6961 1 10 . 1 1 88 88 GLY C C 88 171.645 171.645 171.931 -0.286 25762 6962 1 10 . 1 1 88 88 GLY CA C 88 44.657 44.657 43.653 1.004 25762 6963 1 10 . 1 1 88 88 GLY H H 88 9.074 9.074 8.514 0.560 25762 6964 1 10 . 1 1 89 89 SER N N 89 115.802 115.802 117.160 -1.358 25762 6965 1 10 . 1 1 89 89 SER HA H 89 5.260 5.260 5.417 -0.157 25762 6966 1 10 . 1 1 89 89 SER C C 89 174.767 174.767 174.558 0.209 25762 6967 1 10 . 1 1 89 89 SER CA C 89 56.512 56.512 55.755 0.757 25762 6968 1 10 . 1 1 89 89 SER CB C 89 65.434 65.434 65.178 0.256 25762 6969 1 10 . 1 1 89 89 SER H H 89 8.217 8.217 8.899 -0.682 25762 6970 1 10 . 1 1 90 90 LEU N N 90 128.595 128.595 127.891 0.704 25762 6971 1 10 . 1 1 90 90 LEU HA H 90 3.420 3.420 4.401 -0.981 25762 6972 1 10 . 1 1 90 90 LEU C C 90 176.399 176.399 177.698 -1.299 25762 6973 1 10 . 1 1 90 90 LEU CA C 90 56.558 56.558 54.745 1.813 25762 6974 1 10 . 1 1 90 90 LEU CB C 90 43.006 43.006 41.953 1.053 25762 6975 1 10 . 1 1 90 90 LEU H H 90 8.555 8.555 8.335 0.220 25762 6976 1 10 . 1 1 91 91 LYS N N 91 128.646 128.646 126.398 2.248 25762 6977 1 10 . 1 1 91 91 LYS HA H 91 4.330 4.330 4.219 0.111 25762 6978 1 10 . 1 1 91 91 LYS C C 91 176.318 176.318 176.085 0.233 25762 6979 1 10 . 1 1 91 91 LYS CA C 91 56.103 56.103 58.093 -1.990 25762 6980 1 10 . 1 1 91 91 LYS CB C 91 33.565 33.565 32.881 0.684 25762 6981 1 10 . 1 1 91 91 LYS H H 91 9.065 9.065 8.564 0.501 25762 6982 1 10 . 1 1 92 92 ARG N N 92 118.834 118.834 117.681 1.153 25762 6983 1 10 . 1 1 92 92 ARG HA H 92 4.220 4.220 4.473 -0.253 25762 6984 1 10 . 1 1 92 92 ARG C C 92 173.259 173.259 174.503 -1.244 25762 6985 1 10 . 1 1 92 92 ARG CA C 92 56.259 56.259 55.079 1.180 25762 6986 1 10 . 1 1 92 92 ARG CB C 92 32.623 32.623 31.680 0.943 25762 6987 1 10 . 1 1 92 92 ARG H H 92 7.641 7.641 7.690 -0.049 25762 6988 1 10 . 1 1 93 93 ALA N N 93 127.574 127.574 123.753 3.821 25762 6989 1 10 . 1 1 93 93 ALA HA H 93 4.870 4.870 4.281 0.589 25762 6990 1 10 . 1 1 93 93 ALA C C 93 177.037 177.037 176.646 0.391 25762 6991 1 10 . 1 1 93 93 ALA CA C 93 50.949 50.949 51.383 -0.434 25762 6992 1 10 . 1 1 93 93 ALA CB C 93 21.664 21.664 19.642 2.022 25762 6993 1 10 . 1 1 93 93 ALA H H 93 8.451 8.451 8.031 0.420 25762 6994 1 10 . 1 1 94 94 LEU N N 94 123.296 123.296 120.314 2.982 25762 6995 1 10 . 1 1 94 94 LEU HA H 94 4.250 4.250 4.298 -0.048 25762 6996 1 10 . 1 1 94 94 LEU C C 94 177.256 177.256 177.235 0.021 25762 6997 1 10 . 1 1 94 94 LEU CA C 94 55.137 55.137 54.286 0.851 25762 6998 1 10 . 1 1 94 94 LEU CB C 94 42.697 42.697 42.957 -0.260 25762 6999 1 10 . 1 1 94 94 LEU H H 94 8.654 8.654 8.133 0.521 25762 7000 1 10 . 1 1 95 95 HIS N N 95 116.413 116.413 117.720 -1.307 25762 7001 1 10 . 1 1 95 95 HIS HA H 95 4.430 4.430 4.590 -0.160 25762 7002 1 10 . 1 1 95 95 HIS C C 95 174.801 174.801 175.668 -0.867 25762 7003 1 10 . 1 1 95 95 HIS CA C 95 56.400 56.400 57.814 -1.414 25762 7004 1 10 . 1 1 95 95 HIS CB C 95 28.218 28.218 30.399 -2.181 25762 7005 1 10 . 1 1 95 95 HIS H H 95 8.642 8.642 8.570 0.072 25762 7006 1 10 . 1 1 96 96 ASN N N 96 115.824 115.824 116.262 -0.438 25762 7007 1 10 . 1 1 96 96 ASN HA H 96 4.450 4.450 4.811 -0.361 25762 7008 1 10 . 1 1 96 96 ASN C C 96 175.026 175.026 173.748 1.278 25762 7009 1 10 . 1 1 96 96 ASN CA C 96 53.692 53.692 53.256 0.436 25762 7010 1 10 . 1 1 96 96 ASN CB C 96 38.056 38.056 38.786 -0.730 25762 7011 1 10 . 1 1 96 96 ASN H H 96 8.461 8.461 8.660 -0.199 25762 7012 1 10 . 1 1 97 97 ALA N N 97 122.558 122.558 122.366 0.192 25762 7013 1 10 . 1 1 97 97 ALA HA H 97 4.130 4.130 4.290 -0.160 25762 7014 1 10 . 1 1 97 97 ALA C C 97 177.337 177.337 175.384 1.953 25762 7015 1 10 . 1 1 97 97 ALA CA C 97 53.430 53.430 52.062 1.368 25762 7016 1 10 . 1 1 97 97 ALA CB C 97 20.204 20.204 20.691 -0.487 25762 7017 1 10 . 1 1 97 97 ALA H H 97 7.791 7.791 7.320 0.471 25762 7018 1 10 . 1 1 98 98 GLU N N 98 120.504 120.504 124.298 -3.794 25762 7019 1 10 . 1 1 98 98 GLU HA H 98 4.320 4.320 4.603 -0.283 25762 7020 1 10 . 1 1 98 98 GLU C C 98 176.154 176.154 175.662 0.492 25762 7021 1 10 . 1 1 98 98 GLU CA C 98 56.630 56.630 56.157 0.472 25762 7022 1 10 . 1 1 98 98 GLU CB C 98 29.496 29.496 30.019 -0.523 25762 7023 1 10 . 1 1 98 98 GLU H H 98 8.478 8.478 8.558 -0.080 25762 7024 1 10 . 1 1 99 99 CYS N N 99 122.399 122.399 123.166 -0.767 25762 7025 1 10 . 1 1 99 99 CYS HA H 99 4.820 4.820 4.938 -0.118 25762 7026 1 10 . 1 1 99 99 CYS C C 99 174.711 174.711 174.798 -0.087 25762 7027 1 10 . 1 1 99 99 CYS CA C 99 53.985 53.985 58.446 -4.460 25762 7028 1 10 . 1 1 99 99 CYS CB C 99 44.177 44.177 29.317 14.860 25762 7029 1 10 . 1 1 99 99 CYS H H 99 7.978 7.978 8.705 -0.727 25762 7030 1 10 . 1 1 100 100 GLN N N 100 123.539 123.539 123.650 -0.111 25762 7031 1 10 . 1 1 100 100 GLN HA H 100 4.300 4.300 4.383 -0.083 25762 7032 1 10 . 1 1 100 100 GLN C C 100 178.317 178.317 176.315 2.002 25762 7033 1 10 . 1 1 100 100 GLN CA C 100 56.157 56.157 56.150 0.007 25762 7034 1 10 . 1 1 100 100 GLN CB C 100 29.303 29.303 30.110 -0.807 25762 7035 1 10 . 1 1 100 100 GLN H H 100 8.864 8.864 8.568 0.296 25762 7036 1 10 . 1 1 101 101 LYS N N 101 125.153 125.153 121.631 3.522 25762 7037 1 10 . 1 1 101 101 LYS HA H 101 4.020 4.020 4.266 -0.246 25762 7038 1 10 . 1 1 101 101 LYS C C 101 176.669 176.669 176.033 0.636 25762 7039 1 10 . 1 1 101 101 LYS CA C 101 59.876 59.876 58.081 1.795 25762 7040 1 10 . 1 1 101 101 LYS CB C 101 32.760 32.760 32.775 -0.015 25762 7041 1 10 . 1 1 101 101 LYS H H 101 9.063 9.063 8.490 0.573 25762 7042 1 10 . 1 1 102 102 THR N N 102 111.208 111.208 110.345 0.863 25762 7043 1 10 . 1 1 102 102 THR HA H 102 5.260 5.260 5.303 -0.043 25762 7044 1 10 . 1 1 102 102 THR C C 102 173.097 173.097 173.431 -0.334 25762 7045 1 10 . 1 1 102 102 THR CA C 102 59.922 59.922 60.113 -0.191 25762 7046 1 10 . 1 1 102 102 THR CB C 102 71.788 71.788 70.748 1.040 25762 7047 1 10 . 1 1 102 102 THR H H 102 7.706 7.706 7.294 0.412 25762 7048 1 10 . 1 1 103 103 VAL N N 103 117.395 117.395 118.043 -0.648 25762 7049 1 10 . 1 1 103 103 VAL HA H 103 4.510 4.510 4.593 -0.083 25762 7050 1 10 . 1 1 103 103 VAL C C 103 174.132 174.132 173.963 0.169 25762 7051 1 10 . 1 1 103 103 VAL CA C 103 59.538 59.538 60.043 -0.505 25762 7052 1 10 . 1 1 103 103 VAL CB C 103 35.523 35.523 34.750 0.773 25762 7053 1 10 . 1 1 103 103 VAL H H 103 8.192 8.192 8.915 -0.723 25762 7054 1 10 . 1 1 104 104 THR N N 104 117.862 117.862 118.386 -0.524 25762 7055 1 10 . 1 1 104 104 THR HA H 104 5.098 5.098 5.081 0.017 25762 7056 1 10 . 1 1 104 104 THR C C 104 173.646 173.646 173.588 0.058 25762 7057 1 10 . 1 1 104 104 THR CA C 104 61.458 61.458 60.886 0.572 25762 7058 1 10 . 1 1 104 104 THR CB C 104 71.177 71.177 70.246 0.931 25762 7059 1 10 . 1 1 104 104 THR H H 104 8.332 8.332 8.266 0.066 25762 7060 1 10 . 1 1 105 105 ILE N N 105 124.431 124.431 126.570 -2.139 25762 7061 1 10 . 1 1 105 105 ILE HA H 105 4.670 4.670 4.661 0.009 25762 7062 1 10 . 1 1 105 105 ILE C C 105 174.296 174.296 173.303 0.993 25762 7063 1 10 . 1 1 105 105 ILE CA C 105 59.695 59.695 59.817 -0.122 25762 7064 1 10 . 1 1 105 105 ILE CB C 105 41.116 41.116 41.739 -0.623 25762 7065 1 10 . 1 1 105 105 ILE H H 105 8.868 8.868 8.547 0.321 25762 7066 1 10 . 1 1 106 106 SER N N 106 118.430 118.430 123.009 -4.579 25762 7067 1 10 . 1 1 106 106 SER HA H 106 3.760 3.760 5.503 -1.743 25762 7068 1 10 . 1 1 106 106 SER C C 106 173.441 173.441 173.604 -0.163 25762 7069 1 10 . 1 1 106 106 SER CA C 106 56.877 56.877 56.680 0.197 25762 7070 1 10 . 1 1 106 106 SER CB C 106 67.115 67.115 65.971 1.144 25762 7071 1 10 . 1 1 106 106 SER H H 106 8.559 8.559 8.299 0.260 25762 7072 1 10 . 1 1 107 107 LYS N N 107 121.976 121.976 122.026 -0.050 25762 7073 1 10 . 1 1 107 107 LYS CA C 107 53.625 53.625 52.972 0.653 25762 7074 1 10 . 1 1 107 107 LYS CB C 107 35.515 35.515 35.136 0.379 25762 7075 1 10 . 1 1 107 107 LYS H H 107 9.060 9.060 9.032 0.028 25762 7076 1 10 . 1 1 108 108 PRO HA H 108 4.940 4.940 4.618 0.322 25762 7077 1 10 . 1 1 108 108 PRO C C 108 176.741 176.741 176.594 0.147 25762 7078 1 10 . 1 1 108 108 PRO CA C 108 62.870 62.870 62.670 0.200 25762 7079 1 10 . 1 1 108 108 PRO CB C 108 32.590 32.590 31.498 1.092 25762 7080 1 10 . 1 1 109 109 CYS N N 109 118.313 118.313 125.743 -7.430 25762 7081 1 10 . 1 1 109 109 CYS HA H 109 4.501 4.501 4.444 0.057 25762 7082 1 10 . 1 1 109 109 CYS C C 109 173.369 173.369 175.735 -2.366 25762 7083 1 10 . 1 1 109 109 CYS CA C 109 55.950 55.950 59.419 -3.469 25762 7084 1 10 . 1 1 109 109 CYS CB C 109 44.620 44.620 24.946 19.674 25762 7085 1 10 . 1 1 109 109 CYS H H 109 8.237 8.237 8.656 -0.419 25762 7086 1 10 . 1 1 110 110 GLY N N 110 108.677 108.677 111.666 -2.989 25762 7087 1 10 . 1 1 110 110 GLY C C 110 173.455 173.455 173.540 -0.085 25762 7088 1 10 . 1 1 110 110 GLY CA C 110 45.276 45.276 45.344 -0.068 25762 7089 1 10 . 1 1 110 110 GLY H H 110 8.220 8.220 8.152 0.068 25762 7090 1 10 . 1 1 111 111 LYS N N 111 121.361 121.361 119.410 1.951 25762 7091 1 10 . 1 1 111 111 LYS HA H 111 4.270 4.270 4.557 -0.287 25762 7092 1 10 . 1 1 111 111 LYS C C 111 176.597 176.597 175.895 0.702 25762 7093 1 10 . 1 1 111 111 LYS CA C 111 56.420 56.420 55.138 1.282 25762 7094 1 10 . 1 1 111 111 LYS CB C 111 33.470 33.470 35.077 -1.607 25762 7095 1 10 . 1 1 111 111 LYS H H 111 8.239 8.239 7.624 0.615 25762 7096 1 10 . 1 1 112 112 LEU N N 112 123.971 123.971 120.716 3.255 25762 7097 1 10 . 1 1 112 112 LEU HA H 112 4.410 4.410 4.592 -0.182 25762 7098 1 10 . 1 1 112 112 LEU C C 112 177.404 177.404 176.688 0.716 25762 7099 1 10 . 1 1 112 112 LEU CA C 112 55.150 55.150 54.832 0.318 25762 7100 1 10 . 1 1 112 112 LEU CB C 112 42.349 42.349 42.362 -0.013 25762 7101 1 10 . 1 1 112 112 LEU H H 112 8.340 8.340 8.283 0.057 25762 7102 1 10 . 1 1 113 113 THR N N 113 116.653 116.653 113.580 3.073 25762 7103 1 10 . 1 1 113 113 THR HA H 113 4.310 4.310 4.359 -0.049 25762 7104 1 10 . 1 1 113 113 THR C C 113 174.082 174.082 174.708 -0.626 25762 7105 1 10 . 1 1 113 113 THR CA C 113 61.676 61.676 62.101 -0.425 25762 7106 1 10 . 1 1 113 113 THR CB C 113 69.090 69.090 69.417 -0.327 25762 7107 1 10 . 1 1 113 113 THR H H 113 8.150 8.150 8.156 -0.006 25762 7108 1 10 . 1 1 114 114 LYS N N 114 125.770 125.770 126.296 -0.526 25762 7109 1 10 . 1 1 114 114 LYS CA C 114 54.157 54.157 53.900 0.257 25762 7110 1 10 . 1 1 114 114 LYS CB C 114 32.820 32.820 32.157 0.663 25762 7111 1 10 . 1 1 114 114 LYS H H 114 8.290 8.290 8.447 -0.157 25762 7112 1 10 . 1 1 115 115 PRO HA H 115 4.350 4.350 4.398 -0.048 25762 7113 1 10 . 1 1 115 115 PRO C C 115 176.679 176.679 176.292 0.387 25762 7114 1 10 . 1 1 115 115 PRO CA C 115 62.960 62.960 63.109 -0.149 25762 7115 1 10 . 1 1 115 115 PRO CB C 115 31.860 31.860 32.293 -0.433 25762 7116 1 10 . 1 1 116 116 LYS N N 116 123.818 123.818 121.559 2.259 25762 7117 1 10 . 1 1 116 116 LYS CA C 116 54.338 54.338 54.550 -0.212 25762 7118 1 10 . 1 1 116 116 LYS CB C 116 32.913 32.913 31.868 1.045 25762 7119 1 10 . 1 1 116 116 LYS H H 116 8.441 8.441 8.415 0.026 25762 7120 1 10 . 1 1 117 117 PRO HA H 117 4.403 4.403 4.445 -0.042 25762 7121 1 10 . 1 1 117 117 PRO C C 117 177.038 177.038 175.234 1.804 25762 7122 1 10 . 1 1 117 117 PRO CA C 117 63.360 63.360 63.663 -0.303 25762 7123 1 10 . 1 1 117 117 PRO CB C 117 32.060 32.060 32.370 -0.310 25762 7124 1 10 . 1 1 118 118 GLN N N 118 121.596 121.596 118.690 2.906 25762 7125 1 10 . 1 1 118 118 GLN HA H 118 4.270 4.270 4.870 -0.600 25762 7126 1 10 . 1 1 118 118 GLN C C 118 175.963 175.963 173.703 2.260 25762 7127 1 10 . 1 1 118 118 GLN CA C 118 55.916 55.916 54.723 1.193 25762 7128 1 10 . 1 1 118 118 GLN CB C 118 29.743 29.743 30.755 -1.012 25762 7129 1 10 . 1 1 118 118 GLN H H 118 8.510 8.510 8.457 0.053 25762 7130 1 10 . 1 1 119 119 ALA N N 119 126.073 126.073 122.232 3.841 25762 7131 1 10 . 1 1 119 119 ALA HA H 119 4.270 4.270 4.730 -0.460 25762 7132 1 10 . 1 1 119 119 ALA C C 119 177.921 177.921 176.821 1.100 25762 7133 1 10 . 1 1 119 119 ALA CA C 119 52.765 52.765 52.067 0.698 25762 7134 1 10 . 1 1 119 119 ALA CB C 119 19.501 19.501 19.631 -0.130 25762 7135 1 10 . 1 1 119 119 ALA H H 119 8.389 8.389 8.525 -0.136 25762 7136 1 10 . 1 1 120 120 GLU N N 120 121.107 121.107 119.144 1.963 25762 7137 1 10 . 1 1 120 120 GLU HA H 120 4.260 4.260 4.348 -0.088 25762 7138 1 10 . 1 1 120 120 GLU C C 120 176.819 176.819 175.689 1.130 25762 7139 1 10 . 1 1 120 120 GLU CA C 120 56.680 56.680 56.345 0.335 25762 7140 1 10 . 1 1 120 120 GLU CB C 120 30.482 30.482 29.440 1.042 25762 7141 1 10 . 1 1 120 120 GLU H H 120 8.441 8.441 8.444 -0.003 25762 7142 1 10 . 1 1 121 121 SER N N 121 117.791 117.791 115.841 1.950 25762 7143 1 10 . 1 1 121 121 SER HA H 121 4.410 4.410 4.512 -0.102 25762 7144 1 10 . 1 1 121 121 SER C C 121 174.892 174.892 173.181 1.711 25762 7145 1 10 . 1 1 121 121 SER CA C 121 58.548 58.548 57.594 0.954 25762 7146 1 10 . 1 1 121 121 SER CB C 121 63.668 63.668 62.638 1.030 25762 7147 1 10 . 1 1 121 121 SER H H 121 8.379 8.379 7.729 0.650 25762 7148 1 10 . 1 1 122 122 LYS N N 122 123.955 123.955 124.950 -0.995 25762 7149 1 10 . 1 1 122 122 LYS CA C 122 56.474 56.474 55.554 0.919 25762 7150 1 10 . 1 1 122 122 LYS CB C 122 33.335 33.335 33.721 -0.386 25762 7151 1 10 . 1 1 122 122 LYS H H 122 8.329 8.329 8.077 0.252 25762 7152 1 10 . 1 1 125 125 LYS HA H 125 4.310 4.310 4.653 -0.343 25762 7153 1 10 . 1 1 125 125 LYS C C 125 176.721 176.721 175.428 1.293 25762 7154 1 10 . 1 1 125 125 LYS CA C 125 56.580 56.580 55.475 1.105 25762 7155 1 10 . 1 1 125 125 LYS CB C 125 32.810 32.810 34.471 -1.661 25762 7156 1 10 . 1 1 126 126 LYS N N 126 122.569 122.569 121.454 1.115 25762 7157 1 10 . 1 1 126 126 LYS HA H 126 4.320 4.320 4.524 -0.204 25762 7158 1 10 . 1 1 126 126 LYS C C 126 176.512 176.512 175.795 0.717 25762 7159 1 10 . 1 1 126 126 LYS CA C 126 56.440 56.440 55.336 1.104 25762 7160 1 10 . 1 1 126 126 LYS CB C 126 33.057 33.057 33.732 -0.675 25762 7161 1 10 . 1 1 126 126 LYS H H 126 8.169 8.169 8.483 -0.314 25762 7162 1 10 . 1 1 127 127 GLU N N 127 123.450 123.450 121.077 2.373 25762 7163 1 10 . 1 1 127 127 GLU HA H 127 4.310 4.310 4.347 -0.037 25762 7164 1 10 . 1 1 127 127 GLU C C 127 176.800 176.800 177.007 -0.207 25762 7165 1 10 . 1 1 127 127 GLU CA C 127 56.474 56.474 56.106 0.368 25762 7166 1 10 . 1 1 127 127 GLU CB C 127 30.620 30.620 30.426 0.194 25762 7167 1 10 . 1 1 127 127 GLU H H 127 8.459 8.459 8.528 -0.069 25762 7168 1 10 . 1 1 128 128 GLY N N 128 110.800 110.800 108.959 1.841 25762 7169 1 10 . 1 1 128 128 GLY CA C 128 45.300 45.300 44.843 0.457 25762 7170 1 10 . 1 1 128 128 GLY H H 128 8.440 8.440 8.429 0.011 25762 7171 1 10 . 1 1 129 129 LYS HA H 129 4.270 4.270 4.333 -0.063 25762 7172 1 10 . 1 1 129 129 LYS C C 129 176.516 176.516 176.897 -0.381 25762 7173 1 10 . 1 1 129 129 LYS CA C 129 56.480 56.480 56.333 0.147 25762 7174 1 10 . 1 1 129 129 LYS CB C 129 32.860 32.860 33.114 -0.254 25762 7175 1 10 . 1 1 130 130 LYS N N 130 124.071 124.071 121.434 2.637 25762 7176 1 10 . 1 1 130 130 LYS HA H 130 4.270 4.270 4.172 0.098 25762 7177 1 10 . 1 1 130 130 LYS C C 130 176.545 176.545 176.027 0.518 25762 7178 1 10 . 1 1 130 130 LYS CA C 130 56.495 56.495 56.602 -0.107 25762 7179 1 10 . 1 1 130 130 LYS CB C 130 33.020 33.020 32.306 0.714 25762 7180 1 10 . 1 1 130 130 LYS H H 130 8.409 8.409 7.676 0.733 25762 7181 1 10 . 1 1 131 131 GLN N N 131 122.710 122.710 125.121 -2.411 25762 7182 1 10 . 1 1 131 131 GLN HA H 131 4.440 4.440 4.465 -0.025 25762 7183 1 10 . 1 1 131 131 GLN C C 131 175.866 175.866 175.939 -0.073 25762 7184 1 10 . 1 1 131 131 GLN CA C 131 56.016 56.016 55.193 0.823 25762 7185 1 10 . 1 1 131 131 GLN CB C 131 29.663 29.663 30.601 -0.938 25762 7186 1 10 . 1 1 131 131 GLN H H 131 8.467 8.467 8.486 -0.019 25762 7187 1 10 . 1 1 132 132 GLU N N 132 123.586 123.586 123.988 -0.402 25762 7188 1 10 . 1 1 132 132 GLU HA H 132 4.250 4.250 4.264 -0.014 25762 7189 1 10 . 1 1 132 132 GLU C C 132 176.354 176.354 175.851 0.503 25762 7190 1 10 . 1 1 132 132 GLU CA C 132 56.537 56.537 56.306 0.231 25762 7191 1 10 . 1 1 132 132 GLU CB C 132 30.614 30.614 30.228 0.386 25762 7192 1 10 . 1 1 132 132 GLU H H 132 8.490 8.490 8.611 -0.121 25762 7193 1 10 . 1 1 133 133 LYS N N 133 123.918 123.918 124.194 -0.276 25762 7194 1 10 . 1 1 133 133 LYS HA H 133 4.280 4.280 4.219 0.061 25762 7195 1 10 . 1 1 133 133 LYS C C 133 176.232 176.232 176.329 -0.097 25762 7196 1 10 . 1 1 133 133 LYS CA C 133 56.311 56.311 56.454 -0.143 25762 7197 1 10 . 1 1 133 133 LYS CB C 133 33.137 33.137 32.592 0.545 25762 7198 1 10 . 1 1 133 133 LYS H H 133 8.373 8.373 8.539 -0.166 25762 7199 1 10 . 1 1 134 134 MET N N 134 122.994 122.994 125.790 -2.796 25762 7200 1 10 . 1 1 134 134 MET HA H 134 4.480 4.480 4.559 -0.079 25762 7201 1 10 . 1 1 134 134 MET C C 134 175.946 175.946 175.098 0.848 25762 7202 1 10 . 1 1 134 134 MET CA C 134 55.563 55.563 54.983 0.580 25762 7203 1 10 . 1 1 134 134 MET CB C 134 32.010 32.010 32.341 -0.331 25762 7204 1 10 . 1 1 134 134 MET H H 134 8.436 8.436 8.592 -0.156 25762 7205 1 10 . 1 1 135 135 LEU N N 135 124.454 124.454 127.122 -2.668 25762 7206 1 10 . 1 1 135 135 LEU HA H 135 4.380 4.380 4.795 -0.415 25762 7207 1 10 . 1 1 135 135 LEU C C 135 176.158 176.158 176.576 -0.418 25762 7208 1 10 . 1 1 135 135 LEU CA C 135 55.225 55.225 54.937 0.288 25762 7209 1 10 . 1 1 135 135 LEU CB C 135 42.654 42.654 43.842 -1.188 25762 7210 1 10 . 1 1 135 135 LEU H H 135 8.285 8.285 8.387 -0.102 25762 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 121 3.211 -0.374 3.202 25762 2 1 1 "Average Difference" HA 127 0.442 0.099 0.432 25762 3 1 1 "Average Difference" C 121 1.215 -0.356 1.166 25762 4 1 1 "Average Difference" CA 129 1.336 0.103 1.338 25762 5 1 1 "Average Difference" CB 118 4.805 -1.582 4.556 25762 6 1 1 "Average Difference" HN 121 0.456 -0.042 0.456 25762 7 1 2 "Average Difference" N 121 2.968 -0.396 2.953 25762 8 1 2 "Average Difference" HA 127 0.418 0.109 0.405 25762 9 1 2 "Average Difference" C 121 1.172 -0.395 1.108 25762 10 1 2 "Average Difference" CA 129 1.266 0.034 1.271 25762 11 1 2 "Average Difference" CB 118 4.886 -1.565 4.648 25762 12 1 2 "Average Difference" HN 121 0.415 -0.024 0.416 25762 13 1 3 "Average Difference" N 121 3.087 -0.338 3.081 25762 14 1 3 "Average Difference" HA 127 0.433 0.084 0.426 25762 15 1 3 "Average Difference" C 121 1.133 -0.337 1.086 25762 16 1 3 "Average Difference" CA 129 1.451 0.078 1.455 25762 17 1 3 "Average Difference" CB 118 4.790 -1.541 4.554 25762 18 1 3 "Average Difference" HN 121 0.426 -0.088 0.419 25762 19 1 4 "Average Difference" N 121 3.017 0.012 3.030 25762 20 1 4 "Average Difference" HA 127 0.422 0.078 0.417 25762 21 1 4 "Average Difference" C 121 1.084 -0.335 1.035 25762 22 1 4 "Average Difference" CA 129 1.304 0.052 1.308 25762 23 1 4 "Average Difference" CB 118 4.991 -1.615 4.742 25762 24 1 4 "Average Difference" HN 121 0.460 -0.047 0.460 25762 25 1 5 "Average Difference" N 121 2.912 -0.279 2.910 25762 26 1 5 "Average Difference" HA 127 0.414 0.108 0.401 25762 27 1 5 "Average Difference" C 121 1.141 -0.290 1.108 25762 28 1 5 "Average Difference" CA 129 1.360 -0.046 1.365 25762 29 1 5 "Average Difference" CB 118 4.958 -1.618 4.707 25762 30 1 5 "Average Difference" HN 121 0.421 -0.074 0.416 25762 31 1 6 "Average Difference" N 121 3.414 -0.525 3.387 25762 32 1 6 "Average Difference" HA 127 0.466 0.077 0.461 25762 33 1 6 "Average Difference" C 121 1.206 -0.366 1.154 25762 34 1 6 "Average Difference" CA 129 1.350 0.078 1.353 25762 35 1 6 "Average Difference" CB 118 4.850 -1.597 4.599 25762 36 1 6 "Average Difference" HN 121 0.470 -0.054 0.469 25762 37 1 7 "Average Difference" N 121 3.121 -0.044 3.134 25762 38 1 7 "Average Difference" HA 127 0.431 0.083 0.425 25762 39 1 7 "Average Difference" C 121 1.085 -0.303 1.046 25762 40 1 7 "Average Difference" CA 129 1.407 0.048 1.412 25762 41 1 7 "Average Difference" CB 118 4.916 -1.646 4.652 25762 42 1 7 "Average Difference" HN 121 0.412 -0.024 0.414 25762 43 1 8 "Average Difference" N 121 3.575 -0.414 3.566 25762 44 1 8 "Average Difference" HA 127 0.444 0.116 0.431 25762 45 1 8 "Average Difference" C 121 1.175 -0.351 1.126 25762 46 1 8 "Average Difference" CA 129 1.407 0.032 1.412 25762 47 1 8 "Average Difference" CB 118 4.951 -1.670 4.681 25762 48 1 8 "Average Difference" HN 121 0.450 -0.069 0.447 25762 49 1 9 "Average Difference" N 121 2.917 -0.567 2.873 25762 50 1 9 "Average Difference" HA 127 0.420 0.086 0.413 25762 51 1 9 "Average Difference" C 121 1.126 -0.277 1.096 25762 52 1 9 "Average Difference" CA 129 1.281 0.158 1.276 25762 53 1 9 "Average Difference" CB 118 4.739 -1.553 4.496 25762 54 1 9 "Average Difference" HN 121 0.401 -0.086 0.393 25762 55 1 10 "Average Difference" N 121 2.844 -0.202 2.849 25762 56 1 10 "Average Difference" HA 127 0.444 0.129 0.427 25762 57 1 10 "Average Difference" C 121 1.040 -0.277 1.006 25762 58 1 10 "Average Difference" CA 129 1.378 0.003 1.383 25762 59 1 10 "Average Difference" CB 118 4.923 -1.470 4.718 25762 60 1 10 "Average Difference" HN 121 0.429 -0.033 0.430 25762 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 25762 _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 LYS N N 2 121.740 121.740 120.314 1.427 25762 2 1 . 1 1 2 2 LYS CA C 2 56.298 56.298 56.256 0.042 25762 3 1 . 1 1 2 2 LYS CB C 2 33.384 33.384 33.026 0.358 25762 4 1 . 1 1 2 2 LYS H H 2 8.229 8.229 8.298 -0.069 25762 5 1 . 1 1 6 6 PRO HA H 6 4.400 4.400 4.533 -0.134 25762 6 1 . 1 1 6 6 PRO C C 6 176.964 176.964 176.545 0.419 25762 7 1 . 1 1 6 6 PRO CA C 6 63.200 63.200 62.972 0.228 25762 8 1 . 1 1 6 6 PRO CB C 6 32.100 32.100 32.389 -0.289 25762 9 1 . 1 1 7 7 GLU N N 7 122.285 122.285 119.470 2.815 25762 10 1 . 1 1 7 7 GLU HA H 7 4.260 4.260 4.329 -0.069 25762 11 1 . 1 1 7 7 GLU C C 7 176.226 176.226 175.763 0.463 25762 12 1 . 1 1 7 7 GLU CA C 7 56.493 56.493 56.150 0.343 25762 13 1 . 1 1 7 7 GLU CB C 7 30.610 30.610 29.755 0.855 25762 14 1 . 1 1 7 7 GLU H H 7 8.551 8.551 8.440 0.111 25762 15 1 . 1 1 8 8 LYS N N 8 122.572 122.572 123.236 -0.664 25762 16 1 . 1 1 8 8 LYS HA H 8 4.310 4.310 4.235 0.075 25762 17 1 . 1 1 8 8 LYS C C 8 176.541 176.541 175.958 0.583 25762 18 1 . 1 1 8 8 LYS CA C 8 56.440 56.440 56.507 -0.067 25762 19 1 . 1 1 8 8 LYS CB C 8 33.195 33.195 32.643 0.552 25762 20 1 . 1 1 8 8 LYS H H 8 8.346 8.346 8.366 -0.020 25762 21 1 . 1 1 9 9 LYS N N 9 123.843 123.843 121.916 1.927 25762 22 1 . 1 1 9 9 LYS HA H 9 4.330 4.330 4.163 0.167 25762 23 1 . 1 1 9 9 LYS C C 9 176.390 176.390 175.568 0.822 25762 24 1 . 1 1 9 9 LYS CA C 9 56.537 56.537 56.489 0.048 25762 25 1 . 1 1 9 9 LYS CB C 9 33.160 33.160 32.585 0.575 25762 26 1 . 1 1 9 9 LYS H H 9 8.505 8.505 8.280 0.225 25762 27 1 . 1 1 10 10 VAL N N 10 123.043 123.043 122.275 0.768 25762 28 1 . 1 1 10 10 VAL HA H 10 4.080 4.080 4.252 -0.172 25762 29 1 . 1 1 10 10 VAL C C 10 175.887 175.887 175.248 0.639 25762 30 1 . 1 1 10 10 VAL CA C 10 62.159 62.159 61.510 0.649 25762 31 1 . 1 1 10 10 VAL CB C 10 33.080 33.080 33.557 -0.477 25762 32 1 . 1 1 10 10 VAL H H 10 8.206 8.206 8.268 -0.062 25762 33 1 . 1 1 11 11 LYS N N 11 126.952 126.952 125.983 0.969 25762 34 1 . 1 1 11 11 LYS HA H 11 4.320 4.320 4.494 -0.174 25762 35 1 . 1 1 11 11 LYS C C 11 176.257 176.257 175.847 0.410 25762 36 1 . 1 1 11 11 LYS CA C 11 56.085 56.085 55.929 0.156 25762 37 1 . 1 1 11 11 LYS CB C 11 33.320 33.320 32.943 0.377 25762 38 1 . 1 1 11 11 LYS H H 11 8.433 8.433 8.406 0.027 25762 39 1 . 1 1 12 12 LYS N N 12 125.023 125.023 121.834 3.189 25762 40 1 . 1 1 12 12 LYS HA H 12 4.260 4.260 4.281 -0.021 25762 41 1 . 1 1 12 12 LYS C C 12 176.306 176.306 176.220 0.086 25762 42 1 . 1 1 12 12 LYS CA C 12 56.605 56.605 56.605 0.000 25762 43 1 . 1 1 12 12 LYS CB C 12 33.443 33.443 33.056 0.388 25762 44 1 . 1 1 12 12 LYS H H 12 8.446 8.446 8.499 -0.053 25762 45 1 . 1 1 13 13 SER N N 13 117.836 117.836 115.878 1.958 25762 46 1 . 1 1 13 13 SER HA H 13 4.460 4.460 4.430 0.030 25762 47 1 . 1 1 13 13 SER C C 13 174.456 174.456 173.400 1.056 25762 48 1 . 1 1 13 13 SER CA C 13 57.950 57.950 58.057 -0.107 25762 49 1 . 1 1 13 13 SER CB C 13 64.048 64.048 63.200 0.848 25762 50 1 . 1 1 13 13 SER H H 13 8.353 8.353 8.283 0.070 25762 51 1 . 1 1 14 14 ASP N N 14 124.256 124.256 122.246 2.010 25762 52 1 . 1 1 14 14 ASP HA H 14 4.570 4.570 4.701 -0.131 25762 53 1 . 1 1 14 14 ASP C C 14 175.559 175.559 176.113 -0.554 25762 54 1 . 1 1 14 14 ASP CA C 14 54.045 54.045 53.614 0.431 25762 55 1 . 1 1 14 14 ASP CB C 14 41.037 41.037 42.295 -1.258 25762 56 1 . 1 1 14 14 ASP H H 14 8.479 8.479 8.097 0.382 25762 57 1 . 1 1 15 15 CYS N N 15 117.954 117.954 120.164 -2.210 25762 58 1 . 1 1 15 15 CYS HA H 15 4.650 4.650 4.287 0.363 25762 59 1 . 1 1 15 15 CYS C C 15 175.354 175.354 174.507 0.847 25762 60 1 . 1 1 15 15 CYS CA C 15 55.413 55.413 59.409 -3.996 25762 61 1 . 1 1 15 15 CYS CB C 15 43.497 43.497 26.848 16.649 25762 62 1 . 1 1 15 15 CYS H H 15 7.901 7.901 8.803 -0.902 25762 63 1 . 1 1 16 16 GLY N N 16 112.694 112.694 109.297 3.397 25762 64 1 . 1 1 16 16 GLY C C 16 172.300 172.300 171.891 0.409 25762 65 1 . 1 1 16 16 GLY CA C 16 44.224 44.224 44.731 -0.507 25762 66 1 . 1 1 16 16 GLY H H 16 8.447 8.447 7.925 0.522 25762 67 1 . 1 1 17 17 GLU N N 17 118.500 118.500 120.139 -1.639 25762 68 1 . 1 1 17 17 GLU HA H 17 4.090 4.090 4.217 -0.127 25762 69 1 . 1 1 17 17 GLU C C 17 177.571 177.571 176.530 1.041 25762 70 1 . 1 1 17 17 GLU CA C 17 55.900 55.900 54.864 1.036 25762 71 1 . 1 1 17 17 GLU CB C 17 30.500 30.500 31.480 -0.980 25762 72 1 . 1 1 17 17 GLU H H 17 8.250 8.250 8.384 -0.134 25762 73 1 . 1 1 18 18 TRP N N 18 122.718 122.718 121.217 1.501 25762 74 1 . 1 1 18 18 TRP HA H 18 4.040 4.040 4.408 -0.368 25762 75 1 . 1 1 18 18 TRP C C 18 176.310 176.310 176.648 -0.338 25762 76 1 . 1 1 18 18 TRP CA C 18 58.515 58.515 57.731 0.784 25762 77 1 . 1 1 18 18 TRP CB C 18 30.365 30.365 29.201 1.164 25762 78 1 . 1 1 18 18 TRP H H 18 8.319 8.319 8.323 -0.004 25762 79 1 . 1 1 19 19 GLN N N 19 123.305 123.305 122.320 0.985 25762 80 1 . 1 1 19 19 GLN HA H 19 4.530 4.530 4.563 -0.033 25762 81 1 . 1 1 19 19 GLN C C 19 175.571 175.571 174.967 0.604 25762 82 1 . 1 1 19 19 GLN CA C 19 54.186 54.186 54.532 -0.346 25762 83 1 . 1 1 19 19 GLN CB C 19 29.897 29.897 30.084 -0.187 25762 84 1 . 1 1 19 19 GLN H H 19 9.140 9.140 8.732 0.408 25762 85 1 . 1 1 20 20 TRP N N 20 125.311 125.311 125.780 -0.469 25762 86 1 . 1 1 20 20 TRP HA H 20 5.290 5.290 4.919 0.371 25762 87 1 . 1 1 20 20 TRP C C 20 177.596 177.596 176.736 0.860 25762 88 1 . 1 1 20 20 TRP CA C 20 56.651 56.651 56.490 0.161 25762 89 1 . 1 1 20 20 TRP CB C 20 32.720 32.720 30.998 1.722 25762 90 1 . 1 1 20 20 TRP H H 20 8.783 8.783 8.689 0.094 25762 91 1 . 1 1 21 21 SER N N 21 120.041 120.041 117.368 2.672 25762 92 1 . 1 1 21 21 SER HA H 21 4.440 4.440 4.863 -0.423 25762 93 1 . 1 1 21 21 SER C C 21 173.795 173.795 173.749 0.046 25762 94 1 . 1 1 21 21 SER CA C 21 57.292 57.292 57.402 -0.111 25762 95 1 . 1 1 21 21 SER CB C 21 65.435 65.435 64.373 1.062 25762 96 1 . 1 1 21 21 SER H H 21 9.173 9.173 8.869 0.304 25762 97 1 . 1 1 22 22 VAL N N 22 115.336 115.336 118.118 -2.782 25762 98 1 . 1 1 22 22 VAL HA H 22 4.130 4.130 4.337 -0.207 25762 99 1 . 1 1 22 22 VAL C C 22 175.183 175.183 175.626 -0.444 25762 100 1 . 1 1 22 22 VAL CA C 22 62.008 62.008 61.149 0.859 25762 101 1 . 1 1 22 22 VAL CB C 22 32.859 32.859 33.126 -0.267 25762 102 1 . 1 1 22 22 VAL H H 22 8.099 8.099 8.209 -0.110 25762 103 1 . 1 1 23 23 CYS N N 23 122.154 122.154 124.265 -2.111 25762 104 1 . 1 1 23 23 CYS HA H 23 4.330 4.330 4.472 -0.142 25762 105 1 . 1 1 23 23 CYS C C 23 173.335 173.335 175.245 -1.910 25762 106 1 . 1 1 23 23 CYS CA C 23 56.598 56.598 58.941 -2.343 25762 107 1 . 1 1 23 23 CYS CB C 23 42.166 42.166 25.573 16.593 25762 108 1 . 1 1 23 23 CYS H H 23 8.433 8.433 8.463 -0.031 25762 109 1 . 1 1 24 24 VAL N N 24 133.008 133.008 127.223 5.785 25762 110 1 . 1 1 24 24 VAL HA H 24 4.260 4.260 4.591 -0.331 25762 111 1 . 1 1 24 24 VAL CA C 24 59.409 59.409 58.948 0.462 25762 112 1 . 1 1 24 24 VAL CB C 24 33.572 33.572 33.562 0.010 25762 113 1 . 1 1 24 24 VAL H H 24 8.790 8.790 8.546 0.244 25762 114 1 . 1 1 25 25 PRO HA H 25 4.380 4.380 4.527 -0.147 25762 115 1 . 1 1 25 25 PRO C C 25 176.853 176.853 176.851 0.002 25762 116 1 . 1 1 25 25 PRO CA C 25 62.700 62.700 63.370 -0.670 25762 117 1 . 1 1 25 25 PRO CB C 25 31.600 31.600 32.244 -0.644 25762 118 1 . 1 1 26 26 THR N N 26 121.729 121.729 114.414 7.315 25762 119 1 . 1 1 26 26 THR HA H 26 3.970 3.970 4.277 -0.307 25762 120 1 . 1 1 26 26 THR C C 26 174.891 174.891 174.505 0.386 25762 121 1 . 1 1 26 26 THR CA C 26 65.598 65.598 63.512 2.086 25762 122 1 . 1 1 26 26 THR CB C 26 69.136 69.136 69.093 0.043 25762 123 1 . 1 1 26 26 THR H H 26 9.199 9.199 8.460 0.739 25762 124 1 . 1 1 27 27 SER N N 27 115.495 115.495 114.895 0.600 25762 125 1 . 1 1 27 27 SER HA H 27 4.590 4.590 4.503 0.087 25762 126 1 . 1 1 27 27 SER C C 27 173.700 173.700 174.147 -0.447 25762 127 1 . 1 1 27 27 SER CA C 27 57.326 57.326 57.845 -0.519 25762 128 1 . 1 1 27 27 SER CB C 27 64.749 64.749 64.226 0.523 25762 129 1 . 1 1 27 27 SER H H 27 8.676 8.676 7.688 0.988 25762 130 1 . 1 1 28 28 GLY N N 28 111.492 111.492 110.994 0.498 25762 131 1 . 1 1 28 28 GLY C C 28 173.803 173.803 174.805 -1.002 25762 132 1 . 1 1 28 28 GLY CA C 28 45.965 45.965 45.871 0.094 25762 133 1 . 1 1 28 28 GLY H H 28 8.482 8.482 8.686 -0.204 25762 134 1 . 1 1 29 29 ASP N N 29 118.893 118.893 120.960 -2.067 25762 135 1 . 1 1 29 29 ASP HA H 29 4.750 4.750 4.536 0.214 25762 136 1 . 1 1 29 29 ASP C C 29 175.806 175.806 175.270 0.536 25762 137 1 . 1 1 29 29 ASP CA C 29 53.476 53.476 54.672 -1.196 25762 138 1 . 1 1 29 29 ASP CB C 29 42.140 42.140 40.149 1.991 25762 139 1 . 1 1 29 29 ASP H H 29 8.412 8.412 8.345 0.066 25762 140 1 . 1 1 30 30 CYS N N 30 113.937 113.937 118.304 -4.367 25762 141 1 . 1 1 30 30 CYS HA H 30 3.840 3.840 4.366 -0.526 25762 142 1 . 1 1 30 30 CYS C C 30 170.767 170.767 173.724 -2.957 25762 143 1 . 1 1 30 30 CYS CA C 30 56.060 56.060 59.227 -3.167 25762 144 1 . 1 1 30 30 CYS CB C 30 47.900 47.900 26.667 21.233 25762 145 1 . 1 1 30 30 CYS H H 30 7.983 7.983 8.041 -0.058 25762 146 1 . 1 1 31 31 GLY N N 31 110.972 110.972 111.732 -0.760 25762 147 1 . 1 1 31 31 GLY C C 31 173.804 173.804 172.821 0.983 25762 148 1 . 1 1 31 31 GLY CA C 31 44.043 44.043 44.519 -0.476 25762 149 1 . 1 1 31 31 GLY H H 31 9.376 9.376 8.024 1.352 25762 150 1 . 1 1 32 32 LEU N N 32 123.077 123.077 122.044 1.033 25762 151 1 . 1 1 32 32 LEU HA H 32 4.440 4.440 4.422 0.018 25762 152 1 . 1 1 32 32 LEU C C 32 177.802 177.802 176.786 1.016 25762 153 1 . 1 1 32 32 LEU CA C 32 55.904 55.904 54.906 0.998 25762 154 1 . 1 1 32 32 LEU CB C 32 42.825 42.825 42.591 0.234 25762 155 1 . 1 1 32 32 LEU H H 32 8.493 8.493 8.405 0.088 25762 156 1 . 1 1 33 33 GLY N N 33 110.436 110.436 110.422 0.014 25762 157 1 . 1 1 33 33 GLY C C 33 174.279 174.279 173.122 1.157 25762 158 1 . 1 1 33 33 GLY CA C 33 45.930 45.930 44.403 1.527 25762 159 1 . 1 1 33 33 GLY H H 33 8.658 8.658 8.453 0.205 25762 160 1 . 1 1 34 34 THR N N 34 113.118 113.118 113.536 -0.418 25762 161 1 . 1 1 34 34 THR HA H 34 5.166 5.166 5.141 0.025 25762 162 1 . 1 1 34 34 THR C C 34 173.246 173.246 173.042 0.204 25762 163 1 . 1 1 34 34 THR CA C 34 60.776 60.776 61.199 -0.422 25762 164 1 . 1 1 34 34 THR CB C 34 72.892 72.892 72.437 0.455 25762 165 1 . 1 1 34 34 THR H H 34 8.040 8.040 8.315 -0.275 25762 166 1 . 1 1 35 35 ARG N N 35 120.371 120.371 121.691 -1.320 25762 167 1 . 1 1 35 35 ARG HA H 35 4.980 4.980 4.854 0.126 25762 168 1 . 1 1 35 35 ARG C C 35 173.802 173.802 173.773 0.029 25762 169 1 . 1 1 35 35 ARG CA C 35 54.100 54.100 54.971 -0.871 25762 170 1 . 1 1 35 35 ARG CB C 35 33.790 33.790 34.445 -0.655 25762 171 1 . 1 1 35 35 ARG H H 35 9.104 9.104 9.222 -0.118 25762 172 1 . 1 1 36 36 GLU N N 36 122.259 122.259 123.854 -1.595 25762 173 1 . 1 1 36 36 GLU HA H 36 5.160 5.160 5.110 0.050 25762 174 1 . 1 1 36 36 GLU C C 36 175.960 175.960 175.366 0.594 25762 175 1 . 1 1 36 36 GLU CA C 36 55.209 55.209 55.035 0.175 25762 176 1 . 1 1 36 36 GLU CB C 36 32.652 32.652 32.873 -0.221 25762 177 1 . 1 1 36 36 GLU H H 36 8.750 8.750 8.762 -0.012 25762 178 1 . 1 1 37 37 GLY N N 37 116.895 116.895 111.123 5.772 25762 179 1 . 1 1 37 37 GLY C C 37 173.097 173.097 172.644 0.453 25762 180 1 . 1 1 37 37 GLY CA C 37 44.195 44.195 43.904 0.291 25762 181 1 . 1 1 37 37 GLY H H 37 9.479 9.479 9.092 0.387 25762 182 1 . 1 1 38 38 THR N N 38 114.848 114.848 113.611 1.237 25762 183 1 . 1 1 38 38 THR HA H 38 5.540 5.540 5.270 0.270 25762 184 1 . 1 1 38 38 THR C C 38 173.004 173.004 172.864 0.140 25762 185 1 . 1 1 38 38 THR CA C 38 59.751 59.751 60.197 -0.446 25762 186 1 . 1 1 38 38 THR CB C 38 72.666 72.666 72.196 0.471 25762 187 1 . 1 1 38 38 THR H H 38 8.485 8.485 8.120 0.365 25762 188 1 . 1 1 39 39 ARG N N 39 119.072 119.072 122.126 -3.054 25762 189 1 . 1 1 39 39 ARG HA H 39 4.640 4.640 4.557 0.083 25762 190 1 . 1 1 39 39 ARG C C 39 174.649 174.649 173.952 0.697 25762 191 1 . 1 1 39 39 ARG CA C 39 54.587 54.587 54.655 -0.067 25762 192 1 . 1 1 39 39 ARG CB C 39 33.285 33.285 33.324 -0.039 25762 193 1 . 1 1 39 39 ARG H H 39 8.231 8.231 8.848 -0.617 25762 194 1 . 1 1 40 40 THR N N 40 111.009 111.009 114.872 -3.863 25762 195 1 . 1 1 40 40 THR HA H 40 4.440 4.440 4.885 -0.445 25762 196 1 . 1 1 40 40 THR C C 40 173.890 173.890 173.756 0.134 25762 197 1 . 1 1 40 40 THR CA C 40 60.431 60.431 59.982 0.449 25762 198 1 . 1 1 40 40 THR CB C 40 71.163 71.163 71.754 -0.591 25762 199 1 . 1 1 40 40 THR H H 40 8.097 8.097 7.961 0.136 25762 200 1 . 1 1 41 41 GLY N N 41 110.094 110.094 108.105 1.989 25762 201 1 . 1 1 41 41 GLY C C 41 174.489 174.489 174.147 0.342 25762 202 1 . 1 1 41 41 GLY CA C 41 45.487 45.487 43.930 1.557 25762 203 1 . 1 1 41 41 GLY H H 41 8.146 8.146 8.207 -0.062 25762 204 1 . 1 1 42 42 ALA N N 42 130.030 130.030 121.515 8.515 25762 205 1 . 1 1 42 42 ALA HA H 42 4.150 4.150 4.227 -0.077 25762 206 1 . 1 1 42 42 ALA C C 42 179.063 179.063 178.396 0.667 25762 207 1 . 1 1 42 42 ALA CA C 42 54.737 54.737 54.067 0.670 25762 208 1 . 1 1 42 42 ALA CB C 42 19.258 19.258 18.954 0.304 25762 209 1 . 1 1 42 42 ALA H H 42 8.844 8.844 8.403 0.441 25762 210 1 . 1 1 43 43 GLU N N 43 116.721 116.721 116.421 0.299 25762 211 1 . 1 1 43 43 GLU HA H 43 4.350 4.350 4.340 0.010 25762 212 1 . 1 1 43 43 GLU C C 43 175.825 175.825 175.568 0.257 25762 213 1 . 1 1 43 43 GLU CA C 43 54.964 54.964 55.745 -0.781 25762 214 1 . 1 1 43 43 GLU CB C 43 29.372 29.372 29.480 -0.108 25762 215 1 . 1 1 43 43 GLU H H 43 9.070 9.070 8.271 0.799 25762 216 1 . 1 1 44 44 CYS N N 44 120.031 120.031 117.609 2.421 25762 217 1 . 1 1 44 44 CYS C C 44 174.887 174.887 174.622 0.265 25762 218 1 . 1 1 44 44 CYS CA C 44 55.287 55.287 58.906 -3.619 25762 219 1 . 1 1 44 44 CYS CB C 44 41.215 41.215 25.661 15.554 25762 220 1 . 1 1 44 44 CYS H H 44 7.427 7.427 7.735 -0.308 25762 221 1 . 1 1 45 45 LYS N N 45 127.192 127.192 121.855 5.337 25762 222 1 . 1 1 45 45 LYS HA H 45 4.220 4.220 4.285 -0.065 25762 223 1 . 1 1 45 45 LYS C C 45 176.464 176.464 176.181 0.283 25762 224 1 . 1 1 45 45 LYS CA C 45 57.793 57.793 56.266 1.527 25762 225 1 . 1 1 45 45 LYS CB C 45 32.251 32.251 33.233 -0.982 25762 226 1 . 1 1 45 45 LYS H H 45 8.655 8.655 8.155 0.500 25762 227 1 . 1 1 46 46 GLN N N 46 119.454 119.454 118.268 1.185 25762 228 1 . 1 1 46 46 GLN HA H 46 4.690 4.690 4.319 0.371 25762 229 1 . 1 1 46 46 GLN C C 46 175.524 175.524 174.954 0.570 25762 230 1 . 1 1 46 46 GLN CA C 46 55.759 55.759 56.163 -0.404 25762 231 1 . 1 1 46 46 GLN CB C 46 29.672 29.672 28.818 0.854 25762 232 1 . 1 1 46 46 GLN H H 46 7.831 7.831 8.230 -0.399 25762 233 1 . 1 1 47 47 THR N N 47 116.122 116.122 117.590 -1.468 25762 234 1 . 1 1 47 47 THR HA H 47 4.701 4.701 4.449 0.252 25762 235 1 . 1 1 47 47 THR C C 47 173.458 173.458 173.050 0.408 25762 236 1 . 1 1 47 47 THR CA C 47 61.693 61.693 62.612 -0.919 25762 237 1 . 1 1 47 47 THR CB C 47 69.773 69.773 69.214 0.559 25762 238 1 . 1 1 47 47 THR H H 47 8.633 8.633 8.561 0.072 25762 239 1 . 1 1 48 48 MET N N 48 121.378 121.378 123.725 -2.347 25762 240 1 . 1 1 48 48 MET HA H 48 5.610 5.610 5.184 0.427 25762 241 1 . 1 1 48 48 MET C C 48 174.850 174.850 175.022 -0.172 25762 242 1 . 1 1 48 48 MET CA C 48 55.321 55.321 54.522 0.799 25762 243 1 . 1 1 48 48 MET CB C 48 36.529 36.529 36.830 -0.301 25762 244 1 . 1 1 48 48 MET H H 48 7.838 7.838 8.486 -0.648 25762 245 1 . 1 1 49 49 LYS N N 49 123.748 123.748 122.865 0.883 25762 246 1 . 1 1 49 49 LYS HA H 49 4.560 4.560 4.873 -0.313 25762 247 1 . 1 1 49 49 LYS C C 49 173.773 173.773 174.664 -0.891 25762 248 1 . 1 1 49 49 LYS CA C 49 55.899 55.899 55.505 0.394 25762 249 1 . 1 1 49 49 LYS CB C 49 36.032 36.032 36.450 -0.418 25762 250 1 . 1 1 49 49 LYS H H 49 8.539 8.539 9.151 -0.612 25762 251 1 . 1 1 50 50 THR N N 50 117.276 117.276 118.886 -1.609 25762 252 1 . 1 1 50 50 THR HA H 50 5.330 5.330 5.212 0.118 25762 253 1 . 1 1 50 50 THR C C 50 174.047 174.047 173.876 0.171 25762 254 1 . 1 1 50 50 THR CA C 50 61.169 61.169 60.944 0.225 25762 255 1 . 1 1 50 50 THR CB C 50 71.019 71.019 70.700 0.319 25762 256 1 . 1 1 50 50 THR H H 50 8.416 8.416 8.369 0.047 25762 257 1 . 1 1 51 51 GLN N N 51 123.996 123.996 124.232 -0.236 25762 258 1 . 1 1 51 51 GLN HA H 51 4.680 4.680 4.735 -0.055 25762 259 1 . 1 1 51 51 GLN C C 51 174.453 174.453 174.244 0.209 25762 260 1 . 1 1 51 51 GLN CA C 51 54.079 54.079 54.389 -0.310 25762 261 1 . 1 1 51 51 GLN CB C 51 34.352 34.352 33.118 1.234 25762 262 1 . 1 1 51 51 GLN H H 51 9.034 9.034 9.206 -0.172 25762 263 1 . 1 1 52 52 ARG N N 52 124.759 124.759 122.450 2.309 25762 264 1 . 1 1 52 52 ARG HA H 52 4.600 4.600 4.788 -0.188 25762 265 1 . 1 1 52 52 ARG C C 52 174.978 174.978 175.669 -0.691 25762 266 1 . 1 1 52 52 ARG CA C 52 56.600 56.600 55.598 1.002 25762 267 1 . 1 1 52 52 ARG CB C 52 30.812 30.812 30.683 0.129 25762 268 1 . 1 1 52 52 ARG H H 52 8.520 8.520 8.476 0.045 25762 269 1 . 1 1 53 53 CYS N N 53 120.158 120.158 123.766 -3.608 25762 270 1 . 1 1 53 53 CYS HA H 53 4.130 4.130 4.581 -0.451 25762 271 1 . 1 1 53 53 CYS C C 53 170.755 170.755 174.262 -3.507 25762 272 1 . 1 1 53 53 CYS CA C 53 54.574 54.574 58.321 -3.747 25762 273 1 . 1 1 53 53 CYS CB C 53 47.178 47.178 29.008 18.170 25762 274 1 . 1 1 53 53 CYS H H 53 8.167 8.167 8.604 -0.437 25762 275 1 . 1 1 54 54 LYS N N 54 120.283 120.283 121.886 -1.603 25762 276 1 . 1 1 54 54 LYS HA H 54 4.840 4.840 4.569 0.271 25762 277 1 . 1 1 54 54 LYS C C 54 175.166 175.166 175.136 0.030 25762 278 1 . 1 1 54 54 LYS CA C 54 55.611 55.611 55.502 0.109 25762 279 1 . 1 1 54 54 LYS CB C 54 36.066 36.066 33.803 2.263 25762 280 1 . 1 1 54 54 LYS H H 54 8.489 8.489 8.397 0.092 25762 281 1 . 1 1 55 55 ILE N N 55 126.794 126.794 125.526 1.268 25762 282 1 . 1 1 55 55 ILE HA H 55 4.600 4.600 4.484 0.116 25762 283 1 . 1 1 55 55 ILE CA C 55 57.299 57.299 57.981 -0.682 25762 284 1 . 1 1 55 55 ILE CB C 55 41.759 41.759 39.361 2.397 25762 285 1 . 1 1 55 55 ILE H H 55 8.673 8.673 8.448 0.225 25762 286 1 . 1 1 56 56 PRO HA H 56 4.360 4.360 4.444 -0.084 25762 287 1 . 1 1 56 56 PRO C C 56 176.748 176.748 176.224 0.523 25762 288 1 . 1 1 56 56 PRO CA C 56 63.790 63.790 62.937 0.853 25762 289 1 . 1 1 56 56 PRO CB C 56 32.200 32.200 31.206 0.994 25762 290 1 . 1 1 57 57 CYS N N 57 121.411 121.411 120.436 0.975 25762 291 1 . 1 1 57 57 CYS HA H 57 4.160 4.160 4.424 -0.264 25762 292 1 . 1 1 57 57 CYS C C 57 174.867 174.867 174.337 0.530 25762 293 1 . 1 1 57 57 CYS CA C 57 54.490 54.490 57.972 -3.482 25762 294 1 . 1 1 57 57 CYS CB C 57 43.090 43.090 27.302 15.788 25762 295 1 . 1 1 57 57 CYS H H 57 8.782 8.782 8.244 0.538 25762 296 1 . 1 1 58 58 ASN N N 58 120.918 120.918 120.613 0.305 25762 297 1 . 1 1 58 58 ASN HA H 58 4.620 4.620 4.633 -0.013 25762 298 1 . 1 1 58 58 ASN C C 58 175.129 175.129 174.853 0.276 25762 299 1 . 1 1 58 58 ASN CA C 58 53.832 53.832 53.321 0.511 25762 300 1 . 1 1 58 58 ASN CB C 58 38.634 38.634 39.057 -0.423 25762 301 1 . 1 1 58 58 ASN H H 58 8.551 8.551 8.242 0.309 25762 302 1 . 1 1 59 59 TRP N N 59 121.791 121.791 121.249 0.542 25762 303 1 . 1 1 59 59 TRP HA H 59 4.604 4.604 4.516 0.088 25762 304 1 . 1 1 59 59 TRP C C 59 176.374 176.374 176.044 0.330 25762 305 1 . 1 1 59 59 TRP CA C 59 57.605 57.605 57.267 0.338 25762 306 1 . 1 1 59 59 TRP CB C 59 29.487 29.487 28.319 1.168 25762 307 1 . 1 1 59 59 TRP H H 59 8.010 8.010 8.147 -0.137 25762 308 1 . 1 1 60 60 LYS N N 60 122.289 122.289 122.073 0.216 25762 309 1 . 1 1 60 60 LYS HA H 60 4.070 4.070 4.428 -0.358 25762 310 1 . 1 1 60 60 LYS C C 60 176.685 176.685 176.107 0.578 25762 311 1 . 1 1 60 60 LYS CA C 60 56.926 56.926 56.059 0.868 25762 312 1 . 1 1 60 60 LYS CB C 60 32.877 32.877 33.383 -0.506 25762 313 1 . 1 1 60 60 LYS H H 60 7.751 7.751 8.251 -0.500 25762 314 1 . 1 1 61 61 LYS N N 61 121.691 121.691 121.791 -0.100 25762 315 1 . 1 1 61 61 LYS HA H 61 4.160 4.160 4.489 -0.329 25762 316 1 . 1 1 61 61 LYS C C 61 176.731 176.731 175.800 0.931 25762 317 1 . 1 1 61 61 LYS CA C 61 56.804 56.804 56.549 0.255 25762 318 1 . 1 1 61 61 LYS CB C 61 32.910 32.910 32.738 0.172 25762 319 1 . 1 1 61 61 LYS H H 61 7.963 7.963 8.402 -0.439 25762 320 1 . 1 1 62 62 GLN N N 62 120.611 120.611 120.825 -0.214 25762 321 1 . 1 1 62 62 GLN HA H 62 4.240 4.240 4.485 -0.245 25762 322 1 . 1 1 62 62 GLN C C 62 175.696 175.696 174.886 0.810 25762 323 1 . 1 1 62 62 GLN CA C 62 56.416 56.416 55.191 1.225 25762 324 1 . 1 1 62 62 GLN CB C 62 29.722 29.722 29.990 -0.268 25762 325 1 . 1 1 62 62 GLN H H 62 8.177 8.177 8.647 -0.470 25762 326 1 . 1 1 63 63 PHE N N 63 119.964 119.964 121.299 -1.336 25762 327 1 . 1 1 63 63 PHE HA H 63 4.750 4.750 4.499 0.251 25762 328 1 . 1 1 63 63 PHE C C 63 175.958 175.958 175.689 0.268 25762 329 1 . 1 1 63 63 PHE CA C 63 57.339 57.339 58.419 -1.080 25762 330 1 . 1 1 63 63 PHE CB C 63 39.813 39.813 39.218 0.594 25762 331 1 . 1 1 63 63 PHE H H 63 7.990 7.990 8.372 -0.382 25762 332 1 . 1 1 64 64 GLY N N 64 110.674 110.674 110.460 0.214 25762 333 1 . 1 1 64 64 GLY C C 64 174.297 174.297 173.252 1.045 25762 334 1 . 1 1 64 64 GLY CA C 64 45.306 45.306 45.021 0.285 25762 335 1 . 1 1 64 64 GLY H H 64 8.427 8.427 8.217 0.210 25762 336 1 . 1 1 65 65 ALA N N 65 124.213 124.213 123.747 0.467 25762 337 1 . 1 1 65 65 ALA HA H 65 4.260 4.260 4.426 -0.166 25762 338 1 . 1 1 65 65 ALA C C 65 178.028 178.028 177.889 0.139 25762 339 1 . 1 1 65 65 ALA CA C 65 53.400 53.400 53.037 0.363 25762 340 1 . 1 1 65 65 ALA CB C 65 19.372 19.372 19.286 0.085 25762 341 1 . 1 1 65 65 ALA H H 65 8.316 8.316 8.225 0.091 25762 342 1 . 1 1 66 66 GLU N N 66 117.489 117.489 117.691 -0.202 25762 343 1 . 1 1 66 66 GLU HA H 66 4.240 4.240 4.417 -0.177 25762 344 1 . 1 1 66 66 GLU C C 66 175.127 175.127 176.327 -1.200 25762 345 1 . 1 1 66 66 GLU CA C 66 57.205 57.205 56.217 0.988 25762 346 1 . 1 1 66 66 GLU CB C 66 29.924 29.924 30.094 -0.170 25762 347 1 . 1 1 66 66 GLU H H 66 8.697 8.697 8.521 0.176 25762 348 1 . 1 1 67 67 CYS N N 67 119.305 119.305 118.317 0.988 25762 349 1 . 1 1 67 67 CYS HA H 67 4.310 4.310 4.474 -0.164 25762 350 1 . 1 1 67 67 CYS C C 67 172.436 172.436 174.321 -1.885 25762 351 1 . 1 1 67 67 CYS CA C 67 53.300 53.300 58.143 -4.844 25762 352 1 . 1 1 67 67 CYS CB C 67 41.122 41.122 28.492 12.630 25762 353 1 . 1 1 67 67 CYS H H 67 7.758 7.758 7.812 -0.054 25762 354 1 . 1 1 68 68 LYS N N 68 123.248 123.248 122.017 1.231 25762 355 1 . 1 1 68 68 LYS HA H 68 4.680 4.680 4.618 0.062 25762 356 1 . 1 1 68 68 LYS C C 68 174.804 174.804 174.558 0.246 25762 357 1 . 1 1 68 68 LYS CA C 68 54.009 54.009 55.570 -1.561 25762 358 1 . 1 1 68 68 LYS CB C 68 33.651 33.651 34.577 -0.926 25762 359 1 . 1 1 68 68 LYS H H 68 8.174 8.174 8.392 -0.218 25762 360 1 . 1 1 69 69 TYR N N 69 122.635 122.635 122.412 0.223 25762 361 1 . 1 1 69 69 TYR HA H 69 4.410 4.410 5.009 -0.599 25762 362 1 . 1 1 69 69 TYR C C 69 174.602 174.602 175.163 -0.561 25762 363 1 . 1 1 69 69 TYR CA C 69 58.204 58.204 56.996 1.208 25762 364 1 . 1 1 69 69 TYR CB C 69 42.100 42.100 41.203 0.897 25762 365 1 . 1 1 69 69 TYR H H 69 8.769 8.769 8.617 0.152 25762 366 1 . 1 1 70 70 GLN N N 70 120.984 120.984 123.988 -3.004 25762 367 1 . 1 1 70 70 GLN HA H 70 4.590 4.590 4.707 -0.117 25762 368 1 . 1 1 70 70 GLN C C 70 175.634 175.634 174.466 1.168 25762 369 1 . 1 1 70 70 GLN CA C 70 54.108 54.108 54.261 -0.153 25762 370 1 . 1 1 70 70 GLN CB C 70 29.900 29.900 31.472 -1.572 25762 371 1 . 1 1 70 70 GLN H H 70 8.573 8.573 8.495 0.078 25762 372 1 . 1 1 71 71 PHE N N 71 127.389 127.389 123.632 3.757 25762 373 1 . 1 1 71 71 PHE HA H 71 4.970 4.970 5.191 -0.221 25762 374 1 . 1 1 71 71 PHE C C 71 177.149 177.149 175.553 1.596 25762 375 1 . 1 1 71 71 PHE CA C 71 58.976 58.976 56.432 2.544 25762 376 1 . 1 1 71 71 PHE CB C 71 40.837 40.837 40.133 0.704 25762 377 1 . 1 1 71 71 PHE H H 71 9.255 9.255 8.596 0.659 25762 378 1 . 1 1 72 72 GLN N N 72 121.514 121.514 122.412 -0.898 25762 379 1 . 1 1 72 72 GLN HA H 72 4.440 4.440 4.577 -0.137 25762 380 1 . 1 1 72 72 GLN C C 72 176.721 176.721 174.870 1.851 25762 381 1 . 1 1 72 72 GLN CA C 72 54.707 54.707 54.756 -0.049 25762 382 1 . 1 1 72 72 GLN CB C 72 29.983 29.983 31.294 -1.310 25762 383 1 . 1 1 72 72 GLN H H 72 8.273 8.273 9.099 -0.826 25762 384 1 . 1 1 73 73 ALA N N 73 122.414 122.414 124.889 -2.475 25762 385 1 . 1 1 73 73 ALA HA H 73 4.220 4.220 4.470 -0.250 25762 386 1 . 1 1 73 73 ALA C C 73 178.776 178.776 176.677 2.099 25762 387 1 . 1 1 73 73 ALA CA C 73 52.751 52.751 51.908 0.843 25762 388 1 . 1 1 73 73 ALA CB C 73 19.559 19.559 18.741 0.818 25762 389 1 . 1 1 73 73 ALA H H 73 8.293 8.293 8.710 -0.417 25762 390 1 . 1 1 74 74 TRP N N 74 120.412 120.412 124.289 -3.877 25762 391 1 . 1 1 74 74 TRP HA H 74 4.260 4.260 4.674 -0.414 25762 392 1 . 1 1 74 74 TRP C C 74 178.290 178.290 176.165 2.125 25762 393 1 . 1 1 74 74 TRP CA C 74 58.982 58.982 57.153 1.829 25762 394 1 . 1 1 74 74 TRP CB C 74 30.633 30.633 29.945 0.688 25762 395 1 . 1 1 74 74 TRP H H 74 8.136 8.136 8.588 -0.452 25762 396 1 . 1 1 75 75 GLY N N 75 109.881 109.881 108.590 1.291 25762 397 1 . 1 1 75 75 GLY C C 75 177.700 177.700 172.751 4.949 25762 398 1 . 1 1 75 75 GLY CA C 75 44.287 44.287 44.764 -0.477 25762 399 1 . 1 1 75 75 GLY H H 75 8.763 8.763 7.810 0.953 25762 400 1 . 1 1 76 76 GLU N N 76 116.900 116.900 122.909 -6.009 25762 401 1 . 1 1 76 76 GLU HA H 76 4.230 4.230 4.467 -0.237 25762 402 1 . 1 1 76 76 GLU C C 76 177.770 177.770 176.121 1.649 25762 403 1 . 1 1 76 76 GLU CA C 76 55.700 55.700 54.922 0.778 25762 404 1 . 1 1 76 76 GLU CB C 76 30.600 30.600 31.262 -0.662 25762 405 1 . 1 1 76 76 GLU H H 76 8.400 8.400 8.194 0.206 25762 406 1 . 1 1 77 77 CYS N N 77 121.846 121.846 123.039 -1.193 25762 407 1 . 1 1 77 77 CYS HA H 77 4.150 4.150 4.326 -0.176 25762 408 1 . 1 1 77 77 CYS C C 77 174.117 174.117 174.542 -0.425 25762 409 1 . 1 1 77 77 CYS CA C 77 56.706 56.706 58.666 -1.960 25762 410 1 . 1 1 77 77 CYS CB C 77 41.056 41.056 27.103 13.953 25762 411 1 . 1 1 77 77 CYS H H 77 8.980 8.980 8.778 0.202 25762 412 1 . 1 1 78 78 ASP N N 78 131.728 131.728 125.245 6.483 25762 413 1 . 1 1 78 78 ASP HA H 78 3.370 3.370 4.830 -1.460 25762 414 1 . 1 1 78 78 ASP C C 78 176.890 176.890 176.818 0.073 25762 415 1 . 1 1 78 78 ASP CA C 78 53.492 53.492 54.233 -0.741 25762 416 1 . 1 1 78 78 ASP CB C 78 41.819 41.819 41.655 0.164 25762 417 1 . 1 1 78 78 ASP H H 78 8.279 8.279 8.688 -0.409 25762 418 1 . 1 1 79 79 LEU N N 79 127.191 127.191 126.081 1.110 25762 419 1 . 1 1 79 79 LEU HA H 79 3.990 3.990 4.116 -0.126 25762 420 1 . 1 1 79 79 LEU C C 79 178.627 178.627 178.064 0.564 25762 421 1 . 1 1 79 79 LEU CA C 79 57.179 57.179 57.368 -0.189 25762 422 1 . 1 1 79 79 LEU CB C 79 41.642 41.642 41.793 -0.151 25762 423 1 . 1 1 79 79 LEU H H 79 8.763 8.763 8.520 0.243 25762 424 1 . 1 1 80 80 ASN N N 80 116.238 116.238 117.357 -1.119 25762 425 1 . 1 1 80 80 ASN HA H 80 4.590 4.590 4.583 0.007 25762 426 1 . 1 1 80 80 ASN C C 80 176.905 176.905 176.433 0.472 25762 427 1 . 1 1 80 80 ASN CA C 80 55.800 55.800 55.191 0.609 25762 428 1 . 1 1 80 80 ASN CB C 80 39.151 39.151 38.560 0.591 25762 429 1 . 1 1 80 80 ASN H H 80 8.746 8.746 8.348 0.398 25762 430 1 . 1 1 81 81 THR N N 81 108.459 108.459 110.521 -2.062 25762 431 1 . 1 1 81 81 THR HA H 81 4.240 4.240 4.421 -0.181 25762 432 1 . 1 1 81 81 THR C C 81 174.727 174.727 174.740 -0.013 25762 433 1 . 1 1 81 81 THR CA C 81 61.540 61.540 61.330 0.210 25762 434 1 . 1 1 81 81 THR CB C 81 70.900 70.900 69.911 0.989 25762 435 1 . 1 1 81 81 THR H H 81 7.666 7.666 7.731 -0.065 25762 436 1 . 1 1 82 82 ALA N N 82 122.870 122.870 122.584 0.286 25762 437 1 . 1 1 82 82 ALA HA H 82 3.820 3.820 4.019 -0.199 25762 438 1 . 1 1 82 82 ALA C C 82 176.506 176.506 175.550 0.956 25762 439 1 . 1 1 82 82 ALA CA C 82 53.603 53.603 53.452 0.151 25762 440 1 . 1 1 82 82 ALA CB C 82 17.013 17.013 17.237 -0.224 25762 441 1 . 1 1 82 82 ALA H H 82 8.687 8.687 8.042 0.645 25762 442 1 . 1 1 83 83 LEU N N 83 117.374 117.374 115.943 1.431 25762 443 1 . 1 1 83 83 LEU HA H 83 5.031 5.031 4.893 0.138 25762 444 1 . 1 1 83 83 LEU C C 83 177.616 177.616 175.483 2.133 25762 445 1 . 1 1 83 83 LEU CA C 83 54.098 54.098 53.223 0.875 25762 446 1 . 1 1 83 83 LEU CB C 83 46.622 46.622 45.995 0.627 25762 447 1 . 1 1 83 83 LEU H H 83 7.353 7.353 7.531 -0.178 25762 448 1 . 1 1 84 84 LYS N N 84 122.053 122.053 120.410 1.643 25762 449 1 . 1 1 84 84 LYS HA H 84 4.940 4.940 4.731 0.209 25762 450 1 . 1 1 84 84 LYS C C 84 175.449 175.449 174.885 0.564 25762 451 1 . 1 1 84 84 LYS CA C 84 54.287 54.287 55.172 -0.885 25762 452 1 . 1 1 84 84 LYS CB C 84 36.060 36.060 35.832 0.228 25762 453 1 . 1 1 84 84 LYS H H 84 9.043 9.043 8.883 0.160 25762 454 1 . 1 1 85 85 THR N N 85 114.896 114.896 118.520 -3.624 25762 455 1 . 1 1 85 85 THR HA H 85 5.820 5.820 5.296 0.524 25762 456 1 . 1 1 85 85 THR C C 85 174.123 174.123 173.592 0.531 25762 457 1 . 1 1 85 85 THR CA C 85 61.226 61.226 60.737 0.489 25762 458 1 . 1 1 85 85 THR CB C 85 72.857 72.857 71.193 1.664 25762 459 1 . 1 1 85 85 THR H H 85 9.011 9.011 8.420 0.591 25762 460 1 . 1 1 86 86 ARG N N 86 123.804 123.804 124.357 -0.553 25762 461 1 . 1 1 86 86 ARG C C 86 173.792 173.792 174.460 -0.668 25762 462 1 . 1 1 86 86 ARG CA C 86 56.720 56.720 55.039 1.680 25762 463 1 . 1 1 86 86 ARG CB C 86 33.185 33.185 34.331 -1.147 25762 464 1 . 1 1 86 86 ARG H H 86 9.056 9.056 8.955 0.101 25762 465 1 . 1 1 87 87 THR N N 87 117.796 117.796 119.267 -1.471 25762 466 1 . 1 1 87 87 THR HA H 87 5.270 5.270 5.375 -0.105 25762 467 1 . 1 1 87 87 THR C C 87 173.939 173.939 173.607 0.332 25762 468 1 . 1 1 87 87 THR CA C 87 61.003 61.003 61.232 -0.229 25762 469 1 . 1 1 87 87 THR CB C 87 71.091 71.091 71.569 -0.478 25762 470 1 . 1 1 87 87 THR H H 87 8.387 8.387 8.416 -0.029 25762 471 1 . 1 1 88 88 GLY N N 88 112.501 112.501 110.572 1.929 25762 472 1 . 1 1 88 88 GLY C C 88 171.645 171.645 171.911 -0.267 25762 473 1 . 1 1 88 88 GLY CA C 88 44.657 44.657 44.112 0.545 25762 474 1 . 1 1 88 88 GLY H H 88 9.074 9.074 8.986 0.088 25762 475 1 . 1 1 89 89 SER N N 89 115.802 115.802 115.690 0.112 25762 476 1 . 1 1 89 89 SER HA H 89 5.260 5.260 5.211 0.049 25762 477 1 . 1 1 89 89 SER C C 89 174.767 174.767 173.452 1.315 25762 478 1 . 1 1 89 89 SER CA C 89 56.512 56.512 56.487 0.025 25762 479 1 . 1 1 89 89 SER CB C 89 65.434 65.434 66.566 -1.132 25762 480 1 . 1 1 89 89 SER H H 89 8.217 8.217 8.339 -0.123 25762 481 1 . 1 1 90 90 LEU N N 90 128.595 128.595 125.372 3.223 25762 482 1 . 1 1 90 90 LEU HA H 90 3.420 3.420 4.549 -1.129 25762 483 1 . 1 1 90 90 LEU C C 90 176.399 176.399 177.061 -0.662 25762 484 1 . 1 1 90 90 LEU CA C 90 56.558 56.558 54.850 1.708 25762 485 1 . 1 1 90 90 LEU CB C 90 43.006 43.006 41.978 1.028 25762 486 1 . 1 1 90 90 LEU H H 90 8.555 8.555 8.604 -0.049 25762 487 1 . 1 1 91 91 LYS N N 91 128.646 128.646 126.364 2.282 25762 488 1 . 1 1 91 91 LYS HA H 91 4.330 4.330 4.338 -0.008 25762 489 1 . 1 1 91 91 LYS C C 91 176.318 176.318 176.485 -0.167 25762 490 1 . 1 1 91 91 LYS CA C 91 56.103 56.103 57.129 -1.026 25762 491 1 . 1 1 91 91 LYS CB C 91 33.565 33.565 33.495 0.070 25762 492 1 . 1 1 91 91 LYS H H 91 9.065 9.065 8.589 0.476 25762 493 1 . 1 1 92 92 ARG N N 92 118.834 118.834 118.583 0.251 25762 494 1 . 1 1 92 92 ARG HA H 92 4.220 4.220 4.458 -0.238 25762 495 1 . 1 1 92 92 ARG C C 92 173.259 173.259 173.780 -0.521 25762 496 1 . 1 1 92 92 ARG CA C 92 56.259 56.259 55.682 0.577 25762 497 1 . 1 1 92 92 ARG CB C 92 32.623 32.623 32.822 -0.199 25762 498 1 . 1 1 92 92 ARG H H 92 7.641 7.641 7.649 -0.008 25762 499 1 . 1 1 93 93 ALA N N 93 127.574 127.574 126.001 1.573 25762 500 1 . 1 1 93 93 ALA HA H 93 4.870 4.870 4.536 0.334 25762 501 1 . 1 1 93 93 ALA C C 93 177.037 177.037 175.996 1.041 25762 502 1 . 1 1 93 93 ALA CA C 93 50.949 50.949 51.029 -0.080 25762 503 1 . 1 1 93 93 ALA CB C 93 21.664 21.664 20.588 1.076 25762 504 1 . 1 1 93 93 ALA H H 93 8.451 8.451 8.307 0.144 25762 505 1 . 1 1 94 94 LEU N N 94 123.296 123.296 121.482 1.814 25762 506 1 . 1 1 94 94 LEU HA H 94 4.250 4.250 4.464 -0.214 25762 507 1 . 1 1 94 94 LEU C C 94 177.256 177.256 178.069 -0.812 25762 508 1 . 1 1 94 94 LEU CA C 94 55.137 55.137 53.903 1.234 25762 509 1 . 1 1 94 94 LEU CB C 94 42.697 42.697 43.077 -0.380 25762 510 1 . 1 1 94 94 LEU H H 94 8.654 8.654 8.311 0.343 25762 511 1 . 1 1 95 95 HIS N N 95 116.413 116.413 118.465 -2.052 25762 512 1 . 1 1 95 95 HIS HA H 95 4.430 4.430 4.508 -0.078 25762 513 1 . 1 1 95 95 HIS C C 95 174.801 174.801 175.758 -0.957 25762 514 1 . 1 1 95 95 HIS CA C 95 56.400 56.400 58.012 -1.612 25762 515 1 . 1 1 95 95 HIS CB C 95 28.218 28.218 30.303 -2.085 25762 516 1 . 1 1 95 95 HIS H H 95 8.642 8.642 8.504 0.138 25762 517 1 . 1 1 96 96 ASN N N 96 115.824 115.824 117.866 -2.042 25762 518 1 . 1 1 96 96 ASN HA H 96 4.450 4.450 4.775 -0.325 25762 519 1 . 1 1 96 96 ASN C C 96 175.026 175.026 173.775 1.251 25762 520 1 . 1 1 96 96 ASN CA C 96 53.692 53.692 52.775 0.917 25762 521 1 . 1 1 96 96 ASN CB C 96 38.056 38.056 38.169 -0.113 25762 522 1 . 1 1 96 96 ASN H H 96 8.461 8.461 8.320 0.141 25762 523 1 . 1 1 97 97 ALA N N 97 122.558 122.558 121.879 0.679 25762 524 1 . 1 1 97 97 ALA HA H 97 4.130 4.130 4.421 -0.291 25762 525 1 . 1 1 97 97 ALA C C 97 177.337 177.337 175.302 2.035 25762 526 1 . 1 1 97 97 ALA CA C 97 53.430 53.430 52.048 1.382 25762 527 1 . 1 1 97 97 ALA CB C 97 20.204 20.204 20.781 -0.577 25762 528 1 . 1 1 97 97 ALA H H 97 7.791 7.791 7.346 0.445 25762 529 1 . 1 1 98 98 GLU N N 98 120.504 120.504 122.056 -1.552 25762 530 1 . 1 1 98 98 GLU HA H 98 4.320 4.320 4.575 -0.255 25762 531 1 . 1 1 98 98 GLU C C 98 176.154 176.154 175.492 0.662 25762 532 1 . 1 1 98 98 GLU CA C 98 56.630 56.630 55.723 0.907 25762 533 1 . 1 1 98 98 GLU CB C 98 29.496 29.496 30.342 -0.846 25762 534 1 . 1 1 98 98 GLU H H 98 8.478 8.478 8.442 0.036 25762 535 1 . 1 1 99 99 CYS N N 99 122.399 122.399 121.973 0.426 25762 536 1 . 1 1 99 99 CYS HA H 99 4.820 4.820 4.724 0.096 25762 537 1 . 1 1 99 99 CYS C C 99 174.711 174.711 174.560 0.151 25762 538 1 . 1 1 99 99 CYS CA C 99 53.985 53.985 57.849 -3.863 25762 539 1 . 1 1 99 99 CYS CB C 99 44.177 44.177 29.422 14.756 25762 540 1 . 1 1 99 99 CYS H H 99 7.978 7.978 8.659 -0.681 25762 541 1 . 1 1 100 100 GLN N N 100 123.539 123.539 123.758 -0.219 25762 542 1 . 1 1 100 100 GLN HA H 100 4.300 4.300 4.403 -0.103 25762 543 1 . 1 1 100 100 GLN C C 100 178.317 178.317 176.008 2.309 25762 544 1 . 1 1 100 100 GLN CA C 100 56.157 56.157 55.808 0.349 25762 545 1 . 1 1 100 100 GLN CB C 100 29.303 29.303 29.600 -0.297 25762 546 1 . 1 1 100 100 GLN H H 100 8.864 8.864 8.704 0.160 25762 547 1 . 1 1 101 101 LYS N N 101 125.153 125.153 120.482 4.671 25762 548 1 . 1 1 101 101 LYS HA H 101 4.020 4.020 4.176 -0.156 25762 549 1 . 1 1 101 101 LYS C C 101 176.669 176.669 176.332 0.337 25762 550 1 . 1 1 101 101 LYS CA C 101 59.876 59.876 58.110 1.766 25762 551 1 . 1 1 101 101 LYS CB C 101 32.760 32.760 32.747 0.013 25762 552 1 . 1 1 101 101 LYS H H 101 9.063 9.063 8.629 0.434 25762 553 1 . 1 1 102 102 THR N N 102 111.208 111.208 111.317 -0.109 25762 554 1 . 1 1 102 102 THR HA H 102 5.260 5.260 5.088 0.172 25762 555 1 . 1 1 102 102 THR C C 102 173.097 173.097 173.138 -0.041 25762 556 1 . 1 1 102 102 THR CA C 102 59.922 59.922 60.448 -0.526 25762 557 1 . 1 1 102 102 THR CB C 102 71.788 71.788 71.023 0.765 25762 558 1 . 1 1 102 102 THR H H 102 7.706 7.706 7.373 0.333 25762 559 1 . 1 1 103 103 VAL N N 103 117.395 117.395 120.354 -2.959 25762 560 1 . 1 1 103 103 VAL HA H 103 4.510 4.510 4.628 -0.118 25762 561 1 . 1 1 103 103 VAL C C 103 174.132 174.132 173.944 0.188 25762 562 1 . 1 1 103 103 VAL CA C 103 59.538 59.538 60.014 -0.476 25762 563 1 . 1 1 103 103 VAL CB C 103 35.523 35.523 35.161 0.362 25762 564 1 . 1 1 103 103 VAL H H 103 8.192 8.192 9.025 -0.833 25762 565 1 . 1 1 104 104 THR N N 104 117.862 117.862 119.645 -1.783 25762 566 1 . 1 1 104 104 THR HA H 104 5.098 5.098 5.115 -0.017 25762 567 1 . 1 1 104 104 THR C C 104 173.646 173.646 173.755 -0.109 25762 568 1 . 1 1 104 104 THR CA C 104 61.458 61.458 61.231 0.227 25762 569 1 . 1 1 104 104 THR CB C 104 71.177 71.177 70.332 0.845 25762 570 1 . 1 1 104 104 THR H H 104 8.332 8.332 8.265 0.067 25762 571 1 . 1 1 105 105 ILE N N 105 124.431 124.431 124.972 -0.541 25762 572 1 . 1 1 105 105 ILE HA H 105 4.670 4.670 4.641 0.029 25762 573 1 . 1 1 105 105 ILE C C 105 174.296 174.296 173.585 0.711 25762 574 1 . 1 1 105 105 ILE CA C 105 59.695 59.695 60.068 -0.373 25762 575 1 . 1 1 105 105 ILE CB C 105 41.116 41.116 41.493 -0.377 25762 576 1 . 1 1 105 105 ILE H H 105 8.868 8.868 8.725 0.143 25762 577 1 . 1 1 106 106 SER N N 106 118.430 118.430 121.356 -2.926 25762 578 1 . 1 1 106 106 SER HA H 106 3.760 3.760 5.238 -1.478 25762 579 1 . 1 1 106 106 SER C C 106 173.441 173.441 173.438 0.003 25762 580 1 . 1 1 106 106 SER CA C 106 56.877 56.877 56.846 0.031 25762 581 1 . 1 1 106 106 SER CB C 106 67.115 67.115 65.158 1.957 25762 582 1 . 1 1 106 106 SER H H 106 8.559 8.559 8.488 0.071 25762 583 1 . 1 1 107 107 LYS N N 107 121.976 121.976 124.290 -2.314 25762 584 1 . 1 1 107 107 LYS CA C 107 53.625 53.625 53.012 0.613 25762 585 1 . 1 1 107 107 LYS CB C 107 35.515 35.515 35.136 0.379 25762 586 1 . 1 1 107 107 LYS H H 107 9.060 9.060 8.973 0.087 25762 587 1 . 1 1 108 108 PRO HA H 108 4.940 4.940 4.494 0.446 25762 588 1 . 1 1 108 108 PRO C C 108 176.741 176.741 176.063 0.678 25762 589 1 . 1 1 108 108 PRO CA C 108 62.870 62.870 63.016 -0.146 25762 590 1 . 1 1 108 108 PRO CB C 108 32.590 32.590 31.377 1.213 25762 591 1 . 1 1 109 109 CYS N N 109 118.313 118.313 124.093 -5.780 25762 592 1 . 1 1 109 109 CYS HA H 109 4.501 4.501 4.593 -0.092 25762 593 1 . 1 1 109 109 CYS C C 109 173.369 173.369 175.827 -2.458 25762 594 1 . 1 1 109 109 CYS CA C 109 55.950 55.950 58.893 -2.942 25762 595 1 . 1 1 109 109 CYS CB C 109 44.620 44.620 28.072 16.548 25762 596 1 . 1 1 109 109 CYS H H 109 8.237 8.237 8.477 -0.240 25762 597 1 . 1 1 110 110 GLY N N 110 108.677 108.677 110.175 -1.498 25762 598 1 . 1 1 110 110 GLY C C 110 173.455 173.455 173.414 0.041 25762 599 1 . 1 1 110 110 GLY CA C 110 45.276 45.276 45.300 -0.025 25762 600 1 . 1 1 110 110 GLY H H 110 8.220 8.220 8.243 -0.023 25762 601 1 . 1 1 111 111 LYS N N 111 121.361 121.361 121.628 -0.267 25762 602 1 . 1 1 111 111 LYS HA H 111 4.270 4.270 4.315 -0.045 25762 603 1 . 1 1 111 111 LYS C C 111 176.597 176.597 175.812 0.785 25762 604 1 . 1 1 111 111 LYS CA C 111 56.420 56.420 55.951 0.468 25762 605 1 . 1 1 111 111 LYS CB C 111 33.470 33.470 32.733 0.737 25762 606 1 . 1 1 111 111 LYS H H 111 8.239 8.239 8.053 0.186 25762 607 1 . 1 1 112 112 LEU N N 112 123.971 123.971 122.663 1.308 25762 608 1 . 1 1 112 112 LEU HA H 112 4.410 4.410 4.413 -0.003 25762 609 1 . 1 1 112 112 LEU C C 112 177.404 177.404 176.536 0.868 25762 610 1 . 1 1 112 112 LEU CA C 112 55.150 55.150 54.600 0.549 25762 611 1 . 1 1 112 112 LEU CB C 112 42.349 42.349 41.879 0.470 25762 612 1 . 1 1 112 112 LEU H H 112 8.340 8.340 8.325 0.015 25762 613 1 . 1 1 113 113 THR N N 113 116.653 116.653 114.206 2.447 25762 614 1 . 1 1 113 113 THR HA H 113 4.310 4.310 4.417 -0.107 25762 615 1 . 1 1 113 113 THR C C 113 174.082 174.082 174.100 -0.018 25762 616 1 . 1 1 113 113 THR CA C 113 61.676 61.676 61.694 -0.018 25762 617 1 . 1 1 113 113 THR CB C 113 69.090 69.090 69.707 -0.617 25762 618 1 . 1 1 113 113 THR H H 113 8.150 8.150 7.965 0.185 25762 619 1 . 1 1 114 114 LYS N N 114 125.770 125.770 125.196 0.574 25762 620 1 . 1 1 114 114 LYS CA C 114 54.157 54.157 54.747 -0.590 25762 621 1 . 1 1 114 114 LYS CB C 114 32.820 32.820 32.249 0.571 25762 622 1 . 1 1 114 114 LYS H H 114 8.290 8.290 8.433 -0.143 25762 623 1 . 1 1 115 115 PRO HA H 115 4.350 4.350 4.437 -0.087 25762 624 1 . 1 1 115 115 PRO C C 115 176.679 176.679 176.405 0.274 25762 625 1 . 1 1 115 115 PRO CA C 115 62.960 62.960 62.900 0.060 25762 626 1 . 1 1 115 115 PRO CB C 115 31.860 31.860 32.325 -0.465 25762 627 1 . 1 1 116 116 LYS N N 116 123.818 123.818 120.313 3.505 25762 628 1 . 1 1 116 116 LYS CA C 116 54.338 54.338 55.880 -1.542 25762 629 1 . 1 1 116 116 LYS CB C 116 32.913 32.913 31.877 1.036 25762 630 1 . 1 1 116 116 LYS H H 116 8.441 8.441 8.430 0.011 25762 631 1 . 1 1 117 117 PRO HA H 117 4.403 4.403 4.448 -0.045 25762 632 1 . 1 1 117 117 PRO C C 117 177.038 177.038 176.531 0.507 25762 633 1 . 1 1 117 117 PRO CA C 117 63.360 63.360 63.195 0.165 25762 634 1 . 1 1 117 117 PRO CB C 117 32.060 32.060 31.643 0.417 25762 635 1 . 1 1 118 118 GLN N N 118 121.596 121.596 120.901 0.695 25762 636 1 . 1 1 118 118 GLN HA H 118 4.270 4.270 4.213 0.057 25762 637 1 . 1 1 118 118 GLN C C 118 175.963 175.963 175.292 0.671 25762 638 1 . 1 1 118 118 GLN CA C 118 55.916 55.916 55.977 -0.061 25762 639 1 . 1 1 118 118 GLN CB C 118 29.743 29.743 28.447 1.296 25762 640 1 . 1 1 118 118 GLN H H 118 8.510 8.510 8.526 -0.016 25762 641 1 . 1 1 119 119 ALA N N 119 126.073 126.073 122.339 3.734 25762 642 1 . 1 1 119 119 ALA HA H 119 4.270 4.270 4.335 -0.065 25762 643 1 . 1 1 119 119 ALA C C 119 177.921 177.921 177.010 0.911 25762 644 1 . 1 1 119 119 ALA CA C 119 52.765 52.765 52.028 0.737 25762 645 1 . 1 1 119 119 ALA CB C 119 19.501 19.501 19.006 0.495 25762 646 1 . 1 1 119 119 ALA H H 119 8.389 8.389 7.909 0.480 25762 647 1 . 1 1 120 120 GLU N N 120 121.107 121.107 122.385 -1.278 25762 648 1 . 1 1 120 120 GLU HA H 120 4.260 4.260 4.335 -0.075 25762 649 1 . 1 1 120 120 GLU C C 120 176.819 176.819 176.016 0.803 25762 650 1 . 1 1 120 120 GLU CA C 120 56.680 56.680 56.338 0.342 25762 651 1 . 1 1 120 120 GLU CB C 120 30.482 30.482 29.642 0.840 25762 652 1 . 1 1 120 120 GLU H H 120 8.441 8.441 8.624 -0.183 25762 653 1 . 1 1 121 121 SER N N 121 117.791 117.791 117.804 -0.013 25762 654 1 . 1 1 121 121 SER HA H 121 4.410 4.410 4.507 -0.097 25762 655 1 . 1 1 121 121 SER C C 121 174.892 174.892 174.248 0.644 25762 656 1 . 1 1 121 121 SER CA C 121 58.548 58.548 58.166 0.383 25762 657 1 . 1 1 121 121 SER CB C 121 63.668 63.668 63.643 0.025 25762 658 1 . 1 1 121 121 SER H H 121 8.379 8.379 8.214 0.165 25762 659 1 . 1 1 122 122 LYS N N 122 123.955 123.955 122.784 1.171 25762 660 1 . 1 1 122 122 LYS CA C 122 56.474 56.474 56.619 -0.145 25762 661 1 . 1 1 122 122 LYS CB C 122 33.335 33.335 32.759 0.576 25762 662 1 . 1 1 122 122 LYS H H 122 8.329 8.329 8.326 0.003 25762 663 1 . 1 1 125 125 LYS HA H 125 4.310 4.310 4.203 0.107 25762 664 1 . 1 1 125 125 LYS C C 125 176.721 176.721 176.376 0.345 25762 665 1 . 1 1 125 125 LYS CA C 125 56.580 56.580 57.129 -0.549 25762 666 1 . 1 1 125 125 LYS CB C 125 32.810 32.810 32.478 0.332 25762 667 1 . 1 1 126 126 LYS N N 126 122.569 122.569 120.217 2.352 25762 668 1 . 1 1 126 126 LYS HA H 126 4.320 4.320 4.275 0.045 25762 669 1 . 1 1 126 126 LYS C C 126 176.512 176.512 176.199 0.313 25762 670 1 . 1 1 126 126 LYS CA C 126 56.440 56.440 56.401 0.038 25762 671 1 . 1 1 126 126 LYS CB C 126 33.057 33.057 33.000 0.057 25762 672 1 . 1 1 126 126 LYS H H 126 8.169 8.169 8.035 0.134 25762 673 1 . 1 1 127 127 GLU N N 127 123.450 123.450 120.126 3.324 25762 674 1 . 1 1 127 127 GLU HA H 127 4.310 4.310 4.289 0.021 25762 675 1 . 1 1 127 127 GLU C C 127 176.800 176.800 176.690 0.110 25762 676 1 . 1 1 127 127 GLU CA C 127 56.474 56.474 56.421 0.053 25762 677 1 . 1 1 127 127 GLU CB C 127 30.620 30.620 29.504 1.116 25762 678 1 . 1 1 127 127 GLU H H 127 8.459 8.459 8.509 -0.050 25762 679 1 . 1 1 128 128 GLY N N 128 110.800 110.800 110.676 0.124 25762 680 1 . 1 1 128 128 GLY CA C 128 45.300 45.300 45.210 0.090 25762 681 1 . 1 1 128 128 GLY H H 128 8.440 8.440 8.414 0.026 25762 682 1 . 1 1 129 129 LYS HA H 129 4.270 4.270 4.373 -0.103 25762 683 1 . 1 1 129 129 LYS C C 129 176.516 176.516 175.746 0.770 25762 684 1 . 1 1 129 129 LYS CA C 129 56.480 56.480 55.558 0.922 25762 685 1 . 1 1 129 129 LYS CB C 129 32.860 32.860 32.844 0.016 25762 686 1 . 1 1 130 130 LYS N N 130 124.071 124.071 124.851 -0.780 25762 687 1 . 1 1 130 130 LYS HA H 130 4.270 4.270 4.305 -0.035 25762 688 1 . 1 1 130 130 LYS C C 130 176.545 176.545 176.210 0.335 25762 689 1 . 1 1 130 130 LYS CA C 130 56.495 56.495 56.347 0.148 25762 690 1 . 1 1 130 130 LYS CB C 130 33.020 33.020 32.530 0.490 25762 691 1 . 1 1 130 130 LYS H H 130 8.409 8.409 8.432 -0.023 25762 692 1 . 1 1 131 131 GLN N N 131 122.710 122.710 123.988 -1.278 25762 693 1 . 1 1 131 131 GLN HA H 131 4.440 4.440 4.258 0.182 25762 694 1 . 1 1 131 131 GLN C C 131 175.866 175.866 175.457 0.409 25762 695 1 . 1 1 131 131 GLN CA C 131 56.016 56.016 56.304 -0.288 25762 696 1 . 1 1 131 131 GLN CB C 131 29.663 29.663 29.157 0.506 25762 697 1 . 1 1 131 131 GLN H H 131 8.467 8.467 8.574 -0.107 25762 698 1 . 1 1 132 132 GLU N N 132 123.586 123.586 121.261 2.325 25762 699 1 . 1 1 132 132 GLU HA H 132 4.250 4.250 4.294 -0.044 25762 700 1 . 1 1 132 132 GLU C C 132 176.354 176.354 175.795 0.559 25762 701 1 . 1 1 132 132 GLU CA C 132 56.537 56.537 56.405 0.132 25762 702 1 . 1 1 132 132 GLU CB C 132 30.614 30.614 29.969 0.645 25762 703 1 . 1 1 132 132 GLU H H 132 8.490 8.490 8.603 -0.113 25762 704 1 . 1 1 133 133 LYS N N 133 123.918 123.918 121.772 2.146 25762 705 1 . 1 1 133 133 LYS HA H 133 4.280 4.280 4.237 0.043 25762 706 1 . 1 1 133 133 LYS C C 133 176.232 176.232 176.050 0.182 25762 707 1 . 1 1 133 133 LYS CA C 133 56.311 56.311 56.502 -0.191 25762 708 1 . 1 1 133 133 LYS CB C 133 33.137 33.137 32.848 0.289 25762 709 1 . 1 1 133 133 LYS H H 133 8.373 8.373 8.195 0.178 25762 710 1 . 1 1 134 134 MET N N 134 122.994 122.994 123.047 -0.053 25762 711 1 . 1 1 134 134 MET HA H 134 4.480 4.480 4.497 -0.017 25762 712 1 . 1 1 134 134 MET C C 134 175.946 175.946 176.022 -0.076 25762 713 1 . 1 1 134 134 MET CA C 134 55.563 55.563 55.155 0.407 25762 714 1 . 1 1 134 134 MET CB C 134 32.010 32.010 32.604 -0.594 25762 715 1 . 1 1 134 134 MET H H 134 8.436 8.436 8.510 -0.074 25762 716 1 . 1 1 135 135 LEU N N 135 124.454 124.454 124.741 -0.287 25762 717 1 . 1 1 135 135 LEU HA H 135 4.380 4.380 4.357 0.023 25762 718 1 . 1 1 135 135 LEU C C 135 176.158 176.158 176.393 -0.235 25762 719 1 . 1 1 135 135 LEU CA C 135 55.225 55.225 55.077 0.148 25762 720 1 . 1 1 135 135 LEU CB C 135 42.654 42.654 42.172 0.482 25762 721 1 . 1 1 135 135 LEU H H 135 8.285 8.285 8.311 -0.026 25762 stop_ save_