data_17832 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17832 _Entry.PDB_ID 2LH0 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 17832 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 3 3 MET C C 0 173.346 173.346 175.762 -2.416 17832 2 1 1 . 1 1 3 3 MET CA C 0 52.930 52.930 54.221 -1.291 17832 3 1 1 . 1 1 3 3 MET CB C 0 29.966 29.966 34.326 -4.360 17832 4 1 1 . 1 1 4 4 MET N N 1 121.822 121.822 121.846 -0.024 17832 5 1 1 . 1 1 4 4 MET HA H 1 4.378 4.378 4.419 -0.041 17832 6 1 1 . 1 1 4 4 MET C C 1 173.585 173.585 176.826 -3.241 17832 7 1 1 . 1 1 4 4 MET CA C 1 52.943 52.943 56.903 -3.960 17832 8 1 1 . 1 1 4 4 MET CB C 1 30.112 30.112 33.506 -3.394 17832 9 1 1 . 1 1 4 4 MET H H 1 8.553 8.553 8.374 0.179 17832 10 1 1 . 1 1 5 5 SER N N 2 117.291 117.291 113.803 3.488 17832 11 1 1 . 1 1 5 5 SER HA H 2 4.402 4.402 4.647 -0.245 17832 12 1 1 . 1 1 5 5 SER C C 2 171.427 171.427 172.716 -1.289 17832 13 1 1 . 1 1 5 5 SER CA C 2 55.920 55.920 58.500 -2.580 17832 14 1 1 . 1 1 5 5 SER CB C 2 61.033 61.033 63.268 -2.235 17832 15 1 1 . 1 1 5 5 SER H H 2 8.337 8.337 7.950 0.387 17832 16 1 1 . 1 1 6 6 LYS N N 3 121.932 121.932 123.726 -1.794 17832 17 1 1 . 1 1 6 6 LYS HA H 3 4.282 4.282 4.806 -0.524 17832 18 1 1 . 1 1 6 6 LYS C C 3 173.822 173.822 175.294 -1.472 17832 19 1 1 . 1 1 6 6 LYS CA C 3 53.556 53.556 56.113 -2.557 17832 20 1 1 . 1 1 6 6 LYS CB C 3 30.569 30.569 34.148 -3.579 17832 21 1 1 . 1 1 6 6 LYS H H 3 8.216 8.216 8.140 0.076 17832 22 1 1 . 1 1 7 7 LEU N N 4 123.131 123.131 118.738 4.393 17832 23 1 1 . 1 1 7 7 LEU HA H 4 4.310 4.310 4.443 -0.133 17832 24 1 1 . 1 1 7 7 LEU C C 4 176.226 176.226 177.670 -1.444 17832 25 1 1 . 1 1 7 7 LEU CA C 4 52.753 52.753 55.528 -2.775 17832 26 1 1 . 1 1 7 7 LEU CB C 4 39.626 39.626 42.084 -2.458 17832 27 1 1 . 1 1 7 7 LEU H H 4 8.301 8.301 8.507 -0.206 17832 28 1 1 . 1 1 8 8 PHE N N 5 122.547 122.547 123.865 -1.318 17832 29 1 1 . 1 1 8 8 PHE HA H 5 4.313 4.313 4.387 -0.074 17832 30 1 1 . 1 1 8 8 PHE CA C 5 56.963 56.963 59.872 -2.909 17832 31 1 1 . 1 1 8 8 PHE CB C 5 35.205 35.205 38.551 -3.346 17832 32 1 1 . 1 1 8 8 PHE H H 5 8.764 8.764 8.737 0.027 17832 33 1 1 . 1 1 9 9 LEU HA H 6 3.079 3.079 3.852 -0.773 17832 34 1 1 . 1 1 9 9 LEU C C 6 175.830 175.830 177.155 -1.325 17832 35 1 1 . 1 1 9 9 LEU CA C 6 54.075 54.075 56.647 -2.572 17832 36 1 1 . 1 1 9 9 LEU CB C 6 38.429 38.429 41.293 -2.864 17832 37 1 1 . 1 1 10 10 ASP N N 7 116.164 116.164 117.599 -1.435 17832 38 1 1 . 1 1 10 10 ASP HA H 7 4.294 4.294 4.691 -0.397 17832 39 1 1 . 1 1 10 10 ASP C C 7 174.240 174.240 175.939 -1.699 17832 40 1 1 . 1 1 10 10 ASP CA C 7 53.201 53.201 55.082 -1.881 17832 41 1 1 . 1 1 10 10 ASP CB C 7 37.826 37.826 40.989 -3.163 17832 42 1 1 . 1 1 10 10 ASP H H 7 7.488 7.488 7.583 -0.095 17832 43 1 1 . 1 1 11 11 GLU N N 8 116.711 116.711 119.199 -2.488 17832 44 1 1 . 1 1 11 11 GLU HA H 8 4.296 4.296 4.494 -0.198 17832 45 1 1 . 1 1 11 11 GLU C C 8 173.322 173.322 174.991 -1.669 17832 46 1 1 . 1 1 11 11 GLU CA C 8 53.231 53.231 56.219 -2.988 17832 47 1 1 . 1 1 11 11 GLU CB C 8 27.333 27.333 29.957 -2.624 17832 48 1 1 . 1 1 11 11 GLU H H 8 7.496 7.496 7.738 -0.242 17832 49 1 1 . 1 1 12 12 LEU N N 9 117.751 117.751 115.205 2.546 17832 50 1 1 . 1 1 12 12 LEU HA H 9 4.313 4.313 4.683 -0.370 17832 51 1 1 . 1 1 12 12 LEU C C 9 171.541 171.541 174.071 -2.530 17832 52 1 1 . 1 1 12 12 LEU CA C 9 49.264 49.264 52.172 -2.908 17832 53 1 1 . 1 1 12 12 LEU CB C 9 38.581 38.581 42.184 -3.603 17832 54 1 1 . 1 1 12 12 LEU H H 9 6.803 6.803 7.461 -0.658 17832 55 1 1 . 1 1 13 13 PRO HA H 10 4.311 4.311 4.317 -0.006 17832 56 1 1 . 1 1 13 13 PRO C C 10 174.746 174.746 177.690 -2.944 17832 57 1 1 . 1 1 13 13 PRO CA C 10 60.083 60.083 62.678 -2.595 17832 58 1 1 . 1 1 13 13 PRO CB C 10 29.131 29.131 32.614 -3.483 17832 59 1 1 . 1 1 14 14 GLU N N 11 125.693 125.693 122.324 3.369 17832 60 1 1 . 1 1 14 14 GLU HA H 11 3.854 3.854 3.999 -0.145 17832 61 1 1 . 1 1 14 14 GLU C C 11 175.180 175.180 178.940 -3.760 17832 62 1 1 . 1 1 14 14 GLU CA C 11 57.035 57.035 59.600 -2.565 17832 63 1 1 . 1 1 14 14 GLU CB C 11 26.761 26.761 29.535 -2.774 17832 64 1 1 . 1 1 14 14 GLU H H 11 8.777 8.777 8.855 -0.078 17832 65 1 1 . 1 1 15 15 SER N N 12 111.734 111.734 114.983 -3.249 17832 66 1 1 . 1 1 15 15 SER HA H 12 3.884 3.884 4.154 -0.270 17832 67 1 1 . 1 1 15 15 SER C C 12 173.687 173.687 176.297 -2.610 17832 68 1 1 . 1 1 15 15 SER CA C 12 58.230 58.230 61.345 -3.115 17832 69 1 1 . 1 1 15 15 SER CB C 12 58.977 58.977 62.710 -3.733 17832 70 1 1 . 1 1 15 15 SER H H 12 8.563 8.563 8.413 0.150 17832 71 1 1 . 1 1 16 16 LEU N N 13 122.925 122.925 121.404 1.521 17832 72 1 1 . 1 1 16 16 LEU HA H 13 4.081 4.081 4.114 -0.033 17832 73 1 1 . 1 1 16 16 LEU C C 13 175.385 175.385 177.983 -2.598 17832 74 1 1 . 1 1 16 16 LEU CA C 13 54.057 54.057 57.024 -2.967 17832 75 1 1 . 1 1 16 16 LEU CB C 13 39.498 39.498 42.109 -2.611 17832 76 1 1 . 1 1 16 16 LEU H H 13 6.828 6.828 7.348 -0.520 17832 77 1 1 . 1 1 17 17 SER N N 14 114.839 114.839 114.732 0.107 17832 78 1 1 . 1 1 17 17 SER HA H 14 3.585 3.585 3.962 -0.377 17832 79 1 1 . 1 1 17 17 SER C C 14 175.435 175.435 177.054 -1.619 17832 80 1 1 . 1 1 17 17 SER CA C 14 58.835 58.835 61.273 -2.438 17832 81 1 1 . 1 1 17 17 SER CB C 14 59.345 59.345 62.751 -3.406 17832 82 1 1 . 1 1 17 17 SER H H 14 8.266 8.266 8.228 0.038 17832 83 1 1 . 1 1 18 18 ARG N N 15 121.474 121.474 122.282 -0.808 17832 84 1 1 . 1 1 18 18 ARG HA H 15 3.897 3.897 4.125 -0.228 17832 85 1 1 . 1 1 18 18 ARG C C 15 176.749 176.749 178.402 -1.653 17832 86 1 1 . 1 1 18 18 ARG CA C 15 56.827 56.827 59.265 -2.438 17832 87 1 1 . 1 1 18 18 ARG CB C 15 27.154 27.154 30.540 -3.386 17832 88 1 1 . 1 1 18 18 ARG H H 15 8.385 8.385 8.041 0.344 17832 89 1 1 . 1 1 19 19 LYS N N 16 119.494 119.494 119.260 0.234 17832 90 1 1 . 1 1 19 19 LYS HA H 16 3.947 3.947 4.119 -0.172 17832 91 1 1 . 1 1 19 19 LYS C C 16 177.319 177.319 179.232 -1.913 17832 92 1 1 . 1 1 19 19 LYS CA C 16 57.412 57.412 59.117 -1.705 17832 93 1 1 . 1 1 19 19 LYS CB C 16 30.432 30.432 32.054 -1.622 17832 94 1 1 . 1 1 19 19 LYS H H 16 7.269 7.269 7.469 -0.200 17832 95 1 1 . 1 1 20 20 ILE N N 17 120.972 120.972 120.002 0.970 17832 96 1 1 . 1 1 20 20 ILE HA H 17 2.813 2.813 3.869 -1.056 17832 97 1 1 . 1 1 20 20 ILE C C 17 175.324 175.324 177.924 -2.600 17832 98 1 1 . 1 1 20 20 ILE CA C 17 63.012 63.012 64.770 -1.758 17832 99 1 1 . 1 1 20 20 ILE CB C 17 34.710 34.710 37.825 -3.115 17832 100 1 1 . 1 1 20 20 ILE H H 17 7.993 7.993 8.344 -0.351 17832 101 1 1 . 1 1 21 21 GLY N N 18 106.894 106.894 106.792 0.102 17832 102 1 1 . 1 1 21 21 GLY C C 18 173.161 173.161 176.206 -3.045 17832 103 1 1 . 1 1 21 21 GLY CA C 18 44.450 44.450 47.511 -3.061 17832 104 1 1 . 1 1 21 21 GLY H H 18 8.259 8.259 8.217 0.042 17832 105 1 1 . 1 1 22 22 THR N N 19 113.696 113.696 116.153 -2.457 17832 106 1 1 . 1 1 22 22 THR HA H 19 3.946 3.946 4.229 -0.283 17832 107 1 1 . 1 1 22 22 THR C C 19 173.081 173.081 176.010 -2.929 17832 108 1 1 . 1 1 22 22 THR CA C 19 62.984 62.984 65.262 -2.278 17832 109 1 1 . 1 1 22 22 THR CB C 19 66.403 66.403 68.934 -2.531 17832 110 1 1 . 1 1 22 22 THR H H 19 7.502 7.502 7.524 -0.022 17832 111 1 1 . 1 1 23 23 VAL N N 20 123.120 123.120 120.714 2.406 17832 112 1 1 . 1 1 23 23 VAL HA H 20 3.649 3.649 4.040 -0.391 17832 113 1 1 . 1 1 23 23 VAL C C 20 174.858 174.858 178.120 -3.262 17832 114 1 1 . 1 1 23 23 VAL CA C 20 62.761 62.761 64.747 -1.986 17832 115 1 1 . 1 1 23 23 VAL CB C 20 29.222 29.222 31.752 -2.530 17832 116 1 1 . 1 1 23 23 VAL H H 20 7.168 7.168 7.357 -0.189 17832 117 1 1 . 1 1 24 24 VAL N N 21 119.729 119.729 120.111 -0.382 17832 118 1 1 . 1 1 24 24 VAL HA H 21 3.541 3.541 3.835 -0.294 17832 119 1 1 . 1 1 24 24 VAL C C 21 174.410 174.410 177.502 -3.092 17832 120 1 1 . 1 1 24 24 VAL CA C 21 61.966 61.966 65.490 -3.524 17832 121 1 1 . 1 1 24 24 VAL CB C 21 29.360 29.360 31.364 -2.004 17832 122 1 1 . 1 1 24 24 VAL H H 21 8.129 8.129 8.728 -0.599 17832 123 1 1 . 1 1 25 25 ARG N N 22 116.239 116.239 118.993 -2.754 17832 124 1 1 . 1 1 25 25 ARG HA H 22 3.952 3.952 4.059 -0.107 17832 125 1 1 . 1 1 25 25 ARG C C 22 174.899 174.899 177.515 -2.616 17832 126 1 1 . 1 1 25 25 ARG CA C 22 56.097 56.097 58.682 -2.585 17832 127 1 1 . 1 1 25 25 ARG CB C 22 27.473 27.473 30.100 -2.627 17832 128 1 1 . 1 1 25 25 ARG H H 22 7.633 7.633 7.659 -0.026 17832 129 1 1 . 1 1 26 26 VAL N N 23 115.006 115.006 117.486 -2.480 17832 130 1 1 . 1 1 26 26 VAL HA H 23 3.995 3.995 4.003 -0.008 17832 131 1 1 . 1 1 26 26 VAL C C 23 173.187 173.187 176.641 -3.454 17832 132 1 1 . 1 1 26 26 VAL CA C 23 61.107 61.107 64.102 -2.995 17832 133 1 1 . 1 1 26 26 VAL CB C 23 29.977 29.977 32.608 -2.631 17832 134 1 1 . 1 1 26 26 VAL H H 23 6.886 6.886 7.580 -0.694 17832 135 1 1 . 1 1 27 27 LEU N N 24 120.940 120.940 120.642 0.298 17832 136 1 1 . 1 1 27 27 LEU HA H 24 4.930 4.930 4.886 0.044 17832 137 1 1 . 1 1 27 27 LEU C C 24 171.363 171.363 175.077 -3.714 17832 138 1 1 . 1 1 27 27 LEU CA C 24 48.752 48.752 52.069 -3.317 17832 139 1 1 . 1 1 27 27 LEU CB C 24 40.669 40.669 42.120 -1.451 17832 140 1 1 . 1 1 27 27 LEU H H 24 8.338 8.338 7.302 1.036 17832 141 1 1 . 1 1 28 28 PRO HA H 25 4.767 4.767 4.444 0.323 17832 142 1 1 . 1 1 28 28 PRO C C 25 176.742 176.742 177.493 -0.751 17832 143 1 1 . 1 1 28 28 PRO CA C 25 63.453 63.453 64.731 -1.278 17832 144 1 1 . 1 1 28 28 PRO CB C 25 29.004 29.004 32.023 -3.019 17832 145 1 1 . 1 1 29 29 SER N N 26 111.726 111.726 113.581 -1.855 17832 146 1 1 . 1 1 29 29 SER HA H 26 4.422 4.422 4.369 0.053 17832 147 1 1 . 1 1 29 29 SER C C 26 172.811 172.811 176.036 -3.225 17832 148 1 1 . 1 1 29 29 SER CA C 26 57.331 57.331 59.227 -1.897 17832 149 1 1 . 1 1 29 29 SER CB C 26 59.552 59.552 62.916 -3.364 17832 150 1 1 . 1 1 29 29 SER H H 26 8.279 8.279 8.117 0.162 17832 151 1 1 . 1 1 30 30 SER N N 27 116.503 116.503 118.835 -2.332 17832 152 1 1 . 1 1 30 30 SER HA H 27 4.103 4.103 4.149 -0.046 17832 153 1 1 . 1 1 30 30 SER C C 27 174.324 174.324 176.277 -1.953 17832 154 1 1 . 1 1 30 30 SER CA C 27 58.661 58.661 60.966 -2.305 17832 155 1 1 . 1 1 30 30 SER CB C 27 61.593 61.593 63.154 -1.561 17832 156 1 1 . 1 1 30 30 SER H H 27 8.642 8.642 7.944 0.698 17832 157 1 1 . 1 1 31 31 LEU N N 28 126.322 126.322 118.970 7.352 17832 158 1 1 . 1 1 31 31 LEU HA H 28 4.281 4.281 4.475 -0.194 17832 159 1 1 . 1 1 31 31 LEU C C 28 175.385 175.385 177.987 -2.602 17832 160 1 1 . 1 1 31 31 LEU CA C 28 56.992 56.992 58.080 -1.088 17832 161 1 1 . 1 1 31 31 LEU CB C 28 38.241 38.241 40.858 -2.617 17832 162 1 1 . 1 1 31 31 LEU H H 28 7.634 7.634 7.728 -0.094 17832 163 1 1 . 1 1 32 32 GLU N N 29 114.812 114.812 119.487 -4.675 17832 164 1 1 . 1 1 32 32 GLU HA H 29 4.230 4.230 4.018 0.212 17832 165 1 1 . 1 1 32 32 GLU C C 29 175.711 175.711 178.799 -3.088 17832 166 1 1 . 1 1 32 32 GLU CA C 29 56.205 56.205 59.476 -3.271 17832 167 1 1 . 1 1 32 32 GLU CB C 29 26.903 26.903 29.460 -2.557 17832 168 1 1 . 1 1 32 32 GLU H H 29 8.283 8.283 7.406 0.877 17832 169 1 1 . 1 1 33 33 ILE N N 30 121.972 121.972 119.375 2.597 17832 170 1 1 . 1 1 33 33 ILE HA H 30 3.773 3.773 3.559 0.214 17832 171 1 1 . 1 1 33 33 ILE C C 30 175.177 175.177 178.044 -2.867 17832 172 1 1 . 1 1 33 33 ILE CA C 30 62.116 62.116 64.871 -2.755 17832 173 1 1 . 1 1 33 33 ILE CB C 30 35.018 35.018 37.669 -2.651 17832 174 1 1 . 1 1 33 33 ILE H H 30 7.477 7.477 7.285 0.192 17832 175 1 1 . 1 1 34 34 PHE N N 31 117.727 117.727 117.468 0.259 17832 176 1 1 . 1 1 34 34 PHE HA H 31 4.208 4.208 4.158 0.050 17832 177 1 1 . 1 1 34 34 PHE C C 31 174.731 174.731 177.748 -3.017 17832 178 1 1 . 1 1 34 34 PHE CA C 31 61.035 61.035 59.949 1.086 17832 179 1 1 . 1 1 34 34 PHE CB C 31 36.224 36.224 37.563 -1.339 17832 180 1 1 . 1 1 34 34 PHE H H 31 8.137 8.137 7.199 0.938 17832 181 1 1 . 1 1 35 35 GLU N N 32 118.271 118.271 119.780 -1.509 17832 182 1 1 . 1 1 35 35 GLU HA H 32 2.721 2.721 3.867 -1.146 17832 183 1 1 . 1 1 35 35 GLU C C 32 174.785 174.785 178.863 -4.078 17832 184 1 1 . 1 1 35 35 GLU CA C 32 57.304 57.304 59.836 -2.532 17832 185 1 1 . 1 1 35 35 GLU CB C 32 26.997 26.997 29.044 -2.047 17832 186 1 1 . 1 1 35 35 GLU H H 32 8.249 8.249 7.909 0.340 17832 187 1 1 . 1 1 36 36 GLU N N 33 119.678 119.678 119.226 0.452 17832 188 1 1 . 1 1 36 36 GLU HA H 33 3.887 3.887 3.994 -0.107 17832 189 1 1 . 1 1 36 36 GLU C C 33 176.760 176.760 178.781 -2.021 17832 190 1 1 . 1 1 36 36 GLU CA C 33 57.241 57.241 58.450 -1.209 17832 191 1 1 . 1 1 36 36 GLU CB C 33 26.806 26.806 29.528 -2.722 17832 192 1 1 . 1 1 36 36 GLU H H 33 7.971 7.971 7.537 0.434 17832 193 1 1 . 1 1 37 37 LEU N N 34 120.144 120.144 121.768 -1.624 17832 194 1 1 . 1 1 37 37 LEU HA H 34 4.280 4.280 4.023 0.257 17832 195 1 1 . 1 1 37 37 LEU C C 34 174.327 174.327 178.366 -4.039 17832 196 1 1 . 1 1 37 37 LEU CA C 34 55.502 55.502 57.896 -2.394 17832 197 1 1 . 1 1 37 37 LEU CB C 34 39.354 39.354 42.253 -2.899 17832 198 1 1 . 1 1 37 37 LEU H H 34 8.278 8.278 7.482 0.796 17832 199 1 1 . 1 1 38 38 TYR N N 35 119.703 119.703 117.060 2.643 17832 200 1 1 . 1 1 38 38 TYR HA H 35 4.070 4.070 4.135 -0.065 17832 201 1 1 . 1 1 38 38 TYR C C 35 173.298 173.298 177.527 -4.229 17832 202 1 1 . 1 1 38 38 TYR CA C 35 59.098 59.098 60.511 -1.413 17832 203 1 1 . 1 1 38 38 TYR CB C 35 36.534 36.534 37.505 -0.972 17832 204 1 1 . 1 1 38 38 TYR H H 35 8.417 8.417 8.328 0.089 17832 205 1 1 . 1 1 39 39 LYS N N 36 115.392 115.392 119.870 -4.478 17832 206 1 1 . 1 1 39 39 LYS HA H 36 3.621 3.621 3.607 0.014 17832 207 1 1 . 1 1 39 39 LYS C C 36 176.456 176.456 178.329 -1.873 17832 208 1 1 . 1 1 39 39 LYS CA C 36 57.011 57.011 58.724 -1.713 17832 209 1 1 . 1 1 39 39 LYS CB C 36 29.694 29.694 31.694 -2.000 17832 210 1 1 . 1 1 39 39 LYS H H 36 8.441 8.441 6.999 1.442 17832 211 1 1 . 1 1 40 40 TYR N N 37 120.325 120.325 120.753 -0.428 17832 212 1 1 . 1 1 40 40 TYR HA H 37 4.078 4.078 4.009 0.069 17832 213 1 1 . 1 1 40 40 TYR C C 37 175.043 175.043 177.104 -2.061 17832 214 1 1 . 1 1 40 40 TYR CA C 37 58.971 58.971 61.634 -2.663 17832 215 1 1 . 1 1 40 40 TYR CB C 37 35.875 35.875 38.446 -2.571 17832 216 1 1 . 1 1 40 40 TYR H H 37 8.344 8.344 7.649 0.695 17832 217 1 1 . 1 1 41 41 ALA N N 38 121.802 121.802 120.948 0.854 17832 218 1 1 . 1 1 41 41 ALA HA H 38 3.746 3.746 4.075 -0.329 17832 219 1 1 . 1 1 41 41 ALA C C 38 175.962 175.962 179.386 -3.424 17832 220 1 1 . 1 1 41 41 ALA CA C 38 51.780 51.780 54.529 -2.749 17832 221 1 1 . 1 1 41 41 ALA CB C 38 17.381 17.381 18.186 -0.805 17832 222 1 1 . 1 1 41 41 ALA H H 38 8.291 8.291 7.721 0.570 17832 223 1 1 . 1 1 42 42 LEU N N 39 116.563 116.563 119.418 -2.855 17832 224 1 1 . 1 1 42 42 LEU HA H 39 3.820 3.820 3.925 -0.105 17832 225 1 1 . 1 1 42 42 LEU C C 39 176.020 176.020 179.510 -3.490 17832 226 1 1 . 1 1 42 42 LEU CA C 39 54.011 54.011 57.994 -3.983 17832 227 1 1 . 1 1 42 42 LEU CB C 39 39.796 39.796 42.016 -2.220 17832 228 1 1 . 1 1 42 42 LEU H H 39 7.865 7.865 7.721 0.144 17832 229 1 1 . 1 1 43 43 ASN N N 40 115.561 115.561 116.815 -1.254 17832 230 1 1 . 1 1 43 43 ASN HA H 40 4.436 4.436 4.458 -0.022 17832 231 1 1 . 1 1 43 43 ASN C C 40 173.390 173.390 177.433 -4.043 17832 232 1 1 . 1 1 43 43 ASN CA C 40 51.492 51.492 56.000 -4.508 17832 233 1 1 . 1 1 43 43 ASN CB C 40 36.401 36.401 38.584 -2.183 17832 234 1 1 . 1 1 43 43 ASN H H 40 7.467 7.467 7.918 -0.451 17832 235 1 1 . 1 1 44 44 GLU N N 41 120.609 120.609 119.332 1.277 17832 236 1 1 . 1 1 44 44 GLU HA H 41 3.986 3.986 3.947 0.039 17832 237 1 1 . 1 1 44 44 GLU C C 41 174.161 174.161 177.463 -3.302 17832 238 1 1 . 1 1 44 44 GLU CA C 41 54.775 54.775 58.551 -3.776 17832 239 1 1 . 1 1 44 44 GLU CB C 41 27.094 27.094 29.518 -2.424 17832 240 1 1 . 1 1 44 44 GLU H H 41 7.817 7.817 7.585 0.232 17832 241 1 1 . 1 1 45 45 ASN N N 42 118.453 118.453 115.891 2.562 17832 242 1 1 . 1 1 45 45 ASN HA H 42 4.618 4.618 4.535 0.083 17832 243 1 1 . 1 1 45 45 ASN C C 42 172.912 172.912 175.393 -2.481 17832 244 1 1 . 1 1 45 45 ASN CA C 42 50.988 50.988 54.930 -3.942 17832 245 1 1 . 1 1 45 45 ASN CB C 42 36.267 36.267 39.360 -3.093 17832 246 1 1 . 1 1 45 45 ASN H H 42 8.087 8.087 7.636 0.451 17832 247 1 1 . 1 1 46 46 SER N N 43 115.581 115.581 114.333 1.248 17832 248 1 1 . 1 1 46 46 SER HA H 43 4.292 4.292 4.595 -0.303 17832 249 1 1 . 1 1 46 46 SER C C 43 172.136 172.136 173.018 -0.882 17832 250 1 1 . 1 1 46 46 SER CA C 43 56.202 56.202 57.850 -1.648 17832 251 1 1 . 1 1 46 46 SER CB C 43 60.909 60.909 64.968 -4.059 17832 252 1 1 . 1 1 46 46 SER H H 43 8.062 8.062 7.796 0.266 17832 253 1 1 . 1 1 47 47 ASN N N 44 120.517 120.517 122.932 -2.415 17832 254 1 1 . 1 1 47 47 ASN HA H 44 4.617 4.617 4.920 -0.303 17832 255 1 1 . 1 1 47 47 ASN C C 44 172.545 172.545 175.406 -2.861 17832 256 1 1 . 1 1 47 47 ASN CA C 44 51.174 51.174 52.681 -1.507 17832 257 1 1 . 1 1 47 47 ASN CB C 44 36.208 36.208 40.622 -4.414 17832 258 1 1 . 1 1 47 47 ASN H H 44 8.329 8.329 8.594 -0.265 17832 259 1 1 . 1 1 48 48 ASP N N 45 120.294 120.294 125.081 -4.787 17832 260 1 1 . 1 1 48 48 ASP HA H 45 4.500 4.500 4.527 -0.027 17832 261 1 1 . 1 1 48 48 ASP C C 45 173.835 173.835 176.420 -2.585 17832 262 1 1 . 1 1 48 48 ASP CA C 45 52.030 52.030 54.868 -2.838 17832 263 1 1 . 1 1 48 48 ASP CB C 45 38.326 38.326 41.729 -3.403 17832 264 1 1 . 1 1 48 48 ASP H H 45 8.220 8.220 8.604 -0.384 17832 265 1 1 . 1 1 49 49 ARG N N 46 121.139 121.139 119.756 1.383 17832 266 1 1 . 1 1 49 49 ARG HA H 46 4.274 4.274 4.441 -0.167 17832 267 1 1 . 1 1 49 49 ARG C C 46 174.032 174.032 175.990 -1.958 17832 268 1 1 . 1 1 49 49 ARG CA C 46 53.425 53.425 56.212 -2.787 17832 269 1 1 . 1 1 49 49 ARG CB C 46 27.615 27.615 30.965 -3.350 17832 270 1 1 . 1 1 49 49 ARG H H 46 8.180 8.180 8.722 -0.542 17832 271 1 1 . 1 1 50 50 SER N N 47 116.289 116.289 119.956 -3.667 17832 272 1 1 . 1 1 50 50 SER HA H 47 4.269 4.269 4.452 -0.183 17832 273 1 1 . 1 1 50 50 SER C C 47 172.337 172.337 173.740 -1.403 17832 274 1 1 . 1 1 50 50 SER CA C 47 56.379 56.379 58.688 -2.309 17832 275 1 1 . 1 1 50 50 SER CB C 47 60.970 60.970 64.055 -3.085 17832 276 1 1 . 1 1 50 50 SER H H 47 8.236 8.236 8.910 -0.674 17832 277 1 1 . 1 1 51 51 GLU N N 48 122.019 122.019 120.362 1.657 17832 278 1 1 . 1 1 51 51 GLU HA H 48 4.134 4.134 4.286 -0.152 17832 279 1 1 . 1 1 51 51 GLU C C 48 174.002 174.002 174.744 -0.742 17832 280 1 1 . 1 1 51 51 GLU CA C 48 54.285 54.285 56.559 -2.274 17832 281 1 1 . 1 1 51 51 GLU CB C 48 27.192 27.192 30.171 -2.979 17832 282 1 1 . 1 1 51 51 GLU H H 48 8.423 8.423 8.341 0.082 17832 283 1 1 . 1 1 52 52 HIS N N 49 119.075 119.075 117.800 1.275 17832 284 1 1 . 1 1 52 52 HIS HA H 49 4.486 4.486 4.329 0.157 17832 285 1 1 . 1 1 52 52 HIS C C 49 172.663 172.663 173.751 -1.088 17832 286 1 1 . 1 1 52 52 HIS CA C 49 53.775 53.775 56.348 -2.573 17832 287 1 1 . 1 1 52 52 HIS CB C 49 27.714 27.714 29.932 -2.218 17832 288 1 1 . 1 1 52 52 HIS H H 49 8.117 8.117 8.160 -0.043 17832 289 1 1 . 1 1 53 53 HIS N N 50 119.483 119.483 123.314 -3.831 17832 290 1 1 . 1 1 53 53 HIS HA H 50 4.538 4.538 4.662 -0.124 17832 291 1 1 . 1 1 53 53 HIS C C 50 172.355 172.355 174.956 -2.601 17832 292 1 1 . 1 1 53 53 HIS CA C 50 53.433 53.433 56.092 -2.659 17832 293 1 1 . 1 1 53 53 HIS CB C 50 27.694 27.694 30.061 -2.367 17832 294 1 1 . 1 1 53 53 HIS H H 50 8.068 8.068 8.676 -0.608 17832 295 1 1 . 1 1 54 54 LYS N N 51 122.136 122.136 127.370 -5.234 17832 296 1 1 . 1 1 54 54 LYS HA H 51 4.215 4.215 4.624 -0.409 17832 297 1 1 . 1 1 54 54 LYS C C 51 173.474 173.474 176.120 -2.646 17832 298 1 1 . 1 1 54 54 LYS CA C 51 53.445 53.445 56.309 -2.864 17832 299 1 1 . 1 1 54 54 LYS CB C 51 30.329 30.329 32.908 -2.579 17832 300 1 1 . 1 1 54 54 LYS H H 51 8.121 8.121 8.646 -0.525 17832 301 1 1 . 1 1 55 55 LYS N N 52 124.022 124.022 121.857 2.165 17832 302 1 1 . 1 1 55 55 LYS HA H 52 4.508 4.508 4.481 0.027 17832 303 1 1 . 1 1 55 55 LYS C C 52 171.685 171.685 174.198 -2.513 17832 304 1 1 . 1 1 55 55 LYS CA C 52 51.516 51.516 56.834 -5.317 17832 305 1 1 . 1 1 55 55 LYS CB C 52 29.818 29.818 32.234 -2.416 17832 306 1 1 . 1 1 55 55 LYS H H 52 8.262 8.262 8.527 -0.265 17832 307 1 1 . 1 1 56 56 PRO HA H 53 4.340 4.340 4.396 -0.056 17832 308 1 1 . 1 1 56 56 PRO C C 53 173.830 173.830 176.483 -2.653 17832 309 1 1 . 1 1 56 56 PRO CA C 53 60.496 60.496 62.973 -2.477 17832 310 1 1 . 1 1 56 56 PRO CB C 53 29.444 29.444 31.503 -2.059 17832 311 1 1 . 1 1 57 57 ARG N N 54 121.870 121.870 123.234 -1.364 17832 312 1 1 . 1 1 57 57 ARG HA H 54 4.279 4.279 4.468 -0.189 17832 313 1 1 . 1 1 57 57 ARG C C 54 173.560 173.560 175.657 -2.097 17832 314 1 1 . 1 1 57 57 ARG CA C 54 53.172 53.172 56.011 -2.839 17832 315 1 1 . 1 1 57 57 ARG CB C 54 28.273 28.273 31.422 -3.149 17832 316 1 1 . 1 1 57 57 ARG H H 54 8.396 8.396 8.267 0.129 17832 317 1 1 . 1 1 58 58 ILE N N 55 122.683 122.683 122.457 0.226 17832 318 1 1 . 1 1 58 58 ILE HA H 55 4.117 4.117 4.289 -0.172 17832 319 1 1 . 1 1 58 58 ILE C C 55 173.034 173.034 176.074 -3.040 17832 320 1 1 . 1 1 58 58 ILE CA C 55 58.378 58.378 60.745 -2.366 17832 321 1 1 . 1 1 58 58 ILE CB C 55 36.113 36.113 40.465 -4.352 17832 322 1 1 . 1 1 58 58 ILE H H 55 8.258 8.258 8.304 -0.046 17832 323 1 1 . 1 1 59 59 ASP N N 56 123.975 123.975 125.312 -1.337 17832 324 1 1 . 1 1 59 59 ASP HA H 56 4.581 4.581 4.485 0.096 17832 325 1 1 . 1 1 59 59 ASP C C 56 172.780 172.780 176.079 -3.299 17832 326 1 1 . 1 1 59 59 ASP CA C 56 51.525 51.525 55.893 -4.368 17832 327 1 1 . 1 1 59 59 ASP CB C 56 38.460 38.460 41.176 -2.716 17832 328 1 1 . 1 1 59 59 ASP H H 56 8.364 8.364 8.535 -0.171 17832 329 1 1 . 1 1 60 60 ASP N N 57 121.471 121.471 119.615 1.856 17832 330 1 1 . 1 1 60 60 ASP HA H 57 4.563 4.563 4.772 -0.209 17832 331 1 1 . 1 1 60 60 ASP C C 57 173.851 173.851 175.504 -1.653 17832 332 1 1 . 1 1 60 60 ASP CA C 57 51.586 51.586 54.299 -2.713 17832 333 1 1 . 1 1 60 60 ASP CB C 57 38.468 38.468 41.875 -3.407 17832 334 1 1 . 1 1 60 60 ASP H H 57 8.393 8.393 8.197 0.196 17832 335 1 1 . 1 1 61 61 SER N N 58 116.207 116.207 117.222 -1.015 17832 336 1 1 . 1 1 61 61 SER C C 58 172.389 172.389 173.747 -1.358 17832 337 1 1 . 1 1 61 61 SER CA C 58 56.129 56.129 57.698 -1.569 17832 338 1 1 . 1 1 61 61 SER CB C 58 60.945 60.945 64.399 -3.454 17832 339 1 1 . 1 1 61 61 SER H H 58 8.331 8.331 8.196 0.135 17832 340 1 1 . 1 1 62 62 SER N N 59 117.805 117.805 116.358 1.447 17832 341 1 1 . 1 1 62 62 SER C C 59 171.778 171.778 172.997 -1.219 17832 342 1 1 . 1 1 62 62 SER CA C 59 56.290 56.290 58.414 -2.124 17832 343 1 1 . 1 1 62 62 SER CB C 59 60.930 60.930 64.082 -3.152 17832 344 1 1 . 1 1 62 62 SER H H 59 8.334 8.334 8.824 -0.490 17832 345 1 1 . 1 1 63 63 ASP N N 60 122.124 122.124 120.051 2.073 17832 346 1 1 . 1 1 63 63 ASP HA H 60 4.512 4.512 4.717 -0.205 17832 347 1 1 . 1 1 63 63 ASP C C 60 173.550 173.550 175.142 -1.592 17832 348 1 1 . 1 1 63 63 ASP CA C 60 51.916 51.916 53.563 -1.647 17832 349 1 1 . 1 1 63 63 ASP CB C 60 38.264 38.264 41.985 -3.721 17832 350 1 1 . 1 1 63 63 ASP H H 60 8.278 8.278 7.892 0.386 17832 351 1 1 . 1 1 64 64 LEU N N 61 121.450 121.450 117.249 4.201 17832 352 1 1 . 1 1 64 64 LEU HA H 61 4.223 4.223 4.637 -0.414 17832 353 1 1 . 1 1 64 64 LEU C C 61 174.603 174.603 176.214 -1.611 17832 354 1 1 . 1 1 64 64 LEU CA C 61 52.640 52.640 54.766 -2.126 17832 355 1 1 . 1 1 64 64 LEU CB C 61 39.502 39.502 41.484 -1.982 17832 356 1 1 . 1 1 64 64 LEU H H 61 7.931 7.931 8.340 -0.409 17832 357 1 1 . 1 1 65 65 LEU N N 62 122.042 122.042 117.616 4.426 17832 358 1 1 . 1 1 65 65 LEU HA H 62 4.273 4.273 3.941 0.332 17832 359 1 1 . 1 1 65 65 LEU C C 62 174.372 174.372 176.622 -2.250 17832 360 1 1 . 1 1 65 65 LEU CA C 62 52.339 52.339 55.979 -3.640 17832 361 1 1 . 1 1 65 65 LEU CB C 62 39.426 39.426 42.612 -3.186 17832 362 1 1 . 1 1 65 65 LEU H H 62 8.023 8.023 7.823 0.200 17832 363 1 1 . 1 1 66 66 LYS N N 63 122.782 122.782 121.418 1.364 17832 364 1 1 . 1 1 66 66 LYS HA H 63 4.349 4.349 4.216 0.133 17832 365 1 1 . 1 1 66 66 LYS C C 63 173.936 173.936 175.909 -1.973 17832 366 1 1 . 1 1 66 66 LYS CA C 63 53.305 53.305 57.102 -3.797 17832 367 1 1 . 1 1 66 66 LYS CB C 63 30.305 30.305 31.911 -1.606 17832 368 1 1 . 1 1 66 66 LYS H H 63 8.145 8.145 8.280 -0.135 17832 369 1 1 . 1 1 67 67 THR N N 64 115.478 115.478 117.182 -1.704 17832 370 1 1 . 1 1 67 67 THR HA H 64 4.298 4.298 4.757 -0.459 17832 371 1 1 . 1 1 67 67 THR C C 64 171.473 171.473 172.980 -1.507 17832 372 1 1 . 1 1 67 67 THR CA C 64 58.943 58.943 61.680 -2.737 17832 373 1 1 . 1 1 67 67 THR CB C 64 67.038 67.038 70.301 -3.263 17832 374 1 1 . 1 1 67 67 THR H H 64 8.196 8.196 8.369 -0.173 17832 375 1 1 . 1 1 68 68 ASP N N 65 122.013 122.013 122.493 -0.480 17832 376 1 1 . 1 1 68 68 ASP C C 65 173.191 173.191 176.668 -3.477 17832 377 1 1 . 1 1 68 68 ASP CA C 65 51.628 51.628 54.997 -3.369 17832 378 1 1 . 1 1 68 68 ASP CB C 65 38.495 38.495 41.881 -3.386 17832 379 1 1 . 1 1 68 68 ASP H H 65 8.307 8.307 8.677 -0.370 17832 380 1 1 . 1 1 69 69 GLU N N 66 121.260 121.260 119.320 1.940 17832 381 1 1 . 1 1 69 69 GLU HA H 66 4.235 4.235 4.678 -0.443 17832 382 1 1 . 1 1 69 69 GLU C C 66 172.706 172.706 176.208 -3.502 17832 383 1 1 . 1 1 69 69 GLU CA C 66 53.881 53.881 55.712 -1.831 17832 384 1 1 . 1 1 69 69 GLU CB C 66 27.731 27.731 31.672 -3.941 17832 385 1 1 . 1 1 69 69 GLU H H 66 8.216 8.216 8.006 0.210 17832 386 1 2 . 1 1 3 3 MET C C 0 173.346 173.346 174.955 -1.609 17832 387 1 2 . 1 1 3 3 MET CA C 0 52.930 52.930 55.737 -2.807 17832 388 1 2 . 1 1 3 3 MET CB C 0 29.966 29.966 33.269 -3.303 17832 389 1 2 . 1 1 4 4 MET N N 1 121.822 121.822 120.950 0.872 17832 390 1 2 . 1 1 4 4 MET HA H 1 4.378 4.378 4.655 -0.277 17832 391 1 2 . 1 1 4 4 MET C C 1 173.585 173.585 175.384 -1.799 17832 392 1 2 . 1 1 4 4 MET CA C 1 52.943 52.943 56.176 -3.233 17832 393 1 2 . 1 1 4 4 MET CB C 1 30.112 30.112 33.013 -2.901 17832 394 1 2 . 1 1 4 4 MET H H 1 8.553 8.553 7.953 0.600 17832 395 1 2 . 1 1 5 5 SER N N 2 117.291 117.291 118.285 -0.994 17832 396 1 2 . 1 1 5 5 SER HA H 2 4.402 4.402 4.551 -0.149 17832 397 1 2 . 1 1 5 5 SER C C 2 171.427 171.427 173.963 -2.536 17832 398 1 2 . 1 1 5 5 SER CA C 2 55.920 55.920 58.074 -2.154 17832 399 1 2 . 1 1 5 5 SER CB C 2 61.033 61.033 63.876 -2.843 17832 400 1 2 . 1 1 5 5 SER H H 2 8.337 8.337 8.484 -0.147 17832 401 1 2 . 1 1 6 6 LYS N N 3 121.932 121.932 120.837 1.095 17832 402 1 2 . 1 1 6 6 LYS HA H 3 4.282 4.282 4.170 0.112 17832 403 1 2 . 1 1 6 6 LYS C C 3 173.822 173.822 174.989 -1.167 17832 404 1 2 . 1 1 6 6 LYS CA C 3 53.556 53.556 57.192 -3.636 17832 405 1 2 . 1 1 6 6 LYS CB C 3 30.569 30.569 32.810 -2.241 17832 406 1 2 . 1 1 6 6 LYS H H 3 8.216 8.216 7.864 0.352 17832 407 1 2 . 1 1 7 7 LEU N N 4 123.131 123.131 120.801 2.330 17832 408 1 2 . 1 1 7 7 LEU HA H 4 4.310 4.310 4.559 -0.249 17832 409 1 2 . 1 1 7 7 LEU C C 4 176.226 176.226 176.116 0.110 17832 410 1 2 . 1 1 7 7 LEU CA C 4 52.753 52.753 55.227 -2.474 17832 411 1 2 . 1 1 7 7 LEU CB C 4 39.626 39.626 42.638 -3.012 17832 412 1 2 . 1 1 7 7 LEU H H 4 8.301 8.301 8.719 -0.417 17832 413 1 2 . 1 1 8 8 PHE N N 5 122.547 122.547 121.387 1.160 17832 414 1 2 . 1 1 8 8 PHE HA H 5 4.313 4.313 4.725 -0.412 17832 415 1 2 . 1 1 8 8 PHE CA C 5 56.963 56.963 58.666 -1.703 17832 416 1 2 . 1 1 8 8 PHE CB C 5 35.205 35.205 40.134 -4.929 17832 417 1 2 . 1 1 8 8 PHE H H 5 8.764 8.764 8.157 0.607 17832 418 1 2 . 1 1 9 9 LEU HA H 6 3.079 3.079 4.358 -1.279 17832 419 1 2 . 1 1 9 9 LEU C C 6 175.830 175.830 176.125 -0.295 17832 420 1 2 . 1 1 9 9 LEU CA C 6 54.075 54.075 55.227 -1.152 17832 421 1 2 . 1 1 9 9 LEU CB C 6 38.429 38.429 41.226 -2.797 17832 422 1 2 . 1 1 10 10 ASP N N 7 116.164 116.164 117.008 -0.844 17832 423 1 2 . 1 1 10 10 ASP HA H 7 4.294 4.294 4.666 -0.372 17832 424 1 2 . 1 1 10 10 ASP C C 7 174.240 174.240 176.818 -2.578 17832 425 1 2 . 1 1 10 10 ASP CA C 7 53.201 53.201 54.528 -1.327 17832 426 1 2 . 1 1 10 10 ASP CB C 7 37.826 37.826 41.543 -3.717 17832 427 1 2 . 1 1 10 10 ASP H H 7 7.488 7.488 8.061 -0.573 17832 428 1 2 . 1 1 11 11 GLU N N 8 116.711 116.711 118.361 -1.650 17832 429 1 2 . 1 1 11 11 GLU HA H 8 4.296 4.296 4.178 0.118 17832 430 1 2 . 1 1 11 11 GLU C C 8 173.322 173.322 177.515 -4.193 17832 431 1 2 . 1 1 11 11 GLU CA C 8 53.231 53.231 57.467 -4.236 17832 432 1 2 . 1 1 11 11 GLU CB C 8 27.333 27.333 29.939 -2.606 17832 433 1 2 . 1 1 11 11 GLU H H 8 7.496 7.496 8.234 -0.738 17832 434 1 2 . 1 1 12 12 LEU N N 9 117.751 117.751 118.831 -1.080 17832 435 1 2 . 1 1 12 12 LEU HA H 9 4.313 4.313 4.357 -0.044 17832 436 1 2 . 1 1 12 12 LEU C C 9 171.541 171.541 175.023 -3.482 17832 437 1 2 . 1 1 12 12 LEU CA C 9 49.264 49.264 53.668 -4.404 17832 438 1 2 . 1 1 12 12 LEU CB C 9 38.581 38.581 40.266 -1.685 17832 439 1 2 . 1 1 12 12 LEU H H 9 6.803 6.803 7.589 -0.786 17832 440 1 2 . 1 1 13 13 PRO HA H 10 4.311 4.311 4.311 -0.000 17832 441 1 2 . 1 1 13 13 PRO C C 10 174.746 174.746 177.417 -2.671 17832 442 1 2 . 1 1 13 13 PRO CA C 10 60.083 60.083 62.921 -2.838 17832 443 1 2 . 1 1 13 13 PRO CB C 10 29.131 29.131 32.623 -3.491 17832 444 1 2 . 1 1 14 14 GLU N N 11 125.693 125.693 121.340 4.353 17832 445 1 2 . 1 1 14 14 GLU HA H 11 3.854 3.854 4.032 -0.178 17832 446 1 2 . 1 1 14 14 GLU C C 11 175.180 175.180 178.919 -3.739 17832 447 1 2 . 1 1 14 14 GLU CA C 11 57.035 57.035 59.304 -2.269 17832 448 1 2 . 1 1 14 14 GLU CB C 11 26.761 26.761 29.461 -2.700 17832 449 1 2 . 1 1 14 14 GLU H H 11 8.777 8.777 8.831 -0.054 17832 450 1 2 . 1 1 15 15 SER N N 12 111.734 111.734 115.657 -3.923 17832 451 1 2 . 1 1 15 15 SER HA H 12 3.884 3.884 4.193 -0.309 17832 452 1 2 . 1 1 15 15 SER C C 12 173.687 173.687 176.260 -2.573 17832 453 1 2 . 1 1 15 15 SER CA C 12 58.230 58.230 61.157 -2.927 17832 454 1 2 . 1 1 15 15 SER CB C 12 58.977 58.977 62.892 -3.914 17832 455 1 2 . 1 1 15 15 SER H H 12 8.563 8.563 8.168 0.395 17832 456 1 2 . 1 1 16 16 LEU N N 13 122.925 122.925 120.658 2.267 17832 457 1 2 . 1 1 16 16 LEU HA H 13 4.081 4.081 4.080 0.001 17832 458 1 2 . 1 1 16 16 LEU C C 13 175.385 175.385 178.324 -2.939 17832 459 1 2 . 1 1 16 16 LEU CA C 13 54.057 54.057 56.673 -2.616 17832 460 1 2 . 1 1 16 16 LEU CB C 13 39.498 39.498 41.920 -2.422 17832 461 1 2 . 1 1 16 16 LEU H H 13 6.828 6.828 7.934 -1.106 17832 462 1 2 . 1 1 17 17 SER N N 14 114.839 114.839 113.793 1.046 17832 463 1 2 . 1 1 17 17 SER HA H 14 3.585 3.585 4.046 -0.461 17832 464 1 2 . 1 1 17 17 SER C C 14 175.435 175.435 176.300 -0.865 17832 465 1 2 . 1 1 17 17 SER CA C 14 58.835 58.835 61.765 -2.930 17832 466 1 2 . 1 1 17 17 SER CB C 14 59.345 59.345 62.943 -3.598 17832 467 1 2 . 1 1 17 17 SER H H 14 8.266 8.266 7.891 0.375 17832 468 1 2 . 1 1 18 18 ARG N N 15 121.474 121.474 120.310 1.164 17832 469 1 2 . 1 1 18 18 ARG HA H 15 3.897 3.897 4.083 -0.186 17832 470 1 2 . 1 1 18 18 ARG C C 15 176.749 176.749 178.522 -1.773 17832 471 1 2 . 1 1 18 18 ARG CA C 15 56.827 56.827 59.323 -2.496 17832 472 1 2 . 1 1 18 18 ARG CB C 15 27.154 27.154 30.138 -2.984 17832 473 1 2 . 1 1 18 18 ARG H H 15 8.385 8.385 7.472 0.913 17832 474 1 2 . 1 1 19 19 LYS N N 16 119.494 119.494 120.376 -0.882 17832 475 1 2 . 1 1 19 19 LYS HA H 16 3.947 3.947 4.126 -0.179 17832 476 1 2 . 1 1 19 19 LYS C C 16 177.319 177.319 179.066 -1.747 17832 477 1 2 . 1 1 19 19 LYS CA C 16 57.412 57.412 59.127 -1.715 17832 478 1 2 . 1 1 19 19 LYS CB C 16 30.432 30.432 32.332 -1.900 17832 479 1 2 . 1 1 19 19 LYS H H 16 7.269 7.269 7.501 -0.232 17832 480 1 2 . 1 1 20 20 ILE N N 17 120.972 120.972 119.288 1.684 17832 481 1 2 . 1 1 20 20 ILE HA H 17 2.813 2.813 3.817 -1.004 17832 482 1 2 . 1 1 20 20 ILE C C 17 175.324 175.324 177.745 -2.421 17832 483 1 2 . 1 1 20 20 ILE CA C 17 63.012 63.012 64.714 -1.702 17832 484 1 2 . 1 1 20 20 ILE CB C 17 34.710 34.710 37.820 -3.110 17832 485 1 2 . 1 1 20 20 ILE H H 17 7.993 7.993 8.497 -0.504 17832 486 1 2 . 1 1 21 21 GLY N N 18 106.894 106.894 107.624 -0.730 17832 487 1 2 . 1 1 21 21 GLY C C 18 173.161 173.161 175.875 -2.714 17832 488 1 2 . 1 1 21 21 GLY CA C 18 44.450 44.450 47.387 -2.937 17832 489 1 2 . 1 1 21 21 GLY H H 18 8.259 8.259 8.317 -0.058 17832 490 1 2 . 1 1 22 22 THR N N 19 113.696 113.696 116.511 -2.815 17832 491 1 2 . 1 1 22 22 THR HA H 19 3.946 3.946 4.119 -0.173 17832 492 1 2 . 1 1 22 22 THR C C 19 173.081 173.081 176.057 -2.976 17832 493 1 2 . 1 1 22 22 THR CA C 19 62.984 62.984 64.955 -1.971 17832 494 1 2 . 1 1 22 22 THR CB C 19 66.403 66.403 68.948 -2.545 17832 495 1 2 . 1 1 22 22 THR H H 19 7.502 7.502 7.487 0.015 17832 496 1 2 . 1 1 23 23 VAL N N 20 123.120 123.120 120.128 2.992 17832 497 1 2 . 1 1 23 23 VAL HA H 20 3.649 3.649 3.963 -0.314 17832 498 1 2 . 1 1 23 23 VAL C C 20 174.858 174.858 177.794 -2.936 17832 499 1 2 . 1 1 23 23 VAL CA C 20 62.761 62.761 64.877 -2.116 17832 500 1 2 . 1 1 23 23 VAL CB C 20 29.222 29.222 32.193 -2.971 17832 501 1 2 . 1 1 23 23 VAL H H 20 7.168 7.168 7.416 -0.248 17832 502 1 2 . 1 1 24 24 VAL N N 21 119.729 119.729 120.020 -0.291 17832 503 1 2 . 1 1 24 24 VAL HA H 21 3.541 3.541 3.678 -0.137 17832 504 1 2 . 1 1 24 24 VAL C C 21 174.410 174.410 177.296 -2.886 17832 505 1 2 . 1 1 24 24 VAL CA C 21 61.966 61.966 66.096 -4.130 17832 506 1 2 . 1 1 24 24 VAL CB C 21 29.360 29.360 31.253 -1.893 17832 507 1 2 . 1 1 24 24 VAL H H 21 8.129 8.129 8.312 -0.183 17832 508 1 2 . 1 1 25 25 ARG N N 22 116.239 116.239 118.935 -2.696 17832 509 1 2 . 1 1 25 25 ARG HA H 22 3.952 3.952 4.074 -0.122 17832 510 1 2 . 1 1 25 25 ARG C C 22 174.899 174.899 177.927 -3.028 17832 511 1 2 . 1 1 25 25 ARG CA C 22 56.097 56.097 58.910 -2.813 17832 512 1 2 . 1 1 25 25 ARG CB C 22 27.473 27.473 30.405 -2.932 17832 513 1 2 . 1 1 25 25 ARG H H 22 7.633 7.633 7.606 0.027 17832 514 1 2 . 1 1 26 26 VAL N N 23 115.006 115.006 118.137 -3.131 17832 515 1 2 . 1 1 26 26 VAL HA H 23 3.995 3.995 3.895 0.100 17832 516 1 2 . 1 1 26 26 VAL C C 23 173.187 173.187 176.377 -3.190 17832 517 1 2 . 1 1 26 26 VAL CA C 23 61.107 61.107 65.038 -3.931 17832 518 1 2 . 1 1 26 26 VAL CB C 23 29.977 29.977 32.606 -2.629 17832 519 1 2 . 1 1 26 26 VAL H H 23 6.886 6.886 7.453 -0.567 17832 520 1 2 . 1 1 27 27 LEU N N 24 120.940 120.940 119.394 1.546 17832 521 1 2 . 1 1 27 27 LEU HA H 24 4.930 4.930 4.963 -0.033 17832 522 1 2 . 1 1 27 27 LEU C C 24 171.363 171.363 174.864 -3.501 17832 523 1 2 . 1 1 27 27 LEU CA C 24 48.752 48.752 51.944 -3.192 17832 524 1 2 . 1 1 27 27 LEU CB C 24 40.669 40.669 42.244 -1.575 17832 525 1 2 . 1 1 27 27 LEU H H 24 8.338 8.338 7.446 0.892 17832 526 1 2 . 1 1 28 28 PRO HA H 25 4.767 4.767 4.452 0.315 17832 527 1 2 . 1 1 28 28 PRO C C 25 176.742 176.742 176.992 -0.250 17832 528 1 2 . 1 1 28 28 PRO CA C 25 63.453 63.453 64.482 -1.029 17832 529 1 2 . 1 1 28 28 PRO CB C 25 29.004 29.004 31.930 -2.926 17832 530 1 2 . 1 1 29 29 SER N N 26 111.726 111.726 112.880 -1.154 17832 531 1 2 . 1 1 29 29 SER HA H 26 4.422 4.422 4.404 0.018 17832 532 1 2 . 1 1 29 29 SER C C 26 172.811 172.811 176.108 -3.297 17832 533 1 2 . 1 1 29 29 SER CA C 26 57.331 57.331 58.763 -1.432 17832 534 1 2 . 1 1 29 29 SER CB C 26 59.552 59.552 63.212 -3.660 17832 535 1 2 . 1 1 29 29 SER H H 26 8.279 8.279 8.014 0.265 17832 536 1 2 . 1 1 30 30 SER N N 27 116.503 116.503 119.207 -2.704 17832 537 1 2 . 1 1 30 30 SER HA H 27 4.103 4.103 4.386 -0.283 17832 538 1 2 . 1 1 30 30 SER C C 27 174.324 174.324 176.821 -2.497 17832 539 1 2 . 1 1 30 30 SER CA C 27 58.661 58.661 60.648 -1.987 17832 540 1 2 . 1 1 30 30 SER CB C 27 61.593 61.593 63.278 -1.685 17832 541 1 2 . 1 1 30 30 SER H H 27 8.642 8.642 7.778 0.864 17832 542 1 2 . 1 1 31 31 LEU N N 28 126.322 126.322 119.345 6.977 17832 543 1 2 . 1 1 31 31 LEU HA H 28 4.281 4.281 4.143 0.138 17832 544 1 2 . 1 1 31 31 LEU C C 28 175.385 175.385 178.154 -2.769 17832 545 1 2 . 1 1 31 31 LEU CA C 28 56.992 56.992 58.146 -1.154 17832 546 1 2 . 1 1 31 31 LEU CB C 28 38.241 38.241 41.168 -2.927 17832 547 1 2 . 1 1 31 31 LEU H H 28 7.634 7.634 7.619 0.015 17832 548 1 2 . 1 1 32 32 GLU N N 29 114.812 114.812 119.501 -4.689 17832 549 1 2 . 1 1 32 32 GLU HA H 29 4.230 4.230 4.144 0.086 17832 550 1 2 . 1 1 32 32 GLU C C 29 175.711 175.711 179.266 -3.555 17832 551 1 2 . 1 1 32 32 GLU CA C 29 56.205 56.205 59.615 -3.410 17832 552 1 2 . 1 1 32 32 GLU CB C 29 26.903 26.903 29.195 -2.292 17832 553 1 2 . 1 1 32 32 GLU H H 29 8.283 8.283 7.789 0.494 17832 554 1 2 . 1 1 33 33 ILE N N 30 121.972 121.972 119.264 2.708 17832 555 1 2 . 1 1 33 33 ILE HA H 30 3.773 3.773 3.634 0.139 17832 556 1 2 . 1 1 33 33 ILE C C 30 175.177 175.177 177.969 -2.792 17832 557 1 2 . 1 1 33 33 ILE CA C 30 62.116 62.116 64.701 -2.585 17832 558 1 2 . 1 1 33 33 ILE CB C 30 35.018 35.018 37.607 -2.589 17832 559 1 2 . 1 1 33 33 ILE H H 30 7.477 7.477 7.831 -0.354 17832 560 1 2 . 1 1 34 34 PHE N N 31 117.727 117.727 118.372 -0.645 17832 561 1 2 . 1 1 34 34 PHE HA H 31 4.208 4.208 4.171 0.037 17832 562 1 2 . 1 1 34 34 PHE C C 31 174.731 174.731 177.992 -3.261 17832 563 1 2 . 1 1 34 34 PHE CA C 31 61.035 61.035 61.915 -0.880 17832 564 1 2 . 1 1 34 34 PHE CB C 31 36.224 36.224 38.398 -2.174 17832 565 1 2 . 1 1 34 34 PHE H H 31 8.137 8.137 7.471 0.666 17832 566 1 2 . 1 1 35 35 GLU N N 32 118.271 118.271 119.558 -1.287 17832 567 1 2 . 1 1 35 35 GLU HA H 32 2.721 2.721 4.248 -1.527 17832 568 1 2 . 1 1 35 35 GLU C C 32 174.785 174.785 179.012 -4.227 17832 569 1 2 . 1 1 35 35 GLU CA C 32 57.304 57.304 60.612 -3.308 17832 570 1 2 . 1 1 35 35 GLU CB C 32 26.997 26.997 29.339 -2.342 17832 571 1 2 . 1 1 35 35 GLU H H 32 8.249 8.249 8.137 0.112 17832 572 1 2 . 1 1 36 36 GLU N N 33 119.678 119.678 118.428 1.250 17832 573 1 2 . 1 1 36 36 GLU HA H 33 3.887 3.887 4.151 -0.264 17832 574 1 2 . 1 1 36 36 GLU C C 33 176.760 176.760 179.318 -2.558 17832 575 1 2 . 1 1 36 36 GLU CA C 33 57.241 57.241 59.300 -2.059 17832 576 1 2 . 1 1 36 36 GLU CB C 33 26.806 26.806 29.188 -2.382 17832 577 1 2 . 1 1 36 36 GLU H H 33 7.971 7.971 7.709 0.262 17832 578 1 2 . 1 1 37 37 LEU N N 34 120.144 120.144 118.003 2.141 17832 579 1 2 . 1 1 37 37 LEU HA H 34 4.280 4.280 4.279 0.001 17832 580 1 2 . 1 1 37 37 LEU C C 34 174.327 174.327 179.268 -4.941 17832 581 1 2 . 1 1 37 37 LEU CA C 34 55.502 55.502 57.789 -2.287 17832 582 1 2 . 1 1 37 37 LEU CB C 34 39.354 39.354 40.860 -1.506 17832 583 1 2 . 1 1 37 37 LEU H H 34 8.278 8.278 7.458 0.820 17832 584 1 2 . 1 1 38 38 TYR N N 35 119.703 119.703 121.878 -2.175 17832 585 1 2 . 1 1 38 38 TYR HA H 35 4.070 4.070 4.266 -0.196 17832 586 1 2 . 1 1 38 38 TYR C C 35 173.298 173.298 177.477 -4.179 17832 587 1 2 . 1 1 38 38 TYR CA C 35 59.098 59.098 60.538 -1.440 17832 588 1 2 . 1 1 38 38 TYR CB C 35 36.534 36.534 38.321 -1.787 17832 589 1 2 . 1 1 38 38 TYR H H 35 8.417 8.417 8.750 -0.333 17832 590 1 2 . 1 1 39 39 LYS N N 36 115.392 115.392 119.040 -3.648 17832 591 1 2 . 1 1 39 39 LYS HA H 36 3.621 3.621 3.710 -0.089 17832 592 1 2 . 1 1 39 39 LYS C C 36 176.456 176.456 178.423 -1.967 17832 593 1 2 . 1 1 39 39 LYS CA C 36 57.011 57.011 57.972 -0.961 17832 594 1 2 . 1 1 39 39 LYS CB C 36 29.694 29.694 32.308 -2.614 17832 595 1 2 . 1 1 39 39 LYS H H 36 8.441 8.441 8.069 0.372 17832 596 1 2 . 1 1 40 40 TYR N N 37 120.325 120.325 120.439 -0.114 17832 597 1 2 . 1 1 40 40 TYR HA H 37 4.078 4.078 4.065 0.013 17832 598 1 2 . 1 1 40 40 TYR C C 37 175.043 175.043 177.095 -2.052 17832 599 1 2 . 1 1 40 40 TYR CA C 37 58.971 58.971 61.669 -2.697 17832 600 1 2 . 1 1 40 40 TYR CB C 37 35.875 35.875 38.453 -2.579 17832 601 1 2 . 1 1 40 40 TYR H H 37 8.344 8.344 8.386 -0.042 17832 602 1 2 . 1 1 41 41 ALA N N 38 121.802 121.802 120.309 1.493 17832 603 1 2 . 1 1 41 41 ALA HA H 38 3.746 3.746 4.162 -0.416 17832 604 1 2 . 1 1 41 41 ALA C C 38 175.962 175.962 179.214 -3.252 17832 605 1 2 . 1 1 41 41 ALA CA C 38 51.780 51.780 54.766 -2.986 17832 606 1 2 . 1 1 41 41 ALA CB C 38 17.381 17.381 18.134 -0.753 17832 607 1 2 . 1 1 41 41 ALA H H 38 8.291 8.291 7.963 0.328 17832 608 1 2 . 1 1 42 42 LEU N N 39 116.563 116.563 117.248 -0.685 17832 609 1 2 . 1 1 42 42 LEU HA H 39 3.820 3.820 4.412 -0.592 17832 610 1 2 . 1 1 42 42 LEU C C 39 176.020 176.020 179.572 -3.552 17832 611 1 2 . 1 1 42 42 LEU CA C 39 54.011 54.011 56.602 -2.591 17832 612 1 2 . 1 1 42 42 LEU CB C 39 39.796 39.796 41.992 -2.196 17832 613 1 2 . 1 1 42 42 LEU H H 39 7.865 7.865 7.582 0.283 17832 614 1 2 . 1 1 43 43 ASN N N 40 115.561 115.561 118.760 -3.199 17832 615 1 2 . 1 1 43 43 ASN HA H 40 4.436 4.436 4.436 -0.000 17832 616 1 2 . 1 1 43 43 ASN C C 40 173.390 173.390 177.702 -4.312 17832 617 1 2 . 1 1 43 43 ASN CA C 40 51.492 51.492 56.045 -4.553 17832 618 1 2 . 1 1 43 43 ASN CB C 40 36.401 36.401 37.940 -1.539 17832 619 1 2 . 1 1 43 43 ASN H H 40 7.467 7.467 7.961 -0.494 17832 620 1 2 . 1 1 44 44 GLU N N 41 120.609 120.609 118.522 2.087 17832 621 1 2 . 1 1 44 44 GLU HA H 41 3.986 3.986 4.012 -0.026 17832 622 1 2 . 1 1 44 44 GLU C C 41 174.161 174.161 177.544 -3.383 17832 623 1 2 . 1 1 44 44 GLU CA C 41 54.775 54.775 58.417 -3.642 17832 624 1 2 . 1 1 44 44 GLU CB C 41 27.094 27.094 28.790 -1.696 17832 625 1 2 . 1 1 44 44 GLU H H 41 7.817 7.817 7.718 0.099 17832 626 1 2 . 1 1 45 45 ASN N N 42 118.453 118.453 116.173 2.280 17832 627 1 2 . 1 1 45 45 ASN HA H 42 4.618 4.618 4.517 0.101 17832 628 1 2 . 1 1 45 45 ASN C C 42 172.912 172.912 175.091 -2.179 17832 629 1 2 . 1 1 45 45 ASN CA C 42 50.988 50.988 55.295 -4.307 17832 630 1 2 . 1 1 45 45 ASN CB C 42 36.267 36.267 38.833 -2.566 17832 631 1 2 . 1 1 45 45 ASN H H 42 8.087 8.087 7.740 0.347 17832 632 1 2 . 1 1 46 46 SER N N 43 115.581 115.581 113.064 2.517 17832 633 1 2 . 1 1 46 46 SER HA H 43 4.292 4.292 4.572 -0.280 17832 634 1 2 . 1 1 46 46 SER C C 43 172.136 172.136 172.917 -0.781 17832 635 1 2 . 1 1 46 46 SER CA C 43 56.202 56.202 57.676 -1.474 17832 636 1 2 . 1 1 46 46 SER CB C 43 60.909 60.909 64.807 -3.898 17832 637 1 2 . 1 1 46 46 SER H H 43 8.062 8.062 7.719 0.343 17832 638 1 2 . 1 1 47 47 ASN N N 44 120.517 120.517 121.635 -1.118 17832 639 1 2 . 1 1 47 47 ASN HA H 44 4.617 4.617 4.879 -0.262 17832 640 1 2 . 1 1 47 47 ASN C C 44 172.545 172.545 173.934 -1.389 17832 641 1 2 . 1 1 47 47 ASN CA C 44 51.174 51.174 52.593 -1.419 17832 642 1 2 . 1 1 47 47 ASN CB C 44 36.208 36.208 39.492 -3.284 17832 643 1 2 . 1 1 47 47 ASN H H 44 8.329 8.329 8.626 -0.297 17832 644 1 2 . 1 1 48 48 ASP N N 45 120.294 120.294 120.971 -0.677 17832 645 1 2 . 1 1 48 48 ASP HA H 45 4.500 4.500 4.888 -0.388 17832 646 1 2 . 1 1 48 48 ASP C C 45 173.835 173.835 176.170 -2.335 17832 647 1 2 . 1 1 48 48 ASP CA C 45 52.030 52.030 54.452 -2.421 17832 648 1 2 . 1 1 48 48 ASP CB C 45 38.326 38.326 42.512 -4.186 17832 649 1 2 . 1 1 48 48 ASP H H 45 8.220 8.220 7.642 0.578 17832 650 1 2 . 1 1 49 49 ARG N N 46 121.139 121.139 122.705 -1.566 17832 651 1 2 . 1 1 49 49 ARG HA H 46 4.274 4.274 4.370 -0.096 17832 652 1 2 . 1 1 49 49 ARG C C 46 174.032 174.032 176.631 -2.599 17832 653 1 2 . 1 1 49 49 ARG CA C 46 53.425 53.425 56.859 -3.434 17832 654 1 2 . 1 1 49 49 ARG CB C 46 27.615 27.615 31.006 -3.391 17832 655 1 2 . 1 1 49 49 ARG H H 46 8.180 8.180 8.544 -0.364 17832 656 1 2 . 1 1 50 50 SER N N 47 116.289 116.289 113.563 2.726 17832 657 1 2 . 1 1 50 50 SER HA H 47 4.269 4.269 4.600 -0.331 17832 658 1 2 . 1 1 50 50 SER C C 47 172.337 172.337 173.703 -1.366 17832 659 1 2 . 1 1 50 50 SER CA C 47 56.379 56.379 57.846 -1.467 17832 660 1 2 . 1 1 50 50 SER CB C 47 60.970 60.970 62.939 -1.969 17832 661 1 2 . 1 1 50 50 SER H H 47 8.236 8.236 8.149 0.087 17832 662 1 2 . 1 1 51 51 GLU N N 48 122.019 122.019 124.380 -2.361 17832 663 1 2 . 1 1 51 51 GLU HA H 48 4.134 4.134 4.388 -0.254 17832 664 1 2 . 1 1 51 51 GLU C C 48 174.002 174.002 175.290 -1.288 17832 665 1 2 . 1 1 51 51 GLU CA C 48 54.285 54.285 56.553 -2.268 17832 666 1 2 . 1 1 51 51 GLU CB C 48 27.192 27.192 30.923 -3.731 17832 667 1 2 . 1 1 51 51 GLU H H 48 8.423 8.423 8.720 -0.297 17832 668 1 2 . 1 1 52 52 HIS N N 49 119.075 119.075 117.551 1.524 17832 669 1 2 . 1 1 52 52 HIS HA H 49 4.486 4.486 4.897 -0.411 17832 670 1 2 . 1 1 52 52 HIS C C 49 172.663 172.663 174.056 -1.393 17832 671 1 2 . 1 1 52 52 HIS CA C 49 53.775 53.775 55.607 -1.832 17832 672 1 2 . 1 1 52 52 HIS CB C 49 27.714 27.714 29.714 -2.000 17832 673 1 2 . 1 1 52 52 HIS H H 49 8.117 8.117 7.675 0.442 17832 674 1 2 . 1 1 53 53 HIS N N 50 119.483 119.483 122.705 -3.222 17832 675 1 2 . 1 1 53 53 HIS HA H 50 4.538 4.538 4.783 -0.245 17832 676 1 2 . 1 1 53 53 HIS C C 50 172.355 172.355 174.365 -2.010 17832 677 1 2 . 1 1 53 53 HIS CA C 50 53.433 53.433 56.758 -3.325 17832 678 1 2 . 1 1 53 53 HIS CB C 50 27.694 27.694 30.931 -3.237 17832 679 1 2 . 1 1 53 53 HIS H H 50 8.068 8.068 8.620 -0.552 17832 680 1 2 . 1 1 54 54 LYS N N 51 122.136 122.136 125.525 -3.389 17832 681 1 2 . 1 1 54 54 LYS HA H 51 4.215 4.215 4.384 -0.169 17832 682 1 2 . 1 1 54 54 LYS C C 51 173.474 173.474 174.953 -1.479 17832 683 1 2 . 1 1 54 54 LYS CA C 51 53.445 53.445 56.385 -2.940 17832 684 1 2 . 1 1 54 54 LYS CB C 51 30.329 30.329 33.332 -3.003 17832 685 1 2 . 1 1 54 54 LYS H H 51 8.121 8.121 8.599 -0.478 17832 686 1 2 . 1 1 55 55 LYS N N 52 124.022 124.022 119.704 4.318 17832 687 1 2 . 1 1 55 55 LYS HA H 52 4.508 4.508 4.536 -0.028 17832 688 1 2 . 1 1 55 55 LYS C C 52 171.685 171.685 173.499 -1.814 17832 689 1 2 . 1 1 55 55 LYS CA C 52 51.516 51.516 54.218 -2.703 17832 690 1 2 . 1 1 55 55 LYS CB C 52 29.818 29.818 35.169 -5.351 17832 691 1 2 . 1 1 55 55 LYS H H 52 8.262 8.262 7.221 1.041 17832 692 1 2 . 1 1 56 56 PRO HA H 53 4.340 4.340 4.442 -0.102 17832 693 1 2 . 1 1 56 56 PRO C C 53 173.830 173.830 176.565 -2.735 17832 694 1 2 . 1 1 56 56 PRO CA C 53 60.496 60.496 62.921 -2.425 17832 695 1 2 . 1 1 56 56 PRO CB C 53 29.444 29.444 32.196 -2.752 17832 696 1 2 . 1 1 57 57 ARG N N 54 121.870 121.870 123.033 -1.163 17832 697 1 2 . 1 1 57 57 ARG HA H 54 4.279 4.279 4.602 -0.323 17832 698 1 2 . 1 1 57 57 ARG C C 54 173.560 173.560 175.675 -2.115 17832 699 1 2 . 1 1 57 57 ARG CA C 54 53.172 53.172 55.433 -2.261 17832 700 1 2 . 1 1 57 57 ARG CB C 54 28.273 28.273 31.824 -3.551 17832 701 1 2 . 1 1 57 57 ARG H H 54 8.396 8.396 8.456 -0.060 17832 702 1 2 . 1 1 58 58 ILE N N 55 122.683 122.683 122.883 -0.200 17832 703 1 2 . 1 1 58 58 ILE HA H 55 4.117 4.117 4.147 -0.030 17832 704 1 2 . 1 1 58 58 ILE C C 55 173.034 173.034 175.958 -2.924 17832 705 1 2 . 1 1 58 58 ILE CA C 55 58.378 58.378 62.300 -3.922 17832 706 1 2 . 1 1 58 58 ILE CB C 55 36.113 36.113 38.499 -2.386 17832 707 1 2 . 1 1 58 58 ILE H H 55 8.258 8.258 8.492 -0.234 17832 708 1 2 . 1 1 59 59 ASP N N 56 123.975 123.975 125.701 -1.726 17832 709 1 2 . 1 1 59 59 ASP HA H 56 4.581 4.581 4.578 0.003 17832 710 1 2 . 1 1 59 59 ASP C C 56 172.780 172.780 176.086 -3.306 17832 711 1 2 . 1 1 59 59 ASP CA C 56 51.525 51.525 54.010 -2.485 17832 712 1 2 . 1 1 59 59 ASP CB C 56 38.460 38.460 41.478 -3.018 17832 713 1 2 . 1 1 59 59 ASP H H 56 8.364 8.364 8.854 -0.490 17832 714 1 2 . 1 1 60 60 ASP N N 57 121.471 121.471 118.402 3.069 17832 715 1 2 . 1 1 60 60 ASP HA H 57 4.563 4.563 4.480 0.083 17832 716 1 2 . 1 1 60 60 ASP C C 57 173.851 173.851 175.467 -1.616 17832 717 1 2 . 1 1 60 60 ASP CA C 57 51.586 51.586 55.006 -3.420 17832 718 1 2 . 1 1 60 60 ASP CB C 57 38.468 38.468 41.186 -2.718 17832 719 1 2 . 1 1 60 60 ASP H H 57 8.393 8.393 8.239 0.154 17832 720 1 2 . 1 1 61 61 SER N N 58 116.207 116.207 118.835 -2.628 17832 721 1 2 . 1 1 61 61 SER C C 58 172.389 172.389 174.521 -2.132 17832 722 1 2 . 1 1 61 61 SER CA C 58 56.129 56.129 59.318 -3.189 17832 723 1 2 . 1 1 61 61 SER CB C 58 60.945 60.945 63.885 -2.940 17832 724 1 2 . 1 1 61 61 SER H H 58 8.331 8.331 8.789 -0.458 17832 725 1 2 . 1 1 62 62 SER N N 59 117.805 117.805 113.696 4.109 17832 726 1 2 . 1 1 62 62 SER C C 59 171.778 171.778 173.827 -2.049 17832 727 1 2 . 1 1 62 62 SER CA C 59 56.290 56.290 59.548 -3.258 17832 728 1 2 . 1 1 62 62 SER CB C 59 60.930 60.930 64.351 -3.421 17832 729 1 2 . 1 1 62 62 SER H H 59 8.334 8.334 8.306 0.028 17832 730 1 2 . 1 1 63 63 ASP N N 60 122.124 122.124 119.105 3.019 17832 731 1 2 . 1 1 63 63 ASP HA H 60 4.512 4.512 4.676 -0.164 17832 732 1 2 . 1 1 63 63 ASP C C 60 173.550 173.550 175.057 -1.507 17832 733 1 2 . 1 1 63 63 ASP CA C 60 51.916 51.916 55.303 -3.386 17832 734 1 2 . 1 1 63 63 ASP CB C 60 38.264 38.264 41.582 -3.318 17832 735 1 2 . 1 1 63 63 ASP H H 60 8.278 8.278 8.159 0.118 17832 736 1 2 . 1 1 64 64 LEU N N 61 121.450 121.450 121.062 0.388 17832 737 1 2 . 1 1 64 64 LEU HA H 61 4.223 4.223 4.416 -0.193 17832 738 1 2 . 1 1 64 64 LEU C C 61 174.603 174.603 174.841 -0.238 17832 739 1 2 . 1 1 64 64 LEU CA C 61 52.640 52.640 56.414 -3.774 17832 740 1 2 . 1 1 64 64 LEU CB C 61 39.502 39.502 42.270 -2.768 17832 741 1 2 . 1 1 64 64 LEU H H 61 7.931 7.931 7.828 0.103 17832 742 1 2 . 1 1 65 65 LEU N N 62 122.042 122.042 120.781 1.261 17832 743 1 2 . 1 1 65 65 LEU HA H 62 4.273 4.273 4.649 -0.376 17832 744 1 2 . 1 1 65 65 LEU C C 62 174.372 174.372 176.043 -1.671 17832 745 1 2 . 1 1 65 65 LEU CA C 62 52.339 52.339 54.108 -1.769 17832 746 1 2 . 1 1 65 65 LEU CB C 62 39.426 39.426 44.385 -4.959 17832 747 1 2 . 1 1 65 65 LEU H H 62 8.023 8.023 7.823 0.200 17832 748 1 2 . 1 1 66 66 LYS N N 63 122.782 122.782 120.879 1.903 17832 749 1 2 . 1 1 66 66 LYS HA H 63 4.349 4.349 4.590 -0.241 17832 750 1 2 . 1 1 66 66 LYS C C 63 173.936 173.936 175.394 -1.458 17832 751 1 2 . 1 1 66 66 LYS CA C 63 53.305 53.305 55.723 -2.418 17832 752 1 2 . 1 1 66 66 LYS CB C 63 30.305 30.305 34.016 -3.711 17832 753 1 2 . 1 1 66 66 LYS H H 63 8.145 8.145 8.336 -0.191 17832 754 1 2 . 1 1 67 67 THR N N 64 115.478 115.478 113.916 1.562 17832 755 1 2 . 1 1 67 67 THR HA H 64 4.298 4.298 4.393 -0.095 17832 756 1 2 . 1 1 67 67 THR C C 64 171.473 171.473 173.790 -2.317 17832 757 1 2 . 1 1 67 67 THR CA C 64 58.943 58.943 62.407 -3.464 17832 758 1 2 . 1 1 67 67 THR CB C 64 67.038 67.038 69.441 -2.403 17832 759 1 2 . 1 1 67 67 THR H H 64 8.196 8.196 8.458 -0.262 17832 760 1 2 . 1 1 68 68 ASP N N 65 122.013 122.013 123.859 -1.846 17832 761 1 2 . 1 1 68 68 ASP C C 65 173.191 173.191 175.509 -2.318 17832 762 1 2 . 1 1 68 68 ASP CA C 65 51.628 51.628 53.074 -1.446 17832 763 1 2 . 1 1 68 68 ASP CB C 65 38.495 38.495 41.649 -3.154 17832 764 1 2 . 1 1 68 68 ASP H H 65 8.307 8.307 8.096 0.211 17832 765 1 2 . 1 1 69 69 GLU N N 66 121.260 121.260 118.196 3.064 17832 766 1 2 . 1 1 69 69 GLU HA H 66 4.235 4.235 4.616 -0.381 17832 767 1 2 . 1 1 69 69 GLU C C 66 172.706 172.706 177.053 -4.347 17832 768 1 2 . 1 1 69 69 GLU CA C 66 53.881 53.881 55.518 -1.637 17832 769 1 2 . 1 1 69 69 GLU CB C 66 27.731 27.731 31.538 -3.807 17832 770 1 2 . 1 1 69 69 GLU H H 66 8.216 8.216 8.412 -0.196 17832 771 1 3 . 1 1 3 3 MET C C 0 173.346 173.346 175.495 -2.149 17832 772 1 3 . 1 1 3 3 MET CA C 0 52.930 52.930 55.027 -2.097 17832 773 1 3 . 1 1 3 3 MET CB C 0 29.966 29.966 33.146 -3.180 17832 774 1 3 . 1 1 4 4 MET N N 1 121.822 121.822 121.129 0.693 17832 775 1 3 . 1 1 4 4 MET HA H 1 4.378 4.378 4.850 -0.472 17832 776 1 3 . 1 1 4 4 MET C C 1 173.585 173.585 176.171 -2.586 17832 777 1 3 . 1 1 4 4 MET CA C 1 52.943 52.943 55.188 -2.245 17832 778 1 3 . 1 1 4 4 MET CB C 1 30.112 30.112 34.581 -4.469 17832 779 1 3 . 1 1 4 4 MET H H 1 8.553 8.553 8.108 0.445 17832 780 1 3 . 1 1 5 5 SER N N 2 117.291 117.291 117.750 -0.459 17832 781 1 3 . 1 1 5 5 SER HA H 2 4.402 4.402 4.727 -0.325 17832 782 1 3 . 1 1 5 5 SER C C 2 171.427 171.427 173.824 -2.397 17832 783 1 3 . 1 1 5 5 SER CA C 2 55.920 55.920 58.510 -2.590 17832 784 1 3 . 1 1 5 5 SER CB C 2 61.033 61.033 63.936 -2.903 17832 785 1 3 . 1 1 5 5 SER H H 2 8.337 8.337 8.478 -0.141 17832 786 1 3 . 1 1 6 6 LYS N N 3 121.932 121.932 121.016 0.916 17832 787 1 3 . 1 1 6 6 LYS HA H 3 4.282 4.282 4.599 -0.317 17832 788 1 3 . 1 1 6 6 LYS C C 3 173.822 173.822 175.286 -1.464 17832 789 1 3 . 1 1 6 6 LYS CA C 3 53.556 53.556 56.124 -2.568 17832 790 1 3 . 1 1 6 6 LYS CB C 3 30.569 30.569 32.783 -2.214 17832 791 1 3 . 1 1 6 6 LYS H H 3 8.216 8.216 8.405 -0.189 17832 792 1 3 . 1 1 7 7 LEU N N 4 123.131 123.131 123.498 -0.367 17832 793 1 3 . 1 1 7 7 LEU HA H 4 4.310 4.310 4.274 0.036 17832 794 1 3 . 1 1 7 7 LEU C C 4 176.226 176.226 175.201 1.025 17832 795 1 3 . 1 1 7 7 LEU CA C 4 52.753 52.753 55.200 -2.447 17832 796 1 3 . 1 1 7 7 LEU CB C 4 39.626 39.626 41.392 -1.766 17832 797 1 3 . 1 1 7 7 LEU H H 4 8.301 8.301 8.061 0.240 17832 798 1 3 . 1 1 8 8 PHE N N 5 122.547 122.547 123.237 -0.690 17832 799 1 3 . 1 1 8 8 PHE HA H 5 4.313 4.313 4.750 -0.437 17832 800 1 3 . 1 1 8 8 PHE CA C 5 56.963 56.963 59.023 -2.061 17832 801 1 3 . 1 1 8 8 PHE CB C 5 35.205 35.205 40.536 -5.331 17832 802 1 3 . 1 1 8 8 PHE H H 5 8.764 8.764 8.093 0.671 17832 803 1 3 . 1 1 9 9 LEU HA H 6 3.079 3.079 3.937 -0.858 17832 804 1 3 . 1 1 9 9 LEU C C 6 175.830 175.830 177.634 -1.804 17832 805 1 3 . 1 1 9 9 LEU CA C 6 54.075 54.075 56.436 -2.361 17832 806 1 3 . 1 1 9 9 LEU CB C 6 38.429 38.429 42.053 -3.624 17832 807 1 3 . 1 1 10 10 ASP N N 7 116.164 116.164 117.599 -1.435 17832 808 1 3 . 1 1 10 10 ASP HA H 7 4.294 4.294 4.392 -0.098 17832 809 1 3 . 1 1 10 10 ASP C C 7 174.240 174.240 177.254 -3.014 17832 810 1 3 . 1 1 10 10 ASP CA C 7 53.201 53.201 56.677 -3.476 17832 811 1 3 . 1 1 10 10 ASP CB C 7 37.826 37.826 40.931 -3.105 17832 812 1 3 . 1 1 10 10 ASP H H 7 7.488 7.488 8.108 -0.620 17832 813 1 3 . 1 1 11 11 GLU N N 8 116.711 116.711 116.916 -0.205 17832 814 1 3 . 1 1 11 11 GLU HA H 8 4.296 4.296 4.229 0.067 17832 815 1 3 . 1 1 11 11 GLU C C 8 173.322 173.322 176.693 -3.371 17832 816 1 3 . 1 1 11 11 GLU CA C 8 53.231 53.231 57.127 -3.896 17832 817 1 3 . 1 1 11 11 GLU CB C 8 27.333 27.333 30.233 -2.900 17832 818 1 3 . 1 1 11 11 GLU H H 8 7.496 7.496 8.384 -0.888 17832 819 1 3 . 1 1 12 12 LEU N N 9 117.751 117.751 120.660 -2.909 17832 820 1 3 . 1 1 12 12 LEU HA H 9 4.313 4.313 4.265 0.048 17832 821 1 3 . 1 1 12 12 LEU C C 9 171.541 171.541 174.944 -3.403 17832 822 1 3 . 1 1 12 12 LEU CA C 9 49.264 49.264 53.263 -3.999 17832 823 1 3 . 1 1 12 12 LEU CB C 9 38.581 38.581 41.578 -2.997 17832 824 1 3 . 1 1 12 12 LEU H H 9 6.803 6.803 7.116 -0.313 17832 825 1 3 . 1 1 13 13 PRO HA H 10 4.311 4.311 4.339 -0.028 17832 826 1 3 . 1 1 13 13 PRO C C 10 174.746 174.746 176.888 -2.142 17832 827 1 3 . 1 1 13 13 PRO CA C 10 60.083 60.083 62.794 -2.711 17832 828 1 3 . 1 1 13 13 PRO CB C 10 29.131 29.131 32.280 -3.149 17832 829 1 3 . 1 1 14 14 GLU N N 11 125.693 125.693 118.067 7.626 17832 830 1 3 . 1 1 14 14 GLU HA H 11 3.854 3.854 4.252 -0.398 17832 831 1 3 . 1 1 14 14 GLU C C 11 175.180 175.180 178.770 -3.590 17832 832 1 3 . 1 1 14 14 GLU CA C 11 57.035 57.035 58.218 -1.183 17832 833 1 3 . 1 1 14 14 GLU CB C 11 26.761 26.761 29.830 -3.069 17832 834 1 3 . 1 1 14 14 GLU H H 11 8.777 8.777 8.547 0.230 17832 835 1 3 . 1 1 15 15 SER N N 12 111.734 111.734 115.888 -4.154 17832 836 1 3 . 1 1 15 15 SER HA H 12 3.884 3.884 4.286 -0.402 17832 837 1 3 . 1 1 15 15 SER C C 12 173.687 173.687 176.315 -2.628 17832 838 1 3 . 1 1 15 15 SER CA C 12 58.230 58.230 60.505 -2.276 17832 839 1 3 . 1 1 15 15 SER CB C 12 58.977 58.977 63.069 -4.092 17832 840 1 3 . 1 1 15 15 SER H H 12 8.563 8.563 8.133 0.430 17832 841 1 3 . 1 1 16 16 LEU N N 13 122.925 122.925 120.315 2.610 17832 842 1 3 . 1 1 16 16 LEU HA H 13 4.081 4.081 4.143 -0.062 17832 843 1 3 . 1 1 16 16 LEU C C 13 175.385 175.385 178.355 -2.970 17832 844 1 3 . 1 1 16 16 LEU CA C 13 54.057 54.057 57.226 -3.169 17832 845 1 3 . 1 1 16 16 LEU CB C 13 39.498 39.498 41.805 -2.307 17832 846 1 3 . 1 1 16 16 LEU H H 13 6.828 6.828 7.941 -1.113 17832 847 1 3 . 1 1 17 17 SER N N 14 114.839 114.839 114.541 0.298 17832 848 1 3 . 1 1 17 17 SER HA H 14 3.585 3.585 4.056 -0.471 17832 849 1 3 . 1 1 17 17 SER C C 14 175.435 175.435 177.040 -1.605 17832 850 1 3 . 1 1 17 17 SER CA C 14 58.835 58.835 61.545 -2.710 17832 851 1 3 . 1 1 17 17 SER CB C 14 59.345 59.345 62.739 -3.394 17832 852 1 3 . 1 1 17 17 SER H H 14 8.266 8.266 7.939 0.328 17832 853 1 3 . 1 1 18 18 ARG N N 15 121.474 121.474 120.792 0.682 17832 854 1 3 . 1 1 18 18 ARG HA H 15 3.897 3.897 4.121 -0.224 17832 855 1 3 . 1 1 18 18 ARG C C 15 176.749 176.749 178.552 -1.803 17832 856 1 3 . 1 1 18 18 ARG CA C 15 56.827 56.827 58.761 -1.934 17832 857 1 3 . 1 1 18 18 ARG CB C 15 27.154 27.154 30.076 -2.922 17832 858 1 3 . 1 1 18 18 ARG H H 15 8.385 8.385 7.589 0.796 17832 859 1 3 . 1 1 19 19 LYS N N 16 119.494 119.494 120.109 -0.615 17832 860 1 3 . 1 1 19 19 LYS HA H 16 3.947 3.947 4.168 -0.221 17832 861 1 3 . 1 1 19 19 LYS C C 16 177.319 177.319 179.227 -1.908 17832 862 1 3 . 1 1 19 19 LYS CA C 16 57.412 57.412 59.253 -1.841 17832 863 1 3 . 1 1 19 19 LYS CB C 16 30.432 30.432 32.451 -2.019 17832 864 1 3 . 1 1 19 19 LYS H H 16 7.269 7.269 7.593 -0.324 17832 865 1 3 . 1 1 20 20 ILE N N 17 120.972 120.972 119.348 1.624 17832 866 1 3 . 1 1 20 20 ILE HA H 17 2.813 2.813 3.730 -0.917 17832 867 1 3 . 1 1 20 20 ILE C C 17 175.324 175.324 177.840 -2.516 17832 868 1 3 . 1 1 20 20 ILE CA C 17 63.012 63.012 64.812 -1.800 17832 869 1 3 . 1 1 20 20 ILE CB C 17 34.710 34.710 37.554 -2.844 17832 870 1 3 . 1 1 20 20 ILE H H 17 7.993 7.993 8.692 -0.699 17832 871 1 3 . 1 1 21 21 GLY N N 18 106.894 106.894 107.987 -1.093 17832 872 1 3 . 1 1 21 21 GLY C C 18 173.161 173.161 175.657 -2.496 17832 873 1 3 . 1 1 21 21 GLY CA C 18 44.450 44.450 47.883 -3.433 17832 874 1 3 . 1 1 21 21 GLY H H 18 8.259 8.259 7.947 0.312 17832 875 1 3 . 1 1 22 22 THR N N 19 113.696 113.696 115.634 -1.938 17832 876 1 3 . 1 1 22 22 THR HA H 19 3.946 3.946 4.090 -0.144 17832 877 1 3 . 1 1 22 22 THR C C 19 173.081 173.081 176.036 -2.955 17832 878 1 3 . 1 1 22 22 THR CA C 19 62.984 62.984 65.207 -2.223 17832 879 1 3 . 1 1 22 22 THR CB C 19 66.403 66.403 68.758 -2.355 17832 880 1 3 . 1 1 22 22 THR H H 19 7.502 7.502 7.686 -0.184 17832 881 1 3 . 1 1 23 23 VAL N N 20 123.120 123.120 119.882 3.238 17832 882 1 3 . 1 1 23 23 VAL HA H 20 3.649 3.649 3.857 -0.208 17832 883 1 3 . 1 1 23 23 VAL C C 20 174.858 174.858 178.112 -3.254 17832 884 1 3 . 1 1 23 23 VAL CA C 20 62.761 62.761 65.879 -3.118 17832 885 1 3 . 1 1 23 23 VAL CB C 20 29.222 29.222 31.980 -2.757 17832 886 1 3 . 1 1 23 23 VAL H H 20 7.168 7.168 7.292 -0.124 17832 887 1 3 . 1 1 24 24 VAL N N 21 119.729 119.729 120.305 -0.576 17832 888 1 3 . 1 1 24 24 VAL HA H 21 3.541 3.541 3.789 -0.248 17832 889 1 3 . 1 1 24 24 VAL C C 21 174.410 174.410 177.512 -3.102 17832 890 1 3 . 1 1 24 24 VAL CA C 21 61.966 61.966 64.707 -2.741 17832 891 1 3 . 1 1 24 24 VAL CB C 21 29.360 29.360 30.911 -1.551 17832 892 1 3 . 1 1 24 24 VAL H H 21 8.129 8.129 8.560 -0.431 17832 893 1 3 . 1 1 25 25 ARG N N 22 116.239 116.239 118.790 -2.551 17832 894 1 3 . 1 1 25 25 ARG HA H 22 3.952 3.952 4.059 -0.107 17832 895 1 3 . 1 1 25 25 ARG C C 22 174.899 174.899 178.180 -3.281 17832 896 1 3 . 1 1 25 25 ARG CA C 22 56.097 56.097 58.969 -2.872 17832 897 1 3 . 1 1 25 25 ARG CB C 22 27.473 27.473 30.260 -2.787 17832 898 1 3 . 1 1 25 25 ARG H H 22 7.633 7.633 7.591 0.042 17832 899 1 3 . 1 1 26 26 VAL N N 23 115.006 115.006 117.167 -2.161 17832 900 1 3 . 1 1 26 26 VAL HA H 23 3.995 3.995 3.904 0.091 17832 901 1 3 . 1 1 26 26 VAL C C 23 173.187 173.187 176.495 -3.308 17832 902 1 3 . 1 1 26 26 VAL CA C 23 61.107 61.107 64.760 -3.652 17832 903 1 3 . 1 1 26 26 VAL CB C 23 29.977 29.977 32.760 -2.783 17832 904 1 3 . 1 1 26 26 VAL H H 23 6.886 6.886 7.619 -0.733 17832 905 1 3 . 1 1 27 27 LEU N N 24 120.940 120.940 119.524 1.416 17832 906 1 3 . 1 1 27 27 LEU HA H 24 4.930 4.930 4.852 0.078 17832 907 1 3 . 1 1 27 27 LEU C C 24 171.363 171.363 174.866 -3.503 17832 908 1 3 . 1 1 27 27 LEU CA C 24 48.752 48.752 51.966 -3.214 17832 909 1 3 . 1 1 27 27 LEU CB C 24 40.669 40.669 42.712 -2.042 17832 910 1 3 . 1 1 27 27 LEU H H 24 8.338 8.338 7.335 1.003 17832 911 1 3 . 1 1 28 28 PRO HA H 25 4.767 4.767 4.496 0.271 17832 912 1 3 . 1 1 28 28 PRO C C 25 176.742 176.742 176.797 -0.055 17832 913 1 3 . 1 1 28 28 PRO CA C 25 63.453 63.453 64.440 -0.987 17832 914 1 3 . 1 1 28 28 PRO CB C 25 29.004 29.004 31.920 -2.916 17832 915 1 3 . 1 1 29 29 SER N N 26 111.726 111.726 111.621 0.105 17832 916 1 3 . 1 1 29 29 SER HA H 26 4.422 4.422 4.337 0.085 17832 917 1 3 . 1 1 29 29 SER C C 26 172.811 172.811 176.413 -3.602 17832 918 1 3 . 1 1 29 29 SER CA C 26 57.331 57.331 59.003 -1.672 17832 919 1 3 . 1 1 29 29 SER CB C 26 59.552 59.552 63.658 -4.106 17832 920 1 3 . 1 1 29 29 SER H H 26 8.279 8.279 8.049 0.230 17832 921 1 3 . 1 1 30 30 SER N N 27 116.503 116.503 119.721 -3.218 17832 922 1 3 . 1 1 30 30 SER HA H 27 4.103 4.103 4.208 -0.105 17832 923 1 3 . 1 1 30 30 SER C C 27 174.324 174.324 176.220 -1.896 17832 924 1 3 . 1 1 30 30 SER CA C 27 58.661 58.661 60.617 -1.956 17832 925 1 3 . 1 1 30 30 SER CB C 27 61.593 61.593 62.961 -1.368 17832 926 1 3 . 1 1 30 30 SER H H 27 8.642 8.642 7.979 0.663 17832 927 1 3 . 1 1 31 31 LEU N N 28 126.322 126.322 119.326 6.996 17832 928 1 3 . 1 1 31 31 LEU HA H 28 4.281 4.281 4.283 -0.002 17832 929 1 3 . 1 1 31 31 LEU C C 28 175.385 175.385 177.985 -2.600 17832 930 1 3 . 1 1 31 31 LEU CA C 28 56.992 56.992 57.880 -0.888 17832 931 1 3 . 1 1 31 31 LEU CB C 28 38.241 38.241 41.238 -2.997 17832 932 1 3 . 1 1 31 31 LEU H H 28 7.634 7.634 7.509 0.125 17832 933 1 3 . 1 1 32 32 GLU N N 29 114.812 114.812 119.488 -4.676 17832 934 1 3 . 1 1 32 32 GLU HA H 29 4.230 4.230 3.877 0.353 17832 935 1 3 . 1 1 32 32 GLU C C 29 175.711 175.711 178.572 -2.861 17832 936 1 3 . 1 1 32 32 GLU CA C 29 56.205 56.205 59.688 -3.483 17832 937 1 3 . 1 1 32 32 GLU CB C 29 26.903 26.903 29.438 -2.535 17832 938 1 3 . 1 1 32 32 GLU H H 29 8.283 8.283 7.704 0.579 17832 939 1 3 . 1 1 33 33 ILE N N 30 121.972 121.972 118.853 3.119 17832 940 1 3 . 1 1 33 33 ILE HA H 30 3.773 3.773 3.661 0.112 17832 941 1 3 . 1 1 33 33 ILE C C 30 175.177 175.177 177.628 -2.451 17832 942 1 3 . 1 1 33 33 ILE CA C 30 62.116 62.116 64.691 -2.575 17832 943 1 3 . 1 1 33 33 ILE CB C 30 35.018 35.018 37.738 -2.720 17832 944 1 3 . 1 1 33 33 ILE H H 30 7.477 7.477 7.342 0.135 17832 945 1 3 . 1 1 34 34 PHE N N 31 117.727 117.727 119.095 -1.368 17832 946 1 3 . 1 1 34 34 PHE HA H 31 4.208 4.208 4.269 -0.061 17832 947 1 3 . 1 1 34 34 PHE C C 31 174.731 174.731 177.876 -3.145 17832 948 1 3 . 1 1 34 34 PHE CA C 31 61.035 61.035 60.762 0.273 17832 949 1 3 . 1 1 34 34 PHE CB C 31 36.224 36.224 38.231 -2.007 17832 950 1 3 . 1 1 34 34 PHE H H 31 8.137 8.137 7.225 0.912 17832 951 1 3 . 1 1 35 35 GLU N N 32 118.271 118.271 120.021 -1.750 17832 952 1 3 . 1 1 35 35 GLU HA H 32 2.721 2.721 4.455 -1.734 17832 953 1 3 . 1 1 35 35 GLU C C 32 174.785 174.785 179.075 -4.290 17832 954 1 3 . 1 1 35 35 GLU CA C 32 57.304 57.304 60.355 -3.051 17832 955 1 3 . 1 1 35 35 GLU CB C 32 26.997 26.997 29.322 -2.325 17832 956 1 3 . 1 1 35 35 GLU H H 32 8.249 8.249 8.785 -0.536 17832 957 1 3 . 1 1 36 36 GLU N N 33 119.678 119.678 119.788 -0.110 17832 958 1 3 . 1 1 36 36 GLU HA H 33 3.887 3.887 4.062 -0.175 17832 959 1 3 . 1 1 36 36 GLU C C 33 176.760 176.760 178.800 -2.040 17832 960 1 3 . 1 1 36 36 GLU CA C 33 57.241 57.241 58.827 -1.586 17832 961 1 3 . 1 1 36 36 GLU CB C 33 26.806 26.806 29.644 -2.838 17832 962 1 3 . 1 1 36 36 GLU H H 33 7.971 7.971 7.661 0.310 17832 963 1 3 . 1 1 37 37 LEU N N 34 120.144 120.144 121.658 -1.514 17832 964 1 3 . 1 1 37 37 LEU HA H 34 4.280 4.280 4.378 -0.098 17832 965 1 3 . 1 1 37 37 LEU C C 34 174.327 174.327 178.433 -4.106 17832 966 1 3 . 1 1 37 37 LEU CA C 34 55.502 55.502 58.153 -2.651 17832 967 1 3 . 1 1 37 37 LEU CB C 34 39.354 39.354 42.333 -2.979 17832 968 1 3 . 1 1 37 37 LEU H H 34 8.278 8.278 7.880 0.398 17832 969 1 3 . 1 1 38 38 TYR N N 35 119.703 119.703 116.269 3.434 17832 970 1 3 . 1 1 38 38 TYR HA H 35 4.070 4.070 4.078 -0.008 17832 971 1 3 . 1 1 38 38 TYR C C 35 173.298 173.298 177.351 -4.053 17832 972 1 3 . 1 1 38 38 TYR CA C 35 59.098 59.098 59.996 -0.898 17832 973 1 3 . 1 1 38 38 TYR CB C 35 36.534 36.534 37.477 -0.944 17832 974 1 3 . 1 1 38 38 TYR H H 35 8.417 8.417 8.238 0.179 17832 975 1 3 . 1 1 39 39 LYS N N 36 115.392 115.392 120.443 -5.051 17832 976 1 3 . 1 1 39 39 LYS HA H 36 3.621 3.621 3.622 -0.001 17832 977 1 3 . 1 1 39 39 LYS C C 36 176.456 176.456 178.795 -2.339 17832 978 1 3 . 1 1 39 39 LYS CA C 36 57.011 57.011 59.152 -2.141 17832 979 1 3 . 1 1 39 39 LYS CB C 36 29.694 29.694 32.270 -2.576 17832 980 1 3 . 1 1 39 39 LYS H H 36 8.441 8.441 7.056 1.385 17832 981 1 3 . 1 1 40 40 TYR N N 37 120.325 120.325 117.309 3.016 17832 982 1 3 . 1 1 40 40 TYR HA H 37 4.078 4.078 4.212 -0.134 17832 983 1 3 . 1 1 40 40 TYR C C 37 175.043 175.043 177.047 -2.004 17832 984 1 3 . 1 1 40 40 TYR CA C 37 58.971 58.971 59.717 -0.746 17832 985 1 3 . 1 1 40 40 TYR CB C 37 35.875 35.875 37.729 -1.854 17832 986 1 3 . 1 1 40 40 TYR H H 37 8.344 8.344 8.114 0.230 17832 987 1 3 . 1 1 41 41 ALA N N 38 121.802 121.802 121.484 0.318 17832 988 1 3 . 1 1 41 41 ALA HA H 38 3.746 3.746 3.665 0.081 17832 989 1 3 . 1 1 41 41 ALA C C 38 175.962 175.962 179.141 -3.179 17832 990 1 3 . 1 1 41 41 ALA CA C 38 51.780 51.780 54.414 -2.634 17832 991 1 3 . 1 1 41 41 ALA CB C 38 17.381 17.381 17.613 -0.232 17832 992 1 3 . 1 1 41 41 ALA H H 38 8.291 8.291 7.273 1.018 17832 993 1 3 . 1 1 42 42 LEU N N 39 116.563 116.563 117.658 -1.095 17832 994 1 3 . 1 1 42 42 LEU HA H 39 3.820 3.820 3.949 -0.129 17832 995 1 3 . 1 1 42 42 LEU C C 39 176.020 176.020 178.673 -2.653 17832 996 1 3 . 1 1 42 42 LEU CA C 39 54.011 54.011 57.472 -3.461 17832 997 1 3 . 1 1 42 42 LEU CB C 39 39.796 39.796 41.678 -1.882 17832 998 1 3 . 1 1 42 42 LEU H H 39 7.865 7.865 7.352 0.513 17832 999 1 3 . 1 1 43 43 ASN N N 40 115.561 115.561 117.194 -1.633 17832 1000 1 3 . 1 1 43 43 ASN HA H 40 4.436 4.436 4.489 -0.053 17832 1001 1 3 . 1 1 43 43 ASN C C 40 173.390 173.390 177.085 -3.695 17832 1002 1 3 . 1 1 43 43 ASN CA C 40 51.492 51.492 55.857 -4.365 17832 1003 1 3 . 1 1 43 43 ASN CB C 40 36.401 36.401 38.083 -1.682 17832 1004 1 3 . 1 1 43 43 ASN H H 40 7.467 7.467 7.762 -0.295 17832 1005 1 3 . 1 1 44 44 GLU N N 41 120.609 120.609 117.430 3.179 17832 1006 1 3 . 1 1 44 44 GLU HA H 41 3.986 3.986 4.153 -0.167 17832 1007 1 3 . 1 1 44 44 GLU C C 41 174.161 174.161 177.345 -3.184 17832 1008 1 3 . 1 1 44 44 GLU CA C 41 54.775 54.775 58.441 -3.666 17832 1009 1 3 . 1 1 44 44 GLU CB C 41 27.094 27.094 29.064 -1.970 17832 1010 1 3 . 1 1 44 44 GLU H H 41 7.817 7.817 7.780 0.037 17832 1011 1 3 . 1 1 45 45 ASN N N 42 118.453 118.453 116.738 1.715 17832 1012 1 3 . 1 1 45 45 ASN HA H 42 4.618 4.618 4.630 -0.012 17832 1013 1 3 . 1 1 45 45 ASN C C 42 172.912 172.912 175.166 -2.254 17832 1014 1 3 . 1 1 45 45 ASN CA C 42 50.988 50.988 54.675 -3.687 17832 1015 1 3 . 1 1 45 45 ASN CB C 42 36.267 36.267 38.867 -2.600 17832 1016 1 3 . 1 1 45 45 ASN H H 42 8.087 8.087 7.817 0.270 17832 1017 1 3 . 1 1 46 46 SER N N 43 115.581 115.581 116.187 -0.606 17832 1018 1 3 . 1 1 46 46 SER HA H 43 4.292 4.292 4.541 -0.249 17832 1019 1 3 . 1 1 46 46 SER C C 43 172.136 172.136 172.890 -0.754 17832 1020 1 3 . 1 1 46 46 SER CA C 43 56.202 56.202 58.695 -2.493 17832 1021 1 3 . 1 1 46 46 SER CB C 43 60.909 60.909 63.468 -2.559 17832 1022 1 3 . 1 1 46 46 SER H H 43 8.062 8.062 7.404 0.658 17832 1023 1 3 . 1 1 47 47 ASN N N 44 120.517 120.517 123.709 -3.192 17832 1024 1 3 . 1 1 47 47 ASN HA H 44 4.617 4.617 4.862 -0.245 17832 1025 1 3 . 1 1 47 47 ASN C C 44 172.545 172.545 173.201 -0.656 17832 1026 1 3 . 1 1 47 47 ASN CA C 44 51.174 51.174 53.587 -2.413 17832 1027 1 3 . 1 1 47 47 ASN CB C 44 36.208 36.208 41.036 -4.828 17832 1028 1 3 . 1 1 47 47 ASN H H 44 8.329 8.329 8.417 -0.088 17832 1029 1 3 . 1 1 48 48 ASP N N 45 120.294 120.294 122.394 -2.100 17832 1030 1 3 . 1 1 48 48 ASP HA H 45 4.500 4.500 4.817 -0.317 17832 1031 1 3 . 1 1 48 48 ASP C C 45 173.835 173.835 176.198 -2.363 17832 1032 1 3 . 1 1 48 48 ASP CA C 45 52.030 52.030 53.822 -1.792 17832 1033 1 3 . 1 1 48 48 ASP CB C 45 38.326 38.326 41.713 -3.387 17832 1034 1 3 . 1 1 48 48 ASP H H 45 8.220 8.220 8.265 -0.045 17832 1035 1 3 . 1 1 49 49 ARG N N 46 121.139 121.139 120.662 0.477 17832 1036 1 3 . 1 1 49 49 ARG HA H 46 4.274 4.274 4.415 -0.141 17832 1037 1 3 . 1 1 49 49 ARG C C 46 174.032 174.032 176.257 -2.225 17832 1038 1 3 . 1 1 49 49 ARG CA C 46 53.425 53.425 56.557 -3.132 17832 1039 1 3 . 1 1 49 49 ARG CB C 46 27.615 27.615 30.917 -3.302 17832 1040 1 3 . 1 1 49 49 ARG H H 46 8.180 8.180 8.482 -0.302 17832 1041 1 3 . 1 1 50 50 SER N N 47 116.289 116.289 117.219 -0.930 17832 1042 1 3 . 1 1 50 50 SER HA H 47 4.269 4.269 4.575 -0.306 17832 1043 1 3 . 1 1 50 50 SER C C 47 172.337 172.337 173.954 -1.617 17832 1044 1 3 . 1 1 50 50 SER CA C 47 56.379 56.379 57.741 -1.362 17832 1045 1 3 . 1 1 50 50 SER CB C 47 60.970 60.970 64.097 -3.127 17832 1046 1 3 . 1 1 50 50 SER H H 47 8.236 8.236 8.486 -0.250 17832 1047 1 3 . 1 1 51 51 GLU N N 48 122.019 122.019 121.941 0.078 17832 1048 1 3 . 1 1 51 51 GLU HA H 48 4.134 4.134 4.434 -0.300 17832 1049 1 3 . 1 1 51 51 GLU C C 48 174.002 174.002 176.170 -2.168 17832 1050 1 3 . 1 1 51 51 GLU CA C 48 54.285 54.285 57.014 -2.729 17832 1051 1 3 . 1 1 51 51 GLU CB C 48 27.192 27.192 30.753 -3.561 17832 1052 1 3 . 1 1 51 51 GLU H H 48 8.423 8.423 8.791 -0.368 17832 1053 1 3 . 1 1 52 52 HIS N N 49 119.075 119.075 118.663 0.412 17832 1054 1 3 . 1 1 52 52 HIS HA H 49 4.486 4.486 4.912 -0.426 17832 1055 1 3 . 1 1 52 52 HIS C C 49 172.663 172.663 173.427 -0.764 17832 1056 1 3 . 1 1 52 52 HIS CA C 49 53.775 53.775 56.625 -2.850 17832 1057 1 3 . 1 1 52 52 HIS CB C 49 27.714 27.714 30.211 -2.497 17832 1058 1 3 . 1 1 52 52 HIS H H 49 8.117 8.117 8.372 -0.255 17832 1059 1 3 . 1 1 53 53 HIS N N 50 119.483 119.483 123.280 -3.797 17832 1060 1 3 . 1 1 53 53 HIS HA H 50 4.538 4.538 4.701 -0.163 17832 1061 1 3 . 1 1 53 53 HIS C C 50 172.355 172.355 174.115 -1.760 17832 1062 1 3 . 1 1 53 53 HIS CA C 50 53.433 53.433 56.040 -2.607 17832 1063 1 3 . 1 1 53 53 HIS CB C 50 27.694 27.694 29.877 -2.183 17832 1064 1 3 . 1 1 53 53 HIS H H 50 8.068 8.068 8.629 -0.561 17832 1065 1 3 . 1 1 54 54 LYS N N 51 122.136 122.136 122.126 0.010 17832 1066 1 3 . 1 1 54 54 LYS HA H 51 4.215 4.215 4.580 -0.365 17832 1067 1 3 . 1 1 54 54 LYS C C 51 173.474 173.474 175.445 -1.971 17832 1068 1 3 . 1 1 54 54 LYS CA C 51 53.445 53.445 56.256 -2.811 17832 1069 1 3 . 1 1 54 54 LYS CB C 51 30.329 30.329 33.266 -2.937 17832 1070 1 3 . 1 1 54 54 LYS H H 51 8.121 8.121 8.161 -0.040 17832 1071 1 3 . 1 1 55 55 LYS N N 52 124.022 124.022 124.337 -0.315 17832 1072 1 3 . 1 1 55 55 LYS HA H 52 4.508 4.508 4.800 -0.292 17832 1073 1 3 . 1 1 55 55 LYS C C 52 171.685 171.685 174.439 -2.754 17832 1074 1 3 . 1 1 55 55 LYS CA C 52 51.516 51.516 54.428 -2.912 17832 1075 1 3 . 1 1 55 55 LYS CB C 52 29.818 29.818 33.191 -3.373 17832 1076 1 3 . 1 1 55 55 LYS H H 52 8.262 8.262 8.556 -0.294 17832 1077 1 3 . 1 1 56 56 PRO HA H 53 4.340 4.340 4.663 -0.323 17832 1078 1 3 . 1 1 56 56 PRO C C 53 173.830 173.830 175.929 -2.099 17832 1079 1 3 . 1 1 56 56 PRO CA C 53 60.496 60.496 62.488 -1.992 17832 1080 1 3 . 1 1 56 56 PRO CB C 53 29.444 29.444 32.597 -3.153 17832 1081 1 3 . 1 1 57 57 ARG N N 54 121.870 121.870 120.882 0.988 17832 1082 1 3 . 1 1 57 57 ARG HA H 54 4.279 4.279 4.541 -0.262 17832 1083 1 3 . 1 1 57 57 ARG C C 54 173.560 173.560 175.388 -1.828 17832 1084 1 3 . 1 1 57 57 ARG CA C 54 53.172 53.172 55.433 -2.261 17832 1085 1 3 . 1 1 57 57 ARG CB C 54 28.273 28.273 30.942 -2.669 17832 1086 1 3 . 1 1 57 57 ARG H H 54 8.396 8.396 8.384 0.012 17832 1087 1 3 . 1 1 58 58 ILE N N 55 122.683 122.683 126.676 -3.993 17832 1088 1 3 . 1 1 58 58 ILE HA H 55 4.117 4.117 4.419 -0.302 17832 1089 1 3 . 1 1 58 58 ILE C C 55 173.034 173.034 175.251 -2.217 17832 1090 1 3 . 1 1 58 58 ILE CA C 55 58.378 58.378 60.316 -1.938 17832 1091 1 3 . 1 1 58 58 ILE CB C 55 36.113 36.113 36.926 -0.813 17832 1092 1 3 . 1 1 58 58 ILE H H 55 8.258 8.258 8.640 -0.382 17832 1093 1 3 . 1 1 59 59 ASP N N 56 123.975 123.975 125.322 -1.347 17832 1094 1 3 . 1 1 59 59 ASP HA H 56 4.581 4.581 4.610 -0.029 17832 1095 1 3 . 1 1 59 59 ASP C C 56 172.780 172.780 175.444 -2.664 17832 1096 1 3 . 1 1 59 59 ASP CA C 56 51.525 51.525 54.403 -2.878 17832 1097 1 3 . 1 1 59 59 ASP CB C 56 38.460 38.460 42.210 -3.750 17832 1098 1 3 . 1 1 59 59 ASP H H 56 8.364 8.364 8.879 -0.515 17832 1099 1 3 . 1 1 60 60 ASP N N 57 121.471 121.471 119.753 1.718 17832 1100 1 3 . 1 1 60 60 ASP HA H 57 4.563 4.563 4.927 -0.364 17832 1101 1 3 . 1 1 60 60 ASP C C 57 173.851 173.851 175.509 -1.658 17832 1102 1 3 . 1 1 60 60 ASP CA C 57 51.586 51.586 53.932 -2.346 17832 1103 1 3 . 1 1 60 60 ASP CB C 57 38.468 38.468 43.758 -5.290 17832 1104 1 3 . 1 1 60 60 ASP H H 57 8.393 8.393 8.277 0.116 17832 1105 1 3 . 1 1 61 61 SER N N 58 116.207 116.207 115.637 0.570 17832 1106 1 3 . 1 1 61 61 SER C C 58 172.389 172.389 173.677 -1.288 17832 1107 1 3 . 1 1 61 61 SER CA C 58 56.129 56.129 58.340 -2.211 17832 1108 1 3 . 1 1 61 61 SER CB C 58 60.945 60.945 64.222 -3.277 17832 1109 1 3 . 1 1 61 61 SER H H 58 8.331 8.331 8.788 -0.457 17832 1110 1 3 . 1 1 62 62 SER N N 59 117.805 117.805 116.473 1.332 17832 1111 1 3 . 1 1 62 62 SER C C 59 171.778 171.778 173.430 -1.652 17832 1112 1 3 . 1 1 62 62 SER CA C 59 56.290 56.290 57.926 -1.636 17832 1113 1 3 . 1 1 62 62 SER CB C 59 60.930 60.930 65.516 -4.586 17832 1114 1 3 . 1 1 62 62 SER H H 59 8.334 8.334 7.758 0.576 17832 1115 1 3 . 1 1 63 63 ASP N N 60 122.124 122.124 121.693 0.431 17832 1116 1 3 . 1 1 63 63 ASP HA H 60 4.512 4.512 4.733 -0.221 17832 1117 1 3 . 1 1 63 63 ASP C C 60 173.550 173.550 176.840 -3.290 17832 1118 1 3 . 1 1 63 63 ASP CA C 60 51.916 51.916 54.308 -2.392 17832 1119 1 3 . 1 1 63 63 ASP CB C 60 38.264 38.264 41.301 -3.037 17832 1120 1 3 . 1 1 63 63 ASP H H 60 8.278 8.278 8.467 -0.189 17832 1121 1 3 . 1 1 64 64 LEU N N 61 121.450 121.450 120.456 0.994 17832 1122 1 3 . 1 1 64 64 LEU HA H 61 4.223 4.223 4.283 -0.060 17832 1123 1 3 . 1 1 64 64 LEU C C 61 174.603 174.603 176.361 -1.758 17832 1124 1 3 . 1 1 64 64 LEU CA C 61 52.640 52.640 55.293 -2.653 17832 1125 1 3 . 1 1 64 64 LEU CB C 61 39.502 39.502 42.443 -2.941 17832 1126 1 3 . 1 1 64 64 LEU H H 61 7.931 7.931 7.621 0.310 17832 1127 1 3 . 1 1 65 65 LEU N N 62 122.042 122.042 122.597 -0.555 17832 1128 1 3 . 1 1 65 65 LEU HA H 62 4.273 4.273 4.437 -0.164 17832 1129 1 3 . 1 1 65 65 LEU C C 62 174.372 174.372 176.434 -2.062 17832 1130 1 3 . 1 1 65 65 LEU CA C 62 52.339 52.339 54.411 -2.072 17832 1131 1 3 . 1 1 65 65 LEU CB C 62 39.426 39.426 42.212 -2.786 17832 1132 1 3 . 1 1 65 65 LEU H H 62 8.023 8.023 8.546 -0.523 17832 1133 1 3 . 1 1 66 66 LYS N N 63 122.782 122.782 123.237 -0.455 17832 1134 1 3 . 1 1 66 66 LYS HA H 63 4.349 4.349 3.963 0.386 17832 1135 1 3 . 1 1 66 66 LYS C C 63 173.936 173.936 175.938 -2.002 17832 1136 1 3 . 1 1 66 66 LYS CA C 63 53.305 53.305 57.235 -3.930 17832 1137 1 3 . 1 1 66 66 LYS CB C 63 30.305 30.305 32.503 -2.198 17832 1138 1 3 . 1 1 66 66 LYS H H 63 8.145 8.145 8.678 -0.533 17832 1139 1 3 . 1 1 67 67 THR N N 64 115.478 115.478 115.339 0.139 17832 1140 1 3 . 1 1 67 67 THR HA H 64 4.298 4.298 4.444 -0.146 17832 1141 1 3 . 1 1 67 67 THR C C 64 171.473 171.473 174.418 -2.945 17832 1142 1 3 . 1 1 67 67 THR CA C 64 58.943 58.943 61.692 -2.749 17832 1143 1 3 . 1 1 67 67 THR CB C 64 67.038 67.038 68.285 -1.247 17832 1144 1 3 . 1 1 67 67 THR H H 64 8.196 8.196 8.485 -0.289 17832 1145 1 3 . 1 1 68 68 ASP N N 65 122.013 122.013 121.716 0.297 17832 1146 1 3 . 1 1 68 68 ASP C C 65 173.191 173.191 176.270 -3.079 17832 1147 1 3 . 1 1 68 68 ASP CA C 65 51.628 51.628 56.053 -4.425 17832 1148 1 3 . 1 1 68 68 ASP CB C 65 38.495 38.495 41.637 -3.142 17832 1149 1 3 . 1 1 68 68 ASP H H 65 8.307 8.307 8.529 -0.222 17832 1150 1 3 . 1 1 69 69 GLU N N 66 121.260 121.260 118.756 2.504 17832 1151 1 3 . 1 1 69 69 GLU HA H 66 4.235 4.235 4.591 -0.356 17832 1152 1 3 . 1 1 69 69 GLU C C 66 172.706 172.706 175.191 -2.485 17832 1153 1 3 . 1 1 69 69 GLU CA C 66 53.881 53.881 55.836 -1.955 17832 1154 1 3 . 1 1 69 69 GLU CB C 66 27.731 27.731 31.449 -3.718 17832 1155 1 3 . 1 1 69 69 GLU H H 66 8.216 8.216 8.157 0.059 17832 1156 1 4 . 1 1 3 3 MET C C 0 173.346 173.346 176.212 -2.866 17832 1157 1 4 . 1 1 3 3 MET CA C 0 52.930 52.930 56.148 -3.218 17832 1158 1 4 . 1 1 3 3 MET CB C 0 29.966 29.966 34.010 -4.044 17832 1159 1 4 . 1 1 4 4 MET N N 1 121.822 121.822 118.414 3.408 17832 1160 1 4 . 1 1 4 4 MET HA H 1 4.378 4.378 4.580 -0.202 17832 1161 1 4 . 1 1 4 4 MET C C 1 173.585 173.585 175.319 -1.734 17832 1162 1 4 . 1 1 4 4 MET CA C 1 52.943 52.943 55.043 -2.100 17832 1163 1 4 . 1 1 4 4 MET CB C 1 30.112 30.112 31.546 -1.434 17832 1164 1 4 . 1 1 4 4 MET H H 1 8.553 8.553 7.582 0.971 17832 1165 1 4 . 1 1 5 5 SER N N 2 117.291 117.291 118.661 -1.370 17832 1166 1 4 . 1 1 5 5 SER HA H 2 4.402 4.402 4.556 -0.154 17832 1167 1 4 . 1 1 5 5 SER C C 2 171.427 171.427 174.370 -2.943 17832 1168 1 4 . 1 1 5 5 SER CA C 2 55.920 55.920 59.409 -3.489 17832 1169 1 4 . 1 1 5 5 SER CB C 2 61.033 61.033 64.256 -3.223 17832 1170 1 4 . 1 1 5 5 SER H H 2 8.337 8.337 8.014 0.323 17832 1171 1 4 . 1 1 6 6 LYS N N 3 121.932 121.932 126.055 -4.123 17832 1172 1 4 . 1 1 6 6 LYS HA H 3 4.282 4.282 4.709 -0.427 17832 1173 1 4 . 1 1 6 6 LYS C C 3 173.822 173.822 175.448 -1.626 17832 1174 1 4 . 1 1 6 6 LYS CA C 3 53.556 53.556 55.709 -2.153 17832 1175 1 4 . 1 1 6 6 LYS CB C 3 30.569 30.569 31.765 -1.196 17832 1176 1 4 . 1 1 6 6 LYS H H 3 8.216 8.216 8.579 -0.363 17832 1177 1 4 . 1 1 7 7 LEU N N 4 123.131 123.131 124.263 -1.132 17832 1178 1 4 . 1 1 7 7 LEU HA H 4 4.310 4.310 4.154 0.156 17832 1179 1 4 . 1 1 7 7 LEU C C 4 176.226 176.226 175.504 0.722 17832 1180 1 4 . 1 1 7 7 LEU CA C 4 52.753 52.753 56.004 -3.251 17832 1181 1 4 . 1 1 7 7 LEU CB C 4 39.626 39.626 41.353 -1.727 17832 1182 1 4 . 1 1 7 7 LEU H H 4 8.301 8.301 8.586 -0.285 17832 1183 1 4 . 1 1 8 8 PHE N N 5 122.547 122.547 123.483 -0.936 17832 1184 1 4 . 1 1 8 8 PHE HA H 5 4.313 4.313 4.693 -0.380 17832 1185 1 4 . 1 1 8 8 PHE CA C 5 56.963 56.963 59.007 -2.044 17832 1186 1 4 . 1 1 8 8 PHE CB C 5 35.205 35.205 40.292 -5.087 17832 1187 1 4 . 1 1 8 8 PHE H H 5 8.764 8.764 7.967 0.797 17832 1188 1 4 . 1 1 9 9 LEU HA H 6 3.079 3.079 4.207 -1.128 17832 1189 1 4 . 1 1 9 9 LEU C C 6 175.830 175.830 178.056 -2.226 17832 1190 1 4 . 1 1 9 9 LEU CA C 6 54.075 54.075 57.475 -3.400 17832 1191 1 4 . 1 1 9 9 LEU CB C 6 38.429 38.429 41.930 -3.501 17832 1192 1 4 . 1 1 10 10 ASP N N 7 116.164 116.164 117.605 -1.441 17832 1193 1 4 . 1 1 10 10 ASP HA H 7 4.294 4.294 4.414 -0.120 17832 1194 1 4 . 1 1 10 10 ASP C C 7 174.240 174.240 177.360 -3.120 17832 1195 1 4 . 1 1 10 10 ASP CA C 7 53.201 53.201 56.614 -3.413 17832 1196 1 4 . 1 1 10 10 ASP CB C 7 37.826 37.826 40.663 -2.837 17832 1197 1 4 . 1 1 10 10 ASP H H 7 7.488 7.488 8.522 -1.034 17832 1198 1 4 . 1 1 11 11 GLU N N 8 116.711 116.711 117.296 -0.585 17832 1199 1 4 . 1 1 11 11 GLU HA H 8 4.296 4.296 4.061 0.235 17832 1200 1 4 . 1 1 11 11 GLU C C 8 173.322 173.322 177.449 -4.127 17832 1201 1 4 . 1 1 11 11 GLU CA C 8 53.231 53.231 57.731 -4.500 17832 1202 1 4 . 1 1 11 11 GLU CB C 8 27.333 27.333 30.042 -2.709 17832 1203 1 4 . 1 1 11 11 GLU H H 8 7.496 7.496 8.037 -0.541 17832 1204 1 4 . 1 1 12 12 LEU N N 9 117.751 117.751 117.398 0.353 17832 1205 1 4 . 1 1 12 12 LEU HA H 9 4.313 4.313 4.240 0.073 17832 1206 1 4 . 1 1 12 12 LEU C C 9 171.541 171.541 174.992 -3.451 17832 1207 1 4 . 1 1 12 12 LEU CA C 9 49.264 49.264 53.735 -4.471 17832 1208 1 4 . 1 1 12 12 LEU CB C 9 38.581 38.581 40.854 -2.273 17832 1209 1 4 . 1 1 12 12 LEU H H 9 6.803 6.803 7.256 -0.453 17832 1210 1 4 . 1 1 13 13 PRO HA H 10 4.311 4.311 4.375 -0.064 17832 1211 1 4 . 1 1 13 13 PRO C C 10 174.746 174.746 178.092 -3.346 17832 1212 1 4 . 1 1 13 13 PRO CA C 10 60.083 60.083 63.063 -2.980 17832 1213 1 4 . 1 1 13 13 PRO CB C 10 29.131 29.131 32.495 -3.364 17832 1214 1 4 . 1 1 14 14 GLU N N 11 125.693 125.693 121.351 4.342 17832 1215 1 4 . 1 1 14 14 GLU HA H 11 3.854 3.854 3.953 -0.099 17832 1216 1 4 . 1 1 14 14 GLU C C 11 175.180 175.180 178.611 -3.431 17832 1217 1 4 . 1 1 14 14 GLU CA C 11 57.035 57.035 60.559 -3.524 17832 1218 1 4 . 1 1 14 14 GLU CB C 11 26.761 26.761 29.100 -2.339 17832 1219 1 4 . 1 1 14 14 GLU H H 11 8.777 8.777 8.863 -0.086 17832 1220 1 4 . 1 1 15 15 SER N N 12 111.734 111.734 115.654 -3.920 17832 1221 1 4 . 1 1 15 15 SER HA H 12 3.884 3.884 4.189 -0.305 17832 1222 1 4 . 1 1 15 15 SER C C 12 173.687 173.687 176.434 -2.747 17832 1223 1 4 . 1 1 15 15 SER CA C 12 58.230 58.230 60.895 -2.665 17832 1224 1 4 . 1 1 15 15 SER CB C 12 58.977 58.977 62.952 -3.975 17832 1225 1 4 . 1 1 15 15 SER H H 12 8.563 8.563 8.181 0.382 17832 1226 1 4 . 1 1 16 16 LEU N N 13 122.925 122.925 121.341 1.584 17832 1227 1 4 . 1 1 16 16 LEU HA H 13 4.081 4.081 4.248 -0.167 17832 1228 1 4 . 1 1 16 16 LEU C C 13 175.385 175.385 178.334 -2.949 17832 1229 1 4 . 1 1 16 16 LEU CA C 13 54.057 54.057 56.299 -2.242 17832 1230 1 4 . 1 1 16 16 LEU CB C 13 39.498 39.498 41.950 -2.452 17832 1231 1 4 . 1 1 16 16 LEU H H 13 6.828 6.828 7.804 -0.976 17832 1232 1 4 . 1 1 17 17 SER N N 14 114.839 114.839 115.522 -0.683 17832 1233 1 4 . 1 1 17 17 SER HA H 14 3.585 3.585 4.102 -0.517 17832 1234 1 4 . 1 1 17 17 SER C C 14 175.435 175.435 176.950 -1.515 17832 1235 1 4 . 1 1 17 17 SER CA C 14 58.835 58.835 61.809 -2.974 17832 1236 1 4 . 1 1 17 17 SER CB C 14 59.345 59.345 62.931 -3.586 17832 1237 1 4 . 1 1 17 17 SER H H 14 8.266 8.266 8.074 0.192 17832 1238 1 4 . 1 1 18 18 ARG N N 15 121.474 121.474 121.229 0.245 17832 1239 1 4 . 1 1 18 18 ARG HA H 15 3.897 3.897 4.119 -0.222 17832 1240 1 4 . 1 1 18 18 ARG C C 15 176.749 176.749 178.560 -1.811 17832 1241 1 4 . 1 1 18 18 ARG CA C 15 56.827 56.827 59.032 -2.205 17832 1242 1 4 . 1 1 18 18 ARG CB C 15 27.154 27.154 29.964 -2.810 17832 1243 1 4 . 1 1 18 18 ARG H H 15 8.385 8.385 7.758 0.627 17832 1244 1 4 . 1 1 19 19 LYS N N 16 119.494 119.494 120.731 -1.237 17832 1245 1 4 . 1 1 19 19 LYS HA H 16 3.947 3.947 4.282 -0.335 17832 1246 1 4 . 1 1 19 19 LYS C C 16 177.319 177.319 179.193 -1.874 17832 1247 1 4 . 1 1 19 19 LYS CA C 16 57.412 57.412 59.392 -1.980 17832 1248 1 4 . 1 1 19 19 LYS CB C 16 30.432 30.432 32.532 -2.100 17832 1249 1 4 . 1 1 19 19 LYS H H 16 7.269 7.269 7.578 -0.309 17832 1250 1 4 . 1 1 20 20 ILE N N 17 120.972 120.972 119.867 1.105 17832 1251 1 4 . 1 1 20 20 ILE HA H 17 2.813 2.813 3.670 -0.857 17832 1252 1 4 . 1 1 20 20 ILE C C 17 175.324 175.324 178.022 -2.698 17832 1253 1 4 . 1 1 20 20 ILE CA C 17 63.012 63.012 65.286 -2.274 17832 1254 1 4 . 1 1 20 20 ILE CB C 17 34.710 34.710 37.791 -3.081 17832 1255 1 4 . 1 1 20 20 ILE H H 17 7.993 7.993 8.555 -0.562 17832 1256 1 4 . 1 1 21 21 GLY N N 18 106.894 106.894 105.870 1.024 17832 1257 1 4 . 1 1 21 21 GLY C C 18 173.161 173.161 175.290 -2.129 17832 1258 1 4 . 1 1 21 21 GLY CA C 18 44.450 44.450 47.800 -3.350 17832 1259 1 4 . 1 1 21 21 GLY H H 18 8.259 8.259 8.272 -0.013 17832 1260 1 4 . 1 1 22 22 THR N N 19 113.696 113.696 114.493 -0.797 17832 1261 1 4 . 1 1 22 22 THR HA H 19 3.946 3.946 4.180 -0.234 17832 1262 1 4 . 1 1 22 22 THR C C 19 173.081 173.081 175.758 -2.677 17832 1263 1 4 . 1 1 22 22 THR CA C 19 62.984 62.984 64.322 -1.338 17832 1264 1 4 . 1 1 22 22 THR CB C 19 66.403 66.403 68.386 -1.983 17832 1265 1 4 . 1 1 22 22 THR H H 19 7.502 7.502 7.206 0.296 17832 1266 1 4 . 1 1 23 23 VAL N N 20 123.120 123.120 120.429 2.691 17832 1267 1 4 . 1 1 23 23 VAL HA H 20 3.649 3.649 3.889 -0.240 17832 1268 1 4 . 1 1 23 23 VAL C C 20 174.858 174.858 177.763 -2.905 17832 1269 1 4 . 1 1 23 23 VAL CA C 20 62.761 62.761 65.450 -2.688 17832 1270 1 4 . 1 1 23 23 VAL CB C 20 29.222 29.222 31.851 -2.629 17832 1271 1 4 . 1 1 23 23 VAL H H 20 7.168 7.168 7.525 -0.357 17832 1272 1 4 . 1 1 24 24 VAL N N 21 119.729 119.729 120.736 -1.007 17832 1273 1 4 . 1 1 24 24 VAL HA H 21 3.541 3.541 3.673 -0.132 17832 1274 1 4 . 1 1 24 24 VAL C C 21 174.410 174.410 178.255 -3.845 17832 1275 1 4 . 1 1 24 24 VAL CA C 21 61.966 61.966 66.330 -4.364 17832 1276 1 4 . 1 1 24 24 VAL CB C 21 29.360 29.360 31.399 -2.039 17832 1277 1 4 . 1 1 24 24 VAL H H 21 8.129 8.129 7.789 0.340 17832 1278 1 4 . 1 1 25 25 ARG N N 22 116.239 116.239 119.118 -2.879 17832 1279 1 4 . 1 1 25 25 ARG HA H 22 3.952 3.952 4.028 -0.076 17832 1280 1 4 . 1 1 25 25 ARG C C 22 174.899 174.899 177.384 -2.485 17832 1281 1 4 . 1 1 25 25 ARG CA C 22 56.097 56.097 58.918 -2.821 17832 1282 1 4 . 1 1 25 25 ARG CB C 22 27.473 27.473 29.980 -2.507 17832 1283 1 4 . 1 1 25 25 ARG H H 22 7.633 7.633 8.024 -0.391 17832 1284 1 4 . 1 1 26 26 VAL N N 23 115.006 115.006 117.277 -2.271 17832 1285 1 4 . 1 1 26 26 VAL HA H 23 3.995 3.995 3.908 0.087 17832 1286 1 4 . 1 1 26 26 VAL C C 23 173.187 173.187 176.398 -3.211 17832 1287 1 4 . 1 1 26 26 VAL CA C 23 61.107 61.107 64.772 -3.665 17832 1288 1 4 . 1 1 26 26 VAL CB C 23 29.977 29.977 32.764 -2.787 17832 1289 1 4 . 1 1 26 26 VAL H H 23 6.886 6.886 7.875 -0.989 17832 1290 1 4 . 1 1 27 27 LEU N N 24 120.940 120.940 119.792 1.148 17832 1291 1 4 . 1 1 27 27 LEU HA H 24 4.930 4.930 4.841 0.089 17832 1292 1 4 . 1 1 27 27 LEU C C 24 171.363 171.363 175.078 -3.715 17832 1293 1 4 . 1 1 27 27 LEU CA C 24 48.752 48.752 52.591 -3.839 17832 1294 1 4 . 1 1 27 27 LEU CB C 24 40.669 40.669 43.675 -3.006 17832 1295 1 4 . 1 1 27 27 LEU H H 24 8.338 8.338 7.492 0.846 17832 1296 1 4 . 1 1 28 28 PRO HA H 25 4.767 4.767 4.398 0.369 17832 1297 1 4 . 1 1 28 28 PRO C C 25 176.742 176.742 177.237 -0.495 17832 1298 1 4 . 1 1 28 28 PRO CA C 25 63.453 63.453 64.932 -1.479 17832 1299 1 4 . 1 1 28 28 PRO CB C 25 29.004 29.004 31.926 -2.922 17832 1300 1 4 . 1 1 29 29 SER N N 26 111.726 111.726 113.117 -1.391 17832 1301 1 4 . 1 1 29 29 SER HA H 26 4.422 4.422 4.341 0.081 17832 1302 1 4 . 1 1 29 29 SER C C 26 172.811 172.811 175.784 -2.973 17832 1303 1 4 . 1 1 29 29 SER CA C 26 57.331 57.331 59.571 -2.240 17832 1304 1 4 . 1 1 29 29 SER CB C 26 59.552 59.552 62.890 -3.338 17832 1305 1 4 . 1 1 29 29 SER H H 26 8.279 8.279 8.090 0.189 17832 1306 1 4 . 1 1 30 30 SER N N 27 116.503 116.503 118.370 -1.867 17832 1307 1 4 . 1 1 30 30 SER HA H 27 4.103 4.103 4.089 0.014 17832 1308 1 4 . 1 1 30 30 SER C C 27 174.324 174.324 176.320 -1.996 17832 1309 1 4 . 1 1 30 30 SER CA C 27 58.661 58.661 60.400 -1.738 17832 1310 1 4 . 1 1 30 30 SER CB C 27 61.593 61.593 63.038 -1.445 17832 1311 1 4 . 1 1 30 30 SER H H 27 8.642 8.642 7.915 0.727 17832 1312 1 4 . 1 1 31 31 LEU N N 28 126.322 126.322 122.541 3.781 17832 1313 1 4 . 1 1 31 31 LEU HA H 28 4.281 4.281 4.101 0.180 17832 1314 1 4 . 1 1 31 31 LEU C C 28 175.385 175.385 177.400 -2.015 17832 1315 1 4 . 1 1 31 31 LEU CA C 28 56.992 56.992 57.827 -0.835 17832 1316 1 4 . 1 1 31 31 LEU CB C 28 38.241 38.241 41.923 -3.682 17832 1317 1 4 . 1 1 31 31 LEU H H 28 7.634 7.634 7.706 -0.072 17832 1318 1 4 . 1 1 32 32 GLU N N 29 114.812 114.812 119.441 -4.629 17832 1319 1 4 . 1 1 32 32 GLU HA H 29 4.230 4.230 4.167 0.063 17832 1320 1 4 . 1 1 32 32 GLU C C 29 175.711 175.711 178.923 -3.212 17832 1321 1 4 . 1 1 32 32 GLU CA C 29 56.205 56.205 59.302 -3.097 17832 1322 1 4 . 1 1 32 32 GLU CB C 29 26.903 26.903 29.406 -2.503 17832 1323 1 4 . 1 1 32 32 GLU H H 29 8.283 8.283 7.498 0.785 17832 1324 1 4 . 1 1 33 33 ILE N N 30 121.972 121.972 118.991 2.981 17832 1325 1 4 . 1 1 33 33 ILE HA H 30 3.773 3.773 3.726 0.047 17832 1326 1 4 . 1 1 33 33 ILE C C 30 175.177 175.177 177.954 -2.777 17832 1327 1 4 . 1 1 33 33 ILE CA C 30 62.116 62.116 64.673 -2.557 17832 1328 1 4 . 1 1 33 33 ILE CB C 30 35.018 35.018 37.979 -2.961 17832 1329 1 4 . 1 1 33 33 ILE H H 30 7.477 7.477 7.876 -0.399 17832 1330 1 4 . 1 1 34 34 PHE N N 31 117.727 117.727 118.902 -1.175 17832 1331 1 4 . 1 1 34 34 PHE HA H 31 4.208 4.208 4.214 -0.006 17832 1332 1 4 . 1 1 34 34 PHE C C 31 174.731 174.731 178.024 -3.293 17832 1333 1 4 . 1 1 34 34 PHE CA C 31 61.035 61.035 60.306 0.729 17832 1334 1 4 . 1 1 34 34 PHE CB C 31 36.224 36.224 37.782 -1.558 17832 1335 1 4 . 1 1 34 34 PHE H H 31 8.137 8.137 7.109 1.028 17832 1336 1 4 . 1 1 35 35 GLU N N 32 118.271 118.271 118.841 -0.570 17832 1337 1 4 . 1 1 35 35 GLU HA H 32 2.721 2.721 4.709 -1.988 17832 1338 1 4 . 1 1 35 35 GLU C C 32 174.785 174.785 178.971 -4.186 17832 1339 1 4 . 1 1 35 35 GLU CA C 32 57.304 57.304 60.057 -2.753 17832 1340 1 4 . 1 1 35 35 GLU CB C 32 26.997 26.997 29.281 -2.284 17832 1341 1 4 . 1 1 35 35 GLU H H 32 8.249 8.249 9.012 -0.763 17832 1342 1 4 . 1 1 36 36 GLU N N 33 119.678 119.678 120.066 -0.388 17832 1343 1 4 . 1 1 36 36 GLU HA H 33 3.887 3.887 4.071 -0.184 17832 1344 1 4 . 1 1 36 36 GLU C C 33 176.760 176.760 178.788 -2.028 17832 1345 1 4 . 1 1 36 36 GLU CA C 33 57.241 57.241 58.069 -0.828 17832 1346 1 4 . 1 1 36 36 GLU CB C 33 26.806 26.806 29.946 -3.140 17832 1347 1 4 . 1 1 36 36 GLU H H 33 7.971 7.971 7.641 0.330 17832 1348 1 4 . 1 1 37 37 LEU N N 34 120.144 120.144 121.516 -1.372 17832 1349 1 4 . 1 1 37 37 LEU HA H 34 4.280 4.280 4.038 0.242 17832 1350 1 4 . 1 1 37 37 LEU C C 34 174.327 174.327 178.707 -4.380 17832 1351 1 4 . 1 1 37 37 LEU CA C 34 55.502 55.502 57.940 -2.438 17832 1352 1 4 . 1 1 37 37 LEU CB C 34 39.354 39.354 42.235 -2.881 17832 1353 1 4 . 1 1 37 37 LEU H H 34 8.278 8.278 7.920 0.358 17832 1354 1 4 . 1 1 38 38 TYR N N 35 119.703 119.703 117.441 2.262 17832 1355 1 4 . 1 1 38 38 TYR HA H 35 4.070 4.070 4.178 -0.108 17832 1356 1 4 . 1 1 38 38 TYR C C 35 173.298 173.298 177.697 -4.399 17832 1357 1 4 . 1 1 38 38 TYR CA C 35 59.098 59.098 60.520 -1.422 17832 1358 1 4 . 1 1 38 38 TYR CB C 35 36.534 36.534 37.570 -1.036 17832 1359 1 4 . 1 1 38 38 TYR H H 35 8.417 8.417 8.412 0.005 17832 1360 1 4 . 1 1 39 39 LYS N N 36 115.392 115.392 119.116 -3.724 17832 1361 1 4 . 1 1 39 39 LYS HA H 36 3.621 3.621 3.620 0.001 17832 1362 1 4 . 1 1 39 39 LYS C C 36 176.456 176.456 178.696 -2.240 17832 1363 1 4 . 1 1 39 39 LYS CA C 36 57.011 57.011 58.985 -1.974 17832 1364 1 4 . 1 1 39 39 LYS CB C 36 29.694 29.694 31.731 -2.037 17832 1365 1 4 . 1 1 39 39 LYS H H 36 8.441 8.441 6.918 1.523 17832 1366 1 4 . 1 1 40 40 TYR N N 37 120.325 120.325 120.271 0.054 17832 1367 1 4 . 1 1 40 40 TYR HA H 37 4.078 4.078 4.079 -0.001 17832 1368 1 4 . 1 1 40 40 TYR C C 37 175.043 175.043 177.019 -1.976 17832 1369 1 4 . 1 1 40 40 TYR CA C 37 58.971 58.971 61.400 -2.429 17832 1370 1 4 . 1 1 40 40 TYR CB C 37 35.875 35.875 38.397 -2.522 17832 1371 1 4 . 1 1 40 40 TYR H H 37 8.344 8.344 7.679 0.665 17832 1372 1 4 . 1 1 41 41 ALA N N 38 121.802 121.802 120.852 0.950 17832 1373 1 4 . 1 1 41 41 ALA HA H 38 3.746 3.746 4.147 -0.401 17832 1374 1 4 . 1 1 41 41 ALA C C 38 175.962 175.962 179.585 -3.623 17832 1375 1 4 . 1 1 41 41 ALA CA C 38 51.780 51.780 54.657 -2.877 17832 1376 1 4 . 1 1 41 41 ALA CB C 38 17.381 17.381 18.398 -1.016 17832 1377 1 4 . 1 1 41 41 ALA H H 38 8.291 8.291 7.927 0.364 17832 1378 1 4 . 1 1 42 42 LEU N N 39 116.563 116.563 117.171 -0.608 17832 1379 1 4 . 1 1 42 42 LEU HA H 39 3.820 3.820 4.058 -0.238 17832 1380 1 4 . 1 1 42 42 LEU C C 39 176.020 176.020 178.251 -2.231 17832 1381 1 4 . 1 1 42 42 LEU CA C 39 54.011 54.011 56.973 -2.962 17832 1382 1 4 . 1 1 42 42 LEU CB C 39 39.796 39.796 41.712 -1.916 17832 1383 1 4 . 1 1 42 42 LEU H H 39 7.865 7.865 7.671 0.194 17832 1384 1 4 . 1 1 43 43 ASN N N 40 115.561 115.561 117.518 -1.957 17832 1385 1 4 . 1 1 43 43 ASN HA H 40 4.436 4.436 4.488 -0.052 17832 1386 1 4 . 1 1 43 43 ASN C C 40 173.390 173.390 177.577 -4.187 17832 1387 1 4 . 1 1 43 43 ASN CA C 40 51.492 51.492 55.328 -3.837 17832 1388 1 4 . 1 1 43 43 ASN CB C 40 36.401 36.401 38.706 -2.305 17832 1389 1 4 . 1 1 43 43 ASN H H 40 7.467 7.467 7.667 -0.200 17832 1390 1 4 . 1 1 44 44 GLU N N 41 120.609 120.609 118.923 1.686 17832 1391 1 4 . 1 1 44 44 GLU HA H 41 3.986 3.986 3.971 0.015 17832 1392 1 4 . 1 1 44 44 GLU C C 41 174.161 174.161 177.535 -3.374 17832 1393 1 4 . 1 1 44 44 GLU CA C 41 54.775 54.775 58.593 -3.817 17832 1394 1 4 . 1 1 44 44 GLU CB C 41 27.094 27.094 28.854 -1.760 17832 1395 1 4 . 1 1 44 44 GLU H H 41 7.817 7.817 7.576 0.241 17832 1396 1 4 . 1 1 45 45 ASN N N 42 118.453 118.453 117.056 1.397 17832 1397 1 4 . 1 1 45 45 ASN HA H 42 4.618 4.618 4.526 0.092 17832 1398 1 4 . 1 1 45 45 ASN C C 42 172.912 172.912 175.673 -2.761 17832 1399 1 4 . 1 1 45 45 ASN CA C 42 50.988 50.988 54.740 -3.752 17832 1400 1 4 . 1 1 45 45 ASN CB C 42 36.267 36.267 38.921 -2.654 17832 1401 1 4 . 1 1 45 45 ASN H H 42 8.087 8.087 7.835 0.253 17832 1402 1 4 . 1 1 46 46 SER N N 43 115.581 115.581 114.820 0.761 17832 1403 1 4 . 1 1 46 46 SER HA H 43 4.292 4.292 4.387 -0.095 17832 1404 1 4 . 1 1 46 46 SER C C 43 172.136 172.136 173.108 -0.972 17832 1405 1 4 . 1 1 46 46 SER CA C 43 56.202 56.202 58.874 -2.672 17832 1406 1 4 . 1 1 46 46 SER CB C 43 60.909 60.909 63.903 -2.994 17832 1407 1 4 . 1 1 46 46 SER H H 43 8.062 8.062 7.620 0.442 17832 1408 1 4 . 1 1 47 47 ASN N N 44 120.517 120.517 118.200 2.317 17832 1409 1 4 . 1 1 47 47 ASN HA H 44 4.617 4.617 4.684 -0.067 17832 1410 1 4 . 1 1 47 47 ASN C C 44 172.545 172.545 174.327 -1.782 17832 1411 1 4 . 1 1 47 47 ASN CA C 44 51.174 51.174 52.807 -1.633 17832 1412 1 4 . 1 1 47 47 ASN CB C 44 36.208 36.208 38.730 -2.522 17832 1413 1 4 . 1 1 47 47 ASN H H 44 8.329 8.329 8.283 0.046 17832 1414 1 4 . 1 1 48 48 ASP N N 45 120.294 120.294 121.333 -1.039 17832 1415 1 4 . 1 1 48 48 ASP HA H 45 4.500 4.500 4.820 -0.320 17832 1416 1 4 . 1 1 48 48 ASP C C 45 173.835 173.835 175.161 -1.326 17832 1417 1 4 . 1 1 48 48 ASP CA C 45 52.030 52.030 54.094 -2.064 17832 1418 1 4 . 1 1 48 48 ASP CB C 45 38.326 38.326 42.078 -3.752 17832 1419 1 4 . 1 1 48 48 ASP H H 45 8.220 8.220 8.410 -0.190 17832 1420 1 4 . 1 1 49 49 ARG N N 46 121.139 121.139 122.834 -1.695 17832 1421 1 4 . 1 1 49 49 ARG HA H 46 4.274 4.274 4.429 -0.155 17832 1422 1 4 . 1 1 49 49 ARG C C 46 174.032 174.032 174.750 -0.718 17832 1423 1 4 . 1 1 49 49 ARG CA C 46 53.425 53.425 55.415 -1.990 17832 1424 1 4 . 1 1 49 49 ARG CB C 46 27.615 27.615 32.386 -4.771 17832 1425 1 4 . 1 1 49 49 ARG H H 46 8.180 8.180 8.149 0.031 17832 1426 1 4 . 1 1 50 50 SER N N 47 116.289 116.289 115.014 1.275 17832 1427 1 4 . 1 1 50 50 SER HA H 47 4.269 4.269 4.256 0.013 17832 1428 1 4 . 1 1 50 50 SER C C 47 172.337 172.337 174.489 -2.152 17832 1429 1 4 . 1 1 50 50 SER CA C 47 56.379 56.379 58.901 -2.522 17832 1430 1 4 . 1 1 50 50 SER CB C 47 60.970 60.970 62.402 -1.432 17832 1431 1 4 . 1 1 50 50 SER H H 47 8.236 8.236 8.668 -0.432 17832 1432 1 4 . 1 1 51 51 GLU N N 48 122.019 122.019 122.396 -0.377 17832 1433 1 4 . 1 1 51 51 GLU HA H 48 4.134 4.134 4.414 -0.280 17832 1434 1 4 . 1 1 51 51 GLU C C 48 174.002 174.002 176.488 -2.486 17832 1435 1 4 . 1 1 51 51 GLU CA C 48 54.285 54.285 56.807 -2.522 17832 1436 1 4 . 1 1 51 51 GLU CB C 48 27.192 27.192 30.962 -3.770 17832 1437 1 4 . 1 1 51 51 GLU H H 48 8.423 8.423 8.542 -0.119 17832 1438 1 4 . 1 1 52 52 HIS N N 49 119.075 119.075 116.110 2.965 17832 1439 1 4 . 1 1 52 52 HIS HA H 49 4.486 4.486 4.802 -0.316 17832 1440 1 4 . 1 1 52 52 HIS C C 49 172.663 172.663 174.778 -2.115 17832 1441 1 4 . 1 1 52 52 HIS CA C 49 53.775 53.775 55.177 -1.402 17832 1442 1 4 . 1 1 52 52 HIS CB C 49 27.714 27.714 29.913 -2.200 17832 1443 1 4 . 1 1 52 52 HIS H H 49 8.117 8.117 7.773 0.344 17832 1444 1 4 . 1 1 53 53 HIS N N 50 119.483 119.483 119.164 0.319 17832 1445 1 4 . 1 1 53 53 HIS HA H 50 4.538 4.538 4.483 0.055 17832 1446 1 4 . 1 1 53 53 HIS C C 50 172.355 172.355 175.062 -2.707 17832 1447 1 4 . 1 1 53 53 HIS CA C 50 53.433 53.433 55.502 -2.069 17832 1448 1 4 . 1 1 53 53 HIS CB C 50 27.694 27.694 30.832 -3.138 17832 1449 1 4 . 1 1 53 53 HIS H H 50 8.068 8.068 8.552 -0.484 17832 1450 1 4 . 1 1 54 54 LYS N N 51 122.136 122.136 120.175 1.961 17832 1451 1 4 . 1 1 54 54 LYS HA H 51 4.215 4.215 4.305 -0.090 17832 1452 1 4 . 1 1 54 54 LYS C C 51 173.474 173.474 176.107 -2.633 17832 1453 1 4 . 1 1 54 54 LYS CA C 51 53.445 53.445 56.338 -2.893 17832 1454 1 4 . 1 1 54 54 LYS CB C 51 30.329 30.329 31.970 -1.641 17832 1455 1 4 . 1 1 54 54 LYS H H 51 8.121 8.121 7.932 0.189 17832 1456 1 4 . 1 1 55 55 LYS N N 52 124.022 124.022 125.586 -1.564 17832 1457 1 4 . 1 1 55 55 LYS HA H 52 4.508 4.508 4.703 -0.195 17832 1458 1 4 . 1 1 55 55 LYS C C 52 171.685 171.685 174.426 -2.741 17832 1459 1 4 . 1 1 55 55 LYS CA C 52 51.516 51.516 54.142 -2.626 17832 1460 1 4 . 1 1 55 55 LYS CB C 52 29.818 29.818 33.487 -3.669 17832 1461 1 4 . 1 1 55 55 LYS H H 52 8.262 8.262 8.553 -0.291 17832 1462 1 4 . 1 1 56 56 PRO HA H 53 4.340 4.340 4.371 -0.031 17832 1463 1 4 . 1 1 56 56 PRO C C 53 173.830 173.830 177.211 -3.381 17832 1464 1 4 . 1 1 56 56 PRO CA C 53 60.496 60.496 63.037 -2.541 17832 1465 1 4 . 1 1 56 56 PRO CB C 53 29.444 29.444 32.394 -2.950 17832 1466 1 4 . 1 1 57 57 ARG N N 54 121.870 121.870 123.525 -1.655 17832 1467 1 4 . 1 1 57 57 ARG HA H 54 4.279 4.279 4.421 -0.142 17832 1468 1 4 . 1 1 57 57 ARG C C 54 173.560 173.560 175.106 -1.546 17832 1469 1 4 . 1 1 57 57 ARG CA C 54 53.172 53.172 56.020 -2.848 17832 1470 1 4 . 1 1 57 57 ARG CB C 54 28.273 28.273 28.870 -0.597 17832 1471 1 4 . 1 1 57 57 ARG H H 54 8.396 8.396 8.684 -0.288 17832 1472 1 4 . 1 1 58 58 ILE N N 55 122.683 122.683 122.767 -0.084 17832 1473 1 4 . 1 1 58 58 ILE HA H 55 4.117 4.117 4.229 -0.112 17832 1474 1 4 . 1 1 58 58 ILE C C 55 173.034 173.034 175.489 -2.455 17832 1475 1 4 . 1 1 58 58 ILE CA C 55 58.378 58.378 60.352 -1.974 17832 1476 1 4 . 1 1 58 58 ILE CB C 55 36.113 36.113 40.252 -4.139 17832 1477 1 4 . 1 1 58 58 ILE H H 55 8.258 8.258 7.746 0.512 17832 1478 1 4 . 1 1 59 59 ASP N N 56 123.975 123.975 126.893 -2.918 17832 1479 1 4 . 1 1 59 59 ASP HA H 56 4.581 4.581 4.653 -0.072 17832 1480 1 4 . 1 1 59 59 ASP C C 56 172.780 172.780 175.896 -3.116 17832 1481 1 4 . 1 1 59 59 ASP CA C 56 51.525 51.525 54.194 -2.669 17832 1482 1 4 . 1 1 59 59 ASP CB C 56 38.460 38.460 41.380 -2.920 17832 1483 1 4 . 1 1 59 59 ASP H H 56 8.364 8.364 8.415 -0.051 17832 1484 1 4 . 1 1 60 60 ASP N N 57 121.471 121.471 121.413 0.058 17832 1485 1 4 . 1 1 60 60 ASP HA H 57 4.563 4.563 4.725 -0.162 17832 1486 1 4 . 1 1 60 60 ASP C C 57 173.851 173.851 175.630 -1.779 17832 1487 1 4 . 1 1 60 60 ASP CA C 57 51.586 51.586 54.341 -2.755 17832 1488 1 4 . 1 1 60 60 ASP CB C 57 38.468 38.468 41.804 -3.336 17832 1489 1 4 . 1 1 60 60 ASP H H 57 8.393 8.393 7.989 0.404 17832 1490 1 4 . 1 1 61 61 SER N N 58 116.207 116.207 117.798 -1.591 17832 1491 1 4 . 1 1 61 61 SER C C 58 172.389 172.389 175.871 -3.482 17832 1492 1 4 . 1 1 61 61 SER CA C 58 56.129 56.129 59.091 -2.962 17832 1493 1 4 . 1 1 61 61 SER CB C 58 60.945 60.945 63.741 -2.796 17832 1494 1 4 . 1 1 61 61 SER H H 58 8.331 8.331 8.403 -0.072 17832 1495 1 4 . 1 1 62 62 SER N N 59 117.805 117.805 115.657 2.148 17832 1496 1 4 . 1 1 62 62 SER C C 59 171.778 171.778 174.748 -2.970 17832 1497 1 4 . 1 1 62 62 SER CA C 59 56.290 56.290 61.291 -5.001 17832 1498 1 4 . 1 1 62 62 SER CB C 59 60.930 60.930 62.928 -1.998 17832 1499 1 4 . 1 1 62 62 SER H H 59 8.334 8.334 8.753 -0.419 17832 1500 1 4 . 1 1 63 63 ASP N N 60 122.124 122.124 118.434 3.690 17832 1501 1 4 . 1 1 63 63 ASP HA H 60 4.512 4.512 4.186 0.326 17832 1502 1 4 . 1 1 63 63 ASP C C 60 173.550 173.550 177.462 -3.912 17832 1503 1 4 . 1 1 63 63 ASP CA C 60 51.916 51.916 56.903 -4.987 17832 1504 1 4 . 1 1 63 63 ASP CB C 60 38.264 38.264 39.982 -1.718 17832 1505 1 4 . 1 1 63 63 ASP H H 60 8.278 8.278 8.602 -0.324 17832 1506 1 4 . 1 1 64 64 LEU N N 61 121.450 121.450 116.675 4.775 17832 1507 1 4 . 1 1 64 64 LEU HA H 61 4.223 4.223 3.808 0.415 17832 1508 1 4 . 1 1 64 64 LEU C C 61 174.603 174.603 177.349 -2.746 17832 1509 1 4 . 1 1 64 64 LEU CA C 61 52.640 52.640 57.314 -4.674 17832 1510 1 4 . 1 1 64 64 LEU CB C 61 39.502 39.502 40.687 -1.185 17832 1511 1 4 . 1 1 64 64 LEU H H 61 7.931 7.931 8.190 -0.259 17832 1512 1 4 . 1 1 65 65 LEU N N 62 122.042 122.042 121.358 0.684 17832 1513 1 4 . 1 1 65 65 LEU HA H 62 4.273 4.273 4.235 0.038 17832 1514 1 4 . 1 1 65 65 LEU C C 62 174.372 174.372 177.300 -2.928 17832 1515 1 4 . 1 1 65 65 LEU CA C 62 52.339 52.339 56.409 -4.070 17832 1516 1 4 . 1 1 65 65 LEU CB C 62 39.426 39.426 42.626 -3.200 17832 1517 1 4 . 1 1 65 65 LEU H H 62 8.023 8.023 7.788 0.234 17832 1518 1 4 . 1 1 66 66 LYS N N 63 122.782 122.782 121.875 0.907 17832 1519 1 4 . 1 1 66 66 LYS HA H 63 4.349 4.349 4.714 -0.365 17832 1520 1 4 . 1 1 66 66 LYS C C 63 173.936 173.936 175.649 -1.713 17832 1521 1 4 . 1 1 66 66 LYS CA C 63 53.305 53.305 55.734 -2.429 17832 1522 1 4 . 1 1 66 66 LYS CB C 63 30.305 30.305 34.219 -3.914 17832 1523 1 4 . 1 1 66 66 LYS H H 63 8.145 8.145 8.677 -0.532 17832 1524 1 4 . 1 1 67 67 THR N N 64 115.478 115.478 114.251 1.227 17832 1525 1 4 . 1 1 67 67 THR HA H 64 4.298 4.298 4.598 -0.300 17832 1526 1 4 . 1 1 67 67 THR C C 64 171.473 171.473 173.293 -1.820 17832 1527 1 4 . 1 1 67 67 THR CA C 64 58.943 58.943 61.573 -2.630 17832 1528 1 4 . 1 1 67 67 THR CB C 64 67.038 67.038 69.736 -2.698 17832 1529 1 4 . 1 1 67 67 THR H H 64 8.196 8.196 7.998 0.198 17832 1530 1 4 . 1 1 68 68 ASP N N 65 122.013 122.013 123.619 -1.606 17832 1531 1 4 . 1 1 68 68 ASP C C 65 173.191 173.191 176.196 -3.005 17832 1532 1 4 . 1 1 68 68 ASP CA C 65 51.628 51.628 54.694 -3.067 17832 1533 1 4 . 1 1 68 68 ASP CB C 65 38.495 38.495 41.962 -3.467 17832 1534 1 4 . 1 1 68 68 ASP H H 65 8.307 8.307 8.619 -0.312 17832 1535 1 4 . 1 1 69 69 GLU N N 66 121.260 121.260 120.811 0.449 17832 1536 1 4 . 1 1 69 69 GLU HA H 66 4.235 4.235 4.584 -0.349 17832 1537 1 4 . 1 1 69 69 GLU C C 66 172.706 172.706 176.626 -3.920 17832 1538 1 4 . 1 1 69 69 GLU CA C 66 53.881 53.881 55.773 -1.892 17832 1539 1 4 . 1 1 69 69 GLU CB C 66 27.731 27.731 31.507 -3.776 17832 1540 1 4 . 1 1 69 69 GLU H H 66 8.216 8.216 8.131 0.085 17832 1541 1 5 . 1 1 3 3 MET C C 0 173.346 173.346 174.747 -1.401 17832 1542 1 5 . 1 1 3 3 MET CA C 0 52.930 52.930 54.925 -1.995 17832 1543 1 5 . 1 1 3 3 MET CB C 0 29.966 29.966 34.416 -4.450 17832 1544 1 5 . 1 1 4 4 MET N N 1 121.822 121.822 120.421 1.401 17832 1545 1 5 . 1 1 4 4 MET HA H 1 4.378 4.378 4.672 -0.294 17832 1546 1 5 . 1 1 4 4 MET C C 1 173.585 173.585 175.901 -2.316 17832 1547 1 5 . 1 1 4 4 MET CA C 1 52.943 52.943 55.411 -2.468 17832 1548 1 5 . 1 1 4 4 MET CB C 1 30.112 30.112 35.910 -5.798 17832 1549 1 5 . 1 1 4 4 MET H H 1 8.553 8.553 8.433 0.120 17832 1550 1 5 . 1 1 5 5 SER N N 2 117.291 117.291 118.204 -0.913 17832 1551 1 5 . 1 1 5 5 SER HA H 2 4.402 4.402 4.668 -0.266 17832 1552 1 5 . 1 1 5 5 SER C C 2 171.427 171.427 173.751 -2.324 17832 1553 1 5 . 1 1 5 5 SER CA C 2 55.920 55.920 58.404 -2.484 17832 1554 1 5 . 1 1 5 5 SER CB C 2 61.033 61.033 62.893 -1.860 17832 1555 1 5 . 1 1 5 5 SER H H 2 8.337 8.337 8.630 -0.293 17832 1556 1 5 . 1 1 6 6 LYS N N 3 121.932 121.932 126.793 -4.861 17832 1557 1 5 . 1 1 6 6 LYS HA H 3 4.282 4.282 4.725 -0.443 17832 1558 1 5 . 1 1 6 6 LYS C C 3 173.822 173.822 175.300 -1.478 17832 1559 1 5 . 1 1 6 6 LYS CA C 3 53.556 53.556 55.783 -2.227 17832 1560 1 5 . 1 1 6 6 LYS CB C 3 30.569 30.569 32.781 -2.212 17832 1561 1 5 . 1 1 6 6 LYS H H 3 8.216 8.216 8.278 -0.062 17832 1562 1 5 . 1 1 7 7 LEU N N 4 123.131 123.131 122.323 0.808 17832 1563 1 5 . 1 1 7 7 LEU HA H 4 4.310 4.310 4.466 -0.156 17832 1564 1 5 . 1 1 7 7 LEU C C 4 176.226 176.226 176.372 -0.146 17832 1565 1 5 . 1 1 7 7 LEU CA C 4 52.753 52.753 54.913 -2.160 17832 1566 1 5 . 1 1 7 7 LEU CB C 4 39.626 39.626 41.950 -2.324 17832 1567 1 5 . 1 1 7 7 LEU H H 4 8.301 8.301 8.714 -0.413 17832 1568 1 5 . 1 1 8 8 PHE N N 5 122.547 122.547 115.778 6.769 17832 1569 1 5 . 1 1 8 8 PHE HA H 5 4.313 4.313 4.890 -0.577 17832 1570 1 5 . 1 1 8 8 PHE CA C 5 56.963 56.963 58.142 -1.179 17832 1571 1 5 . 1 1 8 8 PHE CB C 5 35.205 35.205 38.042 -2.837 17832 1572 1 5 . 1 1 8 8 PHE H H 5 8.764 8.764 7.485 1.279 17832 1573 1 5 . 1 1 9 9 LEU HA H 6 3.079 3.079 4.016 -0.937 17832 1574 1 5 . 1 1 9 9 LEU C C 6 175.830 175.830 178.049 -2.219 17832 1575 1 5 . 1 1 9 9 LEU CA C 6 54.075 54.075 57.119 -3.044 17832 1576 1 5 . 1 1 9 9 LEU CB C 6 38.429 38.429 41.400 -2.971 17832 1577 1 5 . 1 1 10 10 ASP N N 7 116.164 116.164 116.954 -0.790 17832 1578 1 5 . 1 1 10 10 ASP HA H 7 4.294 4.294 4.388 -0.094 17832 1579 1 5 . 1 1 10 10 ASP C C 7 174.240 174.240 176.619 -2.379 17832 1580 1 5 . 1 1 10 10 ASP CA C 7 53.201 53.201 56.563 -3.362 17832 1581 1 5 . 1 1 10 10 ASP CB C 7 37.826 37.826 40.743 -2.917 17832 1582 1 5 . 1 1 10 10 ASP H H 7 7.488 7.488 7.967 -0.479 17832 1583 1 5 . 1 1 11 11 GLU N N 8 116.711 116.711 118.709 -1.998 17832 1584 1 5 . 1 1 11 11 GLU HA H 8 4.296 4.296 4.394 -0.098 17832 1585 1 5 . 1 1 11 11 GLU C C 8 173.322 173.322 175.458 -2.136 17832 1586 1 5 . 1 1 11 11 GLU CA C 8 53.231 53.231 55.916 -2.685 17832 1587 1 5 . 1 1 11 11 GLU CB C 8 27.333 27.333 29.410 -2.077 17832 1588 1 5 . 1 1 11 11 GLU H H 8 7.496 7.496 7.769 -0.273 17832 1589 1 5 . 1 1 12 12 LEU N N 9 117.751 117.751 120.470 -2.719 17832 1590 1 5 . 1 1 12 12 LEU HA H 9 4.313 4.313 4.735 -0.422 17832 1591 1 5 . 1 1 12 12 LEU C C 9 171.541 171.541 174.445 -2.904 17832 1592 1 5 . 1 1 12 12 LEU CA C 9 49.264 49.264 51.566 -2.302 17832 1593 1 5 . 1 1 12 12 LEU CB C 9 38.581 38.581 44.243 -5.662 17832 1594 1 5 . 1 1 12 12 LEU H H 9 6.803 6.803 7.400 -0.597 17832 1595 1 5 . 1 1 13 13 PRO HA H 10 4.311 4.311 4.435 -0.124 17832 1596 1 5 . 1 1 13 13 PRO C C 10 174.746 174.746 176.939 -2.193 17832 1597 1 5 . 1 1 13 13 PRO CA C 10 60.083 60.083 62.980 -2.897 17832 1598 1 5 . 1 1 13 13 PRO CB C 10 29.131 29.131 32.625 -3.494 17832 1599 1 5 . 1 1 14 14 GLU N N 11 125.693 125.693 120.497 5.196 17832 1600 1 5 . 1 1 14 14 GLU HA H 11 3.854 3.854 4.074 -0.220 17832 1601 1 5 . 1 1 14 14 GLU C C 11 175.180 175.180 178.704 -3.524 17832 1602 1 5 . 1 1 14 14 GLU CA C 11 57.035 57.035 58.901 -1.866 17832 1603 1 5 . 1 1 14 14 GLU CB C 11 26.761 26.761 29.773 -3.011 17832 1604 1 5 . 1 1 14 14 GLU H H 11 8.777 8.777 8.835 -0.058 17832 1605 1 5 . 1 1 15 15 SER N N 12 111.734 111.734 115.811 -4.077 17832 1606 1 5 . 1 1 15 15 SER HA H 12 3.884 3.884 4.242 -0.358 17832 1607 1 5 . 1 1 15 15 SER C C 12 173.687 173.687 176.372 -2.685 17832 1608 1 5 . 1 1 15 15 SER CA C 12 58.230 58.230 61.147 -2.917 17832 1609 1 5 . 1 1 15 15 SER CB C 12 58.977 58.977 62.919 -3.942 17832 1610 1 5 . 1 1 15 15 SER H H 12 8.563 8.563 8.168 0.395 17832 1611 1 5 . 1 1 16 16 LEU N N 13 122.925 122.925 120.755 2.170 17832 1612 1 5 . 1 1 16 16 LEU HA H 13 4.081 4.081 4.067 0.014 17832 1613 1 5 . 1 1 16 16 LEU C C 13 175.385 175.385 178.334 -2.949 17832 1614 1 5 . 1 1 16 16 LEU CA C 13 54.057 54.057 57.251 -3.194 17832 1615 1 5 . 1 1 16 16 LEU CB C 13 39.498 39.498 41.983 -2.485 17832 1616 1 5 . 1 1 16 16 LEU H H 13 6.828 6.828 8.067 -1.239 17832 1617 1 5 . 1 1 17 17 SER N N 14 114.839 114.839 115.157 -0.318 17832 1618 1 5 . 1 1 17 17 SER HA H 14 3.585 3.585 4.036 -0.451 17832 1619 1 5 . 1 1 17 17 SER C C 14 175.435 175.435 176.926 -1.491 17832 1620 1 5 . 1 1 17 17 SER CA C 14 58.835 58.835 61.590 -2.755 17832 1621 1 5 . 1 1 17 17 SER CB C 14 59.345 59.345 62.706 -3.361 17832 1622 1 5 . 1 1 17 17 SER H H 14 8.266 8.266 7.812 0.454 17832 1623 1 5 . 1 1 18 18 ARG N N 15 121.474 121.474 120.884 0.590 17832 1624 1 5 . 1 1 18 18 ARG HA H 15 3.897 3.897 4.098 -0.201 17832 1625 1 5 . 1 1 18 18 ARG C C 15 176.749 176.749 178.544 -1.795 17832 1626 1 5 . 1 1 18 18 ARG CA C 15 56.827 56.827 59.431 -2.604 17832 1627 1 5 . 1 1 18 18 ARG CB C 15 27.154 27.154 30.169 -3.015 17832 1628 1 5 . 1 1 18 18 ARG H H 15 8.385 8.385 7.707 0.678 17832 1629 1 5 . 1 1 19 19 LYS N N 16 119.494 119.494 119.820 -0.326 17832 1630 1 5 . 1 1 19 19 LYS HA H 16 3.947 3.947 4.144 -0.197 17832 1631 1 5 . 1 1 19 19 LYS C C 16 177.319 177.319 179.397 -2.078 17832 1632 1 5 . 1 1 19 19 LYS CA C 16 57.412 57.412 59.094 -1.682 17832 1633 1 5 . 1 1 19 19 LYS CB C 16 30.432 30.432 32.474 -2.042 17832 1634 1 5 . 1 1 19 19 LYS H H 16 7.269 7.269 7.580 -0.311 17832 1635 1 5 . 1 1 20 20 ILE N N 17 120.972 120.972 120.302 0.670 17832 1636 1 5 . 1 1 20 20 ILE HA H 17 2.813 2.813 3.715 -0.902 17832 1637 1 5 . 1 1 20 20 ILE C C 17 175.324 175.324 177.746 -2.422 17832 1638 1 5 . 1 1 20 20 ILE CA C 17 63.012 63.012 65.261 -2.249 17832 1639 1 5 . 1 1 20 20 ILE CB C 17 34.710 34.710 37.678 -2.968 17832 1640 1 5 . 1 1 20 20 ILE H H 17 7.993 7.993 8.798 -0.805 17832 1641 1 5 . 1 1 21 21 GLY N N 18 106.894 106.894 105.885 1.009 17832 1642 1 5 . 1 1 21 21 GLY C C 18 173.161 173.161 175.635 -2.474 17832 1643 1 5 . 1 1 21 21 GLY CA C 18 44.450 44.450 47.511 -3.061 17832 1644 1 5 . 1 1 21 21 GLY H H 18 8.259 8.259 8.282 -0.023 17832 1645 1 5 . 1 1 22 22 THR N N 19 113.696 113.696 115.719 -2.023 17832 1646 1 5 . 1 1 22 22 THR HA H 19 3.946 3.946 4.215 -0.269 17832 1647 1 5 . 1 1 22 22 THR C C 19 173.081 173.081 175.978 -2.897 17832 1648 1 5 . 1 1 22 22 THR CA C 19 62.984 62.984 64.621 -1.637 17832 1649 1 5 . 1 1 22 22 THR CB C 19 66.403 66.403 68.962 -2.559 17832 1650 1 5 . 1 1 22 22 THR H H 19 7.502 7.502 7.312 0.190 17832 1651 1 5 . 1 1 23 23 VAL N N 20 123.120 123.120 120.438 2.682 17832 1652 1 5 . 1 1 23 23 VAL HA H 20 3.649 3.649 3.982 -0.333 17832 1653 1 5 . 1 1 23 23 VAL C C 20 174.858 174.858 177.559 -2.701 17832 1654 1 5 . 1 1 23 23 VAL CA C 20 62.761 62.761 64.623 -1.861 17832 1655 1 5 . 1 1 23 23 VAL CB C 20 29.222 29.222 31.599 -2.377 17832 1656 1 5 . 1 1 23 23 VAL H H 20 7.168 7.168 7.601 -0.433 17832 1657 1 5 . 1 1 24 24 VAL N N 21 119.729 119.729 121.025 -1.296 17832 1658 1 5 . 1 1 24 24 VAL HA H 21 3.541 3.541 3.650 -0.109 17832 1659 1 5 . 1 1 24 24 VAL C C 21 174.410 174.410 178.364 -3.954 17832 1660 1 5 . 1 1 24 24 VAL CA C 21 61.966 61.966 66.505 -4.539 17832 1661 1 5 . 1 1 24 24 VAL CB C 21 29.360 29.360 31.251 -1.891 17832 1662 1 5 . 1 1 24 24 VAL H H 21 8.129 8.129 8.639 -0.510 17832 1663 1 5 . 1 1 25 25 ARG N N 22 116.239 116.239 119.454 -3.215 17832 1664 1 5 . 1 1 25 25 ARG HA H 22 3.952 3.952 4.019 -0.067 17832 1665 1 5 . 1 1 25 25 ARG C C 22 174.899 174.899 177.750 -2.851 17832 1666 1 5 . 1 1 25 25 ARG CA C 22 56.097 56.097 59.069 -2.972 17832 1667 1 5 . 1 1 25 25 ARG CB C 22 27.473 27.473 30.006 -2.534 17832 1668 1 5 . 1 1 25 25 ARG H H 22 7.633 7.633 8.051 -0.418 17832 1669 1 5 . 1 1 26 26 VAL N N 23 115.006 115.006 117.498 -2.492 17832 1670 1 5 . 1 1 26 26 VAL HA H 23 3.995 3.995 3.958 0.037 17832 1671 1 5 . 1 1 26 26 VAL C C 23 173.187 173.187 176.228 -3.041 17832 1672 1 5 . 1 1 26 26 VAL CA C 23 61.107 61.107 65.044 -3.937 17832 1673 1 5 . 1 1 26 26 VAL CB C 23 29.977 29.977 32.676 -2.699 17832 1674 1 5 . 1 1 26 26 VAL H H 23 6.886 6.886 7.918 -1.032 17832 1675 1 5 . 1 1 27 27 LEU N N 24 120.940 120.940 118.591 2.349 17832 1676 1 5 . 1 1 27 27 LEU HA H 24 4.930 4.930 4.899 0.031 17832 1677 1 5 . 1 1 27 27 LEU C C 24 171.363 171.363 174.571 -3.208 17832 1678 1 5 . 1 1 27 27 LEU CA C 24 48.752 48.752 52.572 -3.820 17832 1679 1 5 . 1 1 27 27 LEU CB C 24 40.669 40.669 43.964 -3.295 17832 1680 1 5 . 1 1 27 27 LEU H H 24 8.338 8.338 7.684 0.654 17832 1681 1 5 . 1 1 28 28 PRO HA H 25 4.767 4.767 4.428 0.339 17832 1682 1 5 . 1 1 28 28 PRO C C 25 176.742 176.742 177.368 -0.626 17832 1683 1 5 . 1 1 28 28 PRO CA C 25 63.453 63.453 64.829 -1.377 17832 1684 1 5 . 1 1 28 28 PRO CB C 25 29.004 29.004 31.653 -2.649 17832 1685 1 5 . 1 1 29 29 SER N N 26 111.726 111.726 112.801 -1.075 17832 1686 1 5 . 1 1 29 29 SER HA H 26 4.422 4.422 4.349 0.073 17832 1687 1 5 . 1 1 29 29 SER C C 26 172.811 172.811 175.928 -3.117 17832 1688 1 5 . 1 1 29 29 SER CA C 26 57.331 57.331 58.820 -1.489 17832 1689 1 5 . 1 1 29 29 SER CB C 26 59.552 59.552 62.859 -3.307 17832 1690 1 5 . 1 1 29 29 SER H H 26 8.279 8.279 8.251 0.028 17832 1691 1 5 . 1 1 30 30 SER N N 27 116.503 116.503 119.464 -2.961 17832 1692 1 5 . 1 1 30 30 SER HA H 27 4.103 4.103 4.089 0.014 17832 1693 1 5 . 1 1 30 30 SER C C 27 174.324 174.324 176.491 -2.167 17832 1694 1 5 . 1 1 30 30 SER CA C 27 58.661 58.661 60.535 -1.873 17832 1695 1 5 . 1 1 30 30 SER CB C 27 61.593 61.593 63.047 -1.454 17832 1696 1 5 . 1 1 30 30 SER H H 27 8.642 8.642 7.805 0.837 17832 1697 1 5 . 1 1 31 31 LEU N N 28 126.322 126.322 122.314 4.008 17832 1698 1 5 . 1 1 31 31 LEU HA H 28 4.281 4.281 4.252 0.029 17832 1699 1 5 . 1 1 31 31 LEU C C 28 175.385 175.385 177.522 -2.137 17832 1700 1 5 . 1 1 31 31 LEU CA C 28 56.992 56.992 57.784 -0.792 17832 1701 1 5 . 1 1 31 31 LEU CB C 28 38.241 38.241 41.933 -3.692 17832 1702 1 5 . 1 1 31 31 LEU H H 28 7.634 7.634 7.819 -0.185 17832 1703 1 5 . 1 1 32 32 GLU N N 29 114.812 114.812 118.705 -3.893 17832 1704 1 5 . 1 1 32 32 GLU HA H 29 4.230 4.230 3.821 0.409 17832 1705 1 5 . 1 1 32 32 GLU C C 29 175.711 175.711 178.611 -2.900 17832 1706 1 5 . 1 1 32 32 GLU CA C 29 56.205 56.205 59.083 -2.878 17832 1707 1 5 . 1 1 32 32 GLU CB C 29 26.903 26.903 29.607 -2.704 17832 1708 1 5 . 1 1 32 32 GLU H H 29 8.283 8.283 7.631 0.652 17832 1709 1 5 . 1 1 33 33 ILE N N 30 121.972 121.972 119.450 2.522 17832 1710 1 5 . 1 1 33 33 ILE HA H 30 3.773 3.773 3.601 0.172 17832 1711 1 5 . 1 1 33 33 ILE C C 30 175.177 175.177 177.787 -2.610 17832 1712 1 5 . 1 1 33 33 ILE CA C 30 62.116 62.116 64.598 -2.482 17832 1713 1 5 . 1 1 33 33 ILE CB C 30 35.018 35.018 37.716 -2.698 17832 1714 1 5 . 1 1 33 33 ILE H H 30 7.477 7.477 7.716 -0.239 17832 1715 1 5 . 1 1 34 34 PHE N N 31 117.727 117.727 118.128 -0.401 17832 1716 1 5 . 1 1 34 34 PHE HA H 31 4.208 4.208 4.100 0.108 17832 1717 1 5 . 1 1 34 34 PHE C C 31 174.731 174.731 177.894 -3.163 17832 1718 1 5 . 1 1 34 34 PHE CA C 31 61.035 61.035 60.560 0.475 17832 1719 1 5 . 1 1 34 34 PHE CB C 31 36.224 36.224 37.464 -1.240 17832 1720 1 5 . 1 1 34 34 PHE H H 31 8.137 8.137 6.976 1.161 17832 1721 1 5 . 1 1 35 35 GLU N N 32 118.271 118.271 119.827 -1.556 17832 1722 1 5 . 1 1 35 35 GLU HA H 32 2.721 2.721 3.973 -1.252 17832 1723 1 5 . 1 1 35 35 GLU C C 32 174.785 174.785 178.875 -4.090 17832 1724 1 5 . 1 1 35 35 GLU CA C 32 57.304 57.304 60.086 -2.782 17832 1725 1 5 . 1 1 35 35 GLU CB C 32 26.997 26.997 28.823 -1.826 17832 1726 1 5 . 1 1 35 35 GLU H H 32 8.249 8.249 7.981 0.268 17832 1727 1 5 . 1 1 36 36 GLU N N 33 119.678 119.678 119.835 -0.157 17832 1728 1 5 . 1 1 36 36 GLU HA H 33 3.887 3.887 4.063 -0.176 17832 1729 1 5 . 1 1 36 36 GLU C C 33 176.760 176.760 179.242 -2.482 17832 1730 1 5 . 1 1 36 36 GLU CA C 33 57.241 57.241 59.295 -2.054 17832 1731 1 5 . 1 1 36 36 GLU CB C 33 26.806 26.806 29.558 -2.752 17832 1732 1 5 . 1 1 36 36 GLU H H 33 7.971 7.971 7.493 0.478 17832 1733 1 5 . 1 1 37 37 LEU N N 34 120.144 120.144 120.388 -0.244 17832 1734 1 5 . 1 1 37 37 LEU HA H 34 4.280 4.280 4.005 0.275 17832 1735 1 5 . 1 1 37 37 LEU C C 34 174.327 174.327 179.115 -4.788 17832 1736 1 5 . 1 1 37 37 LEU CA C 34 55.502 55.502 57.881 -2.379 17832 1737 1 5 . 1 1 37 37 LEU CB C 34 39.354 39.354 42.175 -2.821 17832 1738 1 5 . 1 1 37 37 LEU H H 34 8.278 8.278 7.666 0.612 17832 1739 1 5 . 1 1 38 38 TYR N N 35 119.703 119.703 119.870 -0.167 17832 1740 1 5 . 1 1 38 38 TYR HA H 35 4.070 4.070 4.143 -0.073 17832 1741 1 5 . 1 1 38 38 TYR C C 35 173.298 173.298 177.332 -4.034 17832 1742 1 5 . 1 1 38 38 TYR CA C 35 59.098 59.098 60.867 -1.769 17832 1743 1 5 . 1 1 38 38 TYR CB C 35 36.534 36.534 38.131 -1.597 17832 1744 1 5 . 1 1 38 38 TYR H H 35 8.417 8.417 8.817 -0.400 17832 1745 1 5 . 1 1 39 39 LYS N N 36 115.392 115.392 118.290 -2.898 17832 1746 1 5 . 1 1 39 39 LYS HA H 36 3.621 3.621 3.626 -0.005 17832 1747 1 5 . 1 1 39 39 LYS C C 36 176.456 176.456 178.496 -2.040 17832 1748 1 5 . 1 1 39 39 LYS CA C 36 57.011 57.011 57.805 -0.794 17832 1749 1 5 . 1 1 39 39 LYS CB C 36 29.694 29.694 32.308 -2.614 17832 1750 1 5 . 1 1 39 39 LYS H H 36 8.441 8.441 8.012 0.429 17832 1751 1 5 . 1 1 40 40 TYR N N 37 120.325 120.325 120.583 -0.258 17832 1752 1 5 . 1 1 40 40 TYR HA H 37 4.078 4.078 4.076 0.002 17832 1753 1 5 . 1 1 40 40 TYR C C 37 175.043 175.043 177.012 -1.969 17832 1754 1 5 . 1 1 40 40 TYR CA C 37 58.971 58.971 61.356 -2.385 17832 1755 1 5 . 1 1 40 40 TYR CB C 37 35.875 35.875 38.635 -2.760 17832 1756 1 5 . 1 1 40 40 TYR H H 37 8.344 8.344 8.232 0.112 17832 1757 1 5 . 1 1 41 41 ALA N N 38 121.802 121.802 121.197 0.605 17832 1758 1 5 . 1 1 41 41 ALA HA H 38 3.746 3.746 4.100 -0.354 17832 1759 1 5 . 1 1 41 41 ALA C C 38 175.962 175.962 179.623 -3.661 17832 1760 1 5 . 1 1 41 41 ALA CA C 38 51.780 51.780 55.069 -3.288 17832 1761 1 5 . 1 1 41 41 ALA CB C 38 17.381 17.381 17.900 -0.519 17832 1762 1 5 . 1 1 41 41 ALA H H 38 8.291 8.291 8.227 0.064 17832 1763 1 5 . 1 1 42 42 LEU N N 39 116.563 116.563 116.105 0.458 17832 1764 1 5 . 1 1 42 42 LEU HA H 39 3.820 3.820 4.031 -0.211 17832 1765 1 5 . 1 1 42 42 LEU C C 39 176.020 176.020 178.697 -2.677 17832 1766 1 5 . 1 1 42 42 LEU CA C 39 54.011 54.011 56.850 -2.839 17832 1767 1 5 . 1 1 42 42 LEU CB C 39 39.796 39.796 41.529 -1.733 17832 1768 1 5 . 1 1 42 42 LEU H H 39 7.865 7.865 7.312 0.553 17832 1769 1 5 . 1 1 43 43 ASN N N 40 115.561 115.561 117.273 -1.712 17832 1770 1 5 . 1 1 43 43 ASN HA H 40 4.436 4.436 4.487 -0.051 17832 1771 1 5 . 1 1 43 43 ASN C C 40 173.390 173.390 177.126 -3.736 17832 1772 1 5 . 1 1 43 43 ASN CA C 40 51.492 51.492 55.293 -3.801 17832 1773 1 5 . 1 1 43 43 ASN CB C 40 36.401 36.401 38.842 -2.441 17832 1774 1 5 . 1 1 43 43 ASN H H 40 7.467 7.467 7.873 -0.406 17832 1775 1 5 . 1 1 44 44 GLU N N 41 120.609 120.609 118.540 2.069 17832 1776 1 5 . 1 1 44 44 GLU HA H 41 3.986 3.986 4.040 -0.054 17832 1777 1 5 . 1 1 44 44 GLU C C 41 174.161 174.161 178.166 -4.005 17832 1778 1 5 . 1 1 44 44 GLU CA C 41 54.775 54.775 58.239 -3.464 17832 1779 1 5 . 1 1 44 44 GLU CB C 41 27.094 27.094 28.912 -1.818 17832 1780 1 5 . 1 1 44 44 GLU H H 41 7.817 7.817 7.562 0.255 17832 1781 1 5 . 1 1 45 45 ASN N N 42 118.453 118.453 117.575 0.878 17832 1782 1 5 . 1 1 45 45 ASN HA H 42 4.618 4.618 4.576 0.042 17832 1783 1 5 . 1 1 45 45 ASN C C 42 172.912 172.912 175.312 -2.400 17832 1784 1 5 . 1 1 45 45 ASN CA C 42 50.988 50.988 54.560 -3.572 17832 1785 1 5 . 1 1 45 45 ASN CB C 42 36.267 36.267 39.072 -2.804 17832 1786 1 5 . 1 1 45 45 ASN H H 42 8.087 8.087 8.147 -0.060 17832 1787 1 5 . 1 1 46 46 SER N N 43 115.581 115.581 112.699 2.882 17832 1788 1 5 . 1 1 46 46 SER HA H 43 4.292 4.292 4.630 -0.338 17832 1789 1 5 . 1 1 46 46 SER C C 43 172.136 172.136 172.249 -0.113 17832 1790 1 5 . 1 1 46 46 SER CA C 43 56.202 56.202 57.170 -0.969 17832 1791 1 5 . 1 1 46 46 SER CB C 43 60.909 60.909 66.243 -5.333 17832 1792 1 5 . 1 1 46 46 SER H H 43 8.062 8.062 7.508 0.554 17832 1793 1 5 . 1 1 47 47 ASN N N 44 120.517 120.517 117.747 2.770 17832 1794 1 5 . 1 1 47 47 ASN HA H 44 4.617 4.617 4.836 -0.219 17832 1795 1 5 . 1 1 47 47 ASN C C 44 172.545 172.545 173.884 -1.339 17832 1796 1 5 . 1 1 47 47 ASN CA C 44 51.174 51.174 53.482 -2.308 17832 1797 1 5 . 1 1 47 47 ASN CB C 44 36.208 36.208 39.901 -3.693 17832 1798 1 5 . 1 1 47 47 ASN H H 44 8.329 8.329 8.434 -0.105 17832 1799 1 5 . 1 1 48 48 ASP N N 45 120.294 120.294 123.403 -3.109 17832 1800 1 5 . 1 1 48 48 ASP HA H 45 4.500 4.500 4.720 -0.220 17832 1801 1 5 . 1 1 48 48 ASP C C 45 173.835 173.835 174.908 -1.073 17832 1802 1 5 . 1 1 48 48 ASP CA C 45 52.030 52.030 54.246 -2.216 17832 1803 1 5 . 1 1 48 48 ASP CB C 45 38.326 38.326 41.617 -3.291 17832 1804 1 5 . 1 1 48 48 ASP H H 45 8.220 8.220 8.636 -0.416 17832 1805 1 5 . 1 1 49 49 ARG N N 46 121.139 121.139 121.175 -0.036 17832 1806 1 5 . 1 1 49 49 ARG HA H 46 4.274 4.274 4.625 -0.351 17832 1807 1 5 . 1 1 49 49 ARG C C 46 174.032 174.032 175.624 -1.592 17832 1808 1 5 . 1 1 49 49 ARG CA C 46 53.425 53.425 55.786 -2.361 17832 1809 1 5 . 1 1 49 49 ARG CB C 46 27.615 27.615 30.843 -3.228 17832 1810 1 5 . 1 1 49 49 ARG H H 46 8.180 8.180 7.950 0.230 17832 1811 1 5 . 1 1 50 50 SER N N 47 116.289 116.289 118.670 -2.381 17832 1812 1 5 . 1 1 50 50 SER HA H 47 4.269 4.269 4.552 -0.283 17832 1813 1 5 . 1 1 50 50 SER C C 47 172.337 172.337 173.867 -1.530 17832 1814 1 5 . 1 1 50 50 SER CA C 47 56.379 56.379 58.841 -2.462 17832 1815 1 5 . 1 1 50 50 SER CB C 47 60.970 60.970 63.907 -2.937 17832 1816 1 5 . 1 1 50 50 SER H H 47 8.236 8.236 8.502 -0.266 17832 1817 1 5 . 1 1 51 51 GLU N N 48 122.019 122.019 123.731 -1.712 17832 1818 1 5 . 1 1 51 51 GLU HA H 48 4.134 4.134 4.442 -0.308 17832 1819 1 5 . 1 1 51 51 GLU C C 48 174.002 174.002 175.773 -1.771 17832 1820 1 5 . 1 1 51 51 GLU CA C 48 54.285 54.285 56.029 -1.744 17832 1821 1 5 . 1 1 51 51 GLU CB C 48 27.192 27.192 30.869 -3.678 17832 1822 1 5 . 1 1 51 51 GLU H H 48 8.423 8.423 8.347 0.076 17832 1823 1 5 . 1 1 52 52 HIS N N 49 119.075 119.075 118.727 0.348 17832 1824 1 5 . 1 1 52 52 HIS HA H 49 4.486 4.486 4.484 0.002 17832 1825 1 5 . 1 1 52 52 HIS C C 49 172.663 172.663 175.286 -2.623 17832 1826 1 5 . 1 1 52 52 HIS CA C 49 53.775 53.775 56.248 -2.473 17832 1827 1 5 . 1 1 52 52 HIS CB C 49 27.714 27.714 30.631 -2.917 17832 1828 1 5 . 1 1 52 52 HIS H H 49 8.117 8.117 8.507 -0.390 17832 1829 1 5 . 1 1 53 53 HIS N N 50 119.483 119.483 118.008 1.475 17832 1830 1 5 . 1 1 53 53 HIS HA H 50 4.538 4.538 4.730 -0.192 17832 1831 1 5 . 1 1 53 53 HIS C C 50 172.355 172.355 174.126 -1.771 17832 1832 1 5 . 1 1 53 53 HIS CA C 50 53.433 53.433 54.791 -1.358 17832 1833 1 5 . 1 1 53 53 HIS CB C 50 27.694 27.694 29.168 -1.474 17832 1834 1 5 . 1 1 53 53 HIS H H 50 8.068 8.068 8.074 -0.006 17832 1835 1 5 . 1 1 54 54 LYS N N 51 122.136 122.136 118.831 3.305 17832 1836 1 5 . 1 1 54 54 LYS HA H 51 4.215 4.215 4.519 -0.304 17832 1837 1 5 . 1 1 54 54 LYS C C 51 173.474 173.474 176.153 -2.679 17832 1838 1 5 . 1 1 54 54 LYS CA C 51 53.445 53.445 56.097 -2.652 17832 1839 1 5 . 1 1 54 54 LYS CB C 51 30.329 30.329 33.373 -3.044 17832 1840 1 5 . 1 1 54 54 LYS H H 51 8.121 8.121 7.993 0.128 17832 1841 1 5 . 1 1 55 55 LYS N N 52 124.022 124.022 121.128 2.894 17832 1842 1 5 . 1 1 55 55 LYS HA H 52 4.508 4.508 4.707 -0.199 17832 1843 1 5 . 1 1 55 55 LYS C C 52 171.685 171.685 174.135 -2.450 17832 1844 1 5 . 1 1 55 55 LYS CA C 52 51.516 51.516 53.804 -2.288 17832 1845 1 5 . 1 1 55 55 LYS CB C 52 29.818 29.818 34.005 -4.187 17832 1846 1 5 . 1 1 55 55 LYS H H 52 8.262 8.262 8.380 -0.118 17832 1847 1 5 . 1 1 56 56 PRO HA H 53 4.340 4.340 4.516 -0.176 17832 1848 1 5 . 1 1 56 56 PRO C C 53 173.830 173.830 176.400 -2.570 17832 1849 1 5 . 1 1 56 56 PRO CA C 53 60.496 60.496 62.953 -2.457 17832 1850 1 5 . 1 1 56 56 PRO CB C 53 29.444 29.444 31.772 -2.328 17832 1851 1 5 . 1 1 57 57 ARG N N 54 121.870 121.870 123.804 -1.934 17832 1852 1 5 . 1 1 57 57 ARG HA H 54 4.279 4.279 4.570 -0.291 17832 1853 1 5 . 1 1 57 57 ARG C C 54 173.560 173.560 175.746 -2.186 17832 1854 1 5 . 1 1 57 57 ARG CA C 54 53.172 53.172 56.003 -2.831 17832 1855 1 5 . 1 1 57 57 ARG CB C 54 28.273 28.273 30.995 -2.722 17832 1856 1 5 . 1 1 57 57 ARG H H 54 8.396 8.396 8.464 -0.068 17832 1857 1 5 . 1 1 58 58 ILE N N 55 122.683 122.683 122.705 -0.022 17832 1858 1 5 . 1 1 58 58 ILE HA H 55 4.117 4.117 4.159 -0.042 17832 1859 1 5 . 1 1 58 58 ILE C C 55 173.034 173.034 175.330 -2.296 17832 1860 1 5 . 1 1 58 58 ILE CA C 55 58.378 58.378 61.170 -2.792 17832 1861 1 5 . 1 1 58 58 ILE CB C 55 36.113 36.113 38.676 -2.563 17832 1862 1 5 . 1 1 58 58 ILE H H 55 8.258 8.258 8.672 -0.414 17832 1863 1 5 . 1 1 59 59 ASP N N 56 123.975 123.975 120.262 3.713 17832 1864 1 5 . 1 1 59 59 ASP HA H 56 4.581 4.581 4.484 0.097 17832 1865 1 5 . 1 1 59 59 ASP C C 56 172.780 172.780 175.533 -2.753 17832 1866 1 5 . 1 1 59 59 ASP CA C 56 51.525 51.525 54.678 -3.153 17832 1867 1 5 . 1 1 59 59 ASP CB C 56 38.460 38.460 41.700 -3.240 17832 1868 1 5 . 1 1 59 59 ASP H H 56 8.364 8.364 8.161 0.203 17832 1869 1 5 . 1 1 60 60 ASP N N 57 121.471 121.471 121.785 -0.314 17832 1870 1 5 . 1 1 60 60 ASP HA H 57 4.563 4.563 4.520 0.043 17832 1871 1 5 . 1 1 60 60 ASP C C 57 173.851 173.851 176.555 -2.704 17832 1872 1 5 . 1 1 60 60 ASP CA C 57 51.586 51.586 55.393 -3.807 17832 1873 1 5 . 1 1 60 60 ASP CB C 57 38.468 38.468 41.307 -2.839 17832 1874 1 5 . 1 1 60 60 ASP H H 57 8.393 8.393 8.606 -0.213 17832 1875 1 5 . 1 1 61 61 SER N N 58 116.207 116.207 114.989 1.218 17832 1876 1 5 . 1 1 61 61 SER C C 58 172.389 172.389 173.711 -1.322 17832 1877 1 5 . 1 1 61 61 SER CA C 58 56.129 56.129 58.077 -1.948 17832 1878 1 5 . 1 1 61 61 SER CB C 58 60.945 60.945 63.258 -2.312 17832 1879 1 5 . 1 1 61 61 SER H H 58 8.331 8.331 8.183 0.148 17832 1880 1 5 . 1 1 62 62 SER N N 59 117.805 117.805 119.511 -1.706 17832 1881 1 5 . 1 1 62 62 SER C C 59 171.778 171.778 173.765 -1.987 17832 1882 1 5 . 1 1 62 62 SER CA C 59 56.290 56.290 57.922 -1.632 17832 1883 1 5 . 1 1 62 62 SER CB C 59 60.930 60.930 63.793 -2.863 17832 1884 1 5 . 1 1 62 62 SER H H 59 8.334 8.334 8.449 -0.115 17832 1885 1 5 . 1 1 63 63 ASP N N 60 122.124 122.124 124.288 -2.164 17832 1886 1 5 . 1 1 63 63 ASP HA H 60 4.512 4.512 4.940 -0.428 17832 1887 1 5 . 1 1 63 63 ASP C C 60 173.550 173.550 175.506 -1.956 17832 1888 1 5 . 1 1 63 63 ASP CA C 60 51.916 51.916 53.733 -1.817 17832 1889 1 5 . 1 1 63 63 ASP CB C 60 38.264 38.264 42.517 -4.253 17832 1890 1 5 . 1 1 63 63 ASP H H 60 8.278 8.278 8.576 -0.298 17832 1891 1 5 . 1 1 64 64 LEU N N 61 121.450 121.450 124.686 -3.236 17832 1892 1 5 . 1 1 64 64 LEU HA H 61 4.223 4.223 4.557 -0.334 17832 1893 1 5 . 1 1 64 64 LEU C C 61 174.603 174.603 176.371 -1.768 17832 1894 1 5 . 1 1 64 64 LEU CA C 61 52.640 52.640 54.935 -2.295 17832 1895 1 5 . 1 1 64 64 LEU CB C 61 39.502 39.502 42.916 -3.414 17832 1896 1 5 . 1 1 64 64 LEU H H 61 7.931 7.931 8.574 -0.643 17832 1897 1 5 . 1 1 65 65 LEU N N 62 122.042 122.042 118.958 3.084 17832 1898 1 5 . 1 1 65 65 LEU HA H 62 4.273 4.273 4.012 0.261 17832 1899 1 5 . 1 1 65 65 LEU C C 62 174.372 174.372 177.504 -3.132 17832 1900 1 5 . 1 1 65 65 LEU CA C 62 52.339 52.339 54.754 -2.415 17832 1901 1 5 . 1 1 65 65 LEU CB C 62 39.426 39.426 42.454 -3.028 17832 1902 1 5 . 1 1 65 65 LEU H H 62 8.023 8.023 7.993 0.030 17832 1903 1 5 . 1 1 66 66 LYS N N 63 122.782 122.782 119.024 3.758 17832 1904 1 5 . 1 1 66 66 LYS HA H 63 4.349 4.349 3.972 0.377 17832 1905 1 5 . 1 1 66 66 LYS C C 63 173.936 173.936 176.814 -2.878 17832 1906 1 5 . 1 1 66 66 LYS CA C 63 53.305 53.305 58.187 -4.882 17832 1907 1 5 . 1 1 66 66 LYS CB C 63 30.305 30.305 32.048 -1.743 17832 1908 1 5 . 1 1 66 66 LYS H H 63 8.145 8.145 8.848 -0.703 17832 1909 1 5 . 1 1 67 67 THR N N 64 115.478 115.478 114.728 0.750 17832 1910 1 5 . 1 1 67 67 THR HA H 64 4.298 4.298 3.927 0.371 17832 1911 1 5 . 1 1 67 67 THR C C 64 171.473 171.473 172.984 -1.511 17832 1912 1 5 . 1 1 67 67 THR CA C 64 58.943 58.943 63.715 -4.772 17832 1913 1 5 . 1 1 67 67 THR CB C 64 67.038 67.038 68.746 -1.708 17832 1914 1 5 . 1 1 67 67 THR H H 64 8.196 8.196 8.525 -0.329 17832 1915 1 5 . 1 1 68 68 ASP N N 65 122.013 122.013 120.601 1.412 17832 1916 1 5 . 1 1 68 68 ASP C C 65 173.191 173.191 175.155 -1.964 17832 1917 1 5 . 1 1 68 68 ASP CA C 65 51.628 51.628 53.687 -2.059 17832 1918 1 5 . 1 1 68 68 ASP CB C 65 38.495 38.495 41.740 -3.245 17832 1919 1 5 . 1 1 68 68 ASP H H 65 8.307 8.307 8.227 0.080 17832 1920 1 5 . 1 1 69 69 GLU N N 66 121.260 121.260 118.426 2.834 17832 1921 1 5 . 1 1 69 69 GLU HA H 66 4.235 4.235 3.981 0.254 17832 1922 1 5 . 1 1 69 69 GLU C C 66 172.706 172.706 174.741 -2.035 17832 1923 1 5 . 1 1 69 69 GLU CA C 66 53.881 53.881 57.553 -3.672 17832 1924 1 5 . 1 1 69 69 GLU CB C 66 27.731 27.731 27.870 -0.139 17832 1925 1 5 . 1 1 69 69 GLU H H 66 8.216 8.216 8.787 -0.571 17832 1926 1 6 . 1 1 3 3 MET C C 0 173.346 173.346 175.571 -2.225 17832 1927 1 6 . 1 1 3 3 MET CA C 0 52.930 52.930 55.225 -2.295 17832 1928 1 6 . 1 1 3 3 MET CB C 0 29.966 29.966 33.910 -3.944 17832 1929 1 6 . 1 1 4 4 MET N N 1 121.822 121.822 122.781 -0.959 17832 1930 1 6 . 1 1 4 4 MET HA H 1 4.378 4.378 4.809 -0.431 17832 1931 1 6 . 1 1 4 4 MET C C 1 173.585 173.585 174.729 -1.144 17832 1932 1 6 . 1 1 4 4 MET CA C 1 52.943 52.943 55.389 -2.446 17832 1933 1 6 . 1 1 4 4 MET CB C 1 30.112 30.112 32.868 -2.756 17832 1934 1 6 . 1 1 4 4 MET H H 1 8.553 8.553 8.457 0.096 17832 1935 1 6 . 1 1 5 5 SER N N 2 117.291 117.291 116.962 0.329 17832 1936 1 6 . 1 1 5 5 SER HA H 2 4.402 4.402 4.560 -0.158 17832 1937 1 6 . 1 1 5 5 SER C C 2 171.427 171.427 173.633 -2.206 17832 1938 1 6 . 1 1 5 5 SER CA C 2 55.920 55.920 57.920 -2.000 17832 1939 1 6 . 1 1 5 5 SER CB C 2 61.033 61.033 64.200 -3.167 17832 1940 1 6 . 1 1 5 5 SER H H 2 8.337 8.337 7.943 0.394 17832 1941 1 6 . 1 1 6 6 LYS N N 3 121.932 121.932 122.110 -0.178 17832 1942 1 6 . 1 1 6 6 LYS HA H 3 4.282 4.282 3.946 0.336 17832 1943 1 6 . 1 1 6 6 LYS C C 3 173.822 173.822 176.298 -2.476 17832 1944 1 6 . 1 1 6 6 LYS CA C 3 53.556 53.556 55.755 -2.199 17832 1945 1 6 . 1 1 6 6 LYS CB C 3 30.569 30.569 31.809 -1.240 17832 1946 1 6 . 1 1 6 6 LYS H H 3 8.216 8.216 8.480 -0.264 17832 1947 1 6 . 1 1 7 7 LEU N N 4 123.131 123.131 120.604 2.527 17832 1948 1 6 . 1 1 7 7 LEU HA H 4 4.310 4.310 4.017 0.293 17832 1949 1 6 . 1 1 7 7 LEU C C 4 176.226 176.226 177.478 -1.252 17832 1950 1 6 . 1 1 7 7 LEU CA C 4 52.753 52.753 57.219 -4.466 17832 1951 1 6 . 1 1 7 7 LEU CB C 4 39.626 39.626 41.970 -2.344 17832 1952 1 6 . 1 1 7 7 LEU H H 4 8.301 8.301 7.789 0.512 17832 1953 1 6 . 1 1 8 8 PHE N N 5 122.547 122.547 111.934 10.613 17832 1954 1 6 . 1 1 8 8 PHE HA H 5 4.313 4.313 4.823 -0.510 17832 1955 1 6 . 1 1 8 8 PHE CA C 5 56.963 56.963 57.161 -0.198 17832 1956 1 6 . 1 1 8 8 PHE CB C 5 35.205 35.205 38.689 -3.484 17832 1957 1 6 . 1 1 8 8 PHE H H 5 8.764 8.764 7.408 1.356 17832 1958 1 6 . 1 1 9 9 LEU HA H 6 3.079 3.079 4.364 -1.285 17832 1959 1 6 . 1 1 9 9 LEU C C 6 175.830 175.830 176.334 -0.504 17832 1960 1 6 . 1 1 9 9 LEU CA C 6 54.075 54.075 54.665 -0.590 17832 1961 1 6 . 1 1 9 9 LEU CB C 6 38.429 38.429 41.519 -3.090 17832 1962 1 6 . 1 1 10 10 ASP N N 7 116.164 116.164 117.742 -1.578 17832 1963 1 6 . 1 1 10 10 ASP HA H 7 4.294 4.294 4.718 -0.424 17832 1964 1 6 . 1 1 10 10 ASP C C 7 174.240 174.240 176.515 -2.275 17832 1965 1 6 . 1 1 10 10 ASP CA C 7 53.201 53.201 54.480 -1.278 17832 1966 1 6 . 1 1 10 10 ASP CB C 7 37.826 37.826 42.048 -4.222 17832 1967 1 6 . 1 1 10 10 ASP H H 7 7.488 7.488 7.528 -0.040 17832 1968 1 6 . 1 1 11 11 GLU N N 8 116.711 116.711 119.047 -2.336 17832 1969 1 6 . 1 1 11 11 GLU HA H 8 4.296 4.296 4.472 -0.176 17832 1970 1 6 . 1 1 11 11 GLU C C 8 173.322 173.322 175.198 -1.876 17832 1971 1 6 . 1 1 11 11 GLU CA C 8 53.231 53.231 56.583 -3.352 17832 1972 1 6 . 1 1 11 11 GLU CB C 8 27.333 27.333 29.351 -2.018 17832 1973 1 6 . 1 1 11 11 GLU H H 8 7.496 7.496 8.618 -1.122 17832 1974 1 6 . 1 1 12 12 LEU N N 9 117.751 117.751 116.460 1.291 17832 1975 1 6 . 1 1 12 12 LEU HA H 9 4.313 4.313 4.846 -0.533 17832 1976 1 6 . 1 1 12 12 LEU C C 9 171.541 171.541 174.219 -2.678 17832 1977 1 6 . 1 1 12 12 LEU CA C 9 49.264 49.264 51.923 -2.659 17832 1978 1 6 . 1 1 12 12 LEU CB C 9 38.581 38.581 41.618 -3.038 17832 1979 1 6 . 1 1 12 12 LEU H H 9 6.803 6.803 7.478 -0.675 17832 1980 1 6 . 1 1 13 13 PRO HA H 10 4.311 4.311 4.481 -0.170 17832 1981 1 6 . 1 1 13 13 PRO C C 10 174.746 174.746 176.663 -1.917 17832 1982 1 6 . 1 1 13 13 PRO CA C 10 60.083 60.083 62.826 -2.743 17832 1983 1 6 . 1 1 13 13 PRO CB C 10 29.131 29.131 32.532 -3.401 17832 1984 1 6 . 1 1 14 14 GLU N N 11 125.693 125.693 118.041 7.652 17832 1985 1 6 . 1 1 14 14 GLU HA H 11 3.854 3.854 4.299 -0.445 17832 1986 1 6 . 1 1 14 14 GLU C C 11 175.180 175.180 178.240 -3.060 17832 1987 1 6 . 1 1 14 14 GLU CA C 11 57.035 57.035 57.827 -0.792 17832 1988 1 6 . 1 1 14 14 GLU CB C 11 26.761 26.761 30.111 -3.350 17832 1989 1 6 . 1 1 14 14 GLU H H 11 8.777 8.777 8.647 0.130 17832 1990 1 6 . 1 1 15 15 SER N N 12 111.734 111.734 115.780 -4.046 17832 1991 1 6 . 1 1 15 15 SER HA H 12 3.884 3.884 4.309 -0.425 17832 1992 1 6 . 1 1 15 15 SER C C 12 173.687 173.687 176.130 -2.443 17832 1993 1 6 . 1 1 15 15 SER CA C 12 58.230 58.230 60.367 -2.137 17832 1994 1 6 . 1 1 15 15 SER CB C 12 58.977 58.977 63.069 -4.093 17832 1995 1 6 . 1 1 15 15 SER H H 12 8.563 8.563 8.179 0.384 17832 1996 1 6 . 1 1 16 16 LEU N N 13 122.925 122.925 120.516 2.409 17832 1997 1 6 . 1 1 16 16 LEU HA H 13 4.081 4.081 4.198 -0.117 17832 1998 1 6 . 1 1 16 16 LEU C C 13 175.385 175.385 177.787 -2.402 17832 1999 1 6 . 1 1 16 16 LEU CA C 13 54.057 54.057 56.958 -2.901 17832 2000 1 6 . 1 1 16 16 LEU CB C 13 39.498 39.498 42.001 -2.503 17832 2001 1 6 . 1 1 16 16 LEU H H 13 6.828 6.828 7.982 -1.154 17832 2002 1 6 . 1 1 17 17 SER N N 14 114.839 114.839 115.120 -0.281 17832 2003 1 6 . 1 1 17 17 SER HA H 14 3.585 3.585 4.104 -0.519 17832 2004 1 6 . 1 1 17 17 SER C C 14 175.435 175.435 176.459 -1.024 17832 2005 1 6 . 1 1 17 17 SER CA C 14 58.835 58.835 61.818 -2.983 17832 2006 1 6 . 1 1 17 17 SER CB C 14 59.345 59.345 62.438 -3.093 17832 2007 1 6 . 1 1 17 17 SER H H 14 8.266 8.266 8.301 -0.035 17832 2008 1 6 . 1 1 18 18 ARG N N 15 121.474 121.474 121.250 0.224 17832 2009 1 6 . 1 1 18 18 ARG HA H 15 3.897 3.897 4.163 -0.266 17832 2010 1 6 . 1 1 18 18 ARG C C 15 176.749 176.749 178.509 -1.760 17832 2011 1 6 . 1 1 18 18 ARG CA C 15 56.827 56.827 59.247 -2.420 17832 2012 1 6 . 1 1 18 18 ARG CB C 15 27.154 27.154 30.090 -2.936 17832 2013 1 6 . 1 1 18 18 ARG H H 15 8.385 8.385 7.837 0.548 17832 2014 1 6 . 1 1 19 19 LYS N N 16 119.494 119.494 120.287 -0.793 17832 2015 1 6 . 1 1 19 19 LYS HA H 16 3.947 3.947 4.140 -0.193 17832 2016 1 6 . 1 1 19 19 LYS C C 16 177.319 177.319 178.962 -1.643 17832 2017 1 6 . 1 1 19 19 LYS CA C 16 57.412 57.412 58.972 -1.560 17832 2018 1 6 . 1 1 19 19 LYS CB C 16 30.432 30.432 32.614 -2.182 17832 2019 1 6 . 1 1 19 19 LYS H H 16 7.269 7.269 7.695 -0.426 17832 2020 1 6 . 1 1 20 20 ILE N N 17 120.972 120.972 120.001 0.971 17832 2021 1 6 . 1 1 20 20 ILE HA H 17 2.813 2.813 3.857 -1.044 17832 2022 1 6 . 1 1 20 20 ILE C C 17 175.324 175.324 177.783 -2.459 17832 2023 1 6 . 1 1 20 20 ILE CA C 17 63.012 63.012 64.915 -1.903 17832 2024 1 6 . 1 1 20 20 ILE CB C 17 34.710 34.710 38.067 -3.357 17832 2025 1 6 . 1 1 20 20 ILE H H 17 7.993 7.993 8.497 -0.504 17832 2026 1 6 . 1 1 21 21 GLY N N 18 106.894 106.894 106.475 0.419 17832 2027 1 6 . 1 1 21 21 GLY C C 18 173.161 173.161 175.650 -2.489 17832 2028 1 6 . 1 1 21 21 GLY CA C 18 44.450 44.450 47.430 -2.980 17832 2029 1 6 . 1 1 21 21 GLY H H 18 8.259 8.259 8.265 -0.006 17832 2030 1 6 . 1 1 22 22 THR N N 19 113.696 113.696 115.786 -2.090 17832 2031 1 6 . 1 1 22 22 THR HA H 19 3.946 3.946 4.208 -0.262 17832 2032 1 6 . 1 1 22 22 THR C C 19 173.081 173.081 176.259 -3.178 17832 2033 1 6 . 1 1 22 22 THR CA C 19 62.984 62.984 64.515 -1.531 17832 2034 1 6 . 1 1 22 22 THR CB C 19 66.403 66.403 69.029 -2.626 17832 2035 1 6 . 1 1 22 22 THR H H 19 7.502 7.502 7.436 0.066 17832 2036 1 6 . 1 1 23 23 VAL N N 20 123.120 123.120 121.607 1.513 17832 2037 1 6 . 1 1 23 23 VAL HA H 20 3.649 3.649 3.844 -0.195 17832 2038 1 6 . 1 1 23 23 VAL C C 20 174.858 174.858 177.590 -2.732 17832 2039 1 6 . 1 1 23 23 VAL CA C 20 62.761 62.761 65.148 -2.387 17832 2040 1 6 . 1 1 23 23 VAL CB C 20 29.222 29.222 31.719 -2.497 17832 2041 1 6 . 1 1 23 23 VAL H H 20 7.168 7.168 7.443 -0.275 17832 2042 1 6 . 1 1 24 24 VAL N N 21 119.729 119.729 119.479 0.250 17832 2043 1 6 . 1 1 24 24 VAL HA H 21 3.541 3.541 3.714 -0.173 17832 2044 1 6 . 1 1 24 24 VAL C C 21 174.410 174.410 177.154 -2.744 17832 2045 1 6 . 1 1 24 24 VAL CA C 21 61.966 61.966 66.085 -4.119 17832 2046 1 6 . 1 1 24 24 VAL CB C 21 29.360 29.360 31.217 -1.857 17832 2047 1 6 . 1 1 24 24 VAL H H 21 8.129 8.129 8.008 0.121 17832 2048 1 6 . 1 1 25 25 ARG N N 22 116.239 116.239 117.804 -1.565 17832 2049 1 6 . 1 1 25 25 ARG HA H 22 3.952 3.952 4.063 -0.111 17832 2050 1 6 . 1 1 25 25 ARG C C 22 174.899 174.899 178.006 -3.107 17832 2051 1 6 . 1 1 25 25 ARG CA C 22 56.097 56.097 58.879 -2.781 17832 2052 1 6 . 1 1 25 25 ARG CB C 22 27.473 27.473 30.162 -2.689 17832 2053 1 6 . 1 1 25 25 ARG H H 22 7.633 7.633 7.593 0.040 17832 2054 1 6 . 1 1 26 26 VAL N N 23 115.006 115.006 117.956 -2.950 17832 2055 1 6 . 1 1 26 26 VAL HA H 23 3.995 3.995 3.940 0.055 17832 2056 1 6 . 1 1 26 26 VAL C C 23 173.187 173.187 176.434 -3.247 17832 2057 1 6 . 1 1 26 26 VAL CA C 23 61.107 61.107 65.342 -4.235 17832 2058 1 6 . 1 1 26 26 VAL CB C 23 29.977 29.977 32.695 -2.718 17832 2059 1 6 . 1 1 26 26 VAL H H 23 6.886 6.886 7.773 -0.887 17832 2060 1 6 . 1 1 27 27 LEU N N 24 120.940 120.940 120.343 0.597 17832 2061 1 6 . 1 1 27 27 LEU HA H 24 4.930 4.930 4.872 0.058 17832 2062 1 6 . 1 1 27 27 LEU C C 24 171.363 171.363 175.154 -3.791 17832 2063 1 6 . 1 1 27 27 LEU CA C 24 48.752 48.752 51.530 -2.778 17832 2064 1 6 . 1 1 27 27 LEU CB C 24 40.669 40.669 41.560 -0.891 17832 2065 1 6 . 1 1 27 27 LEU H H 24 8.338 8.338 7.340 0.998 17832 2066 1 6 . 1 1 28 28 PRO HA H 25 4.767 4.767 4.539 0.228 17832 2067 1 6 . 1 1 28 28 PRO C C 25 176.742 176.742 177.156 -0.414 17832 2068 1 6 . 1 1 28 28 PRO CA C 25 63.453 63.453 64.316 -0.862 17832 2069 1 6 . 1 1 28 28 PRO CB C 25 29.004 29.004 31.946 -2.942 17832 2070 1 6 . 1 1 29 29 SER N N 26 111.726 111.726 113.648 -1.922 17832 2071 1 6 . 1 1 29 29 SER HA H 26 4.422 4.422 4.401 0.021 17832 2072 1 6 . 1 1 29 29 SER C C 26 172.811 172.811 175.654 -2.843 17832 2073 1 6 . 1 1 29 29 SER CA C 26 57.331 57.331 59.317 -1.986 17832 2074 1 6 . 1 1 29 29 SER CB C 26 59.552 59.552 63.662 -4.110 17832 2075 1 6 . 1 1 29 29 SER H H 26 8.279 8.279 8.095 0.184 17832 2076 1 6 . 1 1 30 30 SER N N 27 116.503 116.503 119.277 -2.774 17832 2077 1 6 . 1 1 30 30 SER HA H 27 4.103 4.103 4.051 0.052 17832 2078 1 6 . 1 1 30 30 SER C C 27 174.324 174.324 176.324 -2.000 17832 2079 1 6 . 1 1 30 30 SER CA C 27 58.661 58.661 60.560 -1.899 17832 2080 1 6 . 1 1 30 30 SER CB C 27 61.593 61.593 62.955 -1.362 17832 2081 1 6 . 1 1 30 30 SER H H 27 8.642 8.642 7.906 0.736 17832 2082 1 6 . 1 1 31 31 LEU N N 28 126.322 126.322 121.860 4.462 17832 2083 1 6 . 1 1 31 31 LEU HA H 28 4.281 4.281 3.990 0.291 17832 2084 1 6 . 1 1 31 31 LEU C C 28 175.385 175.385 177.794 -2.409 17832 2085 1 6 . 1 1 31 31 LEU CA C 28 56.992 56.992 58.228 -1.236 17832 2086 1 6 . 1 1 31 31 LEU CB C 28 38.241 38.241 41.714 -3.473 17832 2087 1 6 . 1 1 31 31 LEU H H 28 7.634 7.634 7.654 -0.020 17832 2088 1 6 . 1 1 32 32 GLU N N 29 114.812 114.812 119.289 -4.477 17832 2089 1 6 . 1 1 32 32 GLU HA H 29 4.230 4.230 3.924 0.306 17832 2090 1 6 . 1 1 32 32 GLU C C 29 175.711 175.711 179.258 -3.547 17832 2091 1 6 . 1 1 32 32 GLU CA C 29 56.205 56.205 59.376 -3.171 17832 2092 1 6 . 1 1 32 32 GLU CB C 29 26.903 26.903 29.257 -2.354 17832 2093 1 6 . 1 1 32 32 GLU H H 29 8.283 8.283 7.387 0.896 17832 2094 1 6 . 1 1 33 33 ILE N N 30 121.972 121.972 118.536 3.436 17832 2095 1 6 . 1 1 33 33 ILE HA H 30 3.773 3.773 3.704 0.070 17832 2096 1 6 . 1 1 33 33 ILE C C 30 175.177 175.177 178.062 -2.885 17832 2097 1 6 . 1 1 33 33 ILE CA C 30 62.116 62.116 64.639 -2.523 17832 2098 1 6 . 1 1 33 33 ILE CB C 30 35.018 35.018 37.980 -2.962 17832 2099 1 6 . 1 1 33 33 ILE H H 30 7.477 7.477 8.059 -0.582 17832 2100 1 6 . 1 1 34 34 PHE N N 31 117.727 117.727 119.000 -1.273 17832 2101 1 6 . 1 1 34 34 PHE HA H 31 4.208 4.208 4.186 0.022 17832 2102 1 6 . 1 1 34 34 PHE C C 31 174.731 174.731 177.797 -3.066 17832 2103 1 6 . 1 1 34 34 PHE CA C 31 61.035 61.035 59.683 1.352 17832 2104 1 6 . 1 1 34 34 PHE CB C 31 36.224 36.224 37.636 -1.412 17832 2105 1 6 . 1 1 34 34 PHE H H 31 8.137 8.137 6.911 1.226 17832 2106 1 6 . 1 1 35 35 GLU N N 32 118.271 118.271 118.819 -0.548 17832 2107 1 6 . 1 1 35 35 GLU HA H 32 2.721 2.721 4.308 -1.587 17832 2108 1 6 . 1 1 35 35 GLU C C 32 174.785 174.785 179.392 -4.607 17832 2109 1 6 . 1 1 35 35 GLU CA C 32 57.304 57.304 59.843 -2.539 17832 2110 1 6 . 1 1 35 35 GLU CB C 32 26.997 26.997 28.641 -1.644 17832 2111 1 6 . 1 1 35 35 GLU H H 32 8.249 8.249 8.947 -0.698 17832 2112 1 6 . 1 1 36 36 GLU N N 33 119.678 119.678 119.346 0.332 17832 2113 1 6 . 1 1 36 36 GLU HA H 33 3.887 3.887 4.120 -0.233 17832 2114 1 6 . 1 1 36 36 GLU C C 33 176.760 176.760 178.717 -1.957 17832 2115 1 6 . 1 1 36 36 GLU CA C 33 57.241 57.241 58.202 -0.961 17832 2116 1 6 . 1 1 36 36 GLU CB C 33 26.806 26.806 29.841 -3.035 17832 2117 1 6 . 1 1 36 36 GLU H H 33 7.971 7.971 7.682 0.289 17832 2118 1 6 . 1 1 37 37 LEU N N 34 120.144 120.144 121.056 -0.912 17832 2119 1 6 . 1 1 37 37 LEU HA H 34 4.280 4.280 4.096 0.184 17832 2120 1 6 . 1 1 37 37 LEU C C 34 174.327 174.327 178.680 -4.353 17832 2121 1 6 . 1 1 37 37 LEU CA C 34 55.502 55.502 57.663 -2.161 17832 2122 1 6 . 1 1 37 37 LEU CB C 34 39.354 39.354 42.048 -2.695 17832 2123 1 6 . 1 1 37 37 LEU H H 34 8.278 8.278 7.286 0.992 17832 2124 1 6 . 1 1 38 38 TYR N N 35 119.703 119.703 117.008 2.695 17832 2125 1 6 . 1 1 38 38 TYR HA H 35 4.070 4.070 4.156 -0.086 17832 2126 1 6 . 1 1 38 38 TYR C C 35 173.298 173.298 177.573 -4.275 17832 2127 1 6 . 1 1 38 38 TYR CA C 35 59.098 59.098 60.549 -1.451 17832 2128 1 6 . 1 1 38 38 TYR CB C 35 36.534 36.534 37.716 -1.182 17832 2129 1 6 . 1 1 38 38 TYR H H 35 8.417 8.417 8.458 -0.041 17832 2130 1 6 . 1 1 39 39 LYS N N 36 115.392 115.392 119.320 -3.928 17832 2131 1 6 . 1 1 39 39 LYS HA H 36 3.621 3.621 3.509 0.112 17832 2132 1 6 . 1 1 39 39 LYS C C 36 176.456 176.456 178.118 -1.662 17832 2133 1 6 . 1 1 39 39 LYS CA C 36 57.011 57.011 58.597 -1.586 17832 2134 1 6 . 1 1 39 39 LYS CB C 36 29.694 29.694 31.943 -2.249 17832 2135 1 6 . 1 1 39 39 LYS H H 36 8.441 8.441 7.106 1.335 17832 2136 1 6 . 1 1 40 40 TYR N N 37 120.325 120.325 120.453 -0.128 17832 2137 1 6 . 1 1 40 40 TYR HA H 37 4.078 4.078 4.015 0.063 17832 2138 1 6 . 1 1 40 40 TYR C C 37 175.043 175.043 176.827 -1.784 17832 2139 1 6 . 1 1 40 40 TYR CA C 37 58.971 58.971 61.688 -2.717 17832 2140 1 6 . 1 1 40 40 TYR CB C 37 35.875 35.875 38.439 -2.564 17832 2141 1 6 . 1 1 40 40 TYR H H 37 8.344 8.344 7.587 0.757 17832 2142 1 6 . 1 1 41 41 ALA N N 38 121.802 121.802 120.274 1.528 17832 2143 1 6 . 1 1 41 41 ALA HA H 38 3.746 3.746 4.117 -0.371 17832 2144 1 6 . 1 1 41 41 ALA C C 38 175.962 175.962 179.530 -3.568 17832 2145 1 6 . 1 1 41 41 ALA CA C 38 51.780 51.780 54.560 -2.780 17832 2146 1 6 . 1 1 41 41 ALA CB C 38 17.381 17.381 18.074 -0.693 17832 2147 1 6 . 1 1 41 41 ALA H H 38 8.291 8.291 7.830 0.461 17832 2148 1 6 . 1 1 42 42 LEU N N 39 116.563 116.563 118.445 -1.882 17832 2149 1 6 . 1 1 42 42 LEU HA H 39 3.820 3.820 4.017 -0.197 17832 2150 1 6 . 1 1 42 42 LEU C C 39 176.020 176.020 178.155 -2.135 17832 2151 1 6 . 1 1 42 42 LEU CA C 39 54.011 54.011 57.247 -3.236 17832 2152 1 6 . 1 1 42 42 LEU CB C 39 39.796 39.796 42.150 -2.353 17832 2153 1 6 . 1 1 42 42 LEU H H 39 7.865 7.865 7.525 0.340 17832 2154 1 6 . 1 1 43 43 ASN N N 40 115.561 115.561 117.454 -1.893 17832 2155 1 6 . 1 1 43 43 ASN HA H 40 4.436 4.436 4.525 -0.089 17832 2156 1 6 . 1 1 43 43 ASN C C 40 173.390 173.390 178.060 -4.670 17832 2157 1 6 . 1 1 43 43 ASN CA C 40 51.492 51.492 55.404 -3.912 17832 2158 1 6 . 1 1 43 43 ASN CB C 40 36.401 36.401 38.486 -2.086 17832 2159 1 6 . 1 1 43 43 ASN H H 40 7.467 7.467 7.693 -0.226 17832 2160 1 6 . 1 1 44 44 GLU N N 41 120.609 120.609 118.635 1.974 17832 2161 1 6 . 1 1 44 44 GLU HA H 41 3.986 3.986 3.974 0.012 17832 2162 1 6 . 1 1 44 44 GLU C C 41 174.161 174.161 177.271 -3.110 17832 2163 1 6 . 1 1 44 44 GLU CA C 41 54.775 54.775 58.434 -3.659 17832 2164 1 6 . 1 1 44 44 GLU CB C 41 27.094 27.094 28.827 -1.733 17832 2165 1 6 . 1 1 44 44 GLU H H 41 7.817 7.817 7.569 0.248 17832 2166 1 6 . 1 1 45 45 ASN N N 42 118.453 118.453 116.346 2.107 17832 2167 1 6 . 1 1 45 45 ASN HA H 42 4.618 4.618 4.565 0.053 17832 2168 1 6 . 1 1 45 45 ASN C C 42 172.912 172.912 175.680 -2.768 17832 2169 1 6 . 1 1 45 45 ASN CA C 42 50.988 50.988 54.873 -3.885 17832 2170 1 6 . 1 1 45 45 ASN CB C 42 36.267 36.267 39.122 -2.855 17832 2171 1 6 . 1 1 45 45 ASN H H 42 8.087 8.087 7.734 0.353 17832 2172 1 6 . 1 1 46 46 SER N N 43 115.581 115.581 114.830 0.751 17832 2173 1 6 . 1 1 46 46 SER HA H 43 4.292 4.292 4.633 -0.341 17832 2174 1 6 . 1 1 46 46 SER C C 43 172.136 172.136 173.403 -1.267 17832 2175 1 6 . 1 1 46 46 SER CA C 43 56.202 56.202 57.916 -1.714 17832 2176 1 6 . 1 1 46 46 SER CB C 43 60.909 60.909 65.235 -4.326 17832 2177 1 6 . 1 1 46 46 SER H H 43 8.062 8.062 7.677 0.385 17832 2178 1 6 . 1 1 47 47 ASN N N 44 120.517 120.517 118.069 2.448 17832 2179 1 6 . 1 1 47 47 ASN HA H 44 4.617 4.617 4.434 0.183 17832 2180 1 6 . 1 1 47 47 ASN C C 44 172.545 172.545 174.032 -1.487 17832 2181 1 6 . 1 1 47 47 ASN CA C 44 51.174 51.174 54.150 -2.976 17832 2182 1 6 . 1 1 47 47 ASN CB C 44 36.208 36.208 38.369 -2.161 17832 2183 1 6 . 1 1 47 47 ASN H H 44 8.329 8.329 8.505 -0.176 17832 2184 1 6 . 1 1 48 48 ASP N N 45 120.294 120.294 121.827 -1.533 17832 2185 1 6 . 1 1 48 48 ASP HA H 45 4.500 4.500 4.684 -0.184 17832 2186 1 6 . 1 1 48 48 ASP C C 45 173.835 173.835 176.813 -2.978 17832 2187 1 6 . 1 1 48 48 ASP CA C 45 52.030 52.030 55.142 -3.112 17832 2188 1 6 . 1 1 48 48 ASP CB C 45 38.326 38.326 41.421 -3.095 17832 2189 1 6 . 1 1 48 48 ASP H H 45 8.220 8.220 8.600 -0.380 17832 2190 1 6 . 1 1 49 49 ARG N N 46 121.139 121.139 120.454 0.685 17832 2191 1 6 . 1 1 49 49 ARG HA H 46 4.274 4.274 4.442 -0.168 17832 2192 1 6 . 1 1 49 49 ARG C C 46 174.032 174.032 174.930 -0.898 17832 2193 1 6 . 1 1 49 49 ARG CA C 46 53.425 53.425 55.895 -2.470 17832 2194 1 6 . 1 1 49 49 ARG CB C 46 27.615 27.615 30.204 -2.589 17832 2195 1 6 . 1 1 49 49 ARG H H 46 8.180 8.180 8.303 -0.123 17832 2196 1 6 . 1 1 50 50 SER N N 47 116.289 116.289 115.181 1.108 17832 2197 1 6 . 1 1 50 50 SER HA H 47 4.269 4.269 4.194 0.075 17832 2198 1 6 . 1 1 50 50 SER C C 47 172.337 172.337 174.072 -1.735 17832 2199 1 6 . 1 1 50 50 SER CA C 47 56.379 56.379 59.009 -2.630 17832 2200 1 6 . 1 1 50 50 SER CB C 47 60.970 60.970 63.698 -2.728 17832 2201 1 6 . 1 1 50 50 SER H H 47 8.236 8.236 8.101 0.135 17832 2202 1 6 . 1 1 51 51 GLU N N 48 122.019 122.019 119.265 2.754 17832 2203 1 6 . 1 1 51 51 GLU HA H 48 4.134 4.134 4.336 -0.202 17832 2204 1 6 . 1 1 51 51 GLU C C 48 174.002 174.002 176.030 -2.028 17832 2205 1 6 . 1 1 51 51 GLU CA C 48 54.285 54.285 56.312 -2.027 17832 2206 1 6 . 1 1 51 51 GLU CB C 48 27.192 27.192 30.331 -3.139 17832 2207 1 6 . 1 1 51 51 GLU H H 48 8.423 8.423 8.515 -0.092 17832 2208 1 6 . 1 1 52 52 HIS N N 49 119.075 119.075 118.598 0.477 17832 2209 1 6 . 1 1 52 52 HIS HA H 49 4.486 4.486 4.916 -0.430 17832 2210 1 6 . 1 1 52 52 HIS C C 49 172.663 172.663 174.857 -2.194 17832 2211 1 6 . 1 1 52 52 HIS CA C 49 53.775 53.775 55.735 -1.960 17832 2212 1 6 . 1 1 52 52 HIS CB C 49 27.714 27.714 30.907 -3.192 17832 2213 1 6 . 1 1 52 52 HIS H H 49 8.117 8.117 8.361 -0.244 17832 2214 1 6 . 1 1 53 53 HIS N N 50 119.483 119.483 120.523 -1.040 17832 2215 1 6 . 1 1 53 53 HIS HA H 50 4.538 4.538 4.788 -0.250 17832 2216 1 6 . 1 1 53 53 HIS C C 50 172.355 172.355 174.683 -2.328 17832 2217 1 6 . 1 1 53 53 HIS CA C 50 53.433 53.433 56.214 -2.781 17832 2218 1 6 . 1 1 53 53 HIS CB C 50 27.694 27.694 29.553 -1.859 17832 2219 1 6 . 1 1 53 53 HIS H H 50 8.068 8.068 8.783 -0.715 17832 2220 1 6 . 1 1 54 54 LYS N N 51 122.136 122.136 125.426 -3.290 17832 2221 1 6 . 1 1 54 54 LYS HA H 51 4.215 4.215 4.435 -0.220 17832 2222 1 6 . 1 1 54 54 LYS C C 51 173.474 173.474 175.502 -2.028 17832 2223 1 6 . 1 1 54 54 LYS CA C 51 53.445 53.445 56.697 -3.252 17832 2224 1 6 . 1 1 54 54 LYS CB C 51 30.329 30.329 32.643 -2.314 17832 2225 1 6 . 1 1 54 54 LYS H H 51 8.121 8.121 8.439 -0.318 17832 2226 1 6 . 1 1 55 55 LYS N N 52 124.022 124.022 122.001 2.021 17832 2227 1 6 . 1 1 55 55 LYS HA H 52 4.508 4.508 4.633 -0.125 17832 2228 1 6 . 1 1 55 55 LYS C C 52 171.685 171.685 174.356 -2.671 17832 2229 1 6 . 1 1 55 55 LYS CA C 52 51.516 51.516 53.498 -1.982 17832 2230 1 6 . 1 1 55 55 LYS CB C 52 29.818 29.818 32.611 -2.793 17832 2231 1 6 . 1 1 55 55 LYS H H 52 8.262 8.262 7.981 0.281 17832 2232 1 6 . 1 1 56 56 PRO HA H 53 4.340 4.340 4.523 -0.183 17832 2233 1 6 . 1 1 56 56 PRO C C 53 173.830 173.830 176.252 -2.422 17832 2234 1 6 . 1 1 56 56 PRO CA C 53 60.496 60.496 63.027 -2.531 17832 2235 1 6 . 1 1 56 56 PRO CB C 53 29.444 29.444 31.236 -1.792 17832 2236 1 6 . 1 1 57 57 ARG N N 54 121.870 121.870 123.071 -1.201 17832 2237 1 6 . 1 1 57 57 ARG HA H 54 4.279 4.279 4.637 -0.358 17832 2238 1 6 . 1 1 57 57 ARG C C 54 173.560 173.560 175.262 -1.702 17832 2239 1 6 . 1 1 57 57 ARG CA C 54 53.172 53.172 54.968 -1.796 17832 2240 1 6 . 1 1 57 57 ARG CB C 54 28.273 28.273 33.593 -5.321 17832 2241 1 6 . 1 1 57 57 ARG H H 54 8.396 8.396 7.877 0.519 17832 2242 1 6 . 1 1 58 58 ILE N N 55 122.683 122.683 122.417 0.266 17832 2243 1 6 . 1 1 58 58 ILE HA H 55 4.117 4.117 4.295 -0.178 17832 2244 1 6 . 1 1 58 58 ILE C C 55 173.034 173.034 174.803 -1.769 17832 2245 1 6 . 1 1 58 58 ILE CA C 55 58.378 58.378 61.589 -3.211 17832 2246 1 6 . 1 1 58 58 ILE CB C 55 36.113 36.113 39.398 -3.285 17832 2247 1 6 . 1 1 58 58 ILE H H 55 8.258 8.258 8.518 -0.260 17832 2248 1 6 . 1 1 59 59 ASP N N 56 123.975 123.975 128.162 -4.187 17832 2249 1 6 . 1 1 59 59 ASP HA H 56 4.581 4.581 4.699 -0.118 17832 2250 1 6 . 1 1 59 59 ASP C C 56 172.780 172.780 175.530 -2.750 17832 2251 1 6 . 1 1 59 59 ASP CA C 56 51.525 51.525 53.863 -2.338 17832 2252 1 6 . 1 1 59 59 ASP CB C 56 38.460 38.460 41.248 -2.788 17832 2253 1 6 . 1 1 59 59 ASP H H 56 8.364 8.364 8.537 -0.173 17832 2254 1 6 . 1 1 60 60 ASP N N 57 121.471 121.471 123.906 -2.435 17832 2255 1 6 . 1 1 60 60 ASP HA H 57 4.563 4.563 4.339 0.224 17832 2256 1 6 . 1 1 60 60 ASP C C 57 173.851 173.851 174.855 -1.004 17832 2257 1 6 . 1 1 60 60 ASP CA C 57 51.586 51.586 55.079 -3.493 17832 2258 1 6 . 1 1 60 60 ASP CB C 57 38.468 38.468 40.635 -2.167 17832 2259 1 6 . 1 1 60 60 ASP H H 57 8.393 8.393 8.956 -0.563 17832 2260 1 6 . 1 1 61 61 SER N N 58 116.207 116.207 115.648 0.559 17832 2261 1 6 . 1 1 61 61 SER C C 58 172.389 172.389 174.228 -1.839 17832 2262 1 6 . 1 1 61 61 SER CA C 58 56.129 56.129 57.997 -1.868 17832 2263 1 6 . 1 1 61 61 SER CB C 58 60.945 60.945 63.453 -2.507 17832 2264 1 6 . 1 1 61 61 SER H H 58 8.331 8.331 8.283 0.048 17832 2265 1 6 . 1 1 62 62 SER N N 59 117.805 117.805 120.404 -2.599 17832 2266 1 6 . 1 1 62 62 SER C C 59 171.778 171.778 173.884 -2.106 17832 2267 1 6 . 1 1 62 62 SER CA C 59 56.290 56.290 57.976 -1.686 17832 2268 1 6 . 1 1 62 62 SER CB C 59 60.930 60.930 63.123 -2.193 17832 2269 1 6 . 1 1 62 62 SER H H 59 8.334 8.334 8.534 -0.200 17832 2270 1 6 . 1 1 63 63 ASP N N 60 122.124 122.124 124.622 -2.498 17832 2271 1 6 . 1 1 63 63 ASP HA H 60 4.512 4.512 4.860 -0.348 17832 2272 1 6 . 1 1 63 63 ASP C C 60 173.550 173.550 174.603 -1.053 17832 2273 1 6 . 1 1 63 63 ASP CA C 60 51.916 51.916 54.411 -2.495 17832 2274 1 6 . 1 1 63 63 ASP CB C 60 38.264 38.264 43.319 -5.055 17832 2275 1 6 . 1 1 63 63 ASP H H 60 8.278 8.278 8.385 -0.107 17832 2276 1 6 . 1 1 64 64 LEU N N 61 121.450 121.450 122.007 -0.557 17832 2277 1 6 . 1 1 64 64 LEU HA H 61 4.223 4.223 4.600 -0.377 17832 2278 1 6 . 1 1 64 64 LEU C C 61 174.603 174.603 176.087 -1.484 17832 2279 1 6 . 1 1 64 64 LEU CA C 61 52.640 52.640 55.132 -2.492 17832 2280 1 6 . 1 1 64 64 LEU CB C 61 39.502 39.502 42.995 -3.493 17832 2281 1 6 . 1 1 64 64 LEU H H 61 7.931 7.931 8.454 -0.523 17832 2282 1 6 . 1 1 65 65 LEU N N 62 122.042 122.042 118.245 3.797 17832 2283 1 6 . 1 1 65 65 LEU HA H 62 4.273 4.273 4.777 -0.504 17832 2284 1 6 . 1 1 65 65 LEU C C 62 174.372 174.372 175.495 -1.123 17832 2285 1 6 . 1 1 65 65 LEU CA C 62 52.339 52.339 53.928 -1.589 17832 2286 1 6 . 1 1 65 65 LEU CB C 62 39.426 39.426 43.078 -3.652 17832 2287 1 6 . 1 1 65 65 LEU H H 62 8.023 8.023 7.750 0.273 17832 2288 1 6 . 1 1 66 66 LYS N N 63 122.782 122.782 119.680 3.102 17832 2289 1 6 . 1 1 66 66 LYS HA H 63 4.349 4.349 4.569 -0.220 17832 2290 1 6 . 1 1 66 66 LYS C C 63 173.936 173.936 177.436 -3.500 17832 2291 1 6 . 1 1 66 66 LYS CA C 63 53.305 53.305 55.336 -2.031 17832 2292 1 6 . 1 1 66 66 LYS CB C 63 30.305 30.305 34.308 -4.003 17832 2293 1 6 . 1 1 66 66 LYS H H 63 8.145 8.145 8.311 -0.166 17832 2294 1 6 . 1 1 67 67 THR N N 64 115.478 115.478 116.166 -0.688 17832 2295 1 6 . 1 1 67 67 THR HA H 64 4.298 4.298 4.354 -0.056 17832 2296 1 6 . 1 1 67 67 THR C C 64 171.473 171.473 174.101 -2.628 17832 2297 1 6 . 1 1 67 67 THR CA C 64 58.943 58.943 61.240 -2.297 17832 2298 1 6 . 1 1 67 67 THR CB C 64 67.038 67.038 67.758 -0.720 17832 2299 1 6 . 1 1 67 67 THR H H 64 8.196 8.196 8.631 -0.435 17832 2300 1 6 . 1 1 68 68 ASP N N 65 122.013 122.013 123.373 -1.360 17832 2301 1 6 . 1 1 68 68 ASP C C 65 173.191 173.191 175.593 -2.402 17832 2302 1 6 . 1 1 68 68 ASP CA C 65 51.628 51.628 53.799 -2.171 17832 2303 1 6 . 1 1 68 68 ASP CB C 65 38.495 38.495 41.198 -2.703 17832 2304 1 6 . 1 1 68 68 ASP H H 65 8.307 8.307 7.931 0.376 17832 2305 1 6 . 1 1 69 69 GLU N N 66 121.260 121.260 123.872 -2.612 17832 2306 1 6 . 1 1 69 69 GLU HA H 66 4.235 4.235 4.400 -0.165 17832 2307 1 6 . 1 1 69 69 GLU C C 66 172.706 172.706 177.449 -4.743 17832 2308 1 6 . 1 1 69 69 GLU CA C 66 53.881 53.881 56.159 -2.278 17832 2309 1 6 . 1 1 69 69 GLU CB C 66 27.731 27.731 30.313 -2.582 17832 2310 1 6 . 1 1 69 69 GLU H H 66 8.216 8.216 8.407 -0.191 17832 2311 1 7 . 1 1 3 3 MET C C 0 173.346 173.346 175.414 -2.068 17832 2312 1 7 . 1 1 3 3 MET CA C 0 52.930 52.930 56.113 -3.183 17832 2313 1 7 . 1 1 3 3 MET CB C 0 29.966 29.966 33.466 -3.500 17832 2314 1 7 . 1 1 4 4 MET N N 1 121.822 121.822 118.306 3.516 17832 2315 1 7 . 1 1 4 4 MET HA H 1 4.378 4.378 4.659 -0.281 17832 2316 1 7 . 1 1 4 4 MET C C 1 173.585 173.585 175.974 -2.389 17832 2317 1 7 . 1 1 4 4 MET CA C 1 52.943 52.943 54.965 -2.022 17832 2318 1 7 . 1 1 4 4 MET CB C 1 30.112 30.112 32.909 -2.797 17832 2319 1 7 . 1 1 4 4 MET H H 1 8.553 8.553 8.324 0.229 17832 2320 1 7 . 1 1 5 5 SER N N 2 117.291 117.291 116.889 0.402 17832 2321 1 7 . 1 1 5 5 SER HA H 2 4.402 4.402 4.538 -0.136 17832 2322 1 7 . 1 1 5 5 SER C C 2 171.427 171.427 174.106 -2.679 17832 2323 1 7 . 1 1 5 5 SER CA C 2 55.920 55.920 57.916 -1.996 17832 2324 1 7 . 1 1 5 5 SER CB C 2 61.033 61.033 63.060 -2.027 17832 2325 1 7 . 1 1 5 5 SER H H 2 8.337 8.337 8.141 0.196 17832 2326 1 7 . 1 1 6 6 LYS N N 3 121.932 121.932 123.512 -1.580 17832 2327 1 7 . 1 1 6 6 LYS HA H 3 4.282 4.282 3.969 0.313 17832 2328 1 7 . 1 1 6 6 LYS C C 3 173.822 173.822 175.158 -1.336 17832 2329 1 7 . 1 1 6 6 LYS CA C 3 53.556 53.556 56.827 -3.271 17832 2330 1 7 . 1 1 6 6 LYS CB C 3 30.569 30.569 30.871 -0.302 17832 2331 1 7 . 1 1 6 6 LYS H H 3 8.216 8.216 8.724 -0.508 17832 2332 1 7 . 1 1 7 7 LEU N N 4 123.131 123.131 121.897 1.234 17832 2333 1 7 . 1 1 7 7 LEU HA H 4 4.310 4.310 4.304 0.006 17832 2334 1 7 . 1 1 7 7 LEU C C 4 176.226 176.226 175.387 0.839 17832 2335 1 7 . 1 1 7 7 LEU CA C 4 52.753 52.753 54.863 -2.110 17832 2336 1 7 . 1 1 7 7 LEU CB C 4 39.626 39.626 39.456 0.170 17832 2337 1 7 . 1 1 7 7 LEU H H 4 8.301 8.301 8.597 -0.296 17832 2338 1 7 . 1 1 8 8 PHE N N 5 122.547 122.547 115.566 6.981 17832 2339 1 7 . 1 1 8 8 PHE HA H 5 4.313 4.313 4.605 -0.292 17832 2340 1 7 . 1 1 8 8 PHE CA C 5 56.963 56.963 57.977 -1.014 17832 2341 1 7 . 1 1 8 8 PHE CB C 5 35.205 35.205 39.007 -3.802 17832 2342 1 7 . 1 1 8 8 PHE H H 5 8.764 8.764 7.286 1.478 17832 2343 1 7 . 1 1 9 9 LEU HA H 6 3.079 3.079 4.225 -1.146 17832 2344 1 7 . 1 1 9 9 LEU C C 6 175.830 175.830 177.150 -1.320 17832 2345 1 7 . 1 1 9 9 LEU CA C 6 54.075 54.075 56.738 -2.663 17832 2346 1 7 . 1 1 9 9 LEU CB C 6 38.429 38.429 42.361 -3.933 17832 2347 1 7 . 1 1 10 10 ASP N N 7 116.164 116.164 117.811 -1.647 17832 2348 1 7 . 1 1 10 10 ASP HA H 7 4.294 4.294 4.671 -0.377 17832 2349 1 7 . 1 1 10 10 ASP C C 7 174.240 174.240 175.718 -1.478 17832 2350 1 7 . 1 1 10 10 ASP CA C 7 53.201 53.201 54.862 -1.661 17832 2351 1 7 . 1 1 10 10 ASP CB C 7 37.826 37.826 40.200 -2.374 17832 2352 1 7 . 1 1 10 10 ASP H H 7 7.488 7.488 8.176 -0.688 17832 2353 1 7 . 1 1 11 11 GLU N N 8 116.711 116.711 119.325 -2.614 17832 2354 1 7 . 1 1 11 11 GLU HA H 8 4.296 4.296 4.527 -0.231 17832 2355 1 7 . 1 1 11 11 GLU C C 8 173.322 173.322 175.200 -1.878 17832 2356 1 7 . 1 1 11 11 GLU CA C 8 53.231 53.231 56.395 -3.164 17832 2357 1 7 . 1 1 11 11 GLU CB C 8 27.333 27.333 30.176 -2.843 17832 2358 1 7 . 1 1 11 11 GLU H H 8 7.496 7.496 8.134 -0.638 17832 2359 1 7 . 1 1 12 12 LEU N N 9 117.751 117.751 116.179 1.572 17832 2360 1 7 . 1 1 12 12 LEU HA H 9 4.313 4.313 4.841 -0.528 17832 2361 1 7 . 1 1 12 12 LEU C C 9 171.541 171.541 174.166 -2.625 17832 2362 1 7 . 1 1 12 12 LEU CA C 9 49.264 49.264 52.259 -2.995 17832 2363 1 7 . 1 1 12 12 LEU CB C 9 38.581 38.581 41.727 -3.147 17832 2364 1 7 . 1 1 12 12 LEU H H 9 6.803 6.803 7.497 -0.694 17832 2365 1 7 . 1 1 13 13 PRO HA H 10 4.311 4.311 4.351 -0.040 17832 2366 1 7 . 1 1 13 13 PRO C C 10 174.746 174.746 177.357 -2.611 17832 2367 1 7 . 1 1 13 13 PRO CA C 10 60.083 60.083 62.603 -2.520 17832 2368 1 7 . 1 1 13 13 PRO CB C 10 29.131 29.131 32.637 -3.506 17832 2369 1 7 . 1 1 14 14 GLU N N 11 125.693 125.693 118.654 7.039 17832 2370 1 7 . 1 1 14 14 GLU HA H 11 3.854 3.854 4.168 -0.314 17832 2371 1 7 . 1 1 14 14 GLU C C 11 175.180 175.180 178.571 -3.391 17832 2372 1 7 . 1 1 14 14 GLU CA C 11 57.035 57.035 58.485 -1.450 17832 2373 1 7 . 1 1 14 14 GLU CB C 11 26.761 26.761 29.877 -3.116 17832 2374 1 7 . 1 1 14 14 GLU H H 11 8.777 8.777 8.714 0.063 17832 2375 1 7 . 1 1 15 15 SER N N 12 111.734 111.734 115.892 -4.158 17832 2376 1 7 . 1 1 15 15 SER HA H 12 3.884 3.884 4.215 -0.331 17832 2377 1 7 . 1 1 15 15 SER C C 12 173.687 173.687 176.435 -2.748 17832 2378 1 7 . 1 1 15 15 SER CA C 12 58.230 58.230 60.969 -2.739 17832 2379 1 7 . 1 1 15 15 SER CB C 12 58.977 58.977 62.865 -3.888 17832 2380 1 7 . 1 1 15 15 SER H H 12 8.563 8.563 8.253 0.310 17832 2381 1 7 . 1 1 16 16 LEU N N 13 122.925 122.925 121.175 1.750 17832 2382 1 7 . 1 1 16 16 LEU HA H 13 4.081 4.081 4.156 -0.075 17832 2383 1 7 . 1 1 16 16 LEU C C 13 175.385 175.385 178.650 -3.265 17832 2384 1 7 . 1 1 16 16 LEU CA C 13 54.057 54.057 57.195 -3.138 17832 2385 1 7 . 1 1 16 16 LEU CB C 13 39.498 39.498 42.023 -2.525 17832 2386 1 7 . 1 1 16 16 LEU H H 13 6.828 6.828 7.895 -1.067 17832 2387 1 7 . 1 1 17 17 SER N N 14 114.839 114.839 114.079 0.760 17832 2388 1 7 . 1 1 17 17 SER HA H 14 3.585 3.585 4.087 -0.502 17832 2389 1 7 . 1 1 17 17 SER C C 14 175.435 175.435 176.902 -1.467 17832 2390 1 7 . 1 1 17 17 SER CA C 14 58.835 58.835 61.472 -2.637 17832 2391 1 7 . 1 1 17 17 SER CB C 14 59.345 59.345 62.747 -3.402 17832 2392 1 7 . 1 1 17 17 SER H H 14 8.266 8.266 7.699 0.567 17832 2393 1 7 . 1 1 18 18 ARG N N 15 121.474 121.474 120.011 1.463 17832 2394 1 7 . 1 1 18 18 ARG HA H 15 3.897 3.897 4.046 -0.149 17832 2395 1 7 . 1 1 18 18 ARG C C 15 176.749 176.749 178.442 -1.693 17832 2396 1 7 . 1 1 18 18 ARG CA C 15 56.827 56.827 59.636 -2.809 17832 2397 1 7 . 1 1 18 18 ARG CB C 15 27.154 27.154 30.391 -3.237 17832 2398 1 7 . 1 1 18 18 ARG H H 15 8.385 8.385 7.623 0.762 17832 2399 1 7 . 1 1 19 19 LYS N N 16 119.494 119.494 118.891 0.603 17832 2400 1 7 . 1 1 19 19 LYS HA H 16 3.947 3.947 4.199 -0.252 17832 2401 1 7 . 1 1 19 19 LYS C C 16 177.319 177.319 178.715 -1.396 17832 2402 1 7 . 1 1 19 19 LYS CA C 16 57.412 57.412 58.660 -1.248 17832 2403 1 7 . 1 1 19 19 LYS CB C 16 30.432 30.432 31.915 -1.483 17832 2404 1 7 . 1 1 19 19 LYS H H 16 7.269 7.269 7.837 -0.568 17832 2405 1 7 . 1 1 20 20 ILE N N 17 120.972 120.972 120.924 0.048 17832 2406 1 7 . 1 1 20 20 ILE HA H 17 2.813 2.813 3.861 -1.048 17832 2407 1 7 . 1 1 20 20 ILE C C 17 175.324 175.324 177.841 -2.517 17832 2408 1 7 . 1 1 20 20 ILE CA C 17 63.012 63.012 64.747 -1.735 17832 2409 1 7 . 1 1 20 20 ILE CB C 17 34.710 34.710 37.847 -3.137 17832 2410 1 7 . 1 1 20 20 ILE H H 17 7.993 7.993 7.647 0.346 17832 2411 1 7 . 1 1 21 21 GLY N N 18 106.894 106.894 106.620 0.274 17832 2412 1 7 . 1 1 21 21 GLY C C 18 173.161 173.161 175.901 -2.740 17832 2413 1 7 . 1 1 21 21 GLY CA C 18 44.450 44.450 47.637 -3.187 17832 2414 1 7 . 1 1 21 21 GLY H H 18 8.259 8.259 8.341 -0.082 17832 2415 1 7 . 1 1 22 22 THR N N 19 113.696 113.696 115.216 -1.520 17832 2416 1 7 . 1 1 22 22 THR HA H 19 3.946 3.946 4.201 -0.255 17832 2417 1 7 . 1 1 22 22 THR C C 19 173.081 173.081 176.061 -2.980 17832 2418 1 7 . 1 1 22 22 THR CA C 19 62.984 62.984 64.539 -1.555 17832 2419 1 7 . 1 1 22 22 THR CB C 19 66.403 66.403 69.093 -2.690 17832 2420 1 7 . 1 1 22 22 THR H H 19 7.502 7.502 7.542 -0.040 17832 2421 1 7 . 1 1 23 23 VAL N N 20 123.120 123.120 120.409 2.711 17832 2422 1 7 . 1 1 23 23 VAL HA H 20 3.649 3.649 4.036 -0.387 17832 2423 1 7 . 1 1 23 23 VAL C C 20 174.858 174.858 177.773 -2.915 17832 2424 1 7 . 1 1 23 23 VAL CA C 20 62.761 62.761 64.329 -1.568 17832 2425 1 7 . 1 1 23 23 VAL CB C 20 29.222 29.222 31.783 -2.561 17832 2426 1 7 . 1 1 23 23 VAL H H 20 7.168 7.168 7.382 -0.214 17832 2427 1 7 . 1 1 24 24 VAL N N 21 119.729 119.729 121.016 -1.287 17832 2428 1 7 . 1 1 24 24 VAL HA H 21 3.541 3.541 3.758 -0.217 17832 2429 1 7 . 1 1 24 24 VAL C C 21 174.410 174.410 177.831 -3.421 17832 2430 1 7 . 1 1 24 24 VAL CA C 21 61.966 61.966 65.568 -3.602 17832 2431 1 7 . 1 1 24 24 VAL CB C 21 29.360 29.360 31.055 -1.695 17832 2432 1 7 . 1 1 24 24 VAL H H 21 8.129 8.129 8.696 -0.567 17832 2433 1 7 . 1 1 25 25 ARG N N 22 116.239 116.239 119.076 -2.837 17832 2434 1 7 . 1 1 25 25 ARG HA H 22 3.952 3.952 4.068 -0.116 17832 2435 1 7 . 1 1 25 25 ARG C C 22 174.899 174.899 177.378 -2.479 17832 2436 1 7 . 1 1 25 25 ARG CA C 22 56.097 56.097 58.850 -2.753 17832 2437 1 7 . 1 1 25 25 ARG CB C 22 27.473 27.473 30.172 -2.699 17832 2438 1 7 . 1 1 25 25 ARG H H 22 7.633 7.633 7.797 -0.164 17832 2439 1 7 . 1 1 26 26 VAL N N 23 115.006 115.006 118.564 -3.558 17832 2440 1 7 . 1 1 26 26 VAL HA H 23 3.995 3.995 3.944 0.051 17832 2441 1 7 . 1 1 26 26 VAL C C 23 173.187 173.187 176.427 -3.240 17832 2442 1 7 . 1 1 26 26 VAL CA C 23 61.107 61.107 64.738 -3.631 17832 2443 1 7 . 1 1 26 26 VAL CB C 23 29.977 29.977 32.498 -2.521 17832 2444 1 7 . 1 1 26 26 VAL H H 23 6.886 6.886 7.534 -0.648 17832 2445 1 7 . 1 1 27 27 LEU N N 24 120.940 120.940 119.817 1.123 17832 2446 1 7 . 1 1 27 27 LEU HA H 24 4.930 4.930 4.865 0.065 17832 2447 1 7 . 1 1 27 27 LEU C C 24 171.363 171.363 175.325 -3.962 17832 2448 1 7 . 1 1 27 27 LEU CA C 24 48.752 48.752 52.604 -3.852 17832 2449 1 7 . 1 1 27 27 LEU CB C 24 40.669 40.669 43.173 -2.504 17832 2450 1 7 . 1 1 27 27 LEU H H 24 8.338 8.338 7.296 1.042 17832 2451 1 7 . 1 1 28 28 PRO HA H 25 4.767 4.767 4.474 0.293 17832 2452 1 7 . 1 1 28 28 PRO C C 25 176.742 176.742 177.379 -0.637 17832 2453 1 7 . 1 1 28 28 PRO CA C 25 63.453 63.453 64.709 -1.256 17832 2454 1 7 . 1 1 28 28 PRO CB C 25 29.004 29.004 31.782 -2.778 17832 2455 1 7 . 1 1 29 29 SER N N 26 111.726 111.726 113.318 -1.592 17832 2456 1 7 . 1 1 29 29 SER HA H 26 4.422 4.422 4.400 0.022 17832 2457 1 7 . 1 1 29 29 SER C C 26 172.811 172.811 176.591 -3.780 17832 2458 1 7 . 1 1 29 29 SER CA C 26 57.331 57.331 59.629 -2.298 17832 2459 1 7 . 1 1 29 29 SER CB C 26 59.552 59.552 62.506 -2.954 17832 2460 1 7 . 1 1 29 29 SER H H 26 8.279 8.279 8.325 -0.046 17832 2461 1 7 . 1 1 30 30 SER N N 27 116.503 116.503 120.368 -3.865 17832 2462 1 7 . 1 1 30 30 SER HA H 27 4.103 4.103 4.142 -0.039 17832 2463 1 7 . 1 1 30 30 SER C C 27 174.324 174.324 176.466 -2.142 17832 2464 1 7 . 1 1 30 30 SER CA C 27 58.661 58.661 60.877 -2.216 17832 2465 1 7 . 1 1 30 30 SER CB C 27 61.593 61.593 62.998 -1.405 17832 2466 1 7 . 1 1 30 30 SER H H 27 8.642 8.642 8.051 0.591 17832 2467 1 7 . 1 1 31 31 LEU N N 28 126.322 126.322 121.651 4.671 17832 2468 1 7 . 1 1 31 31 LEU HA H 28 4.281 4.281 4.135 0.146 17832 2469 1 7 . 1 1 31 31 LEU C C 28 175.385 175.385 178.242 -2.857 17832 2470 1 7 . 1 1 31 31 LEU CA C 28 56.992 56.992 58.179 -1.187 17832 2471 1 7 . 1 1 31 31 LEU CB C 28 38.241 38.241 41.757 -3.516 17832 2472 1 7 . 1 1 31 31 LEU H H 28 7.634 7.634 7.705 -0.071 17832 2473 1 7 . 1 1 32 32 GLU N N 29 114.812 114.812 119.057 -4.245 17832 2474 1 7 . 1 1 32 32 GLU HA H 29 4.230 4.230 3.929 0.301 17832 2475 1 7 . 1 1 32 32 GLU C C 29 175.711 175.711 179.092 -3.381 17832 2476 1 7 . 1 1 32 32 GLU CA C 29 56.205 56.205 59.167 -2.962 17832 2477 1 7 . 1 1 32 32 GLU CB C 29 26.903 26.903 29.491 -2.588 17832 2478 1 7 . 1 1 32 32 GLU H H 29 8.283 8.283 7.591 0.692 17832 2479 1 7 . 1 1 33 33 ILE N N 30 121.972 121.972 119.417 2.555 17832 2480 1 7 . 1 1 33 33 ILE HA H 30 3.773 3.773 3.669 0.104 17832 2481 1 7 . 1 1 33 33 ILE C C 30 175.177 175.177 178.108 -2.931 17832 2482 1 7 . 1 1 33 33 ILE CA C 30 62.116 62.116 64.575 -2.459 17832 2483 1 7 . 1 1 33 33 ILE CB C 30 35.018 35.018 37.887 -2.869 17832 2484 1 7 . 1 1 33 33 ILE H H 30 7.477 7.477 7.530 -0.053 17832 2485 1 7 . 1 1 34 34 PHE N N 31 117.727 117.727 118.094 -0.367 17832 2486 1 7 . 1 1 34 34 PHE HA H 31 4.208 4.208 4.162 0.046 17832 2487 1 7 . 1 1 34 34 PHE C C 31 174.731 174.731 177.846 -3.115 17832 2488 1 7 . 1 1 34 34 PHE CA C 31 61.035 61.035 60.735 0.300 17832 2489 1 7 . 1 1 34 34 PHE CB C 31 36.224 36.224 37.844 -1.621 17832 2490 1 7 . 1 1 34 34 PHE H H 31 8.137 8.137 7.238 0.899 17832 2491 1 7 . 1 1 35 35 GLU N N 32 118.271 118.271 119.941 -1.670 17832 2492 1 7 . 1 1 35 35 GLU HA H 32 2.721 2.721 4.262 -1.541 17832 2493 1 7 . 1 1 35 35 GLU C C 32 174.785 174.785 178.766 -3.981 17832 2494 1 7 . 1 1 35 35 GLU CA C 32 57.304 57.304 60.339 -3.034 17832 2495 1 7 . 1 1 35 35 GLU CB C 32 26.997 26.997 29.530 -2.533 17832 2496 1 7 . 1 1 35 35 GLU H H 32 8.249 8.249 8.564 -0.315 17832 2497 1 7 . 1 1 36 36 GLU N N 33 119.678 119.678 118.884 0.794 17832 2498 1 7 . 1 1 36 36 GLU HA H 33 3.887 3.887 4.110 -0.223 17832 2499 1 7 . 1 1 36 36 GLU C C 33 176.760 176.760 179.027 -2.267 17832 2500 1 7 . 1 1 36 36 GLU CA C 33 57.241 57.241 58.121 -0.880 17832 2501 1 7 . 1 1 36 36 GLU CB C 33 26.806 26.806 29.504 -2.698 17832 2502 1 7 . 1 1 36 36 GLU H H 33 7.971 7.971 7.757 0.214 17832 2503 1 7 . 1 1 37 37 LEU N N 34 120.144 120.144 121.917 -1.773 17832 2504 1 7 . 1 1 37 37 LEU HA H 34 4.280 4.280 4.096 0.184 17832 2505 1 7 . 1 1 37 37 LEU C C 34 174.327 174.327 178.473 -4.146 17832 2506 1 7 . 1 1 37 37 LEU CA C 34 55.502 55.502 57.775 -2.273 17832 2507 1 7 . 1 1 37 37 LEU CB C 34 39.354 39.354 42.416 -3.062 17832 2508 1 7 . 1 1 37 37 LEU H H 34 8.278 8.278 7.555 0.723 17832 2509 1 7 . 1 1 38 38 TYR N N 35 119.703 119.703 117.093 2.610 17832 2510 1 7 . 1 1 38 38 TYR HA H 35 4.070 4.070 4.209 -0.139 17832 2511 1 7 . 1 1 38 38 TYR C C 35 173.298 173.298 177.572 -4.274 17832 2512 1 7 . 1 1 38 38 TYR CA C 35 59.098 59.098 60.638 -1.540 17832 2513 1 7 . 1 1 38 38 TYR CB C 35 36.534 36.534 37.860 -1.326 17832 2514 1 7 . 1 1 38 38 TYR H H 35 8.417 8.417 8.581 -0.164 17832 2515 1 7 . 1 1 39 39 LYS N N 36 115.392 115.392 119.322 -3.930 17832 2516 1 7 . 1 1 39 39 LYS HA H 36 3.621 3.621 3.535 0.086 17832 2517 1 7 . 1 1 39 39 LYS C C 36 176.456 176.456 177.998 -1.542 17832 2518 1 7 . 1 1 39 39 LYS CA C 36 57.011 57.011 58.413 -1.403 17832 2519 1 7 . 1 1 39 39 LYS CB C 36 29.694 29.694 32.055 -2.361 17832 2520 1 7 . 1 1 39 39 LYS H H 36 8.441 8.441 7.162 1.279 17832 2521 1 7 . 1 1 40 40 TYR N N 37 120.325 120.325 120.849 -0.524 17832 2522 1 7 . 1 1 40 40 TYR HA H 37 4.078 4.078 4.013 0.065 17832 2523 1 7 . 1 1 40 40 TYR C C 37 175.043 175.043 176.931 -1.888 17832 2524 1 7 . 1 1 40 40 TYR CA C 37 58.971 58.971 61.577 -2.606 17832 2525 1 7 . 1 1 40 40 TYR CB C 37 35.875 35.875 38.426 -2.551 17832 2526 1 7 . 1 1 40 40 TYR H H 37 8.344 8.344 7.733 0.611 17832 2527 1 7 . 1 1 41 41 ALA N N 38 121.802 121.802 120.536 1.266 17832 2528 1 7 . 1 1 41 41 ALA HA H 38 3.746 3.746 4.125 -0.379 17832 2529 1 7 . 1 1 41 41 ALA C C 38 175.962 175.962 179.178 -3.216 17832 2530 1 7 . 1 1 41 41 ALA CA C 38 51.780 51.780 54.602 -2.822 17832 2531 1 7 . 1 1 41 41 ALA CB C 38 17.381 17.381 18.186 -0.805 17832 2532 1 7 . 1 1 41 41 ALA H H 38 8.291 8.291 7.642 0.649 17832 2533 1 7 . 1 1 42 42 LEU N N 39 116.563 116.563 117.682 -1.119 17832 2534 1 7 . 1 1 42 42 LEU HA H 39 3.820 3.820 4.014 -0.194 17832 2535 1 7 . 1 1 42 42 LEU C C 39 176.020 176.020 179.230 -3.210 17832 2536 1 7 . 1 1 42 42 LEU CA C 39 54.011 54.011 57.129 -3.118 17832 2537 1 7 . 1 1 42 42 LEU CB C 39 39.796 39.796 41.904 -2.108 17832 2538 1 7 . 1 1 42 42 LEU H H 39 7.865 7.865 7.397 0.468 17832 2539 1 7 . 1 1 43 43 ASN N N 40 115.561 115.561 118.131 -2.570 17832 2540 1 7 . 1 1 43 43 ASN HA H 40 4.436 4.436 4.474 -0.038 17832 2541 1 7 . 1 1 43 43 ASN C C 40 173.390 173.390 177.383 -3.993 17832 2542 1 7 . 1 1 43 43 ASN CA C 40 51.492 51.492 54.914 -3.422 17832 2543 1 7 . 1 1 43 43 ASN CB C 40 36.401 36.401 38.194 -1.793 17832 2544 1 7 . 1 1 43 43 ASN H H 40 7.467 7.467 7.866 -0.399 17832 2545 1 7 . 1 1 44 44 GLU N N 41 120.609 120.609 118.426 2.183 17832 2546 1 7 . 1 1 44 44 GLU HA H 41 3.986 3.986 3.808 0.178 17832 2547 1 7 . 1 1 44 44 GLU C C 41 174.161 174.161 177.260 -3.099 17832 2548 1 7 . 1 1 44 44 GLU CA C 41 54.775 54.775 58.636 -3.861 17832 2549 1 7 . 1 1 44 44 GLU CB C 41 27.094 27.094 29.014 -1.920 17832 2550 1 7 . 1 1 44 44 GLU H H 41 7.817 7.817 7.424 0.393 17832 2551 1 7 . 1 1 45 45 ASN N N 42 118.453 118.453 116.867 1.586 17832 2552 1 7 . 1 1 45 45 ASN HA H 42 4.618 4.618 4.536 0.082 17832 2553 1 7 . 1 1 45 45 ASN C C 42 172.912 172.912 175.713 -2.801 17832 2554 1 7 . 1 1 45 45 ASN CA C 42 50.988 50.988 54.376 -3.388 17832 2555 1 7 . 1 1 45 45 ASN CB C 42 36.267 36.267 39.209 -2.942 17832 2556 1 7 . 1 1 45 45 ASN H H 42 8.087 8.087 7.600 0.487 17832 2557 1 7 . 1 1 46 46 SER N N 43 115.581 115.581 115.635 -0.054 17832 2558 1 7 . 1 1 46 46 SER HA H 43 4.292 4.292 4.394 -0.102 17832 2559 1 7 . 1 1 46 46 SER C C 43 172.136 172.136 173.333 -1.197 17832 2560 1 7 . 1 1 46 46 SER CA C 43 56.202 56.202 58.854 -2.652 17832 2561 1 7 . 1 1 46 46 SER CB C 43 60.909 60.909 63.769 -2.860 17832 2562 1 7 . 1 1 46 46 SER H H 43 8.062 8.062 7.696 0.366 17832 2563 1 7 . 1 1 47 47 ASN N N 44 120.517 120.517 121.286 -0.769 17832 2564 1 7 . 1 1 47 47 ASN HA H 44 4.617 4.617 4.737 -0.120 17832 2565 1 7 . 1 1 47 47 ASN C C 44 172.545 172.545 174.160 -1.615 17832 2566 1 7 . 1 1 47 47 ASN CA C 44 51.174 51.174 53.022 -1.848 17832 2567 1 7 . 1 1 47 47 ASN CB C 44 36.208 36.208 38.409 -2.201 17832 2568 1 7 . 1 1 47 47 ASN H H 44 8.329 8.329 8.754 -0.424 17832 2569 1 7 . 1 1 48 48 ASP N N 45 120.294 120.294 124.056 -3.762 17832 2570 1 7 . 1 1 48 48 ASP HA H 45 4.500 4.500 4.662 -0.162 17832 2571 1 7 . 1 1 48 48 ASP C C 45 173.835 173.835 175.770 -1.935 17832 2572 1 7 . 1 1 48 48 ASP CA C 45 52.030 52.030 54.085 -2.055 17832 2573 1 7 . 1 1 48 48 ASP CB C 45 38.326 38.326 41.108 -2.782 17832 2574 1 7 . 1 1 48 48 ASP H H 45 8.220 8.220 8.391 -0.171 17832 2575 1 7 . 1 1 49 49 ARG N N 46 121.139 121.139 122.269 -1.130 17832 2576 1 7 . 1 1 49 49 ARG HA H 46 4.274 4.274 4.310 -0.036 17832 2577 1 7 . 1 1 49 49 ARG C C 46 174.032 174.032 175.559 -1.527 17832 2578 1 7 . 1 1 49 49 ARG CA C 46 53.425 53.425 56.307 -2.882 17832 2579 1 7 . 1 1 49 49 ARG CB C 46 27.615 27.615 28.975 -1.360 17832 2580 1 7 . 1 1 49 49 ARG H H 46 8.180 8.180 8.373 -0.193 17832 2581 1 7 . 1 1 50 50 SER N N 47 116.289 116.289 116.641 -0.352 17832 2582 1 7 . 1 1 50 50 SER HA H 47 4.269 4.269 4.555 -0.286 17832 2583 1 7 . 1 1 50 50 SER C C 47 172.337 172.337 173.071 -0.734 17832 2584 1 7 . 1 1 50 50 SER CA C 47 56.379 56.379 58.217 -1.837 17832 2585 1 7 . 1 1 50 50 SER CB C 47 60.970 60.970 63.816 -2.846 17832 2586 1 7 . 1 1 50 50 SER H H 47 8.236 8.236 8.124 0.112 17832 2587 1 7 . 1 1 51 51 GLU N N 48 122.019 122.019 124.378 -2.359 17832 2588 1 7 . 1 1 51 51 GLU HA H 48 4.134 4.134 4.507 -0.373 17832 2589 1 7 . 1 1 51 51 GLU C C 48 174.002 174.002 174.794 -0.792 17832 2590 1 7 . 1 1 51 51 GLU CA C 48 54.285 54.285 56.644 -2.359 17832 2591 1 7 . 1 1 51 51 GLU CB C 48 27.192 27.192 31.573 -4.381 17832 2592 1 7 . 1 1 51 51 GLU H H 48 8.423 8.423 8.273 0.150 17832 2593 1 7 . 1 1 52 52 HIS N N 49 119.075 119.075 120.905 -1.830 17832 2594 1 7 . 1 1 52 52 HIS HA H 49 4.486 4.486 4.927 -0.441 17832 2595 1 7 . 1 1 52 52 HIS C C 49 172.663 172.663 174.074 -1.411 17832 2596 1 7 . 1 1 52 52 HIS CA C 49 53.775 53.775 56.274 -2.499 17832 2597 1 7 . 1 1 52 52 HIS CB C 49 27.714 27.714 30.607 -2.893 17832 2598 1 7 . 1 1 52 52 HIS H H 49 8.117 8.117 8.460 -0.343 17832 2599 1 7 . 1 1 53 53 HIS N N 50 119.483 119.483 122.950 -3.467 17832 2600 1 7 . 1 1 53 53 HIS HA H 50 4.538 4.538 4.752 -0.214 17832 2601 1 7 . 1 1 53 53 HIS C C 50 172.355 172.355 174.759 -2.404 17832 2602 1 7 . 1 1 53 53 HIS CA C 50 53.433 53.433 55.395 -1.962 17832 2603 1 7 . 1 1 53 53 HIS CB C 50 27.694 27.694 31.193 -3.499 17832 2604 1 7 . 1 1 53 53 HIS H H 50 8.068 8.068 8.540 -0.472 17832 2605 1 7 . 1 1 54 54 LYS N N 51 122.136 122.136 125.239 -3.103 17832 2606 1 7 . 1 1 54 54 LYS HA H 51 4.215 4.215 4.154 0.061 17832 2607 1 7 . 1 1 54 54 LYS C C 51 173.474 173.474 175.611 -2.137 17832 2608 1 7 . 1 1 54 54 LYS CA C 51 53.445 53.445 56.674 -3.229 17832 2609 1 7 . 1 1 54 54 LYS CB C 51 30.329 30.329 32.492 -2.163 17832 2610 1 7 . 1 1 54 54 LYS H H 51 8.121 8.121 8.594 -0.473 17832 2611 1 7 . 1 1 55 55 LYS N N 52 124.022 124.022 122.711 1.311 17832 2612 1 7 . 1 1 55 55 LYS HA H 52 4.508 4.508 4.332 0.176 17832 2613 1 7 . 1 1 55 55 LYS C C 52 171.685 171.685 174.079 -2.394 17832 2614 1 7 . 1 1 55 55 LYS CA C 52 51.516 51.516 56.849 -5.333 17832 2615 1 7 . 1 1 55 55 LYS CB C 52 29.818 29.818 32.847 -3.029 17832 2616 1 7 . 1 1 55 55 LYS H H 52 8.262 8.262 8.346 -0.084 17832 2617 1 7 . 1 1 56 56 PRO HA H 53 4.340 4.340 4.416 -0.076 17832 2618 1 7 . 1 1 56 56 PRO C C 53 173.830 173.830 176.171 -2.341 17832 2619 1 7 . 1 1 56 56 PRO CA C 53 60.496 60.496 63.513 -3.017 17832 2620 1 7 . 1 1 56 56 PRO CB C 53 29.444 29.444 30.739 -1.295 17832 2621 1 7 . 1 1 57 57 ARG N N 54 121.870 121.870 122.296 -0.426 17832 2622 1 7 . 1 1 57 57 ARG HA H 54 4.279 4.279 4.567 -0.288 17832 2623 1 7 . 1 1 57 57 ARG C C 54 173.560 173.560 175.895 -2.335 17832 2624 1 7 . 1 1 57 57 ARG CA C 54 53.172 53.172 54.918 -1.746 17832 2625 1 7 . 1 1 57 57 ARG CB C 54 28.273 28.273 32.650 -4.377 17832 2626 1 7 . 1 1 57 57 ARG H H 54 8.396 8.396 8.109 0.287 17832 2627 1 7 . 1 1 58 58 ILE N N 55 122.683 122.683 119.560 3.123 17832 2628 1 7 . 1 1 58 58 ILE HA H 55 4.117 4.117 4.328 -0.211 17832 2629 1 7 . 1 1 58 58 ILE C C 55 173.034 173.034 175.487 -2.453 17832 2630 1 7 . 1 1 58 58 ILE CA C 55 58.378 58.378 61.435 -3.058 17832 2631 1 7 . 1 1 58 58 ILE CB C 55 36.113 36.113 39.184 -3.071 17832 2632 1 7 . 1 1 58 58 ILE H H 55 8.258 8.258 8.535 -0.277 17832 2633 1 7 . 1 1 59 59 ASP N N 56 123.975 123.975 124.970 -0.995 17832 2634 1 7 . 1 1 59 59 ASP HA H 56 4.581 4.581 4.656 -0.075 17832 2635 1 7 . 1 1 59 59 ASP C C 56 172.780 172.780 175.218 -2.438 17832 2636 1 7 . 1 1 59 59 ASP CA C 56 51.525 51.525 54.367 -2.842 17832 2637 1 7 . 1 1 59 59 ASP CB C 56 38.460 38.460 42.101 -3.641 17832 2638 1 7 . 1 1 59 59 ASP H H 56 8.364 8.364 8.861 -0.497 17832 2639 1 7 . 1 1 60 60 ASP N N 57 121.471 121.471 118.636 2.835 17832 2640 1 7 . 1 1 60 60 ASP HA H 57 4.563 4.563 4.779 -0.216 17832 2641 1 7 . 1 1 60 60 ASP C C 57 173.851 173.851 175.449 -1.598 17832 2642 1 7 . 1 1 60 60 ASP CA C 57 51.586 51.586 55.200 -3.614 17832 2643 1 7 . 1 1 60 60 ASP CB C 57 38.468 38.468 41.314 -2.846 17832 2644 1 7 . 1 1 60 60 ASP H H 57 8.393 8.393 7.850 0.543 17832 2645 1 7 . 1 1 61 61 SER N N 58 116.207 116.207 117.508 -1.301 17832 2646 1 7 . 1 1 61 61 SER C C 58 172.389 172.389 173.831 -1.442 17832 2647 1 7 . 1 1 61 61 SER CA C 58 56.129 56.129 58.361 -2.232 17832 2648 1 7 . 1 1 61 61 SER CB C 58 60.945 60.945 64.780 -3.835 17832 2649 1 7 . 1 1 61 61 SER H H 58 8.331 8.331 8.332 -0.001 17832 2650 1 7 . 1 1 62 62 SER N N 59 117.805 117.805 117.593 0.212 17832 2651 1 7 . 1 1 62 62 SER C C 59 171.778 171.778 173.558 -1.780 17832 2652 1 7 . 1 1 62 62 SER CA C 59 56.290 56.290 57.668 -1.378 17832 2653 1 7 . 1 1 62 62 SER CB C 59 60.930 60.930 64.165 -3.235 17832 2654 1 7 . 1 1 62 62 SER H H 59 8.334 8.334 8.045 0.289 17832 2655 1 7 . 1 1 63 63 ASP N N 60 122.124 122.124 124.194 -2.070 17832 2656 1 7 . 1 1 63 63 ASP HA H 60 4.512 4.512 4.419 0.093 17832 2657 1 7 . 1 1 63 63 ASP C C 60 173.550 173.550 176.095 -2.545 17832 2658 1 7 . 1 1 63 63 ASP CA C 60 51.916 51.916 54.692 -2.776 17832 2659 1 7 . 1 1 63 63 ASP CB C 60 38.264 38.264 40.605 -2.341 17832 2660 1 7 . 1 1 63 63 ASP H H 60 8.278 8.278 8.618 -0.340 17832 2661 1 7 . 1 1 64 64 LEU N N 61 121.450 121.450 118.314 3.136 17832 2662 1 7 . 1 1 64 64 LEU HA H 61 4.223 4.223 3.963 0.260 17832 2663 1 7 . 1 1 64 64 LEU C C 61 174.603 174.603 175.466 -0.863 17832 2664 1 7 . 1 1 64 64 LEU CA C 61 52.640 52.640 54.922 -2.282 17832 2665 1 7 . 1 1 64 64 LEU CB C 61 39.502 39.502 42.501 -2.999 17832 2666 1 7 . 1 1 64 64 LEU H H 61 7.931 7.931 7.958 -0.027 17832 2667 1 7 . 1 1 65 65 LEU N N 62 122.042 122.042 124.005 -1.963 17832 2668 1 7 . 1 1 65 65 LEU HA H 62 4.273 4.273 4.650 -0.377 17832 2669 1 7 . 1 1 65 65 LEU C C 62 174.372 174.372 176.199 -1.827 17832 2670 1 7 . 1 1 65 65 LEU CA C 62 52.339 52.339 54.877 -2.538 17832 2671 1 7 . 1 1 65 65 LEU CB C 62 39.426 39.426 41.921 -2.495 17832 2672 1 7 . 1 1 65 65 LEU H H 62 8.023 8.023 8.467 -0.444 17832 2673 1 7 . 1 1 66 66 LYS N N 63 122.782 122.782 122.466 0.316 17832 2674 1 7 . 1 1 66 66 LYS HA H 63 4.349 4.349 4.679 -0.330 17832 2675 1 7 . 1 1 66 66 LYS C C 63 173.936 173.936 176.277 -2.341 17832 2676 1 7 . 1 1 66 66 LYS CA C 63 53.305 53.305 55.547 -2.242 17832 2677 1 7 . 1 1 66 66 LYS CB C 63 30.305 30.305 33.648 -3.342 17832 2678 1 7 . 1 1 66 66 LYS H H 63 8.145 8.145 8.084 0.061 17832 2679 1 7 . 1 1 67 67 THR N N 64 115.478 115.478 114.967 0.511 17832 2680 1 7 . 1 1 67 67 THR HA H 64 4.298 4.298 4.533 -0.235 17832 2681 1 7 . 1 1 67 67 THR C C 64 171.473 171.473 173.762 -2.289 17832 2682 1 7 . 1 1 67 67 THR CA C 64 58.943 58.943 62.162 -3.219 17832 2683 1 7 . 1 1 67 67 THR CB C 64 67.038 67.038 68.890 -1.852 17832 2684 1 7 . 1 1 67 67 THR H H 64 8.196 8.196 8.217 -0.021 17832 2685 1 7 . 1 1 68 68 ASP N N 65 122.013 122.013 121.876 0.137 17832 2686 1 7 . 1 1 68 68 ASP C C 65 173.191 173.191 174.993 -1.802 17832 2687 1 7 . 1 1 68 68 ASP CA C 65 51.628 51.628 54.035 -2.406 17832 2688 1 7 . 1 1 68 68 ASP CB C 65 38.495 38.495 40.864 -2.369 17832 2689 1 7 . 1 1 68 68 ASP H H 65 8.307 8.307 8.090 0.217 17832 2690 1 7 . 1 1 69 69 GLU N N 66 121.260 121.260 120.202 1.058 17832 2691 1 7 . 1 1 69 69 GLU HA H 66 4.235 4.235 4.254 -0.019 17832 2692 1 7 . 1 1 69 69 GLU C C 66 172.706 172.706 175.875 -3.169 17832 2693 1 7 . 1 1 69 69 GLU CA C 66 53.881 53.881 57.669 -3.788 17832 2694 1 7 . 1 1 69 69 GLU CB C 66 27.731 27.731 30.340 -2.609 17832 2695 1 7 . 1 1 69 69 GLU H H 66 8.216 8.216 8.032 0.184 17832 2696 1 8 . 1 1 3 3 MET C C 0 173.346 173.346 175.654 -2.308 17832 2697 1 8 . 1 1 3 3 MET CA C 0 52.930 52.930 55.381 -2.451 17832 2698 1 8 . 1 1 3 3 MET CB C 0 29.966 29.966 31.163 -1.197 17832 2699 1 8 . 1 1 4 4 MET N N 1 121.822 121.822 122.193 -0.371 17832 2700 1 8 . 1 1 4 4 MET HA H 1 4.378 4.378 4.773 -0.395 17832 2701 1 8 . 1 1 4 4 MET C C 1 173.585 173.585 176.947 -3.362 17832 2702 1 8 . 1 1 4 4 MET CA C 1 52.943 52.943 54.785 -1.841 17832 2703 1 8 . 1 1 4 4 MET CB C 1 30.112 30.112 34.879 -4.767 17832 2704 1 8 . 1 1 4 4 MET H H 1 8.553 8.553 8.329 0.224 17832 2705 1 8 . 1 1 5 5 SER N N 2 117.291 117.291 118.323 -1.032 17832 2706 1 8 . 1 1 5 5 SER HA H 2 4.402 4.402 4.770 -0.368 17832 2707 1 8 . 1 1 5 5 SER C C 2 171.427 171.427 173.563 -2.136 17832 2708 1 8 . 1 1 5 5 SER CA C 2 55.920 55.920 58.666 -2.746 17832 2709 1 8 . 1 1 5 5 SER CB C 2 61.033 61.033 62.134 -1.101 17832 2710 1 8 . 1 1 5 5 SER H H 2 8.337 8.337 8.652 -0.315 17832 2711 1 8 . 1 1 6 6 LYS N N 3 121.932 121.932 123.814 -1.882 17832 2712 1 8 . 1 1 6 6 LYS HA H 3 4.282 4.282 4.521 -0.239 17832 2713 1 8 . 1 1 6 6 LYS C C 3 173.822 173.822 175.930 -2.108 17832 2714 1 8 . 1 1 6 6 LYS CA C 3 53.556 53.556 57.097 -3.541 17832 2715 1 8 . 1 1 6 6 LYS CB C 3 30.569 30.569 33.348 -2.779 17832 2716 1 8 . 1 1 6 6 LYS H H 3 8.216 8.216 8.325 -0.109 17832 2717 1 8 . 1 1 7 7 LEU N N 4 123.131 123.131 121.722 1.409 17832 2718 1 8 . 1 1 7 7 LEU HA H 4 4.310 4.310 4.224 0.086 17832 2719 1 8 . 1 1 7 7 LEU C C 4 176.226 176.226 178.466 -2.240 17832 2720 1 8 . 1 1 7 7 LEU CA C 4 52.753 52.753 57.016 -4.263 17832 2721 1 8 . 1 1 7 7 LEU CB C 4 39.626 39.626 42.289 -2.663 17832 2722 1 8 . 1 1 7 7 LEU H H 4 8.301 8.301 8.358 -0.057 17832 2723 1 8 . 1 1 8 8 PHE N N 5 122.547 122.547 120.405 2.142 17832 2724 1 8 . 1 1 8 8 PHE HA H 5 4.313 4.313 4.268 0.045 17832 2725 1 8 . 1 1 8 8 PHE CA C 5 56.963 56.963 61.325 -4.362 17832 2726 1 8 . 1 1 8 8 PHE CB C 5 35.205 35.205 38.616 -3.411 17832 2727 1 8 . 1 1 8 8 PHE H H 5 8.764 8.764 8.262 0.502 17832 2728 1 8 . 1 1 9 9 LEU HA H 6 3.079 3.079 4.079 -1.000 17832 2729 1 8 . 1 1 9 9 LEU C C 6 175.830 175.830 178.220 -2.390 17832 2730 1 8 . 1 1 9 9 LEU CA C 6 54.075 54.075 57.404 -3.329 17832 2731 1 8 . 1 1 9 9 LEU CB C 6 38.429 38.429 41.519 -3.090 17832 2732 1 8 . 1 1 10 10 ASP N N 7 116.164 116.164 118.231 -2.067 17832 2733 1 8 . 1 1 10 10 ASP HA H 7 4.294 4.294 4.414 -0.120 17832 2734 1 8 . 1 1 10 10 ASP C C 7 174.240 174.240 176.602 -2.362 17832 2735 1 8 . 1 1 10 10 ASP CA C 7 53.201 53.201 56.334 -3.133 17832 2736 1 8 . 1 1 10 10 ASP CB C 7 37.826 37.826 40.860 -3.034 17832 2737 1 8 . 1 1 10 10 ASP H H 7 7.488 7.488 7.691 -0.203 17832 2738 1 8 . 1 1 11 11 GLU N N 8 116.711 116.711 118.128 -1.417 17832 2739 1 8 . 1 1 11 11 GLU HA H 8 4.296 4.296 4.295 0.001 17832 2740 1 8 . 1 1 11 11 GLU C C 8 173.322 173.322 175.689 -2.367 17832 2741 1 8 . 1 1 11 11 GLU CA C 8 53.231 53.231 55.749 -2.518 17832 2742 1 8 . 1 1 11 11 GLU CB C 8 27.333 27.333 29.257 -1.924 17832 2743 1 8 . 1 1 11 11 GLU H H 8 7.496 7.496 7.700 -0.204 17832 2744 1 8 . 1 1 12 12 LEU N N 9 117.751 117.751 120.484 -2.733 17832 2745 1 8 . 1 1 12 12 LEU HA H 9 4.313 4.313 4.664 -0.351 17832 2746 1 8 . 1 1 12 12 LEU C C 9 171.541 171.541 174.296 -2.755 17832 2747 1 8 . 1 1 12 12 LEU CA C 9 49.264 49.264 51.483 -2.219 17832 2748 1 8 . 1 1 12 12 LEU CB C 9 38.581 38.581 43.961 -5.380 17832 2749 1 8 . 1 1 12 12 LEU H H 9 6.803 6.803 7.493 -0.690 17832 2750 1 8 . 1 1 13 13 PRO HA H 10 4.311 4.311 4.640 -0.329 17832 2751 1 8 . 1 1 13 13 PRO C C 10 174.746 174.746 177.626 -2.880 17832 2752 1 8 . 1 1 13 13 PRO CA C 10 60.083 60.083 62.280 -2.197 17832 2753 1 8 . 1 1 13 13 PRO CB C 10 29.131 29.131 32.628 -3.497 17832 2754 1 8 . 1 1 14 14 GLU N N 11 125.693 125.693 122.387 3.306 17832 2755 1 8 . 1 1 14 14 GLU HA H 11 3.854 3.854 3.940 -0.086 17832 2756 1 8 . 1 1 14 14 GLU C C 11 175.180 175.180 178.578 -3.398 17832 2757 1 8 . 1 1 14 14 GLU CA C 11 57.035 57.035 59.877 -2.842 17832 2758 1 8 . 1 1 14 14 GLU CB C 11 26.761 26.761 28.892 -2.131 17832 2759 1 8 . 1 1 14 14 GLU H H 11 8.777 8.777 9.004 -0.227 17832 2760 1 8 . 1 1 15 15 SER N N 12 111.734 111.734 115.524 -3.790 17832 2761 1 8 . 1 1 15 15 SER HA H 12 3.884 3.884 4.238 -0.354 17832 2762 1 8 . 1 1 15 15 SER C C 12 173.687 173.687 176.310 -2.623 17832 2763 1 8 . 1 1 15 15 SER CA C 12 58.230 58.230 61.292 -3.062 17832 2764 1 8 . 1 1 15 15 SER CB C 12 58.977 58.977 62.750 -3.773 17832 2765 1 8 . 1 1 15 15 SER H H 12 8.563 8.563 8.343 0.220 17832 2766 1 8 . 1 1 16 16 LEU N N 13 122.925 122.925 120.576 2.349 17832 2767 1 8 . 1 1 16 16 LEU HA H 13 4.081 4.081 4.154 -0.073 17832 2768 1 8 . 1 1 16 16 LEU C C 13 175.385 175.385 178.381 -2.996 17832 2769 1 8 . 1 1 16 16 LEU CA C 13 54.057 54.057 56.912 -2.855 17832 2770 1 8 . 1 1 16 16 LEU CB C 13 39.498 39.498 42.061 -2.563 17832 2771 1 8 . 1 1 16 16 LEU H H 13 6.828 6.828 7.366 -0.538 17832 2772 1 8 . 1 1 17 17 SER N N 14 114.839 114.839 114.831 0.008 17832 2773 1 8 . 1 1 17 17 SER HA H 14 3.585 3.585 4.098 -0.513 17832 2774 1 8 . 1 1 17 17 SER C C 14 175.435 175.435 176.784 -1.349 17832 2775 1 8 . 1 1 17 17 SER CA C 14 58.835 58.835 61.959 -3.124 17832 2776 1 8 . 1 1 17 17 SER CB C 14 59.345 59.345 62.971 -3.626 17832 2777 1 8 . 1 1 17 17 SER H H 14 8.266 8.266 8.680 -0.414 17832 2778 1 8 . 1 1 18 18 ARG N N 15 121.474 121.474 120.675 0.799 17832 2779 1 8 . 1 1 18 18 ARG HA H 15 3.897 3.897 4.047 -0.150 17832 2780 1 8 . 1 1 18 18 ARG C C 15 176.749 176.749 178.694 -1.945 17832 2781 1 8 . 1 1 18 18 ARG CA C 15 56.827 56.827 59.503 -2.676 17832 2782 1 8 . 1 1 18 18 ARG CB C 15 27.154 27.154 30.266 -3.112 17832 2783 1 8 . 1 1 18 18 ARG H H 15 8.385 8.385 7.686 0.699 17832 2784 1 8 . 1 1 19 19 LYS N N 16 119.494 119.494 119.753 -0.259 17832 2785 1 8 . 1 1 19 19 LYS HA H 16 3.947 3.947 4.210 -0.263 17832 2786 1 8 . 1 1 19 19 LYS C C 16 177.319 177.319 179.059 -1.740 17832 2787 1 8 . 1 1 19 19 LYS CA C 16 57.412 57.412 59.287 -1.875 17832 2788 1 8 . 1 1 19 19 LYS CB C 16 30.432 30.432 32.498 -2.066 17832 2789 1 8 . 1 1 19 19 LYS H H 16 7.269 7.269 7.586 -0.317 17832 2790 1 8 . 1 1 20 20 ILE N N 17 120.972 120.972 120.139 0.833 17832 2791 1 8 . 1 1 20 20 ILE HA H 17 2.813 2.813 3.660 -0.847 17832 2792 1 8 . 1 1 20 20 ILE C C 17 175.324 175.324 177.970 -2.646 17832 2793 1 8 . 1 1 20 20 ILE CA C 17 63.012 63.012 65.538 -2.526 17832 2794 1 8 . 1 1 20 20 ILE CB C 17 34.710 34.710 37.647 -2.937 17832 2795 1 8 . 1 1 20 20 ILE H H 17 7.993 7.993 8.845 -0.852 17832 2796 1 8 . 1 1 21 21 GLY N N 18 106.894 106.894 105.938 0.956 17832 2797 1 8 . 1 1 21 21 GLY C C 18 173.161 173.161 175.384 -2.223 17832 2798 1 8 . 1 1 21 21 GLY CA C 18 44.450 44.450 47.511 -3.062 17832 2799 1 8 . 1 1 21 21 GLY H H 18 8.259 8.259 8.394 -0.135 17832 2800 1 8 . 1 1 22 22 THR N N 19 113.696 113.696 115.075 -1.379 17832 2801 1 8 . 1 1 22 22 THR HA H 19 3.946 3.946 4.124 -0.178 17832 2802 1 8 . 1 1 22 22 THR C C 19 173.081 173.081 176.006 -2.925 17832 2803 1 8 . 1 1 22 22 THR CA C 19 62.984 62.984 64.846 -1.862 17832 2804 1 8 . 1 1 22 22 THR CB C 19 66.403 66.403 68.789 -2.386 17832 2805 1 8 . 1 1 22 22 THR H H 19 7.502 7.502 7.240 0.262 17832 2806 1 8 . 1 1 23 23 VAL N N 20 123.120 123.120 121.426 1.694 17832 2807 1 8 . 1 1 23 23 VAL HA H 20 3.649 3.649 3.850 -0.201 17832 2808 1 8 . 1 1 23 23 VAL C C 20 174.858 174.858 177.738 -2.880 17832 2809 1 8 . 1 1 23 23 VAL CA C 20 62.761 62.761 65.266 -2.505 17832 2810 1 8 . 1 1 23 23 VAL CB C 20 29.222 29.222 32.112 -2.890 17832 2811 1 8 . 1 1 23 23 VAL H H 20 7.168 7.168 8.071 -0.903 17832 2812 1 8 . 1 1 24 24 VAL N N 21 119.729 119.729 118.425 1.304 17832 2813 1 8 . 1 1 24 24 VAL HA H 21 3.541 3.541 3.714 -0.173 17832 2814 1 8 . 1 1 24 24 VAL C C 21 174.410 174.410 176.977 -2.567 17832 2815 1 8 . 1 1 24 24 VAL CA C 21 61.966 61.966 65.679 -3.713 17832 2816 1 8 . 1 1 24 24 VAL CB C 21 29.360 29.360 31.357 -1.997 17832 2817 1 8 . 1 1 24 24 VAL H H 21 8.129 8.129 8.465 -0.336 17832 2818 1 8 . 1 1 25 25 ARG N N 22 116.239 116.239 118.344 -2.105 17832 2819 1 8 . 1 1 25 25 ARG HA H 22 3.952 3.952 4.070 -0.118 17832 2820 1 8 . 1 1 25 25 ARG C C 22 174.899 174.899 177.481 -2.582 17832 2821 1 8 . 1 1 25 25 ARG CA C 22 56.097 56.097 58.538 -2.441 17832 2822 1 8 . 1 1 25 25 ARG CB C 22 27.473 27.473 30.100 -2.627 17832 2823 1 8 . 1 1 25 25 ARG H H 22 7.633 7.633 7.844 -0.211 17832 2824 1 8 . 1 1 26 26 VAL N N 23 115.006 115.006 117.686 -2.680 17832 2825 1 8 . 1 1 26 26 VAL HA H 23 3.995 3.995 3.937 0.058 17832 2826 1 8 . 1 1 26 26 VAL C C 23 173.187 173.187 176.828 -3.641 17832 2827 1 8 . 1 1 26 26 VAL CA C 23 61.107 61.107 64.882 -3.775 17832 2828 1 8 . 1 1 26 26 VAL CB C 23 29.977 29.977 32.646 -2.669 17832 2829 1 8 . 1 1 26 26 VAL H H 23 6.886 6.886 7.887 -1.001 17832 2830 1 8 . 1 1 27 27 LEU N N 24 120.940 120.940 119.320 1.620 17832 2831 1 8 . 1 1 27 27 LEU HA H 24 4.930 4.930 4.893 0.037 17832 2832 1 8 . 1 1 27 27 LEU C C 24 171.363 171.363 174.682 -3.319 17832 2833 1 8 . 1 1 27 27 LEU CA C 24 48.752 48.752 52.170 -3.418 17832 2834 1 8 . 1 1 27 27 LEU CB C 24 40.669 40.669 42.570 -1.901 17832 2835 1 8 . 1 1 27 27 LEU H H 24 8.338 8.338 7.341 0.997 17832 2836 1 8 . 1 1 28 28 PRO HA H 25 4.767 4.767 4.359 0.408 17832 2837 1 8 . 1 1 28 28 PRO C C 25 176.742 176.742 177.871 -1.129 17832 2838 1 8 . 1 1 28 28 PRO CA C 25 63.453 63.453 64.972 -1.519 17832 2839 1 8 . 1 1 28 28 PRO CB C 25 29.004 29.004 31.824 -2.820 17832 2840 1 8 . 1 1 29 29 SER N N 26 111.726 111.726 114.201 -2.475 17832 2841 1 8 . 1 1 29 29 SER HA H 26 4.422 4.422 4.249 0.173 17832 2842 1 8 . 1 1 29 29 SER C C 26 172.811 172.811 176.399 -3.588 17832 2843 1 8 . 1 1 29 29 SER CA C 26 57.331 57.331 60.289 -2.958 17832 2844 1 8 . 1 1 29 29 SER CB C 26 59.552 59.552 62.577 -3.025 17832 2845 1 8 . 1 1 29 29 SER H H 26 8.279 8.279 8.525 -0.246 17832 2846 1 8 . 1 1 30 30 SER N N 27 116.503 116.503 119.106 -2.603 17832 2847 1 8 . 1 1 30 30 SER HA H 27 4.103 4.103 4.187 -0.084 17832 2848 1 8 . 1 1 30 30 SER C C 27 174.324 174.324 176.019 -1.695 17832 2849 1 8 . 1 1 30 30 SER CA C 27 58.661 58.661 60.070 -1.409 17832 2850 1 8 . 1 1 30 30 SER CB C 27 61.593 61.593 63.026 -1.433 17832 2851 1 8 . 1 1 30 30 SER H H 27 8.642 8.642 7.781 0.861 17832 2852 1 8 . 1 1 31 31 LEU N N 28 126.322 126.322 122.020 4.302 17832 2853 1 8 . 1 1 31 31 LEU HA H 28 4.281 4.281 4.259 0.022 17832 2854 1 8 . 1 1 31 31 LEU C C 28 175.385 175.385 177.695 -2.310 17832 2855 1 8 . 1 1 31 31 LEU CA C 28 56.992 56.992 57.688 -0.696 17832 2856 1 8 . 1 1 31 31 LEU CB C 28 38.241 38.241 41.504 -3.263 17832 2857 1 8 . 1 1 31 31 LEU H H 28 7.634 7.634 7.690 -0.056 17832 2858 1 8 . 1 1 32 32 GLU N N 29 114.812 114.812 118.407 -3.595 17832 2859 1 8 . 1 1 32 32 GLU HA H 29 4.230 4.230 3.966 0.264 17832 2860 1 8 . 1 1 32 32 GLU C C 29 175.711 175.711 178.888 -3.177 17832 2861 1 8 . 1 1 32 32 GLU CA C 29 56.205 56.205 59.621 -3.416 17832 2862 1 8 . 1 1 32 32 GLU CB C 29 26.903 26.903 29.285 -2.382 17832 2863 1 8 . 1 1 32 32 GLU H H 29 8.283 8.283 7.546 0.737 17832 2864 1 8 . 1 1 33 33 ILE N N 30 121.972 121.972 119.393 2.579 17832 2865 1 8 . 1 1 33 33 ILE HA H 30 3.773 3.773 3.642 0.131 17832 2866 1 8 . 1 1 33 33 ILE C C 30 175.177 175.177 178.137 -2.960 17832 2867 1 8 . 1 1 33 33 ILE CA C 30 62.116 62.116 64.302 -2.186 17832 2868 1 8 . 1 1 33 33 ILE CB C 30 35.018 35.018 37.673 -2.655 17832 2869 1 8 . 1 1 33 33 ILE H H 30 7.477 7.477 7.241 0.236 17832 2870 1 8 . 1 1 34 34 PHE N N 31 117.727 117.727 118.008 -0.281 17832 2871 1 8 . 1 1 34 34 PHE HA H 31 4.208 4.208 4.215 -0.007 17832 2872 1 8 . 1 1 34 34 PHE C C 31 174.731 174.731 177.785 -3.054 17832 2873 1 8 . 1 1 34 34 PHE CA C 31 61.035 61.035 60.247 0.788 17832 2874 1 8 . 1 1 34 34 PHE CB C 31 36.224 36.224 37.762 -1.538 17832 2875 1 8 . 1 1 34 34 PHE H H 31 8.137 8.137 7.289 0.848 17832 2876 1 8 . 1 1 35 35 GLU N N 32 118.271 118.271 120.286 -2.015 17832 2877 1 8 . 1 1 35 35 GLU HA H 32 2.721 2.721 4.632 -1.911 17832 2878 1 8 . 1 1 35 35 GLU C C 32 174.785 174.785 178.790 -4.005 17832 2879 1 8 . 1 1 35 35 GLU CA C 32 57.304 57.304 60.990 -3.686 17832 2880 1 8 . 1 1 35 35 GLU CB C 32 26.997 26.997 29.537 -2.539 17832 2881 1 8 . 1 1 35 35 GLU H H 32 8.249 8.249 8.150 0.099 17832 2882 1 8 . 1 1 36 36 GLU N N 33 119.678 119.678 119.426 0.252 17832 2883 1 8 . 1 1 36 36 GLU HA H 33 3.887 3.887 4.062 -0.175 17832 2884 1 8 . 1 1 36 36 GLU C C 33 176.760 176.760 178.943 -2.183 17832 2885 1 8 . 1 1 36 36 GLU CA C 33 57.241 57.241 58.331 -1.090 17832 2886 1 8 . 1 1 36 36 GLU CB C 33 26.806 26.806 29.474 -2.668 17832 2887 1 8 . 1 1 36 36 GLU H H 33 7.971 7.971 7.838 0.133 17832 2888 1 8 . 1 1 37 37 LEU N N 34 120.144 120.144 121.380 -1.236 17832 2889 1 8 . 1 1 37 37 LEU HA H 34 4.280 4.280 4.058 0.222 17832 2890 1 8 . 1 1 37 37 LEU C C 34 174.327 174.327 178.731 -4.404 17832 2891 1 8 . 1 1 37 37 LEU CA C 34 55.502 55.502 57.992 -2.490 17832 2892 1 8 . 1 1 37 37 LEU CB C 34 39.354 39.354 42.238 -2.884 17832 2893 1 8 . 1 1 37 37 LEU H H 34 8.278 8.278 7.517 0.761 17832 2894 1 8 . 1 1 38 38 TYR N N 35 119.703 119.703 117.560 2.143 17832 2895 1 8 . 1 1 38 38 TYR HA H 35 4.070 4.070 4.201 -0.131 17832 2896 1 8 . 1 1 38 38 TYR C C 35 173.298 173.298 177.643 -4.345 17832 2897 1 8 . 1 1 38 38 TYR CA C 35 59.098 59.098 60.391 -1.292 17832 2898 1 8 . 1 1 38 38 TYR CB C 35 36.534 36.534 37.574 -1.040 17832 2899 1 8 . 1 1 38 38 TYR H H 35 8.417 8.417 8.555 -0.138 17832 2900 1 8 . 1 1 39 39 LYS N N 36 115.392 115.392 119.818 -4.426 17832 2901 1 8 . 1 1 39 39 LYS HA H 36 3.621 3.621 3.805 -0.184 17832 2902 1 8 . 1 1 39 39 LYS C C 36 176.456 176.456 178.320 -1.864 17832 2903 1 8 . 1 1 39 39 LYS CA C 36 57.011 57.011 57.880 -0.869 17832 2904 1 8 . 1 1 39 39 LYS CB C 36 29.694 29.694 31.759 -2.066 17832 2905 1 8 . 1 1 39 39 LYS H H 36 8.441 8.441 7.099 1.342 17832 2906 1 8 . 1 1 40 40 TYR N N 37 120.325 120.325 120.625 -0.300 17832 2907 1 8 . 1 1 40 40 TYR HA H 37 4.078 4.078 4.029 0.049 17832 2908 1 8 . 1 1 40 40 TYR C C 37 175.043 175.043 177.096 -2.053 17832 2909 1 8 . 1 1 40 40 TYR CA C 37 58.971 58.971 61.859 -2.888 17832 2910 1 8 . 1 1 40 40 TYR CB C 37 35.875 35.875 38.500 -2.625 17832 2911 1 8 . 1 1 40 40 TYR H H 37 8.344 8.344 8.065 0.279 17832 2912 1 8 . 1 1 41 41 ALA N N 38 121.802 121.802 120.320 1.482 17832 2913 1 8 . 1 1 41 41 ALA HA H 38 3.746 3.746 4.122 -0.376 17832 2914 1 8 . 1 1 41 41 ALA C C 38 175.962 175.962 179.615 -3.653 17832 2915 1 8 . 1 1 41 41 ALA CA C 38 51.780 51.780 54.692 -2.912 17832 2916 1 8 . 1 1 41 41 ALA CB C 38 17.381 17.381 18.153 -0.772 17832 2917 1 8 . 1 1 41 41 ALA H H 38 8.291 8.291 7.949 0.342 17832 2918 1 8 . 1 1 42 42 LEU N N 39 116.563 116.563 117.690 -1.127 17832 2919 1 8 . 1 1 42 42 LEU HA H 39 3.820 3.820 4.117 -0.297 17832 2920 1 8 . 1 1 42 42 LEU C C 39 176.020 176.020 178.233 -2.213 17832 2921 1 8 . 1 1 42 42 LEU CA C 39 54.011 54.011 56.911 -2.900 17832 2922 1 8 . 1 1 42 42 LEU CB C 39 39.796 39.796 42.183 -2.387 17832 2923 1 8 . 1 1 42 42 LEU H H 39 7.865 7.865 7.486 0.379 17832 2924 1 8 . 1 1 43 43 ASN N N 40 115.561 115.561 116.833 -1.272 17832 2925 1 8 . 1 1 43 43 ASN HA H 40 4.436 4.436 4.568 -0.132 17832 2926 1 8 . 1 1 43 43 ASN C C 40 173.390 173.390 177.669 -4.279 17832 2927 1 8 . 1 1 43 43 ASN CA C 40 51.492 51.492 56.044 -4.552 17832 2928 1 8 . 1 1 43 43 ASN CB C 40 36.401 36.401 39.090 -2.689 17832 2929 1 8 . 1 1 43 43 ASN H H 40 7.467 7.467 7.900 -0.433 17832 2930 1 8 . 1 1 44 44 GLU N N 41 120.609 120.609 120.069 0.540 17832 2931 1 8 . 1 1 44 44 GLU HA H 41 3.986 3.986 3.973 0.013 17832 2932 1 8 . 1 1 44 44 GLU C C 41 174.161 174.161 177.994 -3.833 17832 2933 1 8 . 1 1 44 44 GLU CA C 41 54.775 54.775 58.738 -3.963 17832 2934 1 8 . 1 1 44 44 GLU CB C 41 27.094 27.094 28.631 -1.537 17832 2935 1 8 . 1 1 44 44 GLU H H 41 7.817 7.817 8.035 -0.218 17832 2936 1 8 . 1 1 45 45 ASN N N 42 118.453 118.453 117.281 1.172 17832 2937 1 8 . 1 1 45 45 ASN HA H 42 4.618 4.618 4.494 0.124 17832 2938 1 8 . 1 1 45 45 ASN C C 42 172.912 172.912 174.859 -1.947 17832 2939 1 8 . 1 1 45 45 ASN CA C 42 50.988 50.988 54.119 -3.131 17832 2940 1 8 . 1 1 45 45 ASN CB C 42 36.267 36.267 38.997 -2.730 17832 2941 1 8 . 1 1 45 45 ASN H H 42 8.087 8.087 7.803 0.284 17832 2942 1 8 . 1 1 46 46 SER N N 43 115.581 115.581 112.964 2.617 17832 2943 1 8 . 1 1 46 46 SER HA H 43 4.292 4.292 4.123 0.169 17832 2944 1 8 . 1 1 46 46 SER C C 43 172.136 172.136 173.033 -0.897 17832 2945 1 8 . 1 1 46 46 SER CA C 43 56.202 56.202 59.618 -3.416 17832 2946 1 8 . 1 1 46 46 SER CB C 43 60.909 60.909 62.868 -1.959 17832 2947 1 8 . 1 1 46 46 SER H H 43 8.062 8.062 7.904 0.158 17832 2948 1 8 . 1 1 47 47 ASN N N 44 120.517 120.517 120.981 -0.464 17832 2949 1 8 . 1 1 47 47 ASN HA H 44 4.617 4.617 4.902 -0.285 17832 2950 1 8 . 1 1 47 47 ASN C C 44 172.545 172.545 174.165 -1.620 17832 2951 1 8 . 1 1 47 47 ASN CA C 44 51.174 51.174 52.198 -1.024 17832 2952 1 8 . 1 1 47 47 ASN CB C 44 36.208 36.208 40.829 -4.621 17832 2953 1 8 . 1 1 47 47 ASN H H 44 8.329 8.329 8.141 0.188 17832 2954 1 8 . 1 1 48 48 ASP N N 45 120.294 120.294 119.696 0.598 17832 2955 1 8 . 1 1 48 48 ASP HA H 45 4.500 4.500 4.818 -0.318 17832 2956 1 8 . 1 1 48 48 ASP C C 45 173.835 173.835 175.687 -1.852 17832 2957 1 8 . 1 1 48 48 ASP CA C 45 52.030 52.030 54.771 -2.741 17832 2958 1 8 . 1 1 48 48 ASP CB C 45 38.326 38.326 41.541 -3.215 17832 2959 1 8 . 1 1 48 48 ASP H H 45 8.220 8.220 8.654 -0.434 17832 2960 1 8 . 1 1 49 49 ARG N N 46 121.139 121.139 118.480 2.659 17832 2961 1 8 . 1 1 49 49 ARG HA H 46 4.274 4.274 4.390 -0.116 17832 2962 1 8 . 1 1 49 49 ARG C C 46 174.032 174.032 175.121 -1.089 17832 2963 1 8 . 1 1 49 49 ARG CA C 46 53.425 53.425 55.813 -2.388 17832 2964 1 8 . 1 1 49 49 ARG CB C 46 27.615 27.615 30.567 -2.953 17832 2965 1 8 . 1 1 49 49 ARG H H 46 8.180 8.180 8.317 -0.137 17832 2966 1 8 . 1 1 50 50 SER N N 47 116.289 116.289 118.266 -1.977 17832 2967 1 8 . 1 1 50 50 SER HA H 47 4.269 4.269 4.571 -0.302 17832 2968 1 8 . 1 1 50 50 SER C C 47 172.337 172.337 173.988 -1.651 17832 2969 1 8 . 1 1 50 50 SER CA C 47 56.379 56.379 58.017 -1.638 17832 2970 1 8 . 1 1 50 50 SER CB C 47 60.970 60.970 63.629 -2.659 17832 2971 1 8 . 1 1 50 50 SER H H 47 8.236 8.236 8.418 -0.182 17832 2972 1 8 . 1 1 51 51 GLU N N 48 122.019 122.019 126.515 -4.496 17832 2973 1 8 . 1 1 51 51 GLU HA H 48 4.134 4.134 4.384 -0.250 17832 2974 1 8 . 1 1 51 51 GLU C C 48 174.002 174.002 175.570 -1.568 17832 2975 1 8 . 1 1 51 51 GLU CA C 48 54.285 54.285 55.229 -0.944 17832 2976 1 8 . 1 1 51 51 GLU CB C 48 27.192 27.192 30.889 -3.696 17832 2977 1 8 . 1 1 51 51 GLU H H 48 8.423 8.423 8.630 -0.207 17832 2978 1 8 . 1 1 52 52 HIS N N 49 119.075 119.075 118.374 0.701 17832 2979 1 8 . 1 1 52 52 HIS HA H 49 4.486 4.486 4.921 -0.435 17832 2980 1 8 . 1 1 52 52 HIS C C 49 172.663 172.663 174.740 -2.077 17832 2981 1 8 . 1 1 52 52 HIS CA C 49 53.775 53.775 55.765 -1.990 17832 2982 1 8 . 1 1 52 52 HIS CB C 49 27.714 27.714 30.118 -2.404 17832 2983 1 8 . 1 1 52 52 HIS H H 49 8.117 8.117 8.577 -0.460 17832 2984 1 8 . 1 1 53 53 HIS N N 50 119.483 119.483 121.860 -2.377 17832 2985 1 8 . 1 1 53 53 HIS HA H 50 4.538 4.538 4.575 -0.037 17832 2986 1 8 . 1 1 53 53 HIS C C 50 172.355 172.355 174.322 -1.967 17832 2987 1 8 . 1 1 53 53 HIS CA C 50 53.433 53.433 56.785 -3.352 17832 2988 1 8 . 1 1 53 53 HIS CB C 50 27.694 27.694 31.397 -3.703 17832 2989 1 8 . 1 1 53 53 HIS H H 50 8.068 8.068 8.809 -0.741 17832 2990 1 8 . 1 1 54 54 LYS N N 51 122.136 122.136 122.192 -0.056 17832 2991 1 8 . 1 1 54 54 LYS HA H 51 4.215 4.215 4.500 -0.285 17832 2992 1 8 . 1 1 54 54 LYS C C 51 173.474 173.474 176.629 -3.155 17832 2993 1 8 . 1 1 54 54 LYS CA C 51 53.445 53.445 55.654 -2.209 17832 2994 1 8 . 1 1 54 54 LYS CB C 51 30.329 30.329 33.012 -2.683 17832 2995 1 8 . 1 1 54 54 LYS H H 51 8.121 8.121 8.487 -0.366 17832 2996 1 8 . 1 1 55 55 LYS N N 52 124.022 124.022 126.907 -2.885 17832 2997 1 8 . 1 1 55 55 LYS HA H 52 4.508 4.508 4.520 -0.012 17832 2998 1 8 . 1 1 55 55 LYS C C 52 171.685 171.685 175.398 -3.713 17832 2999 1 8 . 1 1 55 55 LYS CA C 52 51.516 51.516 56.389 -4.873 17832 3000 1 8 . 1 1 55 55 LYS CB C 52 29.818 29.818 32.033 -2.215 17832 3001 1 8 . 1 1 55 55 LYS H H 52 8.262 8.262 8.591 -0.329 17832 3002 1 8 . 1 1 56 56 PRO HA H 53 4.340 4.340 4.361 -0.021 17832 3003 1 8 . 1 1 56 56 PRO C C 53 173.830 173.830 176.421 -2.591 17832 3004 1 8 . 1 1 56 56 PRO CA C 53 60.496 60.496 62.988 -2.492 17832 3005 1 8 . 1 1 56 56 PRO CB C 53 29.444 29.444 32.131 -2.687 17832 3006 1 8 . 1 1 57 57 ARG N N 54 121.870 121.870 120.910 0.960 17832 3007 1 8 . 1 1 57 57 ARG HA H 54 4.279 4.279 4.605 -0.326 17832 3008 1 8 . 1 1 57 57 ARG C C 54 173.560 173.560 174.582 -1.022 17832 3009 1 8 . 1 1 57 57 ARG CA C 54 53.172 53.172 55.849 -2.677 17832 3010 1 8 . 1 1 57 57 ARG CB C 54 28.273 28.273 30.385 -2.112 17832 3011 1 8 . 1 1 57 57 ARG H H 54 8.396 8.396 8.474 -0.078 17832 3012 1 8 . 1 1 58 58 ILE N N 55 122.683 122.683 123.866 -1.183 17832 3013 1 8 . 1 1 58 58 ILE HA H 55 4.117 4.117 4.387 -0.270 17832 3014 1 8 . 1 1 58 58 ILE C C 55 173.034 173.034 175.279 -2.245 17832 3015 1 8 . 1 1 58 58 ILE CA C 55 58.378 58.378 60.411 -2.033 17832 3016 1 8 . 1 1 58 58 ILE CB C 55 36.113 36.113 40.657 -4.544 17832 3017 1 8 . 1 1 58 58 ILE H H 55 8.258 8.258 8.167 0.091 17832 3018 1 8 . 1 1 59 59 ASP N N 56 123.975 123.975 127.649 -3.674 17832 3019 1 8 . 1 1 59 59 ASP HA H 56 4.581 4.581 4.709 -0.128 17832 3020 1 8 . 1 1 59 59 ASP C C 56 172.780 172.780 175.790 -3.010 17832 3021 1 8 . 1 1 59 59 ASP CA C 56 51.525 51.525 54.903 -3.378 17832 3022 1 8 . 1 1 59 59 ASP CB C 56 38.460 38.460 41.561 -3.101 17832 3023 1 8 . 1 1 59 59 ASP H H 56 8.364 8.364 8.647 -0.283 17832 3024 1 8 . 1 1 60 60 ASP N N 57 121.471 121.471 120.232 1.239 17832 3025 1 8 . 1 1 60 60 ASP HA H 57 4.563 4.563 4.628 -0.065 17832 3026 1 8 . 1 1 60 60 ASP C C 57 173.851 173.851 175.901 -2.050 17832 3027 1 8 . 1 1 60 60 ASP CA C 57 51.586 51.586 55.605 -4.019 17832 3028 1 8 . 1 1 60 60 ASP CB C 57 38.468 38.468 41.177 -2.709 17832 3029 1 8 . 1 1 60 60 ASP H H 57 8.393 8.393 8.283 0.110 17832 3030 1 8 . 1 1 61 61 SER N N 58 116.207 116.207 117.785 -1.578 17832 3031 1 8 . 1 1 61 61 SER C C 58 172.389 172.389 173.716 -1.327 17832 3032 1 8 . 1 1 61 61 SER CA C 58 56.129 56.129 58.480 -2.351 17832 3033 1 8 . 1 1 61 61 SER CB C 58 60.945 60.945 63.055 -2.110 17832 3034 1 8 . 1 1 61 61 SER H H 58 8.331 8.331 8.186 0.145 17832 3035 1 8 . 1 1 62 62 SER N N 59 117.805 117.805 116.459 1.346 17832 3036 1 8 . 1 1 62 62 SER C C 59 171.778 171.778 173.147 -1.369 17832 3037 1 8 . 1 1 62 62 SER CA C 59 56.290 56.290 58.632 -2.342 17832 3038 1 8 . 1 1 62 62 SER CB C 59 60.930 60.930 62.946 -2.016 17832 3039 1 8 . 1 1 62 62 SER H H 59 8.334 8.334 8.290 0.044 17832 3040 1 8 . 1 1 63 63 ASP N N 60 122.124 122.124 120.708 1.416 17832 3041 1 8 . 1 1 63 63 ASP HA H 60 4.512 4.512 4.669 -0.157 17832 3042 1 8 . 1 1 63 63 ASP C C 60 173.550 173.550 175.687 -2.137 17832 3043 1 8 . 1 1 63 63 ASP CA C 60 51.916 51.916 54.241 -2.325 17832 3044 1 8 . 1 1 63 63 ASP CB C 60 38.264 38.264 41.079 -2.815 17832 3045 1 8 . 1 1 63 63 ASP H H 60 8.278 8.278 8.066 0.212 17832 3046 1 8 . 1 1 64 64 LEU N N 61 121.450 121.450 125.799 -4.349 17832 3047 1 8 . 1 1 64 64 LEU HA H 61 4.223 4.223 4.604 -0.381 17832 3048 1 8 . 1 1 64 64 LEU C C 61 174.603 174.603 176.368 -1.765 17832 3049 1 8 . 1 1 64 64 LEU CA C 61 52.640 52.640 54.044 -1.404 17832 3050 1 8 . 1 1 64 64 LEU CB C 61 39.502 39.502 43.144 -3.642 17832 3051 1 8 . 1 1 64 64 LEU H H 61 7.931 7.931 8.457 -0.526 17832 3052 1 8 . 1 1 65 65 LEU N N 62 122.042 122.042 121.337 0.705 17832 3053 1 8 . 1 1 65 65 LEU HA H 62 4.273 4.273 4.304 -0.031 17832 3054 1 8 . 1 1 65 65 LEU C C 62 174.372 174.372 177.404 -3.032 17832 3055 1 8 . 1 1 65 65 LEU CA C 62 52.339 52.339 55.268 -2.929 17832 3056 1 8 . 1 1 65 65 LEU CB C 62 39.426 39.426 42.461 -3.035 17832 3057 1 8 . 1 1 65 65 LEU H H 62 8.023 8.023 8.083 -0.060 17832 3058 1 8 . 1 1 66 66 LYS N N 63 122.782 122.782 120.092 2.690 17832 3059 1 8 . 1 1 66 66 LYS HA H 63 4.349 4.349 4.617 -0.268 17832 3060 1 8 . 1 1 66 66 LYS C C 63 173.936 173.936 175.872 -1.936 17832 3061 1 8 . 1 1 66 66 LYS CA C 63 53.305 53.305 55.345 -2.040 17832 3062 1 8 . 1 1 66 66 LYS CB C 63 30.305 30.305 33.863 -3.558 17832 3063 1 8 . 1 1 66 66 LYS H H 63 8.145 8.145 8.252 -0.107 17832 3064 1 8 . 1 1 67 67 THR N N 64 115.478 115.478 114.449 1.029 17832 3065 1 8 . 1 1 67 67 THR HA H 64 4.298 4.298 4.250 0.048 17832 3066 1 8 . 1 1 67 67 THR C C 64 171.473 171.473 174.419 -2.946 17832 3067 1 8 . 1 1 67 67 THR CA C 64 58.943 58.943 61.598 -2.655 17832 3068 1 8 . 1 1 67 67 THR CB C 64 67.038 67.038 69.417 -2.379 17832 3069 1 8 . 1 1 67 67 THR H H 64 8.196 8.196 8.033 0.163 17832 3070 1 8 . 1 1 68 68 ASP N N 65 122.013 122.013 122.293 -0.280 17832 3071 1 8 . 1 1 68 68 ASP C C 65 173.191 173.191 176.745 -3.554 17832 3072 1 8 . 1 1 68 68 ASP CA C 65 51.628 51.628 54.609 -2.981 17832 3073 1 8 . 1 1 68 68 ASP CB C 65 38.495 38.495 41.063 -2.568 17832 3074 1 8 . 1 1 68 68 ASP H H 65 8.307 8.307 8.464 -0.157 17832 3075 1 8 . 1 1 69 69 GLU N N 66 121.260 121.260 122.808 -1.548 17832 3076 1 8 . 1 1 69 69 GLU HA H 66 4.235 4.235 4.051 0.184 17832 3077 1 8 . 1 1 69 69 GLU C C 66 172.706 172.706 177.096 -4.390 17832 3078 1 8 . 1 1 69 69 GLU CA C 66 53.881 53.881 58.376 -4.495 17832 3079 1 8 . 1 1 69 69 GLU CB C 66 27.731 27.731 29.723 -1.992 17832 3080 1 8 . 1 1 69 69 GLU H H 66 8.216 8.216 8.713 -0.497 17832 3081 1 9 . 1 1 3 3 MET C C 0 173.346 173.346 176.121 -2.775 17832 3082 1 9 . 1 1 3 3 MET CA C 0 52.930 52.930 57.382 -4.452 17832 3083 1 9 . 1 1 3 3 MET CB C 0 29.966 29.966 32.303 -2.337 17832 3084 1 9 . 1 1 4 4 MET N N 1 121.822 121.822 117.754 4.068 17832 3085 1 9 . 1 1 4 4 MET HA H 1 4.378 4.378 4.173 0.205 17832 3086 1 9 . 1 1 4 4 MET C C 1 173.585 173.585 174.952 -1.367 17832 3087 1 9 . 1 1 4 4 MET CA C 1 52.943 52.943 55.737 -2.794 17832 3088 1 9 . 1 1 4 4 MET CB C 1 30.112 30.112 32.302 -2.190 17832 3089 1 9 . 1 1 4 4 MET H H 1 8.553 8.553 8.331 0.222 17832 3090 1 9 . 1 1 5 5 SER N N 2 117.291 117.291 117.345 -0.054 17832 3091 1 9 . 1 1 5 5 SER HA H 2 4.402 4.402 4.490 -0.088 17832 3092 1 9 . 1 1 5 5 SER C C 2 171.427 171.427 174.285 -2.858 17832 3093 1 9 . 1 1 5 5 SER CA C 2 55.920 55.920 58.101 -2.181 17832 3094 1 9 . 1 1 5 5 SER CB C 2 61.033 61.033 63.706 -2.672 17832 3095 1 9 . 1 1 5 5 SER H H 2 8.337 8.337 8.358 -0.021 17832 3096 1 9 . 1 1 6 6 LYS N N 3 121.932 121.932 124.752 -2.820 17832 3097 1 9 . 1 1 6 6 LYS HA H 3 4.282 4.282 4.550 -0.268 17832 3098 1 9 . 1 1 6 6 LYS C C 3 173.822 173.822 175.702 -1.880 17832 3099 1 9 . 1 1 6 6 LYS CA C 3 53.556 53.556 55.386 -1.830 17832 3100 1 9 . 1 1 6 6 LYS CB C 3 30.569 30.569 34.362 -3.793 17832 3101 1 9 . 1 1 6 6 LYS H H 3 8.216 8.216 8.450 -0.234 17832 3102 1 9 . 1 1 7 7 LEU N N 4 123.131 123.131 124.452 -1.321 17832 3103 1 9 . 1 1 7 7 LEU HA H 4 4.310 4.310 4.572 -0.262 17832 3104 1 9 . 1 1 7 7 LEU C C 4 176.226 176.226 176.510 -0.284 17832 3105 1 9 . 1 1 7 7 LEU CA C 4 52.753 52.753 55.854 -3.101 17832 3106 1 9 . 1 1 7 7 LEU CB C 4 39.626 39.626 42.438 -2.812 17832 3107 1 9 . 1 1 7 7 LEU H H 4 8.301 8.301 8.961 -0.660 17832 3108 1 9 . 1 1 8 8 PHE N N 5 122.547 122.547 118.889 3.658 17832 3109 1 9 . 1 1 8 8 PHE HA H 5 4.313 4.313 4.584 -0.271 17832 3110 1 9 . 1 1 8 8 PHE CA C 5 56.963 56.963 58.957 -1.994 17832 3111 1 9 . 1 1 8 8 PHE CB C 5 35.205 35.205 39.942 -4.737 17832 3112 1 9 . 1 1 8 8 PHE H H 5 8.764 8.764 8.109 0.655 17832 3113 1 9 . 1 1 9 9 LEU HA H 6 3.079 3.079 4.180 -1.101 17832 3114 1 9 . 1 1 9 9 LEU C C 6 175.830 175.830 177.907 -2.077 17832 3115 1 9 . 1 1 9 9 LEU CA C 6 54.075 54.075 55.920 -1.845 17832 3116 1 9 . 1 1 9 9 LEU CB C 6 38.429 38.429 42.326 -3.897 17832 3117 1 9 . 1 1 10 10 ASP N N 7 116.164 116.164 119.229 -3.065 17832 3118 1 9 . 1 1 10 10 ASP HA H 7 4.294 4.294 4.401 -0.107 17832 3119 1 9 . 1 1 10 10 ASP C C 7 174.240 174.240 176.598 -2.358 17832 3120 1 9 . 1 1 10 10 ASP CA C 7 53.201 53.201 55.938 -2.737 17832 3121 1 9 . 1 1 10 10 ASP CB C 7 37.826 37.826 41.053 -3.227 17832 3122 1 9 . 1 1 10 10 ASP H H 7 7.488 7.488 7.793 -0.305 17832 3123 1 9 . 1 1 11 11 GLU N N 8 116.711 116.711 118.034 -1.323 17832 3124 1 9 . 1 1 11 11 GLU HA H 8 4.296 4.296 4.358 -0.062 17832 3125 1 9 . 1 1 11 11 GLU C C 8 173.322 173.322 175.632 -2.310 17832 3126 1 9 . 1 1 11 11 GLU CA C 8 53.231 53.231 55.642 -2.411 17832 3127 1 9 . 1 1 11 11 GLU CB C 8 27.333 27.333 28.818 -1.485 17832 3128 1 9 . 1 1 11 11 GLU H H 8 7.496 7.496 8.246 -0.750 17832 3129 1 9 . 1 1 12 12 LEU N N 9 117.751 117.751 120.265 -2.514 17832 3130 1 9 . 1 1 12 12 LEU HA H 9 4.313 4.313 4.630 -0.317 17832 3131 1 9 . 1 1 12 12 LEU C C 9 171.541 171.541 174.031 -2.490 17832 3132 1 9 . 1 1 12 12 LEU CA C 9 49.264 49.264 51.664 -2.400 17832 3133 1 9 . 1 1 12 12 LEU CB C 9 38.581 38.581 44.290 -5.709 17832 3134 1 9 . 1 1 12 12 LEU H H 9 6.803 6.803 7.293 -0.490 17832 3135 1 9 . 1 1 13 13 PRO HA H 10 4.311 4.311 4.447 -0.136 17832 3136 1 9 . 1 1 13 13 PRO C C 10 174.746 174.746 177.644 -2.898 17832 3137 1 9 . 1 1 13 13 PRO CA C 10 60.083 60.083 62.818 -2.735 17832 3138 1 9 . 1 1 13 13 PRO CB C 10 29.131 29.131 32.492 -3.361 17832 3139 1 9 . 1 1 14 14 GLU N N 11 125.693 125.693 124.144 1.549 17832 3140 1 9 . 1 1 14 14 GLU HA H 11 3.854 3.854 3.863 -0.009 17832 3141 1 9 . 1 1 14 14 GLU C C 11 175.180 175.180 178.767 -3.587 17832 3142 1 9 . 1 1 14 14 GLU CA C 11 57.035 57.035 59.697 -2.662 17832 3143 1 9 . 1 1 14 14 GLU CB C 11 26.761 26.761 29.387 -2.626 17832 3144 1 9 . 1 1 14 14 GLU H H 11 8.777 8.777 8.853 -0.076 17832 3145 1 9 . 1 1 15 15 SER N N 12 111.734 111.734 115.188 -3.454 17832 3146 1 9 . 1 1 15 15 SER HA H 12 3.884 3.884 4.245 -0.361 17832 3147 1 9 . 1 1 15 15 SER C C 12 173.687 173.687 176.712 -3.025 17832 3148 1 9 . 1 1 15 15 SER CA C 12 58.230 58.230 60.393 -2.163 17832 3149 1 9 . 1 1 15 15 SER CB C 12 58.977 58.977 62.956 -3.979 17832 3150 1 9 . 1 1 15 15 SER H H 12 8.563 8.563 8.161 0.402 17832 3151 1 9 . 1 1 16 16 LEU N N 13 122.925 122.925 121.980 0.945 17832 3152 1 9 . 1 1 16 16 LEU HA H 13 4.081 4.081 4.013 0.068 17832 3153 1 9 . 1 1 16 16 LEU C C 13 175.385 175.385 178.108 -2.723 17832 3154 1 9 . 1 1 16 16 LEU CA C 13 54.057 54.057 57.131 -3.074 17832 3155 1 9 . 1 1 16 16 LEU CB C 13 39.498 39.498 42.026 -2.528 17832 3156 1 9 . 1 1 16 16 LEU H H 13 6.828 6.828 7.861 -1.033 17832 3157 1 9 . 1 1 17 17 SER N N 14 114.839 114.839 114.071 0.768 17832 3158 1 9 . 1 1 17 17 SER HA H 14 3.585 3.585 3.938 -0.353 17832 3159 1 9 . 1 1 17 17 SER C C 14 175.435 175.435 176.820 -1.385 17832 3160 1 9 . 1 1 17 17 SER CA C 14 58.835 58.835 61.470 -2.635 17832 3161 1 9 . 1 1 17 17 SER CB C 14 59.345 59.345 62.754 -3.409 17832 3162 1 9 . 1 1 17 17 SER H H 14 8.266 8.266 8.432 -0.166 17832 3163 1 9 . 1 1 18 18 ARG N N 15 121.474 121.474 119.741 1.733 17832 3164 1 9 . 1 1 18 18 ARG HA H 15 3.897 3.897 4.120 -0.223 17832 3165 1 9 . 1 1 18 18 ARG C C 15 176.749 176.749 178.332 -1.583 17832 3166 1 9 . 1 1 18 18 ARG CA C 15 56.827 56.827 59.073 -2.246 17832 3167 1 9 . 1 1 18 18 ARG CB C 15 27.154 27.154 30.281 -3.127 17832 3168 1 9 . 1 1 18 18 ARG H H 15 8.385 8.385 7.506 0.879 17832 3169 1 9 . 1 1 19 19 LYS N N 16 119.494 119.494 119.484 0.010 17832 3170 1 9 . 1 1 19 19 LYS HA H 16 3.947 3.947 4.172 -0.225 17832 3171 1 9 . 1 1 19 19 LYS C C 16 177.319 177.319 178.789 -1.470 17832 3172 1 9 . 1 1 19 19 LYS CA C 16 57.412 57.412 58.860 -1.448 17832 3173 1 9 . 1 1 19 19 LYS CB C 16 30.432 30.432 32.703 -2.272 17832 3174 1 9 . 1 1 19 19 LYS H H 16 7.269 7.269 7.765 -0.496 17832 3175 1 9 . 1 1 20 20 ILE N N 17 120.972 120.972 120.099 0.873 17832 3176 1 9 . 1 1 20 20 ILE HA H 17 2.813 2.813 3.670 -0.857 17832 3177 1 9 . 1 1 20 20 ILE C C 17 175.324 175.324 177.857 -2.533 17832 3178 1 9 . 1 1 20 20 ILE CA C 17 63.012 63.012 65.314 -2.302 17832 3179 1 9 . 1 1 20 20 ILE CB C 17 34.710 34.710 37.654 -2.945 17832 3180 1 9 . 1 1 20 20 ILE H H 17 7.993 7.993 8.493 -0.500 17832 3181 1 9 . 1 1 21 21 GLY N N 18 106.894 106.894 105.405 1.489 17832 3182 1 9 . 1 1 21 21 GLY C C 18 173.161 173.161 175.848 -2.687 17832 3183 1 9 . 1 1 21 21 GLY CA C 18 44.450 44.450 47.605 -3.155 17832 3184 1 9 . 1 1 21 21 GLY H H 18 8.259 8.259 7.997 0.262 17832 3185 1 9 . 1 1 22 22 THR N N 19 113.696 113.696 115.772 -2.076 17832 3186 1 9 . 1 1 22 22 THR HA H 19 3.946 3.946 4.169 -0.223 17832 3187 1 9 . 1 1 22 22 THR C C 19 173.081 173.081 175.743 -2.662 17832 3188 1 9 . 1 1 22 22 THR CA C 19 62.984 62.984 64.837 -1.853 17832 3189 1 9 . 1 1 22 22 THR CB C 19 66.403 66.403 68.587 -2.184 17832 3190 1 9 . 1 1 22 22 THR H H 19 7.502 7.502 7.288 0.214 17832 3191 1 9 . 1 1 23 23 VAL N N 20 123.120 123.120 121.274 1.846 17832 3192 1 9 . 1 1 23 23 VAL HA H 20 3.649 3.649 4.020 -0.371 17832 3193 1 9 . 1 1 23 23 VAL C C 20 174.858 174.858 177.621 -2.763 17832 3194 1 9 . 1 1 23 23 VAL CA C 20 62.761 62.761 63.660 -0.899 17832 3195 1 9 . 1 1 23 23 VAL CB C 20 29.222 29.222 31.983 -2.761 17832 3196 1 9 . 1 1 23 23 VAL H H 20 7.168 7.168 7.461 -0.293 17832 3197 1 9 . 1 1 24 24 VAL N N 21 119.729 119.729 119.688 0.041 17832 3198 1 9 . 1 1 24 24 VAL HA H 21 3.541 3.541 3.702 -0.161 17832 3199 1 9 . 1 1 24 24 VAL C C 21 174.410 174.410 176.649 -2.239 17832 3200 1 9 . 1 1 24 24 VAL CA C 21 61.966 61.966 66.043 -4.077 17832 3201 1 9 . 1 1 24 24 VAL CB C 21 29.360 29.360 31.433 -2.073 17832 3202 1 9 . 1 1 24 24 VAL H H 21 8.129 8.129 8.171 -0.042 17832 3203 1 9 . 1 1 25 25 ARG N N 22 116.239 116.239 118.215 -1.976 17832 3204 1 9 . 1 1 25 25 ARG HA H 22 3.952 3.952 4.072 -0.120 17832 3205 1 9 . 1 1 25 25 ARG C C 22 174.899 174.899 177.796 -2.897 17832 3206 1 9 . 1 1 25 25 ARG CA C 22 56.097 56.097 58.702 -2.604 17832 3207 1 9 . 1 1 25 25 ARG CB C 22 27.473 27.473 30.092 -2.619 17832 3208 1 9 . 1 1 25 25 ARG H H 22 7.633 7.633 7.901 -0.268 17832 3209 1 9 . 1 1 26 26 VAL N N 23 115.006 115.006 118.804 -3.798 17832 3210 1 9 . 1 1 26 26 VAL HA H 23 3.995 3.995 3.902 0.093 17832 3211 1 9 . 1 1 26 26 VAL C C 23 173.187 173.187 176.646 -3.459 17832 3212 1 9 . 1 1 26 26 VAL CA C 23 61.107 61.107 65.118 -4.011 17832 3213 1 9 . 1 1 26 26 VAL CB C 23 29.977 29.977 32.485 -2.508 17832 3214 1 9 . 1 1 26 26 VAL H H 23 6.886 6.886 7.609 -0.723 17832 3215 1 9 . 1 1 27 27 LEU N N 24 120.940 120.940 119.692 1.248 17832 3216 1 9 . 1 1 27 27 LEU HA H 24 4.930 4.930 4.871 0.059 17832 3217 1 9 . 1 1 27 27 LEU C C 24 171.363 171.363 175.279 -3.916 17832 3218 1 9 . 1 1 27 27 LEU CA C 24 48.752 48.752 52.460 -3.708 17832 3219 1 9 . 1 1 27 27 LEU CB C 24 40.669 40.669 43.488 -2.819 17832 3220 1 9 . 1 1 27 27 LEU H H 24 8.338 8.338 7.306 1.032 17832 3221 1 9 . 1 1 28 28 PRO HA H 25 4.767 4.767 4.484 0.283 17832 3222 1 9 . 1 1 28 28 PRO C C 25 176.742 176.742 177.376 -0.634 17832 3223 1 9 . 1 1 28 28 PRO CA C 25 63.453 63.453 64.611 -1.158 17832 3224 1 9 . 1 1 28 28 PRO CB C 25 29.004 29.004 31.761 -2.757 17832 3225 1 9 . 1 1 29 29 SER N N 26 111.726 111.726 113.309 -1.583 17832 3226 1 9 . 1 1 29 29 SER HA H 26 4.422 4.422 4.532 -0.110 17832 3227 1 9 . 1 1 29 29 SER C C 26 172.811 172.811 175.563 -2.752 17832 3228 1 9 . 1 1 29 29 SER CA C 26 57.331 57.331 59.025 -1.694 17832 3229 1 9 . 1 1 29 29 SER CB C 26 59.552 59.552 63.296 -3.744 17832 3230 1 9 . 1 1 29 29 SER H H 26 8.279 8.279 8.351 -0.072 17832 3231 1 9 . 1 1 30 30 SER N N 27 116.503 116.503 118.860 -2.357 17832 3232 1 9 . 1 1 30 30 SER HA H 27 4.103 4.103 4.218 -0.115 17832 3233 1 9 . 1 1 30 30 SER C C 27 174.324 174.324 176.515 -2.191 17832 3234 1 9 . 1 1 30 30 SER CA C 27 58.661 58.661 60.170 -1.509 17832 3235 1 9 . 1 1 30 30 SER CB C 27 61.593 61.593 63.224 -1.631 17832 3236 1 9 . 1 1 30 30 SER H H 27 8.642 8.642 7.962 0.680 17832 3237 1 9 . 1 1 31 31 LEU N N 28 126.322 126.322 123.017 3.305 17832 3238 1 9 . 1 1 31 31 LEU HA H 28 4.281 4.281 4.394 -0.113 17832 3239 1 9 . 1 1 31 31 LEU C C 28 175.385 175.385 177.989 -2.604 17832 3240 1 9 . 1 1 31 31 LEU CA C 28 56.992 56.992 58.067 -1.075 17832 3241 1 9 . 1 1 31 31 LEU CB C 28 38.241 38.241 42.034 -3.793 17832 3242 1 9 . 1 1 31 31 LEU H H 28 7.634 7.634 7.789 -0.155 17832 3243 1 9 . 1 1 32 32 GLU N N 29 114.812 114.812 118.509 -3.697 17832 3244 1 9 . 1 1 32 32 GLU HA H 29 4.230 4.230 3.973 0.257 17832 3245 1 9 . 1 1 32 32 GLU C C 29 175.711 175.711 178.926 -3.215 17832 3246 1 9 . 1 1 32 32 GLU CA C 29 56.205 56.205 59.280 -3.075 17832 3247 1 9 . 1 1 32 32 GLU CB C 29 26.903 26.903 29.434 -2.531 17832 3248 1 9 . 1 1 32 32 GLU H H 29 8.283 8.283 7.895 0.388 17832 3249 1 9 . 1 1 33 33 ILE N N 30 121.972 121.972 119.544 2.428 17832 3250 1 9 . 1 1 33 33 ILE HA H 30 3.773 3.773 3.634 0.139 17832 3251 1 9 . 1 1 33 33 ILE C C 30 175.177 175.177 177.809 -2.632 17832 3252 1 9 . 1 1 33 33 ILE CA C 30 62.116 62.116 64.828 -2.712 17832 3253 1 9 . 1 1 33 33 ILE CB C 30 35.018 35.018 37.670 -2.652 17832 3254 1 9 . 1 1 33 33 ILE H H 30 7.477 7.477 7.590 -0.113 17832 3255 1 9 . 1 1 34 34 PHE N N 31 117.727 117.727 117.813 -0.086 17832 3256 1 9 . 1 1 34 34 PHE HA H 31 4.208 4.208 4.272 -0.064 17832 3257 1 9 . 1 1 34 34 PHE C C 31 174.731 174.731 177.713 -2.982 17832 3258 1 9 . 1 1 34 34 PHE CA C 31 61.035 61.035 60.308 0.727 17832 3259 1 9 . 1 1 34 34 PHE CB C 31 36.224 36.224 38.059 -1.835 17832 3260 1 9 . 1 1 34 34 PHE H H 31 8.137 8.137 7.118 1.019 17832 3261 1 9 . 1 1 35 35 GLU N N 32 118.271 118.271 119.792 -1.521 17832 3262 1 9 . 1 1 35 35 GLU HA H 32 2.721 2.721 3.813 -1.092 17832 3263 1 9 . 1 1 35 35 GLU C C 32 174.785 174.785 179.044 -4.259 17832 3264 1 9 . 1 1 35 35 GLU CA C 32 57.304 57.304 60.371 -3.067 17832 3265 1 9 . 1 1 35 35 GLU CB C 32 26.997 26.997 29.120 -2.123 17832 3266 1 9 . 1 1 35 35 GLU H H 32 8.249 8.249 8.005 0.244 17832 3267 1 9 . 1 1 36 36 GLU N N 33 119.678 119.678 118.785 0.893 17832 3268 1 9 . 1 1 36 36 GLU HA H 33 3.887 3.887 4.042 -0.155 17832 3269 1 9 . 1 1 36 36 GLU C C 33 176.760 176.760 178.913 -2.153 17832 3270 1 9 . 1 1 36 36 GLU CA C 33 57.241 57.241 58.301 -1.060 17832 3271 1 9 . 1 1 36 36 GLU CB C 33 26.806 26.806 29.621 -2.815 17832 3272 1 9 . 1 1 36 36 GLU H H 33 7.971 7.971 7.618 0.353 17832 3273 1 9 . 1 1 37 37 LEU N N 34 120.144 120.144 121.788 -1.644 17832 3274 1 9 . 1 1 37 37 LEU HA H 34 4.280 4.280 4.002 0.278 17832 3275 1 9 . 1 1 37 37 LEU C C 34 174.327 174.327 178.692 -4.365 17832 3276 1 9 . 1 1 37 37 LEU CA C 34 55.502 55.502 58.043 -2.541 17832 3277 1 9 . 1 1 37 37 LEU CB C 34 39.354 39.354 42.133 -2.779 17832 3278 1 9 . 1 1 37 37 LEU H H 34 8.278 8.278 7.434 0.844 17832 3279 1 9 . 1 1 38 38 TYR N N 35 119.703 119.703 117.417 2.286 17832 3280 1 9 . 1 1 38 38 TYR HA H 35 4.070 4.070 4.143 -0.073 17832 3281 1 9 . 1 1 38 38 TYR C C 35 173.298 173.298 177.599 -4.301 17832 3282 1 9 . 1 1 38 38 TYR CA C 35 59.098 59.098 60.661 -1.563 17832 3283 1 9 . 1 1 38 38 TYR CB C 35 36.534 36.534 37.611 -1.077 17832 3284 1 9 . 1 1 38 38 TYR H H 35 8.417 8.417 8.420 -0.003 17832 3285 1 9 . 1 1 39 39 LYS N N 36 115.392 115.392 119.370 -3.978 17832 3286 1 9 . 1 1 39 39 LYS HA H 36 3.621 3.621 3.675 -0.054 17832 3287 1 9 . 1 1 39 39 LYS C C 36 176.456 176.456 178.407 -1.951 17832 3288 1 9 . 1 1 39 39 LYS CA C 36 57.011 57.011 57.965 -0.954 17832 3289 1 9 . 1 1 39 39 LYS CB C 36 29.694 29.694 31.925 -2.231 17832 3290 1 9 . 1 1 39 39 LYS H H 36 8.441 8.441 6.901 1.540 17832 3291 1 9 . 1 1 40 40 TYR N N 37 120.325 120.325 120.403 -0.078 17832 3292 1 9 . 1 1 40 40 TYR HA H 37 4.078 4.078 4.038 0.040 17832 3293 1 9 . 1 1 40 40 TYR C C 37 175.043 175.043 177.129 -2.086 17832 3294 1 9 . 1 1 40 40 TYR CA C 37 58.971 58.971 61.443 -2.472 17832 3295 1 9 . 1 1 40 40 TYR CB C 37 35.875 35.875 38.403 -2.528 17832 3296 1 9 . 1 1 40 40 TYR H H 37 8.344 8.344 8.000 0.344 17832 3297 1 9 . 1 1 41 41 ALA N N 38 121.802 121.802 120.476 1.326 17832 3298 1 9 . 1 1 41 41 ALA HA H 38 3.746 3.746 4.115 -0.369 17832 3299 1 9 . 1 1 41 41 ALA C C 38 175.962 175.962 179.738 -3.776 17832 3300 1 9 . 1 1 41 41 ALA CA C 38 51.780 51.780 54.614 -2.834 17832 3301 1 9 . 1 1 41 41 ALA CB C 38 17.381 17.381 18.611 -1.230 17832 3302 1 9 . 1 1 41 41 ALA H H 38 8.291 8.291 7.909 0.382 17832 3303 1 9 . 1 1 42 42 LEU N N 39 116.563 116.563 119.416 -2.853 17832 3304 1 9 . 1 1 42 42 LEU HA H 39 3.820 3.820 3.981 -0.161 17832 3305 1 9 . 1 1 42 42 LEU C C 39 176.020 176.020 178.986 -2.966 17832 3306 1 9 . 1 1 42 42 LEU CA C 39 54.011 54.011 57.656 -3.645 17832 3307 1 9 . 1 1 42 42 LEU CB C 39 39.796 39.796 41.907 -2.111 17832 3308 1 9 . 1 1 42 42 LEU H H 39 7.865 7.865 7.577 0.288 17832 3309 1 9 . 1 1 43 43 ASN N N 40 115.561 115.561 117.572 -2.011 17832 3310 1 9 . 1 1 43 43 ASN HA H 40 4.436 4.436 4.357 0.079 17832 3311 1 9 . 1 1 43 43 ASN C C 40 173.390 173.390 176.919 -3.529 17832 3312 1 9 . 1 1 43 43 ASN CA C 40 51.492 51.492 56.194 -4.702 17832 3313 1 9 . 1 1 43 43 ASN CB C 40 36.401 36.401 38.306 -1.905 17832 3314 1 9 . 1 1 43 43 ASN H H 40 7.467 7.467 7.805 -0.338 17832 3315 1 9 . 1 1 44 44 GLU N N 41 120.609 120.609 117.685 2.924 17832 3316 1 9 . 1 1 44 44 GLU HA H 41 3.986 3.986 4.017 -0.031 17832 3317 1 9 . 1 1 44 44 GLU C C 41 174.161 174.161 177.749 -3.588 17832 3318 1 9 . 1 1 44 44 GLU CA C 41 54.775 54.775 58.630 -3.855 17832 3319 1 9 . 1 1 44 44 GLU CB C 41 27.094 27.094 29.140 -2.046 17832 3320 1 9 . 1 1 44 44 GLU H H 41 7.817 7.817 7.545 0.272 17832 3321 1 9 . 1 1 45 45 ASN N N 42 118.453 118.453 115.689 2.764 17832 3322 1 9 . 1 1 45 45 ASN HA H 42 4.618 4.618 4.555 0.063 17832 3323 1 9 . 1 1 45 45 ASN C C 42 172.912 172.912 176.666 -3.754 17832 3324 1 9 . 1 1 45 45 ASN CA C 42 50.988 50.988 55.066 -4.077 17832 3325 1 9 . 1 1 45 45 ASN CB C 42 36.267 36.267 38.523 -2.256 17832 3326 1 9 . 1 1 45 45 ASN H H 42 8.087 8.087 7.781 0.306 17832 3327 1 9 . 1 1 46 46 SER N N 43 115.581 115.581 114.832 0.749 17832 3328 1 9 . 1 1 46 46 SER HA H 43 4.292 4.292 4.312 -0.020 17832 3329 1 9 . 1 1 46 46 SER C C 43 172.136 172.136 174.697 -2.561 17832 3330 1 9 . 1 1 46 46 SER CA C 43 56.202 56.202 60.539 -4.337 17832 3331 1 9 . 1 1 46 46 SER CB C 43 60.909 60.909 63.931 -3.022 17832 3332 1 9 . 1 1 46 46 SER H H 43 8.062 8.062 7.938 0.124 17832 3333 1 9 . 1 1 47 47 ASN N N 44 120.517 120.517 115.271 5.246 17832 3334 1 9 . 1 1 47 47 ASN HA H 44 4.617 4.617 4.737 -0.120 17832 3335 1 9 . 1 1 47 47 ASN C C 44 172.545 172.545 174.124 -1.579 17832 3336 1 9 . 1 1 47 47 ASN CA C 44 51.174 51.174 54.368 -3.194 17832 3337 1 9 . 1 1 47 47 ASN CB C 44 36.208 36.208 39.525 -3.317 17832 3338 1 9 . 1 1 47 47 ASN H H 44 8.329 8.329 7.820 0.509 17832 3339 1 9 . 1 1 48 48 ASP N N 45 120.294 120.294 118.130 2.164 17832 3340 1 9 . 1 1 48 48 ASP HA H 45 4.500 4.500 4.639 -0.139 17832 3341 1 9 . 1 1 48 48 ASP C C 45 173.835 173.835 174.998 -1.163 17832 3342 1 9 . 1 1 48 48 ASP CA C 45 52.030 52.030 54.547 -2.517 17832 3343 1 9 . 1 1 48 48 ASP CB C 45 38.326 38.326 42.685 -4.359 17832 3344 1 9 . 1 1 48 48 ASP H H 45 8.220 8.220 8.358 -0.138 17832 3345 1 9 . 1 1 49 49 ARG N N 46 121.139 121.139 119.248 1.891 17832 3346 1 9 . 1 1 49 49 ARG HA H 46 4.274 4.274 4.519 -0.245 17832 3347 1 9 . 1 1 49 49 ARG C C 46 174.032 174.032 174.777 -0.745 17832 3348 1 9 . 1 1 49 49 ARG CA C 46 53.425 53.425 55.365 -1.940 17832 3349 1 9 . 1 1 49 49 ARG CB C 46 27.615 27.615 32.826 -5.211 17832 3350 1 9 . 1 1 49 49 ARG H H 46 8.180 8.180 7.812 0.368 17832 3351 1 9 . 1 1 50 50 SER N N 47 116.289 116.289 115.264 1.025 17832 3352 1 9 . 1 1 50 50 SER HA H 47 4.269 4.269 4.721 -0.452 17832 3353 1 9 . 1 1 50 50 SER C C 47 172.337 172.337 173.312 -0.975 17832 3354 1 9 . 1 1 50 50 SER CA C 47 56.379 56.379 57.418 -1.039 17832 3355 1 9 . 1 1 50 50 SER CB C 47 60.970 60.970 64.701 -3.731 17832 3356 1 9 . 1 1 50 50 SER H H 47 8.236 8.236 8.218 0.018 17832 3357 1 9 . 1 1 51 51 GLU N N 48 122.019 122.019 120.820 1.199 17832 3358 1 9 . 1 1 51 51 GLU HA H 48 4.134 4.134 4.561 -0.427 17832 3359 1 9 . 1 1 51 51 GLU C C 48 174.002 174.002 175.262 -1.260 17832 3360 1 9 . 1 1 51 51 GLU CA C 48 54.285 54.285 55.634 -1.349 17832 3361 1 9 . 1 1 51 51 GLU CB C 48 27.192 27.192 31.043 -3.851 17832 3362 1 9 . 1 1 51 51 GLU H H 48 8.423 8.423 8.397 0.026 17832 3363 1 9 . 1 1 52 52 HIS N N 49 119.075 119.075 119.456 -0.381 17832 3364 1 9 . 1 1 52 52 HIS HA H 49 4.486 4.486 5.055 -0.569 17832 3365 1 9 . 1 1 52 52 HIS C C 49 172.663 172.663 174.268 -1.605 17832 3366 1 9 . 1 1 52 52 HIS CA C 49 53.775 53.775 56.162 -2.387 17832 3367 1 9 . 1 1 52 52 HIS CB C 49 27.714 27.714 30.284 -2.570 17832 3368 1 9 . 1 1 52 52 HIS H H 49 8.117 8.117 8.446 -0.329 17832 3369 1 9 . 1 1 53 53 HIS N N 50 119.483 119.483 122.406 -2.923 17832 3370 1 9 . 1 1 53 53 HIS HA H 50 4.538 4.538 4.815 -0.277 17832 3371 1 9 . 1 1 53 53 HIS C C 50 172.355 172.355 175.108 -2.753 17832 3372 1 9 . 1 1 53 53 HIS CA C 50 53.433 53.433 55.788 -2.355 17832 3373 1 9 . 1 1 53 53 HIS CB C 50 27.694 27.694 32.558 -4.864 17832 3374 1 9 . 1 1 53 53 HIS H H 50 8.068 8.068 8.616 -0.548 17832 3375 1 9 . 1 1 54 54 LYS N N 51 122.136 122.136 122.265 -0.129 17832 3376 1 9 . 1 1 54 54 LYS HA H 51 4.215 4.215 4.218 -0.003 17832 3377 1 9 . 1 1 54 54 LYS C C 51 173.474 173.474 176.441 -2.967 17832 3378 1 9 . 1 1 54 54 LYS CA C 51 53.445 53.445 57.055 -3.610 17832 3379 1 9 . 1 1 54 54 LYS CB C 51 30.329 30.329 32.960 -2.631 17832 3380 1 9 . 1 1 54 54 LYS H H 51 8.121 8.121 8.329 -0.208 17832 3381 1 9 . 1 1 55 55 LYS N N 52 124.022 124.022 117.272 6.750 17832 3382 1 9 . 1 1 55 55 LYS HA H 52 4.508 4.508 4.452 0.056 17832 3383 1 9 . 1 1 55 55 LYS C C 52 171.685 171.685 174.152 -2.467 17832 3384 1 9 . 1 1 55 55 LYS CA C 52 51.516 51.516 56.511 -4.995 17832 3385 1 9 . 1 1 55 55 LYS CB C 52 29.818 29.818 32.637 -2.819 17832 3386 1 9 . 1 1 55 55 LYS H H 52 8.262 8.262 8.361 -0.099 17832 3387 1 9 . 1 1 56 56 PRO HA H 53 4.340 4.340 4.450 -0.110 17832 3388 1 9 . 1 1 56 56 PRO C C 53 173.830 173.830 176.474 -2.644 17832 3389 1 9 . 1 1 56 56 PRO CA C 53 60.496 60.496 63.427 -2.931 17832 3390 1 9 . 1 1 56 56 PRO CB C 53 29.444 29.444 31.589 -2.145 17832 3391 1 9 . 1 1 57 57 ARG N N 54 121.870 121.870 124.462 -2.592 17832 3392 1 9 . 1 1 57 57 ARG HA H 54 4.279 4.279 4.560 -0.281 17832 3393 1 9 . 1 1 57 57 ARG C C 54 173.560 173.560 175.099 -1.539 17832 3394 1 9 . 1 1 57 57 ARG CA C 54 53.172 53.172 56.002 -2.830 17832 3395 1 9 . 1 1 57 57 ARG CB C 54 28.273 28.273 30.849 -2.576 17832 3396 1 9 . 1 1 57 57 ARG H H 54 8.396 8.396 8.470 -0.074 17832 3397 1 9 . 1 1 58 58 ILE N N 55 122.683 122.683 121.472 1.211 17832 3398 1 9 . 1 1 58 58 ILE HA H 55 4.117 4.117 3.839 0.278 17832 3399 1 9 . 1 1 58 58 ILE C C 55 173.034 173.034 175.441 -2.407 17832 3400 1 9 . 1 1 58 58 ILE CA C 55 58.378 58.378 61.525 -3.147 17832 3401 1 9 . 1 1 58 58 ILE CB C 55 36.113 36.113 38.130 -2.017 17832 3402 1 9 . 1 1 58 58 ILE H H 55 8.258 8.258 8.215 0.043 17832 3403 1 9 . 1 1 59 59 ASP N N 56 123.975 123.975 127.902 -3.927 17832 3404 1 9 . 1 1 59 59 ASP HA H 56 4.581 4.581 4.572 0.009 17832 3405 1 9 . 1 1 59 59 ASP C C 56 172.780 172.780 175.529 -2.749 17832 3406 1 9 . 1 1 59 59 ASP CA C 56 51.525 51.525 54.945 -3.420 17832 3407 1 9 . 1 1 59 59 ASP CB C 56 38.460 38.460 40.360 -1.900 17832 3408 1 9 . 1 1 59 59 ASP H H 56 8.364 8.364 8.567 -0.203 17832 3409 1 9 . 1 1 60 60 ASP N N 57 121.471 121.471 123.550 -2.079 17832 3410 1 9 . 1 1 60 60 ASP HA H 57 4.563 4.563 4.835 -0.272 17832 3411 1 9 . 1 1 60 60 ASP C C 57 173.851 173.851 174.629 -0.778 17832 3412 1 9 . 1 1 60 60 ASP CA C 57 51.586 51.586 53.834 -2.248 17832 3413 1 9 . 1 1 60 60 ASP CB C 57 38.468 38.468 41.572 -3.104 17832 3414 1 9 . 1 1 60 60 ASP H H 57 8.393 8.393 8.062 0.331 17832 3415 1 9 . 1 1 61 61 SER N N 58 116.207 116.207 115.215 0.992 17832 3416 1 9 . 1 1 61 61 SER C C 58 172.389 172.389 174.288 -1.899 17832 3417 1 9 . 1 1 61 61 SER CA C 58 56.129 56.129 57.833 -1.704 17832 3418 1 9 . 1 1 61 61 SER CB C 58 60.945 60.945 65.056 -4.111 17832 3419 1 9 . 1 1 61 61 SER H H 58 8.331 8.331 8.244 0.087 17832 3420 1 9 . 1 1 62 62 SER N N 59 117.805 117.805 119.547 -1.742 17832 3421 1 9 . 1 1 62 62 SER C C 59 171.778 171.778 173.280 -1.502 17832 3422 1 9 . 1 1 62 62 SER CA C 59 56.290 56.290 58.265 -1.975 17832 3423 1 9 . 1 1 62 62 SER CB C 59 60.930 60.930 64.531 -3.601 17832 3424 1 9 . 1 1 62 62 SER H H 59 8.334 8.334 8.520 -0.186 17832 3425 1 9 . 1 1 63 63 ASP N N 60 122.124 122.124 125.326 -3.202 17832 3426 1 9 . 1 1 63 63 ASP HA H 60 4.512 4.512 4.826 -0.314 17832 3427 1 9 . 1 1 63 63 ASP C C 60 173.550 173.550 175.218 -1.668 17832 3428 1 9 . 1 1 63 63 ASP CA C 60 51.916 51.916 53.995 -2.079 17832 3429 1 9 . 1 1 63 63 ASP CB C 60 38.264 38.264 42.559 -4.295 17832 3430 1 9 . 1 1 63 63 ASP H H 60 8.278 8.278 8.586 -0.308 17832 3431 1 9 . 1 1 64 64 LEU N N 61 121.450 121.450 124.690 -3.240 17832 3432 1 9 . 1 1 64 64 LEU HA H 61 4.223 4.223 4.517 -0.294 17832 3433 1 9 . 1 1 64 64 LEU C C 61 174.603 174.603 176.382 -1.779 17832 3434 1 9 . 1 1 64 64 LEU CA C 61 52.640 52.640 55.695 -3.055 17832 3435 1 9 . 1 1 64 64 LEU CB C 61 39.502 39.502 41.935 -2.433 17832 3436 1 9 . 1 1 64 64 LEU H H 61 7.931 7.931 8.703 -0.772 17832 3437 1 9 . 1 1 65 65 LEU N N 62 122.042 122.042 116.095 5.947 17832 3438 1 9 . 1 1 65 65 LEU HA H 62 4.273 4.273 4.540 -0.267 17832 3439 1 9 . 1 1 65 65 LEU C C 62 174.372 174.372 178.239 -3.867 17832 3440 1 9 . 1 1 65 65 LEU CA C 62 52.339 52.339 55.301 -2.962 17832 3441 1 9 . 1 1 65 65 LEU CB C 62 39.426 39.426 41.611 -2.185 17832 3442 1 9 . 1 1 65 65 LEU H H 62 8.023 8.023 7.492 0.531 17832 3443 1 9 . 1 1 66 66 LYS N N 63 122.782 122.782 120.546 2.236 17832 3444 1 9 . 1 1 66 66 LYS HA H 63 4.349 4.349 4.078 0.271 17832 3445 1 9 . 1 1 66 66 LYS C C 63 173.936 173.936 177.379 -3.443 17832 3446 1 9 . 1 1 66 66 LYS CA C 63 53.305 53.305 59.061 -5.756 17832 3447 1 9 . 1 1 66 66 LYS CB C 63 30.305 30.305 32.446 -2.141 17832 3448 1 9 . 1 1 66 66 LYS H H 63 8.145 8.145 8.501 -0.356 17832 3449 1 9 . 1 1 67 67 THR N N 64 115.478 115.478 110.231 5.247 17832 3450 1 9 . 1 1 67 67 THR HA H 64 4.298 4.298 3.859 0.439 17832 3451 1 9 . 1 1 67 67 THR C C 64 171.473 171.473 174.187 -2.714 17832 3452 1 9 . 1 1 67 67 THR CA C 64 58.943 58.943 64.192 -5.249 17832 3453 1 9 . 1 1 67 67 THR CB C 64 67.038 67.038 67.367 -0.329 17832 3454 1 9 . 1 1 67 67 THR H H 64 8.196 8.196 8.198 -0.002 17832 3455 1 9 . 1 1 68 68 ASP N N 65 122.013 122.013 124.887 -2.874 17832 3456 1 9 . 1 1 68 68 ASP C C 65 173.191 173.191 175.972 -2.781 17832 3457 1 9 . 1 1 68 68 ASP CA C 65 51.628 51.628 55.567 -3.939 17832 3458 1 9 . 1 1 68 68 ASP CB C 65 38.495 38.495 40.297 -1.802 17832 3459 1 9 . 1 1 68 68 ASP H H 65 8.307 8.307 8.272 0.035 17832 3460 1 9 . 1 1 69 69 GLU N N 66 121.260 121.260 118.667 2.593 17832 3461 1 9 . 1 1 69 69 GLU HA H 66 4.235 4.235 3.909 0.326 17832 3462 1 9 . 1 1 69 69 GLU C C 66 172.706 172.706 175.568 -2.862 17832 3463 1 9 . 1 1 69 69 GLU CA C 66 53.881 53.881 56.916 -3.035 17832 3464 1 9 . 1 1 69 69 GLU CB C 66 27.731 27.731 30.115 -2.384 17832 3465 1 9 . 1 1 69 69 GLU H H 66 8.216 8.216 8.530 -0.314 17832 3466 1 10 . 1 1 3 3 MET C C 0 173.346 173.346 174.221 -0.875 17832 3467 1 10 . 1 1 3 3 MET CA C 0 52.930 52.930 55.437 -2.507 17832 3468 1 10 . 1 1 3 3 MET CB C 0 29.966 29.966 32.988 -3.022 17832 3469 1 10 . 1 1 4 4 MET N N 1 121.822 121.822 123.470 -1.648 17832 3470 1 10 . 1 1 4 4 MET HA H 1 4.378 4.378 4.971 -0.593 17832 3471 1 10 . 1 1 4 4 MET C C 1 173.585 173.585 175.528 -1.943 17832 3472 1 10 . 1 1 4 4 MET CA C 1 52.943 52.943 55.444 -2.501 17832 3473 1 10 . 1 1 4 4 MET CB C 1 30.112 30.112 34.450 -4.338 17832 3474 1 10 . 1 1 4 4 MET H H 1 8.553 8.553 8.181 0.372 17832 3475 1 10 . 1 1 5 5 SER N N 2 117.291 117.291 117.122 0.169 17832 3476 1 10 . 1 1 5 5 SER HA H 2 4.402 4.402 4.533 -0.131 17832 3477 1 10 . 1 1 5 5 SER C C 2 171.427 171.427 173.646 -2.219 17832 3478 1 10 . 1 1 5 5 SER CA C 2 55.920 55.920 58.149 -2.229 17832 3479 1 10 . 1 1 5 5 SER CB C 2 61.033 61.033 64.032 -2.999 17832 3480 1 10 . 1 1 5 5 SER H H 2 8.337 8.337 8.409 -0.072 17832 3481 1 10 . 1 1 6 6 LYS N N 3 121.932 121.932 125.881 -3.949 17832 3482 1 10 . 1 1 6 6 LYS HA H 3 4.282 4.282 4.315 -0.033 17832 3483 1 10 . 1 1 6 6 LYS C C 3 173.822 173.822 175.783 -1.961 17832 3484 1 10 . 1 1 6 6 LYS CA C 3 53.556 53.556 56.183 -2.627 17832 3485 1 10 . 1 1 6 6 LYS CB C 3 30.569 30.569 31.916 -1.347 17832 3486 1 10 . 1 1 6 6 LYS H H 3 8.216 8.216 8.712 -0.496 17832 3487 1 10 . 1 1 7 7 LEU N N 4 123.131 123.131 126.180 -3.049 17832 3488 1 10 . 1 1 7 7 LEU HA H 4 4.310 4.310 4.402 -0.092 17832 3489 1 10 . 1 1 7 7 LEU C C 4 176.226 176.226 175.437 0.789 17832 3490 1 10 . 1 1 7 7 LEU CA C 4 52.753 52.753 55.146 -2.393 17832 3491 1 10 . 1 1 7 7 LEU CB C 4 39.626 39.626 41.702 -2.076 17832 3492 1 10 . 1 1 7 7 LEU H H 4 8.301 8.301 8.357 -0.056 17832 3493 1 10 . 1 1 8 8 PHE N N 5 122.547 122.547 123.416 -0.869 17832 3494 1 10 . 1 1 8 8 PHE HA H 5 4.313 4.313 4.675 -0.362 17832 3495 1 10 . 1 1 8 8 PHE CA C 5 56.963 56.963 58.702 -1.739 17832 3496 1 10 . 1 1 8 8 PHE CB C 5 35.205 35.205 41.154 -5.949 17832 3497 1 10 . 1 1 8 8 PHE H H 5 8.764 8.764 8.000 0.764 17832 3498 1 10 . 1 1 9 9 LEU HA H 6 3.079 3.079 4.167 -1.088 17832 3499 1 10 . 1 1 9 9 LEU C C 6 175.830 175.830 177.282 -1.452 17832 3500 1 10 . 1 1 9 9 LEU CA C 6 54.075 54.075 56.892 -2.817 17832 3501 1 10 . 1 1 9 9 LEU CB C 6 38.429 38.429 42.054 -3.625 17832 3502 1 10 . 1 1 10 10 ASP N N 7 116.164 116.164 117.199 -1.035 17832 3503 1 10 . 1 1 10 10 ASP HA H 7 4.294 4.294 4.687 -0.393 17832 3504 1 10 . 1 1 10 10 ASP C C 7 174.240 174.240 175.593 -1.353 17832 3505 1 10 . 1 1 10 10 ASP CA C 7 53.201 53.201 54.267 -1.066 17832 3506 1 10 . 1 1 10 10 ASP CB C 7 37.826 37.826 40.241 -2.415 17832 3507 1 10 . 1 1 10 10 ASP H H 7 7.488 7.488 8.438 -0.950 17832 3508 1 10 . 1 1 11 11 GLU N N 8 116.711 116.711 118.577 -1.866 17832 3509 1 10 . 1 1 11 11 GLU HA H 8 4.296 4.296 4.431 -0.135 17832 3510 1 10 . 1 1 11 11 GLU C C 8 173.322 173.322 175.243 -1.921 17832 3511 1 10 . 1 1 11 11 GLU CA C 8 53.231 53.231 55.789 -2.558 17832 3512 1 10 . 1 1 11 11 GLU CB C 8 27.333 27.333 29.870 -2.537 17832 3513 1 10 . 1 1 11 11 GLU H H 8 7.496 7.496 7.641 -0.145 17832 3514 1 10 . 1 1 12 12 LEU N N 9 117.751 117.751 116.143 1.608 17832 3515 1 10 . 1 1 12 12 LEU HA H 9 4.313 4.313 4.542 -0.229 17832 3516 1 10 . 1 1 12 12 LEU C C 9 171.541 171.541 173.966 -2.425 17832 3517 1 10 . 1 1 12 12 LEU CA C 9 49.264 49.264 52.929 -3.665 17832 3518 1 10 . 1 1 12 12 LEU CB C 9 38.581 38.581 41.018 -2.437 17832 3519 1 10 . 1 1 12 12 LEU H H 9 6.803 6.803 7.379 -0.576 17832 3520 1 10 . 1 1 13 13 PRO HA H 10 4.311 4.311 4.339 -0.028 17832 3521 1 10 . 1 1 13 13 PRO C C 10 174.746 174.746 177.759 -3.013 17832 3522 1 10 . 1 1 13 13 PRO CA C 10 60.083 60.083 62.918 -2.835 17832 3523 1 10 . 1 1 13 13 PRO CB C 10 29.131 29.131 32.399 -3.268 17832 3524 1 10 . 1 1 14 14 GLU N N 11 125.693 125.693 125.185 0.508 17832 3525 1 10 . 1 1 14 14 GLU HA H 11 3.854 3.854 3.894 -0.040 17832 3526 1 10 . 1 1 14 14 GLU C C 11 175.180 175.180 178.262 -3.082 17832 3527 1 10 . 1 1 14 14 GLU CA C 11 57.035 57.035 59.675 -2.640 17832 3528 1 10 . 1 1 14 14 GLU CB C 11 26.761 26.761 29.737 -2.976 17832 3529 1 10 . 1 1 14 14 GLU H H 11 8.777 8.777 8.919 -0.142 17832 3530 1 10 . 1 1 15 15 SER N N 12 111.734 111.734 113.841 -2.107 17832 3531 1 10 . 1 1 15 15 SER HA H 12 3.884 3.884 4.207 -0.323 17832 3532 1 10 . 1 1 15 15 SER C C 12 173.687 173.687 176.317 -2.630 17832 3533 1 10 . 1 1 15 15 SER CA C 12 58.230 58.230 61.169 -2.939 17832 3534 1 10 . 1 1 15 15 SER CB C 12 58.977 58.977 62.226 -3.249 17832 3535 1 10 . 1 1 15 15 SER H H 12 8.563 8.563 8.417 0.146 17832 3536 1 10 . 1 1 16 16 LEU N N 13 122.925 122.925 121.519 1.406 17832 3537 1 10 . 1 1 16 16 LEU HA H 13 4.081 4.081 4.176 -0.095 17832 3538 1 10 . 1 1 16 16 LEU C C 13 175.385 175.385 178.575 -3.190 17832 3539 1 10 . 1 1 16 16 LEU CA C 13 54.057 54.057 57.557 -3.500 17832 3540 1 10 . 1 1 16 16 LEU CB C 13 39.498 39.498 41.932 -2.434 17832 3541 1 10 . 1 1 16 16 LEU H H 13 6.828 6.828 7.650 -0.822 17832 3542 1 10 . 1 1 17 17 SER N N 14 114.839 114.839 115.487 -0.648 17832 3543 1 10 . 1 1 17 17 SER HA H 14 3.585 3.585 4.118 -0.533 17832 3544 1 10 . 1 1 17 17 SER C C 14 175.435 175.435 177.108 -1.673 17832 3545 1 10 . 1 1 17 17 SER CA C 14 58.835 58.835 61.814 -2.979 17832 3546 1 10 . 1 1 17 17 SER CB C 14 59.345 59.345 62.358 -3.013 17832 3547 1 10 . 1 1 17 17 SER H H 14 8.266 8.266 7.870 0.396 17832 3548 1 10 . 1 1 18 18 ARG N N 15 121.474 121.474 121.871 -0.397 17832 3549 1 10 . 1 1 18 18 ARG HA H 15 3.897 3.897 4.110 -0.213 17832 3550 1 10 . 1 1 18 18 ARG C C 15 176.749 176.749 178.498 -1.749 17832 3551 1 10 . 1 1 18 18 ARG CA C 15 56.827 56.827 59.094 -2.267 17832 3552 1 10 . 1 1 18 18 ARG CB C 15 27.154 27.154 30.111 -2.957 17832 3553 1 10 . 1 1 18 18 ARG H H 15 8.385 8.385 7.725 0.660 17832 3554 1 10 . 1 1 19 19 LYS N N 16 119.494 119.494 119.724 -0.230 17832 3555 1 10 . 1 1 19 19 LYS HA H 16 3.947 3.947 4.183 -0.236 17832 3556 1 10 . 1 1 19 19 LYS C C 16 177.319 177.319 179.116 -1.797 17832 3557 1 10 . 1 1 19 19 LYS CA C 16 57.412 57.412 59.018 -1.606 17832 3558 1 10 . 1 1 19 19 LYS CB C 16 30.432 30.432 32.380 -1.948 17832 3559 1 10 . 1 1 19 19 LYS H H 16 7.269 7.269 7.667 -0.398 17832 3560 1 10 . 1 1 20 20 ILE N N 17 120.972 120.972 120.426 0.546 17832 3561 1 10 . 1 1 20 20 ILE HA H 17 2.813 2.813 3.784 -0.971 17832 3562 1 10 . 1 1 20 20 ILE C C 17 175.324 175.324 177.800 -2.476 17832 3563 1 10 . 1 1 20 20 ILE CA C 17 63.012 63.012 65.306 -2.295 17832 3564 1 10 . 1 1 20 20 ILE CB C 17 34.710 34.710 37.958 -3.248 17832 3565 1 10 . 1 1 20 20 ILE H H 17 7.993 7.993 8.103 -0.110 17832 3566 1 10 . 1 1 21 21 GLY N N 18 106.894 106.894 106.920 -0.026 17832 3567 1 10 . 1 1 21 21 GLY C C 18 173.161 173.161 175.714 -2.553 17832 3568 1 10 . 1 1 21 21 GLY CA C 18 44.450 44.450 47.646 -3.196 17832 3569 1 10 . 1 1 21 21 GLY H H 18 8.259 8.259 8.415 -0.156 17832 3570 1 10 . 1 1 22 22 THR N N 19 113.696 113.696 114.612 -0.916 17832 3571 1 10 . 1 1 22 22 THR HA H 19 3.946 3.946 4.175 -0.229 17832 3572 1 10 . 1 1 22 22 THR C C 19 173.081 173.081 176.091 -3.010 17832 3573 1 10 . 1 1 22 22 THR CA C 19 62.984 62.984 65.034 -2.050 17832 3574 1 10 . 1 1 22 22 THR CB C 19 66.403 66.403 68.940 -2.537 17832 3575 1 10 . 1 1 22 22 THR H H 19 7.502 7.502 7.525 -0.023 17832 3576 1 10 . 1 1 23 23 VAL N N 20 123.120 123.120 119.819 3.301 17832 3577 1 10 . 1 1 23 23 VAL HA H 20 3.649 3.649 3.945 -0.296 17832 3578 1 10 . 1 1 23 23 VAL C C 20 174.858 174.858 178.193 -3.335 17832 3579 1 10 . 1 1 23 23 VAL CA C 20 62.761 62.761 65.299 -2.538 17832 3580 1 10 . 1 1 23 23 VAL CB C 20 29.222 29.222 31.742 -2.520 17832 3581 1 10 . 1 1 23 23 VAL H H 20 7.168 7.168 7.640 -0.472 17832 3582 1 10 . 1 1 24 24 VAL N N 21 119.729 119.729 119.690 0.039 17832 3583 1 10 . 1 1 24 24 VAL HA H 21 3.541 3.541 3.791 -0.250 17832 3584 1 10 . 1 1 24 24 VAL C C 21 174.410 174.410 177.439 -3.029 17832 3585 1 10 . 1 1 24 24 VAL CA C 21 61.966 61.966 65.244 -3.278 17832 3586 1 10 . 1 1 24 24 VAL CB C 21 29.360 29.360 31.163 -1.802 17832 3587 1 10 . 1 1 24 24 VAL H H 21 8.129 8.129 8.739 -0.610 17832 3588 1 10 . 1 1 25 25 ARG N N 22 116.239 116.239 119.130 -2.891 17832 3589 1 10 . 1 1 25 25 ARG HA H 22 3.952 3.952 4.062 -0.110 17832 3590 1 10 . 1 1 25 25 ARG C C 22 174.899 174.899 177.512 -2.613 17832 3591 1 10 . 1 1 25 25 ARG CA C 22 56.097 56.097 58.646 -2.549 17832 3592 1 10 . 1 1 25 25 ARG CB C 22 27.473 27.473 30.289 -2.816 17832 3593 1 10 . 1 1 25 25 ARG H H 22 7.633 7.633 7.606 0.027 17832 3594 1 10 . 1 1 26 26 VAL N N 23 115.006 115.006 118.018 -3.012 17832 3595 1 10 . 1 1 26 26 VAL HA H 23 3.995 3.995 3.900 0.095 17832 3596 1 10 . 1 1 26 26 VAL C C 23 173.187 173.187 176.527 -3.340 17832 3597 1 10 . 1 1 26 26 VAL CA C 23 61.107 61.107 65.418 -4.311 17832 3598 1 10 . 1 1 26 26 VAL CB C 23 29.977 29.977 32.667 -2.690 17832 3599 1 10 . 1 1 26 26 VAL H H 23 6.886 6.886 7.521 -0.635 17832 3600 1 10 . 1 1 27 27 LEU N N 24 120.940 120.940 119.244 1.696 17832 3601 1 10 . 1 1 27 27 LEU HA H 24 4.930 4.930 4.890 0.040 17832 3602 1 10 . 1 1 27 27 LEU C C 24 171.363 171.363 174.757 -3.394 17832 3603 1 10 . 1 1 27 27 LEU CA C 24 48.752 48.752 52.524 -3.772 17832 3604 1 10 . 1 1 27 27 LEU CB C 24 40.669 40.669 42.375 -1.706 17832 3605 1 10 . 1 1 27 27 LEU H H 24 8.338 8.338 7.513 0.825 17832 3606 1 10 . 1 1 28 28 PRO HA H 25 4.767 4.767 4.339 0.428 17832 3607 1 10 . 1 1 28 28 PRO C C 25 176.742 176.742 177.989 -1.247 17832 3608 1 10 . 1 1 28 28 PRO CA C 25 63.453 63.453 65.152 -1.699 17832 3609 1 10 . 1 1 28 28 PRO CB C 25 29.004 29.004 31.726 -2.722 17832 3610 1 10 . 1 1 29 29 SER N N 26 111.726 111.726 113.182 -1.456 17832 3611 1 10 . 1 1 29 29 SER HA H 26 4.422 4.422 4.342 0.080 17832 3612 1 10 . 1 1 29 29 SER C C 26 172.811 172.811 175.906 -3.095 17832 3613 1 10 . 1 1 29 29 SER CA C 26 57.331 57.331 61.050 -3.719 17832 3614 1 10 . 1 1 29 29 SER CB C 26 59.552 59.552 62.756 -3.204 17832 3615 1 10 . 1 1 29 29 SER H H 26 8.279 8.279 8.410 -0.131 17832 3616 1 10 . 1 1 30 30 SER N N 27 116.503 116.503 118.889 -2.386 17832 3617 1 10 . 1 1 30 30 SER HA H 27 4.103 4.103 3.996 0.107 17832 3618 1 10 . 1 1 30 30 SER C C 27 174.324 174.324 175.766 -1.442 17832 3619 1 10 . 1 1 30 30 SER CA C 27 58.661 58.661 60.667 -2.006 17832 3620 1 10 . 1 1 30 30 SER CB C 27 61.593 61.593 62.934 -1.341 17832 3621 1 10 . 1 1 30 30 SER H H 27 8.642 8.642 7.819 0.823 17832 3622 1 10 . 1 1 31 31 LEU N N 28 126.322 126.322 120.835 5.487 17832 3623 1 10 . 1 1 31 31 LEU HA H 28 4.281 4.281 3.877 0.404 17832 3624 1 10 . 1 1 31 31 LEU C C 28 175.385 175.385 177.567 -2.182 17832 3625 1 10 . 1 1 31 31 LEU CA C 28 56.992 56.992 58.037 -1.045 17832 3626 1 10 . 1 1 31 31 LEU CB C 28 38.241 38.241 41.544 -3.303 17832 3627 1 10 . 1 1 31 31 LEU H H 28 7.634 7.634 7.519 0.115 17832 3628 1 10 . 1 1 32 32 GLU N N 29 114.812 114.812 118.127 -3.315 17832 3629 1 10 . 1 1 32 32 GLU HA H 29 4.230 4.230 3.884 0.346 17832 3630 1 10 . 1 1 32 32 GLU C C 29 175.711 175.711 179.074 -3.363 17832 3631 1 10 . 1 1 32 32 GLU CA C 29 56.205 56.205 58.985 -2.780 17832 3632 1 10 . 1 1 32 32 GLU CB C 29 26.903 26.903 28.847 -1.944 17832 3633 1 10 . 1 1 32 32 GLU H H 29 8.283 8.283 8.165 0.118 17832 3634 1 10 . 1 1 33 33 ILE N N 30 121.972 121.972 118.588 3.384 17832 3635 1 10 . 1 1 33 33 ILE HA H 30 3.773 3.773 3.692 0.081 17832 3636 1 10 . 1 1 33 33 ILE C C 30 175.177 175.177 177.841 -2.664 17832 3637 1 10 . 1 1 33 33 ILE CA C 30 62.116 62.116 64.364 -2.248 17832 3638 1 10 . 1 1 33 33 ILE CB C 30 35.018 35.018 37.739 -2.720 17832 3639 1 10 . 1 1 33 33 ILE H H 30 7.477 7.477 7.138 0.339 17832 3640 1 10 . 1 1 34 34 PHE N N 31 117.727 117.727 118.620 -0.893 17832 3641 1 10 . 1 1 34 34 PHE HA H 31 4.208 4.208 4.350 -0.142 17832 3642 1 10 . 1 1 34 34 PHE C C 31 174.731 174.731 177.987 -3.256 17832 3643 1 10 . 1 1 34 34 PHE CA C 31 61.035 61.035 58.476 2.559 17832 3644 1 10 . 1 1 34 34 PHE CB C 31 36.224 36.224 37.564 -1.340 17832 3645 1 10 . 1 1 34 34 PHE H H 31 8.137 8.137 6.824 1.313 17832 3646 1 10 . 1 1 35 35 GLU N N 32 118.271 118.271 121.185 -2.914 17832 3647 1 10 . 1 1 35 35 GLU HA H 32 2.721 2.721 4.414 -1.693 17832 3648 1 10 . 1 1 35 35 GLU C C 32 174.785 174.785 178.745 -3.960 17832 3649 1 10 . 1 1 35 35 GLU CA C 32 57.304 57.304 60.386 -3.082 17832 3650 1 10 . 1 1 35 35 GLU CB C 32 26.997 26.997 29.525 -2.528 17832 3651 1 10 . 1 1 35 35 GLU H H 32 8.249 8.249 8.059 0.190 17832 3652 1 10 . 1 1 36 36 GLU N N 33 119.678 119.678 118.980 0.698 17832 3653 1 10 . 1 1 36 36 GLU HA H 33 3.887 3.887 4.011 -0.124 17832 3654 1 10 . 1 1 36 36 GLU C C 33 176.760 176.760 178.997 -2.237 17832 3655 1 10 . 1 1 36 36 GLU CA C 33 57.241 57.241 58.995 -1.754 17832 3656 1 10 . 1 1 36 36 GLU CB C 33 26.806 26.806 29.580 -2.774 17832 3657 1 10 . 1 1 36 36 GLU H H 33 7.971 7.971 7.559 0.412 17832 3658 1 10 . 1 1 37 37 LEU N N 34 120.144 120.144 121.677 -1.533 17832 3659 1 10 . 1 1 37 37 LEU HA H 34 4.280 4.280 4.056 0.224 17832 3660 1 10 . 1 1 37 37 LEU C C 34 174.327 174.327 178.805 -4.478 17832 3661 1 10 . 1 1 37 37 LEU CA C 34 55.502 55.502 58.117 -2.615 17832 3662 1 10 . 1 1 37 37 LEU CB C 34 39.354 39.354 42.184 -2.830 17832 3663 1 10 . 1 1 37 37 LEU H H 34 8.278 8.278 7.573 0.705 17832 3664 1 10 . 1 1 38 38 TYR N N 35 119.703 119.703 117.006 2.697 17832 3665 1 10 . 1 1 38 38 TYR HA H 35 4.070 4.070 4.249 -0.179 17832 3666 1 10 . 1 1 38 38 TYR C C 35 173.298 173.298 177.744 -4.446 17832 3667 1 10 . 1 1 38 38 TYR CA C 35 59.098 59.098 60.477 -1.379 17832 3668 1 10 . 1 1 38 38 TYR CB C 35 36.534 36.534 37.731 -1.197 17832 3669 1 10 . 1 1 38 38 TYR H H 35 8.417 8.417 8.513 -0.096 17832 3670 1 10 . 1 1 39 39 LYS N N 36 115.392 115.392 119.337 -3.945 17832 3671 1 10 . 1 1 39 39 LYS HA H 36 3.621 3.621 3.832 -0.211 17832 3672 1 10 . 1 1 39 39 LYS C C 36 176.456 176.456 178.442 -1.986 17832 3673 1 10 . 1 1 39 39 LYS CA C 36 57.011 57.011 57.676 -0.665 17832 3674 1 10 . 1 1 39 39 LYS CB C 36 29.694 29.694 31.924 -2.231 17832 3675 1 10 . 1 1 39 39 LYS H H 36 8.441 8.441 7.025 1.416 17832 3676 1 10 . 1 1 40 40 TYR N N 37 120.325 120.325 120.762 -0.437 17832 3677 1 10 . 1 1 40 40 TYR HA H 37 4.078 4.078 4.066 0.012 17832 3678 1 10 . 1 1 40 40 TYR C C 37 175.043 175.043 177.238 -2.195 17832 3679 1 10 . 1 1 40 40 TYR CA C 37 58.971 58.971 61.493 -2.522 17832 3680 1 10 . 1 1 40 40 TYR CB C 37 35.875 35.875 38.569 -2.694 17832 3681 1 10 . 1 1 40 40 TYR H H 37 8.344 8.344 8.416 -0.072 17832 3682 1 10 . 1 1 41 41 ALA N N 38 121.802 121.802 121.048 0.754 17832 3683 1 10 . 1 1 41 41 ALA HA H 38 3.746 3.746 4.120 -0.374 17832 3684 1 10 . 1 1 41 41 ALA C C 38 175.962 175.962 179.474 -3.512 17832 3685 1 10 . 1 1 41 41 ALA CA C 38 51.780 51.780 54.854 -3.074 17832 3686 1 10 . 1 1 41 41 ALA CB C 38 17.381 17.381 17.974 -0.592 17832 3687 1 10 . 1 1 41 41 ALA H H 38 8.291 8.291 8.495 -0.204 17832 3688 1 10 . 1 1 42 42 LEU N N 39 116.563 116.563 117.633 -1.070 17832 3689 1 10 . 1 1 42 42 LEU HA H 39 3.820 3.820 3.999 -0.179 17832 3690 1 10 . 1 1 42 42 LEU C C 39 176.020 176.020 178.278 -2.258 17832 3691 1 10 . 1 1 42 42 LEU CA C 39 54.011 54.011 57.483 -3.472 17832 3692 1 10 . 1 1 42 42 LEU CB C 39 39.796 39.796 41.889 -2.093 17832 3693 1 10 . 1 1 42 42 LEU H H 39 7.865 7.865 7.641 0.224 17832 3694 1 10 . 1 1 43 43 ASN N N 40 115.561 115.561 116.031 -0.470 17832 3695 1 10 . 1 1 43 43 ASN HA H 40 4.436 4.436 4.560 -0.124 17832 3696 1 10 . 1 1 43 43 ASN C C 40 173.390 173.390 177.469 -4.079 17832 3697 1 10 . 1 1 43 43 ASN CA C 40 51.492 51.492 55.166 -3.674 17832 3698 1 10 . 1 1 43 43 ASN CB C 40 36.401 36.401 38.757 -2.356 17832 3699 1 10 . 1 1 43 43 ASN H H 40 7.467 7.467 7.672 -0.205 17832 3700 1 10 . 1 1 44 44 GLU N N 41 120.609 120.609 119.483 1.126 17832 3701 1 10 . 1 1 44 44 GLU HA H 41 3.986 3.986 4.135 -0.149 17832 3702 1 10 . 1 1 44 44 GLU C C 41 174.161 174.161 177.937 -3.776 17832 3703 1 10 . 1 1 44 44 GLU CA C 41 54.775 54.775 58.353 -3.578 17832 3704 1 10 . 1 1 44 44 GLU CB C 41 27.094 27.094 28.828 -1.734 17832 3705 1 10 . 1 1 44 44 GLU H H 41 7.817 7.817 7.693 0.124 17832 3706 1 10 . 1 1 45 45 ASN N N 42 118.453 118.453 118.294 0.159 17832 3707 1 10 . 1 1 45 45 ASN HA H 42 4.618 4.618 4.547 0.071 17832 3708 1 10 . 1 1 45 45 ASN C C 42 172.912 172.912 176.338 -3.426 17832 3709 1 10 . 1 1 45 45 ASN CA C 42 50.988 50.988 55.368 -4.380 17832 3710 1 10 . 1 1 45 45 ASN CB C 42 36.267 36.267 38.809 -2.542 17832 3711 1 10 . 1 1 45 45 ASN H H 42 8.087 8.087 8.105 -0.018 17832 3712 1 10 . 1 1 46 46 SER N N 43 115.581 115.581 115.462 0.119 17832 3713 1 10 . 1 1 46 46 SER HA H 43 4.292 4.292 4.369 -0.077 17832 3714 1 10 . 1 1 46 46 SER C C 43 172.136 172.136 173.770 -1.634 17832 3715 1 10 . 1 1 46 46 SER CA C 43 56.202 56.202 59.530 -3.328 17832 3716 1 10 . 1 1 46 46 SER CB C 43 60.909 60.909 61.803 -0.894 17832 3717 1 10 . 1 1 46 46 SER H H 43 8.062 8.062 7.712 0.350 17832 3718 1 10 . 1 1 47 47 ASN N N 44 120.517 120.517 120.766 -0.249 17832 3719 1 10 . 1 1 47 47 ASN HA H 44 4.617 4.617 4.853 -0.236 17832 3720 1 10 . 1 1 47 47 ASN C C 44 172.545 172.545 172.818 -0.273 17832 3721 1 10 . 1 1 47 47 ASN CA C 44 51.174 51.174 53.128 -1.954 17832 3722 1 10 . 1 1 47 47 ASN CB C 44 36.208 36.208 40.458 -4.250 17832 3723 1 10 . 1 1 47 47 ASN H H 44 8.329 8.329 8.442 -0.113 17832 3724 1 10 . 1 1 48 48 ASP N N 45 120.294 120.294 120.444 -0.150 17832 3725 1 10 . 1 1 48 48 ASP HA H 45 4.500 4.500 5.036 -0.536 17832 3726 1 10 . 1 1 48 48 ASP C C 45 173.835 173.835 174.779 -0.944 17832 3727 1 10 . 1 1 48 48 ASP CA C 45 52.030 52.030 54.256 -2.226 17832 3728 1 10 . 1 1 48 48 ASP CB C 45 38.326 38.326 42.965 -4.639 17832 3729 1 10 . 1 1 48 48 ASP H H 45 8.220 8.220 8.362 -0.142 17832 3730 1 10 . 1 1 49 49 ARG N N 46 121.139 121.139 122.104 -0.965 17832 3731 1 10 . 1 1 49 49 ARG HA H 46 4.274 4.274 4.483 -0.209 17832 3732 1 10 . 1 1 49 49 ARG C C 46 174.032 174.032 175.543 -1.511 17832 3733 1 10 . 1 1 49 49 ARG CA C 46 53.425 53.425 56.060 -2.635 17832 3734 1 10 . 1 1 49 49 ARG CB C 46 27.615 27.615 31.382 -3.767 17832 3735 1 10 . 1 1 49 49 ARG H H 46 8.180 8.180 8.494 -0.314 17832 3736 1 10 . 1 1 50 50 SER N N 47 116.289 116.289 114.126 2.163 17832 3737 1 10 . 1 1 50 50 SER HA H 47 4.269 4.269 4.100 0.169 17832 3738 1 10 . 1 1 50 50 SER C C 47 172.337 172.337 174.221 -1.884 17832 3739 1 10 . 1 1 50 50 SER CA C 47 56.379 56.379 58.744 -2.365 17832 3740 1 10 . 1 1 50 50 SER CB C 47 60.970 60.970 62.552 -1.582 17832 3741 1 10 . 1 1 50 50 SER H H 47 8.236 8.236 8.589 -0.353 17832 3742 1 10 . 1 1 51 51 GLU N N 48 122.019 122.019 120.299 1.720 17832 3743 1 10 . 1 1 51 51 GLU HA H 48 4.134 4.134 4.170 -0.036 17832 3744 1 10 . 1 1 51 51 GLU C C 48 174.002 174.002 176.004 -2.002 17832 3745 1 10 . 1 1 51 51 GLU CA C 48 54.285 54.285 56.828 -2.543 17832 3746 1 10 . 1 1 51 51 GLU CB C 48 27.192 27.192 30.315 -3.123 17832 3747 1 10 . 1 1 51 51 GLU H H 48 8.423 8.423 8.137 0.286 17832 3748 1 10 . 1 1 52 52 HIS N N 49 119.075 119.075 121.185 -2.110 17832 3749 1 10 . 1 1 52 52 HIS HA H 49 4.486 4.486 4.719 -0.233 17832 3750 1 10 . 1 1 52 52 HIS C C 49 172.663 172.663 174.590 -1.927 17832 3751 1 10 . 1 1 52 52 HIS CA C 49 53.775 53.775 55.458 -1.683 17832 3752 1 10 . 1 1 52 52 HIS CB C 49 27.714 27.714 31.123 -3.409 17832 3753 1 10 . 1 1 52 52 HIS H H 49 8.117 8.117 8.508 -0.391 17832 3754 1 10 . 1 1 53 53 HIS N N 50 119.483 119.483 121.511 -2.028 17832 3755 1 10 . 1 1 53 53 HIS HA H 50 4.538 4.538 4.668 -0.130 17832 3756 1 10 . 1 1 53 53 HIS C C 50 172.355 172.355 175.694 -3.339 17832 3757 1 10 . 1 1 53 53 HIS CA C 50 53.433 53.433 57.196 -3.763 17832 3758 1 10 . 1 1 53 53 HIS CB C 50 27.694 27.694 31.057 -3.363 17832 3759 1 10 . 1 1 53 53 HIS H H 50 8.068 8.068 8.672 -0.604 17832 3760 1 10 . 1 1 54 54 LYS N N 51 122.136 122.136 121.251 0.885 17832 3761 1 10 . 1 1 54 54 LYS HA H 51 4.215 4.215 4.410 -0.195 17832 3762 1 10 . 1 1 54 54 LYS C C 51 173.474 173.474 175.432 -1.958 17832 3763 1 10 . 1 1 54 54 LYS CA C 51 53.445 53.445 56.307 -2.862 17832 3764 1 10 . 1 1 54 54 LYS CB C 51 30.329 30.329 32.835 -2.506 17832 3765 1 10 . 1 1 54 54 LYS H H 51 8.121 8.121 8.501 -0.380 17832 3766 1 10 . 1 1 55 55 LYS N N 52 124.022 124.022 123.088 0.934 17832 3767 1 10 . 1 1 55 55 LYS HA H 52 4.508 4.508 4.019 0.489 17832 3768 1 10 . 1 1 55 55 LYS C C 52 171.685 171.685 173.894 -2.209 17832 3769 1 10 . 1 1 55 55 LYS CA C 52 51.516 51.516 56.210 -4.694 17832 3770 1 10 . 1 1 55 55 LYS CB C 52 29.818 29.818 32.084 -2.267 17832 3771 1 10 . 1 1 55 55 LYS H H 52 8.262 8.262 8.593 -0.331 17832 3772 1 10 . 1 1 56 56 PRO HA H 53 4.340 4.340 3.285 1.055 17832 3773 1 10 . 1 1 56 56 PRO C C 53 173.830 173.830 176.874 -3.044 17832 3774 1 10 . 1 1 56 56 PRO CA C 53 60.496 60.496 62.337 -1.841 17832 3775 1 10 . 1 1 56 56 PRO CB C 53 29.444 29.444 32.275 -2.831 17832 3776 1 10 . 1 1 57 57 ARG N N 54 121.870 121.870 121.307 0.563 17832 3777 1 10 . 1 1 57 57 ARG HA H 54 4.279 4.279 4.589 -0.310 17832 3778 1 10 . 1 1 57 57 ARG C C 54 173.560 173.560 176.757 -3.197 17832 3779 1 10 . 1 1 57 57 ARG CA C 54 53.172 53.172 54.516 -1.344 17832 3780 1 10 . 1 1 57 57 ARG CB C 54 28.273 28.273 29.046 -0.772 17832 3781 1 10 . 1 1 57 57 ARG H H 54 8.396 8.396 8.250 0.146 17832 3782 1 10 . 1 1 58 58 ILE N N 55 122.683 122.683 118.420 4.263 17832 3783 1 10 . 1 1 58 58 ILE HA H 55 4.117 4.117 4.223 -0.106 17832 3784 1 10 . 1 1 58 58 ILE C C 55 173.034 173.034 176.099 -3.065 17832 3785 1 10 . 1 1 58 58 ILE CA C 55 58.378 58.378 61.717 -3.339 17832 3786 1 10 . 1 1 58 58 ILE CB C 55 36.113 36.113 38.810 -2.697 17832 3787 1 10 . 1 1 58 58 ILE H H 55 8.258 8.258 7.909 0.349 17832 3788 1 10 . 1 1 59 59 ASP N N 56 123.975 123.975 120.345 3.630 17832 3789 1 10 . 1 1 59 59 ASP HA H 56 4.581 4.581 4.674 -0.093 17832 3790 1 10 . 1 1 59 59 ASP C C 56 172.780 172.780 174.308 -1.528 17832 3791 1 10 . 1 1 59 59 ASP CA C 56 51.525 51.525 53.580 -2.055 17832 3792 1 10 . 1 1 59 59 ASP CB C 56 38.460 38.460 42.478 -4.018 17832 3793 1 10 . 1 1 59 59 ASP H H 56 8.364 8.364 8.340 0.024 17832 3794 1 10 . 1 1 60 60 ASP N N 57 121.471 121.471 123.265 -1.794 17832 3795 1 10 . 1 1 60 60 ASP HA H 57 4.563 4.563 4.800 -0.237 17832 3796 1 10 . 1 1 60 60 ASP C C 57 173.851 173.851 175.889 -2.038 17832 3797 1 10 . 1 1 60 60 ASP CA C 57 51.586 51.586 53.934 -2.348 17832 3798 1 10 . 1 1 60 60 ASP CB C 57 38.468 38.468 41.904 -3.436 17832 3799 1 10 . 1 1 60 60 ASP H H 57 8.393 8.393 8.370 0.023 17832 3800 1 10 . 1 1 61 61 SER N N 58 116.207 116.207 116.422 -0.215 17832 3801 1 10 . 1 1 61 61 SER C C 58 172.389 172.389 174.518 -2.129 17832 3802 1 10 . 1 1 61 61 SER CA C 58 56.129 56.129 58.620 -2.491 17832 3803 1 10 . 1 1 61 61 SER CB C 58 60.945 60.945 63.456 -2.511 17832 3804 1 10 . 1 1 61 61 SER H H 58 8.331 8.331 8.329 0.002 17832 3805 1 10 . 1 1 62 62 SER N N 59 117.805 117.805 116.207 1.598 17832 3806 1 10 . 1 1 62 62 SER C C 59 171.778 171.778 172.935 -1.157 17832 3807 1 10 . 1 1 62 62 SER CA C 59 56.290 56.290 59.584 -3.294 17832 3808 1 10 . 1 1 62 62 SER CB C 59 60.930 60.930 62.708 -1.778 17832 3809 1 10 . 1 1 62 62 SER H H 59 8.334 8.334 7.900 0.434 17832 3810 1 10 . 1 1 63 63 ASP N N 60 122.124 122.124 120.268 1.856 17832 3811 1 10 . 1 1 63 63 ASP HA H 60 4.512 4.512 4.545 -0.033 17832 3812 1 10 . 1 1 63 63 ASP C C 60 173.550 173.550 174.637 -1.087 17832 3813 1 10 . 1 1 63 63 ASP CA C 60 51.916 51.916 54.831 -2.915 17832 3814 1 10 . 1 1 63 63 ASP CB C 60 38.264 38.264 41.260 -2.996 17832 3815 1 10 . 1 1 63 63 ASP H H 60 8.278 8.278 8.027 0.251 17832 3816 1 10 . 1 1 64 64 LEU N N 61 121.450 121.450 125.060 -3.610 17832 3817 1 10 . 1 1 64 64 LEU HA H 61 4.223 4.223 4.483 -0.260 17832 3818 1 10 . 1 1 64 64 LEU C C 61 174.603 174.603 176.854 -2.251 17832 3819 1 10 . 1 1 64 64 LEU CA C 61 52.640 52.640 53.940 -1.300 17832 3820 1 10 . 1 1 64 64 LEU CB C 61 39.502 39.502 43.431 -3.929 17832 3821 1 10 . 1 1 64 64 LEU H H 61 7.931 7.931 8.013 -0.082 17832 3822 1 10 . 1 1 65 65 LEU N N 62 122.042 122.042 118.873 3.169 17832 3823 1 10 . 1 1 65 65 LEU HA H 62 4.273 4.273 3.919 0.354 17832 3824 1 10 . 1 1 65 65 LEU C C 62 174.372 174.372 177.621 -3.249 17832 3825 1 10 . 1 1 65 65 LEU CA C 62 52.339 52.339 57.415 -5.076 17832 3826 1 10 . 1 1 65 65 LEU CB C 62 39.426 39.426 41.081 -1.655 17832 3827 1 10 . 1 1 65 65 LEU H H 62 8.023 8.023 8.811 -0.788 17832 3828 1 10 . 1 1 66 66 LYS N N 63 122.782 122.782 121.001 1.781 17832 3829 1 10 . 1 1 66 66 LYS HA H 63 4.349 4.349 4.321 0.028 17832 3830 1 10 . 1 1 66 66 LYS C C 63 173.936 173.936 176.721 -2.785 17832 3831 1 10 . 1 1 66 66 LYS CA C 63 53.305 53.305 56.621 -3.316 17832 3832 1 10 . 1 1 66 66 LYS CB C 63 30.305 30.305 31.309 -1.004 17832 3833 1 10 . 1 1 66 66 LYS H H 63 8.145 8.145 8.338 -0.193 17832 3834 1 10 . 1 1 67 67 THR N N 64 115.478 115.478 112.280 3.198 17832 3835 1 10 . 1 1 67 67 THR HA H 64 4.298 4.298 4.408 -0.110 17832 3836 1 10 . 1 1 67 67 THR C C 64 171.473 171.473 175.234 -3.761 17832 3837 1 10 . 1 1 67 67 THR CA C 64 58.943 58.943 63.160 -4.217 17832 3838 1 10 . 1 1 67 67 THR CB C 64 67.038 67.038 69.568 -2.530 17832 3839 1 10 . 1 1 67 67 THR H H 64 8.196 8.196 8.021 0.175 17832 3840 1 10 . 1 1 68 68 ASP N N 65 122.013 122.013 124.408 -2.395 17832 3841 1 10 . 1 1 68 68 ASP C C 65 173.191 173.191 175.519 -2.328 17832 3842 1 10 . 1 1 68 68 ASP CA C 65 51.628 51.628 55.136 -3.507 17832 3843 1 10 . 1 1 68 68 ASP CB C 65 38.495 38.495 40.973 -2.478 17832 3844 1 10 . 1 1 68 68 ASP H H 65 8.307 8.307 8.256 0.051 17832 3845 1 10 . 1 1 69 69 GLU N N 66 121.260 121.260 124.441 -3.181 17832 3846 1 10 . 1 1 69 69 GLU HA H 66 4.235 4.235 4.436 -0.201 17832 3847 1 10 . 1 1 69 69 GLU C C 66 172.706 172.706 175.925 -3.219 17832 3848 1 10 . 1 1 69 69 GLU CA C 66 53.881 53.881 55.821 -1.940 17832 3849 1 10 . 1 1 69 69 GLU CB C 66 27.731 27.731 29.684 -1.953 17832 3850 1 10 . 1 1 69 69 GLU H H 66 8.216 8.216 8.459 -0.243 17832 3851 1 11 . 1 1 3 3 MET C C 0 173.346 173.346 175.856 -2.510 17832 3852 1 11 . 1 1 3 3 MET CA C 0 52.930 52.930 54.517 -1.587 17832 3853 1 11 . 1 1 3 3 MET CB C 0 29.966 29.966 34.038 -4.072 17832 3854 1 11 . 1 1 4 4 MET N N 1 121.822 121.822 119.596 2.226 17832 3855 1 11 . 1 1 4 4 MET HA H 1 4.378 4.378 4.600 -0.222 17832 3856 1 11 . 1 1 4 4 MET C C 1 173.585 173.585 175.852 -2.267 17832 3857 1 11 . 1 1 4 4 MET CA C 1 52.943 52.943 54.832 -1.889 17832 3858 1 11 . 1 1 4 4 MET CB C 1 30.112 30.112 33.858 -3.746 17832 3859 1 11 . 1 1 4 4 MET H H 1 8.553 8.553 8.111 0.442 17832 3860 1 11 . 1 1 5 5 SER N N 2 117.291 117.291 119.081 -1.790 17832 3861 1 11 . 1 1 5 5 SER HA H 2 4.402 4.402 4.446 -0.044 17832 3862 1 11 . 1 1 5 5 SER C C 2 171.427 171.427 174.070 -2.643 17832 3863 1 11 . 1 1 5 5 SER CA C 2 55.920 55.920 58.884 -2.964 17832 3864 1 11 . 1 1 5 5 SER CB C 2 61.033 61.033 62.650 -1.617 17832 3865 1 11 . 1 1 5 5 SER H H 2 8.337 8.337 8.646 -0.309 17832 3866 1 11 . 1 1 6 6 LYS N N 3 121.932 121.932 125.866 -3.934 17832 3867 1 11 . 1 1 6 6 LYS HA H 3 4.282 4.282 4.662 -0.380 17832 3868 1 11 . 1 1 6 6 LYS C C 3 173.822 173.822 176.155 -2.333 17832 3869 1 11 . 1 1 6 6 LYS CA C 3 53.556 53.556 55.489 -1.933 17832 3870 1 11 . 1 1 6 6 LYS CB C 3 30.569 30.569 33.436 -2.867 17832 3871 1 11 . 1 1 6 6 LYS H H 3 8.216 8.216 8.214 0.002 17832 3872 1 11 . 1 1 7 7 LEU N N 4 123.131 123.131 118.273 4.858 17832 3873 1 11 . 1 1 7 7 LEU HA H 4 4.310 4.310 4.080 0.230 17832 3874 1 11 . 1 1 7 7 LEU C C 4 176.226 176.226 175.524 0.702 17832 3875 1 11 . 1 1 7 7 LEU CA C 4 52.753 52.753 55.580 -2.827 17832 3876 1 11 . 1 1 7 7 LEU CB C 4 39.626 39.626 40.492 -0.866 17832 3877 1 11 . 1 1 7 7 LEU H H 4 8.301 8.301 8.874 -0.573 17832 3878 1 11 . 1 1 8 8 PHE N N 5 122.547 122.547 117.126 5.421 17832 3879 1 11 . 1 1 8 8 PHE HA H 5 4.313 4.313 4.639 -0.326 17832 3880 1 11 . 1 1 8 8 PHE CA C 5 56.963 56.963 58.953 -1.990 17832 3881 1 11 . 1 1 8 8 PHE CB C 5 35.205 35.205 40.056 -4.851 17832 3882 1 11 . 1 1 8 8 PHE H H 5 8.764 8.764 7.808 0.956 17832 3883 1 11 . 1 1 9 9 LEU HA H 6 3.079 3.079 4.145 -1.066 17832 3884 1 11 . 1 1 9 9 LEU C C 6 175.830 175.830 177.696 -1.866 17832 3885 1 11 . 1 1 9 9 LEU CA C 6 54.075 54.075 57.051 -2.976 17832 3886 1 11 . 1 1 9 9 LEU CB C 6 38.429 38.429 42.108 -3.679 17832 3887 1 11 . 1 1 10 10 ASP N N 7 116.164 116.164 116.290 -0.126 17832 3888 1 11 . 1 1 10 10 ASP HA H 7 4.294 4.294 4.499 -0.205 17832 3889 1 11 . 1 1 10 10 ASP C C 7 174.240 174.240 177.235 -2.995 17832 3890 1 11 . 1 1 10 10 ASP CA C 7 53.201 53.201 56.005 -2.804 17832 3891 1 11 . 1 1 10 10 ASP CB C 7 37.826 37.826 40.987 -3.161 17832 3892 1 11 . 1 1 10 10 ASP H H 7 7.488 7.488 8.419 -0.931 17832 3893 1 11 . 1 1 11 11 GLU N N 8 116.711 116.711 117.878 -1.167 17832 3894 1 11 . 1 1 11 11 GLU HA H 8 4.296 4.296 4.160 0.136 17832 3895 1 11 . 1 1 11 11 GLU C C 8 173.322 173.322 177.611 -4.289 17832 3896 1 11 . 1 1 11 11 GLU CA C 8 53.231 53.231 57.451 -4.220 17832 3897 1 11 . 1 1 11 11 GLU CB C 8 27.333 27.333 30.239 -2.906 17832 3898 1 11 . 1 1 11 11 GLU H H 8 7.496 7.496 7.600 -0.104 17832 3899 1 11 . 1 1 12 12 LEU N N 9 117.751 117.751 118.936 -1.185 17832 3900 1 11 . 1 1 12 12 LEU HA H 9 4.313 4.313 4.301 0.012 17832 3901 1 11 . 1 1 12 12 LEU C C 9 171.541 171.541 174.966 -3.425 17832 3902 1 11 . 1 1 12 12 LEU CA C 9 49.264 49.264 52.968 -3.704 17832 3903 1 11 . 1 1 12 12 LEU CB C 9 38.581 38.581 40.069 -1.488 17832 3904 1 11 . 1 1 12 12 LEU H H 9 6.803 6.803 7.263 -0.460 17832 3905 1 11 . 1 1 13 13 PRO HA H 10 4.311 4.311 4.395 -0.084 17832 3906 1 11 . 1 1 13 13 PRO C C 10 174.746 174.746 178.037 -3.291 17832 3907 1 11 . 1 1 13 13 PRO CA C 10 60.083 60.083 63.460 -3.377 17832 3908 1 11 . 1 1 13 13 PRO CB C 10 29.131 29.131 32.288 -3.158 17832 3909 1 11 . 1 1 14 14 GLU N N 11 125.693 125.693 123.291 2.402 17832 3910 1 11 . 1 1 14 14 GLU HA H 11 3.854 3.854 4.016 -0.162 17832 3911 1 11 . 1 1 14 14 GLU C C 11 175.180 175.180 178.206 -3.026 17832 3912 1 11 . 1 1 14 14 GLU CA C 11 57.035 57.035 59.353 -2.318 17832 3913 1 11 . 1 1 14 14 GLU CB C 11 26.761 26.761 28.748 -1.987 17832 3914 1 11 . 1 1 14 14 GLU H H 11 8.777 8.777 8.831 -0.054 17832 3915 1 11 . 1 1 15 15 SER N N 12 111.734 111.734 116.052 -4.318 17832 3916 1 11 . 1 1 15 15 SER HA H 12 3.884 3.884 4.183 -0.299 17832 3917 1 11 . 1 1 15 15 SER C C 12 173.687 173.687 176.190 -2.503 17832 3918 1 11 . 1 1 15 15 SER CA C 12 58.230 58.230 61.518 -3.288 17832 3919 1 11 . 1 1 15 15 SER CB C 12 58.977 58.977 62.627 -3.651 17832 3920 1 11 . 1 1 15 15 SER H H 12 8.563 8.563 8.370 0.193 17832 3921 1 11 . 1 1 16 16 LEU N N 13 122.925 122.925 120.294 2.631 17832 3922 1 11 . 1 1 16 16 LEU HA H 13 4.081 4.081 4.179 -0.098 17832 3923 1 11 . 1 1 16 16 LEU C C 13 175.385 175.385 178.057 -2.672 17832 3924 1 11 . 1 1 16 16 LEU CA C 13 54.057 54.057 56.627 -2.570 17832 3925 1 11 . 1 1 16 16 LEU CB C 13 39.498 39.498 42.010 -2.511 17832 3926 1 11 . 1 1 16 16 LEU H H 13 6.828 6.828 7.559 -0.731 17832 3927 1 11 . 1 1 17 17 SER N N 14 114.839 114.839 115.257 -0.418 17832 3928 1 11 . 1 1 17 17 SER HA H 14 3.585 3.585 4.057 -0.472 17832 3929 1 11 . 1 1 17 17 SER C C 14 175.435 175.435 176.916 -1.481 17832 3930 1 11 . 1 1 17 17 SER CA C 14 58.835 58.835 61.252 -2.417 17832 3931 1 11 . 1 1 17 17 SER CB C 14 59.345 59.345 62.768 -3.423 17832 3932 1 11 . 1 1 17 17 SER H H 14 8.266 8.266 7.988 0.278 17832 3933 1 11 . 1 1 18 18 ARG N N 15 121.474 121.474 122.260 -0.786 17832 3934 1 11 . 1 1 18 18 ARG HA H 15 3.897 3.897 4.065 -0.168 17832 3935 1 11 . 1 1 18 18 ARG C C 15 176.749 176.749 178.681 -1.932 17832 3936 1 11 . 1 1 18 18 ARG CA C 15 56.827 56.827 59.545 -2.718 17832 3937 1 11 . 1 1 18 18 ARG CB C 15 27.154 27.154 30.221 -3.067 17832 3938 1 11 . 1 1 18 18 ARG H H 15 8.385 8.385 7.877 0.508 17832 3939 1 11 . 1 1 19 19 LYS N N 16 119.494 119.494 118.734 0.760 17832 3940 1 11 . 1 1 19 19 LYS HA H 16 3.947 3.947 4.155 -0.208 17832 3941 1 11 . 1 1 19 19 LYS C C 16 177.319 177.319 179.188 -1.869 17832 3942 1 11 . 1 1 19 19 LYS CA C 16 57.412 57.412 58.990 -1.578 17832 3943 1 11 . 1 1 19 19 LYS CB C 16 30.432 30.432 32.431 -1.999 17832 3944 1 11 . 1 1 19 19 LYS H H 16 7.269 7.269 7.609 -0.340 17832 3945 1 11 . 1 1 20 20 ILE N N 17 120.972 120.972 120.471 0.501 17832 3946 1 11 . 1 1 20 20 ILE HA H 17 2.813 2.813 3.815 -1.002 17832 3947 1 11 . 1 1 20 20 ILE C C 17 175.324 175.324 177.691 -2.367 17832 3948 1 11 . 1 1 20 20 ILE CA C 17 63.012 63.012 65.092 -2.080 17832 3949 1 11 . 1 1 20 20 ILE CB C 17 34.710 34.710 37.907 -3.197 17832 3950 1 11 . 1 1 20 20 ILE H H 17 7.993 7.993 8.326 -0.333 17832 3951 1 11 . 1 1 21 21 GLY N N 18 106.894 106.894 106.422 0.472 17832 3952 1 11 . 1 1 21 21 GLY C C 18 173.161 173.161 175.749 -2.588 17832 3953 1 11 . 1 1 21 21 GLY CA C 18 44.450 44.450 47.550 -3.100 17832 3954 1 11 . 1 1 21 21 GLY H H 18 8.259 8.259 8.774 -0.515 17832 3955 1 11 . 1 1 22 22 THR N N 19 113.696 113.696 116.083 -2.387 17832 3956 1 11 . 1 1 22 22 THR HA H 19 3.946 3.946 4.077 -0.131 17832 3957 1 11 . 1 1 22 22 THR C C 19 173.081 173.081 175.974 -2.893 17832 3958 1 11 . 1 1 22 22 THR CA C 19 62.984 62.984 65.138 -2.154 17832 3959 1 11 . 1 1 22 22 THR CB C 19 66.403 66.403 68.788 -2.385 17832 3960 1 11 . 1 1 22 22 THR H H 19 7.502 7.502 7.358 0.144 17832 3961 1 11 . 1 1 23 23 VAL N N 20 123.120 123.120 120.514 2.606 17832 3962 1 11 . 1 1 23 23 VAL HA H 20 3.649 3.649 3.940 -0.291 17832 3963 1 11 . 1 1 23 23 VAL C C 20 174.858 174.858 177.982 -3.124 17832 3964 1 11 . 1 1 23 23 VAL CA C 20 62.761 62.761 65.241 -2.480 17832 3965 1 11 . 1 1 23 23 VAL CB C 20 29.222 29.222 31.848 -2.626 17832 3966 1 11 . 1 1 23 23 VAL H H 20 7.168 7.168 7.371 -0.203 17832 3967 1 11 . 1 1 24 24 VAL N N 21 119.729 119.729 119.936 -0.207 17832 3968 1 11 . 1 1 24 24 VAL HA H 21 3.541 3.541 3.767 -0.226 17832 3969 1 11 . 1 1 24 24 VAL C C 21 174.410 174.410 177.170 -2.760 17832 3970 1 11 . 1 1 24 24 VAL CA C 21 61.966 61.966 65.443 -3.477 17832 3971 1 11 . 1 1 24 24 VAL CB C 21 29.360 29.360 30.785 -1.425 17832 3972 1 11 . 1 1 24 24 VAL H H 21 8.129 8.129 8.689 -0.560 17832 3973 1 11 . 1 1 25 25 ARG N N 22 116.239 116.239 118.149 -1.910 17832 3974 1 11 . 1 1 25 25 ARG HA H 22 3.952 3.952 4.065 -0.113 17832 3975 1 11 . 1 1 25 25 ARG C C 22 174.899 174.899 178.087 -3.188 17832 3976 1 11 . 1 1 25 25 ARG CA C 22 56.097 56.097 58.745 -2.648 17832 3977 1 11 . 1 1 25 25 ARG CB C 22 27.473 27.473 30.118 -2.645 17832 3978 1 11 . 1 1 25 25 ARG H H 22 7.633 7.633 7.613 0.020 17832 3979 1 11 . 1 1 26 26 VAL N N 23 115.006 115.006 117.972 -2.966 17832 3980 1 11 . 1 1 26 26 VAL HA H 23 3.995 3.995 3.912 0.083 17832 3981 1 11 . 1 1 26 26 VAL C C 23 173.187 173.187 176.555 -3.368 17832 3982 1 11 . 1 1 26 26 VAL CA C 23 61.107 61.107 64.948 -3.841 17832 3983 1 11 . 1 1 26 26 VAL CB C 23 29.977 29.977 32.535 -2.558 17832 3984 1 11 . 1 1 26 26 VAL H H 23 6.886 6.886 7.749 -0.863 17832 3985 1 11 . 1 1 27 27 LEU N N 24 120.940 120.940 119.732 1.208 17832 3986 1 11 . 1 1 27 27 LEU HA H 24 4.930 4.930 4.885 0.045 17832 3987 1 11 . 1 1 27 27 LEU C C 24 171.363 171.363 175.174 -3.811 17832 3988 1 11 . 1 1 27 27 LEU CA C 24 48.752 48.752 51.722 -2.970 17832 3989 1 11 . 1 1 27 27 LEU CB C 24 40.669 40.669 41.671 -1.002 17832 3990 1 11 . 1 1 27 27 LEU H H 24 8.338 8.338 7.275 1.063 17832 3991 1 11 . 1 1 28 28 PRO HA H 25 4.767 4.767 4.433 0.334 17832 3992 1 11 . 1 1 28 28 PRO C C 25 176.742 176.742 178.122 -1.380 17832 3993 1 11 . 1 1 28 28 PRO CA C 25 63.453 63.453 65.043 -1.589 17832 3994 1 11 . 1 1 28 28 PRO CB C 25 29.004 29.004 31.835 -2.831 17832 3995 1 11 . 1 1 29 29 SER N N 26 111.726 111.726 113.733 -2.007 17832 3996 1 11 . 1 1 29 29 SER HA H 26 4.422 4.422 4.267 0.155 17832 3997 1 11 . 1 1 29 29 SER C C 26 172.811 172.811 176.292 -3.481 17832 3998 1 11 . 1 1 29 29 SER CA C 26 57.331 57.331 60.144 -2.813 17832 3999 1 11 . 1 1 29 29 SER CB C 26 59.552 59.552 62.622 -3.070 17832 4000 1 11 . 1 1 29 29 SER H H 26 8.279 8.279 8.527 -0.248 17832 4001 1 11 . 1 1 30 30 SER N N 27 116.503 116.503 119.502 -2.999 17832 4002 1 11 . 1 1 30 30 SER HA H 27 4.103 4.103 4.047 0.056 17832 4003 1 11 . 1 1 30 30 SER C C 27 174.324 174.324 176.347 -2.023 17832 4004 1 11 . 1 1 30 30 SER CA C 27 58.661 58.661 60.602 -1.941 17832 4005 1 11 . 1 1 30 30 SER CB C 27 61.593 61.593 62.912 -1.319 17832 4006 1 11 . 1 1 30 30 SER H H 27 8.642 8.642 8.002 0.640 17832 4007 1 11 . 1 1 31 31 LEU N N 28 126.322 126.322 122.400 3.922 17832 4008 1 11 . 1 1 31 31 LEU HA H 28 4.281 4.281 4.175 0.106 17832 4009 1 11 . 1 1 31 31 LEU C C 28 175.385 175.385 177.839 -2.454 17832 4010 1 11 . 1 1 31 31 LEU CA C 28 56.992 56.992 57.819 -0.827 17832 4011 1 11 . 1 1 31 31 LEU CB C 28 38.241 38.241 41.675 -3.434 17832 4012 1 11 . 1 1 31 31 LEU H H 28 7.634 7.634 7.829 -0.195 17832 4013 1 11 . 1 1 32 32 GLU N N 29 114.812 114.812 118.885 -4.073 17832 4014 1 11 . 1 1 32 32 GLU HA H 29 4.230 4.230 4.070 0.160 17832 4015 1 11 . 1 1 32 32 GLU C C 29 175.711 175.711 178.721 -3.010 17832 4016 1 11 . 1 1 32 32 GLU CA C 29 56.205 56.205 59.550 -3.345 17832 4017 1 11 . 1 1 32 32 GLU CB C 29 26.903 26.903 29.366 -2.463 17832 4018 1 11 . 1 1 32 32 GLU H H 29 8.283 8.283 7.669 0.614 17832 4019 1 11 . 1 1 33 33 ILE N N 30 121.972 121.972 118.450 3.522 17832 4020 1 11 . 1 1 33 33 ILE HA H 30 3.773 3.773 3.725 0.048 17832 4021 1 11 . 1 1 33 33 ILE C C 30 175.177 175.177 177.690 -2.513 17832 4022 1 11 . 1 1 33 33 ILE CA C 30 62.116 62.116 64.876 -2.760 17832 4023 1 11 . 1 1 33 33 ILE CB C 30 35.018 35.018 37.715 -2.697 17832 4024 1 11 . 1 1 33 33 ILE H H 30 7.477 7.477 7.237 0.240 17832 4025 1 11 . 1 1 34 34 PHE N N 31 117.727 117.727 119.232 -1.505 17832 4026 1 11 . 1 1 34 34 PHE HA H 31 4.208 4.208 4.246 -0.038 17832 4027 1 11 . 1 1 34 34 PHE C C 31 174.731 174.731 177.798 -3.067 17832 4028 1 11 . 1 1 34 34 PHE CA C 31 61.035 61.035 60.003 1.032 17832 4029 1 11 . 1 1 34 34 PHE CB C 31 36.224 36.224 38.319 -2.095 17832 4030 1 11 . 1 1 34 34 PHE H H 31 8.137 8.137 7.003 1.134 17832 4031 1 11 . 1 1 35 35 GLU N N 32 118.271 118.271 119.182 -0.911 17832 4032 1 11 . 1 1 35 35 GLU HA H 32 2.721 2.721 4.510 -1.789 17832 4033 1 11 . 1 1 35 35 GLU C C 32 174.785 174.785 179.217 -4.432 17832 4034 1 11 . 1 1 35 35 GLU CA C 32 57.304 57.304 59.961 -2.657 17832 4035 1 11 . 1 1 35 35 GLU CB C 32 26.997 26.997 28.897 -1.900 17832 4036 1 11 . 1 1 35 35 GLU H H 32 8.249 8.249 8.942 -0.693 17832 4037 1 11 . 1 1 36 36 GLU N N 33 119.678 119.678 119.616 0.062 17832 4038 1 11 . 1 1 36 36 GLU HA H 33 3.887 3.887 4.074 -0.187 17832 4039 1 11 . 1 1 36 36 GLU C C 33 176.760 176.760 178.839 -2.079 17832 4040 1 11 . 1 1 36 36 GLU CA C 33 57.241 57.241 58.790 -1.549 17832 4041 1 11 . 1 1 36 36 GLU CB C 33 26.806 26.806 29.512 -2.706 17832 4042 1 11 . 1 1 36 36 GLU H H 33 7.971 7.971 7.639 0.332 17832 4043 1 11 . 1 1 37 37 LEU N N 34 120.144 120.144 121.819 -1.675 17832 4044 1 11 . 1 1 37 37 LEU HA H 34 4.280 4.280 4.038 0.242 17832 4045 1 11 . 1 1 37 37 LEU C C 34 174.327 174.327 178.510 -4.183 17832 4046 1 11 . 1 1 37 37 LEU CA C 34 55.502 55.502 58.007 -2.505 17832 4047 1 11 . 1 1 37 37 LEU CB C 34 39.354 39.354 42.220 -2.866 17832 4048 1 11 . 1 1 37 37 LEU H H 34 8.278 8.278 7.706 0.572 17832 4049 1 11 . 1 1 38 38 TYR N N 35 119.703 119.703 116.842 2.861 17832 4050 1 11 . 1 1 38 38 TYR HA H 35 4.070 4.070 4.262 -0.192 17832 4051 1 11 . 1 1 38 38 TYR C C 35 173.298 173.298 177.613 -4.315 17832 4052 1 11 . 1 1 38 38 TYR CA C 35 59.098 59.098 60.489 -1.391 17832 4053 1 11 . 1 1 38 38 TYR CB C 35 36.534 36.534 37.761 -1.227 17832 4054 1 11 . 1 1 38 38 TYR H H 35 8.417 8.417 8.486 -0.069 17832 4055 1 11 . 1 1 39 39 LYS N N 36 115.392 115.392 119.455 -4.063 17832 4056 1 11 . 1 1 39 39 LYS HA H 36 3.621 3.621 3.771 -0.150 17832 4057 1 11 . 1 1 39 39 LYS C C 36 176.456 176.456 178.675 -2.219 17832 4058 1 11 . 1 1 39 39 LYS CA C 36 57.011 57.011 58.340 -1.329 17832 4059 1 11 . 1 1 39 39 LYS CB C 36 29.694 29.694 31.628 -1.934 17832 4060 1 11 . 1 1 39 39 LYS H H 36 8.441 8.441 7.144 1.297 17832 4061 1 11 . 1 1 40 40 TYR N N 37 120.325 120.325 120.886 -0.561 17832 4062 1 11 . 1 1 40 40 TYR HA H 37 4.078 4.078 4.112 -0.034 17832 4063 1 11 . 1 1 40 40 TYR C C 37 175.043 175.043 177.041 -1.998 17832 4064 1 11 . 1 1 40 40 TYR CA C 37 58.971 58.971 61.472 -2.502 17832 4065 1 11 . 1 1 40 40 TYR CB C 37 35.875 35.875 38.593 -2.718 17832 4066 1 11 . 1 1 40 40 TYR H H 37 8.344 8.344 8.068 0.276 17832 4067 1 11 . 1 1 41 41 ALA N N 38 121.802 121.802 121.309 0.493 17832 4068 1 11 . 1 1 41 41 ALA HA H 38 3.746 3.746 4.187 -0.441 17832 4069 1 11 . 1 1 41 41 ALA C C 38 175.962 175.962 179.275 -3.313 17832 4070 1 11 . 1 1 41 41 ALA CA C 38 51.780 51.780 54.378 -2.598 17832 4071 1 11 . 1 1 41 41 ALA CB C 38 17.381 17.381 18.335 -0.954 17832 4072 1 11 . 1 1 41 41 ALA H H 38 8.291 8.291 7.846 0.445 17832 4073 1 11 . 1 1 42 42 LEU N N 39 116.563 116.563 119.224 -2.661 17832 4074 1 11 . 1 1 42 42 LEU HA H 39 3.820 3.820 3.941 -0.121 17832 4075 1 11 . 1 1 42 42 LEU C C 39 176.020 176.020 178.767 -2.747 17832 4076 1 11 . 1 1 42 42 LEU CA C 39 54.011 54.011 57.777 -3.766 17832 4077 1 11 . 1 1 42 42 LEU CB C 39 39.796 39.796 41.815 -2.019 17832 4078 1 11 . 1 1 42 42 LEU H H 39 7.865 7.865 7.844 0.021 17832 4079 1 11 . 1 1 43 43 ASN N N 40 115.561 115.561 116.840 -1.279 17832 4080 1 11 . 1 1 43 43 ASN HA H 40 4.436 4.436 4.690 -0.254 17832 4081 1 11 . 1 1 43 43 ASN C C 40 173.390 173.390 176.745 -3.355 17832 4082 1 11 . 1 1 43 43 ASN CA C 40 51.492 51.492 55.152 -3.660 17832 4083 1 11 . 1 1 43 43 ASN CB C 40 36.401 36.401 38.515 -2.114 17832 4084 1 11 . 1 1 43 43 ASN H H 40 7.467 7.467 7.519 -0.052 17832 4085 1 11 . 1 1 44 44 GLU N N 41 120.609 120.609 118.331 2.278 17832 4086 1 11 . 1 1 44 44 GLU HA H 41 3.986 3.986 3.997 -0.011 17832 4087 1 11 . 1 1 44 44 GLU C C 41 174.161 174.161 177.614 -3.453 17832 4088 1 11 . 1 1 44 44 GLU CA C 41 54.775 54.775 58.806 -4.031 17832 4089 1 11 . 1 1 44 44 GLU CB C 41 27.094 27.094 29.072 -1.978 17832 4090 1 11 . 1 1 44 44 GLU H H 41 7.817 7.817 7.733 0.084 17832 4091 1 11 . 1 1 45 45 ASN N N 42 118.453 118.453 116.816 1.637 17832 4092 1 11 . 1 1 45 45 ASN HA H 42 4.618 4.618 4.684 -0.066 17832 4093 1 11 . 1 1 45 45 ASN C C 42 172.912 172.912 175.359 -2.447 17832 4094 1 11 . 1 1 45 45 ASN CA C 42 50.988 50.988 54.873 -3.885 17832 4095 1 11 . 1 1 45 45 ASN CB C 42 36.267 36.267 39.919 -3.651 17832 4096 1 11 . 1 1 45 45 ASN H H 42 8.087 8.087 7.764 0.323 17832 4097 1 11 . 1 1 46 46 SER N N 43 115.581 115.581 111.083 4.498 17832 4098 1 11 . 1 1 46 46 SER HA H 43 4.292 4.292 4.574 -0.282 17832 4099 1 11 . 1 1 46 46 SER C C 43 172.136 172.136 172.114 0.022 17832 4100 1 11 . 1 1 46 46 SER CA C 43 56.202 56.202 58.049 -1.847 17832 4101 1 11 . 1 1 46 46 SER CB C 43 60.909 60.909 64.162 -3.253 17832 4102 1 11 . 1 1 46 46 SER H H 43 8.062 8.062 7.437 0.625 17832 4103 1 11 . 1 1 47 47 ASN N N 44 120.517 120.517 120.195 0.322 17832 4104 1 11 . 1 1 47 47 ASN HA H 44 4.617 4.617 4.882 -0.265 17832 4105 1 11 . 1 1 47 47 ASN C C 44 172.545 172.545 173.907 -1.362 17832 4106 1 11 . 1 1 47 47 ASN CA C 44 51.174 51.174 53.067 -1.893 17832 4107 1 11 . 1 1 47 47 ASN CB C 44 36.208 36.208 39.176 -2.968 17832 4108 1 11 . 1 1 47 47 ASN H H 44 8.329 8.329 8.685 -0.356 17832 4109 1 11 . 1 1 48 48 ASP N N 45 120.294 120.294 119.353 0.941 17832 4110 1 11 . 1 1 48 48 ASP HA H 45 4.500 4.500 4.954 -0.454 17832 4111 1 11 . 1 1 48 48 ASP C C 45 173.835 173.835 176.379 -2.544 17832 4112 1 11 . 1 1 48 48 ASP CA C 45 52.030 52.030 52.538 -0.508 17832 4113 1 11 . 1 1 48 48 ASP CB C 45 38.326 38.326 42.588 -4.262 17832 4114 1 11 . 1 1 48 48 ASP H H 45 8.220 8.220 7.898 0.322 17832 4115 1 11 . 1 1 49 49 ARG N N 46 121.139 121.139 120.511 0.628 17832 4116 1 11 . 1 1 49 49 ARG HA H 46 4.274 4.274 4.429 -0.155 17832 4117 1 11 . 1 1 49 49 ARG C C 46 174.032 174.032 176.218 -2.186 17832 4118 1 11 . 1 1 49 49 ARG CA C 46 53.425 53.425 56.511 -3.086 17832 4119 1 11 . 1 1 49 49 ARG CB C 46 27.615 27.615 30.992 -3.377 17832 4120 1 11 . 1 1 49 49 ARG H H 46 8.180 8.180 8.511 -0.331 17832 4121 1 11 . 1 1 50 50 SER N N 47 116.289 116.289 113.805 2.484 17832 4122 1 11 . 1 1 50 50 SER HA H 47 4.269 4.269 4.250 0.019 17832 4123 1 11 . 1 1 50 50 SER C C 47 172.337 172.337 173.320 -0.983 17832 4124 1 11 . 1 1 50 50 SER CA C 47 56.379 56.379 58.047 -1.669 17832 4125 1 11 . 1 1 50 50 SER CB C 47 60.970 60.970 63.251 -2.281 17832 4126 1 11 . 1 1 50 50 SER H H 47 8.236 8.236 8.374 -0.138 17832 4127 1 11 . 1 1 51 51 GLU N N 48 122.019 122.019 125.103 -3.084 17832 4128 1 11 . 1 1 51 51 GLU HA H 48 4.134 4.134 4.353 -0.219 17832 4129 1 11 . 1 1 51 51 GLU C C 48 174.002 174.002 175.809 -1.807 17832 4130 1 11 . 1 1 51 51 GLU CA C 48 54.285 54.285 55.770 -1.485 17832 4131 1 11 . 1 1 51 51 GLU CB C 48 27.192 27.192 29.508 -2.316 17832 4132 1 11 . 1 1 51 51 GLU H H 48 8.423 8.423 8.315 0.108 17832 4133 1 11 . 1 1 52 52 HIS N N 49 119.075 119.075 119.294 -0.219 17832 4134 1 11 . 1 1 52 52 HIS HA H 49 4.486 4.486 4.796 -0.310 17832 4135 1 11 . 1 1 52 52 HIS C C 49 172.663 172.663 174.973 -2.310 17832 4136 1 11 . 1 1 52 52 HIS CA C 49 53.775 53.775 55.758 -1.983 17832 4137 1 11 . 1 1 52 52 HIS CB C 49 27.714 27.714 30.611 -2.897 17832 4138 1 11 . 1 1 52 52 HIS H H 49 8.117 8.117 7.978 0.139 17832 4139 1 11 . 1 1 53 53 HIS N N 50 119.483 119.483 118.065 1.418 17832 4140 1 11 . 1 1 53 53 HIS HA H 50 4.538 4.538 4.620 -0.082 17832 4141 1 11 . 1 1 53 53 HIS C C 50 172.355 172.355 173.646 -1.291 17832 4142 1 11 . 1 1 53 53 HIS CA C 50 53.433 53.433 56.578 -3.145 17832 4143 1 11 . 1 1 53 53 HIS CB C 50 27.694 27.694 30.195 -2.501 17832 4144 1 11 . 1 1 53 53 HIS H H 50 8.068 8.068 8.363 -0.295 17832 4145 1 11 . 1 1 54 54 LYS N N 51 122.136 122.136 124.585 -2.449 17832 4146 1 11 . 1 1 54 54 LYS HA H 51 4.215 4.215 4.581 -0.366 17832 4147 1 11 . 1 1 54 54 LYS C C 51 173.474 173.474 176.107 -2.633 17832 4148 1 11 . 1 1 54 54 LYS CA C 51 53.445 53.445 55.647 -2.202 17832 4149 1 11 . 1 1 54 54 LYS CB C 51 30.329 30.329 33.799 -3.470 17832 4150 1 11 . 1 1 54 54 LYS H H 51 8.121 8.121 8.304 -0.183 17832 4151 1 11 . 1 1 55 55 LYS N N 52 124.022 124.022 123.805 0.217 17832 4152 1 11 . 1 1 55 55 LYS HA H 52 4.508 4.508 4.147 0.361 17832 4153 1 11 . 1 1 55 55 LYS C C 52 171.685 171.685 174.351 -2.666 17832 4154 1 11 . 1 1 55 55 LYS CA C 52 51.516 51.516 56.020 -4.503 17832 4155 1 11 . 1 1 55 55 LYS CB C 52 29.818 29.818 32.221 -2.403 17832 4156 1 11 . 1 1 55 55 LYS H H 52 8.262 8.262 8.634 -0.372 17832 4157 1 11 . 1 1 56 56 PRO HA H 53 4.340 4.340 4.490 -0.150 17832 4158 1 11 . 1 1 56 56 PRO C C 53 173.830 173.830 176.947 -3.117 17832 4159 1 11 . 1 1 56 56 PRO CA C 53 60.496 60.496 62.974 -2.478 17832 4160 1 11 . 1 1 56 56 PRO CB C 53 29.444 29.444 32.606 -3.162 17832 4161 1 11 . 1 1 57 57 ARG N N 54 121.870 121.870 114.625 7.245 17832 4162 1 11 . 1 1 57 57 ARG HA H 54 4.279 4.279 3.979 0.300 17832 4163 1 11 . 1 1 57 57 ARG C C 54 173.560 173.560 175.134 -1.574 17832 4164 1 11 . 1 1 57 57 ARG CA C 54 53.172 53.172 56.530 -3.358 17832 4165 1 11 . 1 1 57 57 ARG CB C 54 28.273 28.273 27.964 0.309 17832 4166 1 11 . 1 1 57 57 ARG H H 54 8.396 8.396 8.665 -0.269 17832 4167 1 11 . 1 1 58 58 ILE N N 55 122.683 122.683 119.830 2.853 17832 4168 1 11 . 1 1 58 58 ILE HA H 55 4.117 4.117 4.127 -0.010 17832 4169 1 11 . 1 1 58 58 ILE C C 55 173.034 173.034 175.543 -2.509 17832 4170 1 11 . 1 1 58 58 ILE CA C 55 58.378 58.378 61.752 -3.374 17832 4171 1 11 . 1 1 58 58 ILE CB C 55 36.113 36.113 39.135 -3.022 17832 4172 1 11 . 1 1 58 58 ILE H H 55 8.258 8.258 7.820 0.438 17832 4173 1 11 . 1 1 59 59 ASP N N 56 123.975 123.975 128.089 -4.114 17832 4174 1 11 . 1 1 59 59 ASP HA H 56 4.581 4.581 4.661 -0.080 17832 4175 1 11 . 1 1 59 59 ASP C C 56 172.780 172.780 174.613 -1.833 17832 4176 1 11 . 1 1 59 59 ASP CA C 56 51.525 51.525 54.055 -2.530 17832 4177 1 11 . 1 1 59 59 ASP CB C 56 38.460 38.460 42.100 -3.640 17832 4178 1 11 . 1 1 59 59 ASP H H 56 8.364 8.364 8.397 -0.033 17832 4179 1 11 . 1 1 60 60 ASP N N 57 121.471 121.471 121.041 0.430 17832 4180 1 11 . 1 1 60 60 ASP HA H 57 4.563 4.563 4.317 0.246 17832 4181 1 11 . 1 1 60 60 ASP C C 57 173.851 173.851 174.950 -1.099 17832 4182 1 11 . 1 1 60 60 ASP CA C 57 51.586 51.586 54.813 -3.227 17832 4183 1 11 . 1 1 60 60 ASP CB C 57 38.468 38.468 41.016 -2.548 17832 4184 1 11 . 1 1 60 60 ASP H H 57 8.393 8.393 8.411 -0.018 17832 4185 1 11 . 1 1 61 61 SER N N 58 116.207 116.207 115.099 1.108 17832 4186 1 11 . 1 1 61 61 SER C C 58 172.389 172.389 173.793 -1.404 17832 4187 1 11 . 1 1 61 61 SER CA C 58 56.129 56.129 58.041 -1.912 17832 4188 1 11 . 1 1 61 61 SER CB C 58 60.945 60.945 64.500 -3.555 17832 4189 1 11 . 1 1 61 61 SER H H 58 8.331 8.331 8.277 0.054 17832 4190 1 11 . 1 1 62 62 SER N N 59 117.805 117.805 116.628 1.177 17832 4191 1 11 . 1 1 62 62 SER C C 59 171.778 171.778 174.708 -2.930 17832 4192 1 11 . 1 1 62 62 SER CA C 59 56.290 56.290 57.640 -1.350 17832 4193 1 11 . 1 1 62 62 SER CB C 59 60.930 60.930 64.141 -3.212 17832 4194 1 11 . 1 1 62 62 SER H H 59 8.334 8.334 8.466 -0.132 17832 4195 1 11 . 1 1 63 63 ASP N N 60 122.124 122.124 124.905 -2.781 17832 4196 1 11 . 1 1 63 63 ASP HA H 60 4.512 4.512 4.615 -0.103 17832 4197 1 11 . 1 1 63 63 ASP C C 60 173.550 173.550 176.933 -3.383 17832 4198 1 11 . 1 1 63 63 ASP CA C 60 51.916 51.916 55.306 -3.390 17832 4199 1 11 . 1 1 63 63 ASP CB C 60 38.264 38.264 41.381 -3.117 17832 4200 1 11 . 1 1 63 63 ASP H H 60 8.278 8.278 8.787 -0.509 17832 4201 1 11 . 1 1 64 64 LEU N N 61 121.450 121.450 120.026 1.424 17832 4202 1 11 . 1 1 64 64 LEU HA H 61 4.223 4.223 4.254 -0.031 17832 4203 1 11 . 1 1 64 64 LEU C C 61 174.603 174.603 176.284 -1.681 17832 4204 1 11 . 1 1 64 64 LEU CA C 61 52.640 52.640 54.827 -2.187 17832 4205 1 11 . 1 1 64 64 LEU CB C 61 39.502 39.502 42.678 -3.176 17832 4206 1 11 . 1 1 64 64 LEU H H 61 7.931 7.931 7.995 -0.064 17832 4207 1 11 . 1 1 65 65 LEU N N 62 122.042 122.042 119.148 2.894 17832 4208 1 11 . 1 1 65 65 LEU HA H 62 4.273 4.273 4.437 -0.164 17832 4209 1 11 . 1 1 65 65 LEU C C 62 174.372 174.372 176.606 -2.234 17832 4210 1 11 . 1 1 65 65 LEU CA C 62 52.339 52.339 54.682 -2.343 17832 4211 1 11 . 1 1 65 65 LEU CB C 62 39.426 39.426 42.374 -2.949 17832 4212 1 11 . 1 1 65 65 LEU H H 62 8.023 8.023 7.974 0.049 17832 4213 1 11 . 1 1 66 66 LYS N N 63 122.782 122.782 121.843 0.939 17832 4214 1 11 . 1 1 66 66 LYS HA H 63 4.349 4.349 4.615 -0.266 17832 4215 1 11 . 1 1 66 66 LYS C C 63 173.936 173.936 176.262 -2.326 17832 4216 1 11 . 1 1 66 66 LYS CA C 63 53.305 53.305 55.681 -2.376 17832 4217 1 11 . 1 1 66 66 LYS CB C 63 30.305 30.305 34.111 -3.806 17832 4218 1 11 . 1 1 66 66 LYS H H 63 8.145 8.145 8.286 -0.141 17832 4219 1 11 . 1 1 67 67 THR N N 64 115.478 115.478 117.694 -2.216 17832 4220 1 11 . 1 1 67 67 THR HA H 64 4.298 4.298 4.450 -0.152 17832 4221 1 11 . 1 1 67 67 THR C C 64 171.473 171.473 174.221 -2.748 17832 4222 1 11 . 1 1 67 67 THR CA C 64 58.943 58.943 62.299 -3.356 17832 4223 1 11 . 1 1 67 67 THR CB C 64 67.038 67.038 68.129 -1.091 17832 4224 1 11 . 1 1 67 67 THR H H 64 8.196 8.196 8.537 -0.341 17832 4225 1 11 . 1 1 68 68 ASP N N 65 122.013 122.013 123.843 -1.830 17832 4226 1 11 . 1 1 68 68 ASP C C 65 173.191 173.191 175.960 -2.769 17832 4227 1 11 . 1 1 68 68 ASP CA C 65 51.628 51.628 53.471 -1.843 17832 4228 1 11 . 1 1 68 68 ASP CB C 65 38.495 38.495 44.034 -5.539 17832 4229 1 11 . 1 1 68 68 ASP H H 65 8.307 8.307 7.995 0.312 17832 4230 1 11 . 1 1 69 69 GLU N N 66 121.260 121.260 119.015 2.245 17832 4231 1 11 . 1 1 69 69 GLU HA H 66 4.235 4.235 4.434 -0.199 17832 4232 1 11 . 1 1 69 69 GLU C C 66 172.706 172.706 175.514 -2.808 17832 4233 1 11 . 1 1 69 69 GLU CA C 66 53.881 53.881 56.813 -2.932 17832 4234 1 11 . 1 1 69 69 GLU CB C 66 27.731 27.731 30.888 -3.157 17832 4235 1 11 . 1 1 69 69 GLU H H 66 8.216 8.216 8.753 -0.537 17832 4236 1 12 . 1 1 3 3 MET C C 0 173.346 173.346 175.568 -2.222 17832 4237 1 12 . 1 1 3 3 MET CA C 0 52.930 52.930 55.178 -2.248 17832 4238 1 12 . 1 1 3 3 MET CB C 0 29.966 29.966 32.354 -2.388 17832 4239 1 12 . 1 1 4 4 MET N N 1 121.822 121.822 119.486 2.336 17832 4240 1 12 . 1 1 4 4 MET HA H 1 4.378 4.378 4.146 0.232 17832 4241 1 12 . 1 1 4 4 MET C C 1 173.585 173.585 175.403 -1.818 17832 4242 1 12 . 1 1 4 4 MET CA C 1 52.943 52.943 55.453 -2.510 17832 4243 1 12 . 1 1 4 4 MET CB C 1 30.112 30.112 31.350 -1.238 17832 4244 1 12 . 1 1 4 4 MET H H 1 8.553 8.553 8.339 0.214 17832 4245 1 12 . 1 1 5 5 SER N N 2 117.291 117.291 115.442 1.849 17832 4246 1 12 . 1 1 5 5 SER HA H 2 4.402 4.402 4.498 -0.096 17832 4247 1 12 . 1 1 5 5 SER C C 2 171.427 171.427 174.641 -3.214 17832 4248 1 12 . 1 1 5 5 SER CA C 2 55.920 55.920 58.099 -2.179 17832 4249 1 12 . 1 1 5 5 SER CB C 2 61.033 61.033 64.330 -3.297 17832 4250 1 12 . 1 1 5 5 SER H H 2 8.337 8.337 7.857 0.480 17832 4251 1 12 . 1 1 6 6 LYS N N 3 121.932 121.932 122.293 -0.361 17832 4252 1 12 . 1 1 6 6 LYS HA H 3 4.282 4.282 4.515 -0.233 17832 4253 1 12 . 1 1 6 6 LYS C C 3 173.822 173.822 175.808 -1.986 17832 4254 1 12 . 1 1 6 6 LYS CA C 3 53.556 53.556 55.701 -2.145 17832 4255 1 12 . 1 1 6 6 LYS CB C 3 30.569 30.569 33.310 -2.741 17832 4256 1 12 . 1 1 6 6 LYS H H 3 8.216 8.216 8.487 -0.271 17832 4257 1 12 . 1 1 7 7 LEU N N 4 123.131 123.131 121.220 1.911 17832 4258 1 12 . 1 1 7 7 LEU HA H 4 4.310 4.310 4.550 -0.240 17832 4259 1 12 . 1 1 7 7 LEU C C 4 176.226 176.226 176.194 0.032 17832 4260 1 12 . 1 1 7 7 LEU CA C 4 52.753 52.753 55.007 -2.254 17832 4261 1 12 . 1 1 7 7 LEU CB C 4 39.626 39.626 42.455 -2.829 17832 4262 1 12 . 1 1 7 7 LEU H H 4 8.301 8.301 8.868 -0.567 17832 4263 1 12 . 1 1 8 8 PHE N N 5 122.547 122.547 115.917 6.630 17832 4264 1 12 . 1 1 8 8 PHE HA H 5 4.313 4.313 5.012 -0.699 17832 4265 1 12 . 1 1 8 8 PHE CA C 5 56.963 56.963 58.432 -1.469 17832 4266 1 12 . 1 1 8 8 PHE CB C 5 35.205 35.205 38.687 -3.482 17832 4267 1 12 . 1 1 8 8 PHE H H 5 8.764 8.764 7.682 1.082 17832 4268 1 12 . 1 1 9 9 LEU HA H 6 3.079 3.079 3.853 -0.774 17832 4269 1 12 . 1 1 9 9 LEU C C 6 175.830 175.830 177.335 -1.505 17832 4270 1 12 . 1 1 9 9 LEU CA C 6 54.075 54.075 57.792 -3.717 17832 4271 1 12 . 1 1 9 9 LEU CB C 6 38.429 38.429 40.729 -2.300 17832 4272 1 12 . 1 1 10 10 ASP N N 7 116.164 116.164 116.961 -0.797 17832 4273 1 12 . 1 1 10 10 ASP HA H 7 4.294 4.294 4.326 -0.032 17832 4274 1 12 . 1 1 10 10 ASP C C 7 174.240 174.240 177.177 -2.937 17832 4275 1 12 . 1 1 10 10 ASP CA C 7 53.201 53.201 56.267 -3.066 17832 4276 1 12 . 1 1 10 10 ASP CB C 7 37.826 37.826 40.428 -2.602 17832 4277 1 12 . 1 1 10 10 ASP H H 7 7.488 7.488 8.221 -0.733 17832 4278 1 12 . 1 1 11 11 GLU N N 8 116.711 116.711 117.457 -0.746 17832 4279 1 12 . 1 1 11 11 GLU HA H 8 4.296 4.296 4.149 0.147 17832 4280 1 12 . 1 1 11 11 GLU C C 8 173.322 173.322 177.037 -3.715 17832 4281 1 12 . 1 1 11 11 GLU CA C 8 53.231 53.231 57.556 -4.325 17832 4282 1 12 . 1 1 11 11 GLU CB C 8 27.333 27.333 30.083 -2.750 17832 4283 1 12 . 1 1 11 11 GLU H H 8 7.496 7.496 8.471 -0.975 17832 4284 1 12 . 1 1 12 12 LEU N N 9 117.751 117.751 120.925 -3.174 17832 4285 1 12 . 1 1 12 12 LEU HA H 9 4.313 4.313 4.352 -0.039 17832 4286 1 12 . 1 1 12 12 LEU C C 9 171.541 171.541 174.572 -3.031 17832 4287 1 12 . 1 1 12 12 LEU CA C 9 49.264 49.264 53.407 -4.143 17832 4288 1 12 . 1 1 12 12 LEU CB C 9 38.581 38.581 41.779 -3.199 17832 4289 1 12 . 1 1 12 12 LEU H H 9 6.803 6.803 7.237 -0.434 17832 4290 1 12 . 1 1 13 13 PRO HA H 10 4.311 4.311 4.358 -0.047 17832 4291 1 12 . 1 1 13 13 PRO C C 10 174.746 174.746 176.573 -1.827 17832 4292 1 12 . 1 1 13 13 PRO CA C 10 60.083 60.083 62.879 -2.796 17832 4293 1 12 . 1 1 13 13 PRO CB C 10 29.131 29.131 32.413 -3.282 17832 4294 1 12 . 1 1 14 14 GLU N N 11 125.693 125.693 117.853 7.840 17832 4295 1 12 . 1 1 14 14 GLU HA H 11 3.854 3.854 4.276 -0.422 17832 4296 1 12 . 1 1 14 14 GLU C C 11 175.180 175.180 178.718 -3.538 17832 4297 1 12 . 1 1 14 14 GLU CA C 11 57.035 57.035 58.341 -1.306 17832 4298 1 12 . 1 1 14 14 GLU CB C 11 26.761 26.761 29.821 -3.060 17832 4299 1 12 . 1 1 14 14 GLU H H 11 8.777 8.777 8.522 0.255 17832 4300 1 12 . 1 1 15 15 SER N N 12 111.734 111.734 115.634 -3.900 17832 4301 1 12 . 1 1 15 15 SER HA H 12 3.884 3.884 4.289 -0.405 17832 4302 1 12 . 1 1 15 15 SER C C 12 173.687 173.687 176.463 -2.776 17832 4303 1 12 . 1 1 15 15 SER CA C 12 58.230 58.230 60.446 -2.216 17832 4304 1 12 . 1 1 15 15 SER CB C 12 58.977 58.977 62.959 -3.982 17832 4305 1 12 . 1 1 15 15 SER H H 12 8.563 8.563 8.362 0.201 17832 4306 1 12 . 1 1 16 16 LEU N N 13 122.925 122.925 121.013 1.912 17832 4307 1 12 . 1 1 16 16 LEU HA H 13 4.081 4.081 4.174 -0.093 17832 4308 1 12 . 1 1 16 16 LEU C C 13 175.385 175.385 178.201 -2.816 17832 4309 1 12 . 1 1 16 16 LEU CA C 13 54.057 54.057 57.304 -3.247 17832 4310 1 12 . 1 1 16 16 LEU CB C 13 39.498 39.498 41.872 -2.374 17832 4311 1 12 . 1 1 16 16 LEU H H 13 6.828 6.828 8.086 -1.258 17832 4312 1 12 . 1 1 17 17 SER N N 14 114.839 114.839 113.954 0.885 17832 4313 1 12 . 1 1 17 17 SER HA H 14 3.585 3.585 4.159 -0.574 17832 4314 1 12 . 1 1 17 17 SER C C 14 175.435 175.435 176.871 -1.436 17832 4315 1 12 . 1 1 17 17 SER CA C 14 58.835 58.835 61.596 -2.761 17832 4316 1 12 . 1 1 17 17 SER CB C 14 59.345 59.345 62.578 -3.233 17832 4317 1 12 . 1 1 17 17 SER H H 14 8.266 8.266 8.381 -0.115 17832 4318 1 12 . 1 1 18 18 ARG N N 15 121.474 121.474 122.176 -0.702 17832 4319 1 12 . 1 1 18 18 ARG HA H 15 3.897 3.897 4.199 -0.302 17832 4320 1 12 . 1 1 18 18 ARG C C 15 176.749 176.749 178.674 -1.925 17832 4321 1 12 . 1 1 18 18 ARG CA C 15 56.827 56.827 59.349 -2.522 17832 4322 1 12 . 1 1 18 18 ARG CB C 15 27.154 27.154 30.574 -3.420 17832 4323 1 12 . 1 1 18 18 ARG H H 15 8.385 8.385 7.388 0.997 17832 4324 1 12 . 1 1 19 19 LYS N N 16 119.494 119.494 120.928 -1.434 17832 4325 1 12 . 1 1 19 19 LYS HA H 16 3.947 3.947 4.172 -0.225 17832 4326 1 12 . 1 1 19 19 LYS C C 16 177.319 177.319 179.001 -1.682 17832 4327 1 12 . 1 1 19 19 LYS CA C 16 57.412 57.412 59.125 -1.713 17832 4328 1 12 . 1 1 19 19 LYS CB C 16 30.432 30.432 32.031 -1.599 17832 4329 1 12 . 1 1 19 19 LYS H H 16 7.269 7.269 7.423 -0.154 17832 4330 1 12 . 1 1 20 20 ILE N N 17 120.972 120.972 119.976 0.996 17832 4331 1 12 . 1 1 20 20 ILE HA H 17 2.813 2.813 3.817 -1.004 17832 4332 1 12 . 1 1 20 20 ILE C C 17 175.324 175.324 178.078 -2.754 17832 4333 1 12 . 1 1 20 20 ILE CA C 17 63.012 63.012 64.877 -1.865 17832 4334 1 12 . 1 1 20 20 ILE CB C 17 34.710 34.710 37.819 -3.109 17832 4335 1 12 . 1 1 20 20 ILE H H 17 7.993 7.993 8.454 -0.461 17832 4336 1 12 . 1 1 21 21 GLY N N 18 106.894 106.894 106.017 0.877 17832 4337 1 12 . 1 1 21 21 GLY C C 18 173.161 173.161 175.835 -2.674 17832 4338 1 12 . 1 1 21 21 GLY CA C 18 44.450 44.450 47.426 -2.976 17832 4339 1 12 . 1 1 21 21 GLY H H 18 8.259 8.259 8.000 0.259 17832 4340 1 12 . 1 1 22 22 THR N N 19 113.696 113.696 115.679 -1.983 17832 4341 1 12 . 1 1 22 22 THR HA H 19 3.946 3.946 4.160 -0.214 17832 4342 1 12 . 1 1 22 22 THR C C 19 173.081 173.081 176.052 -2.971 17832 4343 1 12 . 1 1 22 22 THR CA C 19 62.984 62.984 65.032 -2.049 17832 4344 1 12 . 1 1 22 22 THR CB C 19 66.403 66.403 68.908 -2.505 17832 4345 1 12 . 1 1 22 22 THR H H 19 7.502 7.502 7.449 0.053 17832 4346 1 12 . 1 1 23 23 VAL N N 20 123.120 123.120 120.825 2.295 17832 4347 1 12 . 1 1 23 23 VAL HA H 20 3.649 3.649 3.923 -0.274 17832 4348 1 12 . 1 1 23 23 VAL C C 20 174.858 174.858 177.404 -2.546 17832 4349 1 12 . 1 1 23 23 VAL CA C 20 62.761 62.761 65.124 -2.362 17832 4350 1 12 . 1 1 23 23 VAL CB C 20 29.222 29.222 31.908 -2.686 17832 4351 1 12 . 1 1 23 23 VAL H H 20 7.168 7.168 7.307 -0.139 17832 4352 1 12 . 1 1 24 24 VAL N N 21 119.729 119.729 119.020 0.709 17832 4353 1 12 . 1 1 24 24 VAL HA H 21 3.541 3.541 3.801 -0.260 17832 4354 1 12 . 1 1 24 24 VAL C C 21 174.410 174.410 177.216 -2.806 17832 4355 1 12 . 1 1 24 24 VAL CA C 21 61.966 61.966 65.700 -3.734 17832 4356 1 12 . 1 1 24 24 VAL CB C 21 29.360 29.360 31.500 -2.140 17832 4357 1 12 . 1 1 24 24 VAL H H 21 8.129 8.129 8.148 -0.019 17832 4358 1 12 . 1 1 25 25 ARG N N 22 116.239 116.239 118.957 -2.718 17832 4359 1 12 . 1 1 25 25 ARG HA H 22 3.952 3.952 4.056 -0.104 17832 4360 1 12 . 1 1 25 25 ARG C C 22 174.899 174.899 177.524 -2.625 17832 4361 1 12 . 1 1 25 25 ARG CA C 22 56.097 56.097 58.801 -2.704 17832 4362 1 12 . 1 1 25 25 ARG CB C 22 27.473 27.473 30.194 -2.721 17832 4363 1 12 . 1 1 25 25 ARG H H 22 7.633 7.633 7.782 -0.149 17832 4364 1 12 . 1 1 26 26 VAL N N 23 115.006 115.006 117.190 -2.184 17832 4365 1 12 . 1 1 26 26 VAL HA H 23 3.995 3.995 3.995 0.000 17832 4366 1 12 . 1 1 26 26 VAL C C 23 173.187 173.187 176.529 -3.342 17832 4367 1 12 . 1 1 26 26 VAL CA C 23 61.107 61.107 64.258 -3.151 17832 4368 1 12 . 1 1 26 26 VAL CB C 23 29.977 29.977 32.690 -2.713 17832 4369 1 12 . 1 1 26 26 VAL H H 23 6.886 6.886 7.499 -0.613 17832 4370 1 12 . 1 1 27 27 LEU N N 24 120.940 120.940 119.942 0.998 17832 4371 1 12 . 1 1 27 27 LEU HA H 24 4.930 4.930 4.849 0.081 17832 4372 1 12 . 1 1 27 27 LEU C C 24 171.363 171.363 174.654 -3.291 17832 4373 1 12 . 1 1 27 27 LEU CA C 24 48.752 48.752 52.212 -3.460 17832 4374 1 12 . 1 1 27 27 LEU CB C 24 40.669 40.669 41.858 -1.189 17832 4375 1 12 . 1 1 27 27 LEU H H 24 8.338 8.338 7.298 1.040 17832 4376 1 12 . 1 1 28 28 PRO HA H 25 4.767 4.767 4.411 0.356 17832 4377 1 12 . 1 1 28 28 PRO C C 25 176.742 176.742 178.466 -1.724 17832 4378 1 12 . 1 1 28 28 PRO CA C 25 63.453 63.453 65.189 -1.736 17832 4379 1 12 . 1 1 28 28 PRO CB C 25 29.004 29.004 31.827 -2.823 17832 4380 1 12 . 1 1 29 29 SER N N 26 111.726 111.726 114.738 -3.012 17832 4381 1 12 . 1 1 29 29 SER HA H 26 4.422 4.422 4.270 0.152 17832 4382 1 12 . 1 1 29 29 SER C C 26 172.811 172.811 175.992 -3.181 17832 4383 1 12 . 1 1 29 29 SER CA C 26 57.331 57.331 59.746 -2.415 17832 4384 1 12 . 1 1 29 29 SER CB C 26 59.552 59.552 62.649 -3.097 17832 4385 1 12 . 1 1 29 29 SER H H 26 8.279 8.279 8.561 -0.282 17832 4386 1 12 . 1 1 30 30 SER N N 27 116.503 116.503 119.999 -3.496 17832 4387 1 12 . 1 1 30 30 SER HA H 27 4.103 4.103 3.808 0.295 17832 4388 1 12 . 1 1 30 30 SER C C 27 174.324 174.324 176.099 -1.775 17832 4389 1 12 . 1 1 30 30 SER CA C 27 58.661 58.661 61.047 -2.386 17832 4390 1 12 . 1 1 30 30 SER CB C 27 61.593 61.593 62.708 -1.115 17832 4391 1 12 . 1 1 30 30 SER H H 27 8.642 8.642 7.948 0.694 17832 4392 1 12 . 1 1 31 31 LEU N N 28 126.322 126.322 121.922 4.400 17832 4393 1 12 . 1 1 31 31 LEU HA H 28 4.281 4.281 3.931 0.350 17832 4394 1 12 . 1 1 31 31 LEU C C 28 175.385 175.385 177.908 -2.523 17832 4395 1 12 . 1 1 31 31 LEU CA C 28 56.992 56.992 58.522 -1.530 17832 4396 1 12 . 1 1 31 31 LEU CB C 28 38.241 38.241 41.715 -3.474 17832 4397 1 12 . 1 1 31 31 LEU H H 28 7.634 7.634 7.765 -0.131 17832 4398 1 12 . 1 1 32 32 GLU N N 29 114.812 114.812 117.815 -3.003 17832 4399 1 12 . 1 1 32 32 GLU HA H 29 4.230 4.230 3.991 0.239 17832 4400 1 12 . 1 1 32 32 GLU C C 29 175.711 175.711 179.212 -3.501 17832 4401 1 12 . 1 1 32 32 GLU CA C 29 56.205 56.205 59.315 -3.110 17832 4402 1 12 . 1 1 32 32 GLU CB C 29 26.903 26.903 29.030 -2.127 17832 4403 1 12 . 1 1 32 32 GLU H H 29 8.283 8.283 8.115 0.168 17832 4404 1 12 . 1 1 33 33 ILE N N 30 121.972 121.972 119.336 2.636 17832 4405 1 12 . 1 1 33 33 ILE HA H 30 3.773 3.773 3.669 0.104 17832 4406 1 12 . 1 1 33 33 ILE C C 30 175.177 175.177 178.229 -3.052 17832 4407 1 12 . 1 1 33 33 ILE CA C 30 62.116 62.116 63.272 -1.156 17832 4408 1 12 . 1 1 33 33 ILE CB C 30 35.018 35.018 36.863 -1.845 17832 4409 1 12 . 1 1 33 33 ILE H H 30 7.477 7.477 7.859 -0.382 17832 4410 1 12 . 1 1 34 34 PHE N N 31 117.727 117.727 118.979 -1.252 17832 4411 1 12 . 1 1 34 34 PHE HA H 31 4.208 4.208 4.221 -0.013 17832 4412 1 12 . 1 1 34 34 PHE C C 31 174.731 174.731 178.089 -3.358 17832 4413 1 12 . 1 1 34 34 PHE CA C 31 61.035 61.035 59.899 1.136 17832 4414 1 12 . 1 1 34 34 PHE CB C 31 36.224 36.224 37.661 -1.437 17832 4415 1 12 . 1 1 34 34 PHE H H 31 8.137 8.137 8.197 -0.060 17832 4416 1 12 . 1 1 35 35 GLU N N 32 118.271 118.271 119.845 -1.574 17832 4417 1 12 . 1 1 35 35 GLU HA H 32 2.721 2.721 4.206 -1.485 17832 4418 1 12 . 1 1 35 35 GLU C C 32 174.785 174.785 178.964 -4.179 17832 4419 1 12 . 1 1 35 35 GLU CA C 32 57.304 57.304 60.297 -2.993 17832 4420 1 12 . 1 1 35 35 GLU CB C 32 26.997 26.997 29.272 -2.275 17832 4421 1 12 . 1 1 35 35 GLU H H 32 8.249 8.249 8.818 -0.569 17832 4422 1 12 . 1 1 36 36 GLU N N 33 119.678 119.678 119.432 0.246 17832 4423 1 12 . 1 1 36 36 GLU HA H 33 3.887 3.887 3.999 -0.112 17832 4424 1 12 . 1 1 36 36 GLU C C 33 176.760 176.760 178.876 -2.116 17832 4425 1 12 . 1 1 36 36 GLU CA C 33 57.241 57.241 58.447 -1.206 17832 4426 1 12 . 1 1 36 36 GLU CB C 33 26.806 26.806 29.645 -2.839 17832 4427 1 12 . 1 1 36 36 GLU H H 33 7.971 7.971 7.608 0.363 17832 4428 1 12 . 1 1 37 37 LEU N N 34 120.144 120.144 121.567 -1.423 17832 4429 1 12 . 1 1 37 37 LEU HA H 34 4.280 4.280 4.011 0.269 17832 4430 1 12 . 1 1 37 37 LEU C C 34 174.327 174.327 178.538 -4.211 17832 4431 1 12 . 1 1 37 37 LEU CA C 34 55.502 55.502 57.986 -2.484 17832 4432 1 12 . 1 1 37 37 LEU CB C 34 39.354 39.354 42.205 -2.851 17832 4433 1 12 . 1 1 37 37 LEU H H 34 8.278 8.278 7.709 0.569 17832 4434 1 12 . 1 1 38 38 TYR N N 35 119.703 119.703 116.572 3.131 17832 4435 1 12 . 1 1 38 38 TYR HA H 35 4.070 4.070 4.182 -0.112 17832 4436 1 12 . 1 1 38 38 TYR C C 35 173.298 173.298 177.776 -4.478 17832 4437 1 12 . 1 1 38 38 TYR CA C 35 59.098 59.098 60.261 -1.163 17832 4438 1 12 . 1 1 38 38 TYR CB C 35 36.534 36.534 37.515 -0.981 17832 4439 1 12 . 1 1 38 38 TYR H H 35 8.417 8.417 8.283 0.134 17832 4440 1 12 . 1 1 39 39 LYS N N 36 115.392 115.392 119.605 -4.213 17832 4441 1 12 . 1 1 39 39 LYS HA H 36 3.621 3.621 3.918 -0.297 17832 4442 1 12 . 1 1 39 39 LYS C C 36 176.456 176.456 178.232 -1.776 17832 4443 1 12 . 1 1 39 39 LYS CA C 36 57.011 57.011 58.011 -1.000 17832 4444 1 12 . 1 1 39 39 LYS CB C 36 29.694 29.694 32.020 -2.326 17832 4445 1 12 . 1 1 39 39 LYS H H 36 8.441 8.441 6.954 1.487 17832 4446 1 12 . 1 1 40 40 TYR N N 37 120.325 120.325 121.077 -0.752 17832 4447 1 12 . 1 1 40 40 TYR HA H 37 4.078 4.078 4.016 0.062 17832 4448 1 12 . 1 1 40 40 TYR C C 37 175.043 175.043 177.041 -1.998 17832 4449 1 12 . 1 1 40 40 TYR CA C 37 58.971 58.971 61.967 -2.996 17832 4450 1 12 . 1 1 40 40 TYR CB C 37 35.875 35.875 38.339 -2.464 17832 4451 1 12 . 1 1 40 40 TYR H H 37 8.344 8.344 8.152 0.192 17832 4452 1 12 . 1 1 41 41 ALA N N 38 121.802 121.802 120.179 1.623 17832 4453 1 12 . 1 1 41 41 ALA HA H 38 3.746 3.746 4.034 -0.288 17832 4454 1 12 . 1 1 41 41 ALA C C 38 175.962 175.962 179.157 -3.195 17832 4455 1 12 . 1 1 41 41 ALA CA C 38 51.780 51.780 54.669 -2.889 17832 4456 1 12 . 1 1 41 41 ALA CB C 38 17.381 17.381 18.278 -0.897 17832 4457 1 12 . 1 1 41 41 ALA H H 38 8.291 8.291 7.910 0.381 17832 4458 1 12 . 1 1 42 42 LEU N N 39 116.563 116.563 117.050 -0.487 17832 4459 1 12 . 1 1 42 42 LEU HA H 39 3.820 3.820 4.523 -0.703 17832 4460 1 12 . 1 1 42 42 LEU C C 39 176.020 176.020 178.148 -2.128 17832 4461 1 12 . 1 1 42 42 LEU CA C 39 54.011 54.011 56.901 -2.890 17832 4462 1 12 . 1 1 42 42 LEU CB C 39 39.796 39.796 42.387 -2.591 17832 4463 1 12 . 1 1 42 42 LEU H H 39 7.865 7.865 7.389 0.476 17832 4464 1 12 . 1 1 43 43 ASN N N 40 115.561 115.561 117.113 -1.552 17832 4465 1 12 . 1 1 43 43 ASN HA H 40 4.436 4.436 4.582 -0.146 17832 4466 1 12 . 1 1 43 43 ASN C C 40 173.390 173.390 177.521 -4.131 17832 4467 1 12 . 1 1 43 43 ASN CA C 40 51.492 51.492 55.650 -4.157 17832 4468 1 12 . 1 1 43 43 ASN CB C 40 36.401 36.401 39.192 -2.791 17832 4469 1 12 . 1 1 43 43 ASN H H 40 7.467 7.467 7.810 -0.343 17832 4470 1 12 . 1 1 44 44 GLU N N 41 120.609 120.609 120.217 0.392 17832 4471 1 12 . 1 1 44 44 GLU HA H 41 3.986 3.986 3.891 0.095 17832 4472 1 12 . 1 1 44 44 GLU C C 41 174.161 174.161 178.754 -4.593 17832 4473 1 12 . 1 1 44 44 GLU CA C 41 54.775 54.775 59.080 -4.305 17832 4474 1 12 . 1 1 44 44 GLU CB C 41 27.094 27.094 28.397 -1.303 17832 4475 1 12 . 1 1 44 44 GLU H H 41 7.817 7.817 8.352 -0.535 17832 4476 1 12 . 1 1 45 45 ASN N N 42 118.453 118.453 118.194 0.259 17832 4477 1 12 . 1 1 45 45 ASN HA H 42 4.618 4.618 4.475 0.143 17832 4478 1 12 . 1 1 45 45 ASN C C 42 172.912 172.912 176.417 -3.505 17832 4479 1 12 . 1 1 45 45 ASN CA C 42 50.988 50.988 55.578 -4.590 17832 4480 1 12 . 1 1 45 45 ASN CB C 42 36.267 36.267 38.398 -2.131 17832 4481 1 12 . 1 1 45 45 ASN H H 42 8.087 8.087 8.061 0.026 17832 4482 1 12 . 1 1 46 46 SER N N 43 115.581 115.581 112.713 2.868 17832 4483 1 12 . 1 1 46 46 SER HA H 43 4.292 4.292 4.602 -0.310 17832 4484 1 12 . 1 1 46 46 SER C C 43 172.136 172.136 173.142 -1.006 17832 4485 1 12 . 1 1 46 46 SER CA C 43 56.202 56.202 57.353 -1.151 17832 4486 1 12 . 1 1 46 46 SER CB C 43 60.909 60.909 62.794 -1.885 17832 4487 1 12 . 1 1 46 46 SER H H 43 8.062 8.062 7.767 0.295 17832 4488 1 12 . 1 1 47 47 ASN N N 44 120.517 120.517 121.324 -0.807 17832 4489 1 12 . 1 1 47 47 ASN HA H 44 4.617 4.617 4.845 -0.228 17832 4490 1 12 . 1 1 47 47 ASN C C 44 172.545 172.545 173.749 -1.204 17832 4491 1 12 . 1 1 47 47 ASN CA C 44 51.174 51.174 52.775 -1.601 17832 4492 1 12 . 1 1 47 47 ASN CB C 44 36.208 36.208 40.694 -4.486 17832 4493 1 12 . 1 1 47 47 ASN H H 44 8.329 8.329 7.903 0.426 17832 4494 1 12 . 1 1 48 48 ASP N N 45 120.294 120.294 120.304 -0.010 17832 4495 1 12 . 1 1 48 48 ASP HA H 45 4.500 4.500 4.389 0.111 17832 4496 1 12 . 1 1 48 48 ASP C C 45 173.835 173.835 175.932 -2.097 17832 4497 1 12 . 1 1 48 48 ASP CA C 45 52.030 52.030 55.187 -3.157 17832 4498 1 12 . 1 1 48 48 ASP CB C 45 38.326 38.326 41.571 -3.245 17832 4499 1 12 . 1 1 48 48 ASP H H 45 8.220 8.220 8.484 -0.264 17832 4500 1 12 . 1 1 49 49 ARG N N 46 121.139 121.139 120.680 0.459 17832 4501 1 12 . 1 1 49 49 ARG HA H 46 4.274 4.274 3.966 0.308 17832 4502 1 12 . 1 1 49 49 ARG C C 46 174.032 174.032 176.723 -2.691 17832 4503 1 12 . 1 1 49 49 ARG CA C 46 53.425 53.425 56.672 -3.247 17832 4504 1 12 . 1 1 49 49 ARG CB C 46 27.615 27.615 30.214 -2.599 17832 4505 1 12 . 1 1 49 49 ARG H H 46 8.180 8.180 8.585 -0.405 17832 4506 1 12 . 1 1 50 50 SER N N 47 116.289 116.289 114.152 2.137 17832 4507 1 12 . 1 1 50 50 SER HA H 47 4.269 4.269 4.089 0.180 17832 4508 1 12 . 1 1 50 50 SER C C 47 172.337 172.337 173.635 -1.298 17832 4509 1 12 . 1 1 50 50 SER CA C 47 56.379 56.379 60.422 -4.043 17832 4510 1 12 . 1 1 50 50 SER CB C 47 60.970 60.970 63.106 -2.136 17832 4511 1 12 . 1 1 50 50 SER H H 47 8.236 8.236 8.498 -0.262 17832 4512 1 12 . 1 1 51 51 GLU N N 48 122.019 122.019 119.209 2.810 17832 4513 1 12 . 1 1 51 51 GLU HA H 48 4.134 4.134 4.452 -0.318 17832 4514 1 12 . 1 1 51 51 GLU C C 48 174.002 174.002 174.460 -0.458 17832 4515 1 12 . 1 1 51 51 GLU CA C 48 54.285 54.285 56.084 -1.799 17832 4516 1 12 . 1 1 51 51 GLU CB C 48 27.192 27.192 32.845 -5.653 17832 4517 1 12 . 1 1 51 51 GLU H H 48 8.423 8.423 8.133 0.290 17832 4518 1 12 . 1 1 52 52 HIS N N 49 119.075 119.075 120.512 -1.437 17832 4519 1 12 . 1 1 52 52 HIS HA H 49 4.486 4.486 4.880 -0.394 17832 4520 1 12 . 1 1 52 52 HIS C C 49 172.663 172.663 174.441 -1.778 17832 4521 1 12 . 1 1 52 52 HIS CA C 49 53.775 53.775 55.257 -1.482 17832 4522 1 12 . 1 1 52 52 HIS CB C 49 27.714 27.714 30.746 -3.032 17832 4523 1 12 . 1 1 52 52 HIS H H 49 8.117 8.117 7.972 0.145 17832 4524 1 12 . 1 1 53 53 HIS N N 50 119.483 119.483 118.566 0.917 17832 4525 1 12 . 1 1 53 53 HIS HA H 50 4.538 4.538 4.818 -0.280 17832 4526 1 12 . 1 1 53 53 HIS C C 50 172.355 172.355 174.761 -2.406 17832 4527 1 12 . 1 1 53 53 HIS CA C 50 53.433 53.433 55.393 -1.960 17832 4528 1 12 . 1 1 53 53 HIS CB C 50 27.694 27.694 31.088 -3.394 17832 4529 1 12 . 1 1 53 53 HIS H H 50 8.068 8.068 8.819 -0.751 17832 4530 1 12 . 1 1 54 54 LYS N N 51 122.136 122.136 120.793 1.343 17832 4531 1 12 . 1 1 54 54 LYS HA H 51 4.215 4.215 4.031 0.184 17832 4532 1 12 . 1 1 54 54 LYS C C 51 173.474 173.474 175.356 -1.882 17832 4533 1 12 . 1 1 54 54 LYS CA C 51 53.445 53.445 56.880 -3.435 17832 4534 1 12 . 1 1 54 54 LYS CB C 51 30.329 30.329 32.705 -2.376 17832 4535 1 12 . 1 1 54 54 LYS H H 51 8.121 8.121 8.777 -0.656 17832 4536 1 12 . 1 1 55 55 LYS N N 52 124.022 124.022 119.688 4.334 17832 4537 1 12 . 1 1 55 55 LYS HA H 52 4.508 4.508 4.673 -0.165 17832 4538 1 12 . 1 1 55 55 LYS C C 52 171.685 171.685 175.599 -3.914 17832 4539 1 12 . 1 1 55 55 LYS CA C 52 51.516 51.516 54.324 -2.808 17832 4540 1 12 . 1 1 55 55 LYS CB C 52 29.818 29.818 32.835 -3.017 17832 4541 1 12 . 1 1 55 55 LYS H H 52 8.262 8.262 8.305 -0.043 17832 4542 1 12 . 1 1 56 56 PRO HA H 53 4.340 4.340 4.465 -0.125 17832 4543 1 12 . 1 1 56 56 PRO C C 53 173.830 173.830 176.159 -2.329 17832 4544 1 12 . 1 1 56 56 PRO CA C 53 60.496 60.496 62.696 -2.200 17832 4545 1 12 . 1 1 56 56 PRO CB C 53 29.444 29.444 30.436 -0.992 17832 4546 1 12 . 1 1 57 57 ARG N N 54 121.870 121.870 118.668 3.202 17832 4547 1 12 . 1 1 57 57 ARG HA H 54 4.279 4.279 3.981 0.298 17832 4548 1 12 . 1 1 57 57 ARG C C 54 173.560 173.560 175.599 -2.039 17832 4549 1 12 . 1 1 57 57 ARG CA C 54 53.172 53.172 56.697 -3.525 17832 4550 1 12 . 1 1 57 57 ARG CB C 54 28.273 28.273 28.420 -0.147 17832 4551 1 12 . 1 1 57 57 ARG H H 54 8.396 8.396 8.380 0.016 17832 4552 1 12 . 1 1 58 58 ILE N N 55 122.683 122.683 121.546 1.137 17832 4553 1 12 . 1 1 58 58 ILE HA H 55 4.117 4.117 4.192 -0.075 17832 4554 1 12 . 1 1 58 58 ILE C C 55 173.034 173.034 175.645 -2.611 17832 4555 1 12 . 1 1 58 58 ILE CA C 55 58.378 58.378 60.760 -2.382 17832 4556 1 12 . 1 1 58 58 ILE CB C 55 36.113 36.113 38.718 -2.605 17832 4557 1 12 . 1 1 58 58 ILE H H 55 8.258 8.258 8.249 0.009 17832 4558 1 12 . 1 1 59 59 ASP N N 56 123.975 123.975 122.850 1.125 17832 4559 1 12 . 1 1 59 59 ASP HA H 56 4.581 4.581 4.701 -0.120 17832 4560 1 12 . 1 1 59 59 ASP C C 56 172.780 172.780 175.703 -2.923 17832 4561 1 12 . 1 1 59 59 ASP CA C 56 51.525 51.525 55.033 -3.508 17832 4562 1 12 . 1 1 59 59 ASP CB C 56 38.460 38.460 41.035 -2.575 17832 4563 1 12 . 1 1 59 59 ASP H H 56 8.364 8.364 8.042 0.322 17832 4564 1 12 . 1 1 60 60 ASP N N 57 121.471 121.471 121.432 0.039 17832 4565 1 12 . 1 1 60 60 ASP HA H 57 4.563 4.563 4.761 -0.198 17832 4566 1 12 . 1 1 60 60 ASP C C 57 173.851 173.851 175.584 -1.733 17832 4567 1 12 . 1 1 60 60 ASP CA C 57 51.586 51.586 53.762 -2.176 17832 4568 1 12 . 1 1 60 60 ASP CB C 57 38.468 38.468 43.038 -4.570 17832 4569 1 12 . 1 1 60 60 ASP H H 57 8.393 8.393 8.355 0.038 17832 4570 1 12 . 1 1 61 61 SER N N 58 116.207 116.207 118.639 -2.432 17832 4571 1 12 . 1 1 61 61 SER C C 58 172.389 172.389 175.461 -3.072 17832 4572 1 12 . 1 1 61 61 SER CA C 58 56.129 56.129 59.216 -3.087 17832 4573 1 12 . 1 1 61 61 SER CB C 58 60.945 60.945 63.562 -2.616 17832 4574 1 12 . 1 1 61 61 SER H H 58 8.331 8.331 8.577 -0.246 17832 4575 1 12 . 1 1 62 62 SER N N 59 117.805 117.805 117.191 0.614 17832 4576 1 12 . 1 1 62 62 SER C C 59 171.778 171.778 173.454 -1.676 17832 4577 1 12 . 1 1 62 62 SER CA C 59 56.290 56.290 59.556 -3.266 17832 4578 1 12 . 1 1 62 62 SER CB C 59 60.930 60.930 63.097 -2.167 17832 4579 1 12 . 1 1 62 62 SER H H 59 8.334 8.334 8.412 -0.078 17832 4580 1 12 . 1 1 63 63 ASP N N 60 122.124 122.124 126.747 -4.623 17832 4581 1 12 . 1 1 63 63 ASP HA H 60 4.512 4.512 4.827 -0.315 17832 4582 1 12 . 1 1 63 63 ASP C C 60 173.550 173.550 175.317 -1.767 17832 4583 1 12 . 1 1 63 63 ASP CA C 60 51.916 51.916 53.565 -1.649 17832 4584 1 12 . 1 1 63 63 ASP CB C 60 38.264 38.264 41.335 -3.071 17832 4585 1 12 . 1 1 63 63 ASP H H 60 8.278 8.278 8.236 0.042 17832 4586 1 12 . 1 1 64 64 LEU N N 61 121.450 121.450 122.443 -0.993 17832 4587 1 12 . 1 1 64 64 LEU HA H 61 4.223 4.223 4.019 0.204 17832 4588 1 12 . 1 1 64 64 LEU C C 61 174.603 174.603 176.811 -2.208 17832 4589 1 12 . 1 1 64 64 LEU CA C 61 52.640 52.640 55.233 -2.593 17832 4590 1 12 . 1 1 64 64 LEU CB C 61 39.502 39.502 42.354 -2.852 17832 4591 1 12 . 1 1 64 64 LEU H H 61 7.931 7.931 8.196 -0.265 17832 4592 1 12 . 1 1 65 65 LEU N N 62 122.042 122.042 121.254 0.788 17832 4593 1 12 . 1 1 65 65 LEU HA H 62 4.273 4.273 4.236 0.037 17832 4594 1 12 . 1 1 65 65 LEU C C 62 174.372 174.372 177.386 -3.014 17832 4595 1 12 . 1 1 65 65 LEU CA C 62 52.339 52.339 56.816 -4.477 17832 4596 1 12 . 1 1 65 65 LEU CB C 62 39.426 39.426 42.187 -2.761 17832 4597 1 12 . 1 1 65 65 LEU H H 62 8.023 8.023 8.259 -0.236 17832 4598 1 12 . 1 1 66 66 LYS N N 63 122.782 122.782 118.298 4.484 17832 4599 1 12 . 1 1 66 66 LYS HA H 63 4.349 4.349 4.472 -0.123 17832 4600 1 12 . 1 1 66 66 LYS C C 63 173.936 173.936 176.252 -2.316 17832 4601 1 12 . 1 1 66 66 LYS CA C 63 53.305 53.305 55.979 -2.674 17832 4602 1 12 . 1 1 66 66 LYS CB C 63 30.305 30.305 33.419 -3.114 17832 4603 1 12 . 1 1 66 66 LYS H H 63 8.145 8.145 7.842 0.303 17832 4604 1 12 . 1 1 67 67 THR N N 64 115.478 115.478 118.476 -2.998 17832 4605 1 12 . 1 1 67 67 THR HA H 64 4.298 4.298 4.483 -0.185 17832 4606 1 12 . 1 1 67 67 THR C C 64 171.473 171.473 173.486 -2.013 17832 4607 1 12 . 1 1 67 67 THR CA C 64 58.943 58.943 62.772 -3.829 17832 4608 1 12 . 1 1 67 67 THR CB C 64 67.038 67.038 68.693 -1.655 17832 4609 1 12 . 1 1 67 67 THR H H 64 8.196 8.196 8.484 -0.288 17832 4610 1 12 . 1 1 68 68 ASP N N 65 122.013 122.013 123.828 -1.815 17832 4611 1 12 . 1 1 68 68 ASP C C 65 173.191 173.191 176.241 -3.050 17832 4612 1 12 . 1 1 68 68 ASP CA C 65 51.628 51.628 54.266 -2.638 17832 4613 1 12 . 1 1 68 68 ASP CB C 65 38.495 38.495 41.886 -3.392 17832 4614 1 12 . 1 1 68 68 ASP H H 65 8.307 8.307 8.477 -0.170 17832 4615 1 12 . 1 1 69 69 GLU N N 66 121.260 121.260 120.622 0.638 17832 4616 1 12 . 1 1 69 69 GLU HA H 66 4.235 4.235 4.341 -0.106 17832 4617 1 12 . 1 1 69 69 GLU C C 66 172.706 172.706 177.190 -4.484 17832 4618 1 12 . 1 1 69 69 GLU CA C 66 53.881 53.881 56.342 -2.461 17832 4619 1 12 . 1 1 69 69 GLU CB C 66 27.731 27.731 30.120 -2.389 17832 4620 1 12 . 1 1 69 69 GLU H H 66 8.216 8.216 8.104 0.112 17832 4621 1 13 . 1 1 3 3 MET C C 0 173.346 173.346 174.619 -1.273 17832 4622 1 13 . 1 1 3 3 MET CA C 0 52.930 52.930 55.226 -2.296 17832 4623 1 13 . 1 1 3 3 MET CB C 0 29.966 29.966 33.944 -3.978 17832 4624 1 13 . 1 1 4 4 MET N N 1 121.822 121.822 121.845 -0.023 17832 4625 1 13 . 1 1 4 4 MET HA H 1 4.378 4.378 4.741 -0.363 17832 4626 1 13 . 1 1 4 4 MET C C 1 173.585 173.585 174.531 -0.946 17832 4627 1 13 . 1 1 4 4 MET CA C 1 52.943 52.943 55.260 -2.317 17832 4628 1 13 . 1 1 4 4 MET CB C 1 30.112 30.112 34.025 -3.913 17832 4629 1 13 . 1 1 4 4 MET H H 1 8.553 8.553 8.347 0.206 17832 4630 1 13 . 1 1 5 5 SER N N 2 117.291 117.291 117.753 -0.462 17832 4631 1 13 . 1 1 5 5 SER HA H 2 4.402 4.402 4.652 -0.250 17832 4632 1 13 . 1 1 5 5 SER C C 2 171.427 171.427 173.361 -1.934 17832 4633 1 13 . 1 1 5 5 SER CA C 2 55.920 55.920 58.477 -2.557 17832 4634 1 13 . 1 1 5 5 SER CB C 2 61.033 61.033 64.029 -2.996 17832 4635 1 13 . 1 1 5 5 SER H H 2 8.337 8.337 8.616 -0.279 17832 4636 1 13 . 1 1 6 6 LYS N N 3 121.932 121.932 123.289 -1.357 17832 4637 1 13 . 1 1 6 6 LYS HA H 3 4.282 4.282 3.826 0.456 17832 4638 1 13 . 1 1 6 6 LYS C C 3 173.822 173.822 175.661 -1.839 17832 4639 1 13 . 1 1 6 6 LYS CA C 3 53.556 53.556 56.475 -2.920 17832 4640 1 13 . 1 1 6 6 LYS CB C 3 30.569 30.569 33.058 -2.489 17832 4641 1 13 . 1 1 6 6 LYS H H 3 8.216 8.216 8.271 -0.055 17832 4642 1 13 . 1 1 7 7 LEU N N 4 123.131 123.131 120.858 2.273 17832 4643 1 13 . 1 1 7 7 LEU HA H 4 4.310 4.310 4.397 -0.087 17832 4644 1 13 . 1 1 7 7 LEU C C 4 176.226 176.226 176.872 -0.646 17832 4645 1 13 . 1 1 7 7 LEU CA C 4 52.753 52.753 56.647 -3.893 17832 4646 1 13 . 1 1 7 7 LEU CB C 4 39.626 39.626 42.244 -2.618 17832 4647 1 13 . 1 1 7 7 LEU H H 4 8.301 8.301 7.487 0.814 17832 4648 1 13 . 1 1 8 8 PHE N N 5 122.547 122.547 115.970 6.577 17832 4649 1 13 . 1 1 8 8 PHE HA H 5 4.313 4.313 4.333 -0.020 17832 4650 1 13 . 1 1 8 8 PHE CA C 5 56.963 56.963 59.430 -2.467 17832 4651 1 13 . 1 1 8 8 PHE CB C 5 35.205 35.205 36.994 -1.789 17832 4652 1 13 . 1 1 8 8 PHE H H 5 8.764 8.764 7.475 1.289 17832 4653 1 13 . 1 1 9 9 LEU HA H 6 3.079 3.079 4.268 -1.189 17832 4654 1 13 . 1 1 9 9 LEU C C 6 175.830 175.830 177.267 -1.437 17832 4655 1 13 . 1 1 9 9 LEU CA C 6 54.075 54.075 56.081 -2.006 17832 4656 1 13 . 1 1 9 9 LEU CB C 6 38.429 38.429 41.625 -3.196 17832 4657 1 13 . 1 1 10 10 ASP N N 7 116.164 116.164 117.463 -1.299 17832 4658 1 13 . 1 1 10 10 ASP HA H 7 4.294 4.294 4.456 -0.162 17832 4659 1 13 . 1 1 10 10 ASP C C 7 174.240 174.240 177.280 -3.040 17832 4660 1 13 . 1 1 10 10 ASP CA C 7 53.201 53.201 56.541 -3.340 17832 4661 1 13 . 1 1 10 10 ASP CB C 7 37.826 37.826 40.969 -3.143 17832 4662 1 13 . 1 1 10 10 ASP H H 7 7.488 7.488 7.584 -0.096 17832 4663 1 13 . 1 1 11 11 GLU N N 8 116.711 116.711 116.495 0.216 17832 4664 1 13 . 1 1 11 11 GLU HA H 8 4.296 4.296 4.107 0.189 17832 4665 1 13 . 1 1 11 11 GLU C C 8 173.322 173.322 177.405 -4.083 17832 4666 1 13 . 1 1 11 11 GLU CA C 8 53.231 53.231 58.139 -4.908 17832 4667 1 13 . 1 1 11 11 GLU CB C 8 27.333 27.333 30.254 -2.921 17832 4668 1 13 . 1 1 11 11 GLU H H 8 7.496 7.496 7.753 -0.257 17832 4669 1 13 . 1 1 12 12 LEU N N 9 117.751 117.751 116.449 1.302 17832 4670 1 13 . 1 1 12 12 LEU HA H 9 4.313 4.313 4.619 -0.306 17832 4671 1 13 . 1 1 12 12 LEU C C 9 171.541 171.541 174.622 -3.081 17832 4672 1 13 . 1 1 12 12 LEU CA C 9 49.264 49.264 52.014 -2.750 17832 4673 1 13 . 1 1 12 12 LEU CB C 9 38.581 38.581 40.913 -2.332 17832 4674 1 13 . 1 1 12 12 LEU H H 9 6.803 6.803 7.418 -0.615 17832 4675 1 13 . 1 1 13 13 PRO HA H 10 4.311 4.311 4.387 -0.076 17832 4676 1 13 . 1 1 13 13 PRO C C 10 174.746 174.746 178.062 -3.316 17832 4677 1 13 . 1 1 13 13 PRO CA C 10 60.083 60.083 63.087 -3.004 17832 4678 1 13 . 1 1 13 13 PRO CB C 10 29.131 29.131 32.429 -3.298 17832 4679 1 13 . 1 1 14 14 GLU N N 11 125.693 125.693 123.247 2.446 17832 4680 1 13 . 1 1 14 14 GLU HA H 11 3.854 3.854 3.877 -0.023 17832 4681 1 13 . 1 1 14 14 GLU C C 11 175.180 175.180 178.363 -3.183 17832 4682 1 13 . 1 1 14 14 GLU CA C 11 57.035 57.035 60.659 -3.624 17832 4683 1 13 . 1 1 14 14 GLU CB C 11 26.761 26.761 29.108 -2.347 17832 4684 1 13 . 1 1 14 14 GLU H H 11 8.777 8.777 8.991 -0.214 17832 4685 1 13 . 1 1 15 15 SER N N 12 111.734 111.734 115.502 -3.768 17832 4686 1 13 . 1 1 15 15 SER HA H 12 3.884 3.884 4.197 -0.313 17832 4687 1 13 . 1 1 15 15 SER C C 12 173.687 173.687 176.170 -2.483 17832 4688 1 13 . 1 1 15 15 SER CA C 12 58.230 58.230 61.181 -2.951 17832 4689 1 13 . 1 1 15 15 SER CB C 12 58.977 58.977 62.443 -3.466 17832 4690 1 13 . 1 1 15 15 SER H H 12 8.563 8.563 8.406 0.157 17832 4691 1 13 . 1 1 16 16 LEU N N 13 122.925 122.925 121.314 1.611 17832 4692 1 13 . 1 1 16 16 LEU HA H 13 4.081 4.081 4.245 -0.164 17832 4693 1 13 . 1 1 16 16 LEU C C 13 175.385 175.385 178.582 -3.197 17832 4694 1 13 . 1 1 16 16 LEU CA C 13 54.057 54.057 56.673 -2.616 17832 4695 1 13 . 1 1 16 16 LEU CB C 13 39.498 39.498 41.931 -2.433 17832 4696 1 13 . 1 1 16 16 LEU H H 13 6.828 6.828 7.371 -0.543 17832 4697 1 13 . 1 1 17 17 SER N N 14 114.839 114.839 115.549 -0.710 17832 4698 1 13 . 1 1 17 17 SER HA H 14 3.585 3.585 4.120 -0.535 17832 4699 1 13 . 1 1 17 17 SER C C 14 175.435 175.435 176.911 -1.476 17832 4700 1 13 . 1 1 17 17 SER CA C 14 58.835 58.835 62.142 -3.307 17832 4701 1 13 . 1 1 17 17 SER CB C 14 59.345 59.345 62.890 -3.545 17832 4702 1 13 . 1 1 17 17 SER H H 14 8.266 8.266 8.229 0.037 17832 4703 1 13 . 1 1 18 18 ARG N N 15 121.474 121.474 120.381 1.093 17832 4704 1 13 . 1 1 18 18 ARG HA H 15 3.897 3.897 4.129 -0.232 17832 4705 1 13 . 1 1 18 18 ARG C C 15 176.749 176.749 178.412 -1.663 17832 4706 1 13 . 1 1 18 18 ARG CA C 15 56.827 56.827 59.121 -2.294 17832 4707 1 13 . 1 1 18 18 ARG CB C 15 27.154 27.154 30.168 -3.014 17832 4708 1 13 . 1 1 18 18 ARG H H 15 8.385 8.385 7.736 0.649 17832 4709 1 13 . 1 1 19 19 LYS N N 16 119.494 119.494 118.526 0.968 17832 4710 1 13 . 1 1 19 19 LYS HA H 16 3.947 3.947 4.190 -0.243 17832 4711 1 13 . 1 1 19 19 LYS C C 16 177.319 177.319 179.034 -1.715 17832 4712 1 13 . 1 1 19 19 LYS CA C 16 57.412 57.412 58.523 -1.111 17832 4713 1 13 . 1 1 19 19 LYS CB C 16 30.432 30.432 32.645 -2.213 17832 4714 1 13 . 1 1 19 19 LYS H H 16 7.269 7.269 7.662 -0.393 17832 4715 1 13 . 1 1 20 20 ILE N N 17 120.972 120.972 120.586 0.386 17832 4716 1 13 . 1 1 20 20 ILE HA H 17 2.813 2.813 3.790 -0.977 17832 4717 1 13 . 1 1 20 20 ILE C C 17 175.324 175.324 177.842 -2.518 17832 4718 1 13 . 1 1 20 20 ILE CA C 17 63.012 63.012 65.169 -2.157 17832 4719 1 13 . 1 1 20 20 ILE CB C 17 34.710 34.710 37.732 -3.022 17832 4720 1 13 . 1 1 20 20 ILE H H 17 7.993 7.993 8.422 -0.429 17832 4721 1 13 . 1 1 21 21 GLY N N 18 106.894 106.894 106.034 0.860 17832 4722 1 13 . 1 1 21 21 GLY C C 18 173.161 173.161 175.466 -2.305 17832 4723 1 13 . 1 1 21 21 GLY CA C 18 44.450 44.450 47.551 -3.101 17832 4724 1 13 . 1 1 21 21 GLY H H 18 8.259 8.259 8.457 -0.198 17832 4725 1 13 . 1 1 22 22 THR N N 19 113.696 113.696 115.288 -1.592 17832 4726 1 13 . 1 1 22 22 THR HA H 19 3.946 3.946 4.204 -0.258 17832 4727 1 13 . 1 1 22 22 THR C C 19 173.081 173.081 176.010 -2.929 17832 4728 1 13 . 1 1 22 22 THR CA C 19 62.984 62.984 64.640 -1.656 17832 4729 1 13 . 1 1 22 22 THR CB C 19 66.403 66.403 68.884 -2.481 17832 4730 1 13 . 1 1 22 22 THR H H 19 7.502 7.502 7.373 0.129 17832 4731 1 13 . 1 1 23 23 VAL N N 20 123.120 123.120 121.460 1.660 17832 4732 1 13 . 1 1 23 23 VAL HA H 20 3.649 3.649 3.978 -0.329 17832 4733 1 13 . 1 1 23 23 VAL C C 20 174.858 174.858 177.239 -2.381 17832 4734 1 13 . 1 1 23 23 VAL CA C 20 62.761 62.761 65.080 -2.319 17832 4735 1 13 . 1 1 23 23 VAL CB C 20 29.222 29.222 31.867 -2.645 17832 4736 1 13 . 1 1 23 23 VAL H H 20 7.168 7.168 7.394 -0.226 17832 4737 1 13 . 1 1 24 24 VAL N N 21 119.729 119.729 120.465 -0.736 17832 4738 1 13 . 1 1 24 24 VAL HA H 21 3.541 3.541 3.723 -0.182 17832 4739 1 13 . 1 1 24 24 VAL C C 21 174.410 174.410 177.026 -2.616 17832 4740 1 13 . 1 1 24 24 VAL CA C 21 61.966 61.966 66.001 -4.035 17832 4741 1 13 . 1 1 24 24 VAL CB C 21 29.360 29.360 31.458 -2.098 17832 4742 1 13 . 1 1 24 24 VAL H H 21 8.129 8.129 8.117 0.012 17832 4743 1 13 . 1 1 25 25 ARG N N 22 116.239 116.239 117.925 -1.686 17832 4744 1 13 . 1 1 25 25 ARG HA H 22 3.952 3.952 4.090 -0.138 17832 4745 1 13 . 1 1 25 25 ARG C C 22 174.899 174.899 177.479 -2.580 17832 4746 1 13 . 1 1 25 25 ARG CA C 22 56.097 56.097 58.711 -2.614 17832 4747 1 13 . 1 1 25 25 ARG CB C 22 27.473 27.473 30.157 -2.684 17832 4748 1 13 . 1 1 25 25 ARG H H 22 7.633 7.633 7.868 -0.235 17832 4749 1 13 . 1 1 26 26 VAL N N 23 115.006 115.006 117.245 -2.239 17832 4750 1 13 . 1 1 26 26 VAL HA H 23 3.995 3.995 3.966 0.029 17832 4751 1 13 . 1 1 26 26 VAL C C 23 173.187 173.187 176.814 -3.627 17832 4752 1 13 . 1 1 26 26 VAL CA C 23 61.107 61.107 64.489 -3.382 17832 4753 1 13 . 1 1 26 26 VAL CB C 23 29.977 29.977 32.716 -2.739 17832 4754 1 13 . 1 1 26 26 VAL H H 23 6.886 6.886 7.832 -0.946 17832 4755 1 13 . 1 1 27 27 LEU N N 24 120.940 120.940 120.123 0.817 17832 4756 1 13 . 1 1 27 27 LEU HA H 24 4.930 4.930 4.884 0.046 17832 4757 1 13 . 1 1 27 27 LEU C C 24 171.363 171.363 174.567 -3.204 17832 4758 1 13 . 1 1 27 27 LEU CA C 24 48.752 48.752 52.642 -3.890 17832 4759 1 13 . 1 1 27 27 LEU CB C 24 40.669 40.669 43.180 -2.511 17832 4760 1 13 . 1 1 27 27 LEU H H 24 8.338 8.338 7.297 1.041 17832 4761 1 13 . 1 1 28 28 PRO HA H 25 4.767 4.767 4.448 0.319 17832 4762 1 13 . 1 1 28 28 PRO C C 25 176.742 176.742 178.393 -1.651 17832 4763 1 13 . 1 1 28 28 PRO CA C 25 63.453 63.453 65.336 -1.883 17832 4764 1 13 . 1 1 28 28 PRO CB C 25 29.004 29.004 32.103 -3.099 17832 4765 1 13 . 1 1 29 29 SER N N 26 111.726 111.726 112.074 -0.348 17832 4766 1 13 . 1 1 29 29 SER HA H 26 4.422 4.422 4.441 -0.019 17832 4767 1 13 . 1 1 29 29 SER C C 26 172.811 172.811 176.159 -3.348 17832 4768 1 13 . 1 1 29 29 SER CA C 26 57.331 57.331 60.632 -3.301 17832 4769 1 13 . 1 1 29 29 SER CB C 26 59.552 59.552 62.820 -3.268 17832 4770 1 13 . 1 1 29 29 SER H H 26 8.279 8.279 8.462 -0.183 17832 4771 1 13 . 1 1 30 30 SER N N 27 116.503 116.503 118.749 -2.246 17832 4772 1 13 . 1 1 30 30 SER HA H 27 4.103 4.103 4.037 0.066 17832 4773 1 13 . 1 1 30 30 SER C C 27 174.324 174.324 176.332 -2.008 17832 4774 1 13 . 1 1 30 30 SER CA C 27 58.661 58.661 60.718 -2.057 17832 4775 1 13 . 1 1 30 30 SER CB C 27 61.593 61.593 62.906 -1.312 17832 4776 1 13 . 1 1 30 30 SER H H 27 8.642 8.642 7.872 0.770 17832 4777 1 13 . 1 1 31 31 LEU N N 28 126.322 126.322 122.223 4.099 17832 4778 1 13 . 1 1 31 31 LEU HA H 28 4.281 4.281 4.049 0.232 17832 4779 1 13 . 1 1 31 31 LEU C C 28 175.385 175.385 177.800 -2.415 17832 4780 1 13 . 1 1 31 31 LEU CA C 28 56.992 56.992 58.066 -1.074 17832 4781 1 13 . 1 1 31 31 LEU CB C 28 38.241 38.241 41.840 -3.599 17832 4782 1 13 . 1 1 31 31 LEU H H 28 7.634 7.634 7.796 -0.162 17832 4783 1 13 . 1 1 32 32 GLU N N 29 114.812 114.812 118.724 -3.912 17832 4784 1 13 . 1 1 32 32 GLU HA H 29 4.230 4.230 3.907 0.323 17832 4785 1 13 . 1 1 32 32 GLU C C 29 175.711 175.711 179.029 -3.318 17832 4786 1 13 . 1 1 32 32 GLU CA C 29 56.205 56.205 59.541 -3.336 17832 4787 1 13 . 1 1 32 32 GLU CB C 29 26.903 26.903 28.922 -2.019 17832 4788 1 13 . 1 1 32 32 GLU H H 29 8.283 8.283 7.793 0.490 17832 4789 1 13 . 1 1 33 33 ILE N N 30 121.972 121.972 119.353 2.619 17832 4790 1 13 . 1 1 33 33 ILE HA H 30 3.773 3.773 3.651 0.122 17832 4791 1 13 . 1 1 33 33 ILE C C 30 175.177 175.177 177.680 -2.503 17832 4792 1 13 . 1 1 33 33 ILE CA C 30 62.116 62.116 64.834 -2.718 17832 4793 1 13 . 1 1 33 33 ILE CB C 30 35.018 35.018 37.778 -2.760 17832 4794 1 13 . 1 1 33 33 ILE H H 30 7.477 7.477 7.975 -0.498 17832 4795 1 13 . 1 1 34 34 PHE N N 31 117.727 117.727 118.769 -1.042 17832 4796 1 13 . 1 1 34 34 PHE HA H 31 4.208 4.208 4.284 -0.076 17832 4797 1 13 . 1 1 34 34 PHE C C 31 174.731 174.731 178.135 -3.404 17832 4798 1 13 . 1 1 34 34 PHE CA C 31 61.035 61.035 59.819 1.216 17832 4799 1 13 . 1 1 34 34 PHE CB C 31 36.224 36.224 37.702 -1.478 17832 4800 1 13 . 1 1 34 34 PHE H H 31 8.137 8.137 6.785 1.352 17832 4801 1 13 . 1 1 35 35 GLU N N 32 118.271 118.271 119.573 -1.302 17832 4802 1 13 . 1 1 35 35 GLU HA H 32 2.721 2.721 4.344 -1.623 17832 4803 1 13 . 1 1 35 35 GLU C C 32 174.785 174.785 179.064 -4.279 17832 4804 1 13 . 1 1 35 35 GLU CA C 32 57.304 57.304 59.880 -2.575 17832 4805 1 13 . 1 1 35 35 GLU CB C 32 26.997 26.997 29.202 -2.205 17832 4806 1 13 . 1 1 35 35 GLU H H 32 8.249 8.249 8.755 -0.506 17832 4807 1 13 . 1 1 36 36 GLU N N 33 119.678 119.678 119.133 0.545 17832 4808 1 13 . 1 1 36 36 GLU HA H 33 3.887 3.887 4.033 -0.146 17832 4809 1 13 . 1 1 36 36 GLU C C 33 176.760 176.760 178.747 -1.987 17832 4810 1 13 . 1 1 36 36 GLU CA C 33 57.241 57.241 58.237 -0.996 17832 4811 1 13 . 1 1 36 36 GLU CB C 33 26.806 26.806 29.909 -3.103 17832 4812 1 13 . 1 1 36 36 GLU H H 33 7.971 7.971 7.621 0.350 17832 4813 1 13 . 1 1 37 37 LEU N N 34 120.144 120.144 121.279 -1.135 17832 4814 1 13 . 1 1 37 37 LEU HA H 34 4.280 4.280 4.010 0.270 17832 4815 1 13 . 1 1 37 37 LEU C C 34 174.327 174.327 178.693 -4.366 17832 4816 1 13 . 1 1 37 37 LEU CA C 34 55.502 55.502 57.842 -2.340 17832 4817 1 13 . 1 1 37 37 LEU CB C 34 39.354 39.354 42.111 -2.757 17832 4818 1 13 . 1 1 37 37 LEU H H 34 8.278 8.278 7.593 0.684 17832 4819 1 13 . 1 1 38 38 TYR N N 35 119.703 119.703 117.379 2.324 17832 4820 1 13 . 1 1 38 38 TYR HA H 35 4.070 4.070 4.112 -0.042 17832 4821 1 13 . 1 1 38 38 TYR C C 35 173.298 173.298 177.554 -4.256 17832 4822 1 13 . 1 1 38 38 TYR CA C 35 59.098 59.098 60.371 -1.273 17832 4823 1 13 . 1 1 38 38 TYR CB C 35 36.534 36.534 37.322 -0.788 17832 4824 1 13 . 1 1 38 38 TYR H H 35 8.417 8.417 8.308 0.109 17832 4825 1 13 . 1 1 39 39 LYS N N 36 115.392 115.392 119.447 -4.055 17832 4826 1 13 . 1 1 39 39 LYS HA H 36 3.621 3.621 3.688 -0.067 17832 4827 1 13 . 1 1 39 39 LYS C C 36 176.456 176.456 178.642 -2.186 17832 4828 1 13 . 1 1 39 39 LYS CA C 36 57.011 57.011 58.767 -1.756 17832 4829 1 13 . 1 1 39 39 LYS CB C 36 29.694 29.694 31.921 -2.227 17832 4830 1 13 . 1 1 39 39 LYS H H 36 8.441 8.441 6.894 1.547 17832 4831 1 13 . 1 1 40 40 TYR N N 37 120.325 120.325 120.198 0.127 17832 4832 1 13 . 1 1 40 40 TYR HA H 37 4.078 4.078 4.221 -0.143 17832 4833 1 13 . 1 1 40 40 TYR C C 37 175.043 175.043 177.814 -2.771 17832 4834 1 13 . 1 1 40 40 TYR CA C 37 58.971 58.971 61.005 -2.034 17832 4835 1 13 . 1 1 40 40 TYR CB C 37 35.875 35.875 38.557 -2.682 17832 4836 1 13 . 1 1 40 40 TYR H H 37 8.344 8.344 7.544 0.800 17832 4837 1 13 . 1 1 41 41 ALA N N 38 121.802 121.802 122.090 -0.288 17832 4838 1 13 . 1 1 41 41 ALA HA H 38 3.746 3.746 4.024 -0.278 17832 4839 1 13 . 1 1 41 41 ALA C C 38 175.962 175.962 179.130 -3.168 17832 4840 1 13 . 1 1 41 41 ALA CA C 38 51.780 51.780 54.601 -2.821 17832 4841 1 13 . 1 1 41 41 ALA CB C 38 17.381 17.381 18.357 -0.976 17832 4842 1 13 . 1 1 41 41 ALA H H 38 8.291 8.291 8.039 0.252 17832 4843 1 13 . 1 1 42 42 LEU N N 39 116.563 116.563 117.343 -0.780 17832 4844 1 13 . 1 1 42 42 LEU HA H 39 3.820 3.820 3.914 -0.094 17832 4845 1 13 . 1 1 42 42 LEU C C 39 176.020 176.020 179.456 -3.436 17832 4846 1 13 . 1 1 42 42 LEU CA C 39 54.011 54.011 57.386 -3.375 17832 4847 1 13 . 1 1 42 42 LEU CB C 39 39.796 39.796 41.486 -1.690 17832 4848 1 13 . 1 1 42 42 LEU H H 39 7.865 7.865 7.661 0.204 17832 4849 1 13 . 1 1 43 43 ASN N N 40 115.561 115.561 117.410 -1.849 17832 4850 1 13 . 1 1 43 43 ASN HA H 40 4.436 4.436 4.453 -0.017 17832 4851 1 13 . 1 1 43 43 ASN C C 40 173.390 173.390 177.144 -3.754 17832 4852 1 13 . 1 1 43 43 ASN CA C 40 51.492 51.492 56.080 -4.588 17832 4853 1 13 . 1 1 43 43 ASN CB C 40 36.401 36.401 38.243 -1.842 17832 4854 1 13 . 1 1 43 43 ASN H H 40 7.467 7.467 7.995 -0.528 17832 4855 1 13 . 1 1 44 44 GLU N N 41 120.609 120.609 118.828 1.781 17832 4856 1 13 . 1 1 44 44 GLU HA H 41 3.986 3.986 3.887 0.099 17832 4857 1 13 . 1 1 44 44 GLU C C 41 174.161 174.161 176.664 -2.503 17832 4858 1 13 . 1 1 44 44 GLU CA C 41 54.775 54.775 58.308 -3.533 17832 4859 1 13 . 1 1 44 44 GLU CB C 41 27.094 27.094 29.358 -2.264 17832 4860 1 13 . 1 1 44 44 GLU H H 41 7.817 7.817 7.509 0.308 17832 4861 1 13 . 1 1 45 45 ASN N N 42 118.453 118.453 116.390 2.063 17832 4862 1 13 . 1 1 45 45 ASN HA H 42 4.618 4.618 4.527 0.091 17832 4863 1 13 . 1 1 45 45 ASN C C 42 172.912 172.912 176.148 -3.236 17832 4864 1 13 . 1 1 45 45 ASN CA C 42 50.988 50.988 54.899 -3.911 17832 4865 1 13 . 1 1 45 45 ASN CB C 42 36.267 36.267 39.230 -2.963 17832 4866 1 13 . 1 1 45 45 ASN H H 42 8.087 8.087 7.496 0.591 17832 4867 1 13 . 1 1 46 46 SER N N 43 115.581 115.581 115.292 0.289 17832 4868 1 13 . 1 1 46 46 SER HA H 43 4.292 4.292 4.524 -0.232 17832 4869 1 13 . 1 1 46 46 SER C C 43 172.136 172.136 173.332 -1.196 17832 4870 1 13 . 1 1 46 46 SER CA C 43 56.202 56.202 58.224 -2.022 17832 4871 1 13 . 1 1 46 46 SER CB C 43 60.909 60.909 64.482 -3.573 17832 4872 1 13 . 1 1 46 46 SER H H 43 8.062 8.062 7.622 0.440 17832 4873 1 13 . 1 1 47 47 ASN N N 44 120.517 120.517 117.582 2.935 17832 4874 1 13 . 1 1 47 47 ASN HA H 44 4.617 4.617 4.424 0.193 17832 4875 1 13 . 1 1 47 47 ASN C C 44 172.545 172.545 173.439 -0.894 17832 4876 1 13 . 1 1 47 47 ASN CA C 44 51.174 51.174 53.778 -2.603 17832 4877 1 13 . 1 1 47 47 ASN CB C 44 36.208 36.208 38.577 -2.369 17832 4878 1 13 . 1 1 47 47 ASN H H 44 8.329 8.329 8.458 -0.129 17832 4879 1 13 . 1 1 48 48 ASP N N 45 120.294 120.294 122.022 -1.728 17832 4880 1 13 . 1 1 48 48 ASP HA H 45 4.500 4.500 4.896 -0.396 17832 4881 1 13 . 1 1 48 48 ASP C C 45 173.835 173.835 175.888 -2.053 17832 4882 1 13 . 1 1 48 48 ASP CA C 45 52.030 52.030 53.746 -1.716 17832 4883 1 13 . 1 1 48 48 ASP CB C 45 38.326 38.326 42.014 -3.688 17832 4884 1 13 . 1 1 48 48 ASP H H 45 8.220 8.220 8.573 -0.353 17832 4885 1 13 . 1 1 49 49 ARG N N 46 121.139 121.139 123.431 -2.292 17832 4886 1 13 . 1 1 49 49 ARG HA H 46 4.274 4.274 4.520 -0.246 17832 4887 1 13 . 1 1 49 49 ARG C C 46 174.032 174.032 176.411 -2.379 17832 4888 1 13 . 1 1 49 49 ARG CA C 46 53.425 53.425 56.833 -3.408 17832 4889 1 13 . 1 1 49 49 ARG CB C 46 27.615 27.615 31.511 -3.896 17832 4890 1 13 . 1 1 49 49 ARG H H 46 8.180 8.180 8.637 -0.457 17832 4891 1 13 . 1 1 50 50 SER N N 47 116.289 116.289 115.796 0.493 17832 4892 1 13 . 1 1 50 50 SER HA H 47 4.269 4.269 4.595 -0.326 17832 4893 1 13 . 1 1 50 50 SER C C 47 172.337 172.337 173.751 -1.414 17832 4894 1 13 . 1 1 50 50 SER CA C 47 56.379 56.379 58.152 -1.773 17832 4895 1 13 . 1 1 50 50 SER CB C 47 60.970 60.970 62.661 -1.691 17832 4896 1 13 . 1 1 50 50 SER H H 47 8.236 8.236 8.486 -0.250 17832 4897 1 13 . 1 1 51 51 GLU N N 48 122.019 122.019 120.880 1.139 17832 4898 1 13 . 1 1 51 51 GLU HA H 48 4.134 4.134 4.491 -0.357 17832 4899 1 13 . 1 1 51 51 GLU C C 48 174.002 174.002 175.280 -1.278 17832 4900 1 13 . 1 1 51 51 GLU CA C 48 54.285 54.285 56.435 -2.150 17832 4901 1 13 . 1 1 51 51 GLU CB C 48 27.192 27.192 29.616 -2.424 17832 4902 1 13 . 1 1 51 51 GLU H H 48 8.423 8.423 8.316 0.107 17832 4903 1 13 . 1 1 52 52 HIS N N 49 119.075 119.075 119.954 -0.879 17832 4904 1 13 . 1 1 52 52 HIS HA H 49 4.486 4.486 4.865 -0.379 17832 4905 1 13 . 1 1 52 52 HIS C C 49 172.663 172.663 174.619 -1.956 17832 4906 1 13 . 1 1 52 52 HIS CA C 49 53.775 53.775 55.882 -2.107 17832 4907 1 13 . 1 1 52 52 HIS CB C 49 27.714 27.714 30.460 -2.747 17832 4908 1 13 . 1 1 52 52 HIS H H 49 8.117 8.117 8.298 -0.181 17832 4909 1 13 . 1 1 53 53 HIS N N 50 119.483 119.483 116.718 2.765 17832 4910 1 13 . 1 1 53 53 HIS HA H 50 4.538 4.538 4.204 0.334 17832 4911 1 13 . 1 1 53 53 HIS C C 50 172.355 172.355 175.256 -2.901 17832 4912 1 13 . 1 1 53 53 HIS CA C 50 53.433 53.433 56.779 -3.346 17832 4913 1 13 . 1 1 53 53 HIS CB C 50 27.694 27.694 29.670 -1.976 17832 4914 1 13 . 1 1 53 53 HIS H H 50 8.068 8.068 7.834 0.234 17832 4915 1 13 . 1 1 54 54 LYS N N 51 122.136 122.136 118.747 3.389 17832 4916 1 13 . 1 1 54 54 LYS HA H 51 4.215 4.215 3.971 0.244 17832 4917 1 13 . 1 1 54 54 LYS C C 51 173.474 173.474 175.153 -1.679 17832 4918 1 13 . 1 1 54 54 LYS CA C 51 53.445 53.445 56.665 -3.220 17832 4919 1 13 . 1 1 54 54 LYS CB C 51 30.329 30.329 32.648 -2.319 17832 4920 1 13 . 1 1 54 54 LYS H H 51 8.121 8.121 8.495 -0.374 17832 4921 1 13 . 1 1 55 55 LYS N N 52 124.022 124.022 119.226 4.796 17832 4922 1 13 . 1 1 55 55 LYS HA H 52 4.508 4.508 4.224 0.284 17832 4923 1 13 . 1 1 55 55 LYS C C 52 171.685 171.685 174.980 -3.295 17832 4924 1 13 . 1 1 55 55 LYS CA C 52 51.516 51.516 56.500 -4.984 17832 4925 1 13 . 1 1 55 55 LYS CB C 52 29.818 29.818 31.712 -1.894 17832 4926 1 13 . 1 1 55 55 LYS H H 52 8.262 8.262 8.349 -0.087 17832 4927 1 13 . 1 1 56 56 PRO HA H 53 4.340 4.340 4.557 -0.217 17832 4928 1 13 . 1 1 56 56 PRO C C 53 173.830 173.830 176.061 -2.231 17832 4929 1 13 . 1 1 56 56 PRO CA C 53 60.496 60.496 62.961 -2.465 17832 4930 1 13 . 1 1 56 56 PRO CB C 53 29.444 29.444 32.300 -2.856 17832 4931 1 13 . 1 1 57 57 ARG N N 54 121.870 121.870 119.655 2.215 17832 4932 1 13 . 1 1 57 57 ARG HA H 54 4.279 4.279 4.456 -0.177 17832 4933 1 13 . 1 1 57 57 ARG C C 54 173.560 173.560 174.186 -0.626 17832 4934 1 13 . 1 1 57 57 ARG CA C 54 53.172 53.172 55.435 -2.263 17832 4935 1 13 . 1 1 57 57 ARG CB C 54 28.273 28.273 32.075 -3.802 17832 4936 1 13 . 1 1 57 57 ARG H H 54 8.396 8.396 7.644 0.752 17832 4937 1 13 . 1 1 58 58 ILE N N 55 122.683 122.683 122.714 -0.031 17832 4938 1 13 . 1 1 58 58 ILE HA H 55 4.117 4.117 4.338 -0.221 17832 4939 1 13 . 1 1 58 58 ILE C C 55 173.034 173.034 175.776 -2.742 17832 4940 1 13 . 1 1 58 58 ILE CA C 55 58.378 58.378 60.959 -2.581 17832 4941 1 13 . 1 1 58 58 ILE CB C 55 36.113 36.113 38.775 -2.662 17832 4942 1 13 . 1 1 58 58 ILE H H 55 8.258 8.258 8.438 -0.180 17832 4943 1 13 . 1 1 59 59 ASP N N 56 123.975 123.975 125.944 -1.969 17832 4944 1 13 . 1 1 59 59 ASP HA H 56 4.581 4.581 4.683 -0.102 17832 4945 1 13 . 1 1 59 59 ASP C C 56 172.780 172.780 175.249 -2.469 17832 4946 1 13 . 1 1 59 59 ASP CA C 56 51.525 51.525 53.426 -1.901 17832 4947 1 13 . 1 1 59 59 ASP CB C 56 38.460 38.460 41.739 -3.279 17832 4948 1 13 . 1 1 59 59 ASP H H 56 8.364 8.364 8.451 -0.087 17832 4949 1 13 . 1 1 60 60 ASP N N 57 121.471 121.471 119.816 1.655 17832 4950 1 13 . 1 1 60 60 ASP HA H 57 4.563 4.563 4.869 -0.306 17832 4951 1 13 . 1 1 60 60 ASP C C 57 173.851 173.851 175.186 -1.335 17832 4952 1 13 . 1 1 60 60 ASP CA C 57 51.586 51.586 53.913 -2.327 17832 4953 1 13 . 1 1 60 60 ASP CB C 57 38.468 38.468 42.575 -4.107 17832 4954 1 13 . 1 1 60 60 ASP H H 57 8.393 8.393 8.526 -0.133 17832 4955 1 13 . 1 1 61 61 SER N N 58 116.207 116.207 117.178 -0.971 17832 4956 1 13 . 1 1 61 61 SER C C 58 172.389 172.389 174.696 -2.307 17832 4957 1 13 . 1 1 61 61 SER CA C 58 56.129 56.129 58.580 -2.451 17832 4958 1 13 . 1 1 61 61 SER CB C 58 60.945 60.945 63.652 -2.707 17832 4959 1 13 . 1 1 61 61 SER H H 58 8.331 8.331 8.308 0.023 17832 4960 1 13 . 1 1 62 62 SER N N 59 117.805 117.805 116.331 1.474 17832 4961 1 13 . 1 1 62 62 SER C C 59 171.778 171.778 174.067 -2.289 17832 4962 1 13 . 1 1 62 62 SER CA C 59 56.290 56.290 59.448 -3.158 17832 4963 1 13 . 1 1 62 62 SER CB C 59 60.930 60.930 63.409 -2.479 17832 4964 1 13 . 1 1 62 62 SER H H 59 8.334 8.334 8.434 -0.100 17832 4965 1 13 . 1 1 63 63 ASP N N 60 122.124 122.124 119.187 2.937 17832 4966 1 13 . 1 1 63 63 ASP HA H 60 4.512 4.512 4.412 0.100 17832 4967 1 13 . 1 1 63 63 ASP C C 60 173.550 173.550 175.975 -2.425 17832 4968 1 13 . 1 1 63 63 ASP CA C 60 51.916 51.916 55.284 -3.368 17832 4969 1 13 . 1 1 63 63 ASP CB C 60 38.264 38.264 40.492 -2.228 17832 4970 1 13 . 1 1 63 63 ASP H H 60 8.278 8.278 7.800 0.478 17832 4971 1 13 . 1 1 64 64 LEU N N 61 121.450 121.450 121.452 -0.002 17832 4972 1 13 . 1 1 64 64 LEU HA H 61 4.223 4.223 4.424 -0.201 17832 4973 1 13 . 1 1 64 64 LEU C C 61 174.603 174.603 176.142 -1.539 17832 4974 1 13 . 1 1 64 64 LEU CA C 61 52.640 52.640 54.677 -2.037 17832 4975 1 13 . 1 1 64 64 LEU CB C 61 39.502 39.502 42.483 -2.981 17832 4976 1 13 . 1 1 64 64 LEU H H 61 7.931 7.931 8.265 -0.334 17832 4977 1 13 . 1 1 65 65 LEU N N 62 122.042 122.042 122.598 -0.556 17832 4978 1 13 . 1 1 65 65 LEU HA H 62 4.273 4.273 4.604 -0.331 17832 4979 1 13 . 1 1 65 65 LEU C C 62 174.372 174.372 175.640 -1.268 17832 4980 1 13 . 1 1 65 65 LEU CA C 62 52.339 52.339 54.333 -1.994 17832 4981 1 13 . 1 1 65 65 LEU CB C 62 39.426 39.426 42.266 -2.840 17832 4982 1 13 . 1 1 65 65 LEU H H 62 8.023 8.023 7.658 0.365 17832 4983 1 13 . 1 1 66 66 LYS N N 63 122.782 122.782 125.738 -2.956 17832 4984 1 13 . 1 1 66 66 LYS HA H 63 4.349 4.349 4.447 -0.098 17832 4985 1 13 . 1 1 66 66 LYS C C 63 173.936 173.936 176.153 -2.217 17832 4986 1 13 . 1 1 66 66 LYS CA C 63 53.305 53.305 56.155 -2.850 17832 4987 1 13 . 1 1 66 66 LYS CB C 63 30.305 30.305 31.463 -1.158 17832 4988 1 13 . 1 1 66 66 LYS H H 63 8.145 8.145 8.510 -0.365 17832 4989 1 13 . 1 1 67 67 THR N N 64 115.478 115.478 118.696 -3.218 17832 4990 1 13 . 1 1 67 67 THR HA H 64 4.298 4.298 4.498 -0.200 17832 4991 1 13 . 1 1 67 67 THR C C 64 171.473 171.473 173.827 -2.354 17832 4992 1 13 . 1 1 67 67 THR CA C 64 58.943 58.943 61.772 -2.829 17832 4993 1 13 . 1 1 67 67 THR CB C 64 67.038 67.038 70.767 -3.729 17832 4994 1 13 . 1 1 67 67 THR H H 64 8.196 8.196 7.802 0.394 17832 4995 1 13 . 1 1 68 68 ASP N N 65 122.013 122.013 125.761 -3.748 17832 4996 1 13 . 1 1 68 68 ASP C C 65 173.191 173.191 175.475 -2.284 17832 4997 1 13 . 1 1 68 68 ASP CA C 65 51.628 51.628 54.803 -3.175 17832 4998 1 13 . 1 1 68 68 ASP CB C 65 38.495 38.495 41.333 -2.838 17832 4999 1 13 . 1 1 68 68 ASP H H 65 8.307 8.307 8.671 -0.364 17832 5000 1 13 . 1 1 69 69 GLU N N 66 121.260 121.260 123.456 -2.196 17832 5001 1 13 . 1 1 69 69 GLU HA H 66 4.235 4.235 4.277 -0.043 17832 5002 1 13 . 1 1 69 69 GLU C C 66 172.706 172.706 176.024 -3.318 17832 5003 1 13 . 1 1 69 69 GLU CA C 66 53.881 53.881 56.848 -2.967 17832 5004 1 13 . 1 1 69 69 GLU CB C 66 27.731 27.731 30.434 -2.703 17832 5005 1 13 . 1 1 69 69 GLU H H 66 8.216 8.216 8.790 -0.574 17832 5006 1 14 . 1 1 3 3 MET C C 0 173.346 173.346 175.258 -1.912 17832 5007 1 14 . 1 1 3 3 MET CA C 0 52.930 52.930 55.905 -2.975 17832 5008 1 14 . 1 1 3 3 MET CB C 0 29.966 29.966 33.394 -3.428 17832 5009 1 14 . 1 1 4 4 MET N N 1 121.822 121.822 122.767 -0.945 17832 5010 1 14 . 1 1 4 4 MET HA H 1 4.378 4.378 4.757 -0.379 17832 5011 1 14 . 1 1 4 4 MET C C 1 173.585 173.585 174.828 -1.243 17832 5012 1 14 . 1 1 4 4 MET CA C 1 52.943 52.943 54.781 -1.838 17832 5013 1 14 . 1 1 4 4 MET CB C 1 30.112 30.112 35.143 -5.031 17832 5014 1 14 . 1 1 4 4 MET H H 1 8.553 8.553 8.212 0.341 17832 5015 1 14 . 1 1 5 5 SER N N 2 117.291 117.291 117.976 -0.685 17832 5016 1 14 . 1 1 5 5 SER HA H 2 4.402 4.402 4.600 -0.198 17832 5017 1 14 . 1 1 5 5 SER C C 2 171.427 171.427 174.191 -2.764 17832 5018 1 14 . 1 1 5 5 SER CA C 2 55.920 55.920 57.614 -1.694 17832 5019 1 14 . 1 1 5 5 SER CB C 2 61.033 61.033 63.045 -2.012 17832 5020 1 14 . 1 1 5 5 SER H H 2 8.337 8.337 8.457 -0.120 17832 5021 1 14 . 1 1 6 6 LYS N N 3 121.932 121.932 122.462 -0.530 17832 5022 1 14 . 1 1 6 6 LYS HA H 3 4.282 4.282 3.890 0.392 17832 5023 1 14 . 1 1 6 6 LYS C C 3 173.822 173.822 174.690 -0.868 17832 5024 1 14 . 1 1 6 6 LYS CA C 3 53.556 53.556 56.932 -3.376 17832 5025 1 14 . 1 1 6 6 LYS CB C 3 30.569 30.569 32.731 -2.162 17832 5026 1 14 . 1 1 6 6 LYS H H 3 8.216 8.216 8.601 -0.385 17832 5027 1 14 . 1 1 7 7 LEU N N 4 123.131 123.131 118.630 4.501 17832 5028 1 14 . 1 1 7 7 LEU HA H 4 4.310 4.310 4.396 -0.086 17832 5029 1 14 . 1 1 7 7 LEU C C 4 176.226 176.226 176.962 -0.736 17832 5030 1 14 . 1 1 7 7 LEU CA C 4 52.753 52.753 55.502 -2.749 17832 5031 1 14 . 1 1 7 7 LEU CB C 4 39.626 39.626 42.579 -2.953 17832 5032 1 14 . 1 1 7 7 LEU H H 4 8.301 8.301 7.628 0.673 17832 5033 1 14 . 1 1 8 8 PHE N N 5 122.547 122.547 116.561 5.986 17832 5034 1 14 . 1 1 8 8 PHE HA H 5 4.313 4.313 4.544 -0.231 17832 5035 1 14 . 1 1 8 8 PHE CA C 5 56.963 56.963 59.393 -2.430 17832 5036 1 14 . 1 1 8 8 PHE CB C 5 35.205 35.205 37.387 -2.182 17832 5037 1 14 . 1 1 8 8 PHE H H 5 8.764 8.764 7.349 1.415 17832 5038 1 14 . 1 1 9 9 LEU HA H 6 3.079 3.079 4.294 -1.215 17832 5039 1 14 . 1 1 9 9 LEU C C 6 175.830 175.830 178.645 -2.815 17832 5040 1 14 . 1 1 9 9 LEU CA C 6 54.075 54.075 57.244 -3.169 17832 5041 1 14 . 1 1 9 9 LEU CB C 6 38.429 38.429 41.720 -3.291 17832 5042 1 14 . 1 1 10 10 ASP N N 7 116.164 116.164 118.567 -2.403 17832 5043 1 14 . 1 1 10 10 ASP HA H 7 4.294 4.294 4.347 -0.053 17832 5044 1 14 . 1 1 10 10 ASP C C 7 174.240 174.240 177.318 -3.078 17832 5045 1 14 . 1 1 10 10 ASP CA C 7 53.201 53.201 57.070 -3.869 17832 5046 1 14 . 1 1 10 10 ASP CB C 7 37.826 37.826 41.144 -3.318 17832 5047 1 14 . 1 1 10 10 ASP H H 7 7.488 7.488 7.720 -0.232 17832 5048 1 14 . 1 1 11 11 GLU N N 8 116.711 116.711 116.683 0.028 17832 5049 1 14 . 1 1 11 11 GLU HA H 8 4.296 4.296 4.181 0.115 17832 5050 1 14 . 1 1 11 11 GLU C C 8 173.322 173.322 177.482 -4.160 17832 5051 1 14 . 1 1 11 11 GLU CA C 8 53.231 53.231 57.392 -4.161 17832 5052 1 14 . 1 1 11 11 GLU CB C 8 27.333 27.333 29.582 -2.249 17832 5053 1 14 . 1 1 11 11 GLU H H 8 7.496 7.496 8.035 -0.539 17832 5054 1 14 . 1 1 12 12 LEU N N 9 117.751 117.751 121.952 -4.201 17832 5055 1 14 . 1 1 12 12 LEU HA H 9 4.313 4.313 4.471 -0.158 17832 5056 1 14 . 1 1 12 12 LEU C C 9 171.541 171.541 175.883 -4.342 17832 5057 1 14 . 1 1 12 12 LEU CA C 9 49.264 49.264 52.995 -3.731 17832 5058 1 14 . 1 1 12 12 LEU CB C 9 38.581 38.581 41.846 -3.265 17832 5059 1 14 . 1 1 12 12 LEU H H 9 6.803 6.803 7.303 -0.500 17832 5060 1 14 . 1 1 13 13 PRO HA H 10 4.311 4.311 4.424 -0.113 17832 5061 1 14 . 1 1 13 13 PRO C C 10 174.746 174.746 176.539 -1.793 17832 5062 1 14 . 1 1 13 13 PRO CA C 10 60.083 60.083 62.710 -2.627 17832 5063 1 14 . 1 1 13 13 PRO CB C 10 29.131 29.131 32.511 -3.380 17832 5064 1 14 . 1 1 14 14 GLU N N 11 125.693 125.693 117.146 8.547 17832 5065 1 14 . 1 1 14 14 GLU HA H 11 3.854 3.854 4.259 -0.405 17832 5066 1 14 . 1 1 14 14 GLU C C 11 175.180 175.180 178.509 -3.329 17832 5067 1 14 . 1 1 14 14 GLU CA C 11 57.035 57.035 58.817 -1.782 17832 5068 1 14 . 1 1 14 14 GLU CB C 11 26.761 26.761 29.860 -3.099 17832 5069 1 14 . 1 1 14 14 GLU H H 11 8.777 8.777 8.536 0.241 17832 5070 1 14 . 1 1 15 15 SER N N 12 111.734 111.734 115.977 -4.243 17832 5071 1 14 . 1 1 15 15 SER HA H 12 3.884 3.884 4.268 -0.384 17832 5072 1 14 . 1 1 15 15 SER C C 12 173.687 173.687 176.773 -3.086 17832 5073 1 14 . 1 1 15 15 SER CA C 12 58.230 58.230 60.958 -2.728 17832 5074 1 14 . 1 1 15 15 SER CB C 12 58.977 58.977 62.859 -3.882 17832 5075 1 14 . 1 1 15 15 SER H H 12 8.563 8.563 8.237 0.326 17832 5076 1 14 . 1 1 16 16 LEU N N 13 122.925 122.925 120.591 2.334 17832 5077 1 14 . 1 1 16 16 LEU HA H 13 4.081 4.081 4.159 -0.078 17832 5078 1 14 . 1 1 16 16 LEU C C 13 175.385 175.385 178.509 -3.124 17832 5079 1 14 . 1 1 16 16 LEU CA C 13 54.057 54.057 57.397 -3.340 17832 5080 1 14 . 1 1 16 16 LEU CB C 13 39.498 39.498 41.938 -2.439 17832 5081 1 14 . 1 1 16 16 LEU H H 13 6.828 6.828 8.119 -1.291 17832 5082 1 14 . 1 1 17 17 SER N N 14 114.839 114.839 114.166 0.673 17832 5083 1 14 . 1 1 17 17 SER HA H 14 3.585 3.585 4.102 -0.517 17832 5084 1 14 . 1 1 17 17 SER C C 14 175.435 175.435 176.918 -1.483 17832 5085 1 14 . 1 1 17 17 SER CA C 14 58.835 58.835 61.611 -2.776 17832 5086 1 14 . 1 1 17 17 SER CB C 14 59.345 59.345 62.788 -3.443 17832 5087 1 14 . 1 1 17 17 SER H H 14 8.266 8.266 7.970 0.296 17832 5088 1 14 . 1 1 18 18 ARG N N 15 121.474 121.474 120.265 1.209 17832 5089 1 14 . 1 1 18 18 ARG HA H 15 3.897 3.897 4.102 -0.205 17832 5090 1 14 . 1 1 18 18 ARG C C 15 176.749 176.749 178.102 -1.353 17832 5091 1 14 . 1 1 18 18 ARG CA C 15 56.827 56.827 59.509 -2.682 17832 5092 1 14 . 1 1 18 18 ARG CB C 15 27.154 27.154 30.359 -3.205 17832 5093 1 14 . 1 1 18 18 ARG H H 15 8.385 8.385 7.799 0.586 17832 5094 1 14 . 1 1 19 19 LYS N N 16 119.494 119.494 119.486 0.008 17832 5095 1 14 . 1 1 19 19 LYS HA H 16 3.947 3.947 4.159 -0.212 17832 5096 1 14 . 1 1 19 19 LYS C C 16 177.319 177.319 178.819 -1.500 17832 5097 1 14 . 1 1 19 19 LYS CA C 16 57.412 57.412 58.811 -1.399 17832 5098 1 14 . 1 1 19 19 LYS CB C 16 30.432 30.432 31.985 -1.553 17832 5099 1 14 . 1 1 19 19 LYS H H 16 7.269 7.269 7.528 -0.259 17832 5100 1 14 . 1 1 20 20 ILE N N 17 120.972 120.972 119.647 1.325 17832 5101 1 14 . 1 1 20 20 ILE HA H 17 2.813 2.813 3.915 -1.102 17832 5102 1 14 . 1 1 20 20 ILE C C 17 175.324 175.324 177.987 -2.663 17832 5103 1 14 . 1 1 20 20 ILE CA C 17 63.012 63.012 64.415 -1.403 17832 5104 1 14 . 1 1 20 20 ILE CB C 17 34.710 34.710 37.706 -2.995 17832 5105 1 14 . 1 1 20 20 ILE H H 17 7.993 7.993 7.936 0.057 17832 5106 1 14 . 1 1 21 21 GLY N N 18 106.894 106.894 107.402 -0.508 17832 5107 1 14 . 1 1 21 21 GLY C C 18 173.161 173.161 175.659 -2.498 17832 5108 1 14 . 1 1 21 21 GLY CA C 18 44.450 44.450 47.225 -2.775 17832 5109 1 14 . 1 1 21 21 GLY H H 18 8.259 8.259 7.983 0.276 17832 5110 1 14 . 1 1 22 22 THR N N 19 113.696 113.696 115.661 -1.965 17832 5111 1 14 . 1 1 22 22 THR HA H 19 3.946 3.946 4.224 -0.278 17832 5112 1 14 . 1 1 22 22 THR C C 19 173.081 173.081 176.046 -2.965 17832 5113 1 14 . 1 1 22 22 THR CA C 19 62.984 62.984 64.669 -1.685 17832 5114 1 14 . 1 1 22 22 THR CB C 19 66.403 66.403 68.931 -2.528 17832 5115 1 14 . 1 1 22 22 THR H H 19 7.502 7.502 7.395 0.107 17832 5116 1 14 . 1 1 23 23 VAL N N 20 123.120 123.120 121.265 1.855 17832 5117 1 14 . 1 1 23 23 VAL HA H 20 3.649 3.649 3.974 -0.325 17832 5118 1 14 . 1 1 23 23 VAL C C 20 174.858 174.858 177.412 -2.554 17832 5119 1 14 . 1 1 23 23 VAL CA C 20 62.761 62.761 65.045 -2.284 17832 5120 1 14 . 1 1 23 23 VAL CB C 20 29.222 29.222 31.880 -2.658 17832 5121 1 14 . 1 1 23 23 VAL H H 20 7.168 7.168 7.420 -0.252 17832 5122 1 14 . 1 1 24 24 VAL N N 21 119.729 119.729 119.567 0.162 17832 5123 1 14 . 1 1 24 24 VAL HA H 21 3.541 3.541 3.801 -0.260 17832 5124 1 14 . 1 1 24 24 VAL C C 21 174.410 174.410 177.079 -2.669 17832 5125 1 14 . 1 1 24 24 VAL CA C 21 61.966 61.966 65.650 -3.684 17832 5126 1 14 . 1 1 24 24 VAL CB C 21 29.360 29.360 31.395 -2.035 17832 5127 1 14 . 1 1 24 24 VAL H H 21 8.129 8.129 8.266 -0.137 17832 5128 1 14 . 1 1 25 25 ARG N N 22 116.239 116.239 119.106 -2.867 17832 5129 1 14 . 1 1 25 25 ARG HA H 22 3.952 3.952 4.080 -0.128 17832 5130 1 14 . 1 1 25 25 ARG C C 22 174.899 174.899 177.502 -2.603 17832 5131 1 14 . 1 1 25 25 ARG CA C 22 56.097 56.097 58.974 -2.877 17832 5132 1 14 . 1 1 25 25 ARG CB C 22 27.473 27.473 30.319 -2.846 17832 5133 1 14 . 1 1 25 25 ARG H H 22 7.633 7.633 7.618 0.015 17832 5134 1 14 . 1 1 26 26 VAL N N 23 115.006 115.006 117.568 -2.562 17832 5135 1 14 . 1 1 26 26 VAL HA H 23 3.995 3.995 3.980 0.015 17832 5136 1 14 . 1 1 26 26 VAL C C 23 173.187 173.187 176.884 -3.697 17832 5137 1 14 . 1 1 26 26 VAL CA C 23 61.107 61.107 64.440 -3.333 17832 5138 1 14 . 1 1 26 26 VAL CB C 23 29.977 29.977 32.557 -2.580 17832 5139 1 14 . 1 1 26 26 VAL H H 23 6.886 6.886 7.547 -0.661 17832 5140 1 14 . 1 1 27 27 LEU N N 24 120.940 120.940 120.488 0.452 17832 5141 1 14 . 1 1 27 27 LEU HA H 24 4.930 4.930 4.894 0.036 17832 5142 1 14 . 1 1 27 27 LEU C C 24 171.363 171.363 175.307 -3.944 17832 5143 1 14 . 1 1 27 27 LEU CA C 24 48.752 48.752 51.912 -3.160 17832 5144 1 14 . 1 1 27 27 LEU CB C 24 40.669 40.669 41.504 -0.835 17832 5145 1 14 . 1 1 27 27 LEU H H 24 8.338 8.338 7.386 0.952 17832 5146 1 14 . 1 1 28 28 PRO HA H 25 4.767 4.767 4.587 0.180 17832 5147 1 14 . 1 1 28 28 PRO C C 25 176.742 176.742 178.155 -1.413 17832 5148 1 14 . 1 1 28 28 PRO CA C 25 63.453 63.453 64.905 -1.452 17832 5149 1 14 . 1 1 28 28 PRO CB C 25 29.004 29.004 31.967 -2.963 17832 5150 1 14 . 1 1 29 29 SER N N 26 111.726 111.726 113.948 -2.222 17832 5151 1 14 . 1 1 29 29 SER HA H 26 4.422 4.422 4.380 0.042 17832 5152 1 14 . 1 1 29 29 SER C C 26 172.811 172.811 175.906 -3.095 17832 5153 1 14 . 1 1 29 29 SER CA C 26 57.331 57.331 60.079 -2.748 17832 5154 1 14 . 1 1 29 29 SER CB C 26 59.552 59.552 62.976 -3.424 17832 5155 1 14 . 1 1 29 29 SER H H 26 8.279 8.279 8.522 -0.243 17832 5156 1 14 . 1 1 30 30 SER N N 27 116.503 116.503 117.990 -1.487 17832 5157 1 14 . 1 1 30 30 SER HA H 27 4.103 4.103 4.221 -0.118 17832 5158 1 14 . 1 1 30 30 SER C C 27 174.324 174.324 176.684 -2.360 17832 5159 1 14 . 1 1 30 30 SER CA C 27 58.661 58.661 60.335 -1.674 17832 5160 1 14 . 1 1 30 30 SER CB C 27 61.593 61.593 63.017 -1.424 17832 5161 1 14 . 1 1 30 30 SER H H 27 8.642 8.642 7.992 0.650 17832 5162 1 14 . 1 1 31 31 LEU N N 28 126.322 126.322 123.138 3.184 17832 5163 1 14 . 1 1 31 31 LEU HA H 28 4.281 4.281 4.306 -0.025 17832 5164 1 14 . 1 1 31 31 LEU C C 28 175.385 175.385 177.680 -2.295 17832 5165 1 14 . 1 1 31 31 LEU CA C 28 56.992 56.992 58.420 -1.428 17832 5166 1 14 . 1 1 31 31 LEU CB C 28 38.241 38.241 41.732 -3.491 17832 5167 1 14 . 1 1 31 31 LEU H H 28 7.634 7.634 7.781 -0.147 17832 5168 1 14 . 1 1 32 32 GLU N N 29 114.812 114.812 118.328 -3.516 17832 5169 1 14 . 1 1 32 32 GLU HA H 29 4.230 4.230 4.199 0.031 17832 5170 1 14 . 1 1 32 32 GLU C C 29 175.711 175.711 178.912 -3.201 17832 5171 1 14 . 1 1 32 32 GLU CA C 29 56.205 56.205 59.233 -3.028 17832 5172 1 14 . 1 1 32 32 GLU CB C 29 26.903 26.903 29.270 -2.367 17832 5173 1 14 . 1 1 32 32 GLU H H 29 8.283 8.283 7.977 0.306 17832 5174 1 14 . 1 1 33 33 ILE N N 30 121.972 121.972 118.400 3.572 17832 5175 1 14 . 1 1 33 33 ILE HA H 30 3.773 3.773 3.719 0.054 17832 5176 1 14 . 1 1 33 33 ILE C C 30 175.177 175.177 177.876 -2.699 17832 5177 1 14 . 1 1 33 33 ILE CA C 30 62.116 62.116 62.967 -0.851 17832 5178 1 14 . 1 1 33 33 ILE CB C 30 35.018 35.018 36.747 -1.729 17832 5179 1 14 . 1 1 33 33 ILE H H 30 7.477 7.477 7.619 -0.142 17832 5180 1 14 . 1 1 34 34 PHE N N 31 117.727 117.727 118.528 -0.801 17832 5181 1 14 . 1 1 34 34 PHE HA H 31 4.208 4.208 4.322 -0.114 17832 5182 1 14 . 1 1 34 34 PHE C C 31 174.731 174.731 177.921 -3.190 17832 5183 1 14 . 1 1 34 34 PHE CA C 31 61.035 61.035 60.159 0.876 17832 5184 1 14 . 1 1 34 34 PHE CB C 31 36.224 36.224 37.998 -1.774 17832 5185 1 14 . 1 1 34 34 PHE H H 31 8.137 8.137 7.340 0.797 17832 5186 1 14 . 1 1 35 35 GLU N N 32 118.271 118.271 121.039 -2.768 17832 5187 1 14 . 1 1 35 35 GLU HA H 32 2.721 2.721 4.125 -1.404 17832 5188 1 14 . 1 1 35 35 GLU C C 32 174.785 174.785 178.769 -3.984 17832 5189 1 14 . 1 1 35 35 GLU CA C 32 57.304 57.304 60.378 -3.074 17832 5190 1 14 . 1 1 35 35 GLU CB C 32 26.997 26.997 29.385 -2.388 17832 5191 1 14 . 1 1 35 35 GLU H H 32 8.249 8.249 8.682 -0.433 17832 5192 1 14 . 1 1 36 36 GLU N N 33 119.678 119.678 118.908 0.770 17832 5193 1 14 . 1 1 36 36 GLU HA H 33 3.887 3.887 3.960 -0.073 17832 5194 1 14 . 1 1 36 36 GLU C C 33 176.760 176.760 179.007 -2.247 17832 5195 1 14 . 1 1 36 36 GLU CA C 33 57.241 57.241 58.570 -1.329 17832 5196 1 14 . 1 1 36 36 GLU CB C 33 26.806 26.806 29.569 -2.763 17832 5197 1 14 . 1 1 36 36 GLU H H 33 7.971 7.971 7.686 0.285 17832 5198 1 14 . 1 1 37 37 LEU N N 34 120.144 120.144 121.482 -1.338 17832 5199 1 14 . 1 1 37 37 LEU HA H 34 4.280 4.280 4.028 0.252 17832 5200 1 14 . 1 1 37 37 LEU C C 34 174.327 174.327 178.661 -4.334 17832 5201 1 14 . 1 1 37 37 LEU CA C 34 55.502 55.502 57.891 -2.389 17832 5202 1 14 . 1 1 37 37 LEU CB C 34 39.354 39.354 42.167 -2.813 17832 5203 1 14 . 1 1 37 37 LEU H H 34 8.278 8.278 7.422 0.856 17832 5204 1 14 . 1 1 38 38 TYR N N 35 119.703 119.703 117.009 2.694 17832 5205 1 14 . 1 1 38 38 TYR HA H 35 4.070 4.070 4.181 -0.111 17832 5206 1 14 . 1 1 38 38 TYR C C 35 173.298 173.298 177.542 -4.244 17832 5207 1 14 . 1 1 38 38 TYR CA C 35 59.098 59.098 59.491 -0.393 17832 5208 1 14 . 1 1 38 38 TYR CB C 35 36.534 36.534 37.446 -0.912 17832 5209 1 14 . 1 1 38 38 TYR H H 35 8.417 8.417 8.424 -0.007 17832 5210 1 14 . 1 1 39 39 LYS N N 36 115.392 115.392 119.260 -3.868 17832 5211 1 14 . 1 1 39 39 LYS HA H 36 3.621 3.621 3.762 -0.141 17832 5212 1 14 . 1 1 39 39 LYS C C 36 176.456 176.456 178.681 -2.225 17832 5213 1 14 . 1 1 39 39 LYS CA C 36 57.011 57.011 58.501 -1.490 17832 5214 1 14 . 1 1 39 39 LYS CB C 36 29.694 29.694 31.605 -1.911 17832 5215 1 14 . 1 1 39 39 LYS H H 36 8.441 8.441 6.988 1.453 17832 5216 1 14 . 1 1 40 40 TYR N N 37 120.325 120.325 120.198 0.127 17832 5217 1 14 . 1 1 40 40 TYR HA H 37 4.078 4.078 4.079 -0.001 17832 5218 1 14 . 1 1 40 40 TYR C C 37 175.043 175.043 177.048 -2.005 17832 5219 1 14 . 1 1 40 40 TYR CA C 37 58.971 58.971 61.316 -2.345 17832 5220 1 14 . 1 1 40 40 TYR CB C 37 35.875 35.875 38.365 -2.490 17832 5221 1 14 . 1 1 40 40 TYR H H 37 8.344 8.344 7.900 0.444 17832 5222 1 14 . 1 1 41 41 ALA N N 38 121.802 121.802 120.323 1.479 17832 5223 1 14 . 1 1 41 41 ALA HA H 38 3.746 3.746 4.333 -0.587 17832 5224 1 14 . 1 1 41 41 ALA C C 38 175.962 175.962 179.133 -3.171 17832 5225 1 14 . 1 1 41 41 ALA CA C 38 51.780 51.780 54.401 -2.622 17832 5226 1 14 . 1 1 41 41 ALA CB C 38 17.381 17.381 18.145 -0.764 17832 5227 1 14 . 1 1 41 41 ALA H H 38 8.291 8.291 8.148 0.143 17832 5228 1 14 . 1 1 42 42 LEU N N 39 116.563 116.563 117.987 -1.424 17832 5229 1 14 . 1 1 42 42 LEU HA H 39 3.820 3.820 3.949 -0.129 17832 5230 1 14 . 1 1 42 42 LEU C C 39 176.020 176.020 178.683 -2.663 17832 5231 1 14 . 1 1 42 42 LEU CA C 39 54.011 54.011 57.552 -3.541 17832 5232 1 14 . 1 1 42 42 LEU CB C 39 39.796 39.796 41.625 -1.829 17832 5233 1 14 . 1 1 42 42 LEU H H 39 7.865 7.865 7.488 0.377 17832 5234 1 14 . 1 1 43 43 ASN N N 40 115.561 115.561 116.957 -1.396 17832 5235 1 14 . 1 1 43 43 ASN HA H 40 4.436 4.436 4.429 0.007 17832 5236 1 14 . 1 1 43 43 ASN C C 40 173.390 173.390 177.563 -4.173 17832 5237 1 14 . 1 1 43 43 ASN CA C 40 51.492 51.492 56.020 -4.528 17832 5238 1 14 . 1 1 43 43 ASN CB C 40 36.401 36.401 38.748 -2.347 17832 5239 1 14 . 1 1 43 43 ASN H H 40 7.467 7.467 7.711 -0.244 17832 5240 1 14 . 1 1 44 44 GLU N N 41 120.609 120.609 118.343 2.266 17832 5241 1 14 . 1 1 44 44 GLU HA H 41 3.986 3.986 4.112 -0.126 17832 5242 1 14 . 1 1 44 44 GLU C C 41 174.161 174.161 178.118 -3.957 17832 5243 1 14 . 1 1 44 44 GLU CA C 41 54.775 54.775 57.968 -3.193 17832 5244 1 14 . 1 1 44 44 GLU CB C 41 27.094 27.094 29.198 -2.104 17832 5245 1 14 . 1 1 44 44 GLU H H 41 7.817 7.817 7.744 0.073 17832 5246 1 14 . 1 1 45 45 ASN N N 42 118.453 118.453 119.096 -0.643 17832 5247 1 14 . 1 1 45 45 ASN HA H 42 4.618 4.618 4.512 0.106 17832 5248 1 14 . 1 1 45 45 ASN C C 42 172.912 172.912 175.216 -2.304 17832 5249 1 14 . 1 1 45 45 ASN CA C 42 50.988 50.988 55.298 -4.310 17832 5250 1 14 . 1 1 45 45 ASN CB C 42 36.267 36.267 39.039 -2.772 17832 5251 1 14 . 1 1 45 45 ASN H H 42 8.087 8.087 7.877 0.210 17832 5252 1 14 . 1 1 46 46 SER N N 43 115.581 115.581 111.388 4.193 17832 5253 1 14 . 1 1 46 46 SER HA H 43 4.292 4.292 4.512 -0.220 17832 5254 1 14 . 1 1 46 46 SER C C 43 172.136 172.136 172.824 -0.688 17832 5255 1 14 . 1 1 46 46 SER CA C 43 56.202 56.202 58.960 -2.758 17832 5256 1 14 . 1 1 46 46 SER CB C 43 60.909 60.909 64.109 -3.200 17832 5257 1 14 . 1 1 46 46 SER H H 43 8.062 8.062 7.514 0.548 17832 5258 1 14 . 1 1 47 47 ASN N N 44 120.517 120.517 120.801 -0.284 17832 5259 1 14 . 1 1 47 47 ASN HA H 44 4.617 4.617 4.677 -0.060 17832 5260 1 14 . 1 1 47 47 ASN C C 44 172.545 172.545 174.094 -1.549 17832 5261 1 14 . 1 1 47 47 ASN CA C 44 51.174 51.174 53.590 -2.416 17832 5262 1 14 . 1 1 47 47 ASN CB C 44 36.208 36.208 39.820 -3.612 17832 5263 1 14 . 1 1 47 47 ASN H H 44 8.329 8.329 8.669 -0.340 17832 5264 1 14 . 1 1 48 48 ASP N N 45 120.294 120.294 120.594 -0.300 17832 5265 1 14 . 1 1 48 48 ASP HA H 45 4.500 4.500 4.737 -0.237 17832 5266 1 14 . 1 1 48 48 ASP C C 45 173.835 173.835 176.058 -2.223 17832 5267 1 14 . 1 1 48 48 ASP CA C 45 52.030 52.030 54.326 -2.296 17832 5268 1 14 . 1 1 48 48 ASP CB C 45 38.326 38.326 41.750 -3.424 17832 5269 1 14 . 1 1 48 48 ASP H H 45 8.220 8.220 8.402 -0.182 17832 5270 1 14 . 1 1 49 49 ARG N N 46 121.139 121.139 121.203 -0.064 17832 5271 1 14 . 1 1 49 49 ARG HA H 46 4.274 4.274 4.523 -0.249 17832 5272 1 14 . 1 1 49 49 ARG C C 46 174.032 174.032 176.246 -2.214 17832 5273 1 14 . 1 1 49 49 ARG CA C 46 53.425 53.425 56.708 -3.283 17832 5274 1 14 . 1 1 49 49 ARG CB C 46 27.615 27.615 31.984 -4.369 17832 5275 1 14 . 1 1 49 49 ARG H H 46 8.180 8.180 8.602 -0.422 17832 5276 1 14 . 1 1 50 50 SER N N 47 116.289 116.289 113.577 2.712 17832 5277 1 14 . 1 1 50 50 SER HA H 47 4.269 4.269 4.655 -0.386 17832 5278 1 14 . 1 1 50 50 SER C C 47 172.337 172.337 174.177 -1.840 17832 5279 1 14 . 1 1 50 50 SER CA C 47 56.379 56.379 58.935 -2.556 17832 5280 1 14 . 1 1 50 50 SER CB C 47 60.970 60.970 64.120 -3.150 17832 5281 1 14 . 1 1 50 50 SER H H 47 8.236 8.236 8.279 -0.043 17832 5282 1 14 . 1 1 51 51 GLU N N 48 122.019 122.019 119.999 2.020 17832 5283 1 14 . 1 1 51 51 GLU HA H 48 4.134 4.134 4.495 -0.361 17832 5284 1 14 . 1 1 51 51 GLU C C 48 174.002 174.002 174.893 -0.891 17832 5285 1 14 . 1 1 51 51 GLU CA C 48 54.285 54.285 55.875 -1.590 17832 5286 1 14 . 1 1 51 51 GLU CB C 48 27.192 27.192 31.263 -4.071 17832 5287 1 14 . 1 1 51 51 GLU H H 48 8.423 8.423 8.043 0.380 17832 5288 1 14 . 1 1 52 52 HIS N N 49 119.075 119.075 119.501 -0.426 17832 5289 1 14 . 1 1 52 52 HIS HA H 49 4.486 4.486 4.427 0.059 17832 5290 1 14 . 1 1 52 52 HIS C C 49 172.663 172.663 173.596 -0.933 17832 5291 1 14 . 1 1 52 52 HIS CA C 49 53.775 53.775 56.490 -2.715 17832 5292 1 14 . 1 1 52 52 HIS CB C 49 27.714 27.714 29.547 -1.833 17832 5293 1 14 . 1 1 52 52 HIS H H 49 8.117 8.117 8.544 -0.427 17832 5294 1 14 . 1 1 53 53 HIS N N 50 119.483 119.483 124.205 -4.722 17832 5295 1 14 . 1 1 53 53 HIS HA H 50 4.538 4.538 4.555 -0.017 17832 5296 1 14 . 1 1 53 53 HIS C C 50 172.355 172.355 174.795 -2.440 17832 5297 1 14 . 1 1 53 53 HIS CA C 50 53.433 53.433 56.261 -2.829 17832 5298 1 14 . 1 1 53 53 HIS CB C 50 27.694 27.694 31.919 -4.225 17832 5299 1 14 . 1 1 53 53 HIS H H 50 8.068 8.068 8.656 -0.588 17832 5300 1 14 . 1 1 54 54 LYS N N 51 122.136 122.136 120.686 1.450 17832 5301 1 14 . 1 1 54 54 LYS HA H 51 4.215 4.215 4.311 -0.096 17832 5302 1 14 . 1 1 54 54 LYS C C 51 173.474 173.474 175.015 -1.541 17832 5303 1 14 . 1 1 54 54 LYS CA C 51 53.445 53.445 57.025 -3.580 17832 5304 1 14 . 1 1 54 54 LYS CB C 51 30.329 30.329 32.558 -2.229 17832 5305 1 14 . 1 1 54 54 LYS H H 51 8.121 8.121 8.393 -0.272 17832 5306 1 14 . 1 1 55 55 LYS N N 52 124.022 124.022 121.205 2.817 17832 5307 1 14 . 1 1 55 55 LYS HA H 52 4.508 4.508 4.671 -0.163 17832 5308 1 14 . 1 1 55 55 LYS C C 52 171.685 171.685 174.193 -2.508 17832 5309 1 14 . 1 1 55 55 LYS CA C 52 51.516 51.516 55.114 -3.598 17832 5310 1 14 . 1 1 55 55 LYS CB C 52 29.818 29.818 32.459 -2.641 17832 5311 1 14 . 1 1 55 55 LYS H H 52 8.262 8.262 8.396 -0.134 17832 5312 1 14 . 1 1 56 56 PRO HA H 53 4.340 4.340 4.391 -0.051 17832 5313 1 14 . 1 1 56 56 PRO C C 53 173.830 173.830 175.785 -1.955 17832 5314 1 14 . 1 1 56 56 PRO CA C 53 60.496 60.496 63.261 -2.765 17832 5315 1 14 . 1 1 56 56 PRO CB C 53 29.444 29.444 32.323 -2.879 17832 5316 1 14 . 1 1 57 57 ARG N N 54 121.870 121.870 119.061 2.809 17832 5317 1 14 . 1 1 57 57 ARG HA H 54 4.279 4.279 4.365 -0.086 17832 5318 1 14 . 1 1 57 57 ARG C C 54 173.560 173.560 176.144 -2.584 17832 5319 1 14 . 1 1 57 57 ARG CA C 54 53.172 53.172 55.641 -2.469 17832 5320 1 14 . 1 1 57 57 ARG CB C 54 28.273 28.273 31.491 -3.218 17832 5321 1 14 . 1 1 57 57 ARG H H 54 8.396 8.396 8.146 0.250 17832 5322 1 14 . 1 1 58 58 ILE N N 55 122.683 122.683 120.068 2.615 17832 5323 1 14 . 1 1 58 58 ILE HA H 55 4.117 4.117 3.590 0.527 17832 5324 1 14 . 1 1 58 58 ILE C C 55 173.034 173.034 176.123 -3.089 17832 5325 1 14 . 1 1 58 58 ILE CA C 55 58.378 58.378 63.494 -5.116 17832 5326 1 14 . 1 1 58 58 ILE CB C 55 36.113 36.113 37.576 -1.463 17832 5327 1 14 . 1 1 58 58 ILE H H 55 8.258 8.258 8.556 -0.298 17832 5328 1 14 . 1 1 59 59 ASP N N 56 123.975 123.975 117.919 6.056 17832 5329 1 14 . 1 1 59 59 ASP HA H 56 4.581 4.581 4.636 -0.055 17832 5330 1 14 . 1 1 59 59 ASP C C 56 172.780 172.780 174.568 -1.788 17832 5331 1 14 . 1 1 59 59 ASP CA C 56 51.525 51.525 54.454 -2.929 17832 5332 1 14 . 1 1 59 59 ASP CB C 56 38.460 38.460 42.166 -3.706 17832 5333 1 14 . 1 1 59 59 ASP H H 56 8.364 8.364 8.538 -0.174 17832 5334 1 14 . 1 1 60 60 ASP N N 57 121.471 121.471 119.540 1.931 17832 5335 1 14 . 1 1 60 60 ASP HA H 57 4.563 4.563 4.792 -0.229 17832 5336 1 14 . 1 1 60 60 ASP C C 57 173.851 173.851 175.251 -1.400 17832 5337 1 14 . 1 1 60 60 ASP CA C 57 51.586 51.586 54.266 -2.680 17832 5338 1 14 . 1 1 60 60 ASP CB C 57 38.468 38.468 41.260 -2.792 17832 5339 1 14 . 1 1 60 60 ASP H H 57 8.393 8.393 8.234 0.159 17832 5340 1 14 . 1 1 61 61 SER N N 58 116.207 116.207 118.309 -2.102 17832 5341 1 14 . 1 1 61 61 SER C C 58 172.389 172.389 174.758 -2.369 17832 5342 1 14 . 1 1 61 61 SER CA C 58 56.129 56.129 58.658 -2.529 17832 5343 1 14 . 1 1 61 61 SER CB C 58 60.945 60.945 63.938 -2.993 17832 5344 1 14 . 1 1 61 61 SER H H 58 8.331 8.331 8.498 -0.167 17832 5345 1 14 . 1 1 62 62 SER N N 59 117.805 117.805 117.681 0.124 17832 5346 1 14 . 1 1 62 62 SER C C 59 171.778 171.778 173.803 -2.025 17832 5347 1 14 . 1 1 62 62 SER CA C 59 56.290 56.290 58.175 -1.885 17832 5348 1 14 . 1 1 62 62 SER CB C 59 60.930 60.930 64.013 -3.083 17832 5349 1 14 . 1 1 62 62 SER H H 59 8.334 8.334 8.008 0.326 17832 5350 1 14 . 1 1 63 63 ASP N N 60 122.124 122.124 121.676 0.448 17832 5351 1 14 . 1 1 63 63 ASP HA H 60 4.512 4.512 4.917 -0.405 17832 5352 1 14 . 1 1 63 63 ASP C C 60 173.550 173.550 175.716 -2.166 17832 5353 1 14 . 1 1 63 63 ASP CA C 60 51.916 51.916 53.553 -1.637 17832 5354 1 14 . 1 1 63 63 ASP CB C 60 38.264 38.264 42.389 -4.125 17832 5355 1 14 . 1 1 63 63 ASP H H 60 8.278 8.278 8.473 -0.195 17832 5356 1 14 . 1 1 64 64 LEU N N 61 121.450 121.450 123.591 -2.141 17832 5357 1 14 . 1 1 64 64 LEU HA H 61 4.223 4.223 4.441 -0.218 17832 5358 1 14 . 1 1 64 64 LEU C C 61 174.603 174.603 176.446 -1.843 17832 5359 1 14 . 1 1 64 64 LEU CA C 61 52.640 52.640 55.206 -2.566 17832 5360 1 14 . 1 1 64 64 LEU CB C 61 39.502 39.502 42.483 -2.981 17832 5361 1 14 . 1 1 64 64 LEU H H 61 7.931 7.931 8.440 -0.509 17832 5362 1 14 . 1 1 65 65 LEU N N 62 122.042 122.042 120.098 1.944 17832 5363 1 14 . 1 1 65 65 LEU HA H 62 4.273 4.273 4.140 0.133 17832 5364 1 14 . 1 1 65 65 LEU C C 62 174.372 174.372 175.965 -1.593 17832 5365 1 14 . 1 1 65 65 LEU CA C 62 52.339 52.339 54.938 -2.599 17832 5366 1 14 . 1 1 65 65 LEU CB C 62 39.426 39.426 41.725 -2.299 17832 5367 1 14 . 1 1 65 65 LEU H H 62 8.023 8.023 8.114 -0.091 17832 5368 1 14 . 1 1 66 66 LYS N N 63 122.782 122.782 120.576 2.206 17832 5369 1 14 . 1 1 66 66 LYS HA H 63 4.349 4.349 3.999 0.350 17832 5370 1 14 . 1 1 66 66 LYS C C 63 173.936 173.936 175.329 -1.393 17832 5371 1 14 . 1 1 66 66 LYS CA C 63 53.305 53.305 56.928 -3.623 17832 5372 1 14 . 1 1 66 66 LYS CB C 63 30.305 30.305 31.841 -1.536 17832 5373 1 14 . 1 1 66 66 LYS H H 63 8.145 8.145 8.386 -0.241 17832 5374 1 14 . 1 1 67 67 THR N N 64 115.478 115.478 113.684 1.794 17832 5375 1 14 . 1 1 67 67 THR HA H 64 4.298 4.298 4.406 -0.108 17832 5376 1 14 . 1 1 67 67 THR C C 64 171.473 171.473 174.429 -2.956 17832 5377 1 14 . 1 1 67 67 THR CA C 64 58.943 58.943 61.166 -2.223 17832 5378 1 14 . 1 1 67 67 THR CB C 64 67.038 67.038 70.878 -3.840 17832 5379 1 14 . 1 1 67 67 THR H H 64 8.196 8.196 7.854 0.342 17832 5380 1 14 . 1 1 68 68 ASP N N 65 122.013 122.013 123.520 -1.507 17832 5381 1 14 . 1 1 68 68 ASP C C 65 173.191 173.191 175.556 -2.365 17832 5382 1 14 . 1 1 68 68 ASP CA C 65 51.628 51.628 55.172 -3.544 17832 5383 1 14 . 1 1 68 68 ASP CB C 65 38.495 38.495 41.045 -2.550 17832 5384 1 14 . 1 1 68 68 ASP H H 65 8.307 8.307 8.543 -0.236 17832 5385 1 14 . 1 1 69 69 GLU N N 66 121.260 121.260 123.763 -2.503 17832 5386 1 14 . 1 1 69 69 GLU HA H 66 4.235 4.235 4.565 -0.330 17832 5387 1 14 . 1 1 69 69 GLU C C 66 172.706 172.706 174.841 -2.135 17832 5388 1 14 . 1 1 69 69 GLU CA C 66 53.881 53.881 56.367 -2.486 17832 5389 1 14 . 1 1 69 69 GLU CB C 66 27.731 27.731 31.599 -3.868 17832 5390 1 14 . 1 1 69 69 GLU H H 66 8.216 8.216 8.474 -0.258 17832 5391 1 15 . 1 1 3 3 MET C C 0 173.346 173.346 174.942 -1.596 17832 5392 1 15 . 1 1 3 3 MET CA C 0 52.930 52.930 55.822 -2.892 17832 5393 1 15 . 1 1 3 3 MET CB C 0 29.966 29.966 32.588 -2.622 17832 5394 1 15 . 1 1 4 4 MET N N 1 121.822 121.822 123.077 -1.255 17832 5395 1 15 . 1 1 4 4 MET HA H 1 4.378 4.378 4.653 -0.275 17832 5396 1 15 . 1 1 4 4 MET C C 1 173.585 173.585 176.029 -2.444 17832 5397 1 15 . 1 1 4 4 MET CA C 1 52.943 52.943 55.647 -2.704 17832 5398 1 15 . 1 1 4 4 MET CB C 1 30.112 30.112 33.187 -3.075 17832 5399 1 15 . 1 1 4 4 MET H H 1 8.553 8.553 8.408 0.145 17832 5400 1 15 . 1 1 5 5 SER N N 2 117.291 117.291 117.244 0.047 17832 5401 1 15 . 1 1 5 5 SER HA H 2 4.402 4.402 4.712 -0.310 17832 5402 1 15 . 1 1 5 5 SER C C 2 171.427 171.427 173.521 -2.094 17832 5403 1 15 . 1 1 5 5 SER CA C 2 55.920 55.920 57.317 -1.397 17832 5404 1 15 . 1 1 5 5 SER CB C 2 61.033 61.033 64.936 -3.903 17832 5405 1 15 . 1 1 5 5 SER H H 2 8.337 8.337 8.500 -0.163 17832 5406 1 15 . 1 1 6 6 LYS N N 3 121.932 121.932 123.592 -1.660 17832 5407 1 15 . 1 1 6 6 LYS HA H 3 4.282 4.282 4.591 -0.309 17832 5408 1 15 . 1 1 6 6 LYS C C 3 173.822 173.822 175.475 -1.653 17832 5409 1 15 . 1 1 6 6 LYS CA C 3 53.556 53.556 56.185 -2.629 17832 5410 1 15 . 1 1 6 6 LYS CB C 3 30.569 30.569 32.467 -1.898 17832 5411 1 15 . 1 1 6 6 LYS H H 3 8.216 8.216 8.632 -0.416 17832 5412 1 15 . 1 1 7 7 LEU N N 4 123.131 123.131 121.626 1.505 17832 5413 1 15 . 1 1 7 7 LEU HA H 4 4.310 4.310 4.657 -0.347 17832 5414 1 15 . 1 1 7 7 LEU C C 4 176.226 176.226 176.453 -0.227 17832 5415 1 15 . 1 1 7 7 LEU CA C 4 52.753 52.753 55.649 -2.896 17832 5416 1 15 . 1 1 7 7 LEU CB C 4 39.626 39.626 41.894 -2.268 17832 5417 1 15 . 1 1 7 7 LEU H H 4 8.301 8.301 8.593 -0.292 17832 5418 1 15 . 1 1 8 8 PHE N N 5 122.547 122.547 121.969 0.578 17832 5419 1 15 . 1 1 8 8 PHE HA H 5 4.313 4.313 4.536 -0.223 17832 5420 1 15 . 1 1 8 8 PHE CA C 5 56.963 56.963 60.162 -3.199 17832 5421 1 15 . 1 1 8 8 PHE CB C 5 35.205 35.205 39.285 -4.080 17832 5422 1 15 . 1 1 8 8 PHE H H 5 8.764 8.764 8.252 0.512 17832 5423 1 15 . 1 1 9 9 LEU HA H 6 3.079 3.079 4.278 -1.199 17832 5424 1 15 . 1 1 9 9 LEU C C 6 175.830 175.830 178.564 -2.734 17832 5425 1 15 . 1 1 9 9 LEU CA C 6 54.075 54.075 57.154 -3.079 17832 5426 1 15 . 1 1 9 9 LEU CB C 6 38.429 38.429 41.614 -3.185 17832 5427 1 15 . 1 1 10 10 ASP N N 7 116.164 116.164 118.561 -2.397 17832 5428 1 15 . 1 1 10 10 ASP HA H 7 4.294 4.294 4.423 -0.129 17832 5429 1 15 . 1 1 10 10 ASP C C 7 174.240 174.240 176.539 -2.299 17832 5430 1 15 . 1 1 10 10 ASP CA C 7 53.201 53.201 56.330 -3.129 17832 5431 1 15 . 1 1 10 10 ASP CB C 7 37.826 37.826 40.618 -2.792 17832 5432 1 15 . 1 1 10 10 ASP H H 7 7.488 7.488 8.349 -0.861 17832 5433 1 15 . 1 1 11 11 GLU N N 8 116.711 116.711 118.078 -1.367 17832 5434 1 15 . 1 1 11 11 GLU HA H 8 4.296 4.296 4.439 -0.143 17832 5435 1 15 . 1 1 11 11 GLU C C 8 173.322 173.322 175.665 -2.343 17832 5436 1 15 . 1 1 11 11 GLU CA C 8 53.231 53.231 55.690 -2.459 17832 5437 1 15 . 1 1 11 11 GLU CB C 8 27.333 27.333 29.084 -1.751 17832 5438 1 15 . 1 1 11 11 GLU H H 8 7.496 7.496 8.429 -0.933 17832 5439 1 15 . 1 1 12 12 LEU N N 9 117.751 117.751 120.059 -2.308 17832 5440 1 15 . 1 1 12 12 LEU HA H 9 4.313 4.313 4.735 -0.422 17832 5441 1 15 . 1 1 12 12 LEU C C 9 171.541 171.541 174.347 -2.806 17832 5442 1 15 . 1 1 12 12 LEU CA C 9 49.264 49.264 51.692 -2.428 17832 5443 1 15 . 1 1 12 12 LEU CB C 9 38.581 38.581 43.730 -5.149 17832 5444 1 15 . 1 1 12 12 LEU H H 9 6.803 6.803 7.504 -0.701 17832 5445 1 15 . 1 1 13 13 PRO HA H 10 4.311 4.311 4.441 -0.130 17832 5446 1 15 . 1 1 13 13 PRO C C 10 174.746 174.746 177.220 -2.474 17832 5447 1 15 . 1 1 13 13 PRO CA C 10 60.083 60.083 62.898 -2.816 17832 5448 1 15 . 1 1 13 13 PRO CB C 10 29.131 29.131 32.370 -3.239 17832 5449 1 15 . 1 1 14 14 GLU N N 11 125.693 125.693 118.503 7.190 17832 5450 1 15 . 1 1 14 14 GLU HA H 11 3.854 3.854 4.112 -0.258 17832 5451 1 15 . 1 1 14 14 GLU C C 11 175.180 175.180 178.624 -3.444 17832 5452 1 15 . 1 1 14 14 GLU CA C 11 57.035 57.035 59.135 -2.100 17832 5453 1 15 . 1 1 14 14 GLU CB C 11 26.761 26.761 29.498 -2.737 17832 5454 1 15 . 1 1 14 14 GLU H H 11 8.777 8.777 8.616 0.161 17832 5455 1 15 . 1 1 15 15 SER N N 12 111.734 111.734 114.968 -3.234 17832 5456 1 15 . 1 1 15 15 SER HA H 12 3.884 3.884 4.354 -0.470 17832 5457 1 15 . 1 1 15 15 SER C C 12 173.687 173.687 176.369 -2.682 17832 5458 1 15 . 1 1 15 15 SER CA C 12 58.230 58.230 60.270 -2.040 17832 5459 1 15 . 1 1 15 15 SER CB C 12 58.977 58.977 62.986 -4.009 17832 5460 1 15 . 1 1 15 15 SER H H 12 8.563 8.563 8.189 0.374 17832 5461 1 15 . 1 1 16 16 LEU N N 13 122.925 122.925 121.737 1.188 17832 5462 1 15 . 1 1 16 16 LEU HA H 13 4.081 4.081 4.143 -0.062 17832 5463 1 15 . 1 1 16 16 LEU C C 13 175.385 175.385 178.873 -3.488 17832 5464 1 15 . 1 1 16 16 LEU CA C 13 54.057 54.057 57.837 -3.780 17832 5465 1 15 . 1 1 16 16 LEU CB C 13 39.498 39.498 40.867 -1.369 17832 5466 1 15 . 1 1 16 16 LEU H H 13 6.828 6.828 8.137 -1.309 17832 5467 1 15 . 1 1 17 17 SER N N 14 114.839 114.839 113.735 1.104 17832 5468 1 15 . 1 1 17 17 SER HA H 14 3.585 3.585 4.109 -0.524 17832 5469 1 15 . 1 1 17 17 SER C C 14 175.435 175.435 176.341 -0.906 17832 5470 1 15 . 1 1 17 17 SER CA C 14 58.835 58.835 61.726 -2.891 17832 5471 1 15 . 1 1 17 17 SER CB C 14 59.345 59.345 63.024 -3.679 17832 5472 1 15 . 1 1 17 17 SER H H 14 8.266 8.266 7.829 0.437 17832 5473 1 15 . 1 1 18 18 ARG N N 15 121.474 121.474 119.772 1.702 17832 5474 1 15 . 1 1 18 18 ARG HA H 15 3.897 3.897 4.134 -0.237 17832 5475 1 15 . 1 1 18 18 ARG C C 15 176.749 176.749 179.079 -2.330 17832 5476 1 15 . 1 1 18 18 ARG CA C 15 56.827 56.827 59.214 -2.387 17832 5477 1 15 . 1 1 18 18 ARG CB C 15 27.154 27.154 30.414 -3.260 17832 5478 1 15 . 1 1 18 18 ARG H H 15 8.385 8.385 7.274 1.111 17832 5479 1 15 . 1 1 19 19 LYS N N 16 119.494 119.494 120.491 -0.997 17832 5480 1 15 . 1 1 19 19 LYS HA H 16 3.947 3.947 4.141 -0.194 17832 5481 1 15 . 1 1 19 19 LYS C C 16 177.319 177.319 179.312 -1.993 17832 5482 1 15 . 1 1 19 19 LYS CA C 16 57.412 57.412 59.341 -1.929 17832 5483 1 15 . 1 1 19 19 LYS CB C 16 30.432 30.432 32.477 -2.045 17832 5484 1 15 . 1 1 19 19 LYS H H 16 7.269 7.269 7.657 -0.388 17832 5485 1 15 . 1 1 20 20 ILE N N 17 120.972 120.972 119.156 1.816 17832 5486 1 15 . 1 1 20 20 ILE HA H 17 2.813 2.813 3.894 -1.081 17832 5487 1 15 . 1 1 20 20 ILE C C 17 175.324 175.324 177.607 -2.283 17832 5488 1 15 . 1 1 20 20 ILE CA C 17 63.012 63.012 64.951 -1.939 17832 5489 1 15 . 1 1 20 20 ILE CB C 17 34.710 34.710 37.971 -3.261 17832 5490 1 15 . 1 1 20 20 ILE H H 17 7.993 7.993 8.904 -0.911 17832 5491 1 15 . 1 1 21 21 GLY N N 18 106.894 106.894 106.809 0.085 17832 5492 1 15 . 1 1 21 21 GLY C C 18 173.161 173.161 175.697 -2.536 17832 5493 1 15 . 1 1 21 21 GLY CA C 18 44.450 44.450 47.361 -2.911 17832 5494 1 15 . 1 1 21 21 GLY H H 18 8.259 8.259 8.060 0.199 17832 5495 1 15 . 1 1 22 22 THR N N 19 113.696 113.696 115.564 -1.868 17832 5496 1 15 . 1 1 22 22 THR HA H 19 3.946 3.946 4.204 -0.258 17832 5497 1 15 . 1 1 22 22 THR C C 19 173.081 173.081 175.852 -2.771 17832 5498 1 15 . 1 1 22 22 THR CA C 19 62.984 62.984 64.465 -1.481 17832 5499 1 15 . 1 1 22 22 THR CB C 19 66.403 66.403 68.977 -2.574 17832 5500 1 15 . 1 1 22 22 THR H H 19 7.502 7.502 7.433 0.069 17832 5501 1 15 . 1 1 23 23 VAL N N 20 123.120 123.120 120.676 2.444 17832 5502 1 15 . 1 1 23 23 VAL HA H 20 3.649 3.649 3.959 -0.310 17832 5503 1 15 . 1 1 23 23 VAL C C 20 174.858 174.858 177.445 -2.587 17832 5504 1 15 . 1 1 23 23 VAL CA C 20 62.761 62.761 64.732 -1.971 17832 5505 1 15 . 1 1 23 23 VAL CB C 20 29.222 29.222 32.316 -3.094 17832 5506 1 15 . 1 1 23 23 VAL H H 20 7.168 7.168 7.373 -0.205 17832 5507 1 15 . 1 1 24 24 VAL N N 21 119.729 119.729 120.051 -0.322 17832 5508 1 15 . 1 1 24 24 VAL HA H 21 3.541 3.541 3.684 -0.143 17832 5509 1 15 . 1 1 24 24 VAL C C 21 174.410 174.410 176.932 -2.522 17832 5510 1 15 . 1 1 24 24 VAL CA C 21 61.966 61.966 66.322 -4.356 17832 5511 1 15 . 1 1 24 24 VAL CB C 21 29.360 29.360 31.501 -2.141 17832 5512 1 15 . 1 1 24 24 VAL H H 21 8.129 8.129 8.513 -0.384 17832 5513 1 15 . 1 1 25 25 ARG N N 22 116.239 116.239 118.670 -2.431 17832 5514 1 15 . 1 1 25 25 ARG HA H 22 3.952 3.952 4.024 -0.072 17832 5515 1 15 . 1 1 25 25 ARG C C 22 174.899 174.899 177.616 -2.717 17832 5516 1 15 . 1 1 25 25 ARG CA C 22 56.097 56.097 58.871 -2.774 17832 5517 1 15 . 1 1 25 25 ARG CB C 22 27.473 27.473 30.227 -2.755 17832 5518 1 15 . 1 1 25 25 ARG H H 22 7.633 7.633 7.771 -0.138 17832 5519 1 15 . 1 1 26 26 VAL N N 23 115.006 115.006 117.675 -2.669 17832 5520 1 15 . 1 1 26 26 VAL HA H 23 3.995 3.995 3.962 0.033 17832 5521 1 15 . 1 1 26 26 VAL C C 23 173.187 173.187 176.768 -3.581 17832 5522 1 15 . 1 1 26 26 VAL CA C 23 61.107 61.107 64.691 -3.584 17832 5523 1 15 . 1 1 26 26 VAL CB C 23 29.977 29.977 32.742 -2.765 17832 5524 1 15 . 1 1 26 26 VAL H H 23 6.886 6.886 7.742 -0.856 17832 5525 1 15 . 1 1 27 27 LEU N N 24 120.940 120.940 120.020 0.920 17832 5526 1 15 . 1 1 27 27 LEU HA H 24 4.930 4.930 4.809 0.121 17832 5527 1 15 . 1 1 27 27 LEU C C 24 171.363 171.363 175.120 -3.757 17832 5528 1 15 . 1 1 27 27 LEU CA C 24 48.752 48.752 51.936 -3.184 17832 5529 1 15 . 1 1 27 27 LEU CB C 24 40.669 40.669 42.806 -2.138 17832 5530 1 15 . 1 1 27 27 LEU H H 24 8.338 8.338 7.360 0.978 17832 5531 1 15 . 1 1 28 28 PRO HA H 25 4.767 4.767 4.480 0.287 17832 5532 1 15 . 1 1 28 28 PRO C C 25 176.742 176.742 177.495 -0.753 17832 5533 1 15 . 1 1 28 28 PRO CA C 25 63.453 63.453 64.672 -1.220 17832 5534 1 15 . 1 1 28 28 PRO CB C 25 29.004 29.004 31.987 -2.983 17832 5535 1 15 . 1 1 29 29 SER N N 26 111.726 111.726 113.179 -1.453 17832 5536 1 15 . 1 1 29 29 SER HA H 26 4.422 4.422 4.564 -0.142 17832 5537 1 15 . 1 1 29 29 SER C C 26 172.811 172.811 176.525 -3.714 17832 5538 1 15 . 1 1 29 29 SER CA C 26 57.331 57.331 59.041 -1.710 17832 5539 1 15 . 1 1 29 29 SER CB C 26 59.552 59.552 62.668 -3.116 17832 5540 1 15 . 1 1 29 29 SER H H 26 8.279 8.279 8.435 -0.156 17832 5541 1 15 . 1 1 30 30 SER N N 27 116.503 116.503 118.005 -1.502 17832 5542 1 15 . 1 1 30 30 SER HA H 27 4.103 4.103 4.071 0.032 17832 5543 1 15 . 1 1 30 30 SER C C 27 174.324 174.324 176.230 -1.906 17832 5544 1 15 . 1 1 30 30 SER CA C 27 58.661 58.661 60.960 -2.299 17832 5545 1 15 . 1 1 30 30 SER CB C 27 61.593 61.593 62.828 -1.235 17832 5546 1 15 . 1 1 30 30 SER H H 27 8.642 8.642 8.244 0.398 17832 5547 1 15 . 1 1 31 31 LEU N N 28 126.322 126.322 119.126 7.196 17832 5548 1 15 . 1 1 31 31 LEU HA H 28 4.281 4.281 4.294 -0.013 17832 5549 1 15 . 1 1 31 31 LEU C C 28 175.385 175.385 178.081 -2.696 17832 5550 1 15 . 1 1 31 31 LEU CA C 28 56.992 56.992 57.800 -0.808 17832 5551 1 15 . 1 1 31 31 LEU CB C 28 38.241 38.241 40.975 -2.734 17832 5552 1 15 . 1 1 31 31 LEU H H 28 7.634 7.634 7.528 0.106 17832 5553 1 15 . 1 1 32 32 GLU N N 29 114.812 114.812 119.575 -4.763 17832 5554 1 15 . 1 1 32 32 GLU HA H 29 4.230 4.230 3.858 0.372 17832 5555 1 15 . 1 1 32 32 GLU C C 29 175.711 175.711 178.908 -3.197 17832 5556 1 15 . 1 1 32 32 GLU CA C 29 56.205 56.205 59.267 -3.062 17832 5557 1 15 . 1 1 32 32 GLU CB C 29 26.903 26.903 29.147 -2.244 17832 5558 1 15 . 1 1 32 32 GLU H H 29 8.283 8.283 7.633 0.650 17832 5559 1 15 . 1 1 33 33 ILE N N 30 121.972 121.972 119.010 2.962 17832 5560 1 15 . 1 1 33 33 ILE HA H 30 3.773 3.773 3.732 0.041 17832 5561 1 15 . 1 1 33 33 ILE C C 30 175.177 175.177 177.578 -2.401 17832 5562 1 15 . 1 1 33 33 ILE CA C 30 62.116 62.116 64.376 -2.260 17832 5563 1 15 . 1 1 33 33 ILE CB C 30 35.018 35.018 37.522 -2.504 17832 5564 1 15 . 1 1 33 33 ILE H H 30 7.477 7.477 7.420 0.057 17832 5565 1 15 . 1 1 34 34 PHE N N 31 117.727 117.727 118.584 -0.857 17832 5566 1 15 . 1 1 34 34 PHE HA H 31 4.208 4.208 4.417 -0.208 17832 5567 1 15 . 1 1 34 34 PHE C C 31 174.731 174.731 178.015 -3.284 17832 5568 1 15 . 1 1 34 34 PHE CA C 31 61.035 61.035 59.402 1.633 17832 5569 1 15 . 1 1 34 34 PHE CB C 31 36.224 36.224 38.217 -1.993 17832 5570 1 15 . 1 1 34 34 PHE H H 31 8.137 8.137 7.262 0.875 17832 5571 1 15 . 1 1 35 35 GLU N N 32 118.271 118.271 121.404 -3.133 17832 5572 1 15 . 1 1 35 35 GLU HA H 32 2.721 2.721 4.461 -1.740 17832 5573 1 15 . 1 1 35 35 GLU C C 32 174.785 174.785 178.678 -3.893 17832 5574 1 15 . 1 1 35 35 GLU CA C 32 57.304 57.304 60.914 -3.610 17832 5575 1 15 . 1 1 35 35 GLU CB C 32 26.997 26.997 29.506 -2.509 17832 5576 1 15 . 1 1 35 35 GLU H H 32 8.249 8.249 8.716 -0.467 17832 5577 1 15 . 1 1 36 36 GLU N N 33 119.678 119.678 120.070 -0.392 17832 5578 1 15 . 1 1 36 36 GLU HA H 33 3.887 3.887 4.123 -0.236 17832 5579 1 15 . 1 1 36 36 GLU C C 33 176.760 176.760 179.130 -2.370 17832 5580 1 15 . 1 1 36 36 GLU CA C 33 57.241 57.241 59.666 -2.425 17832 5581 1 15 . 1 1 36 36 GLU CB C 33 26.806 26.806 29.443 -2.637 17832 5582 1 15 . 1 1 36 36 GLU H H 33 7.971 7.971 7.716 0.255 17832 5583 1 15 . 1 1 37 37 LEU N N 34 120.144 120.144 120.613 -0.469 17832 5584 1 15 . 1 1 37 37 LEU HA H 34 4.280 4.280 4.162 0.118 17832 5585 1 15 . 1 1 37 37 LEU C C 34 174.327 174.327 178.680 -4.353 17832 5586 1 15 . 1 1 37 37 LEU CA C 34 55.502 55.502 58.274 -2.772 17832 5587 1 15 . 1 1 37 37 LEU CB C 34 39.354 39.354 41.132 -1.778 17832 5588 1 15 . 1 1 37 37 LEU H H 34 8.278 8.278 7.495 0.783 17832 5589 1 15 . 1 1 38 38 TYR N N 35 119.703 119.703 121.368 -1.665 17832 5590 1 15 . 1 1 38 38 TYR HA H 35 4.070 4.070 4.122 -0.052 17832 5591 1 15 . 1 1 38 38 TYR C C 35 173.298 173.298 177.953 -4.655 17832 5592 1 15 . 1 1 38 38 TYR CA C 35 59.098 59.098 60.969 -1.871 17832 5593 1 15 . 1 1 38 38 TYR CB C 35 36.534 36.534 38.089 -1.555 17832 5594 1 15 . 1 1 38 38 TYR H H 35 8.417 8.417 8.855 -0.438 17832 5595 1 15 . 1 1 39 39 LYS N N 36 115.392 115.392 118.740 -3.348 17832 5596 1 15 . 1 1 39 39 LYS HA H 36 3.621 3.621 3.630 -0.009 17832 5597 1 15 . 1 1 39 39 LYS C C 36 176.456 176.456 178.537 -2.081 17832 5598 1 15 . 1 1 39 39 LYS CA C 36 57.011 57.011 58.256 -1.245 17832 5599 1 15 . 1 1 39 39 LYS CB C 36 29.694 29.694 32.487 -2.793 17832 5600 1 15 . 1 1 39 39 LYS H H 36 8.441 8.441 8.291 0.150 17832 5601 1 15 . 1 1 40 40 TYR N N 37 120.325 120.325 120.658 -0.333 17832 5602 1 15 . 1 1 40 40 TYR HA H 37 4.078 4.078 4.051 0.027 17832 5603 1 15 . 1 1 40 40 TYR C C 37 175.043 175.043 177.148 -2.105 17832 5604 1 15 . 1 1 40 40 TYR CA C 37 58.971 58.971 61.609 -2.639 17832 5605 1 15 . 1 1 40 40 TYR CB C 37 35.875 35.875 38.534 -2.659 17832 5606 1 15 . 1 1 40 40 TYR H H 37 8.344 8.344 8.306 0.038 17832 5607 1 15 . 1 1 41 41 ALA N N 38 121.802 121.802 120.410 1.392 17832 5608 1 15 . 1 1 41 41 ALA HA H 38 3.746 3.746 4.306 -0.560 17832 5609 1 15 . 1 1 41 41 ALA C C 38 175.962 175.962 179.810 -3.848 17832 5610 1 15 . 1 1 41 41 ALA CA C 38 51.780 51.780 54.230 -2.450 17832 5611 1 15 . 1 1 41 41 ALA CB C 38 17.381 17.381 18.471 -1.090 17832 5612 1 15 . 1 1 41 41 ALA H H 38 8.291 8.291 8.054 0.237 17832 5613 1 15 . 1 1 42 42 LEU N N 39 116.563 116.563 118.232 -1.669 17832 5614 1 15 . 1 1 42 42 LEU HA H 39 3.820 3.820 4.017 -0.197 17832 5615 1 15 . 1 1 42 42 LEU C C 39 176.020 176.020 178.029 -2.009 17832 5616 1 15 . 1 1 42 42 LEU CA C 39 54.011 54.011 56.882 -2.871 17832 5617 1 15 . 1 1 42 42 LEU CB C 39 39.796 39.796 41.868 -2.072 17832 5618 1 15 . 1 1 42 42 LEU H H 39 7.865 7.865 7.616 0.249 17832 5619 1 15 . 1 1 43 43 ASN N N 40 115.561 115.561 117.401 -1.840 17832 5620 1 15 . 1 1 43 43 ASN HA H 40 4.436 4.436 4.392 0.044 17832 5621 1 15 . 1 1 43 43 ASN C C 40 173.390 173.390 176.459 -3.069 17832 5622 1 15 . 1 1 43 43 ASN CA C 40 51.492 51.492 55.615 -4.123 17832 5623 1 15 . 1 1 43 43 ASN CB C 40 36.401 36.401 38.272 -1.871 17832 5624 1 15 . 1 1 43 43 ASN H H 40 7.467 7.467 7.631 -0.164 17832 5625 1 15 . 1 1 44 44 GLU N N 41 120.609 120.609 118.731 1.878 17832 5626 1 15 . 1 1 44 44 GLU HA H 41 3.986 3.986 4.001 -0.015 17832 5627 1 15 . 1 1 44 44 GLU C C 41 174.161 174.161 177.562 -3.401 17832 5628 1 15 . 1 1 44 44 GLU CA C 41 54.775 54.775 58.784 -4.009 17832 5629 1 15 . 1 1 44 44 GLU CB C 41 27.094 27.094 29.512 -2.418 17832 5630 1 15 . 1 1 44 44 GLU H H 41 7.817 7.817 7.716 0.101 17832 5631 1 15 . 1 1 45 45 ASN N N 42 118.453 118.453 115.111 3.342 17832 5632 1 15 . 1 1 45 45 ASN HA H 42 4.618 4.618 4.648 -0.030 17832 5633 1 15 . 1 1 45 45 ASN C C 42 172.912 172.912 175.328 -2.416 17832 5634 1 15 . 1 1 45 45 ASN CA C 42 50.988 50.988 53.980 -2.992 17832 5635 1 15 . 1 1 45 45 ASN CB C 42 36.267 36.267 39.469 -3.202 17832 5636 1 15 . 1 1 45 45 ASN H H 42 8.087 8.087 7.441 0.646 17832 5637 1 15 . 1 1 46 46 SER N N 43 115.581 115.581 114.937 0.644 17832 5638 1 15 . 1 1 46 46 SER HA H 43 4.292 4.292 4.159 0.133 17832 5639 1 15 . 1 1 46 46 SER C C 43 172.136 172.136 173.041 -0.905 17832 5640 1 15 . 1 1 46 46 SER CA C 43 56.202 56.202 58.833 -2.631 17832 5641 1 15 . 1 1 46 46 SER CB C 43 60.909 60.909 63.275 -2.366 17832 5642 1 15 . 1 1 46 46 SER H H 43 8.062 8.062 7.731 0.331 17832 5643 1 15 . 1 1 47 47 ASN N N 44 120.517 120.517 121.311 -0.794 17832 5644 1 15 . 1 1 47 47 ASN HA H 44 4.617 4.617 4.745 -0.128 17832 5645 1 15 . 1 1 47 47 ASN C C 44 172.545 172.545 174.684 -2.139 17832 5646 1 15 . 1 1 47 47 ASN CA C 44 51.174 51.174 53.190 -2.016 17832 5647 1 15 . 1 1 47 47 ASN CB C 44 36.208 36.208 39.333 -3.125 17832 5648 1 15 . 1 1 47 47 ASN H H 44 8.329 8.329 8.296 0.033 17832 5649 1 15 . 1 1 48 48 ASP N N 45 120.294 120.294 122.290 -1.996 17832 5650 1 15 . 1 1 48 48 ASP HA H 45 4.500 4.500 4.725 -0.225 17832 5651 1 15 . 1 1 48 48 ASP C C 45 173.835 173.835 176.002 -2.167 17832 5652 1 15 . 1 1 48 48 ASP CA C 45 52.030 52.030 53.649 -1.619 17832 5653 1 15 . 1 1 48 48 ASP CB C 45 38.326 38.326 41.692 -3.366 17832 5654 1 15 . 1 1 48 48 ASP H H 45 8.220 8.220 8.504 -0.284 17832 5655 1 15 . 1 1 49 49 ARG N N 46 121.139 121.139 122.342 -1.203 17832 5656 1 15 . 1 1 49 49 ARG HA H 46 4.274 4.274 4.164 0.110 17832 5657 1 15 . 1 1 49 49 ARG C C 46 174.032 174.032 174.833 -0.801 17832 5658 1 15 . 1 1 49 49 ARG CA C 46 53.425 53.425 56.851 -3.426 17832 5659 1 15 . 1 1 49 49 ARG CB C 46 27.615 27.615 30.082 -2.467 17832 5660 1 15 . 1 1 49 49 ARG H H 46 8.180 8.180 8.821 -0.641 17832 5661 1 15 . 1 1 50 50 SER N N 47 116.289 116.289 114.606 1.683 17832 5662 1 15 . 1 1 50 50 SER HA H 47 4.269 4.269 4.388 -0.119 17832 5663 1 15 . 1 1 50 50 SER C C 47 172.337 172.337 174.305 -1.968 17832 5664 1 15 . 1 1 50 50 SER CA C 47 56.379 56.379 58.465 -2.086 17832 5665 1 15 . 1 1 50 50 SER CB C 47 60.970 60.970 63.664 -2.694 17832 5666 1 15 . 1 1 50 50 SER H H 47 8.236 8.236 8.580 -0.344 17832 5667 1 15 . 1 1 51 51 GLU N N 48 122.019 122.019 122.933 -0.914 17832 5668 1 15 . 1 1 51 51 GLU HA H 48 4.134 4.134 4.576 -0.442 17832 5669 1 15 . 1 1 51 51 GLU C C 48 174.002 174.002 175.628 -1.626 17832 5670 1 15 . 1 1 51 51 GLU CA C 48 54.285 54.285 55.492 -1.207 17832 5671 1 15 . 1 1 51 51 GLU CB C 48 27.192 27.192 29.489 -2.297 17832 5672 1 15 . 1 1 51 51 GLU H H 48 8.423 8.423 8.548 -0.125 17832 5673 1 15 . 1 1 52 52 HIS N N 49 119.075 119.075 120.224 -1.149 17832 5674 1 15 . 1 1 52 52 HIS HA H 49 4.486 4.486 4.422 0.064 17832 5675 1 15 . 1 1 52 52 HIS C C 49 172.663 172.663 175.286 -2.623 17832 5676 1 15 . 1 1 52 52 HIS CA C 49 53.775 53.775 56.530 -2.755 17832 5677 1 15 . 1 1 52 52 HIS CB C 49 27.714 27.714 30.429 -2.715 17832 5678 1 15 . 1 1 52 52 HIS H H 49 8.117 8.117 8.338 -0.221 17832 5679 1 15 . 1 1 53 53 HIS N N 50 119.483 119.483 117.459 2.024 17832 5680 1 15 . 1 1 53 53 HIS HA H 50 4.538 4.538 4.492 0.046 17832 5681 1 15 . 1 1 53 53 HIS C C 50 172.355 172.355 173.797 -1.442 17832 5682 1 15 . 1 1 53 53 HIS CA C 50 53.433 53.433 56.404 -2.970 17832 5683 1 15 . 1 1 53 53 HIS CB C 50 27.694 27.694 28.519 -0.825 17832 5684 1 15 . 1 1 53 53 HIS H H 50 8.068 8.068 8.672 -0.604 17832 5685 1 15 . 1 1 54 54 LYS N N 51 122.136 122.136 120.875 1.261 17832 5686 1 15 . 1 1 54 54 LYS HA H 51 4.215 4.215 4.702 -0.487 17832 5687 1 15 . 1 1 54 54 LYS C C 51 173.474 173.474 175.776 -2.302 17832 5688 1 15 . 1 1 54 54 LYS CA C 51 53.445 53.445 55.229 -1.784 17832 5689 1 15 . 1 1 54 54 LYS CB C 51 30.329 30.329 35.249 -4.920 17832 5690 1 15 . 1 1 54 54 LYS H H 51 8.121 8.121 8.149 -0.028 17832 5691 1 15 . 1 1 55 55 LYS N N 52 124.022 124.022 122.182 1.840 17832 5692 1 15 . 1 1 55 55 LYS HA H 52 4.508 4.508 4.722 -0.214 17832 5693 1 15 . 1 1 55 55 LYS C C 52 171.685 171.685 174.260 -2.575 17832 5694 1 15 . 1 1 55 55 LYS CA C 52 51.516 51.516 54.511 -2.995 17832 5695 1 15 . 1 1 55 55 LYS CB C 52 29.818 29.818 32.356 -2.538 17832 5696 1 15 . 1 1 55 55 LYS H H 52 8.262 8.262 8.277 -0.015 17832 5697 1 15 . 1 1 56 56 PRO HA H 53 4.340 4.340 4.437 -0.097 17832 5698 1 15 . 1 1 56 56 PRO C C 53 173.830 173.830 176.144 -2.314 17832 5699 1 15 . 1 1 56 56 PRO CA C 53 60.496 60.496 62.742 -2.246 17832 5700 1 15 . 1 1 56 56 PRO CB C 53 29.444 29.444 32.351 -2.907 17832 5701 1 15 . 1 1 57 57 ARG N N 54 121.870 121.870 121.967 -0.097 17832 5702 1 15 . 1 1 57 57 ARG HA H 54 4.279 4.279 4.210 0.069 17832 5703 1 15 . 1 1 57 57 ARG C C 54 173.560 173.560 175.452 -1.892 17832 5704 1 15 . 1 1 57 57 ARG CA C 54 53.172 53.172 56.175 -3.003 17832 5705 1 15 . 1 1 57 57 ARG CB C 54 28.273 28.273 30.756 -2.483 17832 5706 1 15 . 1 1 57 57 ARG H H 54 8.396 8.396 8.290 0.106 17832 5707 1 15 . 1 1 58 58 ILE N N 55 122.683 122.683 121.399 1.284 17832 5708 1 15 . 1 1 58 58 ILE HA H 55 4.117 4.117 4.277 -0.160 17832 5709 1 15 . 1 1 58 58 ILE C C 55 173.034 173.034 174.938 -1.904 17832 5710 1 15 . 1 1 58 58 ILE CA C 55 58.378 58.378 59.573 -1.195 17832 5711 1 15 . 1 1 58 58 ILE CB C 55 36.113 36.113 41.672 -5.559 17832 5712 1 15 . 1 1 58 58 ILE H H 55 8.258 8.258 8.266 -0.008 17832 5713 1 15 . 1 1 59 59 ASP N N 56 123.975 123.975 125.642 -1.667 17832 5714 1 15 . 1 1 59 59 ASP HA H 56 4.581 4.581 4.560 0.021 17832 5715 1 15 . 1 1 59 59 ASP C C 56 172.780 172.780 175.412 -2.632 17832 5716 1 15 . 1 1 59 59 ASP CA C 56 51.525 51.525 54.703 -3.178 17832 5717 1 15 . 1 1 59 59 ASP CB C 56 38.460 38.460 40.656 -2.196 17832 5718 1 15 . 1 1 59 59 ASP H H 56 8.364 8.364 8.588 -0.224 17832 5719 1 15 . 1 1 60 60 ASP N N 57 121.471 121.471 123.439 -1.968 17832 5720 1 15 . 1 1 60 60 ASP HA H 57 4.563 4.563 4.771 -0.208 17832 5721 1 15 . 1 1 60 60 ASP C C 57 173.851 173.851 175.331 -1.480 17832 5722 1 15 . 1 1 60 60 ASP CA C 57 51.586 51.586 53.883 -2.297 17832 5723 1 15 . 1 1 60 60 ASP CB C 57 38.468 38.468 44.012 -5.544 17832 5724 1 15 . 1 1 60 60 ASP H H 57 8.393 8.393 8.135 0.258 17832 5725 1 15 . 1 1 61 61 SER N N 58 116.207 116.207 116.506 -0.299 17832 5726 1 15 . 1 1 61 61 SER C C 58 172.389 172.389 173.988 -1.599 17832 5727 1 15 . 1 1 61 61 SER CA C 58 56.129 56.129 58.362 -2.233 17832 5728 1 15 . 1 1 61 61 SER CB C 58 60.945 60.945 63.802 -2.857 17832 5729 1 15 . 1 1 61 61 SER H H 58 8.331 8.331 8.381 -0.050 17832 5730 1 15 . 1 1 62 62 SER N N 59 117.805 117.805 116.370 1.435 17832 5731 1 15 . 1 1 62 62 SER C C 59 171.778 171.778 173.875 -2.097 17832 5732 1 15 . 1 1 62 62 SER CA C 59 56.290 56.290 58.327 -2.037 17832 5733 1 15 . 1 1 62 62 SER CB C 59 60.930 60.930 63.708 -2.778 17832 5734 1 15 . 1 1 62 62 SER H H 59 8.334 8.334 7.938 0.396 17832 5735 1 15 . 1 1 63 63 ASP N N 60 122.124 122.124 120.702 1.422 17832 5736 1 15 . 1 1 63 63 ASP HA H 60 4.512 4.512 4.719 -0.207 17832 5737 1 15 . 1 1 63 63 ASP C C 60 173.550 173.550 175.489 -1.939 17832 5738 1 15 . 1 1 63 63 ASP CA C 60 51.916 51.916 54.912 -2.996 17832 5739 1 15 . 1 1 63 63 ASP CB C 60 38.264 38.264 41.544 -3.280 17832 5740 1 15 . 1 1 63 63 ASP H H 60 8.278 8.278 8.227 0.051 17832 5741 1 15 . 1 1 64 64 LEU N N 61 121.450 121.450 120.073 1.377 17832 5742 1 15 . 1 1 64 64 LEU HA H 61 4.223 4.223 4.716 -0.493 17832 5743 1 15 . 1 1 64 64 LEU C C 61 174.603 174.603 174.985 -0.382 17832 5744 1 15 . 1 1 64 64 LEU CA C 61 52.640 52.640 54.431 -1.791 17832 5745 1 15 . 1 1 64 64 LEU CB C 61 39.502 39.502 44.847 -5.345 17832 5746 1 15 . 1 1 64 64 LEU H H 61 7.931 7.931 7.747 0.184 17832 5747 1 15 . 1 1 65 65 LEU N N 62 122.042 122.042 116.584 5.458 17832 5748 1 15 . 1 1 65 65 LEU HA H 62 4.273 4.273 4.837 -0.564 17832 5749 1 15 . 1 1 65 65 LEU C C 62 174.372 174.372 176.401 -2.029 17832 5750 1 15 . 1 1 65 65 LEU CA C 62 52.339 52.339 54.730 -2.392 17832 5751 1 15 . 1 1 65 65 LEU CB C 62 39.426 39.426 42.090 -2.664 17832 5752 1 15 . 1 1 65 65 LEU H H 62 8.023 8.023 8.111 -0.088 17832 5753 1 15 . 1 1 66 66 LYS N N 63 122.782 122.782 120.617 2.165 17832 5754 1 15 . 1 1 66 66 LYS HA H 63 4.349 4.349 4.690 -0.341 17832 5755 1 15 . 1 1 66 66 LYS C C 63 173.936 173.936 176.935 -2.999 17832 5756 1 15 . 1 1 66 66 LYS CA C 63 53.305 53.305 57.514 -4.208 17832 5757 1 15 . 1 1 66 66 LYS CB C 63 30.305 30.305 32.937 -2.632 17832 5758 1 15 . 1 1 66 66 LYS H H 63 8.145 8.145 8.669 -0.524 17832 5759 1 15 . 1 1 67 67 THR N N 64 115.478 115.478 114.586 0.892 17832 5760 1 15 . 1 1 67 67 THR HA H 64 4.298 4.298 4.567 -0.269 17832 5761 1 15 . 1 1 67 67 THR C C 64 171.473 171.473 173.726 -2.253 17832 5762 1 15 . 1 1 67 67 THR CA C 64 58.943 58.943 61.318 -2.375 17832 5763 1 15 . 1 1 67 67 THR CB C 64 67.038 67.038 70.042 -3.004 17832 5764 1 15 . 1 1 67 67 THR H H 64 8.196 8.196 7.630 0.566 17832 5765 1 15 . 1 1 68 68 ASP N N 65 122.013 122.013 122.007 0.006 17832 5766 1 15 . 1 1 68 68 ASP C C 65 173.191 173.191 175.985 -2.794 17832 5767 1 15 . 1 1 68 68 ASP CA C 65 51.628 51.628 54.311 -2.683 17832 5768 1 15 . 1 1 68 68 ASP CB C 65 38.495 38.495 41.860 -3.365 17832 5769 1 15 . 1 1 68 68 ASP H H 65 8.307 8.307 8.166 0.141 17832 5770 1 15 . 1 1 69 69 GLU N N 66 121.260 121.260 119.364 1.896 17832 5771 1 15 . 1 1 69 69 GLU HA H 66 4.235 4.235 4.388 -0.153 17832 5772 1 15 . 1 1 69 69 GLU C C 66 172.706 172.706 175.481 -2.775 17832 5773 1 15 . 1 1 69 69 GLU CA C 66 53.881 53.881 56.420 -2.539 17832 5774 1 15 . 1 1 69 69 GLU CB C 66 27.731 27.731 29.703 -1.972 17832 5775 1 15 . 1 1 69 69 GLU H H 66 8.216 8.216 8.542 -0.326 17832 5776 1 16 . 1 1 3 3 MET C C 0 173.346 173.346 174.787 -1.441 17832 5777 1 16 . 1 1 3 3 MET CA C 0 52.930 52.930 55.719 -2.789 17832 5778 1 16 . 1 1 3 3 MET CB C 0 29.966 29.966 34.512 -4.546 17832 5779 1 16 . 1 1 4 4 MET N N 1 121.822 121.822 122.900 -1.078 17832 5780 1 16 . 1 1 4 4 MET HA H 1 4.378 4.378 4.794 -0.416 17832 5781 1 16 . 1 1 4 4 MET C C 1 173.585 173.585 175.568 -1.983 17832 5782 1 16 . 1 1 4 4 MET CA C 1 52.943 52.943 55.634 -2.691 17832 5783 1 16 . 1 1 4 4 MET CB C 1 30.112 30.112 32.567 -2.455 17832 5784 1 16 . 1 1 4 4 MET H H 1 8.553 8.553 8.508 0.045 17832 5785 1 16 . 1 1 5 5 SER N N 2 117.291 117.291 117.716 -0.425 17832 5786 1 16 . 1 1 5 5 SER HA H 2 4.402 4.402 4.637 -0.235 17832 5787 1 16 . 1 1 5 5 SER C C 2 171.427 171.427 173.805 -2.378 17832 5788 1 16 . 1 1 5 5 SER CA C 2 55.920 55.920 58.352 -2.432 17832 5789 1 16 . 1 1 5 5 SER CB C 2 61.033 61.033 63.344 -2.312 17832 5790 1 16 . 1 1 5 5 SER H H 2 8.337 8.337 8.010 0.327 17832 5791 1 16 . 1 1 6 6 LYS N N 3 121.932 121.932 121.613 0.319 17832 5792 1 16 . 1 1 6 6 LYS HA H 3 4.282 4.282 4.002 0.280 17832 5793 1 16 . 1 1 6 6 LYS C C 3 173.822 173.822 175.635 -1.813 17832 5794 1 16 . 1 1 6 6 LYS CA C 3 53.556 53.556 55.214 -1.657 17832 5795 1 16 . 1 1 6 6 LYS CB C 3 30.569 30.569 31.625 -1.056 17832 5796 1 16 . 1 1 6 6 LYS H H 3 8.216 8.216 8.000 0.216 17832 5797 1 16 . 1 1 7 7 LEU N N 4 123.131 123.131 122.214 0.917 17832 5798 1 16 . 1 1 7 7 LEU HA H 4 4.310 4.310 4.386 -0.076 17832 5799 1 16 . 1 1 7 7 LEU C C 4 176.226 176.226 177.230 -1.004 17832 5800 1 16 . 1 1 7 7 LEU CA C 4 52.753 52.753 55.668 -2.915 17832 5801 1 16 . 1 1 7 7 LEU CB C 4 39.626 39.626 43.709 -4.082 17832 5802 1 16 . 1 1 7 7 LEU H H 4 8.301 8.301 8.133 0.168 17832 5803 1 16 . 1 1 8 8 PHE N N 5 122.547 122.547 116.674 5.873 17832 5804 1 16 . 1 1 8 8 PHE HA H 5 4.313 4.313 4.819 -0.506 17832 5805 1 16 . 1 1 8 8 PHE CA C 5 56.963 56.963 56.457 0.506 17832 5806 1 16 . 1 1 8 8 PHE CB C 5 35.205 35.205 36.456 -1.250 17832 5807 1 16 . 1 1 8 8 PHE H H 5 8.764 8.764 7.617 1.147 17832 5808 1 16 . 1 1 9 9 LEU HA H 6 3.079 3.079 4.396 -1.317 17832 5809 1 16 . 1 1 9 9 LEU C C 6 175.830 175.830 176.303 -0.473 17832 5810 1 16 . 1 1 9 9 LEU CA C 6 54.075 54.075 55.517 -1.442 17832 5811 1 16 . 1 1 9 9 LEU CB C 6 38.429 38.429 43.566 -5.137 17832 5812 1 16 . 1 1 10 10 ASP N N 7 116.164 116.164 117.609 -1.445 17832 5813 1 16 . 1 1 10 10 ASP HA H 7 4.294 4.294 4.452 -0.158 17832 5814 1 16 . 1 1 10 10 ASP C C 7 174.240 174.240 177.486 -3.246 17832 5815 1 16 . 1 1 10 10 ASP CA C 7 53.201 53.201 56.197 -2.996 17832 5816 1 16 . 1 1 10 10 ASP CB C 7 37.826 37.826 40.766 -2.940 17832 5817 1 16 . 1 1 10 10 ASP H H 7 7.488 7.488 8.431 -0.943 17832 5818 1 16 . 1 1 11 11 GLU N N 8 116.711 116.711 117.597 -0.886 17832 5819 1 16 . 1 1 11 11 GLU HA H 8 4.296 4.296 4.147 0.149 17832 5820 1 16 . 1 1 11 11 GLU C C 8 173.322 173.322 177.145 -3.823 17832 5821 1 16 . 1 1 11 11 GLU CA C 8 53.231 53.231 57.658 -4.427 17832 5822 1 16 . 1 1 11 11 GLU CB C 8 27.333 27.333 30.218 -2.885 17832 5823 1 16 . 1 1 11 11 GLU H H 8 7.496 7.496 8.148 -0.652 17832 5824 1 16 . 1 1 12 12 LEU N N 9 117.751 117.751 115.267 2.484 17832 5825 1 16 . 1 1 12 12 LEU HA H 9 4.313 4.313 4.757 -0.444 17832 5826 1 16 . 1 1 12 12 LEU C C 9 171.541 171.541 174.984 -3.443 17832 5827 1 16 . 1 1 12 12 LEU CA C 9 49.264 49.264 52.300 -3.036 17832 5828 1 16 . 1 1 12 12 LEU CB C 9 38.581 38.581 40.846 -2.265 17832 5829 1 16 . 1 1 12 12 LEU H H 9 6.803 6.803 7.285 -0.482 17832 5830 1 16 . 1 1 13 13 PRO HA H 10 4.311 4.311 4.319 -0.008 17832 5831 1 16 . 1 1 13 13 PRO C C 10 174.746 174.746 177.504 -2.758 17832 5832 1 16 . 1 1 13 13 PRO CA C 10 60.083 60.083 63.156 -3.073 17832 5833 1 16 . 1 1 13 13 PRO CB C 10 29.131 29.131 32.542 -3.411 17832 5834 1 16 . 1 1 14 14 GLU N N 11 125.693 125.693 121.390 4.303 17832 5835 1 16 . 1 1 14 14 GLU HA H 11 3.854 3.854 4.010 -0.156 17832 5836 1 16 . 1 1 14 14 GLU C C 11 175.180 175.180 178.938 -3.758 17832 5837 1 16 . 1 1 14 14 GLU CA C 11 57.035 57.035 60.016 -2.981 17832 5838 1 16 . 1 1 14 14 GLU CB C 11 26.761 26.761 29.526 -2.765 17832 5839 1 16 . 1 1 14 14 GLU H H 11 8.777 8.777 8.763 0.014 17832 5840 1 16 . 1 1 15 15 SER N N 12 111.734 111.734 115.052 -3.318 17832 5841 1 16 . 1 1 15 15 SER HA H 12 3.884 3.884 4.254 -0.370 17832 5842 1 16 . 1 1 15 15 SER C C 12 173.687 173.687 176.540 -2.853 17832 5843 1 16 . 1 1 15 15 SER CA C 12 58.230 58.230 61.072 -2.842 17832 5844 1 16 . 1 1 15 15 SER CB C 12 58.977 58.977 62.872 -3.895 17832 5845 1 16 . 1 1 15 15 SER H H 12 8.563 8.563 8.365 0.198 17832 5846 1 16 . 1 1 16 16 LEU N N 13 122.925 122.925 120.268 2.657 17832 5847 1 16 . 1 1 16 16 LEU HA H 13 4.081 4.081 4.162 -0.081 17832 5848 1 16 . 1 1 16 16 LEU C C 13 175.385 175.385 178.277 -2.892 17832 5849 1 16 . 1 1 16 16 LEU CA C 13 54.057 54.057 56.639 -2.582 17832 5850 1 16 . 1 1 16 16 LEU CB C 13 39.498 39.498 42.009 -2.511 17832 5851 1 16 . 1 1 16 16 LEU H H 13 6.828 6.828 7.966 -1.138 17832 5852 1 16 . 1 1 17 17 SER N N 14 114.839 114.839 115.761 -0.922 17832 5853 1 16 . 1 1 17 17 SER HA H 14 3.585 3.585 4.055 -0.470 17832 5854 1 16 . 1 1 17 17 SER C C 14 175.435 175.435 176.111 -0.676 17832 5855 1 16 . 1 1 17 17 SER CA C 14 58.835 58.835 63.017 -4.182 17832 5856 1 16 . 1 1 17 17 SER CB C 14 59.345 59.345 62.978 -3.634 17832 5857 1 16 . 1 1 17 17 SER H H 14 8.266 8.266 7.756 0.510 17832 5858 1 16 . 1 1 18 18 ARG N N 15 121.474 121.474 120.173 1.301 17832 5859 1 16 . 1 1 18 18 ARG HA H 15 3.897 3.897 4.016 -0.119 17832 5860 1 16 . 1 1 18 18 ARG C C 15 176.749 176.749 178.288 -1.539 17832 5861 1 16 . 1 1 18 18 ARG CA C 15 56.827 56.827 59.129 -2.301 17832 5862 1 16 . 1 1 18 18 ARG CB C 15 27.154 27.154 29.664 -2.510 17832 5863 1 16 . 1 1 18 18 ARG H H 15 8.385 8.385 7.983 0.402 17832 5864 1 16 . 1 1 19 19 LYS N N 16 119.494 119.494 119.440 0.054 17832 5865 1 16 . 1 1 19 19 LYS HA H 16 3.947 3.947 4.152 -0.205 17832 5866 1 16 . 1 1 19 19 LYS C C 16 177.319 177.319 179.002 -1.683 17832 5867 1 16 . 1 1 19 19 LYS CA C 16 57.412 57.412 59.017 -1.605 17832 5868 1 16 . 1 1 19 19 LYS CB C 16 30.432 30.432 32.422 -1.990 17832 5869 1 16 . 1 1 19 19 LYS H H 16 7.269 7.269 7.589 -0.320 17832 5870 1 16 . 1 1 20 20 ILE N N 17 120.972 120.972 119.490 1.482 17832 5871 1 16 . 1 1 20 20 ILE HA H 17 2.813 2.813 3.876 -1.063 17832 5872 1 16 . 1 1 20 20 ILE C C 17 175.324 175.324 177.734 -2.410 17832 5873 1 16 . 1 1 20 20 ILE CA C 17 63.012 63.012 64.416 -1.404 17832 5874 1 16 . 1 1 20 20 ILE CB C 17 34.710 34.710 38.046 -3.336 17832 5875 1 16 . 1 1 20 20 ILE H H 17 7.993 7.993 7.270 0.723 17832 5876 1 16 . 1 1 21 21 GLY N N 18 106.894 106.894 107.524 -0.630 17832 5877 1 16 . 1 1 21 21 GLY C C 18 173.161 173.161 175.665 -2.504 17832 5878 1 16 . 1 1 21 21 GLY CA C 18 44.450 44.450 47.665 -3.215 17832 5879 1 16 . 1 1 21 21 GLY H H 18 8.259 8.259 8.826 -0.567 17832 5880 1 16 . 1 1 22 22 THR N N 19 113.696 113.696 115.919 -2.223 17832 5881 1 16 . 1 1 22 22 THR HA H 19 3.946 3.946 4.078 -0.132 17832 5882 1 16 . 1 1 22 22 THR C C 19 173.081 173.081 176.030 -2.949 17832 5883 1 16 . 1 1 22 22 THR CA C 19 62.984 62.984 65.786 -2.802 17832 5884 1 16 . 1 1 22 22 THR CB C 19 66.403 66.403 68.966 -2.563 17832 5885 1 16 . 1 1 22 22 THR H H 19 7.502 7.502 7.651 -0.149 17832 5886 1 16 . 1 1 23 23 VAL N N 20 123.120 123.120 119.884 3.236 17832 5887 1 16 . 1 1 23 23 VAL HA H 20 3.649 3.649 3.970 -0.321 17832 5888 1 16 . 1 1 23 23 VAL C C 20 174.858 174.858 177.984 -3.126 17832 5889 1 16 . 1 1 23 23 VAL CA C 20 62.761 62.761 65.266 -2.505 17832 5890 1 16 . 1 1 23 23 VAL CB C 20 29.222 29.222 31.747 -2.525 17832 5891 1 16 . 1 1 23 23 VAL H H 20 7.168 7.168 7.325 -0.157 17832 5892 1 16 . 1 1 24 24 VAL N N 21 119.729 119.729 120.364 -0.635 17832 5893 1 16 . 1 1 24 24 VAL HA H 21 3.541 3.541 3.818 -0.277 17832 5894 1 16 . 1 1 24 24 VAL C C 21 174.410 174.410 177.699 -3.289 17832 5895 1 16 . 1 1 24 24 VAL CA C 21 61.966 61.966 65.318 -3.352 17832 5896 1 16 . 1 1 24 24 VAL CB C 21 29.360 29.360 30.984 -1.624 17832 5897 1 16 . 1 1 24 24 VAL H H 21 8.129 8.129 8.669 -0.540 17832 5898 1 16 . 1 1 25 25 ARG N N 22 116.239 116.239 118.967 -2.728 17832 5899 1 16 . 1 1 25 25 ARG HA H 22 3.952 3.952 4.079 -0.127 17832 5900 1 16 . 1 1 25 25 ARG C C 22 174.899 174.899 177.891 -2.992 17832 5901 1 16 . 1 1 25 25 ARG CA C 22 56.097 56.097 58.648 -2.551 17832 5902 1 16 . 1 1 25 25 ARG CB C 22 27.473 27.473 30.138 -2.665 17832 5903 1 16 . 1 1 25 25 ARG H H 22 7.633 7.633 7.732 -0.099 17832 5904 1 16 . 1 1 26 26 VAL N N 23 115.006 115.006 118.215 -3.209 17832 5905 1 16 . 1 1 26 26 VAL HA H 23 3.995 3.995 3.968 0.027 17832 5906 1 16 . 1 1 26 26 VAL C C 23 173.187 173.187 176.357 -3.170 17832 5907 1 16 . 1 1 26 26 VAL CA C 23 61.107 61.107 64.924 -3.817 17832 5908 1 16 . 1 1 26 26 VAL CB C 23 29.977 29.977 32.488 -2.511 17832 5909 1 16 . 1 1 26 26 VAL H H 23 6.886 6.886 7.496 -0.610 17832 5910 1 16 . 1 1 27 27 LEU N N 24 120.940 120.940 119.895 1.045 17832 5911 1 16 . 1 1 27 27 LEU HA H 24 4.930 4.930 4.904 0.026 17832 5912 1 16 . 1 1 27 27 LEU C C 24 171.363 171.363 175.385 -4.022 17832 5913 1 16 . 1 1 27 27 LEU CA C 24 48.752 48.752 52.446 -3.694 17832 5914 1 16 . 1 1 27 27 LEU CB C 24 40.669 40.669 42.039 -1.370 17832 5915 1 16 . 1 1 27 27 LEU H H 24 8.338 8.338 7.505 0.833 17832 5916 1 16 . 1 1 28 28 PRO HA H 25 4.767 4.767 4.437 0.330 17832 5917 1 16 . 1 1 28 28 PRO C C 25 176.742 176.742 177.523 -0.781 17832 5918 1 16 . 1 1 28 28 PRO CA C 25 63.453 63.453 64.746 -1.293 17832 5919 1 16 . 1 1 28 28 PRO CB C 25 29.004 29.004 31.868 -2.864 17832 5920 1 16 . 1 1 29 29 SER N N 26 111.726 111.726 113.329 -1.603 17832 5921 1 16 . 1 1 29 29 SER HA H 26 4.422 4.422 4.400 0.022 17832 5922 1 16 . 1 1 29 29 SER C C 26 172.811 172.811 175.634 -2.823 17832 5923 1 16 . 1 1 29 29 SER CA C 26 57.331 57.331 58.997 -1.666 17832 5924 1 16 . 1 1 29 29 SER CB C 26 59.552 59.552 63.147 -3.595 17832 5925 1 16 . 1 1 29 29 SER H H 26 8.279 8.279 8.341 -0.062 17832 5926 1 16 . 1 1 30 30 SER N N 27 116.503 116.503 118.963 -2.460 17832 5927 1 16 . 1 1 30 30 SER HA H 27 4.103 4.103 4.051 0.052 17832 5928 1 16 . 1 1 30 30 SER C C 27 174.324 174.324 176.025 -1.701 17832 5929 1 16 . 1 1 30 30 SER CA C 27 58.661 58.661 60.729 -2.068 17832 5930 1 16 . 1 1 30 30 SER CB C 27 61.593 61.593 63.107 -1.514 17832 5931 1 16 . 1 1 30 30 SER H H 27 8.642 8.642 7.953 0.689 17832 5932 1 16 . 1 1 31 31 LEU N N 28 126.322 126.322 121.496 4.826 17832 5933 1 16 . 1 1 31 31 LEU HA H 28 4.281 4.281 4.197 0.083 17832 5934 1 16 . 1 1 31 31 LEU C C 28 175.385 175.385 177.562 -2.177 17832 5935 1 16 . 1 1 31 31 LEU CA C 28 56.992 56.992 58.062 -1.070 17832 5936 1 16 . 1 1 31 31 LEU CB C 28 38.241 38.241 41.686 -3.445 17832 5937 1 16 . 1 1 31 31 LEU H H 28 7.634 7.634 7.606 0.028 17832 5938 1 16 . 1 1 32 32 GLU N N 29 114.812 114.812 118.211 -3.399 17832 5939 1 16 . 1 1 32 32 GLU HA H 29 4.230 4.230 3.762 0.468 17832 5940 1 16 . 1 1 32 32 GLU C C 29 175.711 175.711 178.589 -2.878 17832 5941 1 16 . 1 1 32 32 GLU CA C 29 56.205 56.205 59.428 -3.223 17832 5942 1 16 . 1 1 32 32 GLU CB C 29 26.903 26.903 29.407 -2.504 17832 5943 1 16 . 1 1 32 32 GLU H H 29 8.283 8.283 7.493 0.790 17832 5944 1 16 . 1 1 33 33 ILE N N 30 121.972 121.972 119.150 2.822 17832 5945 1 16 . 1 1 33 33 ILE HA H 30 3.773 3.773 3.634 0.139 17832 5946 1 16 . 1 1 33 33 ILE C C 30 175.177 175.177 177.829 -2.652 17832 5947 1 16 . 1 1 33 33 ILE CA C 30 62.116 62.116 64.641 -2.525 17832 5948 1 16 . 1 1 33 33 ILE CB C 30 35.018 35.018 37.927 -2.909 17832 5949 1 16 . 1 1 33 33 ILE H H 30 7.477 7.477 7.282 0.195 17832 5950 1 16 . 1 1 34 34 PHE N N 31 117.727 117.727 118.219 -0.492 17832 5951 1 16 . 1 1 34 34 PHE HA H 31 4.208 4.208 4.196 0.012 17832 5952 1 16 . 1 1 34 34 PHE C C 31 174.731 174.731 177.864 -3.133 17832 5953 1 16 . 1 1 34 34 PHE CA C 31 61.035 61.035 59.427 1.608 17832 5954 1 16 . 1 1 34 34 PHE CB C 31 36.224 36.224 37.597 -1.373 17832 5955 1 16 . 1 1 34 34 PHE H H 31 8.137 8.137 7.133 1.004 17832 5956 1 16 . 1 1 35 35 GLU N N 32 118.271 118.271 120.374 -2.103 17832 5957 1 16 . 1 1 35 35 GLU HA H 32 2.721 2.721 4.350 -1.629 17832 5958 1 16 . 1 1 35 35 GLU C C 32 174.785 174.785 178.837 -4.052 17832 5959 1 16 . 1 1 35 35 GLU CA C 32 57.304 57.304 60.349 -3.045 17832 5960 1 16 . 1 1 35 35 GLU CB C 32 26.997 26.997 29.340 -2.343 17832 5961 1 16 . 1 1 35 35 GLU H H 32 8.249 8.249 8.662 -0.413 17832 5962 1 16 . 1 1 36 36 GLU N N 33 119.678 119.678 118.497 1.181 17832 5963 1 16 . 1 1 36 36 GLU HA H 33 3.887 3.887 3.957 -0.070 17832 5964 1 16 . 1 1 36 36 GLU C C 33 176.760 176.760 179.103 -2.343 17832 5965 1 16 . 1 1 36 36 GLU CA C 33 57.241 57.241 58.367 -1.126 17832 5966 1 16 . 1 1 36 36 GLU CB C 33 26.806 26.806 29.317 -2.511 17832 5967 1 16 . 1 1 36 36 GLU H H 33 7.971 7.971 7.568 0.403 17832 5968 1 16 . 1 1 37 37 LEU N N 34 120.144 120.144 121.411 -1.267 17832 5969 1 16 . 1 1 37 37 LEU HA H 34 4.280 4.280 4.086 0.194 17832 5970 1 16 . 1 1 37 37 LEU C C 34 174.327 174.327 178.606 -4.279 17832 5971 1 16 . 1 1 37 37 LEU CA C 34 55.502 55.502 57.826 -2.324 17832 5972 1 16 . 1 1 37 37 LEU CB C 34 39.354 39.354 42.253 -2.899 17832 5973 1 16 . 1 1 37 37 LEU H H 34 8.278 8.278 7.543 0.735 17832 5974 1 16 . 1 1 38 38 TYR N N 35 119.703 119.703 117.134 2.569 17832 5975 1 16 . 1 1 38 38 TYR HA H 35 4.070 4.070 4.167 -0.097 17832 5976 1 16 . 1 1 38 38 TYR C C 35 173.298 173.298 177.693 -4.395 17832 5977 1 16 . 1 1 38 38 TYR CA C 35 59.098 59.098 60.290 -1.192 17832 5978 1 16 . 1 1 38 38 TYR CB C 35 36.534 36.534 37.485 -0.951 17832 5979 1 16 . 1 1 38 38 TYR H H 35 8.417 8.417 8.352 0.065 17832 5980 1 16 . 1 1 39 39 LYS N N 36 115.392 115.392 119.330 -3.938 17832 5981 1 16 . 1 1 39 39 LYS HA H 36 3.621 3.621 3.847 -0.226 17832 5982 1 16 . 1 1 39 39 LYS C C 36 176.456 176.456 178.489 -2.033 17832 5983 1 16 . 1 1 39 39 LYS CA C 36 57.011 57.011 58.528 -1.517 17832 5984 1 16 . 1 1 39 39 LYS CB C 36 29.694 29.694 31.973 -2.279 17832 5985 1 16 . 1 1 39 39 LYS H H 36 8.441 8.441 7.069 1.372 17832 5986 1 16 . 1 1 40 40 TYR N N 37 120.325 120.325 120.623 -0.298 17832 5987 1 16 . 1 1 40 40 TYR HA H 37 4.078 4.078 4.126 -0.048 17832 5988 1 16 . 1 1 40 40 TYR C C 37 175.043 175.043 177.670 -2.627 17832 5989 1 16 . 1 1 40 40 TYR CA C 37 58.971 58.971 61.288 -2.317 17832 5990 1 16 . 1 1 40 40 TYR CB C 37 35.875 35.875 38.676 -2.801 17832 5991 1 16 . 1 1 40 40 TYR H H 37 8.344 8.344 7.608 0.736 17832 5992 1 16 . 1 1 41 41 ALA N N 38 121.802 121.802 121.537 0.265 17832 5993 1 16 . 1 1 41 41 ALA HA H 38 3.746 3.746 4.090 -0.344 17832 5994 1 16 . 1 1 41 41 ALA C C 38 175.962 175.962 178.954 -2.992 17832 5995 1 16 . 1 1 41 41 ALA CA C 38 51.780 51.780 54.471 -2.691 17832 5996 1 16 . 1 1 41 41 ALA CB C 38 17.381 17.381 18.083 -0.702 17832 5997 1 16 . 1 1 41 41 ALA H H 38 8.291 8.291 8.018 0.273 17832 5998 1 16 . 1 1 42 42 LEU N N 39 116.563 116.563 118.005 -1.442 17832 5999 1 16 . 1 1 42 42 LEU HA H 39 3.820 3.820 4.026 -0.206 17832 6000 1 16 . 1 1 42 42 LEU C C 39 176.020 176.020 178.043 -2.023 17832 6001 1 16 . 1 1 42 42 LEU CA C 39 54.011 54.011 57.463 -3.452 17832 6002 1 16 . 1 1 42 42 LEU CB C 39 39.796 39.796 42.042 -2.247 17832 6003 1 16 . 1 1 42 42 LEU H H 39 7.865 7.865 7.646 0.219 17832 6004 1 16 . 1 1 43 43 ASN N N 40 115.561 115.561 116.112 -0.551 17832 6005 1 16 . 1 1 43 43 ASN HA H 40 4.436 4.436 4.583 -0.147 17832 6006 1 16 . 1 1 43 43 ASN C C 40 173.390 173.390 177.461 -4.071 17832 6007 1 16 . 1 1 43 43 ASN CA C 40 51.492 51.492 55.049 -3.557 17832 6008 1 16 . 1 1 43 43 ASN CB C 40 36.401 36.401 38.283 -1.882 17832 6009 1 16 . 1 1 43 43 ASN H H 40 7.467 7.467 7.464 0.003 17832 6010 1 16 . 1 1 44 44 GLU N N 41 120.609 120.609 119.385 1.224 17832 6011 1 16 . 1 1 44 44 GLU HA H 41 3.986 3.986 3.962 0.024 17832 6012 1 16 . 1 1 44 44 GLU C C 41 174.161 174.161 177.849 -3.688 17832 6013 1 16 . 1 1 44 44 GLU CA C 41 54.775 54.775 59.317 -4.542 17832 6014 1 16 . 1 1 44 44 GLU CB C 41 27.094 27.094 29.372 -2.278 17832 6015 1 16 . 1 1 44 44 GLU H H 41 7.817 7.817 7.539 0.278 17832 6016 1 16 . 1 1 45 45 ASN N N 42 118.453 118.453 116.405 2.048 17832 6017 1 16 . 1 1 45 45 ASN HA H 42 4.618 4.618 4.649 -0.031 17832 6018 1 16 . 1 1 45 45 ASN C C 42 172.912 172.912 175.877 -2.965 17832 6019 1 16 . 1 1 45 45 ASN CA C 42 50.988 50.988 54.739 -3.751 17832 6020 1 16 . 1 1 45 45 ASN CB C 42 36.267 36.267 38.911 -2.644 17832 6021 1 16 . 1 1 45 45 ASN H H 42 8.087 8.087 7.704 0.383 17832 6022 1 16 . 1 1 46 46 SER N N 43 115.581 115.581 114.894 0.687 17832 6023 1 16 . 1 1 46 46 SER HA H 43 4.292 4.292 4.549 -0.257 17832 6024 1 16 . 1 1 46 46 SER C C 43 172.136 172.136 173.363 -1.227 17832 6025 1 16 . 1 1 46 46 SER CA C 43 56.202 56.202 58.406 -2.204 17832 6026 1 16 . 1 1 46 46 SER CB C 43 60.909 60.909 62.645 -1.736 17832 6027 1 16 . 1 1 46 46 SER H H 43 8.062 8.062 7.322 0.740 17832 6028 1 16 . 1 1 47 47 ASN N N 44 120.517 120.517 118.079 2.438 17832 6029 1 16 . 1 1 47 47 ASN HA H 44 4.617 4.617 4.439 0.178 17832 6030 1 16 . 1 1 47 47 ASN C C 44 172.545 172.545 173.627 -1.082 17832 6031 1 16 . 1 1 47 47 ASN CA C 44 51.174 51.174 54.878 -3.704 17832 6032 1 16 . 1 1 47 47 ASN CB C 44 36.208 36.208 38.594 -2.386 17832 6033 1 16 . 1 1 47 47 ASN H H 44 8.329 8.329 7.878 0.451 17832 6034 1 16 . 1 1 48 48 ASP N N 45 120.294 120.294 120.559 -0.265 17832 6035 1 16 . 1 1 48 48 ASP HA H 45 4.500 4.500 4.725 -0.225 17832 6036 1 16 . 1 1 48 48 ASP C C 45 173.835 173.835 175.900 -2.065 17832 6037 1 16 . 1 1 48 48 ASP CA C 45 52.030 52.030 54.054 -2.024 17832 6038 1 16 . 1 1 48 48 ASP CB C 45 38.326 38.326 41.385 -3.059 17832 6039 1 16 . 1 1 48 48 ASP H H 45 8.220 8.220 8.463 -0.243 17832 6040 1 16 . 1 1 49 49 ARG N N 46 121.139 121.139 122.775 -1.636 17832 6041 1 16 . 1 1 49 49 ARG HA H 46 4.274 4.274 4.295 -0.021 17832 6042 1 16 . 1 1 49 49 ARG C C 46 174.032 174.032 176.003 -1.971 17832 6043 1 16 . 1 1 49 49 ARG CA C 46 53.425 53.425 56.824 -3.398 17832 6044 1 16 . 1 1 49 49 ARG CB C 46 27.615 27.615 30.716 -3.101 17832 6045 1 16 . 1 1 49 49 ARG H H 46 8.180 8.180 8.158 0.022 17832 6046 1 16 . 1 1 50 50 SER N N 47 116.289 116.289 119.060 -2.771 17832 6047 1 16 . 1 1 50 50 SER HA H 47 4.269 4.269 4.337 -0.068 17832 6048 1 16 . 1 1 50 50 SER C C 47 172.337 172.337 173.956 -1.619 17832 6049 1 16 . 1 1 50 50 SER CA C 47 56.379 56.379 58.169 -1.790 17832 6050 1 16 . 1 1 50 50 SER CB C 47 60.970 60.970 63.857 -2.887 17832 6051 1 16 . 1 1 50 50 SER H H 47 8.236 8.236 8.589 -0.353 17832 6052 1 16 . 1 1 51 51 GLU N N 48 122.019 122.019 120.451 1.568 17832 6053 1 16 . 1 1 51 51 GLU HA H 48 4.134 4.134 4.232 -0.098 17832 6054 1 16 . 1 1 51 51 GLU C C 48 174.002 174.002 175.100 -1.098 17832 6055 1 16 . 1 1 51 51 GLU CA C 48 54.285 54.285 57.006 -2.721 17832 6056 1 16 . 1 1 51 51 GLU CB C 48 27.192 27.192 29.743 -2.551 17832 6057 1 16 . 1 1 51 51 GLU H H 48 8.423 8.423 8.433 -0.010 17832 6058 1 16 . 1 1 52 52 HIS N N 49 119.075 119.075 118.763 0.312 17832 6059 1 16 . 1 1 52 52 HIS HA H 49 4.486 4.486 4.727 -0.241 17832 6060 1 16 . 1 1 52 52 HIS C C 49 172.663 172.663 174.696 -2.033 17832 6061 1 16 . 1 1 52 52 HIS CA C 49 53.775 53.775 55.662 -1.887 17832 6062 1 16 . 1 1 52 52 HIS CB C 49 27.714 27.714 31.609 -3.895 17832 6063 1 16 . 1 1 52 52 HIS H H 49 8.117 8.117 8.408 -0.291 17832 6064 1 16 . 1 1 53 53 HIS N N 50 119.483 119.483 118.364 1.119 17832 6065 1 16 . 1 1 53 53 HIS HA H 50 4.538 4.538 4.180 0.358 17832 6066 1 16 . 1 1 53 53 HIS C C 50 172.355 172.355 173.614 -1.259 17832 6067 1 16 . 1 1 53 53 HIS CA C 50 53.433 53.433 56.451 -3.018 17832 6068 1 16 . 1 1 53 53 HIS CB C 50 27.694 27.694 29.862 -2.168 17832 6069 1 16 . 1 1 53 53 HIS H H 50 8.068 8.068 8.473 -0.405 17832 6070 1 16 . 1 1 54 54 LYS N N 51 122.136 122.136 121.301 0.835 17832 6071 1 16 . 1 1 54 54 LYS HA H 51 4.215 4.215 4.012 0.203 17832 6072 1 16 . 1 1 54 54 LYS C C 51 173.474 173.474 174.837 -1.363 17832 6073 1 16 . 1 1 54 54 LYS CA C 51 53.445 53.445 56.905 -3.460 17832 6074 1 16 . 1 1 54 54 LYS CB C 51 30.329 30.329 32.615 -2.286 17832 6075 1 16 . 1 1 54 54 LYS H H 51 8.121 8.121 8.381 -0.260 17832 6076 1 16 . 1 1 55 55 LYS N N 52 124.022 124.022 123.939 0.083 17832 6077 1 16 . 1 1 55 55 LYS HA H 52 4.508 4.508 4.605 -0.097 17832 6078 1 16 . 1 1 55 55 LYS C C 52 171.685 171.685 174.750 -3.065 17832 6079 1 16 . 1 1 55 55 LYS CA C 52 51.516 51.516 54.675 -3.159 17832 6080 1 16 . 1 1 55 55 LYS CB C 52 29.818 29.818 33.280 -3.462 17832 6081 1 16 . 1 1 55 55 LYS H H 52 8.262 8.262 8.339 -0.077 17832 6082 1 16 . 1 1 56 56 PRO HA H 53 4.340 4.340 4.728 -0.388 17832 6083 1 16 . 1 1 56 56 PRO C C 53 173.830 173.830 175.593 -1.763 17832 6084 1 16 . 1 1 56 56 PRO CA C 53 60.496 60.496 62.692 -2.196 17832 6085 1 16 . 1 1 56 56 PRO CB C 53 29.444 29.444 32.669 -3.225 17832 6086 1 16 . 1 1 57 57 ARG N N 54 121.870 121.870 119.067 2.803 17832 6087 1 16 . 1 1 57 57 ARG HA H 54 4.279 4.279 4.561 -0.282 17832 6088 1 16 . 1 1 57 57 ARG C C 54 173.560 173.560 174.979 -1.419 17832 6089 1 16 . 1 1 57 57 ARG CA C 54 53.172 53.172 55.577 -2.405 17832 6090 1 16 . 1 1 57 57 ARG CB C 54 28.273 28.273 32.238 -3.965 17832 6091 1 16 . 1 1 57 57 ARG H H 54 8.396 8.396 8.314 0.082 17832 6092 1 16 . 1 1 58 58 ILE N N 55 122.683 122.683 123.526 -0.843 17832 6093 1 16 . 1 1 58 58 ILE HA H 55 4.117 4.117 4.309 -0.192 17832 6094 1 16 . 1 1 58 58 ILE C C 55 173.034 173.034 175.807 -2.773 17832 6095 1 16 . 1 1 58 58 ILE CA C 55 58.378 58.378 60.953 -2.575 17832 6096 1 16 . 1 1 58 58 ILE CB C 55 36.113 36.113 38.647 -2.534 17832 6097 1 16 . 1 1 58 58 ILE H H 55 8.258 8.258 8.451 -0.193 17832 6098 1 16 . 1 1 59 59 ASP N N 56 123.975 123.975 124.257 -0.282 17832 6099 1 16 . 1 1 59 59 ASP HA H 56 4.581 4.581 4.701 -0.120 17832 6100 1 16 . 1 1 59 59 ASP C C 56 172.780 172.780 175.032 -2.252 17832 6101 1 16 . 1 1 59 59 ASP CA C 56 51.525 51.525 54.389 -2.864 17832 6102 1 16 . 1 1 59 59 ASP CB C 56 38.460 38.460 41.410 -2.950 17832 6103 1 16 . 1 1 59 59 ASP H H 56 8.364 8.364 8.624 -0.260 17832 6104 1 16 . 1 1 60 60 ASP N N 57 121.471 121.471 119.348 2.123 17832 6105 1 16 . 1 1 60 60 ASP HA H 57 4.563 4.563 4.792 -0.229 17832 6106 1 16 . 1 1 60 60 ASP C C 57 173.851 173.851 175.904 -2.053 17832 6107 1 16 . 1 1 60 60 ASP CA C 57 51.586 51.586 52.935 -1.349 17832 6108 1 16 . 1 1 60 60 ASP CB C 57 38.468 38.468 42.471 -4.003 17832 6109 1 16 . 1 1 60 60 ASP H H 57 8.393 8.393 7.875 0.518 17832 6110 1 16 . 1 1 61 61 SER N N 58 116.207 116.207 115.318 0.889 17832 6111 1 16 . 1 1 61 61 SER C C 58 172.389 172.389 174.126 -1.737 17832 6112 1 16 . 1 1 61 61 SER CA C 58 56.129 56.129 58.420 -2.292 17832 6113 1 16 . 1 1 61 61 SER CB C 58 60.945 60.945 63.739 -2.794 17832 6114 1 16 . 1 1 61 61 SER H H 58 8.331 8.331 8.241 0.090 17832 6115 1 16 . 1 1 62 62 SER N N 59 117.805 117.805 117.124 0.681 17832 6116 1 16 . 1 1 62 62 SER C C 59 171.778 171.778 173.277 -1.499 17832 6117 1 16 . 1 1 62 62 SER CA C 59 56.290 56.290 57.868 -1.578 17832 6118 1 16 . 1 1 62 62 SER CB C 59 60.930 60.930 64.468 -3.538 17832 6119 1 16 . 1 1 62 62 SER H H 59 8.334 8.334 8.253 0.081 17832 6120 1 16 . 1 1 63 63 ASP N N 60 122.124 122.124 123.273 -1.149 17832 6121 1 16 . 1 1 63 63 ASP HA H 60 4.512 4.512 4.897 -0.385 17832 6122 1 16 . 1 1 63 63 ASP C C 60 173.550 173.550 175.049 -1.499 17832 6123 1 16 . 1 1 63 63 ASP CA C 60 51.916 51.916 54.021 -2.105 17832 6124 1 16 . 1 1 63 63 ASP CB C 60 38.264 38.264 41.816 -3.552 17832 6125 1 16 . 1 1 63 63 ASP H H 60 8.278 8.278 8.408 -0.130 17832 6126 1 16 . 1 1 64 64 LEU N N 61 121.450 121.450 122.405 -0.955 17832 6127 1 16 . 1 1 64 64 LEU HA H 61 4.223 4.223 4.638 -0.415 17832 6128 1 16 . 1 1 64 64 LEU C C 61 174.603 174.603 176.160 -1.557 17832 6129 1 16 . 1 1 64 64 LEU CA C 61 52.640 52.640 53.940 -1.300 17832 6130 1 16 . 1 1 64 64 LEU CB C 61 39.502 39.502 44.300 -4.798 17832 6131 1 16 . 1 1 64 64 LEU H H 61 7.931 7.931 8.412 -0.481 17832 6132 1 16 . 1 1 65 65 LEU N N 62 122.042 122.042 122.986 -0.944 17832 6133 1 16 . 1 1 65 65 LEU HA H 62 4.273 4.273 4.402 -0.129 17832 6134 1 16 . 1 1 65 65 LEU C C 62 174.372 174.372 177.022 -2.650 17832 6135 1 16 . 1 1 65 65 LEU CA C 62 52.339 52.339 55.554 -3.215 17832 6136 1 16 . 1 1 65 65 LEU CB C 62 39.426 39.426 41.198 -1.772 17832 6137 1 16 . 1 1 65 65 LEU H H 62 8.023 8.023 8.497 -0.474 17832 6138 1 16 . 1 1 66 66 LYS N N 63 122.782 122.782 123.312 -0.530 17832 6139 1 16 . 1 1 66 66 LYS HA H 63 4.349 4.349 4.372 -0.023 17832 6140 1 16 . 1 1 66 66 LYS C C 63 173.936 173.936 176.873 -2.937 17832 6141 1 16 . 1 1 66 66 LYS CA C 63 53.305 53.305 56.346 -3.041 17832 6142 1 16 . 1 1 66 66 LYS CB C 63 30.305 30.305 33.396 -3.091 17832 6143 1 16 . 1 1 66 66 LYS H H 63 8.145 8.145 8.714 -0.569 17832 6144 1 16 . 1 1 67 67 THR N N 64 115.478 115.478 113.893 1.585 17832 6145 1 16 . 1 1 67 67 THR HA H 64 4.298 4.298 4.401 -0.103 17832 6146 1 16 . 1 1 67 67 THR C C 64 171.473 171.473 172.435 -0.962 17832 6147 1 16 . 1 1 67 67 THR CA C 64 58.943 58.943 61.960 -3.017 17832 6148 1 16 . 1 1 67 67 THR CB C 64 67.038 67.038 70.714 -3.676 17832 6149 1 16 . 1 1 67 67 THR H H 64 8.196 8.196 7.429 0.767 17832 6150 1 16 . 1 1 68 68 ASP N N 65 122.013 122.013 122.835 -0.822 17832 6151 1 16 . 1 1 68 68 ASP C C 65 173.191 173.191 175.761 -2.570 17832 6152 1 16 . 1 1 68 68 ASP CA C 65 51.628 51.628 54.506 -2.878 17832 6153 1 16 . 1 1 68 68 ASP CB C 65 38.495 38.495 41.449 -2.954 17832 6154 1 16 . 1 1 68 68 ASP H H 65 8.307 8.307 8.450 -0.143 17832 6155 1 16 . 1 1 69 69 GLU N N 66 121.260 121.260 121.770 -0.510 17832 6156 1 16 . 1 1 69 69 GLU HA H 66 4.235 4.235 4.339 -0.104 17832 6157 1 16 . 1 1 69 69 GLU C C 66 172.706 172.706 175.627 -2.921 17832 6158 1 16 . 1 1 69 69 GLU CA C 66 53.881 53.881 56.529 -2.648 17832 6159 1 16 . 1 1 69 69 GLU CB C 66 27.731 27.731 30.199 -2.468 17832 6160 1 16 . 1 1 69 69 GLU H H 66 8.216 8.216 8.769 -0.553 17832 6161 1 17 . 1 1 3 3 MET C C 0 173.346 173.346 175.122 -1.776 17832 6162 1 17 . 1 1 3 3 MET CA C 0 52.930 52.930 55.028 -2.098 17832 6163 1 17 . 1 1 3 3 MET CB C 0 29.966 29.966 34.325 -4.359 17832 6164 1 17 . 1 1 4 4 MET N N 1 121.822 121.822 120.979 0.843 17832 6165 1 17 . 1 1 4 4 MET HA H 1 4.378 4.378 4.341 0.037 17832 6166 1 17 . 1 1 4 4 MET C C 1 173.585 173.585 174.571 -0.986 17832 6167 1 17 . 1 1 4 4 MET CA C 1 52.943 52.943 56.436 -3.493 17832 6168 1 17 . 1 1 4 4 MET CB C 1 30.112 30.112 31.539 -1.427 17832 6169 1 17 . 1 1 4 4 MET H H 1 8.553 8.553 9.068 -0.515 17832 6170 1 17 . 1 1 5 5 SER N N 2 117.291 117.291 116.187 1.104 17832 6171 1 17 . 1 1 5 5 SER HA H 2 4.402 4.402 4.567 -0.165 17832 6172 1 17 . 1 1 5 5 SER C C 2 171.427 171.427 173.317 -1.890 17832 6173 1 17 . 1 1 5 5 SER CA C 2 55.920 55.920 57.875 -1.955 17832 6174 1 17 . 1 1 5 5 SER CB C 2 61.033 61.033 63.904 -2.871 17832 6175 1 17 . 1 1 5 5 SER H H 2 8.337 8.337 8.048 0.289 17832 6176 1 17 . 1 1 6 6 LYS N N 3 121.932 121.932 124.855 -2.923 17832 6177 1 17 . 1 1 6 6 LYS HA H 3 4.282 4.282 4.444 -0.162 17832 6178 1 17 . 1 1 6 6 LYS C C 3 173.822 173.822 175.736 -1.914 17832 6179 1 17 . 1 1 6 6 LYS CA C 3 53.556 53.556 56.881 -3.325 17832 6180 1 17 . 1 1 6 6 LYS CB C 3 30.569 30.569 32.386 -1.817 17832 6181 1 17 . 1 1 6 6 LYS H H 3 8.216 8.216 8.499 -0.283 17832 6182 1 17 . 1 1 7 7 LEU N N 4 123.131 123.131 126.521 -3.390 17832 6183 1 17 . 1 1 7 7 LEU HA H 4 4.310 4.310 4.582 -0.272 17832 6184 1 17 . 1 1 7 7 LEU C C 4 176.226 176.226 175.802 0.424 17832 6185 1 17 . 1 1 7 7 LEU CA C 4 52.753 52.753 54.903 -2.150 17832 6186 1 17 . 1 1 7 7 LEU CB C 4 39.626 39.626 43.200 -3.574 17832 6187 1 17 . 1 1 7 7 LEU H H 4 8.301 8.301 8.641 -0.340 17832 6188 1 17 . 1 1 8 8 PHE N N 5 122.547 122.547 119.486 3.061 17832 6189 1 17 . 1 1 8 8 PHE HA H 5 4.313 4.313 4.880 -0.567 17832 6190 1 17 . 1 1 8 8 PHE CA C 5 56.963 56.963 58.659 -1.696 17832 6191 1 17 . 1 1 8 8 PHE CB C 5 35.205 35.205 39.886 -4.681 17832 6192 1 17 . 1 1 8 8 PHE H H 5 8.764 8.764 7.804 0.960 17832 6193 1 17 . 1 1 9 9 LEU HA H 6 3.079 3.079 4.295 -1.216 17832 6194 1 17 . 1 1 9 9 LEU C C 6 175.830 175.830 178.592 -2.762 17832 6195 1 17 . 1 1 9 9 LEU CA C 6 54.075 54.075 57.637 -3.562 17832 6196 1 17 . 1 1 9 9 LEU CB C 6 38.429 38.429 41.736 -3.307 17832 6197 1 17 . 1 1 10 10 ASP N N 7 116.164 116.164 116.979 -0.815 17832 6198 1 17 . 1 1 10 10 ASP HA H 7 4.294 4.294 4.447 -0.153 17832 6199 1 17 . 1 1 10 10 ASP C C 7 174.240 174.240 177.264 -3.024 17832 6200 1 17 . 1 1 10 10 ASP CA C 7 53.201 53.201 56.415 -3.214 17832 6201 1 17 . 1 1 10 10 ASP CB C 7 37.826 37.826 40.571 -2.745 17832 6202 1 17 . 1 1 10 10 ASP H H 7 7.488 7.488 8.590 -1.102 17832 6203 1 17 . 1 1 11 11 GLU N N 8 116.711 116.711 117.701 -0.990 17832 6204 1 17 . 1 1 11 11 GLU HA H 8 4.296 4.296 4.274 0.022 17832 6205 1 17 . 1 1 11 11 GLU C C 8 173.322 173.322 177.583 -4.261 17832 6206 1 17 . 1 1 11 11 GLU CA C 8 53.231 53.231 56.891 -3.660 17832 6207 1 17 . 1 1 11 11 GLU CB C 8 27.333 27.333 30.494 -3.161 17832 6208 1 17 . 1 1 11 11 GLU H H 8 7.496 7.496 7.670 -0.174 17832 6209 1 17 . 1 1 12 12 LEU N N 9 117.751 117.751 121.473 -3.722 17832 6210 1 17 . 1 1 12 12 LEU HA H 9 4.313 4.313 4.324 -0.011 17832 6211 1 17 . 1 1 12 12 LEU C C 9 171.541 171.541 175.435 -3.894 17832 6212 1 17 . 1 1 12 12 LEU CA C 9 49.264 49.264 53.520 -4.256 17832 6213 1 17 . 1 1 12 12 LEU CB C 9 38.581 38.581 41.720 -3.139 17832 6214 1 17 . 1 1 12 12 LEU H H 9 6.803 6.803 7.247 -0.444 17832 6215 1 17 . 1 1 13 13 PRO HA H 10 4.311 4.311 4.423 -0.112 17832 6216 1 17 . 1 1 13 13 PRO C C 10 174.746 174.746 176.401 -1.655 17832 6217 1 17 . 1 1 13 13 PRO CA C 10 60.083 60.083 62.779 -2.696 17832 6218 1 17 . 1 1 13 13 PRO CB C 10 29.131 29.131 32.193 -3.062 17832 6219 1 17 . 1 1 14 14 GLU N N 11 125.693 125.693 117.188 8.505 17832 6220 1 17 . 1 1 14 14 GLU HA H 11 3.854 3.854 4.221 -0.367 17832 6221 1 17 . 1 1 14 14 GLU C C 11 175.180 175.180 178.326 -3.146 17832 6222 1 17 . 1 1 14 14 GLU CA C 11 57.035 57.035 59.001 -1.966 17832 6223 1 17 . 1 1 14 14 GLU CB C 11 26.761 26.761 29.476 -2.715 17832 6224 1 17 . 1 1 14 14 GLU H H 11 8.777 8.777 8.545 0.232 17832 6225 1 17 . 1 1 15 15 SER N N 12 111.734 111.734 115.884 -4.150 17832 6226 1 17 . 1 1 15 15 SER HA H 12 3.884 3.884 4.299 -0.415 17832 6227 1 17 . 1 1 15 15 SER C C 12 173.687 173.687 176.566 -2.879 17832 6228 1 17 . 1 1 15 15 SER CA C 12 58.230 58.230 60.399 -2.169 17832 6229 1 17 . 1 1 15 15 SER CB C 12 58.977 58.977 62.970 -3.993 17832 6230 1 17 . 1 1 15 15 SER H H 12 8.563 8.563 8.213 0.350 17832 6231 1 17 . 1 1 16 16 LEU N N 13 122.925 122.925 120.135 2.790 17832 6232 1 17 . 1 1 16 16 LEU HA H 13 4.081 4.081 4.200 -0.119 17832 6233 1 17 . 1 1 16 16 LEU C C 13 175.385 175.385 178.665 -3.280 17832 6234 1 17 . 1 1 16 16 LEU CA C 13 54.057 54.057 56.859 -2.802 17832 6235 1 17 . 1 1 16 16 LEU CB C 13 39.498 39.498 41.907 -2.409 17832 6236 1 17 . 1 1 16 16 LEU H H 13 6.828 6.828 8.023 -1.195 17832 6237 1 17 . 1 1 17 17 SER N N 14 114.839 114.839 115.437 -0.598 17832 6238 1 17 . 1 1 17 17 SER HA H 14 3.585 3.585 4.129 -0.544 17832 6239 1 17 . 1 1 17 17 SER C C 14 175.435 175.435 176.814 -1.379 17832 6240 1 17 . 1 1 17 17 SER CA C 14 58.835 58.835 61.720 -2.885 17832 6241 1 17 . 1 1 17 17 SER CB C 14 59.345 59.345 62.793 -3.448 17832 6242 1 17 . 1 1 17 17 SER H H 14 8.266 8.266 7.989 0.277 17832 6243 1 17 . 1 1 18 18 ARG N N 15 121.474 121.474 120.560 0.914 17832 6244 1 17 . 1 1 18 18 ARG HA H 15 3.897 3.897 4.111 -0.214 17832 6245 1 17 . 1 1 18 18 ARG C C 15 176.749 176.749 178.376 -1.627 17832 6246 1 17 . 1 1 18 18 ARG CA C 15 56.827 56.827 59.521 -2.694 17832 6247 1 17 . 1 1 18 18 ARG CB C 15 27.154 27.154 30.141 -2.987 17832 6248 1 17 . 1 1 18 18 ARG H H 15 8.385 8.385 7.595 0.790 17832 6249 1 17 . 1 1 19 19 LYS N N 16 119.494 119.494 119.936 -0.442 17832 6250 1 17 . 1 1 19 19 LYS HA H 16 3.947 3.947 4.058 -0.111 17832 6251 1 17 . 1 1 19 19 LYS C C 16 177.319 177.319 179.109 -1.790 17832 6252 1 17 . 1 1 19 19 LYS CA C 16 57.412 57.412 59.382 -1.970 17832 6253 1 17 . 1 1 19 19 LYS CB C 16 30.432 30.432 32.139 -1.707 17832 6254 1 17 . 1 1 19 19 LYS H H 16 7.269 7.269 7.528 -0.259 17832 6255 1 17 . 1 1 20 20 ILE N N 17 120.972 120.972 118.757 2.215 17832 6256 1 17 . 1 1 20 20 ILE HA H 17 2.813 2.813 3.797 -0.984 17832 6257 1 17 . 1 1 20 20 ILE C C 17 175.324 175.324 177.739 -2.415 17832 6258 1 17 . 1 1 20 20 ILE CA C 17 63.012 63.012 64.594 -1.582 17832 6259 1 17 . 1 1 20 20 ILE CB C 17 34.710 34.710 37.743 -3.033 17832 6260 1 17 . 1 1 20 20 ILE H H 17 7.993 7.993 8.160 -0.167 17832 6261 1 17 . 1 1 21 21 GLY N N 18 106.894 106.894 107.598 -0.704 17832 6262 1 17 . 1 1 21 21 GLY C C 18 173.161 173.161 175.925 -2.764 17832 6263 1 17 . 1 1 21 21 GLY CA C 18 44.450 44.450 47.261 -2.811 17832 6264 1 17 . 1 1 21 21 GLY H H 18 8.259 8.259 7.910 0.349 17832 6265 1 17 . 1 1 22 22 THR N N 19 113.696 113.696 116.291 -2.595 17832 6266 1 17 . 1 1 22 22 THR HA H 19 3.946 3.946 4.193 -0.247 17832 6267 1 17 . 1 1 22 22 THR C C 19 173.081 173.081 175.977 -2.896 17832 6268 1 17 . 1 1 22 22 THR CA C 19 62.984 62.984 65.089 -2.105 17832 6269 1 17 . 1 1 22 22 THR CB C 19 66.403 66.403 68.786 -2.383 17832 6270 1 17 . 1 1 22 22 THR H H 19 7.502 7.502 7.444 0.058 17832 6271 1 17 . 1 1 23 23 VAL N N 20 123.120 123.120 120.344 2.776 17832 6272 1 17 . 1 1 23 23 VAL HA H 20 3.649 3.649 3.833 -0.184 17832 6273 1 17 . 1 1 23 23 VAL C C 20 174.858 174.858 178.207 -3.349 17832 6274 1 17 . 1 1 23 23 VAL CA C 20 62.761 62.761 65.954 -3.193 17832 6275 1 17 . 1 1 23 23 VAL CB C 20 29.222 29.222 32.083 -2.861 17832 6276 1 17 . 1 1 23 23 VAL H H 20 7.168 7.168 7.288 -0.120 17832 6277 1 17 . 1 1 24 24 VAL N N 21 119.729 119.729 118.664 1.065 17832 6278 1 17 . 1 1 24 24 VAL HA H 21 3.541 3.541 3.723 -0.182 17832 6279 1 17 . 1 1 24 24 VAL C C 21 174.410 174.410 177.087 -2.677 17832 6280 1 17 . 1 1 24 24 VAL CA C 21 61.966 61.966 65.867 -3.901 17832 6281 1 17 . 1 1 24 24 VAL CB C 21 29.360 29.360 31.343 -1.983 17832 6282 1 17 . 1 1 24 24 VAL H H 21 8.129 8.129 8.353 -0.224 17832 6283 1 17 . 1 1 25 25 ARG N N 22 116.239 116.239 119.036 -2.797 17832 6284 1 17 . 1 1 25 25 ARG HA H 22 3.952 3.952 4.013 -0.061 17832 6285 1 17 . 1 1 25 25 ARG C C 22 174.899 174.899 177.332 -2.433 17832 6286 1 17 . 1 1 25 25 ARG CA C 22 56.097 56.097 58.617 -2.520 17832 6287 1 17 . 1 1 25 25 ARG CB C 22 27.473 27.473 30.236 -2.763 17832 6288 1 17 . 1 1 25 25 ARG H H 22 7.633 7.633 7.492 0.141 17832 6289 1 17 . 1 1 26 26 VAL N N 23 115.006 115.006 116.925 -1.919 17832 6290 1 17 . 1 1 26 26 VAL HA H 23 3.995 3.995 3.949 0.046 17832 6291 1 17 . 1 1 26 26 VAL C C 23 173.187 173.187 176.713 -3.526 17832 6292 1 17 . 1 1 26 26 VAL CA C 23 61.107 61.107 64.435 -3.328 17832 6293 1 17 . 1 1 26 26 VAL CB C 23 29.977 29.977 32.770 -2.793 17832 6294 1 17 . 1 1 26 26 VAL H H 23 6.886 6.886 7.611 -0.725 17832 6295 1 17 . 1 1 27 27 LEU N N 24 120.940 120.940 119.795 1.145 17832 6296 1 17 . 1 1 27 27 LEU HA H 24 4.930 4.930 4.840 0.090 17832 6297 1 17 . 1 1 27 27 LEU C C 24 171.363 171.363 174.477 -3.114 17832 6298 1 17 . 1 1 27 27 LEU CA C 24 48.752 48.752 52.703 -3.951 17832 6299 1 17 . 1 1 27 27 LEU CB C 24 40.669 40.669 42.850 -2.181 17832 6300 1 17 . 1 1 27 27 LEU H H 24 8.338 8.338 7.254 1.084 17832 6301 1 17 . 1 1 28 28 PRO HA H 25 4.767 4.767 4.166 0.601 17832 6302 1 17 . 1 1 28 28 PRO C C 25 176.742 176.742 178.412 -1.670 17832 6303 1 17 . 1 1 28 28 PRO CA C 25 63.453 63.453 65.389 -1.936 17832 6304 1 17 . 1 1 28 28 PRO CB C 25 29.004 29.004 31.744 -2.740 17832 6305 1 17 . 1 1 29 29 SER N N 26 111.726 111.726 112.355 -0.629 17832 6306 1 17 . 1 1 29 29 SER HA H 26 4.422 4.422 4.281 0.141 17832 6307 1 17 . 1 1 29 29 SER C C 26 172.811 172.811 176.794 -3.983 17832 6308 1 17 . 1 1 29 29 SER CA C 26 57.331 57.331 60.953 -3.622 17832 6309 1 17 . 1 1 29 29 SER CB C 26 59.552 59.552 62.717 -3.165 17832 6310 1 17 . 1 1 29 29 SER H H 26 8.279 8.279 8.369 -0.090 17832 6311 1 17 . 1 1 30 30 SER N N 27 116.503 116.503 118.536 -2.033 17832 6312 1 17 . 1 1 30 30 SER HA H 27 4.103 4.103 4.232 -0.129 17832 6313 1 17 . 1 1 30 30 SER C C 27 174.324 174.324 176.831 -2.507 17832 6314 1 17 . 1 1 30 30 SER CA C 27 58.661 58.661 60.853 -2.192 17832 6315 1 17 . 1 1 30 30 SER CB C 27 61.593 61.593 62.874 -1.281 17832 6316 1 17 . 1 1 30 30 SER H H 27 8.642 8.642 7.444 1.198 17832 6317 1 17 . 1 1 31 31 LEU N N 28 126.322 126.322 122.742 3.580 17832 6318 1 17 . 1 1 31 31 LEU HA H 28 4.281 4.281 4.262 0.019 17832 6319 1 17 . 1 1 31 31 LEU C C 28 175.385 175.385 177.669 -2.284 17832 6320 1 17 . 1 1 31 31 LEU CA C 28 56.992 56.992 58.150 -1.158 17832 6321 1 17 . 1 1 31 31 LEU CB C 28 38.241 38.241 41.527 -3.286 17832 6322 1 17 . 1 1 31 31 LEU H H 28 7.634 7.634 8.123 -0.489 17832 6323 1 17 . 1 1 32 32 GLU N N 29 114.812 114.812 118.651 -3.839 17832 6324 1 17 . 1 1 32 32 GLU HA H 29 4.230 4.230 4.047 0.183 17832 6325 1 17 . 1 1 32 32 GLU C C 29 175.711 175.711 179.147 -3.436 17832 6326 1 17 . 1 1 32 32 GLU CA C 29 56.205 56.205 59.460 -3.255 17832 6327 1 17 . 1 1 32 32 GLU CB C 29 26.903 26.903 29.185 -2.282 17832 6328 1 17 . 1 1 32 32 GLU H H 29 8.283 8.283 7.589 0.694 17832 6329 1 17 . 1 1 33 33 ILE N N 30 121.972 121.972 119.225 2.747 17832 6330 1 17 . 1 1 33 33 ILE HA H 30 3.773 3.773 3.618 0.155 17832 6331 1 17 . 1 1 33 33 ILE C C 30 175.177 175.177 178.040 -2.863 17832 6332 1 17 . 1 1 33 33 ILE CA C 30 62.116 62.116 64.793 -2.677 17832 6333 1 17 . 1 1 33 33 ILE CB C 30 35.018 35.018 37.609 -2.591 17832 6334 1 17 . 1 1 33 33 ILE H H 30 7.477 7.477 7.731 -0.254 17832 6335 1 17 . 1 1 34 34 PHE N N 31 117.727 117.727 117.918 -0.191 17832 6336 1 17 . 1 1 34 34 PHE HA H 31 4.208 4.208 4.276 -0.068 17832 6337 1 17 . 1 1 34 34 PHE C C 31 174.731 174.731 177.947 -3.216 17832 6338 1 17 . 1 1 34 34 PHE CA C 31 61.035 61.035 60.770 0.265 17832 6339 1 17 . 1 1 34 34 PHE CB C 31 36.224 36.224 37.979 -1.755 17832 6340 1 17 . 1 1 34 34 PHE H H 31 8.137 8.137 7.177 0.960 17832 6341 1 17 . 1 1 35 35 GLU N N 32 118.271 118.271 120.774 -2.503 17832 6342 1 17 . 1 1 35 35 GLU HA H 32 2.721 2.721 4.549 -1.828 17832 6343 1 17 . 1 1 35 35 GLU C C 32 174.785 174.785 179.474 -4.689 17832 6344 1 17 . 1 1 35 35 GLU CA C 32 57.304 57.304 60.594 -3.290 17832 6345 1 17 . 1 1 35 35 GLU CB C 32 26.997 26.997 29.578 -2.581 17832 6346 1 17 . 1 1 35 35 GLU H H 32 8.249 8.249 8.748 -0.499 17832 6347 1 17 . 1 1 36 36 GLU N N 33 119.678 119.678 118.811 0.867 17832 6348 1 17 . 1 1 36 36 GLU HA H 33 3.887 3.887 4.266 -0.379 17832 6349 1 17 . 1 1 36 36 GLU C C 33 176.760 176.760 179.230 -2.470 17832 6350 1 17 . 1 1 36 36 GLU CA C 33 57.241 57.241 58.596 -1.355 17832 6351 1 17 . 1 1 36 36 GLU CB C 33 26.806 26.806 29.910 -3.104 17832 6352 1 17 . 1 1 36 36 GLU H H 33 7.971 7.971 7.796 0.175 17832 6353 1 17 . 1 1 37 37 LEU N N 34 120.144 120.144 121.744 -1.600 17832 6354 1 17 . 1 1 37 37 LEU HA H 34 4.280 4.280 4.224 0.056 17832 6355 1 17 . 1 1 37 37 LEU C C 34 174.327 174.327 178.795 -4.468 17832 6356 1 17 . 1 1 37 37 LEU CA C 34 55.502 55.502 57.809 -2.307 17832 6357 1 17 . 1 1 37 37 LEU CB C 34 39.354 39.354 42.520 -3.166 17832 6358 1 17 . 1 1 37 37 LEU H H 34 8.278 8.278 7.603 0.675 17832 6359 1 17 . 1 1 38 38 TYR N N 35 119.703 119.703 118.193 1.510 17832 6360 1 17 . 1 1 38 38 TYR HA H 35 4.070 4.070 4.217 -0.147 17832 6361 1 17 . 1 1 38 38 TYR C C 35 173.298 173.298 177.196 -3.898 17832 6362 1 17 . 1 1 38 38 TYR CA C 35 59.098 59.098 60.497 -1.399 17832 6363 1 17 . 1 1 38 38 TYR CB C 35 36.534 36.534 37.733 -1.199 17832 6364 1 17 . 1 1 38 38 TYR H H 35 8.417 8.417 9.163 -0.746 17832 6365 1 17 . 1 1 39 39 LYS N N 36 115.392 115.392 119.120 -3.728 17832 6366 1 17 . 1 1 39 39 LYS HA H 36 3.621 3.621 3.354 0.267 17832 6367 1 17 . 1 1 39 39 LYS C C 36 176.456 176.456 177.980 -1.524 17832 6368 1 17 . 1 1 39 39 LYS CA C 36 57.011 57.011 58.774 -1.763 17832 6369 1 17 . 1 1 39 39 LYS CB C 36 29.694 29.694 31.445 -1.751 17832 6370 1 17 . 1 1 39 39 LYS H H 36 8.441 8.441 7.284 1.157 17832 6371 1 17 . 1 1 40 40 TYR N N 37 120.325 120.325 121.475 -1.150 17832 6372 1 17 . 1 1 40 40 TYR HA H 37 4.078 4.078 4.019 0.059 17832 6373 1 17 . 1 1 40 40 TYR C C 37 175.043 175.043 177.155 -2.112 17832 6374 1 17 . 1 1 40 40 TYR CA C 37 58.971 58.971 61.506 -2.535 17832 6375 1 17 . 1 1 40 40 TYR CB C 37 35.875 35.875 38.471 -2.596 17832 6376 1 17 . 1 1 40 40 TYR H H 37 8.344 8.344 7.561 0.783 17832 6377 1 17 . 1 1 41 41 ALA N N 38 121.802 121.802 120.474 1.328 17832 6378 1 17 . 1 1 41 41 ALA HA H 38 3.746 3.746 3.949 -0.203 17832 6379 1 17 . 1 1 41 41 ALA C C 38 175.962 175.962 179.283 -3.321 17832 6380 1 17 . 1 1 41 41 ALA CA C 38 51.780 51.780 54.455 -2.675 17832 6381 1 17 . 1 1 41 41 ALA CB C 38 17.381 17.381 18.138 -0.757 17832 6382 1 17 . 1 1 41 41 ALA H H 38 8.291 8.291 7.636 0.655 17832 6383 1 17 . 1 1 42 42 LEU N N 39 116.563 116.563 119.051 -2.488 17832 6384 1 17 . 1 1 42 42 LEU HA H 39 3.820 3.820 3.819 0.001 17832 6385 1 17 . 1 1 42 42 LEU C C 39 176.020 176.020 179.007 -2.987 17832 6386 1 17 . 1 1 42 42 LEU CA C 39 54.011 54.011 57.828 -3.817 17832 6387 1 17 . 1 1 42 42 LEU CB C 39 39.796 39.796 41.752 -1.956 17832 6388 1 17 . 1 1 42 42 LEU H H 39 7.865 7.865 7.631 0.234 17832 6389 1 17 . 1 1 43 43 ASN N N 40 115.561 115.561 116.618 -1.057 17832 6390 1 17 . 1 1 43 43 ASN HA H 40 4.436 4.436 4.498 -0.062 17832 6391 1 17 . 1 1 43 43 ASN C C 40 173.390 173.390 177.568 -4.178 17832 6392 1 17 . 1 1 43 43 ASN CA C 40 51.492 51.492 55.329 -3.837 17832 6393 1 17 . 1 1 43 43 ASN CB C 40 36.401 36.401 37.655 -1.254 17832 6394 1 17 . 1 1 43 43 ASN H H 40 7.467 7.467 7.834 -0.367 17832 6395 1 17 . 1 1 44 44 GLU N N 41 120.609 120.609 119.887 0.722 17832 6396 1 17 . 1 1 44 44 GLU HA H 41 3.986 3.986 3.890 0.096 17832 6397 1 17 . 1 1 44 44 GLU C C 41 174.161 174.161 177.792 -3.631 17832 6398 1 17 . 1 1 44 44 GLU CA C 41 54.775 54.775 59.051 -4.277 17832 6399 1 17 . 1 1 44 44 GLU CB C 41 27.094 27.094 29.088 -1.994 17832 6400 1 17 . 1 1 44 44 GLU H H 41 7.817 7.817 7.414 0.403 17832 6401 1 17 . 1 1 45 45 ASN N N 42 118.453 118.453 115.566 2.887 17832 6402 1 17 . 1 1 45 45 ASN HA H 42 4.618 4.618 4.650 -0.032 17832 6403 1 17 . 1 1 45 45 ASN C C 42 172.912 172.912 176.495 -3.583 17832 6404 1 17 . 1 1 45 45 ASN CA C 42 50.988 50.988 54.600 -3.612 17832 6405 1 17 . 1 1 45 45 ASN CB C 42 36.267 36.267 38.944 -2.677 17832 6406 1 17 . 1 1 45 45 ASN H H 42 8.087 8.087 7.651 0.436 17832 6407 1 17 . 1 1 46 46 SER N N 43 115.581 115.581 115.672 -0.091 17832 6408 1 17 . 1 1 46 46 SER HA H 43 4.292 4.292 4.372 -0.080 17832 6409 1 17 . 1 1 46 46 SER C C 43 172.136 172.136 174.187 -2.051 17832 6410 1 17 . 1 1 46 46 SER CA C 43 56.202 56.202 60.213 -4.011 17832 6411 1 17 . 1 1 46 46 SER CB C 43 60.909 60.909 64.303 -3.394 17832 6412 1 17 . 1 1 46 46 SER H H 43 8.062 8.062 7.616 0.446 17832 6413 1 17 . 1 1 47 47 ASN N N 44 120.517 120.517 116.593 3.924 17832 6414 1 17 . 1 1 47 47 ASN HA H 44 4.617 4.617 4.790 -0.173 17832 6415 1 17 . 1 1 47 47 ASN C C 44 172.545 172.545 173.466 -0.921 17832 6416 1 17 . 1 1 47 47 ASN CA C 44 51.174 51.174 54.223 -3.049 17832 6417 1 17 . 1 1 47 47 ASN CB C 44 36.208 36.208 40.830 -4.622 17832 6418 1 17 . 1 1 47 47 ASN H H 44 8.329 8.329 8.075 0.254 17832 6419 1 17 . 1 1 48 48 ASP N N 45 120.294 120.294 122.917 -2.623 17832 6420 1 17 . 1 1 48 48 ASP HA H 45 4.500 4.500 4.634 -0.134 17832 6421 1 17 . 1 1 48 48 ASP C C 45 173.835 173.835 175.582 -1.747 17832 6422 1 17 . 1 1 48 48 ASP CA C 45 52.030 52.030 54.567 -2.537 17832 6423 1 17 . 1 1 48 48 ASP CB C 45 38.326 38.326 40.601 -2.275 17832 6424 1 17 . 1 1 48 48 ASP H H 45 8.220 8.220 8.686 -0.466 17832 6425 1 17 . 1 1 49 49 ARG N N 46 121.139 121.139 118.909 2.230 17832 6426 1 17 . 1 1 49 49 ARG HA H 46 4.274 4.274 4.322 -0.048 17832 6427 1 17 . 1 1 49 49 ARG C C 46 174.032 174.032 176.613 -2.581 17832 6428 1 17 . 1 1 49 49 ARG CA C 46 53.425 53.425 56.576 -3.151 17832 6429 1 17 . 1 1 49 49 ARG CB C 46 27.615 27.615 31.152 -3.537 17832 6430 1 17 . 1 1 49 49 ARG H H 46 8.180 8.180 7.927 0.253 17832 6431 1 17 . 1 1 50 50 SER N N 47 116.289 116.289 114.374 1.915 17832 6432 1 17 . 1 1 50 50 SER HA H 47 4.269 4.269 4.182 0.087 17832 6433 1 17 . 1 1 50 50 SER C C 47 172.337 172.337 173.321 -0.984 17832 6434 1 17 . 1 1 50 50 SER CA C 47 56.379 56.379 60.593 -4.214 17832 6435 1 17 . 1 1 50 50 SER CB C 47 60.970 60.970 62.732 -1.762 17832 6436 1 17 . 1 1 50 50 SER H H 47 8.236 8.236 8.305 -0.069 17832 6437 1 17 . 1 1 51 51 GLU N N 48 122.019 122.019 119.844 2.175 17832 6438 1 17 . 1 1 51 51 GLU HA H 48 4.134 4.134 4.487 -0.353 17832 6439 1 17 . 1 1 51 51 GLU C C 48 174.002 174.002 174.662 -0.660 17832 6440 1 17 . 1 1 51 51 GLU CA C 48 54.285 54.285 56.441 -2.156 17832 6441 1 17 . 1 1 51 51 GLU CB C 48 27.192 27.192 32.281 -5.089 17832 6442 1 17 . 1 1 51 51 GLU H H 48 8.423 8.423 8.525 -0.102 17832 6443 1 17 . 1 1 52 52 HIS N N 49 119.075 119.075 121.837 -2.762 17832 6444 1 17 . 1 1 52 52 HIS HA H 49 4.486 4.486 4.623 -0.137 17832 6445 1 17 . 1 1 52 52 HIS C C 49 172.663 172.663 174.621 -1.958 17832 6446 1 17 . 1 1 52 52 HIS CA C 49 53.775 53.775 56.315 -2.540 17832 6447 1 17 . 1 1 52 52 HIS CB C 49 27.714 27.714 31.209 -3.494 17832 6448 1 17 . 1 1 52 52 HIS H H 49 8.117 8.117 8.610 -0.493 17832 6449 1 17 . 1 1 53 53 HIS N N 50 119.483 119.483 122.905 -3.422 17832 6450 1 17 . 1 1 53 53 HIS HA H 50 4.538 4.538 4.458 0.080 17832 6451 1 17 . 1 1 53 53 HIS C C 50 172.355 172.355 174.788 -2.433 17832 6452 1 17 . 1 1 53 53 HIS CA C 50 53.433 53.433 56.627 -3.194 17832 6453 1 17 . 1 1 53 53 HIS CB C 50 27.694 27.694 28.617 -0.923 17832 6454 1 17 . 1 1 53 53 HIS H H 50 8.068 8.068 8.599 -0.531 17832 6455 1 17 . 1 1 54 54 LYS N N 51 122.136 122.136 125.519 -3.383 17832 6456 1 17 . 1 1 54 54 LYS HA H 51 4.215 4.215 4.593 -0.378 17832 6457 1 17 . 1 1 54 54 LYS C C 51 173.474 173.474 174.949 -1.475 17832 6458 1 17 . 1 1 54 54 LYS CA C 51 53.445 53.445 55.504 -2.059 17832 6459 1 17 . 1 1 54 54 LYS CB C 51 30.329 30.329 34.103 -3.774 17832 6460 1 17 . 1 1 54 54 LYS H H 51 8.121 8.121 8.001 0.120 17832 6461 1 17 . 1 1 55 55 LYS N N 52 124.022 124.022 123.838 0.184 17832 6462 1 17 . 1 1 55 55 LYS HA H 52 4.508 4.508 4.773 -0.265 17832 6463 1 17 . 1 1 55 55 LYS C C 52 171.685 171.685 174.843 -3.158 17832 6464 1 17 . 1 1 55 55 LYS CA C 52 51.516 51.516 53.124 -1.608 17832 6465 1 17 . 1 1 55 55 LYS CB C 52 29.818 29.818 32.475 -2.657 17832 6466 1 17 . 1 1 55 55 LYS H H 52 8.262 8.262 8.468 -0.206 17832 6467 1 17 . 1 1 56 56 PRO HA H 53 4.340 4.340 4.532 -0.192 17832 6468 1 17 . 1 1 56 56 PRO C C 53 173.830 173.830 176.061 -2.231 17832 6469 1 17 . 1 1 56 56 PRO CA C 53 60.496 60.496 63.382 -2.886 17832 6470 1 17 . 1 1 56 56 PRO CB C 53 29.444 29.444 30.218 -0.774 17832 6471 1 17 . 1 1 57 57 ARG N N 54 121.870 121.870 120.265 1.605 17832 6472 1 17 . 1 1 57 57 ARG HA H 54 4.279 4.279 4.466 -0.187 17832 6473 1 17 . 1 1 57 57 ARG C C 54 173.560 173.560 174.897 -1.337 17832 6474 1 17 . 1 1 57 57 ARG CA C 54 53.172 53.172 56.454 -3.282 17832 6475 1 17 . 1 1 57 57 ARG CB C 54 28.273 28.273 31.656 -3.383 17832 6476 1 17 . 1 1 57 57 ARG H H 54 8.396 8.396 8.508 -0.112 17832 6477 1 17 . 1 1 58 58 ILE N N 55 122.683 122.683 118.475 4.208 17832 6478 1 17 . 1 1 58 58 ILE HA H 55 4.117 4.117 4.212 -0.095 17832 6479 1 17 . 1 1 58 58 ILE C C 55 173.034 173.034 176.674 -3.640 17832 6480 1 17 . 1 1 58 58 ILE CA C 55 58.378 58.378 62.054 -3.676 17832 6481 1 17 . 1 1 58 58 ILE CB C 55 36.113 36.113 39.013 -2.900 17832 6482 1 17 . 1 1 58 58 ILE H H 55 8.258 8.258 8.239 0.019 17832 6483 1 17 . 1 1 59 59 ASP N N 56 123.975 123.975 120.683 3.292 17832 6484 1 17 . 1 1 59 59 ASP HA H 56 4.581 4.581 4.441 0.140 17832 6485 1 17 . 1 1 59 59 ASP C C 56 172.780 172.780 176.745 -3.965 17832 6486 1 17 . 1 1 59 59 ASP CA C 56 51.525 51.525 55.018 -3.493 17832 6487 1 17 . 1 1 59 59 ASP CB C 56 38.460 38.460 41.216 -2.756 17832 6488 1 17 . 1 1 59 59 ASP H H 56 8.364 8.364 8.503 -0.139 17832 6489 1 17 . 1 1 60 60 ASP N N 57 121.471 121.471 118.285 3.186 17832 6490 1 17 . 1 1 60 60 ASP HA H 57 4.563 4.563 4.380 0.183 17832 6491 1 17 . 1 1 60 60 ASP C C 57 173.851 173.851 175.213 -1.362 17832 6492 1 17 . 1 1 60 60 ASP CA C 57 51.586 51.586 55.003 -3.417 17832 6493 1 17 . 1 1 60 60 ASP CB C 57 38.468 38.468 40.115 -1.647 17832 6494 1 17 . 1 1 60 60 ASP H H 57 8.393 8.393 8.666 -0.273 17832 6495 1 17 . 1 1 61 61 SER N N 58 116.207 116.207 110.228 5.979 17832 6496 1 17 . 1 1 61 61 SER C C 58 172.389 172.389 174.222 -1.833 17832 6497 1 17 . 1 1 61 61 SER CA C 58 56.129 56.129 58.748 -2.619 17832 6498 1 17 . 1 1 61 61 SER CB C 58 60.945 60.945 63.823 -2.878 17832 6499 1 17 . 1 1 61 61 SER H H 58 8.331 8.331 7.812 0.519 17832 6500 1 17 . 1 1 62 62 SER N N 59 117.805 117.805 120.712 -2.907 17832 6501 1 17 . 1 1 62 62 SER C C 59 171.778 171.778 173.609 -1.831 17832 6502 1 17 . 1 1 62 62 SER CA C 59 56.290 56.290 59.333 -3.043 17832 6503 1 17 . 1 1 62 62 SER CB C 59 60.930 60.930 63.027 -2.097 17832 6504 1 17 . 1 1 62 62 SER H H 59 8.334 8.334 8.234 0.100 17832 6505 1 17 . 1 1 63 63 ASP N N 60 122.124 122.124 124.049 -1.925 17832 6506 1 17 . 1 1 63 63 ASP HA H 60 4.512 4.512 4.610 -0.098 17832 6507 1 17 . 1 1 63 63 ASP C C 60 173.550 173.550 174.924 -1.374 17832 6508 1 17 . 1 1 63 63 ASP CA C 60 51.916 51.916 54.117 -2.201 17832 6509 1 17 . 1 1 63 63 ASP CB C 60 38.264 38.264 42.049 -3.785 17832 6510 1 17 . 1 1 63 63 ASP H H 60 8.278 8.278 8.330 -0.052 17832 6511 1 17 . 1 1 64 64 LEU N N 61 121.450 121.450 122.530 -1.080 17832 6512 1 17 . 1 1 64 64 LEU HA H 61 4.223 4.223 4.049 0.174 17832 6513 1 17 . 1 1 64 64 LEU C C 61 174.603 174.603 175.248 -0.645 17832 6514 1 17 . 1 1 64 64 LEU CA C 61 52.640 52.640 55.582 -2.942 17832 6515 1 17 . 1 1 64 64 LEU CB C 61 39.502 39.502 42.547 -3.045 17832 6516 1 17 . 1 1 64 64 LEU H H 61 7.931 7.931 8.333 -0.402 17832 6517 1 17 . 1 1 65 65 LEU N N 62 122.042 122.042 124.347 -2.305 17832 6518 1 17 . 1 1 65 65 LEU HA H 62 4.273 4.273 4.628 -0.355 17832 6519 1 17 . 1 1 65 65 LEU C C 62 174.372 174.372 176.932 -2.560 17832 6520 1 17 . 1 1 65 65 LEU CA C 62 52.339 52.339 54.630 -2.291 17832 6521 1 17 . 1 1 65 65 LEU CB C 62 39.426 39.426 43.958 -4.532 17832 6522 1 17 . 1 1 65 65 LEU H H 62 8.023 8.023 8.291 -0.268 17832 6523 1 17 . 1 1 66 66 LYS N N 63 122.782 122.782 119.170 3.612 17832 6524 1 17 . 1 1 66 66 LYS HA H 63 4.349 4.349 4.466 -0.117 17832 6525 1 17 . 1 1 66 66 LYS C C 63 173.936 173.936 176.184 -2.248 17832 6526 1 17 . 1 1 66 66 LYS CA C 63 53.305 53.305 57.140 -3.835 17832 6527 1 17 . 1 1 66 66 LYS CB C 63 30.305 30.305 32.865 -2.560 17832 6528 1 17 . 1 1 66 66 LYS H H 63 8.145 8.145 8.471 -0.326 17832 6529 1 17 . 1 1 67 67 THR N N 64 115.478 115.478 116.640 -1.162 17832 6530 1 17 . 1 1 67 67 THR HA H 64 4.298 4.298 4.374 -0.076 17832 6531 1 17 . 1 1 67 67 THR C C 64 171.473 171.473 173.952 -2.479 17832 6532 1 17 . 1 1 67 67 THR CA C 64 58.943 58.943 62.468 -3.525 17832 6533 1 17 . 1 1 67 67 THR CB C 64 67.038 67.038 69.417 -2.379 17832 6534 1 17 . 1 1 67 67 THR H H 64 8.196 8.196 7.653 0.543 17832 6535 1 17 . 1 1 68 68 ASP N N 65 122.013 122.013 121.758 0.255 17832 6536 1 17 . 1 1 68 68 ASP C C 65 173.191 173.191 175.145 -1.954 17832 6537 1 17 . 1 1 68 68 ASP CA C 65 51.628 51.628 53.497 -1.869 17832 6538 1 17 . 1 1 68 68 ASP CB C 65 38.495 38.495 43.226 -4.731 17832 6539 1 17 . 1 1 68 68 ASP H H 65 8.307 8.307 8.371 -0.064 17832 6540 1 17 . 1 1 69 69 GLU N N 66 121.260 121.260 123.000 -1.740 17832 6541 1 17 . 1 1 69 69 GLU HA H 66 4.235 4.235 4.597 -0.362 17832 6542 1 17 . 1 1 69 69 GLU C C 66 172.706 172.706 175.687 -2.981 17832 6543 1 17 . 1 1 69 69 GLU CA C 66 53.881 53.881 56.375 -2.494 17832 6544 1 17 . 1 1 69 69 GLU CB C 66 27.731 27.731 29.619 -1.888 17832 6545 1 17 . 1 1 69 69 GLU H H 66 8.216 8.216 8.616 -0.400 17832 6546 1 18 . 1 1 3 3 MET C C 0 173.346 173.346 175.424 -2.078 17832 6547 1 18 . 1 1 3 3 MET CA C 0 52.930 52.930 55.362 -2.432 17832 6548 1 18 . 1 1 3 3 MET CB C 0 29.966 29.966 33.196 -3.230 17832 6549 1 18 . 1 1 4 4 MET N N 1 121.822 121.822 120.346 1.476 17832 6550 1 18 . 1 1 4 4 MET HA H 1 4.378 4.378 4.558 -0.180 17832 6551 1 18 . 1 1 4 4 MET C C 1 173.585 173.585 176.329 -2.744 17832 6552 1 18 . 1 1 4 4 MET CA C 1 52.943 52.943 55.598 -2.655 17832 6553 1 18 . 1 1 4 4 MET CB C 1 30.112 30.112 34.151 -4.039 17832 6554 1 18 . 1 1 4 4 MET H H 1 8.553 8.553 8.483 0.070 17832 6555 1 18 . 1 1 5 5 SER N N 2 117.291 117.291 113.257 4.034 17832 6556 1 18 . 1 1 5 5 SER HA H 2 4.402 4.402 4.494 -0.092 17832 6557 1 18 . 1 1 5 5 SER C C 2 171.427 171.427 172.825 -1.398 17832 6558 1 18 . 1 1 5 5 SER CA C 2 55.920 55.920 58.282 -2.362 17832 6559 1 18 . 1 1 5 5 SER CB C 2 61.033 61.033 64.151 -3.118 17832 6560 1 18 . 1 1 5 5 SER H H 2 8.337 8.337 7.780 0.557 17832 6561 1 18 . 1 1 6 6 LYS N N 3 121.932 121.932 120.722 1.210 17832 6562 1 18 . 1 1 6 6 LYS HA H 3 4.282 4.282 3.951 0.331 17832 6563 1 18 . 1 1 6 6 LYS C C 3 173.822 173.822 175.303 -1.481 17832 6564 1 18 . 1 1 6 6 LYS CA C 3 53.556 53.556 56.814 -3.258 17832 6565 1 18 . 1 1 6 6 LYS CB C 3 30.569 30.569 32.293 -1.724 17832 6566 1 18 . 1 1 6 6 LYS H H 3 8.216 8.216 8.336 -0.120 17832 6567 1 18 . 1 1 7 7 LEU N N 4 123.131 123.131 118.250 4.881 17832 6568 1 18 . 1 1 7 7 LEU HA H 4 4.310 4.310 4.599 -0.289 17832 6569 1 18 . 1 1 7 7 LEU C C 4 176.226 176.226 176.686 -0.460 17832 6570 1 18 . 1 1 7 7 LEU CA C 4 52.753 52.753 56.135 -3.382 17832 6571 1 18 . 1 1 7 7 LEU CB C 4 39.626 39.626 42.479 -2.853 17832 6572 1 18 . 1 1 7 7 LEU H H 4 8.301 8.301 7.894 0.407 17832 6573 1 18 . 1 1 8 8 PHE N N 5 122.547 122.547 115.706 6.841 17832 6574 1 18 . 1 1 8 8 PHE HA H 5 4.313 4.313 4.642 -0.329 17832 6575 1 18 . 1 1 8 8 PHE CA C 5 56.963 56.963 57.962 -0.999 17832 6576 1 18 . 1 1 8 8 PHE CB C 5 35.205 35.205 38.143 -2.938 17832 6577 1 18 . 1 1 8 8 PHE H H 5 8.764 8.764 7.510 1.254 17832 6578 1 18 . 1 1 9 9 LEU HA H 6 3.079 3.079 4.311 -1.232 17832 6579 1 18 . 1 1 9 9 LEU C C 6 175.830 175.830 176.151 -0.321 17832 6580 1 18 . 1 1 9 9 LEU CA C 6 54.075 54.075 55.984 -1.909 17832 6581 1 18 . 1 1 9 9 LEU CB C 6 38.429 38.429 41.442 -3.013 17832 6582 1 18 . 1 1 10 10 ASP N N 7 116.164 116.164 116.425 -0.261 17832 6583 1 18 . 1 1 10 10 ASP HA H 7 4.294 4.294 4.634 -0.340 17832 6584 1 18 . 1 1 10 10 ASP C C 7 174.240 174.240 176.219 -1.979 17832 6585 1 18 . 1 1 10 10 ASP CA C 7 53.201 53.201 54.185 -0.984 17832 6586 1 18 . 1 1 10 10 ASP CB C 7 37.826 37.826 40.383 -2.557 17832 6587 1 18 . 1 1 10 10 ASP H H 7 7.488 7.488 7.969 -0.481 17832 6588 1 18 . 1 1 11 11 GLU N N 8 116.711 116.711 118.563 -1.852 17832 6589 1 18 . 1 1 11 11 GLU HA H 8 4.296 4.296 4.402 -0.106 17832 6590 1 18 . 1 1 11 11 GLU C C 8 173.322 173.322 177.058 -3.736 17832 6591 1 18 . 1 1 11 11 GLU CA C 8 53.231 53.231 56.944 -3.713 17832 6592 1 18 . 1 1 11 11 GLU CB C 8 27.333 27.333 31.302 -3.969 17832 6593 1 18 . 1 1 11 11 GLU H H 8 7.496 7.496 7.866 -0.370 17832 6594 1 18 . 1 1 12 12 LEU N N 9 117.751 117.751 120.153 -2.402 17832 6595 1 18 . 1 1 12 12 LEU HA H 9 4.313 4.313 4.650 -0.337 17832 6596 1 18 . 1 1 12 12 LEU C C 9 171.541 171.541 174.917 -3.376 17832 6597 1 18 . 1 1 12 12 LEU CA C 9 49.264 49.264 52.907 -3.643 17832 6598 1 18 . 1 1 12 12 LEU CB C 9 38.581 38.581 40.752 -2.171 17832 6599 1 18 . 1 1 12 12 LEU H H 9 6.803 6.803 7.634 -0.831 17832 6600 1 18 . 1 1 13 13 PRO HA H 10 4.311 4.311 4.352 -0.041 17832 6601 1 18 . 1 1 13 13 PRO C C 10 174.746 174.746 177.332 -2.586 17832 6602 1 18 . 1 1 13 13 PRO CA C 10 60.083 60.083 62.793 -2.710 17832 6603 1 18 . 1 1 13 13 PRO CB C 10 29.131 29.131 32.598 -3.467 17832 6604 1 18 . 1 1 14 14 GLU N N 11 125.693 125.693 121.410 4.283 17832 6605 1 18 . 1 1 14 14 GLU HA H 11 3.854 3.854 4.071 -0.217 17832 6606 1 18 . 1 1 14 14 GLU C C 11 175.180 175.180 178.631 -3.451 17832 6607 1 18 . 1 1 14 14 GLU CA C 11 57.035 57.035 59.412 -2.377 17832 6608 1 18 . 1 1 14 14 GLU CB C 11 26.761 26.761 29.479 -2.718 17832 6609 1 18 . 1 1 14 14 GLU H H 11 8.777 8.777 8.840 -0.063 17832 6610 1 18 . 1 1 15 15 SER N N 12 111.734 111.734 115.233 -3.499 17832 6611 1 18 . 1 1 15 15 SER HA H 12 3.884 3.884 4.270 -0.386 17832 6612 1 18 . 1 1 15 15 SER C C 12 173.687 173.687 176.560 -2.873 17832 6613 1 18 . 1 1 15 15 SER CA C 12 58.230 58.230 60.982 -2.752 17832 6614 1 18 . 1 1 15 15 SER CB C 12 58.977 58.977 62.704 -3.727 17832 6615 1 18 . 1 1 15 15 SER H H 12 8.563 8.563 8.287 0.276 17832 6616 1 18 . 1 1 16 16 LEU N N 13 122.925 122.925 120.633 2.292 17832 6617 1 18 . 1 1 16 16 LEU HA H 13 4.081 4.081 4.241 -0.160 17832 6618 1 18 . 1 1 16 16 LEU C C 13 175.385 175.385 178.480 -3.095 17832 6619 1 18 . 1 1 16 16 LEU CA C 13 54.057 54.057 56.414 -2.357 17832 6620 1 18 . 1 1 16 16 LEU CB C 13 39.498 39.498 42.072 -2.574 17832 6621 1 18 . 1 1 16 16 LEU H H 13 6.828 6.828 7.839 -1.011 17832 6622 1 18 . 1 1 17 17 SER N N 14 114.839 114.839 115.649 -0.810 17832 6623 1 18 . 1 1 17 17 SER HA H 14 3.585 3.585 4.088 -0.503 17832 6624 1 18 . 1 1 17 17 SER C C 14 175.435 175.435 176.701 -1.266 17832 6625 1 18 . 1 1 17 17 SER CA C 14 58.835 58.835 61.822 -2.987 17832 6626 1 18 . 1 1 17 17 SER CB C 14 59.345 59.345 62.822 -3.477 17832 6627 1 18 . 1 1 17 17 SER H H 14 8.266 8.266 7.826 0.440 17832 6628 1 18 . 1 1 18 18 ARG N N 15 121.474 121.474 120.237 1.237 17832 6629 1 18 . 1 1 18 18 ARG HA H 15 3.897 3.897 4.083 -0.186 17832 6630 1 18 . 1 1 18 18 ARG C C 15 176.749 176.749 178.772 -2.023 17832 6631 1 18 . 1 1 18 18 ARG CA C 15 56.827 56.827 59.102 -2.276 17832 6632 1 18 . 1 1 18 18 ARG CB C 15 27.154 27.154 29.981 -2.827 17832 6633 1 18 . 1 1 18 18 ARG H H 15 8.385 8.385 7.674 0.711 17832 6634 1 18 . 1 1 19 19 LYS N N 16 119.494 119.494 119.947 -0.453 17832 6635 1 18 . 1 1 19 19 LYS HA H 16 3.947 3.947 4.182 -0.235 17832 6636 1 18 . 1 1 19 19 LYS C C 16 177.319 177.319 178.952 -1.633 17832 6637 1 18 . 1 1 19 19 LYS CA C 16 57.412 57.412 58.719 -1.308 17832 6638 1 18 . 1 1 19 19 LYS CB C 16 30.432 30.432 32.295 -1.863 17832 6639 1 18 . 1 1 19 19 LYS H H 16 7.269 7.269 7.679 -0.410 17832 6640 1 18 . 1 1 20 20 ILE N N 17 120.972 120.972 120.229 0.743 17832 6641 1 18 . 1 1 20 20 ILE HA H 17 2.813 2.813 3.877 -1.064 17832 6642 1 18 . 1 1 20 20 ILE C C 17 175.324 175.324 177.644 -2.320 17832 6643 1 18 . 1 1 20 20 ILE CA C 17 63.012 63.012 64.959 -1.947 17832 6644 1 18 . 1 1 20 20 ILE CB C 17 34.710 34.710 38.001 -3.291 17832 6645 1 18 . 1 1 20 20 ILE H H 17 7.993 7.993 7.686 0.307 17832 6646 1 18 . 1 1 21 21 GLY N N 18 106.894 106.894 106.513 0.381 17832 6647 1 18 . 1 1 21 21 GLY C C 18 173.161 173.161 176.392 -3.231 17832 6648 1 18 . 1 1 21 21 GLY CA C 18 44.450 44.450 47.595 -3.145 17832 6649 1 18 . 1 1 21 21 GLY H H 18 8.259 8.259 8.758 -0.499 17832 6650 1 18 . 1 1 22 22 THR N N 19 113.696 113.696 116.298 -2.602 17832 6651 1 18 . 1 1 22 22 THR HA H 19 3.946 3.946 4.224 -0.278 17832 6652 1 18 . 1 1 22 22 THR C C 19 173.081 173.081 175.829 -2.748 17832 6653 1 18 . 1 1 22 22 THR CA C 19 62.984 62.984 65.079 -2.095 17832 6654 1 18 . 1 1 22 22 THR CB C 19 66.403 66.403 68.926 -2.523 17832 6655 1 18 . 1 1 22 22 THR H H 19 7.502 7.502 7.521 -0.019 17832 6656 1 18 . 1 1 23 23 VAL N N 20 123.120 123.120 120.640 2.480 17832 6657 1 18 . 1 1 23 23 VAL HA H 20 3.649 3.649 4.023 -0.374 17832 6658 1 18 . 1 1 23 23 VAL C C 20 174.858 174.858 177.796 -2.938 17832 6659 1 18 . 1 1 23 23 VAL CA C 20 62.761 62.761 64.615 -1.854 17832 6660 1 18 . 1 1 23 23 VAL CB C 20 29.222 29.222 32.105 -2.883 17832 6661 1 18 . 1 1 23 23 VAL H H 20 7.168 7.168 7.323 -0.155 17832 6662 1 18 . 1 1 24 24 VAL N N 21 119.729 119.729 120.460 -0.731 17832 6663 1 18 . 1 1 24 24 VAL HA H 21 3.541 3.541 3.763 -0.222 17832 6664 1 18 . 1 1 24 24 VAL C C 21 174.410 174.410 177.123 -2.713 17832 6665 1 18 . 1 1 24 24 VAL CA C 21 61.966 61.966 66.160 -4.194 17832 6666 1 18 . 1 1 24 24 VAL CB C 21 29.360 29.360 31.452 -2.092 17832 6667 1 18 . 1 1 24 24 VAL H H 21 8.129 8.129 8.656 -0.527 17832 6668 1 18 . 1 1 25 25 ARG N N 22 116.239 116.239 118.657 -2.418 17832 6669 1 18 . 1 1 25 25 ARG HA H 22 3.952 3.952 4.060 -0.108 17832 6670 1 18 . 1 1 25 25 ARG C C 22 174.899 174.899 177.749 -2.850 17832 6671 1 18 . 1 1 25 25 ARG CA C 22 56.097 56.097 58.930 -2.833 17832 6672 1 18 . 1 1 25 25 ARG CB C 22 27.473 27.473 30.136 -2.663 17832 6673 1 18 . 1 1 25 25 ARG H H 22 7.633 7.633 7.744 -0.111 17832 6674 1 18 . 1 1 26 26 VAL N N 23 115.006 115.006 117.361 -2.355 17832 6675 1 18 . 1 1 26 26 VAL HA H 23 3.995 3.995 3.935 0.060 17832 6676 1 18 . 1 1 26 26 VAL C C 23 173.187 173.187 176.588 -3.401 17832 6677 1 18 . 1 1 26 26 VAL CA C 23 61.107 61.107 65.334 -4.227 17832 6678 1 18 . 1 1 26 26 VAL CB C 23 29.977 29.977 32.816 -2.839 17832 6679 1 18 . 1 1 26 26 VAL H H 23 6.886 6.886 7.643 -0.757 17832 6680 1 18 . 1 1 27 27 LEU N N 24 120.940 120.940 119.929 1.011 17832 6681 1 18 . 1 1 27 27 LEU HA H 24 4.930 4.930 4.841 0.089 17832 6682 1 18 . 1 1 27 27 LEU C C 24 171.363 171.363 175.086 -3.723 17832 6683 1 18 . 1 1 27 27 LEU CA C 24 48.752 48.752 51.870 -3.118 17832 6684 1 18 . 1 1 27 27 LEU CB C 24 40.669 40.669 42.646 -1.977 17832 6685 1 18 . 1 1 27 27 LEU H H 24 8.338 8.338 7.381 0.957 17832 6686 1 18 . 1 1 28 28 PRO HA H 25 4.767 4.767 4.494 0.273 17832 6687 1 18 . 1 1 28 28 PRO C C 25 176.742 176.742 178.169 -1.427 17832 6688 1 18 . 1 1 28 28 PRO CA C 25 63.453 63.453 65.122 -1.669 17832 6689 1 18 . 1 1 28 28 PRO CB C 25 29.004 29.004 31.916 -2.912 17832 6690 1 18 . 1 1 29 29 SER N N 26 111.726 111.726 113.984 -2.258 17832 6691 1 18 . 1 1 29 29 SER HA H 26 4.422 4.422 4.296 0.126 17832 6692 1 18 . 1 1 29 29 SER C C 26 172.811 172.811 176.601 -3.790 17832 6693 1 18 . 1 1 29 29 SER CA C 26 57.331 57.331 59.913 -2.582 17832 6694 1 18 . 1 1 29 29 SER CB C 26 59.552 59.552 62.438 -2.886 17832 6695 1 18 . 1 1 29 29 SER H H 26 8.279 8.279 8.590 -0.311 17832 6696 1 18 . 1 1 30 30 SER N N 27 116.503 116.503 120.094 -3.591 17832 6697 1 18 . 1 1 30 30 SER HA H 27 4.103 4.103 4.070 0.033 17832 6698 1 18 . 1 1 30 30 SER C C 27 174.324 174.324 176.351 -2.027 17832 6699 1 18 . 1 1 30 30 SER CA C 27 58.661 58.661 60.971 -2.310 17832 6700 1 18 . 1 1 30 30 SER CB C 27 61.593 61.593 62.830 -1.237 17832 6701 1 18 . 1 1 30 30 SER H H 27 8.642 8.642 7.977 0.665 17832 6702 1 18 . 1 1 31 31 LEU N N 28 126.322 126.322 122.231 4.091 17832 6703 1 18 . 1 1 31 31 LEU HA H 28 4.281 4.281 4.130 0.151 17832 6704 1 18 . 1 1 31 31 LEU C C 28 175.385 175.385 177.595 -2.210 17832 6705 1 18 . 1 1 31 31 LEU CA C 28 56.992 56.992 57.776 -0.784 17832 6706 1 18 . 1 1 31 31 LEU CB C 28 38.241 38.241 41.855 -3.614 17832 6707 1 18 . 1 1 31 31 LEU H H 28 7.634 7.634 7.800 -0.166 17832 6708 1 18 . 1 1 32 32 GLU N N 29 114.812 114.812 118.808 -3.996 17832 6709 1 18 . 1 1 32 32 GLU HA H 29 4.230 4.230 3.856 0.374 17832 6710 1 18 . 1 1 32 32 GLU C C 29 175.711 175.711 179.132 -3.421 17832 6711 1 18 . 1 1 32 32 GLU CA C 29 56.205 56.205 59.261 -3.056 17832 6712 1 18 . 1 1 32 32 GLU CB C 29 26.903 26.903 29.456 -2.553 17832 6713 1 18 . 1 1 32 32 GLU H H 29 8.283 8.283 7.620 0.663 17832 6714 1 18 . 1 1 33 33 ILE N N 30 121.972 121.972 119.367 2.605 17832 6715 1 18 . 1 1 33 33 ILE HA H 30 3.773 3.773 3.662 0.111 17832 6716 1 18 . 1 1 33 33 ILE C C 30 175.177 175.177 177.842 -2.665 17832 6717 1 18 . 1 1 33 33 ILE CA C 30 62.116 62.116 64.646 -2.530 17832 6718 1 18 . 1 1 33 33 ILE CB C 30 35.018 35.018 37.814 -2.796 17832 6719 1 18 . 1 1 33 33 ILE H H 30 7.477 7.477 8.215 -0.738 17832 6720 1 18 . 1 1 34 34 PHE N N 31 117.727 117.727 118.823 -1.096 17832 6721 1 18 . 1 1 34 34 PHE HA H 31 4.208 4.208 4.200 0.008 17832 6722 1 18 . 1 1 34 34 PHE C C 31 174.731 174.731 177.819 -3.088 17832 6723 1 18 . 1 1 34 34 PHE CA C 31 61.035 61.035 59.914 1.121 17832 6724 1 18 . 1 1 34 34 PHE CB C 31 36.224 36.224 37.923 -1.699 17832 6725 1 18 . 1 1 34 34 PHE H H 31 8.137 8.137 7.029 1.108 17832 6726 1 18 . 1 1 35 35 GLU N N 32 118.271 118.271 119.947 -1.676 17832 6727 1 18 . 1 1 35 35 GLU HA H 32 2.721 2.721 4.240 -1.519 17832 6728 1 18 . 1 1 35 35 GLU C C 32 174.785 174.785 178.304 -3.519 17832 6729 1 18 . 1 1 35 35 GLU CA C 32 57.304 57.304 60.352 -3.048 17832 6730 1 18 . 1 1 35 35 GLU CB C 32 26.997 26.997 29.322 -2.325 17832 6731 1 18 . 1 1 35 35 GLU H H 32 8.249 8.249 8.842 -0.593 17832 6732 1 18 . 1 1 36 36 GLU N N 33 119.678 119.678 118.470 1.208 17832 6733 1 18 . 1 1 36 36 GLU HA H 33 3.887 3.887 3.989 -0.102 17832 6734 1 18 . 1 1 36 36 GLU C C 33 176.760 176.760 179.042 -2.282 17832 6735 1 18 . 1 1 36 36 GLU CA C 33 57.241 57.241 58.264 -1.023 17832 6736 1 18 . 1 1 36 36 GLU CB C 33 26.806 26.806 29.424 -2.618 17832 6737 1 18 . 1 1 36 36 GLU H H 33 7.971 7.971 7.590 0.381 17832 6738 1 18 . 1 1 37 37 LEU N N 34 120.144 120.144 121.691 -1.547 17832 6739 1 18 . 1 1 37 37 LEU HA H 34 4.280 4.280 4.040 0.240 17832 6740 1 18 . 1 1 37 37 LEU C C 34 174.327 174.327 178.687 -4.360 17832 6741 1 18 . 1 1 37 37 LEU CA C 34 55.502 55.502 57.925 -2.423 17832 6742 1 18 . 1 1 37 37 LEU CB C 34 39.354 39.354 42.169 -2.815 17832 6743 1 18 . 1 1 37 37 LEU H H 34 8.278 8.278 7.649 0.629 17832 6744 1 18 . 1 1 38 38 TYR N N 35 119.703 119.703 117.531 2.172 17832 6745 1 18 . 1 1 38 38 TYR HA H 35 4.070 4.070 4.132 -0.062 17832 6746 1 18 . 1 1 38 38 TYR C C 35 173.298 173.298 177.353 -4.055 17832 6747 1 18 . 1 1 38 38 TYR CA C 35 59.098 59.098 60.369 -1.271 17832 6748 1 18 . 1 1 38 38 TYR CB C 35 36.534 36.534 37.501 -0.967 17832 6749 1 18 . 1 1 38 38 TYR H H 35 8.417 8.417 8.276 0.141 17832 6750 1 18 . 1 1 39 39 LYS N N 36 115.392 115.392 118.318 -2.926 17832 6751 1 18 . 1 1 39 39 LYS HA H 36 3.621 3.621 3.927 -0.306 17832 6752 1 18 . 1 1 39 39 LYS C C 36 176.456 176.456 178.546 -2.090 17832 6753 1 18 . 1 1 39 39 LYS CA C 36 57.011 57.011 58.252 -1.240 17832 6754 1 18 . 1 1 39 39 LYS CB C 36 29.694 29.694 32.218 -2.524 17832 6755 1 18 . 1 1 39 39 LYS H H 36 8.441 8.441 6.838 1.603 17832 6756 1 18 . 1 1 40 40 TYR N N 37 120.325 120.325 120.330 -0.005 17832 6757 1 18 . 1 1 40 40 TYR HA H 37 4.078 4.078 4.113 -0.035 17832 6758 1 18 . 1 1 40 40 TYR C C 37 175.043 175.043 176.960 -1.917 17832 6759 1 18 . 1 1 40 40 TYR CA C 37 58.971 58.971 61.067 -2.096 17832 6760 1 18 . 1 1 40 40 TYR CB C 37 35.875 35.875 38.663 -2.788 17832 6761 1 18 . 1 1 40 40 TYR H H 37 8.344 8.344 7.739 0.605 17832 6762 1 18 . 1 1 41 41 ALA N N 38 121.802 121.802 120.630 1.172 17832 6763 1 18 . 1 1 41 41 ALA HA H 38 3.746 3.746 4.202 -0.456 17832 6764 1 18 . 1 1 41 41 ALA C C 38 175.962 175.962 178.758 -2.796 17832 6765 1 18 . 1 1 41 41 ALA CA C 38 51.780 51.780 54.469 -2.689 17832 6766 1 18 . 1 1 41 41 ALA CB C 38 17.381 17.381 18.066 -0.685 17832 6767 1 18 . 1 1 41 41 ALA H H 38 8.291 8.291 8.211 0.080 17832 6768 1 18 . 1 1 42 42 LEU N N 39 116.563 116.563 116.831 -0.268 17832 6769 1 18 . 1 1 42 42 LEU HA H 39 3.820 3.820 4.179 -0.359 17832 6770 1 18 . 1 1 42 42 LEU C C 39 176.020 176.020 178.656 -2.636 17832 6771 1 18 . 1 1 42 42 LEU CA C 39 54.011 54.011 57.245 -3.234 17832 6772 1 18 . 1 1 42 42 LEU CB C 39 39.796 39.796 42.059 -2.263 17832 6773 1 18 . 1 1 42 42 LEU H H 39 7.865 7.865 7.393 0.472 17832 6774 1 18 . 1 1 43 43 ASN N N 40 115.561 115.561 116.841 -1.280 17832 6775 1 18 . 1 1 43 43 ASN HA H 40 4.436 4.436 4.526 -0.090 17832 6776 1 18 . 1 1 43 43 ASN C C 40 173.390 173.390 176.919 -3.529 17832 6777 1 18 . 1 1 43 43 ASN CA C 40 51.492 51.492 55.739 -4.247 17832 6778 1 18 . 1 1 43 43 ASN CB C 40 36.401 36.401 39.140 -2.739 17832 6779 1 18 . 1 1 43 43 ASN H H 40 7.467 7.467 7.537 -0.070 17832 6780 1 18 . 1 1 44 44 GLU N N 41 120.609 120.609 119.335 1.274 17832 6781 1 18 . 1 1 44 44 GLU HA H 41 3.986 3.986 4.006 -0.020 17832 6782 1 18 . 1 1 44 44 GLU C C 41 174.161 174.161 177.057 -2.896 17832 6783 1 18 . 1 1 44 44 GLU CA C 41 54.775 54.775 58.554 -3.779 17832 6784 1 18 . 1 1 44 44 GLU CB C 41 27.094 27.094 28.970 -1.876 17832 6785 1 18 . 1 1 44 44 GLU H H 41 7.817 7.817 7.782 0.035 17832 6786 1 18 . 1 1 45 45 ASN N N 42 118.453 118.453 116.510 1.943 17832 6787 1 18 . 1 1 45 45 ASN HA H 42 4.618 4.618 4.431 0.187 17832 6788 1 18 . 1 1 45 45 ASN C C 42 172.912 172.912 175.861 -2.949 17832 6789 1 18 . 1 1 45 45 ASN CA C 42 50.988 50.988 53.759 -2.771 17832 6790 1 18 . 1 1 45 45 ASN CB C 42 36.267 36.267 37.972 -1.706 17832 6791 1 18 . 1 1 45 45 ASN H H 42 8.087 8.087 7.769 0.318 17832 6792 1 18 . 1 1 46 46 SER N N 43 115.581 115.581 113.455 2.126 17832 6793 1 18 . 1 1 46 46 SER HA H 43 4.292 4.292 4.161 0.131 17832 6794 1 18 . 1 1 46 46 SER C C 43 172.136 172.136 173.439 -1.303 17832 6795 1 18 . 1 1 46 46 SER CA C 43 56.202 56.202 58.951 -2.749 17832 6796 1 18 . 1 1 46 46 SER CB C 43 60.909 60.909 63.376 -2.467 17832 6797 1 18 . 1 1 46 46 SER H H 43 8.062 8.062 7.923 0.139 17832 6798 1 18 . 1 1 47 47 ASN N N 44 120.517 120.517 119.176 1.341 17832 6799 1 18 . 1 1 47 47 ASN HA H 44 4.617 4.617 4.803 -0.186 17832 6800 1 18 . 1 1 47 47 ASN C C 44 172.545 172.545 173.361 -0.816 17832 6801 1 18 . 1 1 47 47 ASN CA C 44 51.174 51.174 53.746 -2.572 17832 6802 1 18 . 1 1 47 47 ASN CB C 44 36.208 36.208 38.884 -2.676 17832 6803 1 18 . 1 1 47 47 ASN H H 44 8.329 8.329 8.485 -0.156 17832 6804 1 18 . 1 1 48 48 ASP N N 45 120.294 120.294 118.696 1.598 17832 6805 1 18 . 1 1 48 48 ASP HA H 45 4.500 4.500 4.652 -0.152 17832 6806 1 18 . 1 1 48 48 ASP C C 45 173.835 173.835 176.279 -2.444 17832 6807 1 18 . 1 1 48 48 ASP CA C 45 52.030 52.030 54.571 -2.541 17832 6808 1 18 . 1 1 48 48 ASP CB C 45 38.326 38.326 40.193 -1.867 17832 6809 1 18 . 1 1 48 48 ASP H H 45 8.220 8.220 8.293 -0.073 17832 6810 1 18 . 1 1 49 49 ARG N N 46 121.139 121.139 122.720 -1.581 17832 6811 1 18 . 1 1 49 49 ARG HA H 46 4.274 4.274 4.627 -0.353 17832 6812 1 18 . 1 1 49 49 ARG C C 46 174.032 174.032 175.302 -1.270 17832 6813 1 18 . 1 1 49 49 ARG CA C 46 53.425 53.425 55.602 -2.176 17832 6814 1 18 . 1 1 49 49 ARG CB C 46 27.615 27.615 30.499 -2.884 17832 6815 1 18 . 1 1 49 49 ARG H H 46 8.180 8.180 8.268 -0.088 17832 6816 1 18 . 1 1 50 50 SER N N 47 116.289 116.289 119.680 -3.391 17832 6817 1 18 . 1 1 50 50 SER HA H 47 4.269 4.269 4.742 -0.473 17832 6818 1 18 . 1 1 50 50 SER C C 47 172.337 172.337 174.906 -2.569 17832 6819 1 18 . 1 1 50 50 SER CA C 47 56.379 56.379 58.122 -1.743 17832 6820 1 18 . 1 1 50 50 SER CB C 47 60.970 60.970 64.914 -3.944 17832 6821 1 18 . 1 1 50 50 SER H H 47 8.236 8.236 8.722 -0.486 17832 6822 1 18 . 1 1 51 51 GLU N N 48 122.019 122.019 127.058 -5.039 17832 6823 1 18 . 1 1 51 51 GLU HA H 48 4.134 4.134 4.362 -0.228 17832 6824 1 18 . 1 1 51 51 GLU C C 48 174.002 174.002 175.676 -1.674 17832 6825 1 18 . 1 1 51 51 GLU CA C 48 54.285 54.285 55.558 -1.273 17832 6826 1 18 . 1 1 51 51 GLU CB C 48 27.192 27.192 29.258 -2.066 17832 6827 1 18 . 1 1 51 51 GLU H H 48 8.423 8.423 8.919 -0.496 17832 6828 1 18 . 1 1 52 52 HIS N N 49 119.075 119.075 121.842 -2.767 17832 6829 1 18 . 1 1 52 52 HIS HA H 49 4.486 4.486 4.784 -0.298 17832 6830 1 18 . 1 1 52 52 HIS C C 49 172.663 172.663 174.300 -1.637 17832 6831 1 18 . 1 1 52 52 HIS CA C 49 53.775 53.775 56.044 -2.269 17832 6832 1 18 . 1 1 52 52 HIS CB C 49 27.714 27.714 29.161 -1.447 17832 6833 1 18 . 1 1 52 52 HIS H H 49 8.117 8.117 8.015 0.102 17832 6834 1 18 . 1 1 53 53 HIS N N 50 119.483 119.483 122.554 -3.071 17832 6835 1 18 . 1 1 53 53 HIS HA H 50 4.538 4.538 4.826 -0.288 17832 6836 1 18 . 1 1 53 53 HIS C C 50 172.355 172.355 174.346 -1.991 17832 6837 1 18 . 1 1 53 53 HIS CA C 50 53.433 53.433 54.910 -1.477 17832 6838 1 18 . 1 1 53 53 HIS CB C 50 27.694 27.694 30.974 -3.280 17832 6839 1 18 . 1 1 53 53 HIS H H 50 8.068 8.068 8.297 -0.229 17832 6840 1 18 . 1 1 54 54 LYS N N 51 122.136 122.136 121.464 0.672 17832 6841 1 18 . 1 1 54 54 LYS HA H 51 4.215 4.215 4.259 -0.044 17832 6842 1 18 . 1 1 54 54 LYS C C 51 173.474 173.474 175.332 -1.858 17832 6843 1 18 . 1 1 54 54 LYS CA C 51 53.445 53.445 56.333 -2.888 17832 6844 1 18 . 1 1 54 54 LYS CB C 51 30.329 30.329 33.311 -2.982 17832 6845 1 18 . 1 1 54 54 LYS H H 51 8.121 8.121 8.878 -0.757 17832 6846 1 18 . 1 1 55 55 LYS N N 52 124.022 124.022 122.683 1.339 17832 6847 1 18 . 1 1 55 55 LYS HA H 52 4.508 4.508 4.607 -0.099 17832 6848 1 18 . 1 1 55 55 LYS C C 52 171.685 171.685 174.677 -2.992 17832 6849 1 18 . 1 1 55 55 LYS CA C 52 51.516 51.516 53.834 -2.318 17832 6850 1 18 . 1 1 55 55 LYS CB C 52 29.818 29.818 32.986 -3.168 17832 6851 1 18 . 1 1 55 55 LYS H H 52 8.262 8.262 8.394 -0.132 17832 6852 1 18 . 1 1 56 56 PRO HA H 53 4.340 4.340 4.384 -0.044 17832 6853 1 18 . 1 1 56 56 PRO C C 53 173.830 173.830 175.688 -1.858 17832 6854 1 18 . 1 1 56 56 PRO CA C 53 60.496 60.496 62.988 -2.492 17832 6855 1 18 . 1 1 56 56 PRO CB C 53 29.444 29.444 30.440 -0.996 17832 6856 1 18 . 1 1 57 57 ARG N N 54 121.870 121.870 119.547 2.323 17832 6857 1 18 . 1 1 57 57 ARG HA H 54 4.279 4.279 4.579 -0.300 17832 6858 1 18 . 1 1 57 57 ARG C C 54 173.560 173.560 174.491 -0.931 17832 6859 1 18 . 1 1 57 57 ARG CA C 54 53.172 53.172 55.947 -2.775 17832 6860 1 18 . 1 1 57 57 ARG CB C 54 28.273 28.273 31.254 -2.981 17832 6861 1 18 . 1 1 57 57 ARG H H 54 8.396 8.396 8.445 -0.049 17832 6862 1 18 . 1 1 58 58 ILE N N 55 122.683 122.683 121.128 1.555 17832 6863 1 18 . 1 1 58 58 ILE HA H 55 4.117 4.117 4.272 -0.155 17832 6864 1 18 . 1 1 58 58 ILE C C 55 173.034 173.034 176.594 -3.560 17832 6865 1 18 . 1 1 58 58 ILE CA C 55 58.378 58.378 60.976 -2.598 17832 6866 1 18 . 1 1 58 58 ILE CB C 55 36.113 36.113 38.477 -2.364 17832 6867 1 18 . 1 1 58 58 ILE H H 55 8.258 8.258 8.744 -0.486 17832 6868 1 18 . 1 1 59 59 ASP N N 56 123.975 123.975 120.233 3.742 17832 6869 1 18 . 1 1 59 59 ASP HA H 56 4.581 4.581 4.778 -0.197 17832 6870 1 18 . 1 1 59 59 ASP C C 56 172.780 172.780 176.787 -4.007 17832 6871 1 18 . 1 1 59 59 ASP CA C 56 51.525 51.525 54.937 -3.412 17832 6872 1 18 . 1 1 59 59 ASP CB C 56 38.460 38.460 41.719 -3.259 17832 6873 1 18 . 1 1 59 59 ASP H H 56 8.364 8.364 8.191 0.173 17832 6874 1 18 . 1 1 60 60 ASP N N 57 121.471 121.471 119.510 1.961 17832 6875 1 18 . 1 1 60 60 ASP HA H 57 4.563 4.563 4.869 -0.306 17832 6876 1 18 . 1 1 60 60 ASP C C 57 173.851 173.851 175.400 -1.549 17832 6877 1 18 . 1 1 60 60 ASP CA C 57 51.586 51.586 53.200 -1.614 17832 6878 1 18 . 1 1 60 60 ASP CB C 57 38.468 38.468 42.672 -4.204 17832 6879 1 18 . 1 1 60 60 ASP H H 57 8.393 8.393 8.120 0.273 17832 6880 1 18 . 1 1 61 61 SER N N 58 116.207 116.207 114.643 1.564 17832 6881 1 18 . 1 1 61 61 SER C C 58 172.389 172.389 174.102 -1.713 17832 6882 1 18 . 1 1 61 61 SER CA C 58 56.129 56.129 58.426 -2.297 17832 6883 1 18 . 1 1 61 61 SER CB C 58 60.945 60.945 64.552 -3.607 17832 6884 1 18 . 1 1 61 61 SER H H 58 8.331 8.331 8.551 -0.220 17832 6885 1 18 . 1 1 62 62 SER N N 59 117.805 117.805 116.287 1.518 17832 6886 1 18 . 1 1 62 62 SER C C 59 171.778 171.778 173.044 -1.266 17832 6887 1 18 . 1 1 62 62 SER CA C 59 56.290 56.290 59.066 -2.776 17832 6888 1 18 . 1 1 62 62 SER CB C 59 60.930 60.930 63.512 -2.582 17832 6889 1 18 . 1 1 62 62 SER H H 59 8.334 8.334 8.585 -0.251 17832 6890 1 18 . 1 1 63 63 ASP N N 60 122.124 122.124 122.041 0.083 17832 6891 1 18 . 1 1 63 63 ASP HA H 60 4.512 4.512 4.946 -0.434 17832 6892 1 18 . 1 1 63 63 ASP C C 60 173.550 173.550 175.499 -1.949 17832 6893 1 18 . 1 1 63 63 ASP CA C 60 51.916 51.916 54.202 -2.286 17832 6894 1 18 . 1 1 63 63 ASP CB C 60 38.264 38.264 41.095 -2.831 17832 6895 1 18 . 1 1 63 63 ASP H H 60 8.278 8.278 8.261 0.017 17832 6896 1 18 . 1 1 64 64 LEU N N 61 121.450 121.450 123.233 -1.783 17832 6897 1 18 . 1 1 64 64 LEU HA H 61 4.223 4.223 4.504 -0.281 17832 6898 1 18 . 1 1 64 64 LEU C C 61 174.603 174.603 176.156 -1.553 17832 6899 1 18 . 1 1 64 64 LEU CA C 61 52.640 52.640 54.650 -2.010 17832 6900 1 18 . 1 1 64 64 LEU CB C 61 39.502 39.502 42.905 -3.403 17832 6901 1 18 . 1 1 64 64 LEU H H 61 7.931 7.931 8.215 -0.284 17832 6902 1 18 . 1 1 65 65 LEU N N 62 122.042 122.042 120.996 1.046 17832 6903 1 18 . 1 1 65 65 LEU HA H 62 4.273 4.273 4.522 -0.249 17832 6904 1 18 . 1 1 65 65 LEU C C 62 174.372 174.372 176.063 -1.691 17832 6905 1 18 . 1 1 65 65 LEU CA C 62 52.339 52.339 55.263 -2.924 17832 6906 1 18 . 1 1 65 65 LEU CB C 62 39.426 39.426 42.737 -3.312 17832 6907 1 18 . 1 1 65 65 LEU H H 62 8.023 8.023 8.534 -0.511 17832 6908 1 18 . 1 1 66 66 LYS N N 63 122.782 122.782 121.709 1.073 17832 6909 1 18 . 1 1 66 66 LYS HA H 63 4.349 4.349 4.595 -0.246 17832 6910 1 18 . 1 1 66 66 LYS C C 63 173.936 173.936 176.265 -2.329 17832 6911 1 18 . 1 1 66 66 LYS CA C 63 53.305 53.305 56.463 -3.158 17832 6912 1 18 . 1 1 66 66 LYS CB C 63 30.305 30.305 32.438 -2.133 17832 6913 1 18 . 1 1 66 66 LYS H H 63 8.145 8.145 8.679 -0.534 17832 6914 1 18 . 1 1 67 67 THR N N 64 115.478 115.478 115.562 -0.084 17832 6915 1 18 . 1 1 67 67 THR HA H 64 4.298 4.298 4.326 -0.028 17832 6916 1 18 . 1 1 67 67 THR C C 64 171.473 171.473 174.033 -2.560 17832 6917 1 18 . 1 1 67 67 THR CA C 64 58.943 58.943 62.989 -4.045 17832 6918 1 18 . 1 1 67 67 THR CB C 64 67.038 67.038 69.379 -2.341 17832 6919 1 18 . 1 1 67 67 THR H H 64 8.196 8.196 8.268 -0.072 17832 6920 1 18 . 1 1 68 68 ASP N N 65 122.013 122.013 120.483 1.530 17832 6921 1 18 . 1 1 68 68 ASP C C 65 173.191 173.191 174.778 -1.587 17832 6922 1 18 . 1 1 68 68 ASP CA C 65 51.628 51.628 53.598 -1.970 17832 6923 1 18 . 1 1 68 68 ASP CB C 65 38.495 38.495 42.141 -3.646 17832 6924 1 18 . 1 1 68 68 ASP H H 65 8.307 8.307 7.831 0.476 17832 6925 1 18 . 1 1 69 69 GLU N N 66 121.260 121.260 122.368 -1.108 17832 6926 1 18 . 1 1 69 69 GLU HA H 66 4.235 4.235 4.740 -0.505 17832 6927 1 18 . 1 1 69 69 GLU C C 66 172.706 172.706 176.174 -3.468 17832 6928 1 18 . 1 1 69 69 GLU CA C 66 53.881 53.881 56.058 -2.177 17832 6929 1 18 . 1 1 69 69 GLU CB C 66 27.731 27.731 30.875 -3.144 17832 6930 1 18 . 1 1 69 69 GLU H H 66 8.216 8.216 8.616 -0.400 17832 6931 1 19 . 1 1 3 3 MET C C 0 173.346 173.346 176.832 -3.486 17832 6932 1 19 . 1 1 3 3 MET CA C 0 52.930 52.930 56.641 -3.711 17832 6933 1 19 . 1 1 3 3 MET CB C 0 29.966 29.966 33.496 -3.530 17832 6934 1 19 . 1 1 4 4 MET N N 1 121.822 121.822 117.154 4.668 17832 6935 1 19 . 1 1 4 4 MET HA H 1 4.378 4.378 4.771 -0.393 17832 6936 1 19 . 1 1 4 4 MET C C 1 173.585 173.585 174.907 -1.322 17832 6937 1 19 . 1 1 4 4 MET CA C 1 52.943 52.943 54.782 -1.839 17832 6938 1 19 . 1 1 4 4 MET CB C 1 30.112 30.112 35.091 -4.979 17832 6939 1 19 . 1 1 4 4 MET H H 1 8.553 8.553 7.649 0.904 17832 6940 1 19 . 1 1 5 5 SER N N 2 117.291 117.291 115.800 1.491 17832 6941 1 19 . 1 1 5 5 SER HA H 2 4.402 4.402 4.694 -0.292 17832 6942 1 19 . 1 1 5 5 SER C C 2 171.427 171.427 173.552 -2.125 17832 6943 1 19 . 1 1 5 5 SER CA C 2 55.920 55.920 58.000 -2.080 17832 6944 1 19 . 1 1 5 5 SER CB C 2 61.033 61.033 63.459 -2.426 17832 6945 1 19 . 1 1 5 5 SER H H 2 8.337 8.337 8.406 -0.069 17832 6946 1 19 . 1 1 6 6 LYS N N 3 121.932 121.932 128.284 -6.352 17832 6947 1 19 . 1 1 6 6 LYS HA H 3 4.282 4.282 4.430 -0.148 17832 6948 1 19 . 1 1 6 6 LYS C C 3 173.822 173.822 176.356 -2.534 17832 6949 1 19 . 1 1 6 6 LYS CA C 3 53.556 53.556 55.687 -2.131 17832 6950 1 19 . 1 1 6 6 LYS CB C 3 30.569 30.569 33.045 -2.477 17832 6951 1 19 . 1 1 6 6 LYS H H 3 8.216 8.216 8.376 -0.160 17832 6952 1 19 . 1 1 7 7 LEU N N 4 123.131 123.131 124.437 -1.306 17832 6953 1 19 . 1 1 7 7 LEU HA H 4 4.310 4.310 4.421 -0.111 17832 6954 1 19 . 1 1 7 7 LEU C C 4 176.226 176.226 178.311 -2.085 17832 6955 1 19 . 1 1 7 7 LEU CA C 4 52.753 52.753 54.539 -1.786 17832 6956 1 19 . 1 1 7 7 LEU CB C 4 39.626 39.626 43.562 -3.936 17832 6957 1 19 . 1 1 7 7 LEU H H 4 8.301 8.301 8.445 -0.144 17832 6958 1 19 . 1 1 8 8 PHE N N 5 122.547 122.547 118.963 3.584 17832 6959 1 19 . 1 1 8 8 PHE HA H 5 4.313 4.313 4.360 -0.047 17832 6960 1 19 . 1 1 8 8 PHE CA C 5 56.963 56.963 60.624 -3.661 17832 6961 1 19 . 1 1 8 8 PHE CB C 5 35.205 35.205 37.832 -2.627 17832 6962 1 19 . 1 1 8 8 PHE H H 5 8.764 8.764 8.485 0.279 17832 6963 1 19 . 1 1 9 9 LEU HA H 6 3.079 3.079 4.042 -0.963 17832 6964 1 19 . 1 1 9 9 LEU C C 6 175.830 175.830 177.061 -1.231 17832 6965 1 19 . 1 1 9 9 LEU CA C 6 54.075 54.075 56.016 -1.941 17832 6966 1 19 . 1 1 9 9 LEU CB C 6 38.429 38.429 39.806 -1.377 17832 6967 1 19 . 1 1 10 10 ASP N N 7 116.164 116.164 117.485 -1.321 17832 6968 1 19 . 1 1 10 10 ASP HA H 7 4.294 4.294 4.382 -0.088 17832 6969 1 19 . 1 1 10 10 ASP C C 7 174.240 174.240 177.602 -3.362 17832 6970 1 19 . 1 1 10 10 ASP CA C 7 53.201 53.201 56.442 -3.241 17832 6971 1 19 . 1 1 10 10 ASP CB C 7 37.826 37.826 40.966 -3.140 17832 6972 1 19 . 1 1 10 10 ASP H H 7 7.488 7.488 7.412 0.076 17832 6973 1 19 . 1 1 11 11 GLU N N 8 116.711 116.711 116.846 -0.135 17832 6974 1 19 . 1 1 11 11 GLU HA H 8 4.296 4.296 4.280 0.016 17832 6975 1 19 . 1 1 11 11 GLU C C 8 173.322 173.322 177.374 -4.052 17832 6976 1 19 . 1 1 11 11 GLU CA C 8 53.231 53.231 56.418 -3.187 17832 6977 1 19 . 1 1 11 11 GLU CB C 8 27.333 27.333 30.379 -3.046 17832 6978 1 19 . 1 1 11 11 GLU H H 8 7.496 7.496 7.684 -0.188 17832 6979 1 19 . 1 1 12 12 LEU N N 9 117.751 117.751 121.436 -3.685 17832 6980 1 19 . 1 1 12 12 LEU HA H 9 4.313 4.313 4.236 0.077 17832 6981 1 19 . 1 1 12 12 LEU C C 9 171.541 171.541 175.019 -3.478 17832 6982 1 19 . 1 1 12 12 LEU CA C 9 49.264 49.264 53.959 -4.695 17832 6983 1 19 . 1 1 12 12 LEU CB C 9 38.581 38.581 41.502 -2.921 17832 6984 1 19 . 1 1 12 12 LEU H H 9 6.803 6.803 7.121 -0.318 17832 6985 1 19 . 1 1 13 13 PRO HA H 10 4.311 4.311 4.350 -0.039 17832 6986 1 19 . 1 1 13 13 PRO C C 10 174.746 174.746 177.931 -3.185 17832 6987 1 19 . 1 1 13 13 PRO CA C 10 60.083 60.083 63.022 -2.939 17832 6988 1 19 . 1 1 13 13 PRO CB C 10 29.131 29.131 32.423 -3.292 17832 6989 1 19 . 1 1 14 14 GLU N N 11 125.693 125.693 124.095 1.598 17832 6990 1 19 . 1 1 14 14 GLU HA H 11 3.854 3.854 3.846 0.008 17832 6991 1 19 . 1 1 14 14 GLU C C 11 175.180 175.180 178.757 -3.577 17832 6992 1 19 . 1 1 14 14 GLU CA C 11 57.035 57.035 60.038 -3.003 17832 6993 1 19 . 1 1 14 14 GLU CB C 11 26.761 26.761 29.434 -2.673 17832 6994 1 19 . 1 1 14 14 GLU H H 11 8.777 8.777 8.921 -0.144 17832 6995 1 19 . 1 1 15 15 SER N N 12 111.734 111.734 114.698 -2.964 17832 6996 1 19 . 1 1 15 15 SER HA H 12 3.884 3.884 4.223 -0.339 17832 6997 1 19 . 1 1 15 15 SER C C 12 173.687 173.687 176.346 -2.659 17832 6998 1 19 . 1 1 15 15 SER CA C 12 58.230 58.230 61.300 -3.071 17832 6999 1 19 . 1 1 15 15 SER CB C 12 58.977 58.977 62.783 -3.806 17832 7000 1 19 . 1 1 15 15 SER H H 12 8.563 8.563 8.246 0.317 17832 7001 1 19 . 1 1 16 16 LEU N N 13 122.925 122.925 120.849 2.076 17832 7002 1 19 . 1 1 16 16 LEU HA H 13 4.081 4.081 4.136 -0.055 17832 7003 1 19 . 1 1 16 16 LEU C C 13 175.385 175.385 178.163 -2.778 17832 7004 1 19 . 1 1 16 16 LEU CA C 13 54.057 54.057 57.089 -3.031 17832 7005 1 19 . 1 1 16 16 LEU CB C 13 39.498 39.498 42.141 -2.643 17832 7006 1 19 . 1 1 16 16 LEU H H 13 6.828 6.828 7.431 -0.603 17832 7007 1 19 . 1 1 17 17 SER N N 14 114.839 114.839 115.291 -0.452 17832 7008 1 19 . 1 1 17 17 SER HA H 14 3.585 3.585 3.980 -0.395 17832 7009 1 19 . 1 1 17 17 SER C C 14 175.435 175.435 176.913 -1.478 17832 7010 1 19 . 1 1 17 17 SER CA C 14 58.835 58.835 61.381 -2.546 17832 7011 1 19 . 1 1 17 17 SER CB C 14 59.345 59.345 62.921 -3.576 17832 7012 1 19 . 1 1 17 17 SER H H 14 8.266 8.266 8.824 -0.558 17832 7013 1 19 . 1 1 18 18 ARG N N 15 121.474 121.474 121.531 -0.057 17832 7014 1 19 . 1 1 18 18 ARG HA H 15 3.897 3.897 4.158 -0.261 17832 7015 1 19 . 1 1 18 18 ARG C C 15 176.749 176.749 178.571 -1.822 17832 7016 1 19 . 1 1 18 18 ARG CA C 15 56.827 56.827 58.775 -1.948 17832 7017 1 19 . 1 1 18 18 ARG CB C 15 27.154 27.154 29.928 -2.774 17832 7018 1 19 . 1 1 18 18 ARG H H 15 8.385 8.385 7.716 0.669 17832 7019 1 19 . 1 1 19 19 LYS N N 16 119.494 119.494 120.092 -0.598 17832 7020 1 19 . 1 1 19 19 LYS HA H 16 3.947 3.947 4.073 -0.126 17832 7021 1 19 . 1 1 19 19 LYS C C 16 177.319 177.319 179.152 -1.833 17832 7022 1 19 . 1 1 19 19 LYS CA C 16 57.412 57.412 59.284 -1.872 17832 7023 1 19 . 1 1 19 19 LYS CB C 16 30.432 30.432 32.240 -1.808 17832 7024 1 19 . 1 1 19 19 LYS H H 16 7.269 7.269 7.486 -0.217 17832 7025 1 19 . 1 1 20 20 ILE N N 17 120.972 120.972 119.525 1.447 17832 7026 1 19 . 1 1 20 20 ILE HA H 17 2.813 2.813 3.793 -0.980 17832 7027 1 19 . 1 1 20 20 ILE C C 17 175.324 175.324 177.680 -2.356 17832 7028 1 19 . 1 1 20 20 ILE CA C 17 63.012 63.012 64.891 -1.879 17832 7029 1 19 . 1 1 20 20 ILE CB C 17 34.710 34.710 37.936 -3.226 17832 7030 1 19 . 1 1 20 20 ILE H H 17 7.993 7.993 8.223 -0.230 17832 7031 1 19 . 1 1 21 21 GLY N N 18 106.894 106.894 106.875 0.019 17832 7032 1 19 . 1 1 21 21 GLY C C 18 173.161 173.161 176.059 -2.898 17832 7033 1 19 . 1 1 21 21 GLY CA C 18 44.450 44.450 47.496 -3.046 17832 7034 1 19 . 1 1 21 21 GLY H H 18 8.259 8.259 8.221 0.038 17832 7035 1 19 . 1 1 22 22 THR N N 19 113.696 113.696 116.040 -2.344 17832 7036 1 19 . 1 1 22 22 THR HA H 19 3.946 3.946 4.129 -0.183 17832 7037 1 19 . 1 1 22 22 THR C C 19 173.081 173.081 175.990 -2.909 17832 7038 1 19 . 1 1 22 22 THR CA C 19 62.984 62.984 65.404 -2.420 17832 7039 1 19 . 1 1 22 22 THR CB C 19 66.403 66.403 68.793 -2.390 17832 7040 1 19 . 1 1 22 22 THR H H 19 7.502 7.502 7.545 -0.043 17832 7041 1 19 . 1 1 23 23 VAL N N 20 123.120 123.120 119.896 3.224 17832 7042 1 19 . 1 1 23 23 VAL HA H 20 3.649 3.649 4.001 -0.352 17832 7043 1 19 . 1 1 23 23 VAL C C 20 174.858 174.858 178.126 -3.268 17832 7044 1 19 . 1 1 23 23 VAL CA C 20 62.761 62.761 64.663 -1.902 17832 7045 1 19 . 1 1 23 23 VAL CB C 20 29.222 29.222 31.930 -2.708 17832 7046 1 19 . 1 1 23 23 VAL H H 20 7.168 7.168 7.290 -0.122 17832 7047 1 19 . 1 1 24 24 VAL N N 21 119.729 119.729 119.669 0.060 17832 7048 1 19 . 1 1 24 24 VAL HA H 21 3.541 3.541 3.817 -0.276 17832 7049 1 19 . 1 1 24 24 VAL C C 21 174.410 174.410 177.521 -3.111 17832 7050 1 19 . 1 1 24 24 VAL CA C 21 61.966 61.966 64.891 -2.925 17832 7051 1 19 . 1 1 24 24 VAL CB C 21 29.360 29.360 30.750 -1.390 17832 7052 1 19 . 1 1 24 24 VAL H H 21 8.129 8.129 8.602 -0.473 17832 7053 1 19 . 1 1 25 25 ARG N N 22 116.239 116.239 118.786 -2.547 17832 7054 1 19 . 1 1 25 25 ARG HA H 22 3.952 3.952 4.070 -0.118 17832 7055 1 19 . 1 1 25 25 ARG C C 22 174.899 174.899 177.667 -2.768 17832 7056 1 19 . 1 1 25 25 ARG CA C 22 56.097 56.097 58.547 -2.450 17832 7057 1 19 . 1 1 25 25 ARG CB C 22 27.473 27.473 30.121 -2.648 17832 7058 1 19 . 1 1 25 25 ARG H H 22 7.633 7.633 7.579 0.054 17832 7059 1 19 . 1 1 26 26 VAL N N 23 115.006 115.006 117.749 -2.743 17832 7060 1 19 . 1 1 26 26 VAL HA H 23 3.995 3.995 3.982 0.013 17832 7061 1 19 . 1 1 26 26 VAL C C 23 173.187 173.187 176.695 -3.508 17832 7062 1 19 . 1 1 26 26 VAL CA C 23 61.107 61.107 64.331 -3.224 17832 7063 1 19 . 1 1 26 26 VAL CB C 23 29.977 29.977 32.526 -2.549 17832 7064 1 19 . 1 1 26 26 VAL H H 23 6.886 6.886 7.528 -0.642 17832 7065 1 19 . 1 1 27 27 LEU N N 24 120.940 120.940 120.260 0.680 17832 7066 1 19 . 1 1 27 27 LEU HA H 24 4.930 4.930 4.896 0.034 17832 7067 1 19 . 1 1 27 27 LEU C C 24 171.363 171.363 175.204 -3.841 17832 7068 1 19 . 1 1 27 27 LEU CA C 24 48.752 48.752 52.002 -3.251 17832 7069 1 19 . 1 1 27 27 LEU CB C 24 40.669 40.669 41.790 -1.121 17832 7070 1 19 . 1 1 27 27 LEU H H 24 8.338 8.338 7.257 1.081 17832 7071 1 19 . 1 1 28 28 PRO HA H 25 4.767 4.767 4.427 0.340 17832 7072 1 19 . 1 1 28 28 PRO C C 25 176.742 176.742 178.235 -1.493 17832 7073 1 19 . 1 1 28 28 PRO CA C 25 63.453 63.453 65.236 -1.783 17832 7074 1 19 . 1 1 28 28 PRO CB C 25 29.004 29.004 31.876 -2.872 17832 7075 1 19 . 1 1 29 29 SER N N 26 111.726 111.726 113.924 -2.198 17832 7076 1 19 . 1 1 29 29 SER HA H 26 4.422 4.422 4.300 0.122 17832 7077 1 19 . 1 1 29 29 SER C C 26 172.811 172.811 176.610 -3.799 17832 7078 1 19 . 1 1 29 29 SER CA C 26 57.331 57.331 59.678 -2.346 17832 7079 1 19 . 1 1 29 29 SER CB C 26 59.552 59.552 62.657 -3.105 17832 7080 1 19 . 1 1 29 29 SER H H 26 8.279 8.279 8.501 -0.222 17832 7081 1 19 . 1 1 30 30 SER N N 27 116.503 116.503 119.985 -3.482 17832 7082 1 19 . 1 1 30 30 SER HA H 27 4.103 4.103 4.136 -0.033 17832 7083 1 19 . 1 1 30 30 SER C C 27 174.324 174.324 176.333 -2.009 17832 7084 1 19 . 1 1 30 30 SER CA C 27 58.661 58.661 61.032 -2.371 17832 7085 1 19 . 1 1 30 30 SER CB C 27 61.593 61.593 62.968 -1.375 17832 7086 1 19 . 1 1 30 30 SER H H 27 8.642 8.642 7.949 0.693 17832 7087 1 19 . 1 1 31 31 LEU N N 28 126.322 126.322 121.801 4.521 17832 7088 1 19 . 1 1 31 31 LEU HA H 28 4.281 4.281 4.269 0.012 17832 7089 1 19 . 1 1 31 31 LEU C C 28 175.385 175.385 178.175 -2.790 17832 7090 1 19 . 1 1 31 31 LEU CA C 28 56.992 56.992 58.022 -1.030 17832 7091 1 19 . 1 1 31 31 LEU CB C 28 38.241 38.241 42.013 -3.772 17832 7092 1 19 . 1 1 31 31 LEU H H 28 7.634 7.634 8.029 -0.395 17832 7093 1 19 . 1 1 32 32 GLU N N 29 114.812 114.812 118.385 -3.573 17832 7094 1 19 . 1 1 32 32 GLU HA H 29 4.230 4.230 4.067 0.163 17832 7095 1 19 . 1 1 32 32 GLU C C 29 175.711 175.711 179.242 -3.531 17832 7096 1 19 . 1 1 32 32 GLU CA C 29 56.205 56.205 59.499 -3.294 17832 7097 1 19 . 1 1 32 32 GLU CB C 29 26.903 26.903 29.259 -2.356 17832 7098 1 19 . 1 1 32 32 GLU H H 29 8.283 8.283 7.747 0.536 17832 7099 1 19 . 1 1 33 33 ILE N N 30 121.972 121.972 119.824 2.148 17832 7100 1 19 . 1 1 33 33 ILE HA H 30 3.773 3.773 3.606 0.167 17832 7101 1 19 . 1 1 33 33 ILE C C 30 175.177 175.177 178.077 -2.900 17832 7102 1 19 . 1 1 33 33 ILE CA C 30 62.116 62.116 64.767 -2.651 17832 7103 1 19 . 1 1 33 33 ILE CB C 30 35.018 35.018 37.517 -2.499 17832 7104 1 19 . 1 1 33 33 ILE H H 30 7.477 7.477 7.600 -0.123 17832 7105 1 19 . 1 1 34 34 PHE N N 31 117.727 117.727 118.097 -0.370 17832 7106 1 19 . 1 1 34 34 PHE HA H 31 4.208 4.208 4.122 0.086 17832 7107 1 19 . 1 1 34 34 PHE C C 31 174.731 174.731 178.026 -3.295 17832 7108 1 19 . 1 1 34 34 PHE CA C 31 61.035 61.035 60.754 0.281 17832 7109 1 19 . 1 1 34 34 PHE CB C 31 36.224 36.224 37.811 -1.587 17832 7110 1 19 . 1 1 34 34 PHE H H 31 8.137 8.137 7.470 0.667 17832 7111 1 19 . 1 1 35 35 GLU N N 32 118.271 118.271 120.702 -2.431 17832 7112 1 19 . 1 1 35 35 GLU HA H 32 2.721 2.721 3.774 -1.053 17832 7113 1 19 . 1 1 35 35 GLU C C 32 174.785 174.785 179.080 -4.295 17832 7114 1 19 . 1 1 35 35 GLU CA C 32 57.304 57.304 60.303 -2.999 17832 7115 1 19 . 1 1 35 35 GLU CB C 32 26.997 26.997 29.392 -2.395 17832 7116 1 19 . 1 1 35 35 GLU H H 32 8.249 8.249 8.578 -0.329 17832 7117 1 19 . 1 1 36 36 GLU N N 33 119.678 119.678 119.245 0.433 17832 7118 1 19 . 1 1 36 36 GLU HA H 33 3.887 3.887 4.098 -0.211 17832 7119 1 19 . 1 1 36 36 GLU C C 33 176.760 176.760 179.317 -2.557 17832 7120 1 19 . 1 1 36 36 GLU CA C 33 57.241 57.241 58.854 -1.613 17832 7121 1 19 . 1 1 36 36 GLU CB C 33 26.806 26.806 29.662 -2.856 17832 7122 1 19 . 1 1 36 36 GLU H H 33 7.971 7.971 7.656 0.315 17832 7123 1 19 . 1 1 37 37 LEU N N 34 120.144 120.144 121.988 -1.844 17832 7124 1 19 . 1 1 37 37 LEU HA H 34 4.280 4.280 4.074 0.206 17832 7125 1 19 . 1 1 37 37 LEU C C 34 174.327 174.327 178.629 -4.302 17832 7126 1 19 . 1 1 37 37 LEU CA C 34 55.502 55.502 58.206 -2.704 17832 7127 1 19 . 1 1 37 37 LEU CB C 34 39.354 39.354 41.291 -1.938 17832 7128 1 19 . 1 1 37 37 LEU H H 34 8.278 8.278 8.037 0.241 17832 7129 1 19 . 1 1 38 38 TYR N N 35 119.703 119.703 120.105 -0.402 17832 7130 1 19 . 1 1 38 38 TYR HA H 35 4.070 4.070 4.112 -0.042 17832 7131 1 19 . 1 1 38 38 TYR C C 35 173.298 173.298 177.337 -4.039 17832 7132 1 19 . 1 1 38 38 TYR CA C 35 59.098 59.098 60.924 -1.826 17832 7133 1 19 . 1 1 38 38 TYR CB C 35 36.534 36.534 37.931 -1.397 17832 7134 1 19 . 1 1 38 38 TYR H H 35 8.417 8.417 8.759 -0.342 17832 7135 1 19 . 1 1 39 39 LYS N N 36 115.392 115.392 118.246 -2.854 17832 7136 1 19 . 1 1 39 39 LYS HA H 36 3.621 3.621 3.393 0.228 17832 7137 1 19 . 1 1 39 39 LYS C C 36 176.456 176.456 178.295 -1.839 17832 7138 1 19 . 1 1 39 39 LYS CA C 36 57.011 57.011 57.707 -0.696 17832 7139 1 19 . 1 1 39 39 LYS CB C 36 29.694 29.694 32.008 -2.314 17832 7140 1 19 . 1 1 39 39 LYS H H 36 8.441 8.441 7.472 0.969 17832 7141 1 19 . 1 1 40 40 TYR N N 37 120.325 120.325 120.956 -0.631 17832 7142 1 19 . 1 1 40 40 TYR HA H 37 4.078 4.078 3.980 0.098 17832 7143 1 19 . 1 1 40 40 TYR C C 37 175.043 175.043 177.099 -2.056 17832 7144 1 19 . 1 1 40 40 TYR CA C 37 58.971 58.971 61.526 -2.555 17832 7145 1 19 . 1 1 40 40 TYR CB C 37 35.875 35.875 38.235 -2.360 17832 7146 1 19 . 1 1 40 40 TYR H H 37 8.344 8.344 8.007 0.337 17832 7147 1 19 . 1 1 41 41 ALA N N 38 121.802 121.802 119.844 1.958 17832 7148 1 19 . 1 1 41 41 ALA HA H 38 3.746 3.746 4.274 -0.527 17832 7149 1 19 . 1 1 41 41 ALA C C 38 175.962 175.962 179.036 -3.074 17832 7150 1 19 . 1 1 41 41 ALA CA C 38 51.780 51.780 54.396 -2.616 17832 7151 1 19 . 1 1 41 41 ALA CB C 38 17.381 17.381 18.173 -0.792 17832 7152 1 19 . 1 1 41 41 ALA H H 38 8.291 8.291 7.826 0.465 17832 7153 1 19 . 1 1 42 42 LEU N N 39 116.563 116.563 116.403 0.160 17832 7154 1 19 . 1 1 42 42 LEU HA H 39 3.820 3.820 4.067 -0.247 17832 7155 1 19 . 1 1 42 42 LEU C C 39 176.020 176.020 177.977 -1.957 17832 7156 1 19 . 1 1 42 42 LEU CA C 39 54.011 54.011 56.471 -2.460 17832 7157 1 19 . 1 1 42 42 LEU CB C 39 39.796 39.796 41.823 -2.027 17832 7158 1 19 . 1 1 42 42 LEU H H 39 7.865 7.865 7.398 0.467 17832 7159 1 19 . 1 1 43 43 ASN N N 40 115.561 115.561 116.147 -0.586 17832 7160 1 19 . 1 1 43 43 ASN HA H 40 4.436 4.436 4.490 -0.054 17832 7161 1 19 . 1 1 43 43 ASN C C 40 173.390 173.390 177.246 -3.856 17832 7162 1 19 . 1 1 43 43 ASN CA C 40 51.492 51.492 54.837 -3.345 17832 7163 1 19 . 1 1 43 43 ASN CB C 40 36.401 36.401 38.979 -2.578 17832 7164 1 19 . 1 1 43 43 ASN H H 40 7.467 7.467 7.657 -0.190 17832 7165 1 19 . 1 1 44 44 GLU N N 41 120.609 120.609 120.256 0.353 17832 7166 1 19 . 1 1 44 44 GLU HA H 41 3.986 3.986 3.880 0.106 17832 7167 1 19 . 1 1 44 44 GLU C C 41 174.161 174.161 177.399 -3.238 17832 7168 1 19 . 1 1 44 44 GLU CA C 41 54.775 54.775 58.992 -4.218 17832 7169 1 19 . 1 1 44 44 GLU CB C 41 27.094 27.094 28.731 -1.637 17832 7170 1 19 . 1 1 44 44 GLU H H 41 7.817 7.817 7.859 -0.042 17832 7171 1 19 . 1 1 45 45 ASN N N 42 118.453 118.453 115.510 2.943 17832 7172 1 19 . 1 1 45 45 ASN HA H 42 4.618 4.618 4.443 0.175 17832 7173 1 19 . 1 1 45 45 ASN C C 42 172.912 172.912 176.062 -3.150 17832 7174 1 19 . 1 1 45 45 ASN CA C 42 50.988 50.988 55.291 -4.303 17832 7175 1 19 . 1 1 45 45 ASN CB C 42 36.267 36.267 38.439 -2.172 17832 7176 1 19 . 1 1 45 45 ASN H H 42 8.087 8.087 8.168 -0.081 17832 7177 1 19 . 1 1 46 46 SER N N 43 115.581 115.581 115.648 -0.067 17832 7178 1 19 . 1 1 46 46 SER HA H 43 4.292 4.292 4.300 -0.008 17832 7179 1 19 . 1 1 46 46 SER C C 43 172.136 172.136 175.426 -3.290 17832 7180 1 19 . 1 1 46 46 SER CA C 43 56.202 56.202 60.775 -4.573 17832 7181 1 19 . 1 1 46 46 SER CB C 43 60.909 60.909 63.611 -2.702 17832 7182 1 19 . 1 1 46 46 SER H H 43 8.062 8.062 8.172 -0.110 17832 7183 1 19 . 1 1 47 47 ASN N N 44 120.517 120.517 116.744 3.773 17832 7184 1 19 . 1 1 47 47 ASN HA H 44 4.617 4.617 4.834 -0.217 17832 7185 1 19 . 1 1 47 47 ASN C C 44 172.545 172.545 175.268 -2.723 17832 7186 1 19 . 1 1 47 47 ASN CA C 44 51.174 51.174 52.641 -1.467 17832 7187 1 19 . 1 1 47 47 ASN CB C 44 36.208 36.208 39.582 -3.374 17832 7188 1 19 . 1 1 47 47 ASN H H 44 8.329 8.329 7.799 0.530 17832 7189 1 19 . 1 1 48 48 ASP N N 45 120.294 120.294 120.368 -0.074 17832 7190 1 19 . 1 1 48 48 ASP HA H 45 4.500 4.500 4.148 0.352 17832 7191 1 19 . 1 1 48 48 ASP C C 45 173.835 173.835 174.490 -0.655 17832 7192 1 19 . 1 1 48 48 ASP CA C 45 52.030 52.030 55.353 -3.323 17832 7193 1 19 . 1 1 48 48 ASP CB C 45 38.326 38.326 40.278 -1.952 17832 7194 1 19 . 1 1 48 48 ASP H H 45 8.220 8.220 8.096 0.124 17832 7195 1 19 . 1 1 49 49 ARG N N 46 121.139 121.139 116.566 4.573 17832 7196 1 19 . 1 1 49 49 ARG HA H 46 4.274 4.274 3.923 0.351 17832 7197 1 19 . 1 1 49 49 ARG C C 46 174.032 174.032 175.517 -1.485 17832 7198 1 19 . 1 1 49 49 ARG CA C 46 53.425 53.425 56.827 -3.402 17832 7199 1 19 . 1 1 49 49 ARG CB C 46 27.615 27.615 28.560 -0.945 17832 7200 1 19 . 1 1 49 49 ARG H H 46 8.180 8.180 8.917 -0.737 17832 7201 1 19 . 1 1 50 50 SER N N 47 116.289 116.289 117.234 -0.945 17832 7202 1 19 . 1 1 50 50 SER HA H 47 4.269 4.269 4.487 -0.218 17832 7203 1 19 . 1 1 50 50 SER C C 47 172.337 172.337 173.666 -1.329 17832 7204 1 19 . 1 1 50 50 SER CA C 47 56.379 56.379 58.336 -1.957 17832 7205 1 19 . 1 1 50 50 SER CB C 47 60.970 60.970 64.162 -3.192 17832 7206 1 19 . 1 1 50 50 SER H H 47 8.236 8.236 8.492 -0.256 17832 7207 1 19 . 1 1 51 51 GLU N N 48 122.019 122.019 120.698 1.321 17832 7208 1 19 . 1 1 51 51 GLU HA H 48 4.134 4.134 4.545 -0.411 17832 7209 1 19 . 1 1 51 51 GLU C C 48 174.002 174.002 174.846 -0.844 17832 7210 1 19 . 1 1 51 51 GLU CA C 48 54.285 54.285 56.113 -1.828 17832 7211 1 19 . 1 1 51 51 GLU CB C 48 27.192 27.192 31.251 -4.059 17832 7212 1 19 . 1 1 51 51 GLU H H 48 8.423 8.423 8.275 0.147 17832 7213 1 19 . 1 1 52 52 HIS N N 49 119.075 119.075 120.469 -1.394 17832 7214 1 19 . 1 1 52 52 HIS HA H 49 4.486 4.486 4.976 -0.490 17832 7215 1 19 . 1 1 52 52 HIS C C 49 172.663 172.663 174.074 -1.411 17832 7216 1 19 . 1 1 52 52 HIS CA C 49 53.775 53.775 55.557 -1.782 17832 7217 1 19 . 1 1 52 52 HIS CB C 49 27.714 27.714 29.715 -2.001 17832 7218 1 19 . 1 1 52 52 HIS H H 49 8.117 8.117 8.532 -0.415 17832 7219 1 19 . 1 1 53 53 HIS N N 50 119.483 119.483 123.226 -3.743 17832 7220 1 19 . 1 1 53 53 HIS HA H 50 4.538 4.538 4.332 0.206 17832 7221 1 19 . 1 1 53 53 HIS C C 50 172.355 172.355 175.241 -2.886 17832 7222 1 19 . 1 1 53 53 HIS CA C 50 53.433 53.433 56.741 -3.308 17832 7223 1 19 . 1 1 53 53 HIS CB C 50 27.694 27.694 30.507 -2.813 17832 7224 1 19 . 1 1 53 53 HIS H H 50 8.068 8.068 8.522 -0.454 17832 7225 1 19 . 1 1 54 54 LYS N N 51 122.136 122.136 121.739 0.397 17832 7226 1 19 . 1 1 54 54 LYS HA H 51 4.215 4.215 4.217 -0.002 17832 7227 1 19 . 1 1 54 54 LYS C C 51 173.474 173.474 175.130 -1.656 17832 7228 1 19 . 1 1 54 54 LYS CA C 51 53.445 53.445 56.913 -3.468 17832 7229 1 19 . 1 1 54 54 LYS CB C 51 30.329 30.329 32.395 -2.066 17832 7230 1 19 . 1 1 54 54 LYS H H 51 8.121 8.121 8.485 -0.364 17832 7231 1 19 . 1 1 55 55 LYS N N 52 124.022 124.022 123.058 0.964 17832 7232 1 19 . 1 1 55 55 LYS HA H 52 4.508 4.508 4.508 -0.000 17832 7233 1 19 . 1 1 55 55 LYS C C 52 171.685 171.685 175.288 -3.603 17832 7234 1 19 . 1 1 55 55 LYS CA C 52 51.516 51.516 54.247 -2.731 17832 7235 1 19 . 1 1 55 55 LYS CB C 52 29.818 29.818 33.064 -3.246 17832 7236 1 19 . 1 1 55 55 LYS H H 52 8.262 8.262 8.155 0.107 17832 7237 1 19 . 1 1 56 56 PRO HA H 53 4.340 4.340 4.526 -0.186 17832 7238 1 19 . 1 1 56 56 PRO C C 53 173.830 173.830 176.574 -2.744 17832 7239 1 19 . 1 1 56 56 PRO CA C 53 60.496 60.496 62.934 -2.438 17832 7240 1 19 . 1 1 56 56 PRO CB C 53 29.444 29.444 31.325 -1.881 17832 7241 1 19 . 1 1 57 57 ARG N N 54 121.870 121.870 123.520 -1.650 17832 7242 1 19 . 1 1 57 57 ARG HA H 54 4.279 4.279 4.475 -0.196 17832 7243 1 19 . 1 1 57 57 ARG C C 54 173.560 173.560 176.426 -2.866 17832 7244 1 19 . 1 1 57 57 ARG CA C 54 53.172 53.172 54.780 -1.608 17832 7245 1 19 . 1 1 57 57 ARG CB C 54 28.273 28.273 30.970 -2.697 17832 7246 1 19 . 1 1 57 57 ARG H H 54 8.396 8.396 7.925 0.471 17832 7247 1 19 . 1 1 58 58 ILE N N 55 122.683 122.683 121.479 1.204 17832 7248 1 19 . 1 1 58 58 ILE HA H 55 4.117 4.117 4.097 0.020 17832 7249 1 19 . 1 1 58 58 ILE C C 55 173.034 173.034 175.484 -2.450 17832 7250 1 19 . 1 1 58 58 ILE CA C 55 58.378 58.378 60.805 -2.427 17832 7251 1 19 . 1 1 58 58 ILE CB C 55 36.113 36.113 36.324 -0.211 17832 7252 1 19 . 1 1 58 58 ILE H H 55 8.258 8.258 8.325 -0.067 17832 7253 1 19 . 1 1 59 59 ASP N N 56 123.975 123.975 128.638 -4.663 17832 7254 1 19 . 1 1 59 59 ASP HA H 56 4.581 4.581 4.819 -0.238 17832 7255 1 19 . 1 1 59 59 ASP C C 56 172.780 172.780 174.956 -2.176 17832 7256 1 19 . 1 1 59 59 ASP CA C 56 51.525 51.525 53.877 -2.352 17832 7257 1 19 . 1 1 59 59 ASP CB C 56 38.460 38.460 42.242 -3.781 17832 7258 1 19 . 1 1 59 59 ASP H H 56 8.364 8.364 8.601 -0.237 17832 7259 1 19 . 1 1 60 60 ASP N N 57 121.471 121.471 120.891 0.580 17832 7260 1 19 . 1 1 60 60 ASP HA H 57 4.563 4.563 4.726 -0.163 17832 7261 1 19 . 1 1 60 60 ASP C C 57 173.851 173.851 174.818 -0.967 17832 7262 1 19 . 1 1 60 60 ASP CA C 57 51.586 51.586 54.243 -2.657 17832 7263 1 19 . 1 1 60 60 ASP CB C 57 38.468 38.468 42.760 -4.292 17832 7264 1 19 . 1 1 60 60 ASP H H 57 8.393 8.393 8.317 0.076 17832 7265 1 19 . 1 1 61 61 SER N N 58 116.207 116.207 117.813 -1.606 17832 7266 1 19 . 1 1 61 61 SER C C 58 172.389 172.389 174.174 -1.785 17832 7267 1 19 . 1 1 61 61 SER CA C 58 56.129 56.129 58.240 -2.111 17832 7268 1 19 . 1 1 61 61 SER CB C 58 60.945 60.945 64.960 -4.015 17832 7269 1 19 . 1 1 61 61 SER H H 58 8.331 8.331 8.280 0.051 17832 7270 1 19 . 1 1 62 62 SER N N 59 117.805 117.805 118.732 -0.927 17832 7271 1 19 . 1 1 62 62 SER C C 59 171.778 171.778 173.840 -2.062 17832 7272 1 19 . 1 1 62 62 SER CA C 59 56.290 56.290 58.339 -2.049 17832 7273 1 19 . 1 1 62 62 SER CB C 59 60.930 60.930 63.666 -2.736 17832 7274 1 19 . 1 1 62 62 SER H H 59 8.334 8.334 8.178 0.156 17832 7275 1 19 . 1 1 63 63 ASP N N 60 122.124 122.124 120.601 1.523 17832 7276 1 19 . 1 1 63 63 ASP HA H 60 4.512 4.512 4.836 -0.324 17832 7277 1 19 . 1 1 63 63 ASP C C 60 173.550 173.550 175.373 -1.823 17832 7278 1 19 . 1 1 63 63 ASP CA C 60 51.916 51.916 53.604 -1.688 17832 7279 1 19 . 1 1 63 63 ASP CB C 60 38.264 38.264 43.183 -4.919 17832 7280 1 19 . 1 1 63 63 ASP H H 60 8.278 8.278 8.463 -0.185 17832 7281 1 19 . 1 1 64 64 LEU N N 61 121.450 121.450 121.463 -0.013 17832 7282 1 19 . 1 1 64 64 LEU HA H 61 4.223 4.223 4.448 -0.225 17832 7283 1 19 . 1 1 64 64 LEU C C 61 174.603 174.603 175.952 -1.349 17832 7284 1 19 . 1 1 64 64 LEU CA C 61 52.640 52.640 55.228 -2.588 17832 7285 1 19 . 1 1 64 64 LEU CB C 61 39.502 39.502 42.840 -3.338 17832 7286 1 19 . 1 1 64 64 LEU H H 61 7.931 7.931 8.266 -0.335 17832 7287 1 19 . 1 1 65 65 LEU N N 62 122.042 122.042 119.140 2.902 17832 7288 1 19 . 1 1 65 65 LEU HA H 62 4.273 4.273 4.213 0.060 17832 7289 1 19 . 1 1 65 65 LEU C C 62 174.372 174.372 176.968 -2.596 17832 7290 1 19 . 1 1 65 65 LEU CA C 62 52.339 52.339 55.753 -3.414 17832 7291 1 19 . 1 1 65 65 LEU CB C 62 39.426 39.426 41.518 -2.092 17832 7292 1 19 . 1 1 65 65 LEU H H 62 8.023 8.023 7.642 0.381 17832 7293 1 19 . 1 1 66 66 LYS N N 63 122.782 122.782 123.045 -0.263 17832 7294 1 19 . 1 1 66 66 LYS HA H 63 4.349 4.349 4.503 -0.154 17832 7295 1 19 . 1 1 66 66 LYS C C 63 173.936 173.936 175.582 -1.646 17832 7296 1 19 . 1 1 66 66 LYS CA C 63 53.305 53.305 55.703 -2.398 17832 7297 1 19 . 1 1 66 66 LYS CB C 63 30.305 30.305 32.547 -2.243 17832 7298 1 19 . 1 1 66 66 LYS H H 63 8.145 8.145 8.786 -0.641 17832 7299 1 19 . 1 1 67 67 THR N N 64 115.478 115.478 114.451 1.027 17832 7300 1 19 . 1 1 67 67 THR HA H 64 4.298 4.298 4.504 -0.206 17832 7301 1 19 . 1 1 67 67 THR C C 64 171.473 171.473 173.865 -2.392 17832 7302 1 19 . 1 1 67 67 THR CA C 64 58.943 58.943 61.774 -2.831 17832 7303 1 19 . 1 1 67 67 THR CB C 64 67.038 67.038 70.002 -2.964 17832 7304 1 19 . 1 1 67 67 THR H H 64 8.196 8.196 7.663 0.533 17832 7305 1 19 . 1 1 68 68 ASP N N 65 122.013 122.013 124.733 -2.720 17832 7306 1 19 . 1 1 68 68 ASP C C 65 173.191 173.191 175.287 -2.096 17832 7307 1 19 . 1 1 68 68 ASP CA C 65 51.628 51.628 53.364 -1.736 17832 7308 1 19 . 1 1 68 68 ASP CB C 65 38.495 38.495 42.795 -4.300 17832 7309 1 19 . 1 1 68 68 ASP H H 65 8.307 8.307 8.496 -0.189 17832 7310 1 19 . 1 1 69 69 GLU N N 66 121.260 121.260 120.112 1.148 17832 7311 1 19 . 1 1 69 69 GLU HA H 66 4.235 4.235 4.490 -0.255 17832 7312 1 19 . 1 1 69 69 GLU C C 66 172.706 172.706 175.944 -3.238 17832 7313 1 19 . 1 1 69 69 GLU CA C 66 53.881 53.881 56.377 -2.496 17832 7314 1 19 . 1 1 69 69 GLU CB C 66 27.731 27.731 29.681 -1.950 17832 7315 1 19 . 1 1 69 69 GLU H H 66 8.216 8.216 8.815 -0.599 17832 7316 1 20 . 1 1 3 3 MET C C 0 173.346 173.346 177.139 -3.793 17832 7317 1 20 . 1 1 3 3 MET CA C 0 52.930 52.930 55.728 -2.798 17832 7318 1 20 . 1 1 3 3 MET CB C 0 29.966 29.966 33.975 -4.009 17832 7319 1 20 . 1 1 4 4 MET N N 1 121.822 121.822 119.836 1.986 17832 7320 1 20 . 1 1 4 4 MET HA H 1 4.378 4.378 4.340 0.038 17832 7321 1 20 . 1 1 4 4 MET C C 1 173.585 173.585 176.169 -2.584 17832 7322 1 20 . 1 1 4 4 MET CA C 1 52.943 52.943 56.294 -3.351 17832 7323 1 20 . 1 1 4 4 MET CB C 1 30.112 30.112 32.871 -2.759 17832 7324 1 20 . 1 1 4 4 MET H H 1 8.553 8.553 7.986 0.567 17832 7325 1 20 . 1 1 5 5 SER N N 2 117.291 117.291 113.562 3.729 17832 7326 1 20 . 1 1 5 5 SER HA H 2 4.402 4.402 4.272 0.130 17832 7327 1 20 . 1 1 5 5 SER C C 2 171.427 171.427 173.056 -1.629 17832 7328 1 20 . 1 1 5 5 SER CA C 2 55.920 55.920 59.289 -3.369 17832 7329 1 20 . 1 1 5 5 SER CB C 2 61.033 61.033 62.543 -1.510 17832 7330 1 20 . 1 1 5 5 SER H H 2 8.337 8.337 8.553 -0.216 17832 7331 1 20 . 1 1 6 6 LYS N N 3 121.932 121.932 118.821 3.111 17832 7332 1 20 . 1 1 6 6 LYS HA H 3 4.282 4.282 4.513 -0.231 17832 7333 1 20 . 1 1 6 6 LYS C C 3 173.822 173.822 176.266 -2.444 17832 7334 1 20 . 1 1 6 6 LYS CA C 3 53.556 53.556 55.120 -1.564 17832 7335 1 20 . 1 1 6 6 LYS CB C 3 30.569 30.569 33.703 -3.134 17832 7336 1 20 . 1 1 6 6 LYS H H 3 8.216 8.216 7.626 0.590 17832 7337 1 20 . 1 1 7 7 LEU N N 4 123.131 123.131 120.197 2.934 17832 7338 1 20 . 1 1 7 7 LEU HA H 4 4.310 4.310 4.161 0.149 17832 7339 1 20 . 1 1 7 7 LEU C C 4 176.226 176.226 176.021 0.205 17832 7340 1 20 . 1 1 7 7 LEU CA C 4 52.753 52.753 55.295 -2.542 17832 7341 1 20 . 1 1 7 7 LEU CB C 4 39.626 39.626 40.978 -1.352 17832 7342 1 20 . 1 1 7 7 LEU H H 4 8.301 8.301 8.670 -0.369 17832 7343 1 20 . 1 1 8 8 PHE N N 5 122.547 122.547 120.424 2.123 17832 7344 1 20 . 1 1 8 8 PHE HA H 5 4.313 4.313 4.565 -0.252 17832 7345 1 20 . 1 1 8 8 PHE CA C 5 56.963 56.963 58.517 -1.554 17832 7346 1 20 . 1 1 8 8 PHE CB C 5 35.205 35.205 39.465 -4.260 17832 7347 1 20 . 1 1 8 8 PHE H H 5 8.764 8.764 8.250 0.514 17832 7348 1 20 . 1 1 9 9 LEU HA H 6 3.079 3.079 3.772 -0.693 17832 7349 1 20 . 1 1 9 9 LEU C C 6 175.830 175.830 178.439 -2.609 17832 7350 1 20 . 1 1 9 9 LEU CA C 6 54.075 54.075 57.849 -3.775 17832 7351 1 20 . 1 1 9 9 LEU CB C 6 38.429 38.429 41.128 -2.699 17832 7352 1 20 . 1 1 10 10 ASP N N 7 116.164 116.164 117.092 -0.928 17832 7353 1 20 . 1 1 10 10 ASP HA H 7 4.294 4.294 4.399 -0.105 17832 7354 1 20 . 1 1 10 10 ASP C C 7 174.240 174.240 177.381 -3.141 17832 7355 1 20 . 1 1 10 10 ASP CA C 7 53.201 53.201 56.471 -3.271 17832 7356 1 20 . 1 1 10 10 ASP CB C 7 37.826 37.826 40.639 -2.813 17832 7357 1 20 . 1 1 10 10 ASP H H 7 7.488 7.488 8.184 -0.696 17832 7358 1 20 . 1 1 11 11 GLU N N 8 116.711 116.711 117.969 -1.258 17832 7359 1 20 . 1 1 11 11 GLU HA H 8 4.296 4.296 4.171 0.125 17832 7360 1 20 . 1 1 11 11 GLU C C 8 173.322 173.322 177.446 -4.124 17832 7361 1 20 . 1 1 11 11 GLU CA C 8 53.231 53.231 58.083 -4.852 17832 7362 1 20 . 1 1 11 11 GLU CB C 8 27.333 27.333 30.172 -2.839 17832 7363 1 20 . 1 1 11 11 GLU H H 8 7.496 7.496 8.195 -0.699 17832 7364 1 20 . 1 1 12 12 LEU N N 9 117.751 117.751 117.762 -0.011 17832 7365 1 20 . 1 1 12 12 LEU HA H 9 4.313 4.313 4.443 -0.130 17832 7366 1 20 . 1 1 12 12 LEU C C 9 171.541 171.541 175.060 -3.519 17832 7367 1 20 . 1 1 12 12 LEU CA C 9 49.264 49.264 53.608 -4.344 17832 7368 1 20 . 1 1 12 12 LEU CB C 9 38.581 38.581 40.727 -2.146 17832 7369 1 20 . 1 1 12 12 LEU H H 9 6.803 6.803 7.227 -0.424 17832 7370 1 20 . 1 1 13 13 PRO HA H 10 4.311 4.311 4.290 0.021 17832 7371 1 20 . 1 1 13 13 PRO C C 10 174.746 174.746 177.387 -2.641 17832 7372 1 20 . 1 1 13 13 PRO CA C 10 60.083 60.083 62.990 -2.907 17832 7373 1 20 . 1 1 13 13 PRO CB C 10 29.131 29.131 32.561 -3.430 17832 7374 1 20 . 1 1 14 14 GLU N N 11 125.693 125.693 120.305 5.388 17832 7375 1 20 . 1 1 14 14 GLU HA H 11 3.854 3.854 4.008 -0.154 17832 7376 1 20 . 1 1 14 14 GLU C C 11 175.180 175.180 178.649 -3.469 17832 7377 1 20 . 1 1 14 14 GLU CA C 11 57.035 57.035 59.554 -2.519 17832 7378 1 20 . 1 1 14 14 GLU CB C 11 26.761 26.761 29.680 -2.918 17832 7379 1 20 . 1 1 14 14 GLU H H 11 8.777 8.777 8.755 0.022 17832 7380 1 20 . 1 1 15 15 SER N N 12 111.734 111.734 115.443 -3.709 17832 7381 1 20 . 1 1 15 15 SER HA H 12 3.884 3.884 4.233 -0.349 17832 7382 1 20 . 1 1 15 15 SER C C 12 173.687 173.687 176.601 -2.914 17832 7383 1 20 . 1 1 15 15 SER CA C 12 58.230 58.230 60.675 -2.445 17832 7384 1 20 . 1 1 15 15 SER CB C 12 58.977 58.977 62.787 -3.810 17832 7385 1 20 . 1 1 15 15 SER H H 12 8.563 8.563 8.238 0.325 17832 7386 1 20 . 1 1 16 16 LEU N N 13 122.925 122.925 120.414 2.511 17832 7387 1 20 . 1 1 16 16 LEU HA H 13 4.081 4.081 4.120 -0.039 17832 7388 1 20 . 1 1 16 16 LEU C C 13 175.385 175.385 178.088 -2.703 17832 7389 1 20 . 1 1 16 16 LEU CA C 13 54.057 54.057 56.673 -2.616 17832 7390 1 20 . 1 1 16 16 LEU CB C 13 39.498 39.498 41.818 -2.320 17832 7391 1 20 . 1 1 16 16 LEU H H 13 6.828 6.828 7.905 -1.077 17832 7392 1 20 . 1 1 17 17 SER N N 14 114.839 114.839 115.083 -0.244 17832 7393 1 20 . 1 1 17 17 SER HA H 14 3.585 3.585 3.951 -0.366 17832 7394 1 20 . 1 1 17 17 SER C C 14 175.435 175.435 176.513 -1.078 17832 7395 1 20 . 1 1 17 17 SER CA C 14 58.835 58.835 61.542 -2.707 17832 7396 1 20 . 1 1 17 17 SER CB C 14 59.345 59.345 62.805 -3.460 17832 7397 1 20 . 1 1 17 17 SER H H 14 8.266 8.266 7.616 0.650 17832 7398 1 20 . 1 1 18 18 ARG N N 15 121.474 121.474 120.469 1.005 17832 7399 1 20 . 1 1 18 18 ARG HA H 15 3.897 3.897 4.028 -0.131 17832 7400 1 20 . 1 1 18 18 ARG C C 15 176.749 176.749 178.593 -1.844 17832 7401 1 20 . 1 1 18 18 ARG CA C 15 56.827 56.827 59.207 -2.380 17832 7402 1 20 . 1 1 18 18 ARG CB C 15 27.154 27.154 30.128 -2.974 17832 7403 1 20 . 1 1 18 18 ARG H H 15 8.385 8.385 7.785 0.600 17832 7404 1 20 . 1 1 19 19 LYS N N 16 119.494 119.494 119.302 0.192 17832 7405 1 20 . 1 1 19 19 LYS HA H 16 3.947 3.947 4.119 -0.172 17832 7406 1 20 . 1 1 19 19 LYS C C 16 177.319 177.319 178.992 -1.673 17832 7407 1 20 . 1 1 19 19 LYS CA C 16 57.412 57.412 59.081 -1.669 17832 7408 1 20 . 1 1 19 19 LYS CB C 16 30.432 30.432 32.421 -1.989 17832 7409 1 20 . 1 1 19 19 LYS H H 16 7.269 7.269 7.573 -0.304 17832 7410 1 20 . 1 1 20 20 ILE N N 17 120.972 120.972 120.470 0.502 17832 7411 1 20 . 1 1 20 20 ILE HA H 17 2.813 2.813 3.756 -0.943 17832 7412 1 20 . 1 1 20 20 ILE C C 17 175.324 175.324 177.821 -2.497 17832 7413 1 20 . 1 1 20 20 ILE CA C 17 63.012 63.012 64.977 -1.965 17832 7414 1 20 . 1 1 20 20 ILE CB C 17 34.710 34.710 37.776 -3.067 17832 7415 1 20 . 1 1 20 20 ILE H H 17 7.993 7.993 7.908 0.085 17832 7416 1 20 . 1 1 21 21 GLY N N 18 106.894 106.894 106.424 0.470 17832 7417 1 20 . 1 1 21 21 GLY C C 18 173.161 173.161 175.963 -2.802 17832 7418 1 20 . 1 1 21 21 GLY CA C 18 44.450 44.450 47.563 -3.113 17832 7419 1 20 . 1 1 21 21 GLY H H 18 8.259 8.259 8.758 -0.499 17832 7420 1 20 . 1 1 22 22 THR N N 19 113.696 113.696 115.331 -1.635 17832 7421 1 20 . 1 1 22 22 THR HA H 19 3.946 3.946 4.256 -0.310 17832 7422 1 20 . 1 1 22 22 THR C C 19 173.081 173.081 175.867 -2.786 17832 7423 1 20 . 1 1 22 22 THR CA C 19 62.984 62.984 64.871 -1.887 17832 7424 1 20 . 1 1 22 22 THR CB C 19 66.403 66.403 68.889 -2.486 17832 7425 1 20 . 1 1 22 22 THR H H 19 7.502 7.502 7.454 0.048 17832 7426 1 20 . 1 1 23 23 VAL N N 20 123.120 123.120 120.059 3.061 17832 7427 1 20 . 1 1 23 23 VAL HA H 20 3.649 3.649 3.943 -0.294 17832 7428 1 20 . 1 1 23 23 VAL C C 20 174.858 174.858 178.327 -3.469 17832 7429 1 20 . 1 1 23 23 VAL CA C 20 62.761 62.761 65.121 -2.360 17832 7430 1 20 . 1 1 23 23 VAL CB C 20 29.222 29.222 31.844 -2.622 17832 7431 1 20 . 1 1 23 23 VAL H H 20 7.168 7.168 7.330 -0.162 17832 7432 1 20 . 1 1 24 24 VAL N N 21 119.729 119.729 120.405 -0.676 17832 7433 1 20 . 1 1 24 24 VAL HA H 21 3.541 3.541 3.669 -0.128 17832 7434 1 20 . 1 1 24 24 VAL C C 21 174.410 174.410 178.519 -4.109 17832 7435 1 20 . 1 1 24 24 VAL CA C 21 61.966 61.966 66.338 -4.372 17832 7436 1 20 . 1 1 24 24 VAL CB C 21 29.360 29.360 31.128 -1.768 17832 7437 1 20 . 1 1 24 24 VAL H H 21 8.129 8.129 8.766 -0.637 17832 7438 1 20 . 1 1 25 25 ARG N N 22 116.239 116.239 119.817 -3.578 17832 7439 1 20 . 1 1 25 25 ARG HA H 22 3.952 3.952 4.031 -0.079 17832 7440 1 20 . 1 1 25 25 ARG C C 22 174.899 174.899 177.711 -2.812 17832 7441 1 20 . 1 1 25 25 ARG CA C 22 56.097 56.097 59.087 -2.990 17832 7442 1 20 . 1 1 25 25 ARG CB C 22 27.473 27.473 30.172 -2.699 17832 7443 1 20 . 1 1 25 25 ARG H H 22 7.633 7.633 7.773 -0.140 17832 7444 1 20 . 1 1 26 26 VAL N N 23 115.006 115.006 116.996 -1.990 17832 7445 1 20 . 1 1 26 26 VAL HA H 23 3.995 3.995 3.918 0.077 17832 7446 1 20 . 1 1 26 26 VAL C C 23 173.187 173.187 176.375 -3.188 17832 7447 1 20 . 1 1 26 26 VAL CA C 23 61.107 61.107 64.575 -3.468 17832 7448 1 20 . 1 1 26 26 VAL CB C 23 29.977 29.977 32.775 -2.798 17832 7449 1 20 . 1 1 26 26 VAL H H 23 6.886 6.886 7.758 -0.872 17832 7450 1 20 . 1 1 27 27 LEU N N 24 120.940 120.940 119.545 1.395 17832 7451 1 20 . 1 1 27 27 LEU HA H 24 4.930 4.930 4.840 0.090 17832 7452 1 20 . 1 1 27 27 LEU C C 24 171.363 171.363 174.720 -3.357 17832 7453 1 20 . 1 1 27 27 LEU CA C 24 48.752 48.752 52.502 -3.750 17832 7454 1 20 . 1 1 27 27 LEU CB C 24 40.669 40.669 43.448 -2.779 17832 7455 1 20 . 1 1 27 27 LEU H H 24 8.338 8.338 7.584 0.754 17832 7456 1 20 . 1 1 28 28 PRO HA H 25 4.767 4.767 4.357 0.410 17832 7457 1 20 . 1 1 28 28 PRO C C 25 176.742 176.742 177.852 -1.110 17832 7458 1 20 . 1 1 28 28 PRO CA C 25 63.453 63.453 65.032 -1.579 17832 7459 1 20 . 1 1 28 28 PRO CB C 25 29.004 29.004 31.737 -2.733 17832 7460 1 20 . 1 1 29 29 SER N N 26 111.726 111.726 113.225 -1.499 17832 7461 1 20 . 1 1 29 29 SER HA H 26 4.422 4.422 4.346 0.076 17832 7462 1 20 . 1 1 29 29 SER C C 26 172.811 172.811 176.010 -3.199 17832 7463 1 20 . 1 1 29 29 SER CA C 26 57.331 57.331 60.978 -3.647 17832 7464 1 20 . 1 1 29 29 SER CB C 26 59.552 59.552 62.808 -3.256 17832 7465 1 20 . 1 1 29 29 SER H H 26 8.279 8.279 8.523 -0.244 17832 7466 1 20 . 1 1 30 30 SER N N 27 116.503 116.503 118.829 -2.326 17832 7467 1 20 . 1 1 30 30 SER HA H 27 4.103 4.103 4.148 -0.045 17832 7468 1 20 . 1 1 30 30 SER C C 27 174.324 174.324 176.570 -2.246 17832 7469 1 20 . 1 1 30 30 SER CA C 27 58.661 58.661 61.037 -2.376 17832 7470 1 20 . 1 1 30 30 SER CB C 27 61.593 61.593 63.040 -1.447 17832 7471 1 20 . 1 1 30 30 SER H H 27 8.642 8.642 8.017 0.625 17832 7472 1 20 . 1 1 31 31 LEU N N 28 126.322 126.322 120.989 5.333 17832 7473 1 20 . 1 1 31 31 LEU HA H 28 4.281 4.281 4.388 -0.107 17832 7474 1 20 . 1 1 31 31 LEU C C 28 175.385 175.385 177.803 -2.418 17832 7475 1 20 . 1 1 31 31 LEU CA C 28 56.992 56.992 57.844 -0.852 17832 7476 1 20 . 1 1 31 31 LEU CB C 28 38.241 38.241 41.796 -3.555 17832 7477 1 20 . 1 1 31 31 LEU H H 28 7.634 7.634 7.833 -0.199 17832 7478 1 20 . 1 1 32 32 GLU N N 29 114.812 114.812 119.008 -4.196 17832 7479 1 20 . 1 1 32 32 GLU HA H 29 4.230 4.230 3.925 0.305 17832 7480 1 20 . 1 1 32 32 GLU C C 29 175.711 175.711 178.812 -3.101 17832 7481 1 20 . 1 1 32 32 GLU CA C 29 56.205 56.205 59.234 -3.029 17832 7482 1 20 . 1 1 32 32 GLU CB C 29 26.903 26.903 29.378 -2.475 17832 7483 1 20 . 1 1 32 32 GLU H H 29 8.283 8.283 7.710 0.573 17832 7484 1 20 . 1 1 33 33 ILE N N 30 121.972 121.972 118.919 3.053 17832 7485 1 20 . 1 1 33 33 ILE HA H 30 3.773 3.773 3.557 0.216 17832 7486 1 20 . 1 1 33 33 ILE C C 30 175.177 175.177 177.990 -2.813 17832 7487 1 20 . 1 1 33 33 ILE CA C 30 62.116 62.116 64.912 -2.796 17832 7488 1 20 . 1 1 33 33 ILE CB C 30 35.018 35.018 37.595 -2.577 17832 7489 1 20 . 1 1 33 33 ILE H H 30 7.477 7.477 7.228 0.249 17832 7490 1 20 . 1 1 34 34 PHE N N 31 117.727 117.727 117.662 0.065 17832 7491 1 20 . 1 1 34 34 PHE HA H 31 4.208 4.208 4.126 0.082 17832 7492 1 20 . 1 1 34 34 PHE C C 31 174.731 174.731 177.963 -3.232 17832 7493 1 20 . 1 1 34 34 PHE CA C 31 61.035 61.035 60.461 0.574 17832 7494 1 20 . 1 1 34 34 PHE CB C 31 36.224 36.224 37.667 -1.443 17832 7495 1 20 . 1 1 34 34 PHE H H 31 8.137 8.137 7.160 0.977 17832 7496 1 20 . 1 1 35 35 GLU N N 32 118.271 118.271 119.987 -1.716 17832 7497 1 20 . 1 1 35 35 GLU HA H 32 2.721 2.721 3.519 -0.798 17832 7498 1 20 . 1 1 35 35 GLU C C 32 174.785 174.785 178.976 -4.191 17832 7499 1 20 . 1 1 35 35 GLU CA C 32 57.304 57.304 60.132 -2.828 17832 7500 1 20 . 1 1 35 35 GLU CB C 32 26.997 26.997 29.118 -2.121 17832 7501 1 20 . 1 1 35 35 GLU H H 32 8.249 8.249 8.094 0.155 17832 7502 1 20 . 1 1 36 36 GLU N N 33 119.678 119.678 118.764 0.914 17832 7503 1 20 . 1 1 36 36 GLU HA H 33 3.887 3.887 4.191 -0.304 17832 7504 1 20 . 1 1 36 36 GLU C C 33 176.760 176.760 178.609 -1.849 17832 7505 1 20 . 1 1 36 36 GLU CA C 33 57.241 57.241 58.419 -1.178 17832 7506 1 20 . 1 1 36 36 GLU CB C 33 26.806 26.806 29.980 -3.174 17832 7507 1 20 . 1 1 36 36 GLU H H 33 7.971 7.971 7.662 0.309 17832 7508 1 20 . 1 1 37 37 LEU N N 34 120.144 120.144 122.077 -1.933 17832 7509 1 20 . 1 1 37 37 LEU HA H 34 4.280 4.280 4.202 0.078 17832 7510 1 20 . 1 1 37 37 LEU C C 34 174.327 174.327 178.295 -3.968 17832 7511 1 20 . 1 1 37 37 LEU CA C 34 55.502 55.502 58.183 -2.681 17832 7512 1 20 . 1 1 37 37 LEU CB C 34 39.354 39.354 41.558 -2.204 17832 7513 1 20 . 1 1 37 37 LEU H H 34 8.278 8.278 7.668 0.610 17832 7514 1 20 . 1 1 38 38 TYR N N 35 119.703 119.703 119.930 -0.227 17832 7515 1 20 . 1 1 38 38 TYR HA H 35 4.070 4.070 4.098 -0.028 17832 7516 1 20 . 1 1 38 38 TYR C C 35 173.298 173.298 177.546 -4.248 17832 7517 1 20 . 1 1 38 38 TYR CA C 35 59.098 59.098 61.519 -2.421 17832 7518 1 20 . 1 1 38 38 TYR CB C 35 36.534 36.534 37.752 -1.218 17832 7519 1 20 . 1 1 38 38 TYR H H 35 8.417 8.417 9.063 -0.646 17832 7520 1 20 . 1 1 39 39 LYS N N 36 115.392 115.392 118.587 -3.195 17832 7521 1 20 . 1 1 39 39 LYS HA H 36 3.621 3.621 3.497 0.124 17832 7522 1 20 . 1 1 39 39 LYS C C 36 176.456 176.456 178.384 -1.928 17832 7523 1 20 . 1 1 39 39 LYS CA C 36 57.011 57.011 57.724 -0.713 17832 7524 1 20 . 1 1 39 39 LYS CB C 36 29.694 29.694 32.071 -2.377 17832 7525 1 20 . 1 1 39 39 LYS H H 36 8.441 8.441 7.591 0.850 17832 7526 1 20 . 1 1 40 40 TYR N N 37 120.325 120.325 120.467 -0.142 17832 7527 1 20 . 1 1 40 40 TYR HA H 37 4.078 4.078 4.140 -0.062 17832 7528 1 20 . 1 1 40 40 TYR C C 37 175.043 175.043 177.629 -2.586 17832 7529 1 20 . 1 1 40 40 TYR CA C 37 58.971 58.971 61.073 -2.102 17832 7530 1 20 . 1 1 40 40 TYR CB C 37 35.875 35.875 38.620 -2.745 17832 7531 1 20 . 1 1 40 40 TYR H H 37 8.344 8.344 7.602 0.742 17832 7532 1 20 . 1 1 41 41 ALA N N 38 121.802 121.802 121.570 0.232 17832 7533 1 20 . 1 1 41 41 ALA HA H 38 3.746 3.746 4.124 -0.378 17832 7534 1 20 . 1 1 41 41 ALA C C 38 175.962 175.962 179.153 -3.191 17832 7535 1 20 . 1 1 41 41 ALA CA C 38 51.780 51.780 54.691 -2.911 17832 7536 1 20 . 1 1 41 41 ALA CB C 38 17.381 17.381 17.964 -0.583 17832 7537 1 20 . 1 1 41 41 ALA H H 38 8.291 8.291 8.553 -0.262 17832 7538 1 20 . 1 1 42 42 LEU N N 39 116.563 116.563 117.662 -1.099 17832 7539 1 20 . 1 1 42 42 LEU HA H 39 3.820 3.820 3.915 -0.095 17832 7540 1 20 . 1 1 42 42 LEU C C 39 176.020 176.020 178.911 -2.891 17832 7541 1 20 . 1 1 42 42 LEU CA C 39 54.011 54.011 57.421 -3.410 17832 7542 1 20 . 1 1 42 42 LEU CB C 39 39.796 39.796 41.521 -1.725 17832 7543 1 20 . 1 1 42 42 LEU H H 39 7.865 7.865 7.474 0.391 17832 7544 1 20 . 1 1 43 43 ASN N N 40 115.561 115.561 116.799 -1.238 17832 7545 1 20 . 1 1 43 43 ASN HA H 40 4.436 4.436 4.601 -0.165 17832 7546 1 20 . 1 1 43 43 ASN C C 40 173.390 173.390 177.256 -3.866 17832 7547 1 20 . 1 1 43 43 ASN CA C 40 51.492 51.492 55.162 -3.670 17832 7548 1 20 . 1 1 43 43 ASN CB C 40 36.401 36.401 38.629 -2.228 17832 7549 1 20 . 1 1 43 43 ASN H H 40 7.467 7.467 7.565 -0.098 17832 7550 1 20 . 1 1 44 44 GLU N N 41 120.609 120.609 118.973 1.636 17832 7551 1 20 . 1 1 44 44 GLU HA H 41 3.986 3.986 3.982 0.004 17832 7552 1 20 . 1 1 44 44 GLU C C 41 174.161 174.161 177.319 -3.158 17832 7553 1 20 . 1 1 44 44 GLU CA C 41 54.775 54.775 58.949 -4.174 17832 7554 1 20 . 1 1 44 44 GLU CB C 41 27.094 27.094 29.224 -2.130 17832 7555 1 20 . 1 1 44 44 GLU H H 41 7.817 7.817 7.560 0.257 17832 7556 1 20 . 1 1 45 45 ASN N N 42 118.453 118.453 116.064 2.389 17832 7557 1 20 . 1 1 45 45 ASN HA H 42 4.618 4.618 4.483 0.135 17832 7558 1 20 . 1 1 45 45 ASN C C 42 172.912 172.912 176.038 -3.126 17832 7559 1 20 . 1 1 45 45 ASN CA C 42 50.988 50.988 54.177 -3.189 17832 7560 1 20 . 1 1 45 45 ASN CB C 42 36.267 36.267 38.141 -1.874 17832 7561 1 20 . 1 1 45 45 ASN H H 42 8.087 8.087 7.985 0.102 17832 7562 1 20 . 1 1 46 46 SER N N 43 115.581 115.581 116.579 -0.998 17832 7563 1 20 . 1 1 46 46 SER HA H 43 4.292 4.292 4.497 -0.205 17832 7564 1 20 . 1 1 46 46 SER C C 43 172.136 172.136 173.808 -1.672 17832 7565 1 20 . 1 1 46 46 SER CA C 43 56.202 56.202 58.260 -2.058 17832 7566 1 20 . 1 1 46 46 SER CB C 43 60.909 60.909 64.453 -3.544 17832 7567 1 20 . 1 1 46 46 SER H H 43 8.062 8.062 7.807 0.255 17832 7568 1 20 . 1 1 47 47 ASN N N 44 120.517 120.517 118.955 1.562 17832 7569 1 20 . 1 1 47 47 ASN HA H 44 4.617 4.617 4.847 -0.230 17832 7570 1 20 . 1 1 47 47 ASN C C 44 172.545 172.545 173.585 -1.040 17832 7571 1 20 . 1 1 47 47 ASN CA C 44 51.174 51.174 53.607 -2.433 17832 7572 1 20 . 1 1 47 47 ASN CB C 44 36.208 36.208 39.215 -3.007 17832 7573 1 20 . 1 1 47 47 ASN H H 44 8.329 8.329 8.591 -0.262 17832 7574 1 20 . 1 1 48 48 ASP N N 45 120.294 120.294 120.719 -0.425 17832 7575 1 20 . 1 1 48 48 ASP HA H 45 4.500 4.500 4.574 -0.074 17832 7576 1 20 . 1 1 48 48 ASP C C 45 173.835 173.835 175.957 -2.122 17832 7577 1 20 . 1 1 48 48 ASP CA C 45 52.030 52.030 53.679 -1.649 17832 7578 1 20 . 1 1 48 48 ASP CB C 45 38.326 38.326 41.370 -3.044 17832 7579 1 20 . 1 1 48 48 ASP H H 45 8.220 8.220 8.027 0.193 17832 7580 1 20 . 1 1 49 49 ARG N N 46 121.139 121.139 120.351 0.788 17832 7581 1 20 . 1 1 49 49 ARG HA H 46 4.274 4.274 4.074 0.200 17832 7582 1 20 . 1 1 49 49 ARG C C 46 174.032 174.032 175.551 -1.519 17832 7583 1 20 . 1 1 49 49 ARG CA C 46 53.425 53.425 57.100 -3.675 17832 7584 1 20 . 1 1 49 49 ARG CB C 46 27.615 27.615 29.816 -2.201 17832 7585 1 20 . 1 1 49 49 ARG H H 46 8.180 8.180 8.889 -0.709 17832 7586 1 20 . 1 1 50 50 SER N N 47 116.289 116.289 112.819 3.470 17832 7587 1 20 . 1 1 50 50 SER HA H 47 4.269 4.269 4.384 -0.115 17832 7588 1 20 . 1 1 50 50 SER C C 47 172.337 172.337 174.634 -2.297 17832 7589 1 20 . 1 1 50 50 SER CA C 47 56.379 56.379 59.075 -2.696 17832 7590 1 20 . 1 1 50 50 SER CB C 47 60.970 60.970 63.813 -2.843 17832 7591 1 20 . 1 1 50 50 SER H H 47 8.236 8.236 8.361 -0.125 17832 7592 1 20 . 1 1 51 51 GLU N N 48 122.019 122.019 121.781 0.238 17832 7593 1 20 . 1 1 51 51 GLU HA H 48 4.134 4.134 4.634 -0.500 17832 7594 1 20 . 1 1 51 51 GLU C C 48 174.002 174.002 176.551 -2.549 17832 7595 1 20 . 1 1 51 51 GLU CA C 48 54.285 54.285 56.287 -2.002 17832 7596 1 20 . 1 1 51 51 GLU CB C 48 27.192 27.192 30.567 -3.375 17832 7597 1 20 . 1 1 51 51 GLU H H 48 8.423 8.423 8.322 0.101 17832 7598 1 20 . 1 1 52 52 HIS N N 49 119.075 119.075 118.431 0.644 17832 7599 1 20 . 1 1 52 52 HIS HA H 49 4.486 4.486 4.819 -0.333 17832 7600 1 20 . 1 1 52 52 HIS C C 49 172.663 172.663 175.664 -3.001 17832 7601 1 20 . 1 1 52 52 HIS CA C 49 53.775 53.775 54.919 -1.144 17832 7602 1 20 . 1 1 52 52 HIS CB C 49 27.714 27.714 31.029 -3.315 17832 7603 1 20 . 1 1 52 52 HIS H H 49 8.117 8.117 8.554 -0.437 17832 7604 1 20 . 1 1 53 53 HIS N N 50 119.483 119.483 120.795 -1.312 17832 7605 1 20 . 1 1 53 53 HIS HA H 50 4.538 4.538 4.529 0.009 17832 7606 1 20 . 1 1 53 53 HIS C C 50 172.355 172.355 175.008 -2.653 17832 7607 1 20 . 1 1 53 53 HIS CA C 50 53.433 53.433 56.172 -2.739 17832 7608 1 20 . 1 1 53 53 HIS CB C 50 27.694 27.694 28.931 -1.238 17832 7609 1 20 . 1 1 53 53 HIS H H 50 8.068 8.068 8.682 -0.614 17832 7610 1 20 . 1 1 54 54 LYS N N 51 122.136 122.136 124.810 -2.674 17832 7611 1 20 . 1 1 54 54 LYS HA H 51 4.215 4.215 4.609 -0.394 17832 7612 1 20 . 1 1 54 54 LYS C C 51 173.474 173.474 176.073 -2.599 17832 7613 1 20 . 1 1 54 54 LYS CA C 51 53.445 53.445 55.940 -2.495 17832 7614 1 20 . 1 1 54 54 LYS CB C 51 30.329 30.329 33.472 -3.143 17832 7615 1 20 . 1 1 54 54 LYS H H 51 8.121 8.121 8.308 -0.187 17832 7616 1 20 . 1 1 55 55 LYS N N 52 124.022 124.022 118.904 5.118 17832 7617 1 20 . 1 1 55 55 LYS HA H 52 4.508 4.508 4.381 0.127 17832 7618 1 20 . 1 1 55 55 LYS C C 52 171.685 171.685 173.998 -2.313 17832 7619 1 20 . 1 1 55 55 LYS CA C 52 51.516 51.516 56.489 -4.973 17832 7620 1 20 . 1 1 55 55 LYS CB C 52 29.818 29.818 32.072 -2.254 17832 7621 1 20 . 1 1 55 55 LYS H H 52 8.262 8.262 8.542 -0.280 17832 7622 1 20 . 1 1 56 56 PRO HA H 53 4.340 4.340 4.503 -0.163 17832 7623 1 20 . 1 1 56 56 PRO C C 53 173.830 173.830 176.486 -2.656 17832 7624 1 20 . 1 1 56 56 PRO CA C 53 60.496 60.496 63.415 -2.919 17832 7625 1 20 . 1 1 56 56 PRO CB C 53 29.444 29.444 31.607 -2.163 17832 7626 1 20 . 1 1 57 57 ARG N N 54 121.870 121.870 122.672 -0.802 17832 7627 1 20 . 1 1 57 57 ARG HA H 54 4.279 4.279 4.554 -0.275 17832 7628 1 20 . 1 1 57 57 ARG C C 54 173.560 173.560 175.935 -2.375 17832 7629 1 20 . 1 1 57 57 ARG CA C 54 53.172 53.172 55.496 -2.324 17832 7630 1 20 . 1 1 57 57 ARG CB C 54 28.273 28.273 29.919 -1.646 17832 7631 1 20 . 1 1 57 57 ARG H H 54 8.396 8.396 8.183 0.213 17832 7632 1 20 . 1 1 58 58 ILE N N 55 122.683 122.683 121.136 1.547 17832 7633 1 20 . 1 1 58 58 ILE HA H 55 4.117 4.117 3.752 0.365 17832 7634 1 20 . 1 1 58 58 ILE C C 55 173.034 173.034 175.019 -1.985 17832 7635 1 20 . 1 1 58 58 ILE CA C 55 58.378 58.378 62.537 -4.159 17832 7636 1 20 . 1 1 58 58 ILE CB C 55 36.113 36.113 36.146 -0.033 17832 7637 1 20 . 1 1 58 58 ILE H H 55 8.258 8.258 8.457 -0.199 17832 7638 1 20 . 1 1 59 59 ASP N N 56 123.975 123.975 125.633 -1.658 17832 7639 1 20 . 1 1 59 59 ASP HA H 56 4.581 4.581 4.691 -0.110 17832 7640 1 20 . 1 1 59 59 ASP C C 56 172.780 172.780 175.665 -2.885 17832 7641 1 20 . 1 1 59 59 ASP CA C 56 51.525 51.525 53.531 -2.006 17832 7642 1 20 . 1 1 59 59 ASP CB C 56 38.460 38.460 43.095 -4.635 17832 7643 1 20 . 1 1 59 59 ASP H H 56 8.364 8.364 8.160 0.204 17832 7644 1 20 . 1 1 60 60 ASP N N 57 121.471 121.471 122.251 -0.780 17832 7645 1 20 . 1 1 60 60 ASP HA H 57 4.563 4.563 4.759 -0.196 17832 7646 1 20 . 1 1 60 60 ASP C C 57 173.851 173.851 175.345 -1.494 17832 7647 1 20 . 1 1 60 60 ASP CA C 57 51.586 51.586 54.316 -2.730 17832 7648 1 20 . 1 1 60 60 ASP CB C 57 38.468 38.468 41.312 -2.844 17832 7649 1 20 . 1 1 60 60 ASP H H 57 8.393 8.393 8.470 -0.077 17832 7650 1 20 . 1 1 61 61 SER N N 58 116.207 116.207 115.809 0.398 17832 7651 1 20 . 1 1 61 61 SER C C 58 172.389 172.389 173.823 -1.434 17832 7652 1 20 . 1 1 61 61 SER CA C 58 56.129 56.129 58.232 -2.103 17832 7653 1 20 . 1 1 61 61 SER CB C 58 60.945 60.945 63.247 -2.302 17832 7654 1 20 . 1 1 61 61 SER H H 58 8.331 8.331 7.719 0.612 17832 7655 1 20 . 1 1 62 62 SER N N 59 117.805 117.805 116.247 1.558 17832 7656 1 20 . 1 1 62 62 SER C C 59 171.778 171.778 173.463 -1.685 17832 7657 1 20 . 1 1 62 62 SER CA C 59 56.290 56.290 58.129 -1.839 17832 7658 1 20 . 1 1 62 62 SER CB C 59 60.930 60.930 63.505 -2.575 17832 7659 1 20 . 1 1 62 62 SER H H 59 8.334 8.334 8.038 0.296 17832 7660 1 20 . 1 1 63 63 ASP N N 60 122.124 122.124 123.191 -1.067 17832 7661 1 20 . 1 1 63 63 ASP HA H 60 4.512 4.512 4.778 -0.266 17832 7662 1 20 . 1 1 63 63 ASP C C 60 173.550 173.550 175.153 -1.603 17832 7663 1 20 . 1 1 63 63 ASP CA C 60 51.916 51.916 54.264 -2.348 17832 7664 1 20 . 1 1 63 63 ASP CB C 60 38.264 38.264 41.492 -3.228 17832 7665 1 20 . 1 1 63 63 ASP H H 60 8.278 8.278 8.147 0.131 17832 7666 1 20 . 1 1 64 64 LEU N N 61 121.450 121.450 124.039 -2.589 17832 7667 1 20 . 1 1 64 64 LEU HA H 61 4.223 4.223 4.731 -0.508 17832 7668 1 20 . 1 1 64 64 LEU C C 61 174.603 174.603 175.173 -0.570 17832 7669 1 20 . 1 1 64 64 LEU CA C 61 52.640 52.640 55.160 -2.520 17832 7670 1 20 . 1 1 64 64 LEU CB C 61 39.502 39.502 43.854 -4.352 17832 7671 1 20 . 1 1 64 64 LEU H H 61 7.931 7.931 8.448 -0.517 17832 7672 1 20 . 1 1 65 65 LEU N N 62 122.042 122.042 124.896 -2.854 17832 7673 1 20 . 1 1 65 65 LEU HA H 62 4.273 4.273 4.566 -0.293 17832 7674 1 20 . 1 1 65 65 LEU C C 62 174.372 174.372 175.908 -1.536 17832 7675 1 20 . 1 1 65 65 LEU CA C 62 52.339 52.339 55.398 -3.059 17832 7676 1 20 . 1 1 65 65 LEU CB C 62 39.426 39.426 43.686 -4.260 17832 7677 1 20 . 1 1 65 65 LEU H H 62 8.023 8.023 8.166 -0.143 17832 7678 1 20 . 1 1 66 66 LYS N N 63 122.782 122.782 122.780 0.002 17832 7679 1 20 . 1 1 66 66 LYS HA H 63 4.349 4.349 4.603 -0.254 17832 7680 1 20 . 1 1 66 66 LYS C C 63 173.936 173.936 176.267 -2.331 17832 7681 1 20 . 1 1 66 66 LYS CA C 63 53.305 53.305 56.293 -2.988 17832 7682 1 20 . 1 1 66 66 LYS CB C 63 30.305 30.305 33.448 -3.143 17832 7683 1 20 . 1 1 66 66 LYS H H 63 8.145 8.145 8.563 -0.418 17832 7684 1 20 . 1 1 67 67 THR N N 64 115.478 115.478 115.489 -0.011 17832 7685 1 20 . 1 1 67 67 THR HA H 64 4.298 4.298 4.536 -0.238 17832 7686 1 20 . 1 1 67 67 THR C C 64 171.473 171.473 173.309 -1.836 17832 7687 1 20 . 1 1 67 67 THR CA C 64 58.943 58.943 61.385 -2.442 17832 7688 1 20 . 1 1 67 67 THR CB C 64 67.038 67.038 70.547 -3.509 17832 7689 1 20 . 1 1 67 67 THR H H 64 8.196 8.196 7.619 0.577 17832 7690 1 20 . 1 1 68 68 ASP N N 65 122.013 122.013 123.315 -1.302 17832 7691 1 20 . 1 1 68 68 ASP C C 65 173.191 173.191 175.489 -2.298 17832 7692 1 20 . 1 1 68 68 ASP CA C 65 51.628 51.628 54.364 -2.736 17832 7693 1 20 . 1 1 68 68 ASP CB C 65 38.495 38.495 41.525 -3.030 17832 7694 1 20 . 1 1 68 68 ASP H H 65 8.307 8.307 8.524 -0.217 17832 7695 1 20 . 1 1 69 69 GLU N N 66 121.260 121.260 123.475 -2.215 17832 7696 1 20 . 1 1 69 69 GLU HA H 66 4.235 4.235 4.376 -0.141 17832 7697 1 20 . 1 1 69 69 GLU C C 66 172.706 172.706 176.439 -3.733 17832 7698 1 20 . 1 1 69 69 GLU CA C 66 53.881 53.881 56.067 -2.186 17832 7699 1 20 . 1 1 69 69 GLU CB C 66 27.731 27.731 30.203 -2.473 17832 7700 1 20 . 1 1 69 69 GLU H H 66 8.216 8.216 8.834 -0.618 17832 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 62 2.549 0.054 2.569 17832 2 1 1 "Average Difference" HA 64 0.311 0.153 0.273 17832 3 1 1 "Average Difference" C 66 2.608 2.454 0.890 17832 4 1 1 "Average Difference" CA 67 2.742 2.575 0.949 17832 5 1 1 "Average Difference" CB 66 2.905 2.800 0.780 17832 6 1 1 "Average Difference" HN 62 0.449 -0.039 0.451 17832 7 1 2 "Average Difference" N 62 2.429 -0.156 2.444 17832 8 1 2 "Average Difference" HA 64 0.359 0.195 0.304 17832 9 1 2 "Average Difference" C 66 2.645 2.420 1.075 17832 10 1 2 "Average Difference" CA 67 2.745 2.584 0.932 17832 11 1 2 "Average Difference" CB 66 2.970 2.847 0.853 17832 12 1 2 "Average Difference" HN 62 0.458 -0.027 0.460 17832 13 1 3 "Average Difference" N 62 2.381 0.096 2.399 17832 14 1 3 "Average Difference" HA 64 0.354 0.188 0.302 17832 15 1 3 "Average Difference" C 66 2.582 2.404 0.947 17832 16 1 3 "Average Difference" CA 67 2.648 2.497 0.886 17832 17 1 3 "Average Difference" CB 66 2.968 2.810 0.963 17832 18 1 3 "Average Difference" HN 62 0.499 -0.021 0.502 17832 19 1 4 "Average Difference" N 62 2.086 0.001 2.103 17832 20 1 4 "Average Difference" HA 64 0.370 0.144 0.344 17832 21 1 4 "Average Difference" C 66 2.797 2.625 0.973 17832 22 1 4 "Average Difference" CA 67 2.901 2.719 1.019 17832 23 1 4 "Average Difference" CB 66 2.838 2.685 0.925 17832 24 1 4 "Average Difference" HN 62 0.511 -0.038 0.513 17832 25 1 5 "Average Difference" N 62 2.425 -0.124 2.442 17832 26 1 5 "Average Difference" HA 64 0.331 0.149 0.298 17832 27 1 5 "Average Difference" C 66 2.553 2.397 0.887 17832 28 1 5 "Average Difference" CA 67 2.659 2.490 0.942 17832 29 1 5 "Average Difference" CB 66 2.969 2.794 1.011 17832 30 1 5 "Average Difference" HN 62 0.484 0.036 0.486 17832 31 1 6 "Average Difference" N 62 2.674 -0.045 2.695 17832 32 1 6 "Average Difference" HA 64 0.382 0.185 0.337 17832 33 1 6 "Average Difference" C 66 2.564 2.376 0.971 17832 34 1 6 "Average Difference" CA 67 2.523 2.330 0.975 17832 35 1 6 "Average Difference" CB 66 2.876 2.722 0.934 17832 36 1 6 "Average Difference" HN 62 0.546 -0.046 0.548 17832 37 1 7 "Average Difference" N 62 2.482 0.107 2.500 17832 38 1 7 "Average Difference" HA 64 0.355 0.158 0.321 17832 39 1 7 "Average Difference" C 66 2.526 2.339 0.959 17832 40 1 7 "Average Difference" CA 67 2.641 2.488 0.893 17832 41 1 7 "Average Difference" CB 66 2.771 2.631 0.875 17832 42 1 7 "Average Difference" HN 62 0.511 -0.052 0.512 17832 43 1 8 "Average Difference" N 62 2.101 0.307 2.095 17832 44 1 8 "Average Difference" HA 64 0.363 0.169 0.324 17832 45 1 8 "Average Difference" C 66 2.680 2.536 0.874 17832 46 1 8 "Average Difference" CA 67 2.818 2.630 1.020 17832 47 1 8 "Average Difference" CB 66 2.829 2.696 0.863 17832 48 1 8 "Average Difference" HN 62 0.462 0.030 0.465 17832 49 1 9 "Average Difference" N 62 2.636 -0.098 2.655 17832 50 1 9 "Average Difference" HA 64 0.316 0.135 0.288 17832 51 1 9 "Average Difference" C 66 2.630 2.465 0.926 17832 52 1 9 "Average Difference" CA 67 2.898 2.666 1.145 17832 53 1 9 "Average Difference" CB 66 2.976 2.811 0.984 17832 54 1 9 "Average Difference" HN 62 0.478 -0.034 0.480 17832 55 1 10 "Average Difference" N 62 2.148 0.134 2.161 17832 56 1 10 "Average Difference" HA 64 0.389 0.130 0.369 17832 57 1 10 "Average Difference" C 66 2.619 2.430 0.986 17832 58 1 10 "Average Difference" CA 67 2.831 2.612 1.100 17832 59 1 10 "Average Difference" CB 66 2.780 2.613 0.956 17832 60 1 10 "Average Difference" HN 62 0.462 -0.012 0.466 17832 61 1 11 "Average Difference" N 62 2.547 -0.146 2.564 17832 62 1 11 "Average Difference" HA 64 0.357 0.152 0.326 17832 63 1 11 "Average Difference" C 66 2.666 2.502 0.928 17832 64 1 11 "Average Difference" CA 67 2.690 2.522 0.941 17832 65 1 11 "Average Difference" CB 66 2.871 2.701 0.980 17832 66 1 11 "Average Difference" HN 62 0.468 -0.011 0.472 17832 67 1 12 "Average Difference" N 62 2.516 -0.241 2.525 17832 68 1 12 "Average Difference" HA 64 0.350 0.132 0.327 17832 69 1 12 "Average Difference" C 66 2.727 2.558 0.953 17832 70 1 12 "Average Difference" CA 67 2.783 2.596 1.011 17832 71 1 12 "Average Difference" CB 66 2.743 2.590 0.911 17832 72 1 12 "Average Difference" HN 62 0.488 0.013 0.492 17832 73 1 13 "Average Difference" N 62 2.197 -0.104 2.213 17832 74 1 13 "Average Difference" HA 64 0.359 0.140 0.333 17832 75 1 13 "Average Difference" C 66 2.589 2.432 0.896 17832 76 1 13 "Average Difference" CA 67 2.819 2.650 0.967 17832 77 1 13 "Average Difference" CB 66 2.762 2.664 0.733 17832 78 1 13 "Average Difference" HN 62 0.517 -0.069 0.517 17832 79 1 14 "Average Difference" N 62 2.656 -0.320 2.658 17832 80 1 14 "Average Difference" HA 64 0.352 0.159 0.317 17832 81 1 14 "Average Difference" C 66 2.612 2.443 0.933 17832 82 1 14 "Average Difference" CA 67 2.784 2.608 0.981 17832 83 1 14 "Average Difference" CB 66 2.886 2.753 0.871 17832 84 1 14 "Average Difference" HN 62 0.481 -0.044 0.483 17832 85 1 15 "Average Difference" N 62 2.288 -0.108 2.304 17832 86 1 15 "Average Difference" HA 64 0.384 0.204 0.327 17832 87 1 15 "Average Difference" C 66 2.547 2.395 0.875 17832 88 1 15 "Average Difference" CA 67 2.643 2.483 0.912 17832 89 1 15 "Average Difference" CB 66 2.965 2.804 0.970 17832 90 1 15 "Average Difference" HN 62 0.478 0.027 0.481 17832 91 1 16 "Average Difference" N 62 2.025 -0.129 2.037 17832 92 1 16 "Average Difference" HA 64 0.370 0.155 0.339 17832 93 1 16 "Average Difference" C 66 2.561 2.382 0.948 17832 94 1 16 "Average Difference" CA 67 2.700 2.498 1.033 17832 95 1 16 "Average Difference" CB 66 2.879 2.740 0.893 17832 96 1 16 "Average Difference" HN 62 0.513 -0.063 0.513 17832 97 1 17 "Average Difference" N 62 2.675 -0.048 2.696 17832 98 1 17 "Average Difference" HA 64 0.370 0.148 0.342 17832 99 1 17 "Average Difference" C 66 2.692 2.488 1.036 17832 100 1 17 "Average Difference" CA 67 2.901 2.769 0.872 17832 101 1 17 "Average Difference" CB 66 2.898 2.734 0.970 17832 102 1 17 "Average Difference" HN 62 0.522 -0.036 0.525 17832 103 1 18 "Average Difference" N 62 2.405 -0.225 2.414 17832 104 1 18 "Average Difference" HA 64 0.371 0.192 0.319 17832 105 1 18 "Average Difference" C 66 2.571 2.404 0.920 17832 106 1 18 "Average Difference" CA 67 2.607 2.443 0.918 17832 107 1 18 "Average Difference" CB 66 2.785 2.684 0.751 17832 108 1 18 "Average Difference" HN 62 0.522 -0.007 0.526 17832 109 1 19 "Average Difference" N 62 2.321 0.164 2.335 17832 110 1 19 "Average Difference" HA 64 0.304 0.117 0.283 17832 111 1 19 "Average Difference" C 66 2.725 2.575 0.901 17832 112 1 19 "Average Difference" CA 67 2.694 2.551 0.871 17832 113 1 19 "Average Difference" CB 66 2.812 2.649 0.950 17832 114 1 19 "Average Difference" HN 62 0.417 -0.007 0.420 17832 115 1 20 "Average Difference" N 62 2.201 -0.114 2.216 17832 116 1 20 "Average Difference" HA 64 0.279 0.120 0.254 17832 117 1 20 "Average Difference" C 66 2.705 2.550 0.909 17832 118 1 20 "Average Difference" CA 67 2.822 2.653 0.969 17832 119 1 20 "Average Difference" CB 66 2.784 2.646 0.872 17832 120 1 20 "Average Difference" HN 62 0.475 -0.004 0.479 17832 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 17832 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 3 3 MET C C 0 173.346 173.346 175.485 -2.139 17832 2 1 . 1 1 3 3 MET CA C 0 52.930 52.930 55.536 -2.606 17832 3 1 . 1 1 3 3 MET CB C 0 29.966 29.966 33.441 -3.475 17832 4 1 . 1 1 4 4 MET N N 1 121.822 121.822 120.763 1.059 17832 5 1 . 1 1 4 4 MET HA H 1 4.378 4.378 4.613 -0.235 17832 6 1 . 1 1 4 4 MET C C 1 173.585 173.585 175.596 -2.011 17832 7 1 . 1 1 4 4 MET CA C 1 52.943 52.943 55.488 -2.545 17832 8 1 . 1 1 4 4 MET CB C 1 30.112 30.112 33.487 -3.375 17832 9 1 . 1 1 4 4 MET H H 1 8.553 8.553 8.259 0.294 17832 10 1 . 1 1 5 5 SER N N 2 117.291 117.291 116.868 0.423 17832 11 1 . 1 1 5 5 SER HA H 2 4.402 4.402 4.581 -0.179 17832 12 1 . 1 1 5 5 SER C C 2 171.427 171.427 173.710 -2.283 17832 13 1 . 1 1 5 5 SER CA C 2 55.920 55.920 58.292 -2.372 17832 14 1 . 1 1 5 5 SER CB C 2 61.033 61.033 63.588 -2.555 17832 15 1 . 1 1 5 5 SER H H 2 8.337 8.337 8.297 0.040 17832 16 1 . 1 1 6 6 LYS N N 3 121.932 121.932 123.515 -1.583 17832 17 1 . 1 1 6 6 LYS HA H 3 4.282 4.282 4.357 -0.075 17832 18 1 . 1 1 6 6 LYS C C 3 173.822 173.822 175.614 -1.792 17832 19 1 . 1 1 6 6 LYS CA C 3 53.556 53.556 56.133 -2.577 17832 20 1 . 1 1 6 6 LYS CB C 3 30.569 30.569 32.732 -2.163 17832 21 1 . 1 1 6 6 LYS H H 3 8.216 8.216 8.350 -0.134 17832 22 1 . 1 1 7 7 LEU N N 4 123.131 123.131 121.835 1.296 17832 23 1 . 1 1 7 7 LEU HA H 4 4.310 4.310 4.382 -0.072 17832 24 1 . 1 1 7 7 LEU C C 4 176.226 176.226 176.510 -0.284 17832 25 1 . 1 1 7 7 LEU CA C 4 52.753 52.753 55.595 -2.842 17832 26 1 . 1 1 7 7 LEU CB C 4 39.626 39.626 42.043 -2.417 17832 27 1 . 1 1 7 7 LEU H H 4 8.301 8.301 8.394 -0.093 17832 28 1 . 1 1 8 8 PHE N N 5 122.547 122.547 118.838 3.709 17832 29 1 . 1 1 8 8 PHE HA H 5 4.313 4.313 4.636 -0.323 17832 30 1 . 1 1 8 8 PHE CA C 5 56.963 56.963 58.871 -1.908 17832 31 1 . 1 1 8 8 PHE CB C 5 35.205 35.205 38.958 -3.753 17832 32 1 . 1 1 8 8 PHE H H 5 8.764 8.764 7.887 0.877 17832 33 1 . 1 1 9 9 LEU HA H 6 3.079 3.079 4.152 -1.073 17832 34 1 . 1 1 9 9 LEU C C 6 175.830 175.830 177.498 -1.668 17832 35 1 . 1 1 9 9 LEU CA C 6 54.075 54.075 56.642 -2.567 17832 36 1 . 1 1 9 9 LEU CB C 6 38.429 38.429 41.658 -3.229 17832 37 1 . 1 1 10 10 ASP N N 7 116.164 116.164 117.520 -1.356 17832 38 1 . 1 1 10 10 ASP HA H 7 4.294 4.294 4.490 -0.196 17832 39 1 . 1 1 10 10 ASP C C 7 174.240 174.240 176.826 -2.586 17832 40 1 . 1 1 10 10 ASP CA C 7 53.201 53.201 55.863 -2.662 17832 41 1 . 1 1 10 10 ASP CB C 7 37.826 37.826 40.837 -3.011 17832 42 1 . 1 1 10 10 ASP H H 7 7.488 7.488 8.037 -0.549 17832 43 1 . 1 1 11 11 GLU N N 8 116.711 116.711 117.943 -1.232 17832 44 1 . 1 1 11 11 GLU HA H 8 4.296 4.296 4.287 0.009 17832 45 1 . 1 1 11 11 GLU C C 8 173.322 173.322 176.544 -3.222 17832 46 1 . 1 1 11 11 GLU CA C 8 53.231 53.231 56.842 -3.611 17832 47 1 . 1 1 11 11 GLU CB C 8 27.333 27.333 29.943 -2.610 17832 48 1 . 1 1 11 11 GLU H H 8 7.496 7.496 8.018 -0.522 17832 49 1 . 1 1 12 12 LEU N N 9 117.751 117.751 118.825 -1.074 17832 50 1 . 1 1 12 12 LEU HA H 9 4.313 4.313 4.535 -0.222 17832 51 1 . 1 1 12 12 LEU C C 9 171.541 171.541 174.698 -3.157 17832 52 1 . 1 1 12 12 LEU CA C 9 49.264 49.264 52.702 -3.438 17832 53 1 . 1 1 12 12 LEU CB C 9 38.581 38.581 41.781 -3.200 17832 54 1 . 1 1 12 12 LEU H H 9 6.803 6.803 7.360 -0.557 17832 55 1 . 1 1 13 13 PRO HA H 10 4.311 4.311 4.389 -0.078 17832 56 1 . 1 1 13 13 PRO C C 10 174.746 174.746 177.353 -2.607 17832 57 1 . 1 1 13 13 PRO CA C 10 60.083 60.083 62.883 -2.800 17832 58 1 . 1 1 13 13 PRO CB C 10 29.131 29.131 32.483 -3.352 17832 59 1 . 1 1 14 14 GLU N N 11 125.693 125.693 120.821 4.872 17832 60 1 . 1 1 14 14 GLU HA H 11 3.854 3.854 4.059 -0.205 17832 61 1 . 1 1 14 14 GLU C C 11 175.180 175.180 178.604 -3.424 17832 62 1 . 1 1 14 14 GLU CA C 11 57.035 57.035 59.323 -2.288 17832 63 1 . 1 1 14 14 GLU CB C 11 26.761 26.761 29.517 -2.756 17832 64 1 . 1 1 14 14 GLU H H 11 8.777 8.777 8.769 0.008 17832 65 1 . 1 1 15 15 SER N N 12 111.734 111.734 115.433 -3.699 17832 66 1 . 1 1 15 15 SER HA H 12 3.884 3.884 4.242 -0.358 17832 67 1 . 1 1 15 15 SER C C 12 173.687 173.687 176.408 -2.721 17832 68 1 . 1 1 15 15 SER CA C 12 58.230 58.230 60.902 -2.672 17832 69 1 . 1 1 15 15 SER CB C 12 58.977 58.977 62.820 -3.843 17832 70 1 . 1 1 15 15 SER H H 12 8.563 8.563 8.266 0.297 17832 71 1 . 1 1 16 16 LEU N N 13 122.925 122.925 120.874 2.051 17832 72 1 . 1 1 16 16 LEU HA H 13 4.081 4.081 4.155 -0.074 17832 73 1 . 1 1 16 16 LEU C C 13 175.385 175.385 178.336 -2.951 17832 74 1 . 1 1 16 16 LEU CA C 13 54.057 54.057 56.987 -2.930 17832 75 1 . 1 1 16 16 LEU CB C 13 39.498 39.498 41.919 -2.421 17832 76 1 . 1 1 16 16 LEU H H 13 6.828 6.828 7.814 -0.986 17832 77 1 . 1 1 17 17 SER N N 14 114.839 114.839 114.861 -0.022 17832 78 1 . 1 1 17 17 SER HA H 14 3.585 3.585 4.065 -0.480 17832 79 1 . 1 1 17 17 SER C C 14 175.435 175.435 176.768 -1.333 17832 80 1 . 1 1 17 17 SER CA C 14 58.835 58.835 61.716 -2.881 17832 81 1 . 1 1 17 17 SER CB C 14 59.345 59.345 62.785 -3.440 17832 82 1 . 1 1 17 17 SER H H 14 8.266 8.266 8.067 0.199 17832 83 1 . 1 1 18 18 ARG N N 15 121.474 121.474 120.843 0.631 17832 84 1 . 1 1 18 18 ARG HA H 15 3.897 3.897 4.103 -0.206 17832 85 1 . 1 1 18 18 ARG C C 15 176.749 176.749 178.530 -1.781 17832 86 1 . 1 1 18 18 ARG CA C 15 56.827 56.827 59.242 -2.415 17832 87 1 . 1 1 18 18 ARG CB C 15 27.154 27.154 30.180 -3.026 17832 88 1 . 1 1 18 18 ARG H H 15 8.385 8.385 7.689 0.696 17832 89 1 . 1 1 19 19 LYS N N 16 119.494 119.494 119.766 -0.272 17832 90 1 . 1 1 19 19 LYS HA H 16 3.947 3.947 4.157 -0.210 17832 91 1 . 1 1 19 19 LYS C C 16 177.319 177.319 179.066 -1.747 17832 92 1 . 1 1 19 19 LYS CA C 16 57.412 57.412 59.053 -1.641 17832 93 1 . 1 1 19 19 LYS CB C 16 30.432 30.432 32.352 -1.920 17832 94 1 . 1 1 19 19 LYS H H 16 7.269 7.269 7.600 -0.331 17832 95 1 . 1 1 20 20 ILE N N 17 120.972 120.972 119.935 1.037 17832 96 1 . 1 1 20 20 ILE HA H 17 2.813 2.813 3.798 -0.985 17832 97 1 . 1 1 20 20 ILE C C 17 175.324 175.324 177.818 -2.494 17832 98 1 . 1 1 20 20 ILE CA C 17 63.012 63.012 64.950 -1.938 17832 99 1 . 1 1 20 20 ILE CB C 17 34.710 34.710 37.824 -3.114 17832 100 1 . 1 1 20 20 ILE H H 17 7.993 7.993 8.288 -0.295 17832 101 1 . 1 1 21 21 GLY N N 18 106.894 106.894 106.657 0.237 17832 102 1 . 1 1 21 21 GLY C C 18 173.161 173.161 175.779 -2.618 17832 103 1 . 1 1 21 21 GLY CA C 18 44.450 44.450 47.531 -3.081 17832 104 1 . 1 1 21 21 GLY H H 18 8.259 8.259 8.310 -0.051 17832 105 1 . 1 1 22 22 THR N N 19 113.696 113.696 115.656 -1.960 17832 106 1 . 1 1 22 22 THR HA H 19 3.946 3.946 4.173 -0.227 17832 107 1 . 1 1 22 22 THR C C 19 173.081 173.081 175.981 -2.900 17832 108 1 . 1 1 22 22 THR CA C 19 62.984 62.984 64.916 -1.932 17832 109 1 . 1 1 22 22 THR CB C 19 66.403 66.403 68.864 -2.461 17832 110 1 . 1 1 22 22 THR H H 19 7.502 7.502 7.443 0.059 17832 111 1 . 1 1 23 23 VAL N N 20 123.120 123.120 120.584 2.536 17832 112 1 . 1 1 23 23 VAL HA H 20 3.649 3.649 3.949 -0.299 17832 113 1 . 1 1 23 23 VAL C C 20 174.858 174.858 177.809 -2.951 17832 114 1 . 1 1 23 23 VAL CA C 20 62.761 62.761 65.006 -2.245 17832 115 1 . 1 1 23 23 VAL CB C 20 29.222 29.222 31.912 -2.690 17832 116 1 . 1 1 23 23 VAL H H 20 7.168 7.168 7.430 -0.262 17832 117 1 . 1 1 24 24 VAL N N 21 119.729 119.729 119.955 -0.226 17832 118 1 . 1 1 24 24 VAL HA H 21 3.541 3.541 3.743 -0.202 17832 119 1 . 1 1 24 24 VAL C C 21 174.410 174.410 177.418 -3.008 17832 120 1 . 1 1 24 24 VAL CA C 21 61.966 61.966 65.772 -3.806 17832 121 1 . 1 1 24 24 VAL CB C 21 29.360 29.360 31.235 -1.875 17832 122 1 . 1 1 24 24 VAL H H 21 8.129 8.129 8.444 -0.315 17832 123 1 . 1 1 25 25 ARG N N 22 116.239 116.239 118.796 -2.557 17832 124 1 . 1 1 25 25 ARG HA H 22 3.952 3.952 4.057 -0.105 17832 125 1 . 1 1 25 25 ARG C C 22 174.899 174.899 177.674 -2.775 17832 126 1 . 1 1 25 25 ARG CA C 22 56.097 56.097 58.805 -2.708 17832 127 1 . 1 1 25 25 ARG CB C 22 27.473 27.473 30.169 -2.696 17832 128 1 . 1 1 25 25 ARG H H 22 7.633 7.633 7.732 -0.099 17832 129 1 . 1 1 26 26 VAL N N 23 115.006 115.006 117.674 -2.668 17832 130 1 . 1 1 26 26 VAL HA H 23 3.995 3.995 3.943 0.052 17832 131 1 . 1 1 26 26 VAL C C 23 173.187 173.187 176.564 -3.377 17832 132 1 . 1 1 26 26 VAL CA C 23 61.107 61.107 64.782 -3.675 17832 133 1 . 1 1 26 26 VAL CB C 23 29.977 29.977 32.651 -2.674 17832 134 1 . 1 1 26 26 VAL H H 23 6.886 6.886 7.659 -0.773 17832 135 1 . 1 1 27 27 LEU N N 24 120.940 120.940 119.804 1.136 17832 136 1 . 1 1 27 27 LEU HA H 24 4.930 4.930 4.874 0.056 17832 137 1 . 1 1 27 27 LEU C C 24 171.363 171.363 174.967 -3.604 17832 138 1 . 1 1 27 27 LEU CA C 24 48.752 48.752 52.219 -3.467 17832 139 1 . 1 1 27 27 LEU CB C 24 40.669 40.669 42.584 -1.915 17832 140 1 . 1 1 27 27 LEU H H 24 8.338 8.338 7.383 0.955 17832 141 1 . 1 1 28 28 PRO HA H 25 4.767 4.767 4.433 0.334 17832 142 1 . 1 1 28 28 PRO C C 25 176.742 176.742 177.724 -0.982 17832 143 1 . 1 1 28 28 PRO CA C 25 63.453 63.453 64.892 -1.439 17832 144 1 . 1 1 28 28 PRO CB C 25 29.004 29.004 31.868 -2.864 17832 145 1 . 1 1 29 29 SER N N 26 111.726 111.726 113.307 -1.581 17832 146 1 . 1 1 29 29 SER HA H 26 4.422 4.422 4.363 0.059 17832 147 1 . 1 1 29 29 SER C C 26 172.811 172.811 176.145 -3.334 17832 148 1 . 1 1 29 29 SER CA C 26 57.331 57.331 59.743 -2.412 17832 149 1 . 1 1 29 29 SER CB C 26 59.552 59.552 62.892 -3.340 17832 150 1 . 1 1 29 29 SER H H 26 8.279 8.279 8.353 -0.074 17832 151 1 . 1 1 30 30 SER N N 27 116.503 116.503 119.137 -2.634 17832 152 1 . 1 1 30 30 SER HA H 27 4.103 4.103 4.117 -0.014 17832 153 1 . 1 1 30 30 SER C C 27 174.324 174.324 176.351 -2.027 17832 154 1 . 1 1 30 30 SER CA C 27 58.661 58.661 60.690 -2.029 17832 155 1 . 1 1 30 30 SER CB C 27 61.593 61.593 62.990 -1.397 17832 156 1 . 1 1 30 30 SER H H 27 8.642 8.642 7.917 0.725 17832 157 1 . 1 1 31 31 LEU N N 28 126.322 126.322 121.497 4.825 17832 158 1 . 1 1 31 31 LEU HA H 28 4.281 4.281 4.196 0.085 17832 159 1 . 1 1 31 31 LEU C C 28 175.385 175.385 177.822 -2.437 17832 160 1 . 1 1 31 31 LEU CA C 28 56.992 56.992 58.020 -1.028 17832 161 1 . 1 1 31 31 LEU CB C 28 38.241 38.241 41.624 -3.383 17832 162 1 . 1 1 31 31 LEU H H 28 7.634 7.634 7.741 -0.107 17832 163 1 . 1 1 32 32 GLU N N 29 114.812 114.812 118.820 -4.008 17832 164 1 . 1 1 32 32 GLU HA H 29 4.230 4.230 3.969 0.261 17832 165 1 . 1 1 32 32 GLU C C 29 175.711 175.711 178.956 -3.245 17832 166 1 . 1 1 32 32 GLU CA C 29 56.205 56.205 59.369 -3.164 17832 167 1 . 1 1 32 32 GLU CB C 29 26.903 26.903 29.292 -2.389 17832 168 1 . 1 1 32 32 GLU H H 29 8.283 8.283 7.698 0.585 17832 169 1 . 1 1 33 33 ILE N N 30 121.972 121.972 119.122 2.850 17832 170 1 . 1 1 33 33 ILE HA H 30 3.773 3.773 3.655 0.118 17832 171 1 . 1 1 33 33 ILE C C 30 175.177 175.177 177.909 -2.731 17832 172 1 . 1 1 33 33 ILE CA C 30 62.116 62.116 64.516 -2.400 17832 173 1 . 1 1 33 33 ILE CB C 30 35.018 35.018 37.637 -2.619 17832 174 1 . 1 1 33 33 ILE H H 30 7.477 7.477 7.589 -0.112 17832 175 1 . 1 1 34 34 PHE N N 31 117.727 117.727 118.416 -0.689 17832 176 1 . 1 1 34 34 PHE HA H 31 4.208 4.208 4.225 -0.017 17832 177 1 . 1 1 34 34 PHE C C 31 174.731 174.731 177.912 -3.181 17832 178 1 . 1 1 34 34 PHE CA C 31 61.035 61.035 60.177 0.858 17832 179 1 . 1 1 34 34 PHE CB C 31 36.224 36.224 37.859 -1.635 17832 180 1 . 1 1 34 34 PHE H H 31 8.137 8.137 7.196 0.941 17832 181 1 . 1 1 35 35 GLU N N 32 118.271 118.271 120.044 -1.773 17832 182 1 . 1 1 35 35 GLU HA H 32 2.721 2.721 4.238 -1.517 17832 183 1 . 1 1 35 35 GLU C C 32 174.785 174.785 178.945 -4.160 17832 184 1 . 1 1 35 35 GLU CA C 32 57.304 57.304 60.302 -2.998 17832 185 1 . 1 1 35 35 GLU CB C 32 26.997 26.997 29.259 -2.262 17832 186 1 . 1 1 35 35 GLU H H 32 8.249 8.249 8.519 -0.270 17832 187 1 . 1 1 36 36 GLU N N 33 119.678 119.678 119.186 0.492 17832 188 1 . 1 1 36 36 GLU HA H 33 3.887 3.887 4.069 -0.182 17832 189 1 . 1 1 36 36 GLU C C 33 176.760 176.760 178.971 -2.211 17832 190 1 . 1 1 36 36 GLU CA C 33 57.241 57.241 58.605 -1.364 17832 191 1 . 1 1 36 36 GLU CB C 33 26.806 26.806 29.613 -2.807 17832 192 1 . 1 1 36 36 GLU H H 33 7.971 7.971 7.652 0.319 17832 193 1 . 1 1 37 37 LEU N N 34 120.144 120.144 121.341 -1.197 17832 194 1 . 1 1 37 37 LEU HA H 34 4.280 4.280 4.095 0.185 17832 195 1 . 1 1 37 37 LEU C C 34 174.327 174.327 178.668 -4.341 17832 196 1 . 1 1 37 37 LEU CA C 34 55.502 55.502 57.960 -2.458 17832 197 1 . 1 1 37 37 LEU CB C 34 39.354 39.354 42.025 -2.671 17832 198 1 . 1 1 37 37 LEU H H 34 8.278 8.278 7.610 0.668 17832 199 1 . 1 1 38 38 TYR N N 35 119.703 119.703 118.033 1.670 17832 200 1 . 1 1 38 38 TYR HA H 35 4.070 4.070 4.167 -0.097 17832 201 1 . 1 1 38 38 TYR C C 35 173.298 173.298 177.554 -4.256 17832 202 1 . 1 1 38 38 TYR CA C 35 59.098 59.098 60.516 -1.418 17832 203 1 . 1 1 38 38 TYR CB C 35 36.534 36.534 37.702 -1.168 17832 204 1 . 1 1 38 38 TYR H H 35 8.417 8.417 8.552 -0.135 17832 205 1 . 1 1 39 39 LYS N N 36 115.392 115.392 119.202 -3.810 17832 206 1 . 1 1 39 39 LYS HA H 36 3.621 3.621 3.666 -0.045 17832 207 1 . 1 1 39 39 LYS C C 36 176.456 176.456 178.424 -1.968 17832 208 1 . 1 1 39 39 LYS CA C 36 57.011 57.011 58.301 -1.290 17832 209 1 . 1 1 39 39 LYS CB C 36 29.694 29.694 31.965 -2.271 17832 210 1 . 1 1 39 39 LYS H H 36 8.441 8.441 7.244 1.197 17832 211 1 . 1 1 40 40 TYR N N 37 120.325 120.325 120.466 -0.141 17832 212 1 . 1 1 40 40 TYR HA H 37 4.078 4.078 4.073 0.005 17832 213 1 . 1 1 40 40 TYR C C 37 175.043 175.043 177.155 -2.112 17832 214 1 . 1 1 40 40 TYR CA C 37 58.971 58.971 61.383 -2.412 17832 215 1 . 1 1 40 40 TYR CB C 37 35.875 35.875 38.453 -2.578 17832 216 1 . 1 1 40 40 TYR H H 37 8.344 8.344 7.917 0.427 17832 217 1 . 1 1 41 41 ALA N N 38 121.802 121.802 120.791 1.011 17832 218 1 . 1 1 41 41 ALA HA H 38 3.746 3.746 4.114 -0.368 17832 219 1 . 1 1 41 41 ALA C C 38 175.962 175.962 179.309 -3.347 17832 220 1 . 1 1 41 41 ALA CA C 38 51.780 51.780 54.576 -2.796 17832 221 1 . 1 1 41 41 ALA CB C 38 17.381 17.381 18.162 -0.781 17832 222 1 . 1 1 41 41 ALA H H 38 8.291 8.291 7.959 0.332 17832 223 1 . 1 1 42 42 LEU N N 39 116.563 116.563 117.813 -1.250 17832 224 1 . 1 1 42 42 LEU HA H 39 3.820 3.820 4.043 -0.223 17832 225 1 . 1 1 42 42 LEU C C 39 176.020 176.020 178.663 -2.643 17832 226 1 . 1 1 42 42 LEU CA C 39 54.011 54.011 57.262 -3.251 17832 227 1 . 1 1 42 42 LEU CB C 39 39.796 39.796 41.867 -2.071 17832 228 1 . 1 1 42 42 LEU H H 39 7.865 7.865 7.540 0.325 17832 229 1 . 1 1 43 43 ASN N N 40 115.561 115.561 117.091 -1.530 17832 230 1 . 1 1 43 43 ASN HA H 40 4.436 4.436 4.504 -0.068 17832 231 1 . 1 1 43 43 ASN C C 40 173.390 173.390 177.315 -3.925 17832 232 1 . 1 1 43 43 ASN CA C 40 51.492 51.492 55.544 -4.052 17832 233 1 . 1 1 43 43 ASN CB C 40 36.401 36.401 38.532 -2.131 17832 234 1 . 1 1 43 43 ASN H H 40 7.467 7.467 7.742 -0.275 17832 235 1 . 1 1 44 44 GLU N N 41 120.609 120.609 118.967 1.642 17832 236 1 . 1 1 44 44 GLU HA H 41 3.986 3.986 3.982 0.004 17832 237 1 . 1 1 44 44 GLU C C 41 174.161 174.161 177.620 -3.459 17832 238 1 . 1 1 44 44 GLU CA C 41 54.775 54.775 58.642 -3.867 17832 239 1 . 1 1 44 44 GLU CB C 41 27.094 27.094 29.025 -1.931 17832 240 1 . 1 1 44 44 GLU H H 41 7.817 7.817 7.685 0.132 17832 241 1 . 1 1 45 45 ASN N N 42 118.453 118.453 116.679 1.774 17832 242 1 . 1 1 45 45 ASN HA H 42 4.618 4.618 4.549 0.069 17832 243 1 . 1 1 45 45 ASN C C 42 172.912 172.912 175.735 -2.823 17832 244 1 . 1 1 45 45 ASN CA C 42 50.988 50.988 54.760 -3.772 17832 245 1 . 1 1 45 45 ASN CB C 42 36.267 36.267 38.909 -2.642 17832 246 1 . 1 1 45 45 ASN H H 42 8.087 8.087 7.806 0.281 17832 247 1 . 1 1 46 46 SER N N 43 115.581 115.581 114.324 1.257 17832 248 1 . 1 1 46 46 SER HA H 43 4.292 4.292 4.440 -0.148 17832 249 1 . 1 1 46 46 SER C C 43 172.136 172.136 173.355 -1.219 17832 250 1 . 1 1 46 46 SER CA C 43 56.202 56.202 58.737 -2.535 17832 251 1 . 1 1 46 46 SER CB C 43 60.909 60.909 63.910 -3.001 17832 252 1 . 1 1 46 46 SER H H 43 8.062 8.062 7.694 0.368 17832 253 1 . 1 1 47 47 ASN N N 44 120.517 120.517 119.568 0.949 17832 254 1 . 1 1 47 47 ASN HA H 44 4.617 4.617 4.756 -0.140 17832 255 1 . 1 1 47 47 ASN C C 44 172.545 172.545 173.962 -1.417 17832 256 1 . 1 1 47 47 ASN CA C 44 51.174 51.174 53.376 -2.202 17832 257 1 . 1 1 47 47 ASN CB C 44 36.208 36.208 39.604 -3.396 17832 258 1 . 1 1 47 47 ASN H H 44 8.329 8.329 8.343 -0.014 17832 259 1 . 1 1 48 48 ASP N N 45 120.294 120.294 121.258 -0.964 17832 260 1 . 1 1 48 48 ASP HA H 45 4.500 4.500 4.702 -0.202 17832 261 1 . 1 1 48 48 ASP C C 45 173.835 173.835 175.769 -1.934 17832 262 1 . 1 1 48 48 ASP CA C 45 52.030 52.030 54.298 -2.268 17832 263 1 . 1 1 48 48 ASP CB C 45 38.326 38.326 41.641 -3.315 17832 264 1 . 1 1 48 48 ASP H H 45 8.220 8.220 8.367 -0.147 17832 265 1 . 1 1 49 49 ARG N N 46 121.139 121.139 120.959 0.180 17832 266 1 . 1 1 49 49 ARG HA H 46 4.274 4.274 4.363 -0.089 17832 267 1 . 1 1 49 49 ARG C C 46 174.032 174.032 175.730 -1.698 17832 268 1 . 1 1 49 49 ARG CA C 46 53.425 53.425 56.339 -2.914 17832 269 1 . 1 1 49 49 ARG CB C 46 27.615 27.615 30.780 -3.165 17832 270 1 . 1 1 49 49 ARG H H 46 8.180 8.180 8.423 -0.243 17832 271 1 . 1 1 50 50 SER N N 47 116.289 116.289 115.950 0.339 17832 272 1 . 1 1 50 50 SER HA H 47 4.269 4.269 4.434 -0.165 17832 273 1 . 1 1 50 50 SER C C 47 172.337 172.337 173.904 -1.567 17832 274 1 . 1 1 50 50 SER CA C 47 56.379 56.379 58.587 -2.208 17832 275 1 . 1 1 50 50 SER CB C 47 60.970 60.970 63.604 -2.634 17832 276 1 . 1 1 50 50 SER H H 47 8.236 8.236 8.443 -0.207 17832 277 1 . 1 1 51 51 GLU N N 48 122.019 122.019 122.102 -0.083 17832 278 1 . 1 1 51 51 GLU HA H 48 4.134 4.134 4.427 -0.293 17832 279 1 . 1 1 51 51 GLU C C 48 174.002 174.002 175.451 -1.449 17832 280 1 . 1 1 51 51 GLU CA C 48 54.285 54.285 56.233 -1.949 17832 281 1 . 1 1 51 51 GLU CB C 48 27.192 27.192 30.682 -3.490 17832 282 1 . 1 1 51 51 GLU H H 48 8.423 8.423 8.426 -0.003 17832 283 1 . 1 1 52 52 HIS N N 49 119.075 119.075 119.410 -0.335 17832 284 1 . 1 1 52 52 HIS HA H 49 4.486 4.486 4.764 -0.278 17832 285 1 . 1 1 52 52 HIS C C 49 172.663 172.663 174.505 -1.842 17832 286 1 . 1 1 52 52 HIS CA C 49 53.775 53.775 55.891 -2.116 17832 287 1 . 1 1 52 52 HIS CB C 49 27.714 27.714 30.398 -2.684 17832 288 1 . 1 1 52 52 HIS H H 49 8.117 8.117 8.304 -0.187 17832 289 1 . 1 1 53 53 HIS N N 50 119.483 119.483 120.929 -1.446 17832 290 1 . 1 1 53 53 HIS HA H 50 4.538 4.538 4.599 -0.061 17832 291 1 . 1 1 53 53 HIS C C 50 172.355 172.355 174.622 -2.267 17832 292 1 . 1 1 53 53 HIS CA C 50 53.433 53.433 56.144 -2.711 17832 293 1 . 1 1 53 53 HIS CB C 50 27.694 27.694 30.345 -2.652 17832 294 1 . 1 1 53 53 HIS H H 50 8.068 8.068 8.544 -0.476 17832 295 1 . 1 1 54 54 LYS N N 51 122.136 122.136 122.546 -0.410 17832 296 1 . 1 1 54 54 LYS HA H 51 4.215 4.215 4.371 -0.156 17832 297 1 . 1 1 54 54 LYS C C 51 173.474 173.474 175.606 -2.132 17832 298 1 . 1 1 54 54 LYS CA C 51 53.445 53.445 56.341 -2.896 17832 299 1 . 1 1 54 54 LYS CB C 51 30.329 30.329 33.082 -2.753 17832 300 1 . 1 1 54 54 LYS H H 51 8.121 8.121 8.393 -0.272 17832 301 1 . 1 1 55 55 LYS N N 52 124.022 124.022 122.156 1.866 17832 302 1 . 1 1 55 55 LYS HA H 52 4.508 4.508 4.525 -0.017 17832 303 1 . 1 1 55 55 LYS C C 52 171.685 171.685 174.476 -2.791 17832 304 1 . 1 1 55 55 LYS CA C 52 51.516 51.516 55.086 -3.570 17832 305 1 . 1 1 55 55 LYS CB C 52 29.818 29.818 32.788 -2.970 17832 306 1 . 1 1 55 55 LYS H H 52 8.262 8.262 8.348 -0.086 17832 307 1 . 1 1 56 56 PRO HA H 53 4.340 4.340 4.422 -0.082 17832 308 1 . 1 1 56 56 PRO C C 53 173.830 173.830 176.314 -2.484 17832 309 1 . 1 1 56 56 PRO CA C 53 60.496 60.496 62.985 -2.489 17832 310 1 . 1 1 56 56 PRO CB C 53 29.444 29.444 31.735 -2.291 17832 311 1 . 1 1 57 57 ARG N N 54 121.870 121.870 121.279 0.591 17832 312 1 . 1 1 57 57 ARG HA H 54 4.279 4.279 4.459 -0.180 17832 313 1 . 1 1 57 57 ARG C C 54 173.560 173.560 175.421 -1.861 17832 314 1 . 1 1 57 57 ARG CA C 54 53.172 53.172 55.694 -2.522 17832 315 1 . 1 1 57 57 ARG CB C 54 28.273 28.273 30.866 -2.593 17832 316 1 . 1 1 57 57 ARG H H 54 8.396 8.396 8.297 0.099 17832 317 1 . 1 1 58 58 ILE N N 55 122.683 122.683 121.726 0.957 17832 318 1 . 1 1 58 58 ILE HA H 55 4.117 4.117 4.174 -0.057 17832 319 1 . 1 1 58 58 ILE C C 55 173.034 173.034 175.641 -2.607 17832 320 1 . 1 1 58 58 ILE CA C 55 58.378 58.378 61.271 -2.893 17832 321 1 . 1 1 58 58 ILE CB C 55 36.113 36.113 38.774 -2.661 17832 322 1 . 1 1 58 58 ILE H H 55 8.258 8.258 8.337 -0.079 17832 323 1 . 1 1 59 59 ASP N N 56 123.975 123.975 124.620 -0.645 17832 324 1 . 1 1 59 59 ASP HA H 56 4.581 4.581 4.640 -0.059 17832 325 1 . 1 1 59 59 ASP C C 56 172.780 172.780 175.507 -2.727 17832 326 1 . 1 1 59 59 ASP CA C 56 51.525 51.525 54.413 -2.888 17832 327 1 . 1 1 59 59 ASP CB C 56 38.460 38.460 41.653 -3.193 17832 328 1 . 1 1 59 59 ASP H H 56 8.364 8.364 8.495 -0.131 17832 329 1 . 1 1 60 60 ASP N N 57 121.471 121.471 120.806 0.665 17832 330 1 . 1 1 60 60 ASP HA H 57 4.563 4.563 4.692 -0.129 17832 331 1 . 1 1 60 60 ASP C C 57 173.851 173.851 175.419 -1.568 17832 332 1 . 1 1 60 60 ASP CA C 57 51.586 51.586 54.348 -2.762 17832 333 1 . 1 1 60 60 ASP CB C 57 38.468 38.468 41.888 -3.420 17832 334 1 . 1 1 60 60 ASP H H 57 8.393 8.393 8.297 0.096 17832 335 1 . 1 1 61 61 SER N N 58 116.207 116.207 116.330 -0.123 17832 336 1 . 1 1 61 61 SER C C 58 172.389 172.389 174.263 -1.874 17832 337 1 . 1 1 61 61 SER CA C 58 56.129 56.129 58.437 -2.308 17832 338 1 . 1 1 61 61 SER CB C 58 60.945 60.945 63.954 -3.009 17832 339 1 . 1 1 61 61 SER H H 58 8.331 8.331 8.319 0.012 17832 340 1 . 1 1 62 62 SER N N 59 117.805 117.805 117.260 0.545 17832 341 1 . 1 1 62 62 SER C C 59 171.778 171.778 173.636 -1.858 17832 342 1 . 1 1 62 62 SER CA C 59 56.290 56.290 58.655 -2.365 17832 343 1 . 1 1 62 62 SER CB C 59 60.930 60.930 63.734 -2.804 17832 344 1 . 1 1 62 62 SER H H 59 8.334 8.334 8.296 0.038 17832 345 1 . 1 1 63 63 ASP N N 60 122.124 122.124 122.253 -0.129 17832 346 1 . 1 1 63 63 ASP HA H 60 4.512 4.512 4.706 -0.194 17832 347 1 . 1 1 63 63 ASP C C 60 173.550 173.550 175.584 -2.034 17832 348 1 . 1 1 63 63 ASP CA C 60 51.916 51.916 54.440 -2.524 17832 349 1 . 1 1 63 63 ASP CB C 60 38.264 38.264 41.648 -3.384 17832 350 1 . 1 1 63 63 ASP H H 60 8.278 8.278 8.325 -0.048 17832 351 1 . 1 1 64 64 LEU N N 61 121.450 121.450 121.863 -0.413 17832 352 1 . 1 1 64 64 LEU HA H 61 4.223 4.223 4.405 -0.182 17832 353 1 . 1 1 64 64 LEU C C 61 174.603 174.603 176.082 -1.480 17832 354 1 . 1 1 64 64 LEU CA C 61 52.640 52.640 55.069 -2.429 17832 355 1 . 1 1 64 64 LEU CB C 61 39.502 39.502 42.755 -3.253 17832 356 1 . 1 1 64 64 LEU H H 61 7.931 7.931 8.223 -0.292 17832 357 1 . 1 1 65 65 LEU N N 62 122.042 122.042 120.596 1.446 17832 358 1 . 1 1 65 65 LEU HA H 62 4.273 4.273 4.402 -0.129 17832 359 1 . 1 1 65 65 LEU C C 62 174.372 174.372 176.688 -2.316 17832 360 1 . 1 1 65 65 LEU CA C 62 52.339 52.339 55.227 -2.888 17832 361 1 . 1 1 65 65 LEU CB C 62 39.426 39.426 42.409 -2.983 17832 362 1 . 1 1 65 65 LEU H H 62 8.023 8.023 8.091 -0.068 17832 363 1 . 1 1 66 66 LYS N N 63 122.782 122.782 121.365 1.417 17832 364 1 . 1 1 66 66 LYS HA H 63 4.349 4.349 4.424 -0.075 17832 365 1 . 1 1 66 66 LYS C C 63 173.936 173.936 176.275 -2.339 17832 366 1 . 1 1 66 66 LYS CA C 63 53.305 53.305 56.505 -3.200 17832 367 1 . 1 1 66 66 LYS CB C 63 30.305 30.305 32.937 -2.632 17832 368 1 . 1 1 66 66 LYS H H 63 8.145 8.145 8.461 -0.316 17832 369 1 . 1 1 67 67 THR N N 64 115.478 115.478 115.134 0.344 17832 370 1 . 1 1 67 67 THR HA H 64 4.298 4.298 4.403 -0.105 17832 371 1 . 1 1 67 67 THR C C 64 171.473 171.473 173.823 -2.350 17832 372 1 . 1 1 67 67 THR CA C 64 58.943 58.943 62.166 -3.223 17832 373 1 . 1 1 67 67 THR CB C 64 67.038 67.038 69.404 -2.366 17832 374 1 . 1 1 67 67 THR H H 64 8.196 8.196 8.094 0.102 17832 375 1 . 1 1 68 68 ASP N N 65 122.013 122.013 123.060 -1.047 17832 376 1 . 1 1 68 68 ASP C C 65 173.191 173.191 175.715 -2.524 17832 377 1 . 1 1 68 68 ASP CA C 65 51.628 51.628 54.350 -2.722 17832 378 1 . 1 1 68 68 ASP CB C 65 38.495 38.495 41.728 -3.233 17832 379 1 . 1 1 68 68 ASP H H 65 8.307 8.307 8.334 -0.027 17832 380 1 . 1 1 69 69 GLU N N 66 121.260 121.260 121.122 0.138 17832 381 1 . 1 1 69 69 GLU HA H 66 4.235 4.235 4.402 -0.167 17832 382 1 . 1 1 69 69 GLU C C 66 172.706 172.706 176.033 -3.327 17832 383 1 . 1 1 69 69 GLU CA C 66 53.881 53.881 56.476 -2.595 17832 384 1 . 1 1 69 69 GLU CB C 66 27.731 27.731 30.377 -2.646 17832 385 1 . 1 1 69 69 GLU H H 66 8.216 8.216 8.497 -0.281 17832 stop_ save_