data_18521 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18521 _Entry.PDB_ID 2LUH 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 18521 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 ALA N N 2 122.445 122.445 123.895 -1.450 18521 2 1 1 . 1 1 2 2 ALA HA H 2 4.045 4.045 4.010 0.035 18521 3 1 1 . 1 1 2 2 ALA C C 2 179.992 179.992 179.136 0.856 18521 4 1 1 . 1 1 2 2 ALA CA C 2 55.140 55.140 54.654 0.486 18521 5 1 1 . 1 1 2 2 ALA CB C 2 18.482 18.482 18.197 0.285 18521 6 1 1 . 1 1 2 2 ALA H H 2 8.545 8.545 8.365 0.180 18521 7 1 1 . 1 1 3 3 SER N N 3 115.544 115.544 113.837 1.707 18521 8 1 1 . 1 1 3 3 SER HA H 3 4.030 4.030 4.128 -0.098 18521 9 1 1 . 1 1 3 3 SER C C 3 176.584 176.584 176.418 0.166 18521 10 1 1 . 1 1 3 3 SER CA C 3 60.748 60.748 60.662 0.086 18521 11 1 1 . 1 1 3 3 SER CB C 3 62.416 62.416 62.634 -0.218 18521 12 1 1 . 1 1 3 3 SER H H 3 8.009 8.009 8.269 -0.260 18521 13 1 1 . 1 1 4 4 ASN N N 4 123.103 123.103 119.809 3.294 18521 14 1 1 . 1 1 4 4 ASN HA H 4 4.318 4.318 4.415 -0.097 18521 15 1 1 . 1 1 4 4 ASN C C 4 176.215 176.215 176.755 -0.540 18521 16 1 1 . 1 1 4 4 ASN CA C 4 55.580 55.580 56.246 -0.666 18521 17 1 1 . 1 1 4 4 ASN CB C 4 38.154 38.154 38.154 0.000 18521 18 1 1 . 1 1 4 4 ASN H H 4 7.965 7.965 7.756 0.209 18521 19 1 1 . 1 1 5 5 ALA N N 5 122.314 122.314 121.793 0.521 18521 20 1 1 . 1 1 5 5 ALA HA H 5 3.560 3.560 3.807 -0.247 18521 21 1 1 . 1 1 5 5 ALA C C 5 178.543 178.543 178.957 -0.414 18521 22 1 1 . 1 1 5 5 ALA CA C 5 55.774 55.774 54.989 0.785 18521 23 1 1 . 1 1 5 5 ALA CB C 5 17.638 17.638 18.132 -0.494 18521 24 1 1 . 1 1 5 5 ALA H H 5 8.721 8.721 7.341 1.380 18521 25 1 1 . 1 1 6 6 ALA N N 6 117.886 117.886 121.435 -3.549 18521 26 1 1 . 1 1 6 6 ALA HA H 6 3.784 3.784 3.962 -0.177 18521 27 1 1 . 1 1 6 6 ALA C C 6 180.378 180.378 179.331 1.047 18521 28 1 1 . 1 1 6 6 ALA CA C 6 55.240 55.240 55.049 0.191 18521 29 1 1 . 1 1 6 6 ALA CB C 6 17.890 17.890 18.044 -0.154 18521 30 1 1 . 1 1 6 6 ALA H H 6 7.891 7.891 7.490 0.401 18521 31 1 1 . 1 1 7 7 ARG N N 7 120.992 120.992 119.379 1.613 18521 32 1 1 . 1 1 7 7 ARG HA H 7 3.770 3.770 4.017 -0.247 18521 33 1 1 . 1 1 7 7 ARG C C 7 179.531 179.531 178.634 0.897 18521 34 1 1 . 1 1 7 7 ARG CA C 7 59.249 59.249 59.484 -0.235 18521 35 1 1 . 1 1 7 7 ARG CB C 7 29.546 29.546 30.386 -0.840 18521 36 1 1 . 1 1 7 7 ARG H H 7 7.503 7.503 7.995 -0.492 18521 37 1 1 . 1 1 8 8 VAL N N 8 123.707 123.707 119.662 4.045 18521 38 1 1 . 1 1 8 8 VAL HA H 8 3.285 3.285 3.751 -0.466 18521 39 1 1 . 1 1 8 8 VAL C C 8 177.740 177.740 178.153 -0.413 18521 40 1 1 . 1 1 8 8 VAL CA C 8 67.839 67.839 67.193 0.646 18521 41 1 1 . 1 1 8 8 VAL CB C 8 31.516 31.516 31.623 -0.107 18521 42 1 1 . 1 1 8 8 VAL H H 8 8.176 8.176 8.203 -0.027 18521 43 1 1 . 1 1 9 9 VAL N N 9 119.893 119.893 120.021 -0.128 18521 44 1 1 . 1 1 9 9 VAL HA H 9 3.286 3.286 3.478 -0.192 18521 45 1 1 . 1 1 9 9 VAL C C 9 177.535 177.535 177.907 -0.372 18521 46 1 1 . 1 1 9 9 VAL CA C 9 67.549 67.549 67.055 0.494 18521 47 1 1 . 1 1 9 9 VAL CB C 9 31.683 31.683 31.370 0.312 18521 48 1 1 . 1 1 9 9 VAL H H 9 8.329 8.329 7.902 0.427 18521 49 1 1 . 1 1 10 10 ALA N N 10 122.541 122.541 121.724 0.817 18521 50 1 1 . 1 1 10 10 ALA HA H 10 3.971 3.971 4.076 -0.105 18521 51 1 1 . 1 1 10 10 ALA C C 10 177.093 177.093 179.603 -2.510 18521 52 1 1 . 1 1 10 10 ALA CA C 10 55.448 55.448 55.526 -0.078 18521 53 1 1 . 1 1 10 10 ALA CB C 10 17.791 17.791 18.302 -0.511 18521 54 1 1 . 1 1 10 10 ALA H H 10 7.802 7.802 8.597 -0.795 18521 55 1 1 . 1 1 11 11 THR N N 11 116.946 116.946 116.004 0.942 18521 56 1 1 . 1 1 11 11 THR HA H 11 3.821 3.821 3.992 -0.171 18521 57 1 1 . 1 1 11 11 THR C C 11 175.702 175.702 176.646 -0.944 18521 58 1 1 . 1 1 11 11 THR CA C 11 66.531 66.531 66.686 -0.155 18521 59 1 1 . 1 1 11 11 THR CB C 11 68.493 68.493 68.396 0.097 18521 60 1 1 . 1 1 11 11 THR H H 11 8.187 8.187 8.583 -0.396 18521 61 1 1 . 1 1 12 12 ALA N N 12 125.357 125.357 123.866 1.491 18521 62 1 1 . 1 1 12 12 ALA HA H 12 4.003 4.003 4.086 -0.083 18521 63 1 1 . 1 1 12 12 ALA C C 12 179.401 179.401 179.355 0.046 18521 64 1 1 . 1 1 12 12 ALA CA C 12 56.083 56.083 55.272 0.812 18521 65 1 1 . 1 1 12 12 ALA CB C 12 18.855 18.855 18.218 0.637 18521 66 1 1 . 1 1 12 12 ALA H H 12 8.641 8.641 8.134 0.507 18521 67 1 1 . 1 1 13 13 LYS N N 13 117.246 117.246 117.122 0.124 18521 68 1 1 . 1 1 13 13 LYS HA H 13 3.964 3.964 4.245 -0.281 18521 69 1 1 . 1 1 13 13 LYS C C 13 180.132 180.132 178.339 1.793 18521 70 1 1 . 1 1 13 13 LYS CA C 13 58.991 58.991 59.209 -0.218 18521 71 1 1 . 1 1 13 13 LYS CB C 13 32.014 32.014 32.056 -0.042 18521 72 1 1 . 1 1 13 13 LYS H H 13 7.961 7.961 7.649 0.312 18521 73 1 1 . 1 1 14 14 ASP N N 14 122.162 122.162 119.646 2.516 18521 74 1 1 . 1 1 14 14 ASP HA H 14 4.355 4.355 4.405 -0.050 18521 75 1 1 . 1 1 14 14 ASP C C 14 179.394 179.394 178.324 1.070 18521 76 1 1 . 1 1 14 14 ASP CA C 14 57.524 57.524 56.882 0.642 18521 77 1 1 . 1 1 14 14 ASP CB C 14 39.984 39.984 40.388 -0.404 18521 78 1 1 . 1 1 14 14 ASP H H 14 7.702 7.702 7.659 0.043 18521 79 1 1 . 1 1 15 15 PHE N N 15 119.552 119.552 118.054 1.498 18521 80 1 1 . 1 1 15 15 PHE HA H 15 4.307 4.307 4.214 0.093 18521 81 1 1 . 1 1 15 15 PHE C C 15 178.383 178.383 177.855 0.528 18521 82 1 1 . 1 1 15 15 PHE CA C 15 62.313 62.313 61.535 0.778 18521 83 1 1 . 1 1 15 15 PHE CB C 15 37.340 37.340 38.843 -1.502 18521 84 1 1 . 1 1 15 15 PHE H H 15 7.970 7.970 7.580 0.390 18521 85 1 1 . 1 1 16 16 ASP N N 16 121.464 121.464 119.644 1.820 18521 86 1 1 . 1 1 16 16 ASP HA H 16 4.016 4.016 4.454 -0.438 18521 87 1 1 . 1 1 16 16 ASP C C 16 179.923 179.923 179.217 0.706 18521 88 1 1 . 1 1 16 16 ASP CA C 16 58.030 58.030 57.341 0.689 18521 89 1 1 . 1 1 16 16 ASP CB C 16 41.407 41.407 40.166 1.241 18521 90 1 1 . 1 1 16 16 ASP H H 16 8.259 8.259 7.818 0.441 18521 91 1 1 . 1 1 17 17 LYS N N 17 118.806 118.806 120.687 -1.881 18521 92 1 1 . 1 1 17 17 LYS HA H 17 4.047 4.047 4.130 -0.083 18521 93 1 1 . 1 1 17 17 LYS C C 17 178.432 178.432 177.901 0.531 18521 94 1 1 . 1 1 17 17 LYS CA C 17 59.018 59.018 58.962 0.056 18521 95 1 1 . 1 1 17 17 LYS CB C 17 32.592 32.592 32.644 -0.052 18521 96 1 1 . 1 1 17 17 LYS H H 17 7.842 7.842 7.628 0.214 18521 97 1 1 . 1 1 18 18 VAL N N 18 110.416 110.416 116.785 -6.369 18521 98 1 1 . 1 1 18 18 VAL HA H 18 4.523 4.523 4.047 0.476 18521 99 1 1 . 1 1 18 18 VAL C C 18 176.089 176.089 175.729 0.360 18521 100 1 1 . 1 1 18 18 VAL CA C 18 60.797 60.797 62.874 -2.077 18521 101 1 1 . 1 1 18 18 VAL CB C 18 31.194 31.194 32.194 -1.000 18521 102 1 1 . 1 1 18 18 VAL H H 18 7.198 7.198 7.317 -0.119 18521 103 1 1 . 1 1 19 19 GLY N N 19 109.008 109.008 107.994 1.014 18521 104 1 1 . 1 1 19 19 GLY C C 19 175.070 175.070 174.616 0.454 18521 105 1 1 . 1 1 19 19 GLY CA C 19 45.842 45.842 45.412 0.430 18521 106 1 1 . 1 1 19 19 GLY H H 19 7.731 7.731 7.704 0.027 18521 107 1 1 . 1 1 20 20 LEU N N 20 125.244 125.244 123.088 2.156 18521 108 1 1 . 1 1 20 20 LEU HA H 20 4.938 4.938 4.623 0.315 18521 109 1 1 . 1 1 20 20 LEU C C 20 177.890 177.890 176.931 0.959 18521 110 1 1 . 1 1 20 20 LEU CA C 20 52.674 52.674 53.209 -0.535 18521 111 1 1 . 1 1 20 20 LEU CB C 20 40.239 40.239 40.037 0.202 18521 112 1 1 . 1 1 20 20 LEU H H 20 8.102 8.102 8.310 -0.208 18521 113 1 1 . 1 1 21 21 GLY N N 21 108.031 108.031 109.846 -1.815 18521 114 1 1 . 1 1 21 21 GLY C C 21 176.174 176.174 175.905 0.269 18521 115 1 1 . 1 1 21 21 GLY CA C 21 47.352 47.352 47.426 -0.074 18521 116 1 1 . 1 1 21 21 GLY H H 21 8.046 8.046 8.008 0.038 18521 117 1 1 . 1 1 22 22 ILE N N 22 121.173 121.173 121.985 -0.812 18521 118 1 1 . 1 1 22 22 ILE HA H 22 3.944 3.944 3.759 0.185 18521 119 1 1 . 1 1 22 22 ILE C C 22 176.119 176.119 177.648 -1.529 18521 120 1 1 . 1 1 22 22 ILE CA C 22 61.179 61.179 64.733 -3.554 18521 121 1 1 . 1 1 22 22 ILE CB C 22 35.934 35.934 37.888 -1.954 18521 122 1 1 . 1 1 22 22 ILE H H 22 8.395 8.395 8.086 0.309 18521 123 1 1 . 1 1 23 23 ILE N N 23 120.647 120.647 120.190 0.457 18521 124 1 1 . 1 1 23 23 ILE HA H 23 3.713 3.713 3.782 -0.069 18521 125 1 1 . 1 1 23 23 ILE C C 23 178.458 178.458 178.588 -0.130 18521 126 1 1 . 1 1 23 23 ILE CA C 23 64.266 64.266 62.371 1.895 18521 127 1 1 . 1 1 23 23 ILE CB C 23 36.272 36.272 36.096 0.176 18521 128 1 1 . 1 1 23 23 ILE H H 23 6.824 6.824 7.317 -0.493 18521 129 1 1 . 1 1 24 24 GLY N N 24 103.326 103.326 107.784 -4.458 18521 130 1 1 . 1 1 24 24 GLY C C 24 174.914 174.914 175.634 -0.720 18521 131 1 1 . 1 1 24 24 GLY CA C 24 47.998 47.998 47.066 0.932 18521 132 1 1 . 1 1 24 24 GLY H H 24 7.412 7.412 7.777 -0.365 18521 133 1 1 . 1 1 25 25 TYR N N 25 124.188 124.188 124.046 0.142 18521 134 1 1 . 1 1 25 25 TYR HA H 25 3.734 3.734 3.728 0.006 18521 135 1 1 . 1 1 25 25 TYR C C 25 176.055 176.055 177.150 -1.095 18521 136 1 1 . 1 1 25 25 TYR CA C 25 60.962 60.962 60.677 0.285 18521 137 1 1 . 1 1 25 25 TYR CB C 25 37.888 37.888 37.646 0.242 18521 138 1 1 . 1 1 25 25 TYR H H 25 7.861 7.861 8.171 -0.310 18521 139 1 1 . 1 1 26 26 TYR N N 26 117.390 117.390 117.318 0.072 18521 140 1 1 . 1 1 26 26 TYR HA H 26 3.881 3.881 3.907 -0.026 18521 141 1 1 . 1 1 26 26 TYR C C 26 178.653 178.653 177.945 0.708 18521 142 1 1 . 1 1 26 26 TYR CA C 26 64.270 64.270 62.399 1.871 18521 143 1 1 . 1 1 26 26 TYR CB C 26 37.453 37.453 38.166 -0.713 18521 144 1 1 . 1 1 26 26 TYR H H 26 7.594 7.594 7.575 0.019 18521 145 1 1 . 1 1 27 27 LEU N N 27 118.536 118.536 119.497 -0.961 18521 146 1 1 . 1 1 27 27 LEU HA H 27 4.277 4.277 3.799 0.478 18521 147 1 1 . 1 1 27 27 LEU C C 27 179.025 179.025 178.918 0.107 18521 148 1 1 . 1 1 27 27 LEU CA C 27 58.382 58.382 58.227 0.155 18521 149 1 1 . 1 1 27 27 LEU CB C 27 42.595 42.595 41.060 1.535 18521 150 1 1 . 1 1 27 27 LEU H H 27 8.226 8.226 7.861 0.365 18521 151 1 1 . 1 1 28 28 GLN N N 28 119.110 119.110 117.858 1.252 18521 152 1 1 . 1 1 28 28 GLN HA H 28 3.665 3.665 3.822 -0.157 18521 153 1 1 . 1 1 28 28 GLN C C 28 177.406 177.406 178.394 -0.988 18521 154 1 1 . 1 1 28 28 GLN CA C 28 60.626 60.626 58.941 1.685 18521 155 1 1 . 1 1 28 28 GLN CB C 28 28.959 28.959 28.541 0.418 18521 156 1 1 . 1 1 28 28 GLN H H 28 8.007 8.007 8.108 -0.101 18521 157 1 1 . 1 1 29 29 LEU N N 29 121.623 121.623 120.849 0.774 18521 158 1 1 . 1 1 29 29 LEU HA H 29 3.718 3.718 3.874 -0.156 18521 159 1 1 . 1 1 29 29 LEU C C 29 179.706 179.706 178.080 1.626 18521 160 1 1 . 1 1 29 29 LEU CA C 29 58.382 58.382 57.492 0.889 18521 161 1 1 . 1 1 29 29 LEU CB C 29 42.114 42.114 41.447 0.667 18521 162 1 1 . 1 1 29 29 LEU H H 29 7.938 7.938 7.225 0.713 18521 163 1 1 . 1 1 30 30 TYR N N 30 120.084 120.084 120.724 -0.640 18521 164 1 1 . 1 1 30 30 TYR HA H 30 4.132 4.132 3.975 0.157 18521 165 1 1 . 1 1 30 30 TYR C C 30 175.611 175.611 177.140 -1.529 18521 166 1 1 . 1 1 30 30 TYR CA C 30 58.951 58.951 59.690 -0.739 18521 167 1 1 . 1 1 30 30 TYR CB C 30 39.302 39.302 37.736 1.566 18521 168 1 1 . 1 1 30 30 TYR H H 30 7.974 7.974 8.139 -0.165 18521 169 1 1 . 1 1 31 31 ALA N N 31 121.802 121.802 121.210 0.592 18521 170 1 1 . 1 1 31 31 ALA HA H 31 3.343 3.343 3.510 -0.167 18521 171 1 1 . 1 1 31 31 ALA C C 31 178.911 178.911 179.392 -0.481 18521 172 1 1 . 1 1 31 31 ALA CA C 31 55.429 55.429 54.821 0.608 18521 173 1 1 . 1 1 31 31 ALA CB C 31 17.895 17.895 17.870 0.025 18521 174 1 1 . 1 1 31 31 ALA H H 31 8.504 8.504 8.006 0.498 18521 175 1 1 . 1 1 32 32 VAL N N 32 116.528 116.528 118.550 -2.022 18521 176 1 1 . 1 1 32 32 VAL HA H 32 3.249 3.249 3.430 -0.181 18521 177 1 1 . 1 1 32 32 VAL C C 32 176.963 176.963 178.044 -1.081 18521 178 1 1 . 1 1 32 32 VAL CA C 32 67.723 67.723 67.139 0.584 18521 179 1 1 . 1 1 32 32 VAL CB C 32 31.403 31.403 31.176 0.227 18521 180 1 1 . 1 1 32 32 VAL H H 32 8.027 8.027 7.716 0.311 18521 181 1 1 . 1 1 33 33 GLU N N 33 118.609 118.609 119.305 -0.696 18521 182 1 1 . 1 1 33 33 GLU HA H 33 3.804 3.804 4.017 -0.213 18521 183 1 1 . 1 1 33 33 GLU C C 33 180.234 180.234 179.150 1.084 18521 184 1 1 . 1 1 33 33 GLU CA C 33 59.446 59.446 59.283 0.163 18521 185 1 1 . 1 1 33 33 GLU CB C 33 28.711 28.711 29.572 -0.861 18521 186 1 1 . 1 1 33 33 GLU H H 33 7.299 7.299 7.565 -0.266 18521 187 1 1 . 1 1 34 34 LEU N N 34 120.831 120.831 121.494 -0.663 18521 188 1 1 . 1 1 34 34 LEU HA H 34 3.702 3.702 3.786 -0.084 18521 189 1 1 . 1 1 34 34 LEU C C 34 180.024 180.024 178.481 1.543 18521 190 1 1 . 1 1 34 34 LEU CA C 34 57.815 57.815 58.063 -0.248 18521 191 1 1 . 1 1 34 34 LEU CB C 34 42.097 42.097 41.586 0.511 18521 192 1 1 . 1 1 34 34 LEU H H 34 8.168 8.168 7.617 0.551 18521 193 1 1 . 1 1 35 35 ILE N N 35 120.733 120.733 118.504 2.229 18521 194 1 1 . 1 1 35 35 ILE HA H 35 3.589 3.589 3.604 -0.015 18521 195 1 1 . 1 1 35 35 ILE C C 35 178.501 178.501 178.876 -0.375 18521 196 1 1 . 1 1 35 35 ILE CA C 35 65.363 65.363 65.148 0.215 18521 197 1 1 . 1 1 35 35 ILE CB C 35 38.960 38.960 38.039 0.921 18521 198 1 1 . 1 1 35 35 ILE H H 35 8.064 8.064 7.783 0.281 18521 199 1 1 . 1 1 36 36 LEU N N 36 115.519 115.519 119.617 -4.098 18521 200 1 1 . 1 1 36 36 LEU HA H 36 3.958 3.958 3.993 -0.035 18521 201 1 1 . 1 1 36 36 LEU C C 36 178.244 178.244 178.288 -0.044 18521 202 1 1 . 1 1 36 36 LEU CA C 36 56.069 56.069 57.506 -1.437 18521 203 1 1 . 1 1 36 36 LEU CB C 36 40.528 40.528 41.568 -1.040 18521 204 1 1 . 1 1 36 36 LEU H H 36 8.370 8.370 7.572 0.798 18521 205 1 1 . 1 1 37 37 SER N N 37 113.976 113.976 111.247 2.729 18521 206 1 1 . 1 1 37 37 SER HA H 37 4.197 4.197 4.311 -0.114 18521 207 1 1 . 1 1 37 37 SER C C 37 173.934 173.934 174.306 -0.372 18521 208 1 1 . 1 1 37 37 SER CA C 37 60.204 60.204 59.911 0.293 18521 209 1 1 . 1 1 37 37 SER CB C 37 63.507 63.507 63.599 -0.092 18521 210 1 1 . 1 1 37 37 SER H H 37 7.523 7.523 7.980 -0.457 18521 211 1 1 . 1 1 38 38 GLU N N 38 123.219 123.219 121.480 1.739 18521 212 1 1 . 1 1 38 38 GLU HA H 38 4.426 4.426 4.311 0.115 18521 213 1 1 . 1 1 38 38 GLU C C 38 175.767 175.767 176.365 -0.598 18521 214 1 1 . 1 1 38 38 GLU CA C 38 55.046 55.046 55.691 -0.644 18521 215 1 1 . 1 1 38 38 GLU CB C 38 30.395 30.395 30.387 0.008 18521 216 1 1 . 1 1 38 38 GLU H H 38 7.185 7.185 7.535 -0.350 18521 217 1 1 . 1 1 39 39 GLU N N 39 126.955 126.955 123.702 3.253 18521 218 1 1 . 1 1 39 39 GLU HA H 39 3.985 3.985 4.071 -0.086 18521 219 1 1 . 1 1 39 39 GLU C C 39 176.861 176.861 175.962 0.899 18521 220 1 1 . 1 1 39 39 GLU CA C 39 58.331 58.331 58.243 0.088 18521 221 1 1 . 1 1 39 39 GLU CB C 39 30.008 30.008 29.918 0.090 18521 222 1 1 . 1 1 39 39 GLU H H 39 8.632 8.632 8.586 0.046 18521 223 1 1 . 1 1 40 40 ASP N N 40 119.763 119.763 119.895 -0.132 18521 224 1 1 . 1 1 40 40 ASP HA H 40 4.616 4.616 4.689 -0.073 18521 225 1 1 . 1 1 40 40 ASP C C 40 174.989 174.989 175.405 -0.416 18521 226 1 1 . 1 1 40 40 ASP CA C 40 53.281 53.281 54.102 -0.821 18521 227 1 1 . 1 1 40 40 ASP CB C 40 39.814 39.814 40.614 -0.800 18521 228 1 1 . 1 1 40 40 ASP H H 40 8.560 8.560 8.133 0.427 18521 229 1 1 . 1 1 41 41 ARG N N 41 119.595 119.595 121.689 -2.094 18521 230 1 1 . 1 1 41 41 ARG HA H 41 4.390 4.390 4.565 -0.175 18521 231 1 1 . 1 1 41 41 ARG C C 41 175.553 175.553 174.728 0.825 18521 232 1 1 . 1 1 41 41 ARG CA C 41 54.707 54.707 55.146 -0.439 18521 233 1 1 . 1 1 41 41 ARG CB C 41 31.865 31.865 33.746 -1.881 18521 234 1 1 . 1 1 41 41 ARG H H 41 7.443 7.443 8.478 -1.035 18521 235 1 1 . 1 1 42 42 SER N N 42 119.463 119.463 117.233 2.230 18521 236 1 1 . 1 1 42 42 SER HA H 42 4.381 4.381 4.753 -0.372 18521 237 1 1 . 1 1 42 42 SER C C 42 175.361 175.361 175.234 0.127 18521 238 1 1 . 1 1 42 42 SER CA C 42 57.137 57.137 56.127 1.010 18521 239 1 1 . 1 1 42 42 SER CB C 42 65.166 65.166 64.702 0.464 18521 240 1 1 . 1 1 42 42 SER H H 42 8.556 8.556 8.456 0.100 18521 241 1 1 . 1 1 43 43 GLN N N 43 122.535 122.535 123.882 -1.347 18521 242 1 1 . 1 1 43 43 GLN HA H 43 4.018 4.018 3.987 0.031 18521 243 1 1 . 1 1 43 43 GLN C C 43 178.768 178.768 177.679 1.089 18521 244 1 1 . 1 1 43 43 GLN CA C 43 59.073 59.073 59.774 -0.701 18521 245 1 1 . 1 1 43 43 GLN CB C 43 27.871 27.871 28.679 -0.808 18521 246 1 1 . 1 1 43 43 GLN H H 43 9.087 9.087 8.931 0.156 18521 247 1 1 . 1 1 44 44 GLU N N 44 120.308 120.308 120.035 0.273 18521 248 1 1 . 1 1 44 44 GLU HA H 44 3.982 3.982 4.108 -0.126 18521 249 1 1 . 1 1 44 44 GLU C C 44 179.737 179.737 178.790 0.947 18521 250 1 1 . 1 1 44 44 GLU CA C 44 60.142 60.142 59.473 0.669 18521 251 1 1 . 1 1 44 44 GLU CB C 44 28.801 28.801 29.532 -0.730 18521 252 1 1 . 1 1 44 44 GLU H H 44 8.958 8.958 7.884 1.074 18521 253 1 1 . 1 1 45 45 MET N N 45 120.968 120.968 117.238 3.730 18521 254 1 1 . 1 1 45 45 MET HA H 45 4.432 4.432 4.186 0.246 18521 255 1 1 . 1 1 45 45 MET C C 45 178.153 178.153 178.743 -0.590 18521 256 1 1 . 1 1 45 45 MET CA C 45 57.117 57.117 58.878 -1.761 18521 257 1 1 . 1 1 45 45 MET CB C 45 32.517 32.517 32.607 -0.090 18521 258 1 1 . 1 1 45 45 MET H H 45 7.740 7.740 7.941 -0.201 18521 259 1 1 . 1 1 46 46 THR N N 46 120.159 120.159 116.352 3.807 18521 260 1 1 . 1 1 46 46 THR HA H 46 3.620 3.620 3.922 -0.302 18521 261 1 1 . 1 1 46 46 THR C C 46 176.389 176.389 176.140 0.249 18521 262 1 1 . 1 1 46 46 THR CA C 46 67.416 67.416 67.400 0.016 18521 263 1 1 . 1 1 46 46 THR CB C 46 68.208 68.208 68.442 -0.234 18521 264 1 1 . 1 1 46 46 THR H H 46 8.190 8.190 8.554 -0.364 18521 265 1 1 . 1 1 47 47 ALA N N 47 124.729 124.729 123.699 1.030 18521 266 1 1 . 1 1 47 47 ALA HA H 47 4.060 4.060 4.146 -0.086 18521 267 1 1 . 1 1 47 47 ALA C C 47 179.554 179.554 179.000 0.554 18521 268 1 1 . 1 1 47 47 ALA CA C 47 55.195 55.195 54.688 0.507 18521 269 1 1 . 1 1 47 47 ALA CB C 47 17.654 17.654 18.332 -0.678 18521 270 1 1 . 1 1 47 47 ALA H H 47 8.292 8.292 7.765 0.527 18521 271 1 1 . 1 1 48 48 LEU N N 48 122.244 122.244 120.882 1.362 18521 272 1 1 . 1 1 48 48 LEU HA H 48 4.195 4.195 4.056 0.139 18521 273 1 1 . 1 1 48 48 LEU C C 48 178.022 178.022 178.463 -0.441 18521 274 1 1 . 1 1 48 48 LEU CA C 48 57.695 57.695 57.486 0.209 18521 275 1 1 . 1 1 48 48 LEU CB C 48 41.236 41.236 41.688 -0.452 18521 276 1 1 . 1 1 48 48 LEU H H 48 7.723 7.723 7.856 -0.133 18521 277 1 1 . 1 1 49 49 ALA N N 49 120.883 120.883 120.367 0.516 18521 278 1 1 . 1 1 49 49 ALA HA H 49 3.854 3.854 3.890 -0.036 18521 279 1 1 . 1 1 49 49 ALA C C 49 178.770 178.770 179.425 -0.655 18521 280 1 1 . 1 1 49 49 ALA CA C 49 55.836 55.836 55.230 0.606 18521 281 1 1 . 1 1 49 49 ALA CB C 49 17.137 17.137 18.150 -1.013 18521 282 1 1 . 1 1 49 49 ALA H H 49 8.210 8.210 7.884 0.326 18521 283 1 1 . 1 1 50 50 THR N N 50 113.676 113.676 114.930 -1.254 18521 284 1 1 . 1 1 50 50 THR HA H 50 3.765 3.765 3.894 -0.129 18521 285 1 1 . 1 1 50 50 THR C C 50 175.836 175.836 176.493 -0.657 18521 286 1 1 . 1 1 50 50 THR CA C 50 66.975 66.975 67.364 -0.389 18521 287 1 1 . 1 1 50 50 THR CB C 50 68.976 68.976 68.570 0.406 18521 288 1 1 . 1 1 50 50 THR H H 50 7.891 7.891 7.449 0.442 18521 289 1 1 . 1 1 51 51 GLU N N 51 123.445 123.445 121.954 1.491 18521 290 1 1 . 1 1 51 51 GLU HA H 51 4.221 4.221 4.042 0.179 18521 291 1 1 . 1 1 51 51 GLU C C 51 179.906 179.906 178.999 0.907 18521 292 1 1 . 1 1 51 51 GLU CA C 51 59.436 59.436 59.360 0.076 18521 293 1 1 . 1 1 51 51 GLU CB C 51 29.498 29.498 29.487 0.011 18521 294 1 1 . 1 1 51 51 GLU H H 51 7.877 7.877 7.706 0.171 18521 295 1 1 . 1 1 52 52 LEU N N 52 121.629 121.629 119.270 2.359 18521 296 1 1 . 1 1 52 52 LEU HA H 52 3.907 3.907 4.034 -0.127 18521 297 1 1 . 1 1 52 52 LEU C C 52 178.993 178.993 179.186 -0.193 18521 298 1 1 . 1 1 52 52 LEU CA C 52 57.840 57.840 57.542 0.298 18521 299 1 1 . 1 1 52 52 LEU CB C 52 42.076 42.076 41.832 0.244 18521 300 1 1 . 1 1 52 52 LEU H H 52 8.670 8.670 7.509 1.161 18521 301 1 1 . 1 1 53 53 LEU N N 53 119.996 119.996 119.663 0.333 18521 302 1 1 . 1 1 53 53 LEU HA H 53 3.949 3.949 3.791 0.158 18521 303 1 1 . 1 1 53 53 LEU C C 53 179.950 179.950 178.904 1.046 18521 304 1 1 . 1 1 53 53 LEU CA C 53 58.480 58.480 57.992 0.488 18521 305 1 1 . 1 1 53 53 LEU CB C 53 41.341 41.341 41.062 0.279 18521 306 1 1 . 1 1 53 53 LEU H H 53 8.336 8.336 7.563 0.773 18521 307 1 1 . 1 1 54 54 ASP N N 54 120.632 120.632 118.553 2.079 18521 308 1 1 . 1 1 54 54 ASP HA H 54 4.409 4.409 4.425 -0.016 18521 309 1 1 . 1 1 54 54 ASP C C 54 179.383 179.383 178.238 1.145 18521 310 1 1 . 1 1 54 54 ASP CA C 54 57.510 57.510 57.504 0.006 18521 311 1 1 . 1 1 54 54 ASP CB C 54 40.275 40.275 40.329 -0.054 18521 312 1 1 . 1 1 54 54 ASP H H 54 7.884 7.884 7.743 0.141 18521 313 1 1 . 1 1 55 55 THR N N 55 121.006 121.006 116.987 4.019 18521 314 1 1 . 1 1 55 55 THR HA H 55 3.923 3.923 4.100 -0.177 18521 315 1 1 . 1 1 55 55 THR C C 55 177.066 177.066 176.757 0.309 18521 316 1 1 . 1 1 55 55 THR CA C 55 67.018 67.018 66.974 0.044 18521 317 1 1 . 1 1 55 55 THR CB C 55 68.725 68.725 68.715 0.010 18521 318 1 1 . 1 1 55 55 THR H H 55 8.279 8.279 7.250 1.029 18521 319 1 1 . 1 1 56 56 ILE N N 56 125.465 125.465 122.735 2.730 18521 320 1 1 . 1 1 56 56 ILE HA H 56 3.748 3.748 3.820 -0.072 18521 321 1 1 . 1 1 56 56 ILE C C 56 177.879 177.879 177.743 0.136 18521 322 1 1 . 1 1 56 56 ILE CA C 56 65.765 65.765 66.406 -0.641 18521 323 1 1 . 1 1 56 56 ILE CB C 56 38.646 38.646 37.775 0.871 18521 324 1 1 . 1 1 56 56 ILE H H 56 8.872 8.872 8.234 0.638 18521 325 1 1 . 1 1 57 57 GLU N N 57 119.951 119.951 120.031 -0.080 18521 326 1 1 . 1 1 57 57 GLU HA H 57 4.034 4.034 3.928 0.106 18521 327 1 1 . 1 1 57 57 GLU C C 57 179.357 179.357 178.796 0.561 18521 328 1 1 . 1 1 57 57 GLU CA C 57 59.241 59.241 59.788 -0.547 18521 329 1 1 . 1 1 57 57 GLU CB C 57 29.226 29.226 29.714 -0.488 18521 330 1 1 . 1 1 57 57 GLU H H 57 8.024 8.024 7.995 0.029 18521 331 1 1 . 1 1 58 58 ALA N N 58 122.402 122.402 122.355 0.047 18521 332 1 1 . 1 1 58 58 ALA HA H 58 4.044 4.044 4.118 -0.074 18521 333 1 1 . 1 1 58 58 ALA C C 58 180.049 180.049 179.697 0.352 18521 334 1 1 . 1 1 58 58 ALA CA C 58 55.167 55.167 55.059 0.108 18521 335 1 1 . 1 1 58 58 ALA CB C 58 17.836 17.836 18.293 -0.457 18521 336 1 1 . 1 1 58 58 ALA H H 58 8.026 8.026 8.153 -0.127 18521 337 1 1 . 1 1 59 59 PHE N N 59 122.034 122.034 120.465 1.569 18521 338 1 1 . 1 1 59 59 PHE HA H 59 4.165 4.165 4.210 -0.045 18521 339 1 1 . 1 1 59 59 PHE C C 59 177.169 177.169 177.263 -0.094 18521 340 1 1 . 1 1 59 59 PHE CA C 59 61.373 61.373 61.309 0.064 18521 341 1 1 . 1 1 59 59 PHE CB C 59 39.384 39.384 39.703 -0.319 18521 342 1 1 . 1 1 59 59 PHE H H 59 8.243 8.243 8.848 -0.605 18521 343 1 1 . 1 1 60 60 LYS N N 60 117.415 117.415 119.644 -2.229 18521 344 1 1 . 1 1 60 60 LYS HA H 60 3.490 3.490 3.654 -0.164 18521 345 1 1 . 1 1 60 60 LYS C C 60 179.705 179.705 178.416 1.289 18521 346 1 1 . 1 1 60 60 LYS CA C 60 60.051 60.051 59.396 0.655 18521 347 1 1 . 1 1 60 60 LYS CB C 60 32.376 32.376 32.459 -0.083 18521 348 1 1 . 1 1 60 60 LYS H H 60 7.978 7.978 8.733 -0.755 18521 349 1 1 . 1 1 61 61 LYS N N 61 119.540 119.540 118.558 0.982 18521 350 1 1 . 1 1 61 61 LYS HA H 61 3.942 3.942 3.986 -0.044 18521 351 1 1 . 1 1 61 61 LYS C C 61 178.728 178.728 178.679 0.049 18521 352 1 1 . 1 1 61 61 LYS CA C 61 58.878 58.878 59.374 -0.496 18521 353 1 1 . 1 1 61 61 LYS CB C 61 32.626 32.626 32.301 0.325 18521 354 1 1 . 1 1 61 61 LYS H H 61 7.853 7.853 8.181 -0.328 18521 355 1 1 . 1 1 62 62 GLU N N 62 121.166 121.166 116.463 4.703 18521 356 1 1 . 1 1 62 62 GLU HA H 62 3.933 3.933 4.048 -0.115 18521 357 1 1 . 1 1 62 62 GLU C C 62 178.405 178.405 177.247 1.158 18521 358 1 1 . 1 1 62 62 GLU CA C 62 58.655 58.655 58.475 0.180 18521 359 1 1 . 1 1 62 62 GLU CB C 62 29.439 29.439 29.657 -0.218 18521 360 1 1 . 1 1 62 62 GLU H H 62 7.956 7.956 7.566 0.390 18521 361 1 1 . 1 1 63 63 ILE N N 63 117.896 117.896 116.711 1.185 18521 362 1 1 . 1 1 63 63 ILE HA H 63 3.707 3.707 4.201 -0.494 18521 363 1 1 . 1 1 63 63 ILE C C 63 177.438 177.438 176.748 0.690 18521 364 1 1 . 1 1 63 63 ILE CA C 63 61.473 61.473 60.337 1.136 18521 365 1 1 . 1 1 63 63 ILE CB C 63 36.546 36.546 38.950 -2.405 18521 366 1 1 . 1 1 63 63 ILE H H 63 7.652 7.652 7.262 0.390 18521 367 1 1 . 1 1 64 64 GLY N N 64 108.028 108.028 109.599 -1.571 18521 368 1 1 . 1 1 64 64 GLY C C 64 175.261 175.261 175.022 0.239 18521 369 1 1 . 1 1 64 64 GLY CA C 64 45.891 45.891 46.972 -1.081 18521 370 1 1 . 1 1 64 64 GLY H H 64 7.654 7.654 8.266 -0.612 18521 371 1 1 . 1 1 65 65 GLY N N 65 108.488 108.488 107.411 1.077 18521 372 1 1 . 1 1 65 65 GLY C C 65 174.844 174.844 175.355 -0.511 18521 373 1 1 . 1 1 65 65 GLY CA C 65 45.608 45.608 45.185 0.423 18521 374 1 1 . 1 1 65 65 GLY H H 65 7.817 7.817 8.312 -0.495 18521 375 1 1 . 1 1 66 66 GLU N N 66 121.078 121.078 118.992 2.086 18521 376 1 1 . 1 1 66 66 GLU HA H 66 4.167 4.167 4.096 0.071 18521 377 1 1 . 1 1 66 66 GLU C C 66 177.218 177.218 177.038 0.180 18521 378 1 1 . 1 1 66 66 GLU CA C 66 57.075 57.075 58.724 -1.649 18521 379 1 1 . 1 1 66 66 GLU CB C 66 30.015 30.015 29.836 0.179 18521 380 1 1 . 1 1 66 66 GLU H H 66 8.195 8.195 8.710 -0.515 18521 381 1 1 . 1 1 67 67 SER N N 67 116.370 116.370 110.836 5.534 18521 382 1 1 . 1 1 67 67 SER HA H 67 4.187 4.187 4.461 -0.274 18521 383 1 1 . 1 1 67 67 SER C C 67 174.670 174.670 175.256 -0.586 18521 384 1 1 . 1 1 67 67 SER CA C 67 58.875 58.875 60.037 -1.162 18521 385 1 1 . 1 1 67 67 SER CB C 67 63.783 63.783 63.711 0.072 18521 386 1 1 . 1 1 67 67 SER H H 67 8.205 8.205 8.236 -0.031 18521 387 1 1 . 1 1 68 68 GLU N N 68 122.388 122.388 122.285 0.103 18521 388 1 1 . 1 1 68 68 GLU HA H 68 4.173 4.173 4.104 0.069 18521 389 1 1 . 1 1 68 68 GLU C C 68 176.364 176.364 178.008 -1.644 18521 390 1 1 . 1 1 68 68 GLU CA C 68 56.734 56.734 59.029 -2.295 18521 391 1 1 . 1 1 68 68 GLU CB C 68 29.986 29.986 29.398 0.588 18521 392 1 1 . 1 1 68 68 GLU H H 68 8.170 8.170 8.767 -0.597 18521 393 1 1 . 1 1 69 69 ALA N N 69 124.265 124.265 121.244 3.021 18521 394 1 1 . 1 1 69 69 ALA HA H 69 4.212 4.212 4.360 -0.148 18521 395 1 1 . 1 1 69 69 ALA C C 69 178.042 178.042 178.476 -0.434 18521 396 1 1 . 1 1 69 69 ALA CA C 69 52.468 52.468 54.445 -1.977 18521 397 1 1 . 1 1 69 69 ALA CB C 69 19.411 19.411 18.211 1.200 18521 398 1 1 . 1 1 69 69 ALA H H 69 7.931 7.931 8.110 -0.179 18521 399 1 1 . 1 1 70 70 GLU N N 70 121.086 121.086 117.253 3.833 18521 400 1 1 . 1 1 70 70 GLU HA H 70 4.110 4.110 3.971 0.139 18521 401 1 1 . 1 1 70 70 GLU C C 70 180.047 180.047 178.177 1.870 18521 402 1 1 . 1 1 70 70 GLU CA C 70 57.325 57.325 58.962 -1.637 18521 403 1 1 . 1 1 70 70 GLU CB C 70 29.969 29.969 29.624 0.345 18521 404 1 1 . 1 1 70 70 GLU H H 70 8.447 8.447 7.806 0.641 18521 405 1 1 . 1 1 71 71 ASP N N 71 120.210 120.210 117.995 2.215 18521 406 1 1 . 1 1 71 71 ASP HA H 71 4.545 4.545 4.490 0.055 18521 407 1 1 . 1 1 71 71 ASP C C 71 176.385 176.385 176.802 -0.417 18521 408 1 1 . 1 1 71 71 ASP CA C 71 54.149 54.149 56.271 -2.122 18521 409 1 1 . 1 1 71 71 ASP CB C 71 40.756 40.756 41.155 -0.399 18521 410 1 1 . 1 1 71 71 ASP H H 71 8.308 8.308 7.579 0.729 18521 411 1 1 . 1 1 72 72 SER N N 72 116.137 116.137 112.919 3.218 18521 412 1 1 . 1 1 72 72 SER HA H 72 4.259 4.259 4.636 -0.377 18521 413 1 1 . 1 1 72 72 SER C C 72 174.578 174.578 173.210 1.368 18521 414 1 1 . 1 1 72 72 SER CA C 72 58.851 58.851 57.519 1.332 18521 415 1 1 . 1 1 72 72 SER CB C 72 63.870 63.870 63.236 0.633 18521 416 1 1 . 1 1 72 72 SER H H 72 7.954 7.954 7.752 0.202 18521 417 1 1 . 1 1 73 73 ASP N N 73 122.500 122.500 125.089 -2.589 18521 418 1 1 . 1 1 73 73 ASP HA H 73 4.534 4.534 4.735 -0.201 18521 419 1 1 . 1 1 73 73 ASP C C 73 176.903 176.903 176.278 0.625 18521 420 1 1 . 1 1 73 73 ASP CA C 73 54.442 54.442 54.117 0.325 18521 421 1 1 . 1 1 73 73 ASP CB C 73 41.253 41.253 40.165 1.088 18521 422 1 1 . 1 1 73 73 ASP H H 73 8.384 8.384 8.819 -0.435 18521 423 1 1 . 1 1 74 74 LYS N N 74 123.374 123.374 119.952 3.422 18521 424 1 1 . 1 1 74 74 LYS HA H 74 4.099 4.099 4.372 -0.273 18521 425 1 1 . 1 1 74 74 LYS C C 74 177.606 177.606 178.555 -0.949 18521 426 1 1 . 1 1 74 74 LYS CA C 74 57.527 57.527 58.434 -0.907 18521 427 1 1 . 1 1 74 74 LYS CB C 74 32.115 32.115 33.475 -1.360 18521 428 1 1 . 1 1 74 74 LYS H H 74 8.338 8.338 7.616 0.722 18521 429 1 1 . 1 1 75 75 SER N N 75 116.404 116.404 115.381 1.023 18521 430 1 1 . 1 1 75 75 SER HA H 75 4.190 4.190 4.257 -0.067 18521 431 1 1 . 1 1 75 75 SER C C 75 176.030 176.030 176.505 -0.475 18521 432 1 1 . 1 1 75 75 SER CA C 75 60.560 60.560 61.460 -0.900 18521 433 1 1 . 1 1 75 75 SER CB C 75 62.971 62.971 63.004 -0.033 18521 434 1 1 . 1 1 75 75 SER H H 75 8.409 8.409 8.262 0.147 18521 435 1 1 . 1 1 76 76 LEU N N 76 123.753 123.753 123.130 0.623 18521 436 1 1 . 1 1 76 76 LEU HA H 76 4.121 4.121 4.134 -0.013 18521 437 1 1 . 1 1 76 76 LEU C C 76 178.263 178.263 177.654 0.609 18521 438 1 1 . 1 1 76 76 LEU CA C 76 56.665 56.665 57.175 -0.510 18521 439 1 1 . 1 1 76 76 LEU CB C 76 41.538 41.538 41.773 -0.235 18521 440 1 1 . 1 1 76 76 LEU H H 76 8.068 8.068 7.797 0.271 18521 441 1 1 . 1 1 77 77 HIS N N 77 120.235 120.235 118.324 1.911 18521 442 1 1 . 1 1 77 77 HIS HA H 77 4.372 4.372 4.170 0.202 18521 443 1 1 . 1 1 77 77 HIS C C 77 177.974 177.974 177.119 0.855 18521 444 1 1 . 1 1 77 77 HIS CA C 77 58.504 58.504 59.758 -1.254 18521 445 1 1 . 1 1 77 77 HIS CB C 77 30.124 30.124 29.490 0.634 18521 446 1 1 . 1 1 77 77 HIS H H 77 7.955 7.955 8.185 -0.230 18521 447 1 1 . 1 1 78 78 VAL N N 78 121.721 121.721 120.238 1.483 18521 448 1 1 . 1 1 78 78 VAL HA H 78 3.612 3.612 3.637 -0.025 18521 449 1 1 . 1 1 78 78 VAL C C 78 177.688 177.688 177.766 -0.078 18521 450 1 1 . 1 1 78 78 VAL CA C 78 65.817 65.817 65.945 -0.128 18521 451 1 1 . 1 1 78 78 VAL CB C 78 31.729 31.729 31.349 0.380 18521 452 1 1 . 1 1 78 78 VAL H H 78 7.953 7.953 7.606 0.347 18521 453 1 1 . 1 1 79 79 MET N N 79 119.138 119.138 118.639 0.499 18521 454 1 1 . 1 1 79 79 MET HA H 79 3.879 3.879 3.970 -0.091 18521 455 1 1 . 1 1 79 79 MET C C 79 180.609 180.609 177.885 2.724 18521 456 1 1 . 1 1 79 79 MET CA C 79 59.210 59.210 59.300 -0.090 18521 457 1 1 . 1 1 79 79 MET CB C 79 34.157 34.157 32.225 1.932 18521 458 1 1 . 1 1 79 79 MET H H 79 8.132 8.132 7.744 0.388 18521 459 1 1 . 1 1 80 80 ASN N N 80 117.000 117.000 116.888 0.112 18521 460 1 1 . 1 1 80 80 ASN HA H 80 4.161 4.161 4.528 -0.367 18521 461 1 1 . 1 1 80 80 ASN C C 80 178.212 178.212 176.922 1.290 18521 462 1 1 . 1 1 80 80 ASN CA C 80 56.827 56.827 56.530 0.297 18521 463 1 1 . 1 1 80 80 ASN CB C 80 38.920 38.920 37.757 1.163 18521 464 1 1 . 1 1 80 80 ASN H H 80 8.195 8.195 8.376 -0.181 18521 465 1 1 . 1 1 81 81 THR N N 81 116.021 116.021 117.208 -1.187 18521 466 1 1 . 1 1 81 81 THR HA H 81 3.975 3.975 3.984 -0.009 18521 467 1 1 . 1 1 81 81 THR C C 81 175.237 175.237 176.449 -1.212 18521 468 1 1 . 1 1 81 81 THR CA C 81 66.507 66.507 67.195 -0.688 18521 469 1 1 . 1 1 81 81 THR CB C 81 68.813 68.813 68.468 0.345 18521 470 1 1 . 1 1 81 81 THR H H 81 7.952 7.952 7.745 0.207 18521 471 1 1 . 1 1 82 82 LEU N N 82 119.041 119.041 119.894 -0.853 18521 472 1 1 . 1 1 82 82 LEU HA H 82 4.040 4.040 4.101 -0.061 18521 473 1 1 . 1 1 82 82 LEU C C 82 177.541 177.541 178.061 -0.520 18521 474 1 1 . 1 1 82 82 LEU CA C 82 56.468 56.468 57.642 -1.174 18521 475 1 1 . 1 1 82 82 LEU CB C 82 42.247 42.247 41.846 0.401 18521 476 1 1 . 1 1 82 82 LEU H H 82 7.655 7.655 7.537 0.118 18521 477 1 1 . 1 1 83 83 ILE N N 83 118.063 118.063 114.980 3.083 18521 478 1 1 . 1 1 83 83 ILE HA H 83 3.805 3.805 4.006 -0.201 18521 479 1 1 . 1 1 83 83 ILE C C 83 176.681 176.681 177.816 -1.135 18521 480 1 1 . 1 1 83 83 ILE CA C 83 63.188 63.188 63.704 -0.516 18521 481 1 1 . 1 1 83 83 ILE CB C 83 37.939 37.939 38.459 -0.520 18521 482 1 1 . 1 1 83 83 ILE H H 83 7.455 7.455 7.175 0.280 18521 483 1 1 . 1 1 84 84 HIS N N 84 116.118 116.118 115.965 0.153 18521 484 1 1 . 1 1 84 84 HIS HA H 84 4.568 4.568 4.483 0.085 18521 485 1 1 . 1 1 84 84 HIS C C 84 175.568 175.568 175.555 0.013 18521 486 1 1 . 1 1 84 84 HIS CA C 84 58.425 58.425 58.987 -0.562 18521 487 1 1 . 1 1 84 84 HIS CB C 84 31.801 31.801 30.847 0.954 18521 488 1 1 . 1 1 84 84 HIS H H 84 7.168 7.168 8.600 -1.432 18521 489 1 1 . 1 1 85 85 ASP N N 85 122.411 122.411 119.816 2.595 18521 490 1 1 . 1 1 85 85 ASP HA H 85 4.546 4.546 4.730 -0.184 18521 491 1 1 . 1 1 85 85 ASP C C 85 175.527 175.527 176.833 -1.306 18521 492 1 1 . 1 1 85 85 ASP CA C 85 53.215 53.215 53.384 -0.169 18521 493 1 1 . 1 1 85 85 ASP CB C 85 40.936 40.936 40.730 0.206 18521 494 1 1 . 1 1 85 85 ASP H H 85 8.576 8.576 8.070 0.506 18521 495 1 1 . 1 1 86 86 GLN N N 86 122.561 122.561 126.726 -4.165 18521 496 1 1 . 1 1 86 86 GLN HA H 86 4.077 4.077 4.228 -0.151 18521 497 1 1 . 1 1 86 86 GLN C C 86 178.518 178.518 178.206 0.312 18521 498 1 1 . 1 1 86 86 GLN CA C 86 57.816 57.816 58.663 -0.847 18521 499 1 1 . 1 1 86 86 GLN CB C 86 29.165 29.165 28.807 0.358 18521 500 1 1 . 1 1 86 86 GLN H H 86 8.715 8.715 8.453 0.262 18521 501 1 1 . 1 1 87 87 GLU N N 87 121.616 121.616 120.272 1.344 18521 502 1 1 . 1 1 87 87 GLU HA H 87 4.042 4.042 3.695 0.347 18521 503 1 1 . 1 1 87 87 GLU C C 87 178.154 178.154 178.194 -0.040 18521 504 1 1 . 1 1 87 87 GLU CA C 87 59.051 59.051 59.577 -0.526 18521 505 1 1 . 1 1 87 87 GLU CB C 87 29.231 29.231 28.986 0.245 18521 506 1 1 . 1 1 87 87 GLU H H 87 8.073 8.073 7.851 0.222 18521 507 1 1 . 1 1 88 88 LYS N N 88 119.006 119.006 119.248 -0.242 18521 508 1 1 . 1 1 88 88 LYS HA H 88 3.754 3.754 4.038 -0.284 18521 509 1 1 . 1 1 88 88 LYS C C 88 177.129 177.129 178.588 -1.459 18521 510 1 1 . 1 1 88 88 LYS CA C 88 59.721 59.721 59.138 0.583 18521 511 1 1 . 1 1 88 88 LYS CB C 88 32.253 32.253 32.228 0.025 18521 512 1 1 . 1 1 88 88 LYS H H 88 7.525 7.525 8.337 -0.812 18521 513 1 1 . 1 1 89 89 ALA N N 89 121.945 121.945 121.492 0.453 18521 514 1 1 . 1 1 89 89 ALA HA H 89 3.734 3.734 4.041 -0.307 18521 515 1 1 . 1 1 89 89 ALA C C 89 177.545 177.545 178.952 -1.407 18521 516 1 1 . 1 1 89 89 ALA CA C 89 55.977 55.977 55.155 0.822 18521 517 1 1 . 1 1 89 89 ALA CB C 89 18.763 18.763 18.023 0.740 18521 518 1 1 . 1 1 89 89 ALA H H 89 8.472 8.472 7.963 0.509 18521 519 1 1 . 1 1 90 90 LYS N N 90 117.743 117.743 118.893 -1.150 18521 520 1 1 . 1 1 90 90 LYS HA H 90 4.015 4.015 2.613 1.402 18521 521 1 1 . 1 1 90 90 LYS C C 90 177.667 177.667 178.425 -0.758 18521 522 1 1 . 1 1 90 90 LYS CA C 90 58.703 58.703 58.672 0.031 18521 523 1 1 . 1 1 90 90 LYS CB C 90 32.779 32.779 31.377 1.402 18521 524 1 1 . 1 1 90 90 LYS H H 90 6.684 6.684 7.364 -0.680 18521 525 1 1 . 1 1 91 91 ILE N N 91 117.216 117.216 118.651 -1.435 18521 526 1 1 . 1 1 91 91 ILE HA H 91 3.414 3.414 3.622 -0.208 18521 527 1 1 . 1 1 91 91 ILE C C 91 178.422 178.422 177.858 0.564 18521 528 1 1 . 1 1 91 91 ILE CA C 91 64.094 64.094 65.362 -1.268 18521 529 1 1 . 1 1 91 91 ILE CB C 91 37.481 37.481 37.795 -0.314 18521 530 1 1 . 1 1 91 91 ILE H H 91 7.196 7.196 7.250 -0.054 18521 531 1 1 . 1 1 92 92 TYR N N 92 122.201 122.201 120.739 1.462 18521 532 1 1 . 1 1 92 92 TYR HA H 92 4.047 4.047 4.054 -0.007 18521 533 1 1 . 1 1 92 92 TYR C C 92 177.726 177.726 177.562 0.164 18521 534 1 1 . 1 1 92 92 TYR CA C 92 61.771 61.771 61.814 -0.043 18521 535 1 1 . 1 1 92 92 TYR CB C 92 39.295 39.295 38.416 0.879 18521 536 1 1 . 1 1 92 92 TYR H H 92 8.466 8.466 7.643 0.823 18521 537 1 1 . 1 1 93 93 MET N N 93 117.420 117.420 119.605 -2.185 18521 538 1 1 . 1 1 93 93 MET HA H 93 3.896 3.896 3.983 -0.087 18521 539 1 1 . 1 1 93 93 MET C C 93 180.221 180.221 177.827 2.394 18521 540 1 1 . 1 1 93 93 MET CA C 93 57.586 57.586 58.149 -0.563 18521 541 1 1 . 1 1 93 93 MET CB C 93 30.854 30.854 32.209 -1.355 18521 542 1 1 . 1 1 93 93 MET H H 93 8.269 8.269 8.644 -0.375 18521 543 1 1 . 1 1 94 94 LEU N N 94 125.183 125.183 120.743 4.440 18521 544 1 1 . 1 1 94 94 LEU HA H 94 3.826 3.826 3.905 -0.079 18521 545 1 1 . 1 1 94 94 LEU C C 94 177.787 177.787 178.282 -0.495 18521 546 1 1 . 1 1 94 94 LEU CA C 94 58.729 58.729 58.659 0.070 18521 547 1 1 . 1 1 94 94 LEU CB C 94 42.188 42.188 41.476 0.712 18521 548 1 1 . 1 1 94 94 LEU H H 94 8.733 8.733 8.270 0.463 18521 549 1 1 . 1 1 95 95 ASN N N 95 121.517 121.517 118.447 3.070 18521 550 1 1 . 1 1 95 95 ASN HA H 95 4.184 4.184 4.343 -0.159 18521 551 1 1 . 1 1 95 95 ASN C C 95 178.481 178.481 177.891 0.590 18521 552 1 1 . 1 1 95 95 ASN CA C 95 56.312 56.312 55.989 0.323 18521 553 1 1 . 1 1 95 95 ASN H H 95 8.951 8.951 8.294 0.657 18521 554 1 1 . 1 1 96 96 PHE N N 96 122.778 122.778 121.809 0.969 18521 555 1 1 . 1 1 96 96 PHE HA H 96 4.341 4.341 4.098 0.243 18521 556 1 1 . 1 1 96 96 PHE C C 96 177.925 177.925 176.682 1.243 18521 557 1 1 . 1 1 96 96 PHE CA C 96 62.427 62.427 62.171 0.256 18521 558 1 1 . 1 1 96 96 PHE H H 96 8.454 8.454 8.478 -0.024 18521 559 1 1 . 1 1 97 97 THR N N 97 117.115 117.115 116.589 0.526 18521 560 1 1 . 1 1 97 97 THR HA H 97 3.369 3.369 3.845 -0.476 18521 561 1 1 . 1 1 97 97 THR C C 97 176.185 176.185 176.846 -0.661 18521 562 1 1 . 1 1 97 97 THR CA C 97 68.090 68.090 67.053 1.037 18521 563 1 1 . 1 1 97 97 THR CB C 97 68.087 68.087 68.239 -0.152 18521 564 1 1 . 1 1 97 97 THR H H 97 8.209 8.209 8.668 -0.459 18521 565 1 1 . 1 1 98 98 MET N N 98 119.373 119.373 120.191 -0.818 18521 566 1 1 . 1 1 98 98 MET HA H 98 4.360 4.360 4.458 -0.098 18521 567 1 1 . 1 1 98 98 MET C C 98 177.887 177.887 178.399 -0.512 18521 568 1 1 . 1 1 98 98 MET CA C 98 58.143 58.143 57.772 0.371 18521 569 1 1 . 1 1 98 98 MET CB C 98 31.948 31.948 31.398 0.550 18521 570 1 1 . 1 1 98 98 MET H H 98 8.958 8.958 8.831 0.127 18521 571 1 1 . 1 1 99 99 SER N N 99 114.517 114.517 116.286 -1.769 18521 572 1 1 . 1 1 99 99 SER HA H 99 4.043 4.043 4.099 -0.056 18521 573 1 1 . 1 1 99 99 SER C C 99 176.195 176.195 176.811 -0.616 18521 574 1 1 . 1 1 99 99 SER CA C 99 62.481 62.481 61.612 0.869 18521 575 1 1 . 1 1 99 99 SER CB C 99 62.692 62.692 62.943 -0.251 18521 576 1 1 . 1 1 99 99 SER H H 99 7.708 7.708 7.977 -0.269 18521 577 1 1 . 1 1 100 100 LEU N N 100 125.126 125.126 123.000 2.126 18521 578 1 1 . 1 1 100 100 LEU HA H 100 3.913 3.913 3.982 -0.069 18521 579 1 1 . 1 1 100 100 LEU C C 100 177.327 177.327 178.009 -0.682 18521 580 1 1 . 1 1 100 100 LEU CA C 100 58.005 58.005 57.385 0.620 18521 581 1 1 . 1 1 100 100 LEU CB C 100 41.841 41.841 41.665 0.176 18521 582 1 1 . 1 1 100 100 LEU H H 100 7.277 7.277 7.639 -0.362 18521 583 1 1 . 1 1 101 101 TYR N N 101 120.940 120.940 119.685 1.255 18521 584 1 1 . 1 1 101 101 TYR HA H 101 4.143 4.143 4.190 -0.047 18521 585 1 1 . 1 1 101 101 TYR C C 101 176.784 176.784 177.361 -0.577 18521 586 1 1 . 1 1 101 101 TYR CA C 101 61.543 61.543 60.489 1.054 18521 587 1 1 . 1 1 101 101 TYR CB C 101 40.909 40.909 38.258 2.651 18521 588 1 1 . 1 1 101 101 TYR H H 101 8.858 8.858 8.812 0.046 18521 589 1 1 . 1 1 102 102 ASN N N 102 119.067 119.067 117.371 1.696 18521 590 1 1 . 1 1 102 102 ASN HA H 102 4.116 4.116 4.122 -0.006 18521 591 1 1 . 1 1 102 102 ASN C C 102 178.713 178.713 177.481 1.232 18521 592 1 1 . 1 1 102 102 ASN CA C 102 55.734 55.734 55.981 -0.247 18521 593 1 1 . 1 1 102 102 ASN H H 102 8.700 8.700 8.837 -0.137 18521 594 1 1 . 1 1 103 103 GLU N N 103 119.558 119.558 119.752 -0.194 18521 595 1 1 . 1 1 103 103 GLU HA H 103 3.944 3.944 3.916 0.028 18521 596 1 1 . 1 1 103 103 GLU C C 103 179.012 179.012 178.997 0.015 18521 597 1 1 . 1 1 103 103 GLU CA C 103 59.506 59.506 59.514 -0.008 18521 598 1 1 . 1 1 103 103 GLU CB C 103 29.349 29.349 29.509 -0.160 18521 599 1 1 . 1 1 103 103 GLU H H 103 7.599 7.599 7.985 -0.386 18521 600 1 1 . 1 1 104 104 LYS N N 104 120.218 120.218 118.802 1.416 18521 601 1 1 . 1 1 104 104 LYS HA H 104 4.051 4.051 4.044 0.007 18521 602 1 1 . 1 1 104 104 LYS C C 104 178.477 178.477 178.878 -0.401 18521 603 1 1 . 1 1 104 104 LYS CA C 104 56.534 56.534 58.490 -1.956 18521 604 1 1 . 1 1 104 104 LYS CB C 104 29.108 29.108 32.295 -3.187 18521 605 1 1 . 1 1 104 104 LYS H H 104 8.311 8.311 7.561 0.750 18521 606 1 1 . 1 1 105 105 LEU N N 105 122.110 122.110 119.810 2.300 18521 607 1 1 . 1 1 105 105 LEU HA H 105 3.774 3.774 3.895 -0.121 18521 608 1 1 . 1 1 105 105 LEU C C 105 180.224 180.224 178.741 1.483 18521 609 1 1 . 1 1 105 105 LEU CA C 105 58.148 58.148 57.473 0.675 18521 610 1 1 . 1 1 105 105 LEU CB C 105 42.394 42.394 41.250 1.144 18521 611 1 1 . 1 1 105 105 LEU H H 105 8.604 8.604 7.990 0.614 18521 612 1 1 . 1 1 106 106 LYS N N 106 119.031 119.031 118.927 0.104 18521 613 1 1 . 1 1 106 106 LYS HA H 106 4.035 4.035 3.742 0.293 18521 614 1 1 . 1 1 106 106 LYS C C 106 178.496 178.496 178.987 -0.491 18521 615 1 1 . 1 1 106 106 LYS CA C 106 59.820 59.820 59.526 0.293 18521 616 1 1 . 1 1 106 106 LYS CB C 106 31.956 31.956 32.191 -0.235 18521 617 1 1 . 1 1 106 106 LYS H H 106 7.339 7.339 7.847 -0.508 18521 618 1 1 . 1 1 107 107 GLN N N 107 121.417 121.417 117.147 4.270 18521 619 1 1 . 1 1 107 107 GLN HA H 107 3.744 3.744 3.839 -0.095 18521 620 1 1 . 1 1 107 107 GLN C C 107 178.103 178.103 178.757 -0.654 18521 621 1 1 . 1 1 107 107 GLN CA C 107 58.582 58.582 58.038 0.544 18521 622 1 1 . 1 1 107 107 GLN CB C 107 26.969 26.969 28.005 -1.036 18521 623 1 1 . 1 1 107 107 GLN H H 107 7.590 7.590 7.513 0.077 18521 624 1 1 . 1 1 108 108 LEU N N 108 120.629 120.629 118.957 1.672 18521 625 1 1 . 1 1 108 108 LEU HA H 108 3.806 3.806 4.492 -0.686 18521 626 1 1 . 1 1 108 108 LEU C C 108 178.978 178.978 178.478 0.500 18521 627 1 1 . 1 1 108 108 LEU CA C 108 58.306 58.306 57.306 1.000 18521 628 1 1 . 1 1 108 108 LEU CB C 108 42.112 42.112 41.845 0.267 18521 629 1 1 . 1 1 108 108 LEU H H 108 8.450 8.450 7.490 0.960 18521 630 1 1 . 1 1 109 109 LYS N N 109 119.584 119.584 117.649 1.935 18521 631 1 1 . 1 1 109 109 LYS HA H 109 4.166 4.166 4.091 0.075 18521 632 1 1 . 1 1 109 109 LYS C C 109 177.859 177.859 177.115 0.744 18521 633 1 1 . 1 1 109 109 LYS CA C 109 58.746 58.746 58.781 -0.035 18521 634 1 1 . 1 1 109 109 LYS CB C 109 32.637 32.637 32.739 -0.102 18521 635 1 1 . 1 1 109 109 LYS H H 109 7.295 7.295 7.844 -0.549 18521 636 1 1 . 1 1 110 110 ASP N N 110 116.950 116.950 113.136 3.814 18521 637 1 1 . 1 1 110 110 ASP HA H 110 4.604 4.604 5.009 -0.405 18521 638 1 1 . 1 1 110 110 ASP C C 110 177.157 177.157 174.994 2.163 18521 639 1 1 . 1 1 110 110 ASP CA C 110 55.768 55.768 54.336 1.433 18521 640 1 1 . 1 1 110 110 ASP CB C 110 42.724 42.724 43.479 -0.755 18521 641 1 1 . 1 1 110 110 ASP H H 110 7.807 7.807 7.642 0.165 18521 642 1 1 . 1 1 111 111 GLY N N 111 114.046 114.046 110.267 3.779 18521 643 1 1 . 1 1 111 111 GLY CA C 111 41.845 41.845 44.321 -2.476 18521 644 1 1 . 1 1 111 111 GLY H H 111 8.554 8.554 7.400 1.154 18521 645 1 1 . 1 1 112 112 PRO HA H 112 4.552 4.552 4.019 0.533 18521 646 1 1 . 1 1 112 112 PRO C C 112 174.967 174.967 175.785 -0.818 18521 647 1 1 . 1 1 112 112 PRO CA C 112 61.222 61.222 62.766 -1.544 18521 648 1 1 . 1 1 112 112 PRO CB C 112 35.056 35.056 32.186 2.870 18521 649 1 1 . 1 1 113 113 TRP N N 113 123.139 123.139 122.890 0.249 18521 650 1 1 . 1 1 113 113 TRP HA H 113 4.650 4.650 4.843 -0.193 18521 651 1 1 . 1 1 113 113 TRP C C 113 174.604 174.604 175.371 -0.767 18521 652 1 1 . 1 1 113 113 TRP CA C 113 58.154 58.154 56.707 1.447 18521 653 1 1 . 1 1 113 113 TRP CB C 113 27.048 27.048 31.156 -4.108 18521 654 1 1 . 1 1 113 113 TRP H H 113 8.671 8.671 8.560 0.111 18521 655 1 1 . 1 1 114 114 ASP N N 114 121.440 121.440 119.328 2.112 18521 656 1 1 . 1 1 114 114 ASP HA H 114 4.930 4.930 4.830 0.100 18521 657 1 1 . 1 1 114 114 ASP C C 114 176.979 176.979 176.124 0.855 18521 658 1 1 . 1 1 114 114 ASP CA C 114 52.223 52.223 52.760 -0.537 18521 659 1 1 . 1 1 114 114 ASP CB C 114 43.192 43.192 42.231 0.961 18521 660 1 1 . 1 1 114 114 ASP H H 114 6.950 6.950 8.147 -1.197 18521 661 1 1 . 1 1 115 115 VAL N N 115 118.386 118.386 119.774 -1.388 18521 662 1 1 . 1 1 115 115 VAL HA H 115 3.825 3.825 3.703 0.122 18521 663 1 1 . 1 1 115 115 VAL C C 115 177.760 177.760 177.955 -0.195 18521 664 1 1 . 1 1 115 115 VAL CA C 115 65.611 65.611 65.822 -0.211 18521 665 1 1 . 1 1 115 115 VAL CB C 115 31.657 31.657 32.144 -0.487 18521 666 1 1 . 1 1 115 115 VAL H H 115 8.181 8.181 8.304 -0.123 18521 667 1 1 . 1 1 116 116 MET N N 116 120.354 120.354 119.226 1.128 18521 668 1 1 . 1 1 116 116 MET HA H 116 4.284 4.284 4.159 0.125 18521 669 1 1 . 1 1 116 116 MET C C 116 179.336 179.336 178.133 1.203 18521 670 1 1 . 1 1 116 116 MET CA C 116 57.392 57.392 58.723 -1.331 18521 671 1 1 . 1 1 116 116 MET CB C 116 30.450 30.450 32.301 -1.851 18521 672 1 1 . 1 1 116 116 MET H H 116 7.661 7.661 7.966 -0.305 18521 673 1 1 . 1 1 117 117 LEU N N 117 125.774 125.774 119.826 5.948 18521 674 1 1 . 1 1 117 117 LEU HA H 117 4.129 4.129 4.090 0.039 18521 675 1 1 . 1 1 117 117 LEU C C 117 178.399 178.399 177.954 0.445 18521 676 1 1 . 1 1 117 117 LEU CA C 117 58.353 58.353 58.682 -0.329 18521 677 1 1 . 1 1 117 117 LEU CB C 117 40.392 40.392 41.525 -1.133 18521 678 1 1 . 1 1 117 117 LEU H H 117 8.179 8.179 8.905 -0.726 18521 679 1 1 . 1 1 118 118 LYS N N 118 118.471 118.471 118.834 -0.363 18521 680 1 1 . 1 1 118 118 LYS HA H 118 3.824 3.824 3.959 -0.135 18521 681 1 1 . 1 1 118 118 LYS C C 118 178.259 178.259 179.091 -0.832 18521 682 1 1 . 1 1 118 118 LYS CA C 118 60.497 60.497 60.022 0.475 18521 683 1 1 . 1 1 118 118 LYS CB C 118 32.355 32.355 32.305 0.050 18521 684 1 1 . 1 1 118 118 LYS H H 118 7.359 7.359 7.485 -0.126 18521 685 1 1 . 1 1 119 119 ARG N N 119 117.838 117.838 118.697 -0.859 18521 686 1 1 . 1 1 119 119 ARG HA H 119 4.158 4.158 4.291 -0.133 18521 687 1 1 . 1 1 119 119 ARG C C 119 180.132 180.132 179.198 0.934 18521 688 1 1 . 1 1 119 119 ARG CA C 119 59.535 59.535 59.415 0.120 18521 689 1 1 . 1 1 119 119 ARG CB C 119 29.994 29.994 30.316 -0.322 18521 690 1 1 . 1 1 119 119 ARG H H 119 8.316 8.316 8.012 0.304 18521 691 1 1 . 1 1 120 120 SER N N 120 117.258 117.258 116.799 0.459 18521 692 1 1 . 1 1 120 120 SER HA H 120 4.374 4.374 4.277 0.097 18521 693 1 1 . 1 1 120 120 SER C C 120 176.034 176.034 176.821 -0.787 18521 694 1 1 . 1 1 120 120 SER CA C 120 62.728 62.728 62.349 0.379 18521 695 1 1 . 1 1 120 120 SER CB C 120 63.050 63.050 62.891 0.159 18521 696 1 1 . 1 1 120 120 SER H H 120 8.598 8.598 8.177 0.421 18521 697 1 1 . 1 1 121 121 LEU N N 121 125.307 125.307 121.824 3.483 18521 698 1 1 . 1 1 121 121 LEU HA H 121 4.192 4.192 4.126 0.066 18521 699 1 1 . 1 1 121 121 LEU C C 121 179.621 179.621 178.543 1.078 18521 700 1 1 . 1 1 121 121 LEU CA C 121 58.894 58.894 58.130 0.764 18521 701 1 1 . 1 1 121 121 LEU CB C 121 41.188 41.188 41.477 -0.289 18521 702 1 1 . 1 1 121 121 LEU H H 121 8.250 8.250 8.018 0.232 18521 703 1 1 . 1 1 122 122 TRP N N 122 120.444 120.444 119.545 0.899 18521 704 1 1 . 1 1 122 122 TRP HA H 122 4.368 4.368 4.367 0.001 18521 705 1 1 . 1 1 122 122 TRP C C 122 176.943 176.943 178.695 -1.752 18521 706 1 1 . 1 1 122 122 TRP CA C 122 61.452 61.452 61.607 -0.155 18521 707 1 1 . 1 1 122 122 TRP CB C 122 29.823 29.823 29.140 0.683 18521 708 1 1 . 1 1 122 122 TRP H H 122 7.873 7.873 7.753 0.120 18521 709 1 1 . 1 1 123 123 CYS N N 123 120.188 120.188 119.331 0.857 18521 710 1 1 . 1 1 123 123 CYS HA H 123 4.264 4.264 4.260 0.004 18521 711 1 1 . 1 1 123 123 CYS C C 123 176.875 176.875 176.923 -0.048 18521 712 1 1 . 1 1 123 123 CYS CA C 123 60.573 60.573 62.834 -2.261 18521 713 1 1 . 1 1 123 123 CYS CB C 123 25.642 25.642 27.018 -1.376 18521 714 1 1 . 1 1 123 123 CYS H H 123 8.271 8.271 8.049 0.222 18521 715 1 1 . 1 1 124 124 CYS N N 124 116.760 116.760 119.598 -2.838 18521 716 1 1 . 1 1 124 124 CYS HA H 124 3.880 3.880 4.012 -0.132 18521 717 1 1 . 1 1 124 124 CYS C C 124 175.810 175.810 176.900 -1.090 18521 718 1 1 . 1 1 124 124 CYS CA C 124 65.646 65.646 64.550 1.095 18521 719 1 1 . 1 1 124 124 CYS CB C 124 28.069 28.069 27.774 0.295 18521 720 1 1 . 1 1 124 124 CYS H H 124 8.208 8.208 8.137 0.071 18521 721 1 1 . 1 1 125 125 ILE N N 125 121.167 121.167 121.191 -0.024 18521 722 1 1 . 1 1 125 125 ILE HA H 125 3.580 3.580 3.775 -0.195 18521 723 1 1 . 1 1 125 125 ILE C C 125 179.302 179.302 177.599 1.703 18521 724 1 1 . 1 1 125 125 ILE CA C 125 67.663 67.663 65.966 1.697 18521 725 1 1 . 1 1 125 125 ILE CB C 125 37.988 37.988 37.536 0.452 18521 726 1 1 . 1 1 125 125 ILE H H 125 8.073 8.073 8.463 -0.390 18521 727 1 1 . 1 1 126 126 ASP N N 126 124.812 124.812 120.355 4.457 18521 728 1 1 . 1 1 126 126 ASP HA H 126 4.622 4.622 4.543 0.079 18521 729 1 1 . 1 1 126 126 ASP C C 126 178.091 178.091 179.088 -0.997 18521 730 1 1 . 1 1 126 126 ASP CA C 126 58.885 58.885 57.340 1.545 18521 731 1 1 . 1 1 126 126 ASP CB C 126 40.408 40.408 40.371 0.037 18521 732 1 1 . 1 1 126 126 ASP H H 126 8.778 8.778 7.819 0.959 18521 733 1 1 . 1 1 127 127 LEU N N 127 122.531 122.531 119.932 2.599 18521 734 1 1 . 1 1 127 127 LEU HA H 127 3.841 3.841 3.846 -0.005 18521 735 1 1 . 1 1 127 127 LEU C C 127 179.582 179.582 178.948 0.634 18521 736 1 1 . 1 1 127 127 LEU CA C 127 58.632 58.632 57.846 0.786 18521 737 1 1 . 1 1 127 127 LEU CB C 127 42.680 42.680 41.587 1.093 18521 738 1 1 . 1 1 127 127 LEU H H 127 8.888 8.888 7.320 1.568 18521 739 1 1 . 1 1 128 128 ILE N N 128 121.311 121.311 118.981 2.330 18521 740 1 1 . 1 1 128 128 ILE HA H 128 3.938 3.938 3.701 0.237 18521 741 1 1 . 1 1 128 128 ILE C C 128 176.725 176.725 178.210 -1.485 18521 742 1 1 . 1 1 128 128 ILE CA C 128 60.922 60.922 64.942 -4.019 18521 743 1 1 . 1 1 128 128 ILE CB C 128 38.971 38.971 37.232 1.739 18521 744 1 1 . 1 1 128 128 ILE H H 128 7.469 7.469 7.814 -0.345 18521 745 1 1 . 1 1 129 129 ASN N N 129 122.727 122.727 118.147 4.580 18521 746 1 1 . 1 1 129 129 ASN HA H 129 4.582 4.582 4.387 0.195 18521 747 1 1 . 1 1 129 129 ASN C C 129 177.132 177.132 177.204 -0.072 18521 748 1 1 . 1 1 129 129 ASN CA C 129 52.982 52.982 56.598 -3.616 18521 749 1 1 . 1 1 129 129 ASN CB C 129 38.792 38.792 38.289 0.503 18521 750 1 1 . 1 1 129 129 ASN H H 129 8.173 8.173 8.452 -0.279 18521 751 1 1 . 1 1 130 130 ILE N N 130 120.527 120.527 121.590 -1.063 18521 752 1 1 . 1 1 130 130 ILE HA H 130 4.305 4.305 2.277 2.028 18521 753 1 1 . 1 1 130 130 ILE C C 130 175.796 175.796 177.192 -1.396 18521 754 1 1 . 1 1 130 130 ILE CA C 130 61.246 61.246 63.453 -2.207 18521 755 1 1 . 1 1 130 130 ILE CB C 130 38.797 38.797 37.575 1.222 18521 756 1 1 . 1 1 130 130 ILE H H 130 8.096 8.096 7.388 0.708 18521 757 1 1 . 1 1 131 131 ASP N N 131 122.165 122.165 122.027 0.138 18521 758 1 1 . 1 1 131 131 ASP HA H 131 4.416 4.416 4.013 0.403 18521 759 1 1 . 1 1 131 131 ASP C C 131 176.750 176.750 178.362 -1.612 18521 760 1 1 . 1 1 131 131 ASP CA C 131 55.955 55.955 57.901 -1.946 18521 761 1 1 . 1 1 131 131 ASP CB C 131 41.117 41.117 40.732 0.385 18521 762 1 1 . 1 1 131 131 ASP H H 131 8.157 8.157 7.788 0.369 18521 763 1 1 . 1 1 132 132 LYS N N 132 119.537 119.537 117.767 1.770 18521 764 1 1 . 1 1 132 132 LYS HA H 132 4.373 4.373 3.951 0.422 18521 765 1 1 . 1 1 132 132 LYS C C 132 176.405 176.405 178.062 -1.657 18521 766 1 1 . 1 1 132 132 LYS CA C 132 55.699 55.699 59.185 -3.486 18521 767 1 1 . 1 1 132 132 LYS CB C 132 32.822 32.822 32.173 0.649 18521 768 1 1 . 1 1 132 132 LYS H H 132 8.023 8.023 7.604 0.419 18521 769 1 1 . 1 1 133 133 LEU N N 133 120.242 120.242 119.727 0.515 18521 770 1 1 . 1 1 133 133 LEU HA H 133 4.158 4.158 4.260 -0.102 18521 771 1 1 . 1 1 133 133 LEU C C 133 178.449 178.449 179.625 -1.176 18521 772 1 1 . 1 1 133 133 LEU CA C 133 57.538 57.538 58.093 -0.555 18521 773 1 1 . 1 1 133 133 LEU CB C 133 41.572 41.572 42.697 -1.125 18521 774 1 1 . 1 1 133 133 LEU H H 133 8.024 8.024 7.543 0.481 18521 775 1 1 . 1 1 134 134 GLN N N 134 117.985 117.985 117.583 0.402 18521 776 1 1 . 1 1 134 134 GLN HA H 134 4.018 4.018 3.790 0.228 18521 777 1 1 . 1 1 134 134 GLN C C 134 179.500 179.500 176.846 2.654 18521 778 1 1 . 1 1 134 134 GLN CA C 134 58.175 58.175 57.866 0.309 18521 779 1 1 . 1 1 134 134 GLN CB C 134 29.102 29.102 28.175 0.927 18521 780 1 1 . 1 1 134 134 GLN H H 134 8.536 8.536 8.193 0.343 18521 781 1 1 . 1 1 135 135 TRP N N 135 115.550 115.550 115.756 -0.206 18521 782 1 1 . 1 1 135 135 TRP HA H 135 4.991 4.991 4.886 0.105 18521 783 1 1 . 1 1 135 135 TRP C C 135 175.170 175.170 175.250 -0.080 18521 784 1 1 . 1 1 135 135 TRP CA C 135 59.426 59.426 56.015 3.411 18521 785 1 1 . 1 1 135 135 TRP CB C 135 26.894 26.894 28.262 -1.368 18521 786 1 1 . 1 1 135 135 TRP H H 135 7.727 7.727 7.328 0.399 18521 787 1 1 . 1 1 136 136 LYS N N 136 119.841 119.841 120.306 -0.465 18521 788 1 1 . 1 1 136 136 LYS HA H 136 3.830 3.830 4.029 -0.199 18521 789 1 1 . 1 1 136 136 LYS C C 136 178.330 178.330 178.717 -0.387 18521 790 1 1 . 1 1 136 136 LYS CA C 136 60.194 60.194 60.260 -0.066 18521 791 1 1 . 1 1 136 136 LYS CB C 136 32.902 32.902 32.462 0.440 18521 792 1 1 . 1 1 136 136 LYS H H 136 6.580 6.580 7.853 -1.273 18521 793 1 1 . 1 1 137 137 GLU N N 137 115.250 115.250 116.090 -0.840 18521 794 1 1 . 1 1 137 137 GLU HA H 137 4.177 4.177 4.146 0.031 18521 795 1 1 . 1 1 137 137 GLU C C 137 176.698 176.698 177.086 -0.388 18521 796 1 1 . 1 1 137 137 GLU CA C 137 57.766 57.766 58.366 -0.600 18521 797 1 1 . 1 1 137 137 GLU CB C 137 29.221 29.221 29.341 -0.120 18521 798 1 1 . 1 1 137 137 GLU H H 137 8.549 8.549 8.745 -0.196 18521 799 1 1 . 1 1 138 138 ASN N N 138 116.578 116.578 115.630 0.948 18521 800 1 1 . 1 1 138 138 ASN HA H 138 4.943 4.943 4.739 0.204 18521 801 1 1 . 1 1 138 138 ASN C C 138 173.448 173.448 174.360 -0.912 18521 802 1 1 . 1 1 138 138 ASN CA C 138 52.681 52.681 53.452 -0.771 18521 803 1 1 . 1 1 138 138 ASN CB C 138 40.833 40.833 39.502 1.331 18521 804 1 1 . 1 1 138 138 ASN H H 138 8.337 8.337 7.659 0.678 18521 805 1 1 . 1 1 139 139 ILE N N 139 120.835 120.835 119.884 0.951 18521 806 1 1 . 1 1 139 139 ILE HA H 139 4.339 4.339 4.242 0.097 18521 807 1 1 . 1 1 139 139 ILE C C 139 175.219 175.219 174.880 0.339 18521 808 1 1 . 1 1 139 139 ILE CA C 139 60.867 60.867 60.349 0.518 18521 809 1 1 . 1 1 139 139 ILE CB C 139 40.270 40.270 39.917 0.353 18521 810 1 1 . 1 1 139 139 ILE H H 139 7.138 7.138 7.218 -0.080 18521 811 1 1 . 1 1 140 140 MET N N 140 123.319 123.319 121.669 1.650 18521 812 1 1 . 1 1 140 140 MET HA H 140 4.324 4.324 4.431 -0.107 18521 813 1 1 . 1 1 140 140 MET C C 140 177.931 177.931 177.093 0.838 18521 814 1 1 . 1 1 140 140 MET CA C 140 58.511 58.511 55.367 3.144 18521 815 1 1 . 1 1 140 140 MET CB C 140 65.156 65.156 64.395 0.761 18521 816 1 1 . 1 1 140 140 MET H H 140 8.714 8.714 8.365 0.349 18521 817 1 1 . 1 1 141 141 LEU N N 141 120.610 120.610 123.908 -3.298 18521 818 1 1 . 1 1 141 141 LEU HA H 141 4.047 4.047 3.998 0.049 18521 819 1 1 . 1 1 141 141 LEU C C 141 177.281 177.281 178.777 -1.496 18521 820 1 1 . 1 1 141 141 LEU CA C 141 58.362 58.362 58.553 -0.191 18521 821 1 1 . 1 1 141 141 LEU H H 141 8.333 8.333 8.879 -0.546 18521 822 1 1 . 1 1 142 142 ASP N N 142 121.268 121.268 120.312 0.956 18521 823 1 1 . 1 1 142 142 ASP HA H 142 4.415 4.415 4.397 0.018 18521 824 1 1 . 1 1 142 142 ASP C C 142 175.916 175.916 178.063 -2.147 18521 825 1 1 . 1 1 142 142 ASP CA C 142 54.678 54.678 58.689 -4.011 18521 826 1 1 . 1 1 142 142 ASP CB C 142 68.329 68.329 68.508 -0.179 18521 827 1 1 . 1 1 142 142 ASP H H 142 8.199 8.199 8.212 -0.013 18521 828 1 1 . 1 1 143 143 LEU N N 143 120.218 120.218 122.788 -2.570 18521 829 1 1 . 1 1 143 143 LEU HA H 143 4.108 4.108 4.026 0.082 18521 830 1 1 . 1 1 143 143 LEU C C 143 176.205 176.205 178.686 -2.481 18521 831 1 1 . 1 1 143 143 LEU CA C 143 57.314 57.314 58.534 -1.220 18521 832 1 1 . 1 1 143 143 LEU CB C 143 39.700 39.700 41.885 -2.185 18521 833 1 1 . 1 1 143 143 LEU H H 143 7.858 7.858 8.040 -0.182 18521 834 1 1 . 1 1 144 144 ILE N N 144 121.582 121.582 125.387 -3.805 18521 835 1 1 . 1 1 144 144 ILE HA H 144 4.083 4.083 3.714 0.369 18521 836 1 1 . 1 1 144 144 ILE C C 144 177.130 177.130 177.804 -0.674 18521 837 1 1 . 1 1 144 144 ILE CA C 144 60.697 60.697 66.403 -5.707 18521 838 1 1 . 1 1 144 144 ILE CB C 144 38.565 38.565 37.666 0.899 18521 839 1 1 . 1 1 144 144 ILE H H 144 7.948 7.948 8.102 -0.154 18521 840 1 1 . 1 1 145 145 GLU N N 145 120.974 120.974 121.365 -0.391 18521 841 1 1 . 1 1 145 145 GLU HA H 145 4.049 4.049 4.217 -0.168 18521 842 1 1 . 1 1 145 145 GLU C C 145 179.664 179.664 178.800 0.864 18521 843 1 1 . 1 1 145 145 GLU CA C 145 59.673 59.673 59.438 0.235 18521 844 1 1 . 1 1 145 145 GLU CB C 145 29.521 29.521 29.723 -0.202 18521 845 1 1 . 1 1 145 145 GLU H H 145 7.869 7.869 7.873 -0.004 18521 846 1 1 . 1 1 146 146 GLN N N 146 118.520 118.520 120.737 -2.217 18521 847 1 1 . 1 1 146 146 GLN HA H 146 4.034 4.034 4.015 0.019 18521 848 1 1 . 1 1 146 146 GLN C C 146 178.820 178.820 177.730 1.090 18521 849 1 1 . 1 1 146 146 GLN CA C 146 58.720 58.720 59.277 -0.557 18521 850 1 1 . 1 1 146 146 GLN CB C 146 29.312 29.312 28.405 0.907 18521 851 1 1 . 1 1 146 146 GLN H H 146 8.407 8.407 7.416 0.991 18521 852 1 1 . 1 1 147 147 GLY N N 147 108.998 108.998 109.620 -0.622 18521 853 1 1 . 1 1 147 147 GLY HA H 147 3.471 3.471 3.815 -0.344 18521 854 1 1 . 1 1 147 147 GLY C C 147 175.794 175.794 176.554 -0.760 18521 855 1 1 . 1 1 147 147 GLY CA C 147 47.525 47.525 48.171 -0.646 18521 856 1 1 . 1 1 147 147 GLY CB C 147 41.801 41.801 41.550 0.251 18521 857 1 1 . 1 1 147 147 GLY H H 147 8.059 8.059 7.539 0.520 18521 858 1 1 . 1 1 148 148 ASP N N 148 124.022 124.022 118.736 5.286 18521 859 1 1 . 1 1 148 148 ASP HA H 148 4.342 4.342 4.145 0.197 18521 860 1 1 . 1 1 148 148 ASP C C 148 175.607 175.607 178.536 -2.929 18521 861 1 1 . 1 1 148 148 ASP CA C 148 57.252 57.252 57.426 -0.174 18521 862 1 1 . 1 1 148 148 ASP CB C 148 39.918 39.918 40.391 -0.473 18521 863 1 1 . 1 1 148 148 ASP H H 148 8.522 8.522 8.550 -0.028 18521 864 1 1 . 1 1 149 149 GLU N N 149 121.333 121.333 119.942 1.391 18521 865 1 1 . 1 1 149 149 GLU HA H 149 4.008 4.008 3.955 0.053 18521 866 1 1 . 1 1 149 149 GLU C C 149 175.652 175.652 178.745 -3.093 18521 867 1 1 . 1 1 149 149 GLU CA C 149 59.394 59.394 59.618 -0.224 18521 868 1 1 . 1 1 149 149 GLU CB C 149 32.048 32.048 32.253 -0.205 18521 869 1 1 . 1 1 149 149 GLU H H 149 7.768 7.768 8.091 -0.323 18521 870 1 1 . 1 1 150 150 LEU N N 150 120.820 120.820 119.167 1.653 18521 871 1 1 . 1 1 150 150 LEU HA H 150 3.718 3.718 4.040 -0.322 18521 872 1 1 . 1 1 150 150 LEU C C 150 179.476 179.476 179.428 0.048 18521 873 1 1 . 1 1 150 150 LEU CA C 150 57.656 57.656 57.928 -0.272 18521 874 1 1 . 1 1 150 150 LEU CB C 150 28.936 28.936 29.688 -0.751 18521 875 1 1 . 1 1 150 150 LEU H H 150 8.113 8.113 7.276 0.837 18521 876 1 1 . 1 1 151 151 GLN N N 151 118.698 118.698 119.269 -0.571 18521 877 1 1 . 1 1 151 151 GLN HA H 151 3.990 3.990 3.694 0.296 18521 878 1 1 . 1 1 151 151 GLN C C 151 178.418 178.418 177.973 0.445 18521 879 1 1 . 1 1 151 151 GLN CA C 151 58.570 58.570 59.383 -0.813 18521 880 1 1 . 1 1 151 151 GLN CB C 151 38.409 38.409 37.514 0.895 18521 881 1 1 . 1 1 151 151 GLN H H 151 8.282 8.282 7.552 0.730 18521 882 1 1 . 1 1 152 152 GLU N N 152 120.750 120.750 120.050 0.700 18521 883 1 1 . 1 1 152 152 GLU HA H 152 4.035 4.035 3.963 0.072 18521 884 1 1 . 1 1 152 152 GLU C C 152 178.916 178.916 178.858 0.058 18521 885 1 1 . 1 1 152 152 GLU CA C 152 59.223 59.223 59.357 -0.134 18521 886 1 1 . 1 1 152 152 GLU CB C 152 29.322 29.322 29.194 0.128 18521 887 1 1 . 1 1 152 152 GLU H H 152 7.499 7.499 8.209 -0.710 18521 888 1 1 . 1 1 153 153 VAL N N 153 120.317 120.317 120.442 -0.125 18521 889 1 1 . 1 1 153 153 VAL HA H 153 3.695 3.695 3.794 -0.099 18521 890 1 1 . 1 1 153 153 VAL C C 153 178.846 178.846 178.149 0.697 18521 891 1 1 . 1 1 153 153 VAL CA C 153 65.832 65.832 66.549 -0.717 18521 892 1 1 . 1 1 153 153 VAL CB C 153 31.921 31.921 31.715 0.205 18521 893 1 1 . 1 1 153 153 VAL H H 153 7.763 7.763 8.418 -0.655 18521 894 1 1 . 1 1 154 154 LEU N N 154 121.374 121.374 119.385 1.989 18521 895 1 1 . 1 1 154 154 LEU HA H 154 3.917 3.917 3.856 0.062 18521 896 1 1 . 1 1 154 154 LEU C C 154 178.836 178.836 178.390 0.446 18521 897 1 1 . 1 1 154 154 LEU CA C 154 57.439 57.439 59.717 -2.278 18521 898 1 1 . 1 1 154 154 LEU CB C 154 41.797 41.797 41.851 -0.054 18521 899 1 1 . 1 1 154 154 LEU H H 154 7.731 7.731 7.945 -0.214 18521 900 1 1 . 1 1 155 155 ALA N N 155 121.695 121.695 123.874 -2.179 18521 901 1 1 . 1 1 155 155 ALA HA H 155 4.145 4.145 3.797 0.348 18521 902 1 1 . 1 1 155 155 ALA C C 155 179.502 179.502 179.736 -0.234 18521 903 1 1 . 1 1 155 155 ALA CA C 155 54.175 54.175 55.321 -1.146 18521 904 1 1 . 1 1 155 155 ALA CB C 155 18.499 18.499 18.657 -0.158 18521 905 1 1 . 1 1 155 155 ALA H H 155 7.896 7.896 7.709 0.187 18521 906 1 1 . 1 1 156 156 MET N N 156 117.652 117.652 118.794 -1.142 18521 907 1 1 . 1 1 156 156 MET HA H 156 4.228 4.228 3.908 0.320 18521 908 1 1 . 1 1 156 156 MET C C 156 177.366 177.366 178.189 -0.823 18521 909 1 1 . 1 1 156 156 MET CA C 156 57.306 57.306 59.302 -1.996 18521 910 1 1 . 1 1 156 156 MET CB C 156 32.373 32.373 32.542 -0.169 18521 911 1 1 . 1 1 156 156 MET H H 156 7.778 7.778 8.267 -0.489 18521 912 1 1 . 1 1 157 157 ASN N N 157 117.853 117.853 117.262 0.591 18521 913 1 1 . 1 1 157 157 ASN HA H 157 4.588 4.588 4.168 0.420 18521 914 1 1 . 1 1 157 157 ASN C C 157 175.211 175.211 177.717 -2.506 18521 915 1 1 . 1 1 157 157 ASN CA C 157 54.068 54.068 57.191 -3.123 18521 916 1 1 . 1 1 157 157 ASN CB C 157 39.125 39.125 38.256 0.869 18521 917 1 1 . 1 1 157 157 ASN H H 157 8.009 8.009 8.393 -0.384 18521 918 1 1 . 1 1 158 158 ASN N N 158 117.684 117.684 117.537 0.147 18521 919 1 1 . 1 1 158 158 ASN HA H 158 4.612 4.612 4.327 0.285 18521 920 1 1 . 1 1 158 158 ASN C C 158 174.669 174.669 177.236 -2.567 18521 921 1 1 . 1 1 158 158 ASN CA C 158 53.554 53.554 56.188 -2.634 18521 922 1 1 . 1 1 158 158 ASN CB C 158 39.343 39.343 37.953 1.390 18521 923 1 1 . 1 1 158 158 ASN H H 158 7.951 7.951 8.844 -0.893 18521 924 1 1 . 1 1 159 159 ASN N N 159 119.399 119.399 117.287 2.112 18521 925 1 1 . 1 1 159 159 ASN HA H 159 4.583 4.583 4.401 0.182 18521 926 1 1 . 1 1 159 159 ASN C C 159 175.563 175.563 177.708 -2.145 18521 927 1 1 . 1 1 159 159 ASN CA C 159 53.901 53.901 56.758 -2.857 18521 928 1 1 . 1 1 159 159 ASN CB C 159 38.425 38.425 38.061 0.364 18521 929 1 1 . 1 1 159 159 ASN H H 159 8.319 8.319 7.602 0.717 18521 930 1 1 . 1 1 160 160 SER N N 160 115.453 115.453 117.181 -1.728 18521 931 1 1 . 1 1 160 160 SER HA H 160 4.324 4.324 4.083 0.241 18521 932 1 1 . 1 1 160 160 SER C C 160 174.952 174.952 177.112 -2.160 18521 933 1 1 . 1 1 160 160 SER CA C 160 58.851 58.851 61.350 -2.499 18521 934 1 1 . 1 1 160 160 SER CB C 160 63.704 63.704 62.870 0.834 18521 935 1 1 . 1 1 160 160 SER H H 160 8.297 8.297 7.468 0.829 18521 936 1 1 . 1 1 161 161 GLY N N 161 110.851 110.851 106.875 3.976 18521 937 1 1 . 1 1 161 161 GLY HA H 161 4.146 4.146 4.075 0.071 18521 938 1 1 . 1 1 161 161 GLY C C 161 173.974 173.974 177.788 -3.814 18521 939 1 1 . 1 1 161 161 GLY CA C 161 45.348 45.348 48.226 -2.878 18521 940 1 1 . 1 1 161 161 GLY CB C 161 42.245 42.245 41.847 0.398 18521 941 1 1 . 1 1 161 161 GLY H H 161 8.328 8.328 8.388 -0.060 18521 942 1 1 . 1 1 162 162 GLU N N 162 120.859 120.859 118.846 2.013 18521 943 1 1 . 1 1 162 162 GLU HA H 162 4.211 4.211 4.229 -0.018 18521 944 1 1 . 1 1 162 162 GLU C C 162 177.522 177.522 177.695 -0.173 18521 945 1 1 . 1 1 162 162 GLU CA C 162 56.065 56.065 58.911 -2.846 18521 946 1 1 . 1 1 162 162 GLU CB C 162 29.852 29.852 29.173 0.679 18521 947 1 1 . 1 1 162 162 GLU H H 162 8.244 8.244 7.983 0.261 18521 948 1 1 . 1 1 163 163 LEU N N 163 124.226 124.226 117.978 6.248 18521 949 1 1 . 1 1 163 163 LEU HA H 163 3.889 3.889 4.329 -0.440 18521 950 1 1 . 1 1 163 163 LEU C C 163 178.043 178.043 176.851 1.192 18521 951 1 1 . 1 1 163 163 LEU CA C 163 57.163 57.163 54.660 2.503 18521 952 1 1 . 1 1 163 163 LEU CB C 163 41.840 41.840 42.112 -0.272 18521 953 1 1 . 1 1 163 163 LEU H H 163 8.337 8.337 7.849 0.488 18521 954 1 1 . 1 1 164 164 ASP N N 164 116.994 116.994 118.887 -1.893 18521 955 1 1 . 1 1 164 164 ASP HA H 164 4.327 4.327 4.256 0.071 18521 956 1 1 . 1 1 164 164 ASP C C 164 176.423 176.423 176.850 -0.427 18521 957 1 1 . 1 1 164 164 ASP CA C 164 55.427 55.427 54.806 0.621 18521 958 1 1 . 1 1 164 164 ASP H H 164 8.188 8.188 7.677 0.511 18521 959 1 1 . 1 1 165 165 ASP N N 165 118.967 118.967 119.407 -0.440 18521 960 1 1 . 1 1 165 165 ASP HA H 165 4.443 4.443 4.407 0.036 18521 961 1 1 . 1 1 165 165 ASP C C 165 175.654 175.654 176.209 -0.555 18521 962 1 1 . 1 1 165 165 ASP CA C 165 54.707 54.707 55.104 -0.397 18521 963 1 1 . 1 1 165 165 ASP CB C 165 40.973 40.973 41.341 -0.368 18521 964 1 1 . 1 1 165 165 ASP H H 165 7.701 7.701 7.991 -0.290 18521 965 1 1 . 1 1 166 166 ILE N N 166 122.002 122.002 119.411 2.591 18521 966 1 1 . 1 1 166 166 ILE HA H 166 4.049 4.049 4.002 0.047 18521 967 1 1 . 1 1 166 166 ILE C C 166 175.180 175.180 175.130 0.050 18521 968 1 1 . 1 1 166 166 ILE CA C 166 60.396 60.396 59.698 0.698 18521 969 1 1 . 1 1 166 166 ILE CB C 166 39.185 39.185 37.667 1.518 18521 970 1 1 . 1 1 166 166 ILE H H 166 7.388 7.388 7.181 0.207 18521 971 1 2 . 1 1 2 2 ALA N N 2 122.445 122.445 124.246 -1.801 18521 972 1 2 . 1 1 2 2 ALA HA H 2 4.045 4.045 4.040 0.005 18521 973 1 2 . 1 1 2 2 ALA C C 2 179.992 179.992 179.015 0.977 18521 974 1 2 . 1 1 2 2 ALA CA C 2 55.140 55.140 54.701 0.439 18521 975 1 2 . 1 1 2 2 ALA CB C 2 18.482 18.482 17.929 0.553 18521 976 1 2 . 1 1 2 2 ALA H H 2 8.545 8.545 8.542 0.003 18521 977 1 2 . 1 1 3 3 SER N N 3 115.544 115.544 113.731 1.813 18521 978 1 2 . 1 1 3 3 SER HA H 3 4.030 4.030 4.037 -0.007 18521 979 1 2 . 1 1 3 3 SER C C 3 176.584 176.584 176.351 0.233 18521 980 1 2 . 1 1 3 3 SER CA C 3 60.748 60.748 61.321 -0.573 18521 981 1 2 . 1 1 3 3 SER CB C 3 62.416 62.416 62.782 -0.366 18521 982 1 2 . 1 1 3 3 SER H H 3 8.009 8.009 8.489 -0.480 18521 983 1 2 . 1 1 4 4 ASN N N 4 123.103 123.103 119.839 3.264 18521 984 1 2 . 1 1 4 4 ASN HA H 4 4.318 4.318 4.467 -0.149 18521 985 1 2 . 1 1 4 4 ASN C C 4 176.215 176.215 176.885 -0.670 18521 986 1 2 . 1 1 4 4 ASN CA C 4 55.580 55.580 56.011 -0.431 18521 987 1 2 . 1 1 4 4 ASN CB C 4 38.154 38.154 38.326 -0.172 18521 988 1 2 . 1 1 4 4 ASN H H 4 7.965 7.965 7.747 0.218 18521 989 1 2 . 1 1 5 5 ALA N N 5 122.314 122.314 121.579 0.735 18521 990 1 2 . 1 1 5 5 ALA HA H 5 3.560 3.560 3.896 -0.336 18521 991 1 2 . 1 1 5 5 ALA C C 5 178.543 178.543 178.831 -0.288 18521 992 1 2 . 1 1 5 5 ALA CA C 5 55.774 55.774 55.327 0.447 18521 993 1 2 . 1 1 5 5 ALA CB C 5 17.638 17.638 18.089 -0.451 18521 994 1 2 . 1 1 5 5 ALA H H 5 8.721 8.721 7.572 1.149 18521 995 1 2 . 1 1 6 6 ALA N N 6 117.886 117.886 121.415 -3.529 18521 996 1 2 . 1 1 6 6 ALA HA H 6 3.784 3.784 3.922 -0.138 18521 997 1 2 . 1 1 6 6 ALA C C 6 180.378 180.378 179.318 1.060 18521 998 1 2 . 1 1 6 6 ALA CA C 6 55.240 55.240 54.934 0.306 18521 999 1 2 . 1 1 6 6 ALA CB C 6 17.890 17.890 18.035 -0.145 18521 1000 1 2 . 1 1 6 6 ALA H H 6 7.891 7.891 7.412 0.479 18521 1001 1 2 . 1 1 7 7 ARG N N 7 120.992 120.992 119.384 1.608 18521 1002 1 2 . 1 1 7 7 ARG HA H 7 3.770 3.770 4.023 -0.253 18521 1003 1 2 . 1 1 7 7 ARG C C 7 179.531 179.531 178.573 0.958 18521 1004 1 2 . 1 1 7 7 ARG CA C 7 59.249 59.249 59.450 -0.201 18521 1005 1 2 . 1 1 7 7 ARG CB C 7 29.546 29.546 30.363 -0.817 18521 1006 1 2 . 1 1 7 7 ARG H H 7 7.503 7.503 7.836 -0.333 18521 1007 1 2 . 1 1 8 8 VAL N N 8 123.707 123.707 119.596 4.111 18521 1008 1 2 . 1 1 8 8 VAL HA H 8 3.285 3.285 3.708 -0.423 18521 1009 1 2 . 1 1 8 8 VAL C C 8 177.740 177.740 178.111 -0.371 18521 1010 1 2 . 1 1 8 8 VAL CA C 8 67.839 67.839 67.335 0.504 18521 1011 1 2 . 1 1 8 8 VAL CB C 8 31.516 31.516 31.945 -0.429 18521 1012 1 2 . 1 1 8 8 VAL H H 8 8.176 8.176 7.944 0.232 18521 1013 1 2 . 1 1 9 9 VAL N N 9 119.893 119.893 120.235 -0.342 18521 1014 1 2 . 1 1 9 9 VAL HA H 9 3.286 3.286 3.495 -0.209 18521 1015 1 2 . 1 1 9 9 VAL C C 9 177.535 177.535 177.751 -0.216 18521 1016 1 2 . 1 1 9 9 VAL CA C 9 67.549 67.549 67.331 0.218 18521 1017 1 2 . 1 1 9 9 VAL CB C 9 31.683 31.683 31.488 0.195 18521 1018 1 2 . 1 1 9 9 VAL H H 9 8.329 8.329 7.684 0.645 18521 1019 1 2 . 1 1 10 10 ALA N N 10 122.541 122.541 121.555 0.986 18521 1020 1 2 . 1 1 10 10 ALA HA H 10 3.971 3.971 4.056 -0.085 18521 1021 1 2 . 1 1 10 10 ALA C C 10 177.093 177.093 179.605 -2.512 18521 1022 1 2 . 1 1 10 10 ALA CA C 10 55.448 55.448 55.497 -0.049 18521 1023 1 2 . 1 1 10 10 ALA CB C 10 17.791 17.791 18.302 -0.511 18521 1024 1 2 . 1 1 10 10 ALA H H 10 7.802 7.802 8.208 -0.406 18521 1025 1 2 . 1 1 11 11 THR N N 11 116.946 116.946 115.636 1.310 18521 1026 1 2 . 1 1 11 11 THR HA H 11 3.821 3.821 3.942 -0.121 18521 1027 1 2 . 1 1 11 11 THR C C 11 175.702 175.702 176.655 -0.953 18521 1028 1 2 . 1 1 11 11 THR CA C 11 66.531 66.531 67.503 -0.972 18521 1029 1 2 . 1 1 11 11 THR CB C 11 68.493 68.493 68.836 -0.343 18521 1030 1 2 . 1 1 11 11 THR H H 11 8.187 8.187 8.540 -0.353 18521 1031 1 2 . 1 1 12 12 ALA N N 12 125.357 125.357 123.969 1.388 18521 1032 1 2 . 1 1 12 12 ALA HA H 12 4.003 4.003 4.096 -0.093 18521 1033 1 2 . 1 1 12 12 ALA C C 12 179.401 179.401 179.273 0.128 18521 1034 1 2 . 1 1 12 12 ALA CA C 12 56.083 56.083 55.303 0.780 18521 1035 1 2 . 1 1 12 12 ALA CB C 12 18.855 18.855 18.254 0.601 18521 1036 1 2 . 1 1 12 12 ALA H H 12 8.641 8.641 8.455 0.186 18521 1037 1 2 . 1 1 13 13 LYS N N 13 117.246 117.246 117.245 0.001 18521 1038 1 2 . 1 1 13 13 LYS HA H 13 3.964 3.964 4.086 -0.122 18521 1039 1 2 . 1 1 13 13 LYS C C 13 180.132 180.132 178.373 1.759 18521 1040 1 2 . 1 1 13 13 LYS CA C 13 58.991 58.991 59.311 -0.320 18521 1041 1 2 . 1 1 13 13 LYS CB C 13 32.014 32.014 32.057 -0.043 18521 1042 1 2 . 1 1 13 13 LYS H H 13 7.961 7.961 7.749 0.212 18521 1043 1 2 . 1 1 14 14 ASP N N 14 122.162 122.162 119.845 2.317 18521 1044 1 2 . 1 1 14 14 ASP HA H 14 4.355 4.355 4.395 -0.040 18521 1045 1 2 . 1 1 14 14 ASP C C 14 179.394 179.394 178.341 1.053 18521 1046 1 2 . 1 1 14 14 ASP CA C 14 57.524 57.524 56.916 0.608 18521 1047 1 2 . 1 1 14 14 ASP CB C 14 39.984 39.984 40.370 -0.386 18521 1048 1 2 . 1 1 14 14 ASP H H 14 7.702 7.702 7.720 -0.018 18521 1049 1 2 . 1 1 15 15 PHE N N 15 119.552 119.552 118.080 1.472 18521 1050 1 2 . 1 1 15 15 PHE HA H 15 4.307 4.307 4.223 0.084 18521 1051 1 2 . 1 1 15 15 PHE C C 15 178.383 178.383 177.876 0.507 18521 1052 1 2 . 1 1 15 15 PHE CA C 15 62.313 62.313 61.573 0.740 18521 1053 1 2 . 1 1 15 15 PHE CB C 15 37.340 37.340 38.890 -1.550 18521 1054 1 2 . 1 1 15 15 PHE H H 15 7.970 7.970 7.512 0.458 18521 1055 1 2 . 1 1 16 16 ASP N N 16 121.464 121.464 119.618 1.846 18521 1056 1 2 . 1 1 16 16 ASP HA H 16 4.016 4.016 4.451 -0.435 18521 1057 1 2 . 1 1 16 16 ASP C C 16 179.923 179.923 179.252 0.671 18521 1058 1 2 . 1 1 16 16 ASP CA C 16 58.030 58.030 57.375 0.655 18521 1059 1 2 . 1 1 16 16 ASP CB C 16 41.407 41.407 40.174 1.233 18521 1060 1 2 . 1 1 16 16 ASP H H 16 8.259 8.259 7.899 0.360 18521 1061 1 2 . 1 1 17 17 LYS N N 17 118.806 118.806 120.452 -1.646 18521 1062 1 2 . 1 1 17 17 LYS HA H 17 4.047 4.047 4.129 -0.082 18521 1063 1 2 . 1 1 17 17 LYS C C 17 178.432 178.432 177.801 0.631 18521 1064 1 2 . 1 1 17 17 LYS CA C 17 59.018 59.018 59.029 -0.011 18521 1065 1 2 . 1 1 17 17 LYS CB C 17 32.592 32.592 32.692 -0.100 18521 1066 1 2 . 1 1 17 17 LYS H H 17 7.842 7.842 7.747 0.095 18521 1067 1 2 . 1 1 18 18 VAL N N 18 110.416 110.416 117.448 -7.032 18521 1068 1 2 . 1 1 18 18 VAL HA H 18 4.523 4.523 4.081 0.442 18521 1069 1 2 . 1 1 18 18 VAL C C 18 176.089 176.089 175.868 0.221 18521 1070 1 2 . 1 1 18 18 VAL CA C 18 60.797 60.797 62.690 -1.893 18521 1071 1 2 . 1 1 18 18 VAL CB C 18 31.194 31.194 31.856 -0.662 18521 1072 1 2 . 1 1 18 18 VAL H H 18 7.198 7.198 7.367 -0.169 18521 1073 1 2 . 1 1 19 19 GLY N N 19 109.008 109.008 108.092 0.916 18521 1074 1 2 . 1 1 19 19 GLY C C 19 175.070 175.070 174.644 0.426 18521 1075 1 2 . 1 1 19 19 GLY CA C 19 45.842 45.842 45.347 0.494 18521 1076 1 2 . 1 1 19 19 GLY H H 19 7.731 7.731 7.745 -0.014 18521 1077 1 2 . 1 1 20 20 LEU N N 20 125.244 125.244 123.103 2.141 18521 1078 1 2 . 1 1 20 20 LEU HA H 20 4.938 4.938 4.607 0.331 18521 1079 1 2 . 1 1 20 20 LEU C C 20 177.890 177.890 176.926 0.964 18521 1080 1 2 . 1 1 20 20 LEU CA C 20 52.674 52.674 53.185 -0.511 18521 1081 1 2 . 1 1 20 20 LEU CB C 20 40.239 40.239 39.993 0.246 18521 1082 1 2 . 1 1 20 20 LEU H H 20 8.102 8.102 8.423 -0.321 18521 1083 1 2 . 1 1 21 21 GLY N N 21 108.031 108.031 109.730 -1.699 18521 1084 1 2 . 1 1 21 21 GLY C C 21 176.174 176.174 175.893 0.281 18521 1085 1 2 . 1 1 21 21 GLY CA C 21 47.352 47.352 47.450 -0.098 18521 1086 1 2 . 1 1 21 21 GLY H H 21 8.046 8.046 8.001 0.045 18521 1087 1 2 . 1 1 22 22 ILE N N 22 121.173 121.173 122.005 -0.832 18521 1088 1 2 . 1 1 22 22 ILE HA H 22 3.944 3.944 3.727 0.217 18521 1089 1 2 . 1 1 22 22 ILE C C 22 176.119 176.119 177.655 -1.536 18521 1090 1 2 . 1 1 22 22 ILE CA C 22 61.179 61.179 64.750 -3.571 18521 1091 1 2 . 1 1 22 22 ILE CB C 22 35.934 35.934 37.878 -1.944 18521 1092 1 2 . 1 1 22 22 ILE H H 22 8.395 8.395 8.081 0.314 18521 1093 1 2 . 1 1 23 23 ILE N N 23 120.647 120.647 120.335 0.312 18521 1094 1 2 . 1 1 23 23 ILE HA H 23 3.713 3.713 3.785 -0.072 18521 1095 1 2 . 1 1 23 23 ILE C C 23 178.458 178.458 178.651 -0.193 18521 1096 1 2 . 1 1 23 23 ILE CA C 23 64.266 64.266 62.369 1.897 18521 1097 1 2 . 1 1 23 23 ILE CB C 23 36.272 36.272 36.160 0.112 18521 1098 1 2 . 1 1 23 23 ILE H H 23 6.824 6.824 7.343 -0.519 18521 1099 1 2 . 1 1 24 24 GLY N N 24 103.326 103.326 107.843 -4.517 18521 1100 1 2 . 1 1 24 24 GLY C C 24 174.914 174.914 175.669 -0.755 18521 1101 1 2 . 1 1 24 24 GLY CA C 24 47.998 47.998 47.104 0.894 18521 1102 1 2 . 1 1 24 24 GLY H H 24 7.412 7.412 7.892 -0.480 18521 1103 1 2 . 1 1 25 25 TYR N N 25 124.188 124.188 124.194 -0.006 18521 1104 1 2 . 1 1 25 25 TYR HA H 25 3.734 3.734 3.772 -0.038 18521 1105 1 2 . 1 1 25 25 TYR C C 25 176.055 176.055 177.253 -1.198 18521 1106 1 2 . 1 1 25 25 TYR CA C 25 60.962 60.962 60.673 0.289 18521 1107 1 2 . 1 1 25 25 TYR CB C 25 37.888 37.888 37.679 0.209 18521 1108 1 2 . 1 1 25 25 TYR H H 25 7.861 7.861 8.310 -0.449 18521 1109 1 2 . 1 1 26 26 TYR N N 26 117.390 117.390 117.333 0.057 18521 1110 1 2 . 1 1 26 26 TYR HA H 26 3.881 3.881 3.885 -0.004 18521 1111 1 2 . 1 1 26 26 TYR C C 26 178.653 178.653 177.963 0.690 18521 1112 1 2 . 1 1 26 26 TYR CA C 26 64.270 64.270 62.417 1.853 18521 1113 1 2 . 1 1 26 26 TYR CB C 26 37.453 37.453 38.171 -0.718 18521 1114 1 2 . 1 1 26 26 TYR H H 26 7.594 7.594 7.617 -0.023 18521 1115 1 2 . 1 1 27 27 LEU N N 27 118.536 118.536 119.924 -1.388 18521 1116 1 2 . 1 1 27 27 LEU HA H 27 4.277 4.277 3.829 0.448 18521 1117 1 2 . 1 1 27 27 LEU C C 27 179.025 179.025 179.101 -0.076 18521 1118 1 2 . 1 1 27 27 LEU CA C 27 58.382 58.382 57.998 0.384 18521 1119 1 2 . 1 1 27 27 LEU CB C 27 42.595 42.595 41.162 1.433 18521 1120 1 2 . 1 1 27 27 LEU H H 27 8.226 8.226 7.837 0.389 18521 1121 1 2 . 1 1 28 28 GLN N N 28 119.110 119.110 118.012 1.098 18521 1122 1 2 . 1 1 28 28 GLN HA H 28 3.665 3.665 3.825 -0.160 18521 1123 1 2 . 1 1 28 28 GLN C C 28 177.406 177.406 178.354 -0.948 18521 1124 1 2 . 1 1 28 28 GLN CA C 28 60.626 60.626 59.026 1.600 18521 1125 1 2 . 1 1 28 28 GLN CB C 28 28.959 28.959 28.523 0.436 18521 1126 1 2 . 1 1 28 28 GLN H H 28 8.007 8.007 8.298 -0.291 18521 1127 1 2 . 1 1 29 29 LEU N N 29 121.623 121.623 120.811 0.812 18521 1128 1 2 . 1 1 29 29 LEU HA H 29 3.718 3.718 3.843 -0.125 18521 1129 1 2 . 1 1 29 29 LEU C C 29 179.706 179.706 178.039 1.667 18521 1130 1 2 . 1 1 29 29 LEU CA C 29 58.382 58.382 57.486 0.896 18521 1131 1 2 . 1 1 29 29 LEU CB C 29 42.114 42.114 41.404 0.710 18521 1132 1 2 . 1 1 29 29 LEU H H 29 7.938 7.938 7.276 0.662 18521 1133 1 2 . 1 1 30 30 TYR N N 30 120.084 120.084 120.460 -0.376 18521 1134 1 2 . 1 1 30 30 TYR HA H 30 4.132 4.132 3.864 0.268 18521 1135 1 2 . 1 1 30 30 TYR C C 30 175.611 175.611 177.015 -1.404 18521 1136 1 2 . 1 1 30 30 TYR CA C 30 58.951 58.951 60.676 -1.725 18521 1137 1 2 . 1 1 30 30 TYR CB C 30 39.302 39.302 37.941 1.361 18521 1138 1 2 . 1 1 30 30 TYR H H 30 7.974 7.974 8.097 -0.123 18521 1139 1 2 . 1 1 31 31 ALA N N 31 121.802 121.802 121.200 0.602 18521 1140 1 2 . 1 1 31 31 ALA HA H 31 3.343 3.343 3.645 -0.302 18521 1141 1 2 . 1 1 31 31 ALA C C 31 178.911 178.911 179.264 -0.353 18521 1142 1 2 . 1 1 31 31 ALA CA C 31 55.429 55.429 54.934 0.495 18521 1143 1 2 . 1 1 31 31 ALA CB C 31 17.895 17.895 17.905 -0.010 18521 1144 1 2 . 1 1 31 31 ALA H H 31 8.504 8.504 8.217 0.287 18521 1145 1 2 . 1 1 32 32 VAL N N 32 116.528 116.528 118.957 -2.429 18521 1146 1 2 . 1 1 32 32 VAL HA H 32 3.249 3.249 3.444 -0.195 18521 1147 1 2 . 1 1 32 32 VAL C C 32 176.963 176.963 177.935 -0.972 18521 1148 1 2 . 1 1 32 32 VAL CA C 32 67.723 67.723 67.188 0.535 18521 1149 1 2 . 1 1 32 32 VAL CB C 32 31.403 31.403 31.335 0.068 18521 1150 1 2 . 1 1 32 32 VAL H H 32 8.027 8.027 7.848 0.179 18521 1151 1 2 . 1 1 33 33 GLU N N 33 118.609 118.609 119.154 -0.545 18521 1152 1 2 . 1 1 33 33 GLU HA H 33 3.804 3.804 4.009 -0.205 18521 1153 1 2 . 1 1 33 33 GLU C C 33 180.234 180.234 179.340 0.894 18521 1154 1 2 . 1 1 33 33 GLU CA C 33 59.446 59.446 59.089 0.357 18521 1155 1 2 . 1 1 33 33 GLU CB C 33 28.711 28.711 29.160 -0.449 18521 1156 1 2 . 1 1 33 33 GLU H H 33 7.299 7.299 7.528 -0.229 18521 1157 1 2 . 1 1 34 34 LEU N N 34 120.831 120.831 121.309 -0.478 18521 1158 1 2 . 1 1 34 34 LEU HA H 34 3.702 3.702 3.937 -0.235 18521 1159 1 2 . 1 1 34 34 LEU C C 34 180.024 180.024 179.818 0.206 18521 1160 1 2 . 1 1 34 34 LEU CA C 34 57.815 57.815 58.209 -0.394 18521 1161 1 2 . 1 1 34 34 LEU CB C 34 42.097 42.097 41.585 0.512 18521 1162 1 2 . 1 1 34 34 LEU H H 34 8.168 8.168 7.281 0.887 18521 1163 1 2 . 1 1 35 35 ILE N N 35 120.733 120.733 120.019 0.714 18521 1164 1 2 . 1 1 35 35 ILE HA H 35 3.589 3.589 3.638 -0.049 18521 1165 1 2 . 1 1 35 35 ILE C C 35 178.501 178.501 178.878 -0.377 18521 1166 1 2 . 1 1 35 35 ILE CA C 35 65.363 65.363 65.292 0.071 18521 1167 1 2 . 1 1 35 35 ILE CB C 35 38.960 38.960 37.990 0.970 18521 1168 1 2 . 1 1 35 35 ILE H H 35 8.064 8.064 7.538 0.526 18521 1169 1 2 . 1 1 36 36 LEU N N 36 115.519 115.519 119.100 -3.581 18521 1170 1 2 . 1 1 36 36 LEU HA H 36 3.958 3.958 4.003 -0.045 18521 1171 1 2 . 1 1 36 36 LEU C C 36 178.244 178.244 178.300 -0.056 18521 1172 1 2 . 1 1 36 36 LEU CA C 36 56.069 56.069 57.365 -1.296 18521 1173 1 2 . 1 1 36 36 LEU CB C 36 40.528 40.528 41.691 -1.163 18521 1174 1 2 . 1 1 36 36 LEU H H 36 8.370 8.370 7.862 0.508 18521 1175 1 2 . 1 1 37 37 SER N N 37 113.976 113.976 111.123 2.853 18521 1176 1 2 . 1 1 37 37 SER HA H 37 4.197 4.197 4.245 -0.048 18521 1177 1 2 . 1 1 37 37 SER C C 37 173.934 173.934 174.830 -0.896 18521 1178 1 2 . 1 1 37 37 SER CA C 37 60.204 60.204 59.691 0.513 18521 1179 1 2 . 1 1 37 37 SER CB C 37 63.507 63.507 63.509 -0.002 18521 1180 1 2 . 1 1 37 37 SER H H 37 7.523 7.523 8.136 -0.613 18521 1181 1 2 . 1 1 38 38 GLU N N 38 123.219 123.219 122.113 1.106 18521 1182 1 2 . 1 1 38 38 GLU HA H 38 4.426 4.426 4.379 0.047 18521 1183 1 2 . 1 1 38 38 GLU C C 38 175.767 175.767 175.898 -0.131 18521 1184 1 2 . 1 1 38 38 GLU CA C 38 55.046 55.046 55.699 -0.653 18521 1185 1 2 . 1 1 38 38 GLU CB C 38 30.395 30.395 30.496 -0.101 18521 1186 1 2 . 1 1 38 38 GLU H H 38 7.185 7.185 7.483 -0.298 18521 1187 1 2 . 1 1 39 39 GLU N N 39 126.955 126.955 124.764 2.191 18521 1188 1 2 . 1 1 39 39 GLU HA H 39 3.985 3.985 4.059 -0.074 18521 1189 1 2 . 1 1 39 39 GLU C C 39 176.861 176.861 175.924 0.937 18521 1190 1 2 . 1 1 39 39 GLU CA C 39 58.331 58.331 58.340 -0.009 18521 1191 1 2 . 1 1 39 39 GLU CB C 39 30.008 30.008 30.050 -0.043 18521 1192 1 2 . 1 1 39 39 GLU H H 39 8.632 8.632 8.612 0.020 18521 1193 1 2 . 1 1 40 40 ASP N N 40 119.763 119.763 119.544 0.219 18521 1194 1 2 . 1 1 40 40 ASP HA H 40 4.616 4.616 4.696 -0.080 18521 1195 1 2 . 1 1 40 40 ASP C C 40 174.989 174.989 175.564 -0.575 18521 1196 1 2 . 1 1 40 40 ASP CA C 40 53.281 53.281 53.875 -0.594 18521 1197 1 2 . 1 1 40 40 ASP CB C 40 39.814 39.814 40.718 -0.904 18521 1198 1 2 . 1 1 40 40 ASP H H 40 8.560 8.560 8.139 0.421 18521 1199 1 2 . 1 1 41 41 ARG N N 41 119.595 119.595 122.409 -2.814 18521 1200 1 2 . 1 1 41 41 ARG HA H 41 4.390 4.390 4.577 -0.187 18521 1201 1 2 . 1 1 41 41 ARG C C 41 175.553 175.553 175.866 -0.313 18521 1202 1 2 . 1 1 41 41 ARG CA C 41 54.707 54.707 55.143 -0.436 18521 1203 1 2 . 1 1 41 41 ARG CB C 41 31.865 31.865 32.870 -1.005 18521 1204 1 2 . 1 1 41 41 ARG H H 41 7.443 7.443 8.518 -1.075 18521 1205 1 2 . 1 1 42 42 SER N N 42 119.463 119.463 120.293 -0.830 18521 1206 1 2 . 1 1 42 42 SER HA H 42 4.381 4.381 4.643 -0.262 18521 1207 1 2 . 1 1 42 42 SER C C 42 175.361 175.361 175.219 0.142 18521 1208 1 2 . 1 1 42 42 SER CA C 42 57.137 57.137 57.325 -0.188 18521 1209 1 2 . 1 1 42 42 SER CB C 42 65.166 65.166 65.082 0.084 18521 1210 1 2 . 1 1 42 42 SER H H 42 8.556 8.556 8.690 -0.134 18521 1211 1 2 . 1 1 43 43 GLN N N 43 122.535 122.535 121.958 0.577 18521 1212 1 2 . 1 1 43 43 GLN HA H 43 4.018 4.018 3.978 0.040 18521 1213 1 2 . 1 1 43 43 GLN C C 43 178.768 178.768 178.259 0.509 18521 1214 1 2 . 1 1 43 43 GLN CA C 43 59.073 59.073 59.683 -0.610 18521 1215 1 2 . 1 1 43 43 GLN CB C 43 27.871 27.871 28.536 -0.665 18521 1216 1 2 . 1 1 43 43 GLN H H 43 9.087 9.087 8.960 0.127 18521 1217 1 2 . 1 1 44 44 GLU N N 44 120.308 120.308 119.702 0.606 18521 1218 1 2 . 1 1 44 44 GLU HA H 44 3.982 3.982 4.078 -0.096 18521 1219 1 2 . 1 1 44 44 GLU C C 44 179.737 179.737 179.075 0.662 18521 1220 1 2 . 1 1 44 44 GLU CA C 44 60.142 60.142 58.993 1.149 18521 1221 1 2 . 1 1 44 44 GLU CB C 44 28.801 28.801 29.315 -0.514 18521 1222 1 2 . 1 1 44 44 GLU H H 44 8.958 8.958 7.955 1.003 18521 1223 1 2 . 1 1 45 45 MET N N 45 120.968 120.968 118.254 2.714 18521 1224 1 2 . 1 1 45 45 MET HA H 45 4.432 4.432 4.358 0.074 18521 1225 1 2 . 1 1 45 45 MET C C 45 178.153 178.153 178.828 -0.675 18521 1226 1 2 . 1 1 45 45 MET CA C 45 57.117 57.117 56.606 0.511 18521 1227 1 2 . 1 1 45 45 MET CB C 45 32.517 32.517 31.720 0.797 18521 1228 1 2 . 1 1 45 45 MET H H 45 7.740 7.740 7.910 -0.170 18521 1229 1 2 . 1 1 46 46 THR N N 46 120.159 120.159 116.824 3.335 18521 1230 1 2 . 1 1 46 46 THR HA H 46 3.620 3.620 3.898 -0.278 18521 1231 1 2 . 1 1 46 46 THR C C 46 176.389 176.389 176.313 0.076 18521 1232 1 2 . 1 1 46 46 THR CA C 46 67.416 67.416 67.073 0.343 18521 1233 1 2 . 1 1 46 46 THR CB C 46 68.208 68.208 68.645 -0.437 18521 1234 1 2 . 1 1 46 46 THR H H 46 8.190 8.190 8.643 -0.453 18521 1235 1 2 . 1 1 47 47 ALA N N 47 124.729 124.729 123.591 1.138 18521 1236 1 2 . 1 1 47 47 ALA HA H 47 4.060 4.060 4.135 -0.075 18521 1237 1 2 . 1 1 47 47 ALA C C 47 179.554 179.554 179.065 0.489 18521 1238 1 2 . 1 1 47 47 ALA CA C 47 55.195 55.195 54.834 0.361 18521 1239 1 2 . 1 1 47 47 ALA CB C 47 17.654 17.654 18.416 -0.762 18521 1240 1 2 . 1 1 47 47 ALA H H 47 8.292 8.292 7.697 0.595 18521 1241 1 2 . 1 1 48 48 LEU N N 48 122.244 122.244 121.020 1.224 18521 1242 1 2 . 1 1 48 48 LEU HA H 48 4.195 4.195 4.072 0.123 18521 1243 1 2 . 1 1 48 48 LEU C C 48 178.022 178.022 178.470 -0.448 18521 1244 1 2 . 1 1 48 48 LEU CA C 48 57.695 57.695 57.434 0.261 18521 1245 1 2 . 1 1 48 48 LEU CB C 48 41.236 41.236 41.687 -0.451 18521 1246 1 2 . 1 1 48 48 LEU H H 48 7.723 7.723 7.681 0.042 18521 1247 1 2 . 1 1 49 49 ALA N N 49 120.883 120.883 120.594 0.289 18521 1248 1 2 . 1 1 49 49 ALA HA H 49 3.854 3.854 3.884 -0.030 18521 1249 1 2 . 1 1 49 49 ALA C C 49 178.770 178.770 179.421 -0.651 18521 1250 1 2 . 1 1 49 49 ALA CA C 49 55.836 55.836 55.233 0.604 18521 1251 1 2 . 1 1 49 49 ALA CB C 49 17.137 17.137 18.244 -1.107 18521 1252 1 2 . 1 1 49 49 ALA H H 49 8.210 8.210 8.327 -0.117 18521 1253 1 2 . 1 1 50 50 THR N N 50 113.676 113.676 115.022 -1.346 18521 1254 1 2 . 1 1 50 50 THR HA H 50 3.765 3.765 3.866 -0.101 18521 1255 1 2 . 1 1 50 50 THR C C 50 175.836 175.836 176.288 -0.452 18521 1256 1 2 . 1 1 50 50 THR CA C 50 66.975 66.975 67.690 -0.715 18521 1257 1 2 . 1 1 50 50 THR CB C 50 68.976 68.976 68.689 0.287 18521 1258 1 2 . 1 1 50 50 THR H H 50 7.891 7.891 7.546 0.345 18521 1259 1 2 . 1 1 51 51 GLU N N 51 123.445 123.445 122.451 0.994 18521 1260 1 2 . 1 1 51 51 GLU HA H 51 4.221 4.221 4.034 0.187 18521 1261 1 2 . 1 1 51 51 GLU C C 51 179.906 179.906 178.820 1.086 18521 1262 1 2 . 1 1 51 51 GLU CA C 51 59.436 59.436 59.254 0.182 18521 1263 1 2 . 1 1 51 51 GLU CB C 51 29.498 29.498 29.677 -0.179 18521 1264 1 2 . 1 1 51 51 GLU H H 51 7.877 7.877 7.720 0.157 18521 1265 1 2 . 1 1 52 52 LEU N N 52 121.629 121.629 119.349 2.280 18521 1266 1 2 . 1 1 52 52 LEU HA H 52 3.907 3.907 4.016 -0.109 18521 1267 1 2 . 1 1 52 52 LEU C C 52 178.993 178.993 179.108 -0.115 18521 1268 1 2 . 1 1 52 52 LEU CA C 52 57.840 57.840 57.666 0.174 18521 1269 1 2 . 1 1 52 52 LEU CB C 52 42.076 42.076 41.802 0.274 18521 1270 1 2 . 1 1 52 52 LEU H H 52 8.670 8.670 7.700 0.970 18521 1271 1 2 . 1 1 53 53 LEU N N 53 119.996 119.996 119.942 0.054 18521 1272 1 2 . 1 1 53 53 LEU HA H 53 3.949 3.949 3.792 0.157 18521 1273 1 2 . 1 1 53 53 LEU C C 53 179.950 179.950 179.030 0.920 18521 1274 1 2 . 1 1 53 53 LEU CA C 53 58.480 58.480 58.080 0.400 18521 1275 1 2 . 1 1 53 53 LEU CB C 53 41.341 41.341 41.031 0.310 18521 1276 1 2 . 1 1 53 53 LEU H H 53 8.336 8.336 7.541 0.795 18521 1277 1 2 . 1 1 54 54 ASP N N 54 120.632 120.632 119.505 1.127 18521 1278 1 2 . 1 1 54 54 ASP HA H 54 4.409 4.409 4.418 -0.009 18521 1279 1 2 . 1 1 54 54 ASP C C 54 179.383 179.383 179.149 0.234 18521 1280 1 2 . 1 1 54 54 ASP CA C 54 57.510 57.510 57.664 -0.154 18521 1281 1 2 . 1 1 54 54 ASP CB C 54 40.275 40.275 40.161 0.114 18521 1282 1 2 . 1 1 54 54 ASP H H 54 7.884 7.884 7.762 0.122 18521 1283 1 2 . 1 1 55 55 THR N N 55 121.006 121.006 117.783 3.223 18521 1284 1 2 . 1 1 55 55 THR HA H 55 3.923 3.923 4.061 -0.138 18521 1285 1 2 . 1 1 55 55 THR C C 55 177.066 177.066 176.881 0.185 18521 1286 1 2 . 1 1 55 55 THR CA C 55 67.018 67.018 67.271 -0.253 18521 1287 1 2 . 1 1 55 55 THR CB C 55 68.725 68.725 68.940 -0.215 18521 1288 1 2 . 1 1 55 55 THR H H 55 8.279 8.279 7.495 0.784 18521 1289 1 2 . 1 1 56 56 ILE N N 56 125.465 125.465 122.831 2.634 18521 1290 1 2 . 1 1 56 56 ILE HA H 56 3.748 3.748 3.861 -0.113 18521 1291 1 2 . 1 1 56 56 ILE C C 56 177.879 177.879 178.053 -0.174 18521 1292 1 2 . 1 1 56 56 ILE CA C 56 65.765 65.765 66.632 -0.867 18521 1293 1 2 . 1 1 56 56 ILE CB C 56 38.646 38.646 38.040 0.606 18521 1294 1 2 . 1 1 56 56 ILE H H 56 8.872 8.872 8.681 0.191 18521 1295 1 2 . 1 1 57 57 GLU N N 57 119.951 119.951 120.271 -0.320 18521 1296 1 2 . 1 1 57 57 GLU HA H 57 4.034 4.034 4.010 0.024 18521 1297 1 2 . 1 1 57 57 GLU C C 57 179.357 179.357 178.486 0.871 18521 1298 1 2 . 1 1 57 57 GLU CA C 57 59.241 59.241 59.498 -0.257 18521 1299 1 2 . 1 1 57 57 GLU CB C 57 29.226 29.226 29.263 -0.037 18521 1300 1 2 . 1 1 57 57 GLU H H 57 8.024 8.024 8.468 -0.444 18521 1301 1 2 . 1 1 58 58 ALA N N 58 122.402 122.402 122.270 0.132 18521 1302 1 2 . 1 1 58 58 ALA HA H 58 4.044 4.044 4.144 -0.100 18521 1303 1 2 . 1 1 58 58 ALA C C 58 180.049 180.049 179.692 0.357 18521 1304 1 2 . 1 1 58 58 ALA CA C 58 55.167 55.167 54.978 0.189 18521 1305 1 2 . 1 1 58 58 ALA CB C 58 17.836 17.836 18.232 -0.396 18521 1306 1 2 . 1 1 58 58 ALA H H 58 8.026 8.026 8.109 -0.083 18521 1307 1 2 . 1 1 59 59 PHE N N 59 122.034 122.034 119.925 2.109 18521 1308 1 2 . 1 1 59 59 PHE HA H 59 4.165 4.165 4.072 0.092 18521 1309 1 2 . 1 1 59 59 PHE C C 59 177.169 177.169 177.196 -0.027 18521 1310 1 2 . 1 1 59 59 PHE CA C 59 61.373 61.373 61.703 -0.330 18521 1311 1 2 . 1 1 59 59 PHE CB C 59 39.384 39.384 39.511 -0.127 18521 1312 1 2 . 1 1 59 59 PHE H H 59 8.243 8.243 8.866 -0.623 18521 1313 1 2 . 1 1 60 60 LYS N N 60 117.415 117.415 119.624 -2.209 18521 1314 1 2 . 1 1 60 60 LYS HA H 60 3.490 3.490 3.696 -0.206 18521 1315 1 2 . 1 1 60 60 LYS C C 60 179.705 179.705 178.475 1.230 18521 1316 1 2 . 1 1 60 60 LYS CA C 60 60.051 60.051 59.521 0.530 18521 1317 1 2 . 1 1 60 60 LYS CB C 60 32.376 32.376 32.501 -0.125 18521 1318 1 2 . 1 1 60 60 LYS H H 60 7.978 7.978 8.733 -0.755 18521 1319 1 2 . 1 1 61 61 LYS N N 61 119.540 119.540 118.459 1.081 18521 1320 1 2 . 1 1 61 61 LYS HA H 61 3.942 3.942 3.972 -0.030 18521 1321 1 2 . 1 1 61 61 LYS C C 61 178.728 178.728 178.852 -0.124 18521 1322 1 2 . 1 1 61 61 LYS CA C 61 58.878 58.878 59.446 -0.568 18521 1323 1 2 . 1 1 61 61 LYS CB C 61 32.626 32.626 32.306 0.320 18521 1324 1 2 . 1 1 61 61 LYS H H 61 7.853 7.853 8.127 -0.274 18521 1325 1 2 . 1 1 62 62 GLU N N 62 121.166 121.166 117.079 4.087 18521 1326 1 2 . 1 1 62 62 GLU HA H 62 3.933 3.933 4.052 -0.119 18521 1327 1 2 . 1 1 62 62 GLU C C 62 178.405 178.405 177.324 1.081 18521 1328 1 2 . 1 1 62 62 GLU CA C 62 58.655 58.655 58.439 0.216 18521 1329 1 2 . 1 1 62 62 GLU CB C 62 29.439 29.439 29.494 -0.055 18521 1330 1 2 . 1 1 62 62 GLU H H 62 7.956 7.956 7.896 0.060 18521 1331 1 2 . 1 1 63 63 ILE N N 63 117.896 117.896 116.419 1.477 18521 1332 1 2 . 1 1 63 63 ILE HA H 63 3.707 3.707 4.106 -0.399 18521 1333 1 2 . 1 1 63 63 ILE C C 63 177.438 177.438 176.699 0.739 18521 1334 1 2 . 1 1 63 63 ILE CA C 63 61.473 61.473 60.306 1.167 18521 1335 1 2 . 1 1 63 63 ILE CB C 63 36.546 36.546 38.835 -2.289 18521 1336 1 2 . 1 1 63 63 ILE H H 63 7.652 7.652 7.301 0.351 18521 1337 1 2 . 1 1 64 64 GLY N N 64 108.028 108.028 109.249 -1.221 18521 1338 1 2 . 1 1 64 64 GLY C C 64 175.261 175.261 175.215 0.046 18521 1339 1 2 . 1 1 64 64 GLY CA C 64 45.891 45.891 46.643 -0.752 18521 1340 1 2 . 1 1 64 64 GLY H H 64 7.654 7.654 8.175 -0.521 18521 1341 1 2 . 1 1 65 65 GLY N N 65 108.488 108.488 107.583 0.905 18521 1342 1 2 . 1 1 65 65 GLY C C 65 174.844 174.844 175.285 -0.441 18521 1343 1 2 . 1 1 65 65 GLY CA C 65 45.608 45.608 45.177 0.431 18521 1344 1 2 . 1 1 65 65 GLY H H 65 7.817 7.817 8.228 -0.411 18521 1345 1 2 . 1 1 66 66 GLU N N 66 121.078 121.078 118.916 2.162 18521 1346 1 2 . 1 1 66 66 GLU HA H 66 4.167 4.167 4.092 0.075 18521 1347 1 2 . 1 1 66 66 GLU C C 66 177.218 177.218 176.980 0.238 18521 1348 1 2 . 1 1 66 66 GLU CA C 66 57.075 57.075 58.778 -1.703 18521 1349 1 2 . 1 1 66 66 GLU CB C 66 30.015 30.015 29.841 0.174 18521 1350 1 2 . 1 1 66 66 GLU H H 66 8.195 8.195 8.696 -0.501 18521 1351 1 2 . 1 1 67 67 SER N N 67 116.370 116.370 110.695 5.675 18521 1352 1 2 . 1 1 67 67 SER HA H 67 4.187 4.187 4.467 -0.280 18521 1353 1 2 . 1 1 67 67 SER C C 67 174.670 174.670 175.266 -0.596 18521 1354 1 2 . 1 1 67 67 SER CA C 67 58.875 58.875 60.258 -1.383 18521 1355 1 2 . 1 1 67 67 SER CB C 67 63.783 63.783 63.770 0.013 18521 1356 1 2 . 1 1 67 67 SER H H 67 8.205 8.205 8.219 -0.014 18521 1357 1 2 . 1 1 68 68 GLU N N 68 122.388 122.388 122.265 0.123 18521 1358 1 2 . 1 1 68 68 GLU HA H 68 4.173 4.173 4.096 0.077 18521 1359 1 2 . 1 1 68 68 GLU C C 68 176.364 176.364 178.052 -1.688 18521 1360 1 2 . 1 1 68 68 GLU CA C 68 56.734 56.734 59.021 -2.287 18521 1361 1 2 . 1 1 68 68 GLU CB C 68 29.986 29.986 29.382 0.604 18521 1362 1 2 . 1 1 68 68 GLU H H 68 8.170 8.170 8.767 -0.597 18521 1363 1 2 . 1 1 69 69 ALA N N 69 124.265 124.265 120.475 3.790 18521 1364 1 2 . 1 1 69 69 ALA HA H 69 4.212 4.212 4.360 -0.148 18521 1365 1 2 . 1 1 69 69 ALA C C 69 178.042 178.042 178.593 -0.551 18521 1366 1 2 . 1 1 69 69 ALA CA C 69 52.468 52.468 54.603 -2.135 18521 1367 1 2 . 1 1 69 69 ALA CB C 69 19.411 19.411 18.258 1.153 18521 1368 1 2 . 1 1 69 69 ALA H H 69 7.931 7.931 8.035 -0.104 18521 1369 1 2 . 1 1 70 70 GLU N N 70 121.086 121.086 117.298 3.788 18521 1370 1 2 . 1 1 70 70 GLU HA H 70 4.110 4.110 4.027 0.083 18521 1371 1 2 . 1 1 70 70 GLU C C 70 180.047 180.047 178.014 2.033 18521 1372 1 2 . 1 1 70 70 GLU CA C 70 57.325 57.325 58.509 -1.184 18521 1373 1 2 . 1 1 70 70 GLU CB C 70 29.969 29.969 29.386 0.583 18521 1374 1 2 . 1 1 70 70 GLU H H 70 8.447 8.447 7.729 0.718 18521 1375 1 2 . 1 1 71 71 ASP N N 71 120.210 120.210 118.070 2.140 18521 1376 1 2 . 1 1 71 71 ASP HA H 71 4.545 4.545 4.519 0.026 18521 1377 1 2 . 1 1 71 71 ASP C C 71 176.385 176.385 176.833 -0.448 18521 1378 1 2 . 1 1 71 71 ASP CA C 71 54.149 54.149 56.286 -2.138 18521 1379 1 2 . 1 1 71 71 ASP CB C 71 40.756 40.756 41.284 -0.528 18521 1380 1 2 . 1 1 71 71 ASP H H 71 8.308 8.308 7.586 0.722 18521 1381 1 2 . 1 1 72 72 SER N N 72 116.137 116.137 113.340 2.797 18521 1382 1 2 . 1 1 72 72 SER HA H 72 4.259 4.259 4.654 -0.395 18521 1383 1 2 . 1 1 72 72 SER C C 72 174.578 174.578 173.346 1.232 18521 1384 1 2 . 1 1 72 72 SER CA C 72 58.851 58.851 57.795 1.056 18521 1385 1 2 . 1 1 72 72 SER CB C 72 63.870 63.870 64.251 -0.381 18521 1386 1 2 . 1 1 72 72 SER H H 72 7.954 7.954 7.771 0.183 18521 1387 1 2 . 1 1 73 73 ASP N N 73 122.500 122.500 123.549 -1.049 18521 1388 1 2 . 1 1 73 73 ASP HA H 73 4.534 4.534 4.663 -0.129 18521 1389 1 2 . 1 1 73 73 ASP C C 73 176.903 176.903 176.180 0.723 18521 1390 1 2 . 1 1 73 73 ASP CA C 73 54.442 54.442 54.497 -0.055 18521 1391 1 2 . 1 1 73 73 ASP CB C 73 41.253 41.253 40.577 0.676 18521 1392 1 2 . 1 1 73 73 ASP H H 73 8.384 8.384 8.792 -0.408 18521 1393 1 2 . 1 1 74 74 LYS N N 74 123.374 123.374 121.001 2.373 18521 1394 1 2 . 1 1 74 74 LYS HA H 74 4.099 4.099 4.323 -0.224 18521 1395 1 2 . 1 1 74 74 LYS C C 74 177.606 177.606 178.402 -0.796 18521 1396 1 2 . 1 1 74 74 LYS CA C 74 57.527 57.527 58.476 -0.949 18521 1397 1 2 . 1 1 74 74 LYS CB C 74 32.115 32.115 32.469 -0.354 18521 1398 1 2 . 1 1 74 74 LYS H H 74 8.338 8.338 7.842 0.496 18521 1399 1 2 . 1 1 75 75 SER N N 75 116.404 116.404 115.665 0.739 18521 1400 1 2 . 1 1 75 75 SER HA H 75 4.190 4.190 4.296 -0.106 18521 1401 1 2 . 1 1 75 75 SER C C 75 176.030 176.030 176.118 -0.088 18521 1402 1 2 . 1 1 75 75 SER CA C 75 60.560 60.560 61.313 -0.753 18521 1403 1 2 . 1 1 75 75 SER CB C 75 62.971 62.971 62.543 0.428 18521 1404 1 2 . 1 1 75 75 SER H H 75 8.409 8.409 8.232 0.177 18521 1405 1 2 . 1 1 76 76 LEU N N 76 123.753 123.753 123.154 0.599 18521 1406 1 2 . 1 1 76 76 LEU HA H 76 4.121 4.121 4.018 0.103 18521 1407 1 2 . 1 1 76 76 LEU C C 76 178.263 178.263 177.947 0.316 18521 1408 1 2 . 1 1 76 76 LEU CA C 76 56.665 56.665 57.399 -0.734 18521 1409 1 2 . 1 1 76 76 LEU CB C 76 41.538 41.538 41.647 -0.109 18521 1410 1 2 . 1 1 76 76 LEU H H 76 8.068 8.068 7.714 0.354 18521 1411 1 2 . 1 1 77 77 HIS N N 77 120.235 120.235 117.767 2.468 18521 1412 1 2 . 1 1 77 77 HIS HA H 77 4.372 4.372 4.145 0.227 18521 1413 1 2 . 1 1 77 77 HIS C C 77 177.974 177.974 177.030 0.944 18521 1414 1 2 . 1 1 77 77 HIS CA C 77 58.504 58.504 59.877 -1.373 18521 1415 1 2 . 1 1 77 77 HIS CB C 77 30.124 30.124 29.466 0.658 18521 1416 1 2 . 1 1 77 77 HIS H H 77 7.955 7.955 8.201 -0.246 18521 1417 1 2 . 1 1 78 78 VAL N N 78 121.721 121.721 120.379 1.342 18521 1418 1 2 . 1 1 78 78 VAL HA H 78 3.612 3.612 3.663 -0.051 18521 1419 1 2 . 1 1 78 78 VAL C C 78 177.688 177.688 177.813 -0.125 18521 1420 1 2 . 1 1 78 78 VAL CA C 78 65.817 65.817 65.869 -0.052 18521 1421 1 2 . 1 1 78 78 VAL CB C 78 31.729 31.729 31.432 0.297 18521 1422 1 2 . 1 1 78 78 VAL H H 78 7.953 7.953 7.457 0.496 18521 1423 1 2 . 1 1 79 79 MET N N 79 119.138 119.138 119.253 -0.115 18521 1424 1 2 . 1 1 79 79 MET HA H 79 3.879 3.879 3.941 -0.062 18521 1425 1 2 . 1 1 79 79 MET C C 79 180.609 180.609 178.055 2.554 18521 1426 1 2 . 1 1 79 79 MET CA C 79 59.210 59.210 59.359 -0.149 18521 1427 1 2 . 1 1 79 79 MET CB C 79 34.157 34.157 32.250 1.907 18521 1428 1 2 . 1 1 79 79 MET H H 79 8.132 8.132 8.224 -0.092 18521 1429 1 2 . 1 1 80 80 ASN N N 80 117.000 117.000 117.034 -0.034 18521 1430 1 2 . 1 1 80 80 ASN HA H 80 4.161 4.161 4.558 -0.397 18521 1431 1 2 . 1 1 80 80 ASN C C 80 178.212 178.212 177.578 0.634 18521 1432 1 2 . 1 1 80 80 ASN CA C 80 56.827 56.827 56.069 0.758 18521 1433 1 2 . 1 1 80 80 ASN CB C 80 38.920 38.920 37.449 1.471 18521 1434 1 2 . 1 1 80 80 ASN H H 80 8.195 8.195 8.548 -0.353 18521 1435 1 2 . 1 1 81 81 THR N N 81 116.021 116.021 117.264 -1.243 18521 1436 1 2 . 1 1 81 81 THR HA H 81 3.975 3.975 4.046 -0.071 18521 1437 1 2 . 1 1 81 81 THR C C 81 175.237 175.237 176.365 -1.128 18521 1438 1 2 . 1 1 81 81 THR CA C 81 66.507 66.507 66.355 0.152 18521 1439 1 2 . 1 1 81 81 THR CB C 81 68.813 68.813 68.330 0.483 18521 1440 1 2 . 1 1 81 81 THR H H 81 7.952 7.952 7.821 0.131 18521 1441 1 2 . 1 1 82 82 LEU N N 82 119.041 119.041 120.365 -1.324 18521 1442 1 2 . 1 1 82 82 LEU HA H 82 4.040 4.040 4.098 -0.058 18521 1443 1 2 . 1 1 82 82 LEU C C 82 177.541 177.541 178.611 -1.070 18521 1444 1 2 . 1 1 82 82 LEU CA C 82 56.468 56.468 57.706 -1.238 18521 1445 1 2 . 1 1 82 82 LEU CB C 82 42.247 42.247 41.765 0.482 18521 1446 1 2 . 1 1 82 82 LEU H H 82 7.655 7.655 7.501 0.154 18521 1447 1 2 . 1 1 83 83 ILE N N 83 118.063 118.063 115.033 3.030 18521 1448 1 2 . 1 1 83 83 ILE HA H 83 3.805 3.805 4.009 -0.204 18521 1449 1 2 . 1 1 83 83 ILE C C 83 176.681 176.681 177.359 -0.678 18521 1450 1 2 . 1 1 83 83 ILE CA C 83 63.188 63.188 63.627 -0.439 18521 1451 1 2 . 1 1 83 83 ILE CB C 83 37.939 37.939 38.538 -0.599 18521 1452 1 2 . 1 1 83 83 ILE H H 83 7.455 7.455 7.179 0.276 18521 1453 1 2 . 1 1 84 84 HIS N N 84 116.118 116.118 115.298 0.820 18521 1454 1 2 . 1 1 84 84 HIS HA H 84 4.568 4.568 4.505 0.063 18521 1455 1 2 . 1 1 84 84 HIS C C 84 175.568 175.568 175.609 -0.041 18521 1456 1 2 . 1 1 84 84 HIS CA C 84 58.425 58.425 58.627 -0.202 18521 1457 1 2 . 1 1 84 84 HIS CB C 84 31.801 31.801 31.004 0.797 18521 1458 1 2 . 1 1 84 84 HIS H H 84 7.168 7.168 8.596 -1.428 18521 1459 1 2 . 1 1 85 85 ASP N N 85 122.411 122.411 119.971 2.440 18521 1460 1 2 . 1 1 85 85 ASP HA H 85 4.546 4.546 4.728 -0.182 18521 1461 1 2 . 1 1 85 85 ASP C C 85 175.527 175.527 176.864 -1.337 18521 1462 1 2 . 1 1 85 85 ASP CA C 85 53.215 53.215 53.437 -0.222 18521 1463 1 2 . 1 1 85 85 ASP CB C 85 40.936 40.936 40.708 0.228 18521 1464 1 2 . 1 1 85 85 ASP H H 85 8.576 8.576 8.017 0.559 18521 1465 1 2 . 1 1 86 86 GLN N N 86 122.561 122.561 126.763 -4.202 18521 1466 1 2 . 1 1 86 86 GLN HA H 86 4.077 4.077 4.297 -0.220 18521 1467 1 2 . 1 1 86 86 GLN C C 86 178.518 178.518 178.285 0.233 18521 1468 1 2 . 1 1 86 86 GLN CA C 86 57.816 57.816 58.705 -0.889 18521 1469 1 2 . 1 1 86 86 GLN CB C 86 29.165 29.165 28.837 0.328 18521 1470 1 2 . 1 1 86 86 GLN H H 86 8.715 8.715 8.460 0.255 18521 1471 1 2 . 1 1 87 87 GLU N N 87 121.616 121.616 120.369 1.247 18521 1472 1 2 . 1 1 87 87 GLU HA H 87 4.042 4.042 3.745 0.297 18521 1473 1 2 . 1 1 87 87 GLU C C 87 178.154 178.154 178.239 -0.085 18521 1474 1 2 . 1 1 87 87 GLU CA C 87 59.051 59.051 59.674 -0.623 18521 1475 1 2 . 1 1 87 87 GLU CB C 87 29.231 29.231 29.017 0.214 18521 1476 1 2 . 1 1 87 87 GLU H H 87 8.073 8.073 7.900 0.173 18521 1477 1 2 . 1 1 88 88 LYS N N 88 119.006 119.006 119.329 -0.323 18521 1478 1 2 . 1 1 88 88 LYS HA H 88 3.754 3.754 4.048 -0.294 18521 1479 1 2 . 1 1 88 88 LYS C C 88 177.129 177.129 178.599 -1.470 18521 1480 1 2 . 1 1 88 88 LYS CA C 88 59.721 59.721 59.164 0.557 18521 1481 1 2 . 1 1 88 88 LYS CB C 88 32.253 32.253 32.230 0.023 18521 1482 1 2 . 1 1 88 88 LYS H H 88 7.525 7.525 8.358 -0.833 18521 1483 1 2 . 1 1 89 89 ALA N N 89 121.945 121.945 121.572 0.373 18521 1484 1 2 . 1 1 89 89 ALA HA H 89 3.734 3.734 4.046 -0.312 18521 1485 1 2 . 1 1 89 89 ALA C C 89 177.545 177.545 178.965 -1.420 18521 1486 1 2 . 1 1 89 89 ALA CA C 89 55.977 55.977 55.225 0.752 18521 1487 1 2 . 1 1 89 89 ALA CB C 89 18.763 18.763 18.077 0.686 18521 1488 1 2 . 1 1 89 89 ALA H H 89 8.472 8.472 8.041 0.431 18521 1489 1 2 . 1 1 90 90 LYS N N 90 117.743 117.743 118.672 -0.929 18521 1490 1 2 . 1 1 90 90 LYS HA H 90 4.015 4.015 2.249 1.766 18521 1491 1 2 . 1 1 90 90 LYS C C 90 177.667 177.667 178.467 -0.800 18521 1492 1 2 . 1 1 90 90 LYS CA C 90 58.703 58.703 58.350 0.353 18521 1493 1 2 . 1 1 90 90 LYS CB C 90 32.779 32.779 31.241 1.538 18521 1494 1 2 . 1 1 90 90 LYS H H 90 6.684 6.684 7.462 -0.778 18521 1495 1 2 . 1 1 91 91 ILE N N 91 117.216 117.216 119.013 -1.797 18521 1496 1 2 . 1 1 91 91 ILE HA H 91 3.414 3.414 3.567 -0.153 18521 1497 1 2 . 1 1 91 91 ILE C C 91 178.422 178.422 177.814 0.608 18521 1498 1 2 . 1 1 91 91 ILE CA C 91 64.094 64.094 65.098 -1.004 18521 1499 1 2 . 1 1 91 91 ILE CB C 91 37.481 37.481 37.826 -0.345 18521 1500 1 2 . 1 1 91 91 ILE H H 91 7.196 7.196 7.312 -0.116 18521 1501 1 2 . 1 1 92 92 TYR N N 92 122.201 122.201 121.021 1.180 18521 1502 1 2 . 1 1 92 92 TYR HA H 92 4.047 4.047 4.117 -0.070 18521 1503 1 2 . 1 1 92 92 TYR C C 92 177.726 177.726 177.419 0.307 18521 1504 1 2 . 1 1 92 92 TYR CA C 92 61.771 61.771 61.694 0.077 18521 1505 1 2 . 1 1 92 92 TYR CB C 92 39.295 39.295 38.354 0.941 18521 1506 1 2 . 1 1 92 92 TYR H H 92 8.466 8.466 7.873 0.593 18521 1507 1 2 . 1 1 93 93 MET N N 93 117.420 117.420 119.688 -2.268 18521 1508 1 2 . 1 1 93 93 MET HA H 93 3.896 3.896 3.974 -0.078 18521 1509 1 2 . 1 1 93 93 MET C C 93 180.221 180.221 177.766 2.455 18521 1510 1 2 . 1 1 93 93 MET CA C 93 57.586 57.586 58.109 -0.523 18521 1511 1 2 . 1 1 93 93 MET CB C 93 30.854 30.854 32.181 -1.327 18521 1512 1 2 . 1 1 93 93 MET H H 93 8.269 8.269 8.646 -0.377 18521 1513 1 2 . 1 1 94 94 LEU N N 94 125.183 125.183 120.258 4.925 18521 1514 1 2 . 1 1 94 94 LEU HA H 94 3.826 3.826 3.866 -0.040 18521 1515 1 2 . 1 1 94 94 LEU C C 94 177.787 177.787 178.125 -0.338 18521 1516 1 2 . 1 1 94 94 LEU CA C 94 58.729 58.729 58.492 0.237 18521 1517 1 2 . 1 1 94 94 LEU CB C 94 42.188 42.188 41.586 0.602 18521 1518 1 2 . 1 1 94 94 LEU H H 94 8.733 8.733 8.166 0.567 18521 1519 1 2 . 1 1 95 95 ASN N N 95 121.517 121.517 118.470 3.047 18521 1520 1 2 . 1 1 95 95 ASN HA H 95 4.184 4.184 4.273 -0.089 18521 1521 1 2 . 1 1 95 95 ASN C C 95 178.481 178.481 177.716 0.765 18521 1522 1 2 . 1 1 95 95 ASN CA C 95 56.312 56.312 56.358 -0.046 18521 1523 1 2 . 1 1 95 95 ASN H H 95 8.951 8.951 8.151 0.800 18521 1524 1 2 . 1 1 96 96 PHE N N 96 122.778 122.778 121.666 1.112 18521 1525 1 2 . 1 1 96 96 PHE HA H 96 4.341 4.341 4.111 0.230 18521 1526 1 2 . 1 1 96 96 PHE C C 96 177.925 177.925 176.872 1.053 18521 1527 1 2 . 1 1 96 96 PHE CA C 96 62.427 62.427 61.940 0.487 18521 1528 1 2 . 1 1 96 96 PHE H H 96 8.454 8.454 8.445 0.009 18521 1529 1 2 . 1 1 97 97 THR N N 97 117.115 117.115 116.475 0.640 18521 1530 1 2 . 1 1 97 97 THR HA H 97 3.369 3.369 3.807 -0.438 18521 1531 1 2 . 1 1 97 97 THR C C 97 176.185 176.185 176.797 -0.612 18521 1532 1 2 . 1 1 97 97 THR CA C 97 68.090 68.090 66.874 1.216 18521 1533 1 2 . 1 1 97 97 THR CB C 97 68.087 68.087 68.214 -0.127 18521 1534 1 2 . 1 1 97 97 THR H H 97 8.209 8.209 8.562 -0.353 18521 1535 1 2 . 1 1 98 98 MET N N 98 119.373 119.373 120.633 -1.260 18521 1536 1 2 . 1 1 98 98 MET HA H 98 4.360 4.360 4.366 -0.006 18521 1537 1 2 . 1 1 98 98 MET C C 98 177.887 177.887 178.679 -0.792 18521 1538 1 2 . 1 1 98 98 MET CA C 98 58.143 58.143 57.626 0.517 18521 1539 1 2 . 1 1 98 98 MET CB C 98 31.948 31.948 31.308 0.640 18521 1540 1 2 . 1 1 98 98 MET H H 98 8.958 8.958 8.858 0.100 18521 1541 1 2 . 1 1 99 99 SER N N 99 114.517 114.517 116.582 -2.065 18521 1542 1 2 . 1 1 99 99 SER HA H 99 4.043 4.043 4.094 -0.051 18521 1543 1 2 . 1 1 99 99 SER C C 99 176.195 176.195 176.629 -0.434 18521 1544 1 2 . 1 1 99 99 SER CA C 99 62.481 62.481 61.812 0.669 18521 1545 1 2 . 1 1 99 99 SER CB C 99 62.692 62.692 62.793 -0.101 18521 1546 1 2 . 1 1 99 99 SER H H 99 7.708 7.708 8.107 -0.399 18521 1547 1 2 . 1 1 100 100 LEU N N 100 125.126 125.126 123.687 1.439 18521 1548 1 2 . 1 1 100 100 LEU HA H 100 3.913 3.913 4.032 -0.119 18521 1549 1 2 . 1 1 100 100 LEU C C 100 177.327 177.327 177.993 -0.666 18521 1550 1 2 . 1 1 100 100 LEU CA C 100 58.005 58.005 57.264 0.741 18521 1551 1 2 . 1 1 100 100 LEU CB C 100 41.841 41.841 41.714 0.127 18521 1552 1 2 . 1 1 100 100 LEU H H 100 7.277 7.277 7.411 -0.134 18521 1553 1 2 . 1 1 101 101 TYR N N 101 120.940 120.940 119.844 1.096 18521 1554 1 2 . 1 1 101 101 TYR HA H 101 4.143 4.143 4.190 -0.047 18521 1555 1 2 . 1 1 101 101 TYR C C 101 176.784 176.784 177.408 -0.624 18521 1556 1 2 . 1 1 101 101 TYR CA C 101 61.543 61.543 60.835 0.708 18521 1557 1 2 . 1 1 101 101 TYR CB C 101 40.909 40.909 38.319 2.590 18521 1558 1 2 . 1 1 101 101 TYR H H 101 8.858 8.858 8.876 -0.018 18521 1559 1 2 . 1 1 102 102 ASN N N 102 119.067 119.067 116.687 2.380 18521 1560 1 2 . 1 1 102 102 ASN HA H 102 4.116 4.116 4.198 -0.082 18521 1561 1 2 . 1 1 102 102 ASN C C 102 178.713 178.713 177.510 1.203 18521 1562 1 2 . 1 1 102 102 ASN CA C 102 55.734 55.734 55.776 -0.042 18521 1563 1 2 . 1 1 102 102 ASN H H 102 8.700 8.700 8.865 -0.165 18521 1564 1 2 . 1 1 103 103 GLU N N 103 119.558 119.558 121.143 -1.585 18521 1565 1 2 . 1 1 103 103 GLU HA H 103 3.944 3.944 3.951 -0.007 18521 1566 1 2 . 1 1 103 103 GLU C C 103 179.012 179.012 178.683 0.329 18521 1567 1 2 . 1 1 103 103 GLU CA C 103 59.506 59.506 59.629 -0.123 18521 1568 1 2 . 1 1 103 103 GLU CB C 103 29.349 29.349 29.584 -0.235 18521 1569 1 2 . 1 1 103 103 GLU H H 103 7.599 7.599 7.875 -0.276 18521 1570 1 2 . 1 1 104 104 LYS N N 104 120.218 120.218 118.355 1.863 18521 1571 1 2 . 1 1 104 104 LYS HA H 104 4.051 4.051 4.058 -0.007 18521 1572 1 2 . 1 1 104 104 LYS C C 104 178.477 178.477 179.010 -0.533 18521 1573 1 2 . 1 1 104 104 LYS CA C 104 56.534 56.534 57.932 -1.398 18521 1574 1 2 . 1 1 104 104 LYS CB C 104 29.108 29.108 32.097 -2.989 18521 1575 1 2 . 1 1 104 104 LYS H H 104 8.311 8.311 7.644 0.667 18521 1576 1 2 . 1 1 105 105 LEU N N 105 122.110 122.110 119.714 2.396 18521 1577 1 2 . 1 1 105 105 LEU HA H 105 3.774 3.774 3.869 -0.095 18521 1578 1 2 . 1 1 105 105 LEU C C 105 180.224 180.224 178.582 1.642 18521 1579 1 2 . 1 1 105 105 LEU CA C 105 58.148 58.148 57.735 0.413 18521 1580 1 2 . 1 1 105 105 LEU CB C 105 42.394 42.394 41.237 1.157 18521 1581 1 2 . 1 1 105 105 LEU H H 105 8.604 8.604 7.921 0.683 18521 1582 1 2 . 1 1 106 106 LYS N N 106 119.031 119.031 119.475 -0.444 18521 1583 1 2 . 1 1 106 106 LYS HA H 106 4.035 4.035 3.851 0.184 18521 1584 1 2 . 1 1 106 106 LYS C C 106 178.496 178.496 179.439 -0.943 18521 1585 1 2 . 1 1 106 106 LYS CA C 106 59.820 59.820 59.320 0.500 18521 1586 1 2 . 1 1 106 106 LYS CB C 106 31.956 31.956 32.101 -0.145 18521 1587 1 2 . 1 1 106 106 LYS H H 106 7.339 7.339 7.922 -0.583 18521 1588 1 2 . 1 1 107 107 GLN N N 107 121.417 121.417 118.347 3.070 18521 1589 1 2 . 1 1 107 107 GLN HA H 107 3.744 3.744 3.818 -0.074 18521 1590 1 2 . 1 1 107 107 GLN C C 107 178.103 178.103 178.406 -0.303 18521 1591 1 2 . 1 1 107 107 GLN CA C 107 58.582 58.582 58.256 0.326 18521 1592 1 2 . 1 1 107 107 GLN CB C 107 26.969 26.969 28.276 -1.307 18521 1593 1 2 . 1 1 107 107 GLN H H 107 7.590 7.590 7.550 0.040 18521 1594 1 2 . 1 1 108 108 LEU N N 108 120.629 120.629 118.947 1.682 18521 1595 1 2 . 1 1 108 108 LEU HA H 108 3.806 3.806 4.472 -0.666 18521 1596 1 2 . 1 1 108 108 LEU C C 108 178.978 178.978 178.224 0.754 18521 1597 1 2 . 1 1 108 108 LEU CA C 108 58.306 58.306 57.450 0.856 18521 1598 1 2 . 1 1 108 108 LEU CB C 108 42.112 42.112 41.806 0.306 18521 1599 1 2 . 1 1 108 108 LEU H H 108 8.450 8.450 7.505 0.945 18521 1600 1 2 . 1 1 109 109 LYS N N 109 119.584 119.584 117.532 2.052 18521 1601 1 2 . 1 1 109 109 LYS HA H 109 4.166 4.166 4.083 0.083 18521 1602 1 2 . 1 1 109 109 LYS C C 109 177.859 177.859 177.119 0.740 18521 1603 1 2 . 1 1 109 109 LYS CA C 109 58.746 58.746 58.737 0.009 18521 1604 1 2 . 1 1 109 109 LYS CB C 109 32.637 32.637 32.729 -0.092 18521 1605 1 2 . 1 1 109 109 LYS H H 109 7.295 7.295 7.849 -0.554 18521 1606 1 2 . 1 1 110 110 ASP N N 110 116.950 116.950 113.289 3.661 18521 1607 1 2 . 1 1 110 110 ASP HA H 110 4.604 4.604 4.945 -0.341 18521 1608 1 2 . 1 1 110 110 ASP C C 110 177.157 177.157 175.021 2.136 18521 1609 1 2 . 1 1 110 110 ASP CA C 110 55.768 55.768 54.286 1.482 18521 1610 1 2 . 1 1 110 110 ASP CB C 110 42.724 42.724 43.500 -0.776 18521 1611 1 2 . 1 1 110 110 ASP H H 110 7.807 7.807 7.694 0.113 18521 1612 1 2 . 1 1 111 111 GLY N N 111 114.046 114.046 110.130 3.916 18521 1613 1 2 . 1 1 111 111 GLY CA C 111 41.845 41.845 44.209 -2.364 18521 1614 1 2 . 1 1 111 111 GLY H H 111 8.554 8.554 7.432 1.122 18521 1615 1 2 . 1 1 112 112 PRO HA H 112 4.552 4.552 4.093 0.459 18521 1616 1 2 . 1 1 112 112 PRO C C 112 174.967 174.967 175.854 -0.887 18521 1617 1 2 . 1 1 112 112 PRO CA C 112 61.222 61.222 62.727 -1.505 18521 1618 1 2 . 1 1 112 112 PRO CB C 112 35.056 35.056 32.288 2.768 18521 1619 1 2 . 1 1 113 113 TRP N N 113 123.139 123.139 123.368 -0.229 18521 1620 1 2 . 1 1 113 113 TRP HA H 113 4.650 4.650 4.876 -0.226 18521 1621 1 2 . 1 1 113 113 TRP C C 113 174.604 174.604 175.424 -0.820 18521 1622 1 2 . 1 1 113 113 TRP CA C 113 58.154 58.154 56.673 1.481 18521 1623 1 2 . 1 1 113 113 TRP CB C 113 27.048 27.048 31.300 -4.252 18521 1624 1 2 . 1 1 113 113 TRP H H 113 8.671 8.671 8.575 0.096 18521 1625 1 2 . 1 1 114 114 ASP N N 114 121.440 121.440 118.818 2.622 18521 1626 1 2 . 1 1 114 114 ASP HA H 114 4.930 4.930 4.794 0.136 18521 1627 1 2 . 1 1 114 114 ASP C C 114 176.979 176.979 176.072 0.907 18521 1628 1 2 . 1 1 114 114 ASP CA C 114 52.223 52.223 52.718 -0.495 18521 1629 1 2 . 1 1 114 114 ASP CB C 114 43.192 43.192 42.209 0.983 18521 1630 1 2 . 1 1 114 114 ASP H H 114 6.950 6.950 8.134 -1.184 18521 1631 1 2 . 1 1 115 115 VAL N N 115 118.386 118.386 120.356 -1.970 18521 1632 1 2 . 1 1 115 115 VAL HA H 115 3.825 3.825 3.808 0.017 18521 1633 1 2 . 1 1 115 115 VAL C C 115 177.760 177.760 178.083 -0.323 18521 1634 1 2 . 1 1 115 115 VAL CA C 115 65.611 65.611 65.079 0.532 18521 1635 1 2 . 1 1 115 115 VAL CB C 115 31.657 31.657 32.017 -0.359 18521 1636 1 2 . 1 1 115 115 VAL H H 115 8.181 8.181 8.407 -0.226 18521 1637 1 2 . 1 1 116 116 MET N N 116 120.354 120.354 118.620 1.734 18521 1638 1 2 . 1 1 116 116 MET HA H 116 4.284 4.284 4.154 0.130 18521 1639 1 2 . 1 1 116 116 MET C C 116 179.336 179.336 178.262 1.074 18521 1640 1 2 . 1 1 116 116 MET CA C 116 57.392 57.392 58.800 -1.408 18521 1641 1 2 . 1 1 116 116 MET CB C 116 30.450 30.450 32.238 -1.788 18521 1642 1 2 . 1 1 116 116 MET H H 116 7.661 7.661 7.922 -0.261 18521 1643 1 2 . 1 1 117 117 LEU N N 117 125.774 125.774 120.042 5.732 18521 1644 1 2 . 1 1 117 117 LEU HA H 117 4.129 4.129 4.063 0.066 18521 1645 1 2 . 1 1 117 117 LEU C C 117 178.399 178.399 178.032 0.367 18521 1646 1 2 . 1 1 117 117 LEU CA C 117 58.353 58.353 58.048 0.305 18521 1647 1 2 . 1 1 117 117 LEU CB C 117 40.392 40.392 41.625 -1.233 18521 1648 1 2 . 1 1 117 117 LEU H H 117 8.179 8.179 8.944 -0.765 18521 1649 1 2 . 1 1 118 118 LYS N N 118 118.471 118.471 119.486 -1.015 18521 1650 1 2 . 1 1 118 118 LYS HA H 118 3.824 3.824 3.900 -0.076 18521 1651 1 2 . 1 1 118 118 LYS C C 118 178.259 178.259 179.038 -0.779 18521 1652 1 2 . 1 1 118 118 LYS CA C 118 60.497 60.497 60.318 0.179 18521 1653 1 2 . 1 1 118 118 LYS CB C 118 32.355 32.355 32.439 -0.084 18521 1654 1 2 . 1 1 118 118 LYS H H 118 7.359 7.359 7.642 -0.283 18521 1655 1 2 . 1 1 119 119 ARG N N 119 117.838 117.838 118.286 -0.448 18521 1656 1 2 . 1 1 119 119 ARG HA H 119 4.158 4.158 4.291 -0.133 18521 1657 1 2 . 1 1 119 119 ARG C C 119 180.132 180.132 179.111 1.021 18521 1658 1 2 . 1 1 119 119 ARG CA C 119 59.535 59.535 59.340 0.195 18521 1659 1 2 . 1 1 119 119 ARG CB C 119 29.994 29.994 30.286 -0.292 18521 1660 1 2 . 1 1 119 119 ARG H H 119 8.316 8.316 7.914 0.402 18521 1661 1 2 . 1 1 120 120 SER N N 120 117.258 117.258 117.236 0.022 18521 1662 1 2 . 1 1 120 120 SER HA H 120 4.374 4.374 4.237 0.137 18521 1663 1 2 . 1 1 120 120 SER C C 120 176.034 176.034 176.810 -0.776 18521 1664 1 2 . 1 1 120 120 SER CA C 120 62.728 62.728 61.849 0.879 18521 1665 1 2 . 1 1 120 120 SER CB C 120 63.050 63.050 63.021 0.029 18521 1666 1 2 . 1 1 120 120 SER H H 120 8.598 8.598 7.942 0.656 18521 1667 1 2 . 1 1 121 121 LEU N N 121 125.307 125.307 121.775 3.532 18521 1668 1 2 . 1 1 121 121 LEU HA H 121 4.192 4.192 4.170 0.022 18521 1669 1 2 . 1 1 121 121 LEU C C 121 179.621 179.621 178.866 0.755 18521 1670 1 2 . 1 1 121 121 LEU CA C 121 58.894 58.894 57.871 1.023 18521 1671 1 2 . 1 1 121 121 LEU CB C 121 41.188 41.188 41.579 -0.391 18521 1672 1 2 . 1 1 121 121 LEU H H 121 8.250 8.250 8.214 0.036 18521 1673 1 2 . 1 1 122 122 TRP N N 122 120.444 120.444 119.553 0.891 18521 1674 1 2 . 1 1 122 122 TRP HA H 122 4.368 4.368 4.343 0.025 18521 1675 1 2 . 1 1 122 122 TRP C C 122 176.943 176.943 178.659 -1.716 18521 1676 1 2 . 1 1 122 122 TRP CA C 122 61.452 61.452 61.580 -0.128 18521 1677 1 2 . 1 1 122 122 TRP CB C 122 29.823 29.823 29.180 0.643 18521 1678 1 2 . 1 1 122 122 TRP H H 122 7.873 7.873 7.757 0.116 18521 1679 1 2 . 1 1 123 123 CYS N N 123 120.188 120.188 119.536 0.652 18521 1680 1 2 . 1 1 123 123 CYS HA H 123 4.264 4.264 4.181 0.083 18521 1681 1 2 . 1 1 123 123 CYS C C 123 176.875 176.875 177.159 -0.284 18521 1682 1 2 . 1 1 123 123 CYS CA C 123 60.573 60.573 62.831 -2.257 18521 1683 1 2 . 1 1 123 123 CYS CB C 123 25.642 25.642 27.497 -1.855 18521 1684 1 2 . 1 1 123 123 CYS H H 123 8.271 8.271 8.023 0.248 18521 1685 1 2 . 1 1 124 124 CYS N N 124 116.760 116.760 119.311 -2.551 18521 1686 1 2 . 1 1 124 124 CYS HA H 124 3.880 3.880 4.029 -0.149 18521 1687 1 2 . 1 1 124 124 CYS C C 124 175.810 175.810 177.091 -1.281 18521 1688 1 2 . 1 1 124 124 CYS CA C 124 65.646 65.646 65.147 0.499 18521 1689 1 2 . 1 1 124 124 CYS CB C 124 28.069 28.069 27.578 0.491 18521 1690 1 2 . 1 1 124 124 CYS H H 124 8.208 8.208 7.913 0.295 18521 1691 1 2 . 1 1 125 125 ILE N N 125 121.167 121.167 120.914 0.253 18521 1692 1 2 . 1 1 125 125 ILE HA H 125 3.580 3.580 3.734 -0.154 18521 1693 1 2 . 1 1 125 125 ILE C C 125 179.302 179.302 177.659 1.643 18521 1694 1 2 . 1 1 125 125 ILE CA C 125 67.663 67.663 65.945 1.718 18521 1695 1 2 . 1 1 125 125 ILE CB C 125 37.988 37.988 37.434 0.554 18521 1696 1 2 . 1 1 125 125 ILE H H 125 8.073 8.073 8.309 -0.236 18521 1697 1 2 . 1 1 126 126 ASP N N 126 124.812 124.812 120.270 4.542 18521 1698 1 2 . 1 1 126 126 ASP HA H 126 4.622 4.622 4.433 0.189 18521 1699 1 2 . 1 1 126 126 ASP C C 126 178.091 178.091 178.984 -0.893 18521 1700 1 2 . 1 1 126 126 ASP CA C 126 58.885 58.885 57.483 1.402 18521 1701 1 2 . 1 1 126 126 ASP CB C 126 40.408 40.408 40.303 0.105 18521 1702 1 2 . 1 1 126 126 ASP H H 126 8.778 8.778 7.758 1.020 18521 1703 1 2 . 1 1 127 127 LEU N N 127 122.531 122.531 119.993 2.538 18521 1704 1 2 . 1 1 127 127 LEU HA H 127 3.841 3.841 3.756 0.085 18521 1705 1 2 . 1 1 127 127 LEU C C 127 179.582 179.582 178.905 0.677 18521 1706 1 2 . 1 1 127 127 LEU CA C 127 58.632 58.632 57.813 0.819 18521 1707 1 2 . 1 1 127 127 LEU CB C 127 42.680 42.680 41.529 1.151 18521 1708 1 2 . 1 1 127 127 LEU H H 127 8.888 8.888 7.380 1.508 18521 1709 1 2 . 1 1 128 128 ILE N N 128 121.311 121.311 119.311 2.000 18521 1710 1 2 . 1 1 128 128 ILE HA H 128 3.938 3.938 3.669 0.269 18521 1711 1 2 . 1 1 128 128 ILE C C 128 176.725 176.725 178.240 -1.515 18521 1712 1 2 . 1 1 128 128 ILE CA C 128 60.922 60.922 65.205 -4.283 18521 1713 1 2 . 1 1 128 128 ILE CB C 128 38.971 38.971 37.123 1.849 18521 1714 1 2 . 1 1 128 128 ILE H H 128 7.469 7.469 7.822 -0.353 18521 1715 1 2 . 1 1 129 129 ASN N N 129 122.727 122.727 118.665 4.062 18521 1716 1 2 . 1 1 129 129 ASN HA H 129 4.582 4.582 4.479 0.103 18521 1717 1 2 . 1 1 129 129 ASN C C 129 177.132 177.132 177.439 -0.307 18521 1718 1 2 . 1 1 129 129 ASN CA C 129 52.982 52.982 57.145 -4.163 18521 1719 1 2 . 1 1 129 129 ASN CB C 129 38.792 38.792 37.671 1.121 18521 1720 1 2 . 1 1 129 129 ASN H H 129 8.173 8.173 8.166 0.007 18521 1721 1 2 . 1 1 130 130 ILE N N 130 120.527 120.527 122.060 -1.533 18521 1722 1 2 . 1 1 130 130 ILE HA H 130 4.305 4.305 2.818 1.487 18521 1723 1 2 . 1 1 130 130 ILE C C 130 175.796 175.796 177.507 -1.711 18521 1724 1 2 . 1 1 130 130 ILE CA C 130 61.246 61.246 65.957 -4.710 18521 1725 1 2 . 1 1 130 130 ILE CB C 130 38.797 38.797 37.071 1.726 18521 1726 1 2 . 1 1 130 130 ILE H H 130 8.096 8.096 7.379 0.717 18521 1727 1 2 . 1 1 131 131 ASP N N 131 122.165 122.165 120.825 1.340 18521 1728 1 2 . 1 1 131 131 ASP HA H 131 4.416 4.416 4.133 0.283 18521 1729 1 2 . 1 1 131 131 ASP C C 131 176.750 176.750 178.200 -1.450 18521 1730 1 2 . 1 1 131 131 ASP CA C 131 55.955 55.955 58.547 -2.592 18521 1731 1 2 . 1 1 131 131 ASP CB C 131 41.117 41.117 40.708 0.409 18521 1732 1 2 . 1 1 131 131 ASP H H 131 8.157 8.157 7.915 0.242 18521 1733 1 2 . 1 1 132 132 LYS N N 132 119.537 119.537 118.264 1.273 18521 1734 1 2 . 1 1 132 132 LYS HA H 132 4.373 4.373 3.955 0.418 18521 1735 1 2 . 1 1 132 132 LYS C C 132 176.405 176.405 178.428 -2.023 18521 1736 1 2 . 1 1 132 132 LYS CA C 132 55.699 55.699 59.279 -3.580 18521 1737 1 2 . 1 1 132 132 LYS CB C 132 32.822 32.822 32.137 0.685 18521 1738 1 2 . 1 1 132 132 LYS H H 132 8.023 8.023 7.745 0.278 18521 1739 1 2 . 1 1 133 133 LEU N N 133 120.242 120.242 120.337 -0.095 18521 1740 1 2 . 1 1 133 133 LEU HA H 133 4.158 4.158 4.318 -0.160 18521 1741 1 2 . 1 1 133 133 LEU C C 133 178.449 178.449 179.833 -1.384 18521 1742 1 2 . 1 1 133 133 LEU CA C 133 57.538 57.538 58.298 -0.760 18521 1743 1 2 . 1 1 133 133 LEU CB C 133 41.572 41.572 42.870 -1.298 18521 1744 1 2 . 1 1 133 133 LEU H H 133 8.024 8.024 7.808 0.216 18521 1745 1 2 . 1 1 134 134 GLN N N 134 117.985 117.985 117.881 0.104 18521 1746 1 2 . 1 1 134 134 GLN HA H 134 4.018 4.018 3.915 0.103 18521 1747 1 2 . 1 1 134 134 GLN C C 134 179.500 179.500 177.046 2.454 18521 1748 1 2 . 1 1 134 134 GLN CA C 134 58.175 58.175 58.041 0.134 18521 1749 1 2 . 1 1 134 134 GLN CB C 134 29.102 29.102 28.286 0.816 18521 1750 1 2 . 1 1 134 134 GLN H H 134 8.536 8.536 8.361 0.175 18521 1751 1 2 . 1 1 135 135 TRP N N 135 115.550 115.550 117.226 -1.676 18521 1752 1 2 . 1 1 135 135 TRP HA H 135 4.991 4.991 4.893 0.098 18521 1753 1 2 . 1 1 135 135 TRP C C 135 175.170 175.170 175.209 -0.039 18521 1754 1 2 . 1 1 135 135 TRP CA C 135 59.426 59.426 55.729 3.697 18521 1755 1 2 . 1 1 135 135 TRP CB C 135 26.894 26.894 28.178 -1.284 18521 1756 1 2 . 1 1 135 135 TRP H H 135 7.727 7.727 7.471 0.256 18521 1757 1 2 . 1 1 136 136 LYS N N 136 119.841 119.841 120.019 -0.178 18521 1758 1 2 . 1 1 136 136 LYS HA H 136 3.830 3.830 4.072 -0.242 18521 1759 1 2 . 1 1 136 136 LYS C C 136 178.330 178.330 178.701 -0.371 18521 1760 1 2 . 1 1 136 136 LYS CA C 136 60.194 60.194 60.190 0.005 18521 1761 1 2 . 1 1 136 136 LYS CB C 136 32.902 32.902 32.507 0.395 18521 1762 1 2 . 1 1 136 136 LYS H H 136 6.580 6.580 7.656 -1.076 18521 1763 1 2 . 1 1 137 137 GLU N N 137 115.250 115.250 116.453 -1.203 18521 1764 1 2 . 1 1 137 137 GLU HA H 137 4.177 4.177 4.149 0.028 18521 1765 1 2 . 1 1 137 137 GLU C C 137 176.698 176.698 177.166 -0.468 18521 1766 1 2 . 1 1 137 137 GLU CA C 137 57.766 57.766 58.288 -0.522 18521 1767 1 2 . 1 1 137 137 GLU CB C 137 29.221 29.221 29.352 -0.131 18521 1768 1 2 . 1 1 137 137 GLU H H 137 8.549 8.549 8.761 -0.212 18521 1769 1 2 . 1 1 138 138 ASN N N 138 116.578 116.578 115.501 1.077 18521 1770 1 2 . 1 1 138 138 ASN HA H 138 4.943 4.943 4.744 0.199 18521 1771 1 2 . 1 1 138 138 ASN C C 138 173.448 173.448 174.469 -1.021 18521 1772 1 2 . 1 1 138 138 ASN CA C 138 52.681 52.681 53.494 -0.813 18521 1773 1 2 . 1 1 138 138 ASN CB C 138 40.833 40.833 39.434 1.399 18521 1774 1 2 . 1 1 138 138 ASN H H 138 8.337 8.337 7.700 0.637 18521 1775 1 2 . 1 1 139 139 ILE N N 139 120.835 120.835 120.080 0.755 18521 1776 1 2 . 1 1 139 139 ILE HA H 139 4.339 4.339 4.233 0.106 18521 1777 1 2 . 1 1 139 139 ILE C C 139 175.219 175.219 174.874 0.345 18521 1778 1 2 . 1 1 139 139 ILE CA C 139 60.867 60.867 60.427 0.440 18521 1779 1 2 . 1 1 139 139 ILE CB C 139 40.270 40.270 39.842 0.428 18521 1780 1 2 . 1 1 139 139 ILE H H 139 7.138 7.138 7.213 -0.075 18521 1781 1 2 . 1 1 140 140 MET N N 140 123.319 123.319 122.173 1.146 18521 1782 1 2 . 1 1 140 140 MET HA H 140 4.324 4.324 4.447 -0.123 18521 1783 1 2 . 1 1 140 140 MET C C 140 177.931 177.931 177.207 0.724 18521 1784 1 2 . 1 1 140 140 MET CA C 140 58.511 58.511 55.347 3.164 18521 1785 1 2 . 1 1 140 140 MET CB C 140 65.156 65.156 64.333 0.823 18521 1786 1 2 . 1 1 140 140 MET H H 140 8.714 8.714 8.353 0.361 18521 1787 1 2 . 1 1 141 141 LEU N N 141 120.610 120.610 123.924 -3.314 18521 1788 1 2 . 1 1 141 141 LEU HA H 141 4.047 4.047 4.015 0.032 18521 1789 1 2 . 1 1 141 141 LEU C C 141 177.281 177.281 178.897 -1.616 18521 1790 1 2 . 1 1 141 141 LEU CA C 141 58.362 58.362 58.233 0.129 18521 1791 1 2 . 1 1 141 141 LEU H H 141 8.333 8.333 8.872 -0.539 18521 1792 1 2 . 1 1 142 142 ASP N N 142 121.268 121.268 121.586 -0.318 18521 1793 1 2 . 1 1 142 142 ASP HA H 142 4.415 4.415 4.472 -0.057 18521 1794 1 2 . 1 1 142 142 ASP C C 142 175.916 175.916 178.288 -2.372 18521 1795 1 2 . 1 1 142 142 ASP CA C 142 54.678 54.678 57.695 -3.017 18521 1796 1 2 . 1 1 142 142 ASP CB C 142 68.329 68.329 68.298 0.031 18521 1797 1 2 . 1 1 142 142 ASP H H 142 8.199 8.199 8.241 -0.042 18521 1798 1 2 . 1 1 143 143 LEU N N 143 120.218 120.218 123.209 -2.991 18521 1799 1 2 . 1 1 143 143 LEU HA H 143 4.108 4.108 4.071 0.037 18521 1800 1 2 . 1 1 143 143 LEU C C 143 176.205 176.205 178.765 -2.560 18521 1801 1 2 . 1 1 143 143 LEU CA C 143 57.314 57.314 58.102 -0.788 18521 1802 1 2 . 1 1 143 143 LEU CB C 143 39.700 39.700 41.760 -2.060 18521 1803 1 2 . 1 1 143 143 LEU H H 143 7.858 7.858 8.061 -0.203 18521 1804 1 2 . 1 1 144 144 ILE N N 144 121.582 121.582 123.945 -2.363 18521 1805 1 2 . 1 1 144 144 ILE HA H 144 4.083 4.083 3.802 0.281 18521 1806 1 2 . 1 1 144 144 ILE C C 144 177.130 177.130 177.428 -0.298 18521 1807 1 2 . 1 1 144 144 ILE CA C 144 60.697 60.697 65.587 -4.890 18521 1808 1 2 . 1 1 144 144 ILE CB C 144 38.565 38.565 37.241 1.324 18521 1809 1 2 . 1 1 144 144 ILE H H 144 7.948 7.948 8.170 -0.222 18521 1810 1 2 . 1 1 145 145 GLU N N 145 120.974 120.974 121.194 -0.220 18521 1811 1 2 . 1 1 145 145 GLU HA H 145 4.049 4.049 4.159 -0.110 18521 1812 1 2 . 1 1 145 145 GLU C C 145 179.664 179.664 178.225 1.439 18521 1813 1 2 . 1 1 145 145 GLU CA C 145 59.673 59.673 60.236 -0.563 18521 1814 1 2 . 1 1 145 145 GLU CB C 145 29.521 29.521 29.679 -0.158 18521 1815 1 2 . 1 1 145 145 GLU H H 145 7.869 7.869 7.768 0.101 18521 1816 1 2 . 1 1 146 146 GLN N N 146 118.520 118.520 120.214 -1.694 18521 1817 1 2 . 1 1 146 146 GLN HA H 146 4.034 4.034 4.036 -0.002 18521 1818 1 2 . 1 1 146 146 GLN C C 146 178.820 178.820 177.917 0.903 18521 1819 1 2 . 1 1 146 146 GLN CA C 146 58.720 58.720 59.678 -0.958 18521 1820 1 2 . 1 1 146 146 GLN CB C 146 29.312 29.312 28.359 0.953 18521 1821 1 2 . 1 1 146 146 GLN H H 146 8.407 8.407 7.469 0.938 18521 1822 1 2 . 1 1 147 147 GLY N N 147 108.998 108.998 109.671 -0.673 18521 1823 1 2 . 1 1 147 147 GLY HA H 147 3.471 3.471 3.755 -0.284 18521 1824 1 2 . 1 1 147 147 GLY C C 147 175.794 175.794 176.451 -0.657 18521 1825 1 2 . 1 1 147 147 GLY CA C 147 47.525 47.525 48.162 -0.637 18521 1826 1 2 . 1 1 147 147 GLY CB C 147 41.801 41.801 41.479 0.322 18521 1827 1 2 . 1 1 147 147 GLY H H 147 8.059 8.059 7.568 0.491 18521 1828 1 2 . 1 1 148 148 ASP N N 148 124.022 124.022 118.698 5.324 18521 1829 1 2 . 1 1 148 148 ASP HA H 148 4.342 4.342 4.152 0.190 18521 1830 1 2 . 1 1 148 148 ASP C C 148 175.607 175.607 178.554 -2.947 18521 1831 1 2 . 1 1 148 148 ASP CA C 148 57.252 57.252 57.405 -0.153 18521 1832 1 2 . 1 1 148 148 ASP CB C 148 39.918 39.918 40.392 -0.474 18521 1833 1 2 . 1 1 148 148 ASP H H 148 8.522 8.522 8.408 0.114 18521 1834 1 2 . 1 1 149 149 GLU N N 149 121.333 121.333 119.509 1.824 18521 1835 1 2 . 1 1 149 149 GLU HA H 149 4.008 4.008 3.986 0.022 18521 1836 1 2 . 1 1 149 149 GLU C C 149 175.652 175.652 178.633 -2.981 18521 1837 1 2 . 1 1 149 149 GLU CA C 149 59.394 59.394 60.078 -0.684 18521 1838 1 2 . 1 1 149 149 GLU CB C 149 32.048 32.048 32.351 -0.303 18521 1839 1 2 . 1 1 149 149 GLU H H 149 7.768 7.768 7.992 -0.224 18521 1840 1 2 . 1 1 150 150 LEU N N 150 120.820 120.820 118.883 1.937 18521 1841 1 2 . 1 1 150 150 LEU HA H 150 3.718 3.718 4.070 -0.352 18521 1842 1 2 . 1 1 150 150 LEU C C 150 179.476 179.476 179.531 -0.055 18521 1843 1 2 . 1 1 150 150 LEU CA C 150 57.656 57.656 57.818 -0.162 18521 1844 1 2 . 1 1 150 150 LEU CB C 150 28.936 28.936 29.609 -0.673 18521 1845 1 2 . 1 1 150 150 LEU H H 150 8.113 8.113 7.190 0.923 18521 1846 1 2 . 1 1 151 151 GLN N N 151 118.698 118.698 119.157 -0.459 18521 1847 1 2 . 1 1 151 151 GLN HA H 151 3.990 3.990 3.647 0.343 18521 1848 1 2 . 1 1 151 151 GLN C C 151 178.418 178.418 177.367 1.051 18521 1849 1 2 . 1 1 151 151 GLN CA C 151 58.570 58.570 59.765 -1.195 18521 1850 1 2 . 1 1 151 151 GLN CB C 151 38.409 38.409 37.487 0.922 18521 1851 1 2 . 1 1 151 151 GLN H H 151 8.282 8.282 7.523 0.759 18521 1852 1 2 . 1 1 152 152 GLU N N 152 120.750 120.750 120.172 0.578 18521 1853 1 2 . 1 1 152 152 GLU HA H 152 4.035 4.035 3.977 0.058 18521 1854 1 2 . 1 1 152 152 GLU C C 152 178.916 178.916 178.864 0.052 18521 1855 1 2 . 1 1 152 152 GLU CA C 152 59.223 59.223 59.394 -0.171 18521 1856 1 2 . 1 1 152 152 GLU CB C 152 29.322 29.322 29.189 0.133 18521 1857 1 2 . 1 1 152 152 GLU H H 152 7.499 7.499 8.209 -0.710 18521 1858 1 2 . 1 1 153 153 VAL N N 153 120.317 120.317 120.457 -0.140 18521 1859 1 2 . 1 1 153 153 VAL HA H 153 3.695 3.695 3.805 -0.110 18521 1860 1 2 . 1 1 153 153 VAL C C 153 178.846 178.846 178.345 0.501 18521 1861 1 2 . 1 1 153 153 VAL CA C 153 65.832 65.832 66.519 -0.687 18521 1862 1 2 . 1 1 153 153 VAL CB C 153 31.921 31.921 31.703 0.218 18521 1863 1 2 . 1 1 153 153 VAL H H 153 7.763 7.763 8.358 -0.595 18521 1864 1 2 . 1 1 154 154 LEU N N 154 121.374 121.374 119.576 1.798 18521 1865 1 2 . 1 1 154 154 LEU HA H 154 3.917 3.917 3.855 0.062 18521 1866 1 2 . 1 1 154 154 LEU C C 154 178.836 178.836 178.308 0.528 18521 1867 1 2 . 1 1 154 154 LEU CA C 154 57.439 57.439 60.514 -3.075 18521 1868 1 2 . 1 1 154 154 LEU CB C 154 41.797 41.797 42.042 -0.245 18521 1869 1 2 . 1 1 154 154 LEU H H 154 7.731 7.731 8.012 -0.281 18521 1870 1 2 . 1 1 155 155 ALA N N 155 121.695 121.695 123.819 -2.124 18521 1871 1 2 . 1 1 155 155 ALA HA H 155 4.145 4.145 3.796 0.349 18521 1872 1 2 . 1 1 155 155 ALA C C 155 179.502 179.502 179.762 -0.260 18521 1873 1 2 . 1 1 155 155 ALA CA C 155 54.175 54.175 55.463 -1.288 18521 1874 1 2 . 1 1 155 155 ALA CB C 155 18.499 18.499 18.681 -0.182 18521 1875 1 2 . 1 1 155 155 ALA H H 155 7.896 7.896 7.822 0.074 18521 1876 1 2 . 1 1 156 156 MET N N 156 117.652 117.652 118.810 -1.158 18521 1877 1 2 . 1 1 156 156 MET HA H 156 4.228 4.228 3.905 0.323 18521 1878 1 2 . 1 1 156 156 MET C C 156 177.366 177.366 178.183 -0.817 18521 1879 1 2 . 1 1 156 156 MET CA C 156 57.306 57.306 59.334 -2.028 18521 1880 1 2 . 1 1 156 156 MET CB C 156 32.373 32.373 32.554 -0.181 18521 1881 1 2 . 1 1 156 156 MET H H 156 7.778 7.778 8.388 -0.610 18521 1882 1 2 . 1 1 157 157 ASN N N 157 117.853 117.853 117.140 0.713 18521 1883 1 2 . 1 1 157 157 ASN HA H 157 4.588 4.588 4.164 0.424 18521 1884 1 2 . 1 1 157 157 ASN C C 157 175.211 175.211 177.738 -2.527 18521 1885 1 2 . 1 1 157 157 ASN CA C 157 54.068 54.068 57.212 -3.144 18521 1886 1 2 . 1 1 157 157 ASN CB C 157 39.125 39.125 38.248 0.877 18521 1887 1 2 . 1 1 157 157 ASN H H 157 8.009 8.009 8.334 -0.325 18521 1888 1 2 . 1 1 158 158 ASN N N 158 117.684 117.684 117.355 0.329 18521 1889 1 2 . 1 1 158 158 ASN HA H 158 4.612 4.612 4.316 0.296 18521 1890 1 2 . 1 1 158 158 ASN C C 158 174.669 174.669 177.243 -2.574 18521 1891 1 2 . 1 1 158 158 ASN CA C 158 53.554 53.554 56.102 -2.547 18521 1892 1 2 . 1 1 158 158 ASN CB C 158 39.343 39.343 37.986 1.357 18521 1893 1 2 . 1 1 158 158 ASN H H 158 7.951 7.951 8.861 -0.910 18521 1894 1 2 . 1 1 159 159 ASN N N 159 119.399 119.399 117.068 2.331 18521 1895 1 2 . 1 1 159 159 ASN HA H 159 4.583 4.583 4.392 0.191 18521 1896 1 2 . 1 1 159 159 ASN C C 159 175.563 175.563 177.631 -2.068 18521 1897 1 2 . 1 1 159 159 ASN CA C 159 53.901 53.901 56.669 -2.768 18521 1898 1 2 . 1 1 159 159 ASN CB C 159 38.425 38.425 38.104 0.321 18521 1899 1 2 . 1 1 159 159 ASN H H 159 8.319 8.319 7.681 0.638 18521 1900 1 2 . 1 1 160 160 SER N N 160 115.453 115.453 117.199 -1.746 18521 1901 1 2 . 1 1 160 160 SER HA H 160 4.324 4.324 4.087 0.237 18521 1902 1 2 . 1 1 160 160 SER C C 160 174.952 174.952 177.075 -2.123 18521 1903 1 2 . 1 1 160 160 SER CA C 160 58.851 58.851 61.257 -2.405 18521 1904 1 2 . 1 1 160 160 SER CB C 160 63.704 63.704 62.890 0.814 18521 1905 1 2 . 1 1 160 160 SER H H 160 8.297 8.297 7.495 0.802 18521 1906 1 2 . 1 1 161 161 GLY N N 161 110.851 110.851 106.571 4.280 18521 1907 1 2 . 1 1 161 161 GLY HA H 161 4.146 4.146 4.067 0.079 18521 1908 1 2 . 1 1 161 161 GLY C C 161 173.974 173.974 177.684 -3.710 18521 1909 1 2 . 1 1 161 161 GLY CA C 161 45.348 45.348 48.175 -2.827 18521 1910 1 2 . 1 1 161 161 GLY CB C 161 42.245 42.245 41.700 0.545 18521 1911 1 2 . 1 1 161 161 GLY H H 161 8.328 8.328 8.277 0.051 18521 1912 1 2 . 1 1 162 162 GLU N N 162 120.859 120.859 118.562 2.297 18521 1913 1 2 . 1 1 162 162 GLU HA H 162 4.211 4.211 4.219 -0.008 18521 1914 1 2 . 1 1 162 162 GLU C C 162 177.522 177.522 177.355 0.167 18521 1915 1 2 . 1 1 162 162 GLU CA C 162 56.065 56.065 58.937 -2.872 18521 1916 1 2 . 1 1 162 162 GLU CB C 162 29.852 29.852 28.930 0.922 18521 1917 1 2 . 1 1 162 162 GLU H H 162 8.244 8.244 7.943 0.301 18521 1918 1 2 . 1 1 163 163 LEU N N 163 124.226 124.226 118.094 6.132 18521 1919 1 2 . 1 1 163 163 LEU HA H 163 3.889 3.889 4.321 -0.432 18521 1920 1 2 . 1 1 163 163 LEU C C 163 178.043 178.043 176.726 1.317 18521 1921 1 2 . 1 1 163 163 LEU CA C 163 57.163 57.163 54.295 2.868 18521 1922 1 2 . 1 1 163 163 LEU CB C 163 41.840 41.840 41.965 -0.125 18521 1923 1 2 . 1 1 163 163 LEU H H 163 8.337 8.337 7.571 0.766 18521 1924 1 2 . 1 1 164 164 ASP N N 164 116.994 116.994 119.226 -2.232 18521 1925 1 2 . 1 1 164 164 ASP HA H 164 4.327 4.327 4.266 0.061 18521 1926 1 2 . 1 1 164 164 ASP C C 164 176.423 176.423 176.832 -0.409 18521 1927 1 2 . 1 1 164 164 ASP CA C 164 55.427 55.427 54.747 0.680 18521 1928 1 2 . 1 1 164 164 ASP H H 164 8.188 8.188 7.725 0.463 18521 1929 1 2 . 1 1 165 165 ASP N N 165 118.967 118.967 119.219 -0.252 18521 1930 1 2 . 1 1 165 165 ASP HA H 165 4.443 4.443 4.395 0.048 18521 1931 1 2 . 1 1 165 165 ASP C C 165 175.654 175.654 176.121 -0.467 18521 1932 1 2 . 1 1 165 165 ASP CA C 165 54.707 54.707 55.052 -0.345 18521 1933 1 2 . 1 1 165 165 ASP CB C 165 40.973 40.973 41.307 -0.334 18521 1934 1 2 . 1 1 165 165 ASP H H 165 7.701 7.701 7.946 -0.245 18521 1935 1 2 . 1 1 166 166 ILE N N 166 122.002 122.002 119.434 2.568 18521 1936 1 2 . 1 1 166 166 ILE HA H 166 4.049 4.049 4.023 0.026 18521 1937 1 2 . 1 1 166 166 ILE C C 166 175.180 175.180 175.114 0.066 18521 1938 1 2 . 1 1 166 166 ILE CA C 166 60.396 60.396 59.718 0.678 18521 1939 1 2 . 1 1 166 166 ILE CB C 166 39.185 39.185 37.736 1.449 18521 1940 1 2 . 1 1 166 166 ILE H H 166 7.388 7.388 7.269 0.119 18521 1941 1 3 . 1 1 2 2 ALA N N 2 122.445 122.445 124.459 -2.014 18521 1942 1 3 . 1 1 2 2 ALA HA H 2 4.045 4.045 4.078 -0.033 18521 1943 1 3 . 1 1 2 2 ALA C C 2 179.992 179.992 178.728 1.264 18521 1944 1 3 . 1 1 2 2 ALA CA C 2 55.140 55.140 54.926 0.214 18521 1945 1 3 . 1 1 2 2 ALA CB C 2 18.482 18.482 17.999 0.483 18521 1946 1 3 . 1 1 2 2 ALA H H 2 8.545 8.545 8.358 0.187 18521 1947 1 3 . 1 1 3 3 SER N N 3 115.544 115.544 112.667 2.877 18521 1948 1 3 . 1 1 3 3 SER HA H 3 4.030 4.030 4.162 -0.132 18521 1949 1 3 . 1 1 3 3 SER C C 3 176.584 176.584 176.702 -0.118 18521 1950 1 3 . 1 1 3 3 SER CA C 3 60.748 60.748 61.131 -0.383 18521 1951 1 3 . 1 1 3 3 SER CB C 3 62.416 62.416 62.499 -0.083 18521 1952 1 3 . 1 1 3 3 SER H H 3 8.009 8.009 8.434 -0.425 18521 1953 1 3 . 1 1 4 4 ASN N N 4 123.103 123.103 121.125 1.978 18521 1954 1 3 . 1 1 4 4 ASN HA H 4 4.318 4.318 4.519 -0.201 18521 1955 1 3 . 1 1 4 4 ASN C C 4 176.215 176.215 177.085 -0.870 18521 1956 1 3 . 1 1 4 4 ASN CA C 4 55.580 55.580 55.657 -0.077 18521 1957 1 3 . 1 1 4 4 ASN CB C 4 38.154 38.154 37.795 0.359 18521 1958 1 3 . 1 1 4 4 ASN H H 4 7.965 7.965 7.855 0.110 18521 1959 1 3 . 1 1 5 5 ALA N N 5 122.314 122.314 123.223 -0.909 18521 1960 1 3 . 1 1 5 5 ALA HA H 5 3.560 3.560 3.805 -0.245 18521 1961 1 3 . 1 1 5 5 ALA C C 5 178.543 178.543 178.807 -0.264 18521 1962 1 3 . 1 1 5 5 ALA CA C 5 55.774 55.774 54.978 0.796 18521 1963 1 3 . 1 1 5 5 ALA CB C 5 17.638 17.638 18.108 -0.470 18521 1964 1 3 . 1 1 5 5 ALA H H 5 8.721 8.721 7.496 1.225 18521 1965 1 3 . 1 1 6 6 ALA N N 6 117.886 117.886 121.389 -3.503 18521 1966 1 3 . 1 1 6 6 ALA HA H 6 3.784 3.784 3.961 -0.177 18521 1967 1 3 . 1 1 6 6 ALA C C 6 180.378 180.378 179.329 1.049 18521 1968 1 3 . 1 1 6 6 ALA CA C 6 55.240 55.240 55.042 0.198 18521 1969 1 3 . 1 1 6 6 ALA CB C 6 17.890 17.890 18.043 -0.153 18521 1970 1 3 . 1 1 6 6 ALA H H 6 7.891 7.891 7.455 0.436 18521 1971 1 3 . 1 1 7 7 ARG N N 7 120.992 120.992 119.443 1.549 18521 1972 1 3 . 1 1 7 7 ARG HA H 7 3.770 3.770 4.042 -0.272 18521 1973 1 3 . 1 1 7 7 ARG C C 7 179.531 179.531 178.642 0.889 18521 1974 1 3 . 1 1 7 7 ARG CA C 7 59.249 59.249 59.408 -0.159 18521 1975 1 3 . 1 1 7 7 ARG CB C 7 29.546 29.546 30.406 -0.860 18521 1976 1 3 . 1 1 7 7 ARG H H 7 7.503 7.503 7.928 -0.425 18521 1977 1 3 . 1 1 8 8 VAL N N 8 123.707 123.707 119.327 4.380 18521 1978 1 3 . 1 1 8 8 VAL HA H 8 3.285 3.285 3.802 -0.517 18521 1979 1 3 . 1 1 8 8 VAL C C 8 177.740 177.740 178.239 -0.499 18521 1980 1 3 . 1 1 8 8 VAL CA C 8 67.839 67.839 66.667 1.172 18521 1981 1 3 . 1 1 8 8 VAL CB C 8 31.516 31.516 31.297 0.219 18521 1982 1 3 . 1 1 8 8 VAL H H 8 8.176 8.176 8.251 -0.075 18521 1983 1 3 . 1 1 9 9 VAL N N 9 119.893 119.893 120.397 -0.504 18521 1984 1 3 . 1 1 9 9 VAL HA H 9 3.286 3.286 3.507 -0.221 18521 1985 1 3 . 1 1 9 9 VAL C C 9 177.535 177.535 177.868 -0.333 18521 1986 1 3 . 1 1 9 9 VAL CA C 9 67.549 67.549 67.194 0.355 18521 1987 1 3 . 1 1 9 9 VAL CB C 9 31.683 31.683 31.356 0.327 18521 1988 1 3 . 1 1 9 9 VAL H H 9 8.329 8.329 7.948 0.381 18521 1989 1 3 . 1 1 10 10 ALA N N 10 122.541 122.541 121.644 0.897 18521 1990 1 3 . 1 1 10 10 ALA HA H 10 3.971 3.971 4.063 -0.092 18521 1991 1 3 . 1 1 10 10 ALA C C 10 177.093 177.093 179.599 -2.506 18521 1992 1 3 . 1 1 10 10 ALA CA C 10 55.448 55.448 55.481 -0.033 18521 1993 1 3 . 1 1 10 10 ALA CB C 10 17.791 17.791 18.297 -0.506 18521 1994 1 3 . 1 1 10 10 ALA H H 10 7.802 7.802 8.514 -0.712 18521 1995 1 3 . 1 1 11 11 THR N N 11 116.946 116.946 116.125 0.821 18521 1996 1 3 . 1 1 11 11 THR HA H 11 3.821 3.821 3.943 -0.122 18521 1997 1 3 . 1 1 11 11 THR C C 11 175.702 175.702 176.565 -0.863 18521 1998 1 3 . 1 1 11 11 THR CA C 11 66.531 66.531 67.641 -1.110 18521 1999 1 3 . 1 1 11 11 THR CB C 11 68.493 68.493 68.867 -0.374 18521 2000 1 3 . 1 1 11 11 THR H H 11 8.187 8.187 8.550 -0.363 18521 2001 1 3 . 1 1 12 12 ALA N N 12 125.357 125.357 123.814 1.543 18521 2002 1 3 . 1 1 12 12 ALA HA H 12 4.003 4.003 4.061 -0.058 18521 2003 1 3 . 1 1 12 12 ALA C C 12 179.401 179.401 179.326 0.075 18521 2004 1 3 . 1 1 12 12 ALA CA C 12 56.083 56.083 55.258 0.825 18521 2005 1 3 . 1 1 12 12 ALA CB C 12 18.855 18.855 18.265 0.590 18521 2006 1 3 . 1 1 12 12 ALA H H 12 8.641 8.641 8.145 0.496 18521 2007 1 3 . 1 1 13 13 LYS N N 13 117.246 117.246 116.983 0.263 18521 2008 1 3 . 1 1 13 13 LYS HA H 13 3.964 3.964 4.257 -0.293 18521 2009 1 3 . 1 1 13 13 LYS C C 13 180.132 180.132 178.370 1.762 18521 2010 1 3 . 1 1 13 13 LYS CA C 13 58.991 58.991 59.152 -0.161 18521 2011 1 3 . 1 1 13 13 LYS CB C 13 32.014 32.014 32.067 -0.053 18521 2012 1 3 . 1 1 13 13 LYS H H 13 7.961 7.961 7.688 0.273 18521 2013 1 3 . 1 1 14 14 ASP N N 14 122.162 122.162 119.647 2.515 18521 2014 1 3 . 1 1 14 14 ASP HA H 14 4.355 4.355 4.411 -0.056 18521 2015 1 3 . 1 1 14 14 ASP C C 14 179.394 179.394 178.282 1.112 18521 2016 1 3 . 1 1 14 14 ASP CA C 14 57.524 57.524 56.891 0.633 18521 2017 1 3 . 1 1 14 14 ASP CB C 14 39.984 39.984 40.460 -0.476 18521 2018 1 3 . 1 1 14 14 ASP H H 14 7.702 7.702 7.879 -0.177 18521 2019 1 3 . 1 1 15 15 PHE N N 15 119.552 119.552 118.042 1.510 18521 2020 1 3 . 1 1 15 15 PHE HA H 15 4.307 4.307 4.214 0.093 18521 2021 1 3 . 1 1 15 15 PHE C C 15 178.383 178.383 177.862 0.521 18521 2022 1 3 . 1 1 15 15 PHE CA C 15 62.313 62.313 61.480 0.833 18521 2023 1 3 . 1 1 15 15 PHE CB C 15 37.340 37.340 38.781 -1.441 18521 2024 1 3 . 1 1 15 15 PHE H H 15 7.970 7.970 7.709 0.261 18521 2025 1 3 . 1 1 16 16 ASP N N 16 121.464 121.464 119.634 1.830 18521 2026 1 3 . 1 1 16 16 ASP HA H 16 4.016 4.016 4.450 -0.434 18521 2027 1 3 . 1 1 16 16 ASP C C 16 179.923 179.923 179.224 0.699 18521 2028 1 3 . 1 1 16 16 ASP CA C 16 58.030 58.030 57.318 0.712 18521 2029 1 3 . 1 1 16 16 ASP CB C 16 41.407 41.407 40.167 1.240 18521 2030 1 3 . 1 1 16 16 ASP H H 16 8.259 8.259 7.816 0.443 18521 2031 1 3 . 1 1 17 17 LYS N N 17 118.806 118.806 120.612 -1.806 18521 2032 1 3 . 1 1 17 17 LYS HA H 17 4.047 4.047 4.109 -0.062 18521 2033 1 3 . 1 1 17 17 LYS C C 17 178.432 178.432 177.794 0.638 18521 2034 1 3 . 1 1 17 17 LYS CA C 17 59.018 59.018 59.122 -0.104 18521 2035 1 3 . 1 1 17 17 LYS CB C 17 32.592 32.592 32.651 -0.059 18521 2036 1 3 . 1 1 17 17 LYS H H 17 7.842 7.842 7.617 0.225 18521 2037 1 3 . 1 1 18 18 VAL N N 18 110.416 110.416 117.052 -6.636 18521 2038 1 3 . 1 1 18 18 VAL HA H 18 4.523 4.523 4.080 0.443 18521 2039 1 3 . 1 1 18 18 VAL C C 18 176.089 176.089 175.695 0.394 18521 2040 1 3 . 1 1 18 18 VAL CA C 18 60.797 60.797 62.892 -2.095 18521 2041 1 3 . 1 1 18 18 VAL CB C 18 31.194 31.194 32.261 -1.067 18521 2042 1 3 . 1 1 18 18 VAL H H 18 7.198 7.198 7.321 -0.123 18521 2043 1 3 . 1 1 19 19 GLY N N 19 109.008 109.008 107.498 1.510 18521 2044 1 3 . 1 1 19 19 GLY C C 19 175.070 175.070 174.713 0.357 18521 2045 1 3 . 1 1 19 19 GLY CA C 19 45.842 45.842 45.401 0.441 18521 2046 1 3 . 1 1 19 19 GLY H H 19 7.731 7.731 7.673 0.058 18521 2047 1 3 . 1 1 20 20 LEU N N 20 125.244 125.244 123.084 2.160 18521 2048 1 3 . 1 1 20 20 LEU HA H 20 4.938 4.938 4.611 0.327 18521 2049 1 3 . 1 1 20 20 LEU C C 20 177.890 177.890 176.945 0.945 18521 2050 1 3 . 1 1 20 20 LEU CA C 20 52.674 52.674 53.192 -0.518 18521 2051 1 3 . 1 1 20 20 LEU CB C 20 40.239 40.239 39.996 0.243 18521 2052 1 3 . 1 1 20 20 LEU H H 20 8.102 8.102 8.294 -0.192 18521 2053 1 3 . 1 1 21 21 GLY N N 21 108.031 108.031 109.771 -1.740 18521 2054 1 3 . 1 1 21 21 GLY C C 21 176.174 176.174 175.884 0.290 18521 2055 1 3 . 1 1 21 21 GLY CA C 21 47.352 47.352 47.416 -0.064 18521 2056 1 3 . 1 1 21 21 GLY H H 21 8.046 8.046 8.000 0.046 18521 2057 1 3 . 1 1 22 22 ILE N N 22 121.173 121.173 121.948 -0.775 18521 2058 1 3 . 1 1 22 22 ILE HA H 22 3.944 3.944 3.698 0.246 18521 2059 1 3 . 1 1 22 22 ILE C C 22 176.119 176.119 177.636 -1.517 18521 2060 1 3 . 1 1 22 22 ILE CA C 22 61.179 61.179 64.688 -3.509 18521 2061 1 3 . 1 1 22 22 ILE CB C 22 35.934 35.934 37.908 -1.974 18521 2062 1 3 . 1 1 22 22 ILE H H 22 8.395 8.395 8.060 0.335 18521 2063 1 3 . 1 1 23 23 ILE N N 23 120.647 120.647 120.267 0.380 18521 2064 1 3 . 1 1 23 23 ILE HA H 23 3.713 3.713 3.839 -0.126 18521 2065 1 3 . 1 1 23 23 ILE C C 23 178.458 178.458 178.504 -0.046 18521 2066 1 3 . 1 1 23 23 ILE CA C 23 64.266 64.266 62.264 2.002 18521 2067 1 3 . 1 1 23 23 ILE CB C 23 36.272 36.272 36.206 0.066 18521 2068 1 3 . 1 1 23 23 ILE H H 23 6.824 6.824 7.410 -0.586 18521 2069 1 3 . 1 1 24 24 GLY N N 24 103.326 103.326 107.827 -4.501 18521 2070 1 3 . 1 1 24 24 GLY C C 24 174.914 174.914 175.639 -0.725 18521 2071 1 3 . 1 1 24 24 GLY CA C 24 47.998 47.998 47.057 0.941 18521 2072 1 3 . 1 1 24 24 GLY H H 24 7.412 7.412 7.803 -0.391 18521 2073 1 3 . 1 1 25 25 TYR N N 25 124.188 124.188 124.079 0.109 18521 2074 1 3 . 1 1 25 25 TYR HA H 25 3.734 3.734 3.783 -0.049 18521 2075 1 3 . 1 1 25 25 TYR C C 25 176.055 176.055 177.207 -1.152 18521 2076 1 3 . 1 1 25 25 TYR CA C 25 60.962 60.962 60.651 0.311 18521 2077 1 3 . 1 1 25 25 TYR CB C 25 37.888 37.888 37.638 0.250 18521 2078 1 3 . 1 1 25 25 TYR H H 25 7.861 7.861 8.207 -0.346 18521 2079 1 3 . 1 1 26 26 TYR N N 26 117.390 117.390 117.426 -0.036 18521 2080 1 3 . 1 1 26 26 TYR HA H 26 3.881 3.881 3.927 -0.046 18521 2081 1 3 . 1 1 26 26 TYR C C 26 178.653 178.653 177.939 0.714 18521 2082 1 3 . 1 1 26 26 TYR CA C 26 64.270 64.270 62.371 1.899 18521 2083 1 3 . 1 1 26 26 TYR CB C 26 37.453 37.453 38.182 -0.729 18521 2084 1 3 . 1 1 26 26 TYR H H 26 7.594 7.594 7.546 0.048 18521 2085 1 3 . 1 1 27 27 LEU N N 27 118.536 118.536 119.481 -0.945 18521 2086 1 3 . 1 1 27 27 LEU HA H 27 4.277 4.277 3.795 0.482 18521 2087 1 3 . 1 1 27 27 LEU C C 27 179.025 179.025 178.951 0.074 18521 2088 1 3 . 1 1 27 27 LEU CA C 27 58.382 58.382 58.271 0.111 18521 2089 1 3 . 1 1 27 27 LEU CB C 27 42.595 42.595 41.024 1.571 18521 2090 1 3 . 1 1 27 27 LEU H H 27 8.226 8.226 7.912 0.314 18521 2091 1 3 . 1 1 28 28 GLN N N 28 119.110 119.110 117.851 1.259 18521 2092 1 3 . 1 1 28 28 GLN HA H 28 3.665 3.665 3.822 -0.157 18521 2093 1 3 . 1 1 28 28 GLN C C 28 177.406 177.406 178.388 -0.982 18521 2094 1 3 . 1 1 28 28 GLN CA C 28 60.626 60.626 58.956 1.669 18521 2095 1 3 . 1 1 28 28 GLN CB C 28 28.959 28.959 28.532 0.427 18521 2096 1 3 . 1 1 28 28 GLN H H 28 8.007 8.007 8.147 -0.140 18521 2097 1 3 . 1 1 29 29 LEU N N 29 121.623 121.623 120.984 0.639 18521 2098 1 3 . 1 1 29 29 LEU HA H 29 3.718 3.718 3.871 -0.153 18521 2099 1 3 . 1 1 29 29 LEU C C 29 179.706 179.706 178.130 1.576 18521 2100 1 3 . 1 1 29 29 LEU CA C 29 58.382 58.382 57.573 0.809 18521 2101 1 3 . 1 1 29 29 LEU CB C 29 42.114 42.114 41.431 0.683 18521 2102 1 3 . 1 1 29 29 LEU H H 29 7.938 7.938 7.277 0.661 18521 2103 1 3 . 1 1 30 30 TYR N N 30 120.084 120.084 120.780 -0.696 18521 2104 1 3 . 1 1 30 30 TYR HA H 30 4.132 4.132 4.010 0.122 18521 2105 1 3 . 1 1 30 30 TYR C C 30 175.611 175.611 177.163 -1.552 18521 2106 1 3 . 1 1 30 30 TYR CA C 30 58.951 58.951 59.676 -0.725 18521 2107 1 3 . 1 1 30 30 TYR CB C 30 39.302 39.302 37.729 1.573 18521 2108 1 3 . 1 1 30 30 TYR H H 30 7.974 7.974 8.178 -0.204 18521 2109 1 3 . 1 1 31 31 ALA N N 31 121.802 121.802 121.158 0.644 18521 2110 1 3 . 1 1 31 31 ALA HA H 31 3.343 3.343 3.459 -0.116 18521 2111 1 3 . 1 1 31 31 ALA C C 31 178.911 178.911 179.274 -0.363 18521 2112 1 3 . 1 1 31 31 ALA CA C 31 55.429 55.429 54.811 0.618 18521 2113 1 3 . 1 1 31 31 ALA CB C 31 17.895 17.895 17.808 0.087 18521 2114 1 3 . 1 1 31 31 ALA H H 31 8.504 8.504 8.011 0.493 18521 2115 1 3 . 1 1 32 32 VAL N N 32 116.528 116.528 119.012 -2.484 18521 2116 1 3 . 1 1 32 32 VAL HA H 32 3.249 3.249 3.412 -0.163 18521 2117 1 3 . 1 1 32 32 VAL C C 32 176.963 176.963 178.024 -1.061 18521 2118 1 3 . 1 1 32 32 VAL CA C 32 67.723 67.723 67.385 0.338 18521 2119 1 3 . 1 1 32 32 VAL CB C 32 31.403 31.403 31.479 -0.076 18521 2120 1 3 . 1 1 32 32 VAL H H 32 8.027 8.027 7.982 0.045 18521 2121 1 3 . 1 1 33 33 GLU N N 33 118.609 118.609 119.278 -0.669 18521 2122 1 3 . 1 1 33 33 GLU HA H 33 3.804 3.804 3.990 -0.186 18521 2123 1 3 . 1 1 33 33 GLU C C 33 180.234 180.234 179.217 1.017 18521 2124 1 3 . 1 1 33 33 GLU CA C 33 59.446 59.446 59.224 0.222 18521 2125 1 3 . 1 1 33 33 GLU CB C 33 28.711 28.711 29.654 -0.942 18521 2126 1 3 . 1 1 33 33 GLU H H 33 7.299 7.299 7.587 -0.288 18521 2127 1 3 . 1 1 34 34 LEU N N 34 120.831 120.831 121.725 -0.894 18521 2128 1 3 . 1 1 34 34 LEU HA H 34 3.702 3.702 3.837 -0.135 18521 2129 1 3 . 1 1 34 34 LEU C C 34 180.024 180.024 178.558 1.466 18521 2130 1 3 . 1 1 34 34 LEU CA C 34 57.815 57.815 57.922 -0.108 18521 2131 1 3 . 1 1 34 34 LEU CB C 34 42.097 42.097 41.649 0.448 18521 2132 1 3 . 1 1 34 34 LEU H H 34 8.168 8.168 7.568 0.600 18521 2133 1 3 . 1 1 35 35 ILE N N 35 120.733 120.733 118.279 2.454 18521 2134 1 3 . 1 1 35 35 ILE HA H 35 3.589 3.589 3.522 0.067 18521 2135 1 3 . 1 1 35 35 ILE C C 35 178.501 178.501 178.456 0.045 18521 2136 1 3 . 1 1 35 35 ILE CA C 35 65.363 65.363 65.224 0.139 18521 2137 1 3 . 1 1 35 35 ILE CB C 35 38.960 38.960 37.732 1.228 18521 2138 1 3 . 1 1 35 35 ILE H H 35 8.064 8.064 7.773 0.291 18521 2139 1 3 . 1 1 36 36 LEU N N 36 115.519 115.519 118.984 -3.465 18521 2140 1 3 . 1 1 36 36 LEU HA H 36 3.958 3.958 4.018 -0.060 18521 2141 1 3 . 1 1 36 36 LEU C C 36 178.244 178.244 178.168 0.076 18521 2142 1 3 . 1 1 36 36 LEU CA C 36 56.069 56.069 57.239 -1.170 18521 2143 1 3 . 1 1 36 36 LEU CB C 36 40.528 40.528 41.691 -1.163 18521 2144 1 3 . 1 1 36 36 LEU H H 36 8.370 8.370 7.593 0.777 18521 2145 1 3 . 1 1 37 37 SER N N 37 113.976 113.976 111.058 2.918 18521 2146 1 3 . 1 1 37 37 SER HA H 37 4.197 4.197 4.271 -0.074 18521 2147 1 3 . 1 1 37 37 SER C C 37 173.934 173.934 175.077 -1.143 18521 2148 1 3 . 1 1 37 37 SER CA C 37 60.204 60.204 59.572 0.632 18521 2149 1 3 . 1 1 37 37 SER CB C 37 63.507 63.507 63.321 0.186 18521 2150 1 3 . 1 1 37 37 SER H H 37 7.523 7.523 7.882 -0.359 18521 2151 1 3 . 1 1 38 38 GLU N N 38 123.219 123.219 122.299 0.920 18521 2152 1 3 . 1 1 38 38 GLU HA H 38 4.426 4.426 4.304 0.122 18521 2153 1 3 . 1 1 38 38 GLU C C 38 175.767 175.767 176.100 -0.333 18521 2154 1 3 . 1 1 38 38 GLU CA C 38 55.046 55.046 56.386 -1.340 18521 2155 1 3 . 1 1 38 38 GLU CB C 38 30.395 30.395 29.713 0.682 18521 2156 1 3 . 1 1 38 38 GLU H H 38 7.185 7.185 7.513 -0.328 18521 2157 1 3 . 1 1 39 39 GLU N N 39 126.955 126.955 124.343 2.612 18521 2158 1 3 . 1 1 39 39 GLU HA H 39 3.985 3.985 4.100 -0.115 18521 2159 1 3 . 1 1 39 39 GLU C C 39 176.861 176.861 176.339 0.522 18521 2160 1 3 . 1 1 39 39 GLU CA C 39 58.331 58.331 58.391 -0.060 18521 2161 1 3 . 1 1 39 39 GLU CB C 39 30.008 30.008 30.107 -0.099 18521 2162 1 3 . 1 1 39 39 GLU H H 39 8.632 8.632 8.658 -0.026 18521 2163 1 3 . 1 1 40 40 ASP N N 40 119.763 119.763 119.448 0.315 18521 2164 1 3 . 1 1 40 40 ASP HA H 40 4.616 4.616 4.787 -0.171 18521 2165 1 3 . 1 1 40 40 ASP C C 40 174.989 174.989 175.360 -0.371 18521 2166 1 3 . 1 1 40 40 ASP CA C 40 53.281 53.281 54.053 -0.772 18521 2167 1 3 . 1 1 40 40 ASP CB C 40 39.814 39.814 41.059 -1.245 18521 2168 1 3 . 1 1 40 40 ASP H H 40 8.560 8.560 8.378 0.182 18521 2169 1 3 . 1 1 41 41 ARG N N 41 119.595 119.595 122.293 -2.698 18521 2170 1 3 . 1 1 41 41 ARG HA H 41 4.390 4.390 4.596 -0.206 18521 2171 1 3 . 1 1 41 41 ARG C C 41 175.553 175.553 174.840 0.713 18521 2172 1 3 . 1 1 41 41 ARG CA C 41 54.707 54.707 55.360 -0.653 18521 2173 1 3 . 1 1 41 41 ARG CB C 41 31.865 31.865 33.463 -1.598 18521 2174 1 3 . 1 1 41 41 ARG H H 41 7.443 7.443 8.559 -1.116 18521 2175 1 3 . 1 1 42 42 SER N N 42 119.463 119.463 118.123 1.340 18521 2176 1 3 . 1 1 42 42 SER HA H 42 4.381 4.381 4.721 -0.340 18521 2177 1 3 . 1 1 42 42 SER C C 42 175.361 175.361 174.697 0.664 18521 2178 1 3 . 1 1 42 42 SER CA C 42 57.137 57.137 56.751 0.386 18521 2179 1 3 . 1 1 42 42 SER CB C 42 65.166 65.166 65.402 -0.236 18521 2180 1 3 . 1 1 42 42 SER H H 42 8.556 8.556 8.238 0.318 18521 2181 1 3 . 1 1 43 43 GLN N N 43 122.535 122.535 122.848 -0.313 18521 2182 1 3 . 1 1 43 43 GLN HA H 43 4.018 4.018 4.001 0.017 18521 2183 1 3 . 1 1 43 43 GLN C C 43 178.768 178.768 177.945 0.823 18521 2184 1 3 . 1 1 43 43 GLN CA C 43 59.073 59.073 59.349 -0.276 18521 2185 1 3 . 1 1 43 43 GLN CB C 43 27.871 27.871 28.578 -0.707 18521 2186 1 3 . 1 1 43 43 GLN H H 43 9.087 9.087 8.859 0.228 18521 2187 1 3 . 1 1 44 44 GLU N N 44 120.308 120.308 118.959 1.349 18521 2188 1 3 . 1 1 44 44 GLU HA H 44 3.982 3.982 4.142 -0.160 18521 2189 1 3 . 1 1 44 44 GLU C C 44 179.737 179.737 178.876 0.861 18521 2190 1 3 . 1 1 44 44 GLU CA C 44 60.142 60.142 59.373 0.769 18521 2191 1 3 . 1 1 44 44 GLU CB C 44 28.801 28.801 29.043 -0.242 18521 2192 1 3 . 1 1 44 44 GLU H H 44 8.958 8.958 8.829 0.129 18521 2193 1 3 . 1 1 45 45 MET N N 45 120.968 120.968 118.361 2.607 18521 2194 1 3 . 1 1 45 45 MET HA H 45 4.432 4.432 4.204 0.228 18521 2195 1 3 . 1 1 45 45 MET C C 45 178.153 178.153 178.767 -0.614 18521 2196 1 3 . 1 1 45 45 MET CA C 45 57.117 57.117 58.815 -1.698 18521 2197 1 3 . 1 1 45 45 MET CB C 45 32.517 32.517 32.546 -0.029 18521 2198 1 3 . 1 1 45 45 MET H H 45 7.740 7.740 7.937 -0.197 18521 2199 1 3 . 1 1 46 46 THR N N 46 120.159 120.159 115.973 4.186 18521 2200 1 3 . 1 1 46 46 THR HA H 46 3.620 3.620 3.960 -0.340 18521 2201 1 3 . 1 1 46 46 THR C C 46 176.389 176.389 176.408 -0.019 18521 2202 1 3 . 1 1 46 46 THR CA C 46 67.416 67.416 66.741 0.675 18521 2203 1 3 . 1 1 46 46 THR CB C 46 68.208 68.208 68.527 -0.319 18521 2204 1 3 . 1 1 46 46 THR H H 46 8.190 8.190 8.559 -0.369 18521 2205 1 3 . 1 1 47 47 ALA N N 47 124.729 124.729 123.979 0.750 18521 2206 1 3 . 1 1 47 47 ALA HA H 47 4.060 4.060 4.129 -0.069 18521 2207 1 3 . 1 1 47 47 ALA C C 47 179.554 179.554 179.255 0.299 18521 2208 1 3 . 1 1 47 47 ALA CA C 47 55.195 55.195 54.868 0.327 18521 2209 1 3 . 1 1 47 47 ALA CB C 47 17.654 17.654 18.152 -0.498 18521 2210 1 3 . 1 1 47 47 ALA H H 47 8.292 8.292 8.035 0.257 18521 2211 1 3 . 1 1 48 48 LEU N N 48 122.244 122.244 120.755 1.489 18521 2212 1 3 . 1 1 48 48 LEU HA H 48 4.195 4.195 4.056 0.139 18521 2213 1 3 . 1 1 48 48 LEU C C 48 178.022 178.022 178.455 -0.433 18521 2214 1 3 . 1 1 48 48 LEU CA C 48 57.695 57.695 57.466 0.229 18521 2215 1 3 . 1 1 48 48 LEU CB C 48 41.236 41.236 41.660 -0.424 18521 2216 1 3 . 1 1 48 48 LEU H H 48 7.723 7.723 7.787 -0.064 18521 2217 1 3 . 1 1 49 49 ALA N N 49 120.883 120.883 120.197 0.686 18521 2218 1 3 . 1 1 49 49 ALA HA H 49 3.854 3.854 3.912 -0.058 18521 2219 1 3 . 1 1 49 49 ALA C C 49 178.770 178.770 179.364 -0.594 18521 2220 1 3 . 1 1 49 49 ALA CA C 49 55.836 55.836 55.095 0.741 18521 2221 1 3 . 1 1 49 49 ALA CB C 49 17.137 17.137 18.176 -1.039 18521 2222 1 3 . 1 1 49 49 ALA H H 49 8.210 8.210 7.837 0.373 18521 2223 1 3 . 1 1 50 50 THR N N 50 113.676 113.676 115.145 -1.469 18521 2224 1 3 . 1 1 50 50 THR HA H 50 3.765 3.765 3.871 -0.106 18521 2225 1 3 . 1 1 50 50 THR C C 50 175.836 175.836 176.352 -0.516 18521 2226 1 3 . 1 1 50 50 THR CA C 50 66.975 66.975 67.419 -0.444 18521 2227 1 3 . 1 1 50 50 THR CB C 50 68.976 68.976 68.559 0.417 18521 2228 1 3 . 1 1 50 50 THR H H 50 7.891 7.891 7.555 0.336 18521 2229 1 3 . 1 1 51 51 GLU N N 51 123.445 123.445 121.801 1.644 18521 2230 1 3 . 1 1 51 51 GLU HA H 51 4.221 4.221 4.016 0.205 18521 2231 1 3 . 1 1 51 51 GLU C C 51 179.906 179.906 178.828 1.078 18521 2232 1 3 . 1 1 51 51 GLU CA C 51 59.436 59.436 59.415 0.021 18521 2233 1 3 . 1 1 51 51 GLU CB C 51 29.498 29.498 29.555 -0.057 18521 2234 1 3 . 1 1 51 51 GLU H H 51 7.877 7.877 7.710 0.167 18521 2235 1 3 . 1 1 52 52 LEU N N 52 121.629 121.629 119.252 2.377 18521 2236 1 3 . 1 1 52 52 LEU HA H 52 3.907 3.907 4.022 -0.115 18521 2237 1 3 . 1 1 52 52 LEU C C 52 178.993 178.993 179.088 -0.095 18521 2238 1 3 . 1 1 52 52 LEU CA C 52 57.840 57.840 57.565 0.275 18521 2239 1 3 . 1 1 52 52 LEU CB C 52 42.076 42.076 41.817 0.259 18521 2240 1 3 . 1 1 52 52 LEU H H 52 8.670 8.670 7.413 1.257 18521 2241 1 3 . 1 1 53 53 LEU N N 53 119.996 119.996 119.125 0.871 18521 2242 1 3 . 1 1 53 53 LEU HA H 53 3.949 3.949 3.830 0.119 18521 2243 1 3 . 1 1 53 53 LEU C C 53 179.950 179.950 178.602 1.348 18521 2244 1 3 . 1 1 53 53 LEU CA C 53 58.480 58.480 58.227 0.253 18521 2245 1 3 . 1 1 53 53 LEU CB C 53 41.341 41.341 40.899 0.442 18521 2246 1 3 . 1 1 53 53 LEU H H 53 8.336 8.336 7.581 0.755 18521 2247 1 3 . 1 1 54 54 ASP N N 54 120.632 120.632 118.186 2.446 18521 2248 1 3 . 1 1 54 54 ASP HA H 54 4.409 4.409 4.370 0.039 18521 2249 1 3 . 1 1 54 54 ASP C C 54 179.383 179.383 178.729 0.654 18521 2250 1 3 . 1 1 54 54 ASP CA C 54 57.510 57.510 57.349 0.161 18521 2251 1 3 . 1 1 54 54 ASP CB C 54 40.275 40.275 40.412 -0.137 18521 2252 1 3 . 1 1 54 54 ASP H H 54 7.884 7.884 7.782 0.102 18521 2253 1 3 . 1 1 55 55 THR N N 55 121.006 121.006 117.297 3.709 18521 2254 1 3 . 1 1 55 55 THR HA H 55 3.923 3.923 4.068 -0.145 18521 2255 1 3 . 1 1 55 55 THR C C 55 177.066 177.066 176.962 0.104 18521 2256 1 3 . 1 1 55 55 THR CA C 55 67.018 67.018 67.337 -0.319 18521 2257 1 3 . 1 1 55 55 THR CB C 55 68.725 68.725 68.954 -0.229 18521 2258 1 3 . 1 1 55 55 THR H H 55 8.279 8.279 7.378 0.901 18521 2259 1 3 . 1 1 56 56 ILE N N 56 125.465 125.465 123.168 2.297 18521 2260 1 3 . 1 1 56 56 ILE HA H 56 3.748 3.748 3.820 -0.072 18521 2261 1 3 . 1 1 56 56 ILE C C 56 177.879 177.879 178.121 -0.242 18521 2262 1 3 . 1 1 56 56 ILE CA C 56 65.765 65.765 66.638 -0.873 18521 2263 1 3 . 1 1 56 56 ILE CB C 56 38.646 38.646 37.925 0.721 18521 2264 1 3 . 1 1 56 56 ILE H H 56 8.872 8.872 8.624 0.248 18521 2265 1 3 . 1 1 57 57 GLU N N 57 119.951 119.951 119.448 0.503 18521 2266 1 3 . 1 1 57 57 GLU HA H 57 4.034 4.034 3.999 0.035 18521 2267 1 3 . 1 1 57 57 GLU C C 57 179.357 179.357 179.069 0.288 18521 2268 1 3 . 1 1 57 57 GLU CA C 57 59.241 59.241 59.763 -0.522 18521 2269 1 3 . 1 1 57 57 GLU CB C 57 29.226 29.226 29.438 -0.212 18521 2270 1 3 . 1 1 57 57 GLU H H 57 8.024 8.024 8.586 -0.562 18521 2271 1 3 . 1 1 58 58 ALA N N 58 122.402 122.402 122.773 -0.371 18521 2272 1 3 . 1 1 58 58 ALA HA H 58 4.044 4.044 4.158 -0.114 18521 2273 1 3 . 1 1 58 58 ALA C C 58 180.049 180.049 179.567 0.482 18521 2274 1 3 . 1 1 58 58 ALA CA C 58 55.167 55.167 54.990 0.177 18521 2275 1 3 . 1 1 58 58 ALA CB C 58 17.836 17.836 18.371 -0.535 18521 2276 1 3 . 1 1 58 58 ALA H H 58 8.026 8.026 8.208 -0.182 18521 2277 1 3 . 1 1 59 59 PHE N N 59 122.034 122.034 120.641 1.393 18521 2278 1 3 . 1 1 59 59 PHE HA H 59 4.165 4.165 4.167 -0.002 18521 2279 1 3 . 1 1 59 59 PHE C C 59 177.169 177.169 177.281 -0.112 18521 2280 1 3 . 1 1 59 59 PHE CA C 59 61.373 61.373 61.419 -0.046 18521 2281 1 3 . 1 1 59 59 PHE CB C 59 39.384 39.384 39.545 -0.161 18521 2282 1 3 . 1 1 59 59 PHE H H 59 8.243 8.243 8.924 -0.681 18521 2283 1 3 . 1 1 60 60 LYS N N 60 117.415 117.415 119.559 -2.144 18521 2284 1 3 . 1 1 60 60 LYS HA H 60 3.490 3.490 3.675 -0.185 18521 2285 1 3 . 1 1 60 60 LYS C C 60 179.705 179.705 178.734 0.971 18521 2286 1 3 . 1 1 60 60 LYS CA C 60 60.051 60.051 59.535 0.516 18521 2287 1 3 . 1 1 60 60 LYS CB C 60 32.376 32.376 32.528 -0.152 18521 2288 1 3 . 1 1 60 60 LYS H H 60 7.978 7.978 8.575 -0.597 18521 2289 1 3 . 1 1 61 61 LYS N N 61 119.540 119.540 117.814 1.726 18521 2290 1 3 . 1 1 61 61 LYS HA H 61 3.942 3.942 3.947 -0.005 18521 2291 1 3 . 1 1 61 61 LYS C C 61 178.728 178.728 178.818 -0.090 18521 2292 1 3 . 1 1 61 61 LYS CA C 61 58.878 58.878 59.624 -0.746 18521 2293 1 3 . 1 1 61 61 LYS CB C 61 32.626 32.626 32.256 0.370 18521 2294 1 3 . 1 1 61 61 LYS H H 61 7.853 7.853 8.078 -0.225 18521 2295 1 3 . 1 1 62 62 GLU N N 62 121.166 121.166 117.238 3.928 18521 2296 1 3 . 1 1 62 62 GLU HA H 62 3.933 3.933 4.020 -0.087 18521 2297 1 3 . 1 1 62 62 GLU C C 62 178.405 178.405 177.278 1.127 18521 2298 1 3 . 1 1 62 62 GLU CA C 62 58.655 58.655 58.467 0.188 18521 2299 1 3 . 1 1 62 62 GLU CB C 62 29.439 29.439 29.661 -0.222 18521 2300 1 3 . 1 1 62 62 GLU H H 62 7.956 7.956 7.685 0.271 18521 2301 1 3 . 1 1 63 63 ILE N N 63 117.896 117.896 116.728 1.168 18521 2302 1 3 . 1 1 63 63 ILE HA H 63 3.707 3.707 4.120 -0.413 18521 2303 1 3 . 1 1 63 63 ILE C C 63 177.438 177.438 176.704 0.734 18521 2304 1 3 . 1 1 63 63 ILE CA C 63 61.473 61.473 60.307 1.166 18521 2305 1 3 . 1 1 63 63 ILE CB C 63 36.546 36.546 38.930 -2.384 18521 2306 1 3 . 1 1 63 63 ILE H H 63 7.652 7.652 7.298 0.354 18521 2307 1 3 . 1 1 64 64 GLY N N 64 108.028 108.028 109.173 -1.145 18521 2308 1 3 . 1 1 64 64 GLY C C 64 175.261 175.261 175.180 0.081 18521 2309 1 3 . 1 1 64 64 GLY CA C 64 45.891 45.891 46.634 -0.743 18521 2310 1 3 . 1 1 64 64 GLY H H 64 7.654 7.654 8.171 -0.517 18521 2311 1 3 . 1 1 65 65 GLY N N 65 108.488 108.488 107.492 0.996 18521 2312 1 3 . 1 1 65 65 GLY C C 65 174.844 174.844 174.932 -0.088 18521 2313 1 3 . 1 1 65 65 GLY CA C 65 45.608 45.608 45.057 0.551 18521 2314 1 3 . 1 1 65 65 GLY H H 65 7.817 7.817 8.053 -0.236 18521 2315 1 3 . 1 1 66 66 GLU N N 66 121.078 121.078 119.302 1.776 18521 2316 1 3 . 1 1 66 66 GLU HA H 66 4.167 4.167 4.079 0.088 18521 2317 1 3 . 1 1 66 66 GLU C C 66 177.218 177.218 176.817 0.401 18521 2318 1 3 . 1 1 66 66 GLU CA C 66 57.075 57.075 58.749 -1.674 18521 2319 1 3 . 1 1 66 66 GLU CB C 66 30.015 30.015 29.746 0.269 18521 2320 1 3 . 1 1 66 66 GLU H H 66 8.195 8.195 8.584 -0.389 18521 2321 1 3 . 1 1 67 67 SER N N 67 116.370 116.370 110.997 5.373 18521 2322 1 3 . 1 1 67 67 SER HA H 67 4.187 4.187 4.465 -0.278 18521 2323 1 3 . 1 1 67 67 SER C C 67 174.670 174.670 175.337 -0.667 18521 2324 1 3 . 1 1 67 67 SER CA C 67 58.875 58.875 59.771 -0.896 18521 2325 1 3 . 1 1 67 67 SER CB C 67 63.783 63.783 63.830 -0.047 18521 2326 1 3 . 1 1 67 67 SER H H 67 8.205 8.205 8.248 -0.043 18521 2327 1 3 . 1 1 68 68 GLU N N 68 122.388 122.388 121.976 0.412 18521 2328 1 3 . 1 1 68 68 GLU HA H 68 4.173 4.173 4.085 0.088 18521 2329 1 3 . 1 1 68 68 GLU C C 68 176.364 176.364 177.860 -1.496 18521 2330 1 3 . 1 1 68 68 GLU CA C 68 56.734 56.734 59.087 -2.353 18521 2331 1 3 . 1 1 68 68 GLU CB C 68 29.986 29.986 29.400 0.586 18521 2332 1 3 . 1 1 68 68 GLU H H 68 8.170 8.170 8.742 -0.572 18521 2333 1 3 . 1 1 69 69 ALA N N 69 124.265 124.265 120.452 3.813 18521 2334 1 3 . 1 1 69 69 ALA HA H 69 4.212 4.212 4.307 -0.095 18521 2335 1 3 . 1 1 69 69 ALA C C 69 178.042 178.042 178.537 -0.495 18521 2336 1 3 . 1 1 69 69 ALA CA C 69 52.468 52.468 54.540 -2.072 18521 2337 1 3 . 1 1 69 69 ALA CB C 69 19.411 19.411 18.351 1.060 18521 2338 1 3 . 1 1 69 69 ALA H H 69 7.931 7.931 7.257 0.674 18521 2339 1 3 . 1 1 70 70 GLU N N 70 121.086 121.086 117.601 3.485 18521 2340 1 3 . 1 1 70 70 GLU HA H 70 4.110 4.110 4.003 0.107 18521 2341 1 3 . 1 1 70 70 GLU C C 70 180.047 180.047 177.824 2.223 18521 2342 1 3 . 1 1 70 70 GLU CA C 70 57.325 57.325 58.836 -1.511 18521 2343 1 3 . 1 1 70 70 GLU CB C 70 29.969 29.969 29.758 0.211 18521 2344 1 3 . 1 1 70 70 GLU H H 70 8.447 8.447 7.786 0.661 18521 2345 1 3 . 1 1 71 71 ASP N N 71 120.210 120.210 117.877 2.333 18521 2346 1 3 . 1 1 71 71 ASP HA H 71 4.545 4.545 4.489 0.056 18521 2347 1 3 . 1 1 71 71 ASP C C 71 176.385 176.385 176.829 -0.444 18521 2348 1 3 . 1 1 71 71 ASP CA C 71 54.149 54.149 56.318 -2.169 18521 2349 1 3 . 1 1 71 71 ASP CB C 71 40.756 40.756 41.185 -0.429 18521 2350 1 3 . 1 1 71 71 ASP H H 71 8.308 8.308 7.505 0.803 18521 2351 1 3 . 1 1 72 72 SER N N 72 116.137 116.137 113.381 2.756 18521 2352 1 3 . 1 1 72 72 SER HA H 72 4.259 4.259 4.650 -0.391 18521 2353 1 3 . 1 1 72 72 SER C C 72 174.578 174.578 173.105 1.473 18521 2354 1 3 . 1 1 72 72 SER CA C 72 58.851 58.851 57.643 1.208 18521 2355 1 3 . 1 1 72 72 SER CB C 72 63.870 63.870 63.197 0.673 18521 2356 1 3 . 1 1 72 72 SER H H 72 7.954 7.954 7.848 0.106 18521 2357 1 3 . 1 1 73 73 ASP N N 73 122.500 122.500 124.299 -1.799 18521 2358 1 3 . 1 1 73 73 ASP HA H 73 4.534 4.534 4.748 -0.214 18521 2359 1 3 . 1 1 73 73 ASP C C 73 176.903 176.903 176.291 0.612 18521 2360 1 3 . 1 1 73 73 ASP CA C 73 54.442 54.442 54.439 0.003 18521 2361 1 3 . 1 1 73 73 ASP CB C 73 41.253 41.253 40.300 0.953 18521 2362 1 3 . 1 1 73 73 ASP H H 73 8.384 8.384 8.829 -0.445 18521 2363 1 3 . 1 1 74 74 LYS N N 74 123.374 123.374 120.004 3.370 18521 2364 1 3 . 1 1 74 74 LYS HA H 74 4.099 4.099 4.369 -0.270 18521 2365 1 3 . 1 1 74 74 LYS C C 74 177.606 177.606 178.516 -0.910 18521 2366 1 3 . 1 1 74 74 LYS CA C 74 57.527 57.527 58.111 -0.584 18521 2367 1 3 . 1 1 74 74 LYS CB C 74 32.115 32.115 33.515 -1.400 18521 2368 1 3 . 1 1 74 74 LYS H H 74 8.338 8.338 7.601 0.737 18521 2369 1 3 . 1 1 75 75 SER N N 75 116.404 116.404 115.584 0.820 18521 2370 1 3 . 1 1 75 75 SER HA H 75 4.190 4.190 4.253 -0.063 18521 2371 1 3 . 1 1 75 75 SER C C 75 176.030 176.030 176.418 -0.388 18521 2372 1 3 . 1 1 75 75 SER CA C 75 60.560 60.560 61.138 -0.578 18521 2373 1 3 . 1 1 75 75 SER CB C 75 62.971 62.971 63.246 -0.275 18521 2374 1 3 . 1 1 75 75 SER H H 75 8.409 8.409 8.207 0.202 18521 2375 1 3 . 1 1 76 76 LEU N N 76 123.753 123.753 123.164 0.589 18521 2376 1 3 . 1 1 76 76 LEU HA H 76 4.121 4.121 3.997 0.124 18521 2377 1 3 . 1 1 76 76 LEU C C 76 178.263 178.263 177.993 0.270 18521 2378 1 3 . 1 1 76 76 LEU CA C 76 56.665 56.665 57.297 -0.632 18521 2379 1 3 . 1 1 76 76 LEU CB C 76 41.538 41.538 41.694 -0.156 18521 2380 1 3 . 1 1 76 76 LEU H H 76 8.068 8.068 7.789 0.279 18521 2381 1 3 . 1 1 77 77 HIS N N 77 120.235 120.235 118.118 2.117 18521 2382 1 3 . 1 1 77 77 HIS HA H 77 4.372 4.372 4.149 0.223 18521 2383 1 3 . 1 1 77 77 HIS C C 77 177.974 177.974 177.034 0.940 18521 2384 1 3 . 1 1 77 77 HIS CA C 77 58.504 58.504 60.043 -1.539 18521 2385 1 3 . 1 1 77 77 HIS CB C 77 30.124 30.124 29.692 0.432 18521 2386 1 3 . 1 1 77 77 HIS H H 77 7.955 7.955 7.983 -0.028 18521 2387 1 3 . 1 1 78 78 VAL N N 78 121.721 121.721 120.808 0.913 18521 2388 1 3 . 1 1 78 78 VAL HA H 78 3.612 3.612 3.867 -0.255 18521 2389 1 3 . 1 1 78 78 VAL C C 78 177.688 177.688 178.235 -0.547 18521 2390 1 3 . 1 1 78 78 VAL CA C 78 65.817 65.817 65.684 0.133 18521 2391 1 3 . 1 1 78 78 VAL CB C 78 31.729 31.729 31.354 0.375 18521 2392 1 3 . 1 1 78 78 VAL H H 78 7.953 7.953 7.495 0.458 18521 2393 1 3 . 1 1 79 79 MET N N 79 119.138 119.138 119.257 -0.119 18521 2394 1 3 . 1 1 79 79 MET HA H 79 3.879 3.879 3.949 -0.070 18521 2395 1 3 . 1 1 79 79 MET C C 79 180.609 180.609 178.062 2.547 18521 2396 1 3 . 1 1 79 79 MET CA C 79 59.210 59.210 59.347 -0.137 18521 2397 1 3 . 1 1 79 79 MET CB C 79 34.157 34.157 32.237 1.920 18521 2398 1 3 . 1 1 79 79 MET H H 79 8.132 8.132 8.245 -0.113 18521 2399 1 3 . 1 1 80 80 ASN N N 80 117.000 117.000 117.447 -0.447 18521 2400 1 3 . 1 1 80 80 ASN HA H 80 4.161 4.161 4.559 -0.398 18521 2401 1 3 . 1 1 80 80 ASN C C 80 178.212 178.212 177.608 0.604 18521 2402 1 3 . 1 1 80 80 ASN CA C 80 56.827 56.827 56.158 0.669 18521 2403 1 3 . 1 1 80 80 ASN CB C 80 38.920 38.920 37.566 1.354 18521 2404 1 3 . 1 1 80 80 ASN H H 80 8.195 8.195 8.526 -0.331 18521 2405 1 3 . 1 1 81 81 THR N N 81 116.021 116.021 117.566 -1.545 18521 2406 1 3 . 1 1 81 81 THR HA H 81 3.975 3.975 3.978 -0.003 18521 2407 1 3 . 1 1 81 81 THR C C 81 175.237 175.237 176.371 -1.134 18521 2408 1 3 . 1 1 81 81 THR CA C 81 66.507 66.507 66.440 0.067 18521 2409 1 3 . 1 1 81 81 THR CB C 81 68.813 68.813 68.649 0.164 18521 2410 1 3 . 1 1 81 81 THR H H 81 7.952 7.952 7.934 0.018 18521 2411 1 3 . 1 1 82 82 LEU N N 82 119.041 119.041 120.550 -1.509 18521 2412 1 3 . 1 1 82 82 LEU HA H 82 4.040 4.040 4.058 -0.018 18521 2413 1 3 . 1 1 82 82 LEU C C 82 177.541 177.541 178.380 -0.839 18521 2414 1 3 . 1 1 82 82 LEU CA C 82 56.468 56.468 57.675 -1.207 18521 2415 1 3 . 1 1 82 82 LEU CB C 82 42.247 42.247 41.884 0.363 18521 2416 1 3 . 1 1 82 82 LEU H H 82 7.655 7.655 7.521 0.134 18521 2417 1 3 . 1 1 83 83 ILE N N 83 118.063 118.063 115.288 2.775 18521 2418 1 3 . 1 1 83 83 ILE HA H 83 3.805 3.805 3.999 -0.194 18521 2419 1 3 . 1 1 83 83 ILE C C 83 176.681 176.681 177.524 -0.843 18521 2420 1 3 . 1 1 83 83 ILE CA C 83 63.188 63.188 63.617 -0.430 18521 2421 1 3 . 1 1 83 83 ILE CB C 83 37.939 37.939 38.571 -0.632 18521 2422 1 3 . 1 1 83 83 ILE H H 83 7.455 7.455 7.173 0.282 18521 2423 1 3 . 1 1 84 84 HIS N N 84 116.118 116.118 115.698 0.420 18521 2424 1 3 . 1 1 84 84 HIS HA H 84 4.568 4.568 4.490 0.078 18521 2425 1 3 . 1 1 84 84 HIS C C 84 175.568 175.568 175.612 -0.044 18521 2426 1 3 . 1 1 84 84 HIS CA C 84 58.425 58.425 58.778 -0.353 18521 2427 1 3 . 1 1 84 84 HIS CB C 84 31.801 31.801 30.992 0.809 18521 2428 1 3 . 1 1 84 84 HIS H H 84 7.168 7.168 8.624 -1.456 18521 2429 1 3 . 1 1 85 85 ASP N N 85 122.411 122.411 119.923 2.488 18521 2430 1 3 . 1 1 85 85 ASP HA H 85 4.546 4.546 4.693 -0.147 18521 2431 1 3 . 1 1 85 85 ASP C C 85 175.527 175.527 176.808 -1.281 18521 2432 1 3 . 1 1 85 85 ASP CA C 85 53.215 53.215 53.570 -0.355 18521 2433 1 3 . 1 1 85 85 ASP CB C 85 40.936 40.936 41.010 -0.074 18521 2434 1 3 . 1 1 85 85 ASP H H 85 8.576 8.576 8.021 0.555 18521 2435 1 3 . 1 1 86 86 GLN N N 86 122.561 122.561 126.158 -3.597 18521 2436 1 3 . 1 1 86 86 GLN HA H 86 4.077 4.077 4.049 0.028 18521 2437 1 3 . 1 1 86 86 GLN C C 86 178.518 178.518 177.546 0.972 18521 2438 1 3 . 1 1 86 86 GLN CA C 86 57.816 57.816 59.192 -1.376 18521 2439 1 3 . 1 1 86 86 GLN CB C 86 29.165 29.165 28.760 0.405 18521 2440 1 3 . 1 1 86 86 GLN H H 86 8.715 8.715 8.450 0.265 18521 2441 1 3 . 1 1 87 87 GLU N N 87 121.616 121.616 120.539 1.077 18521 2442 1 3 . 1 1 87 87 GLU HA H 87 4.042 4.042 3.820 0.222 18521 2443 1 3 . 1 1 87 87 GLU C C 87 178.154 178.154 178.386 -0.232 18521 2444 1 3 . 1 1 87 87 GLU CA C 87 59.051 59.051 59.037 0.014 18521 2445 1 3 . 1 1 87 87 GLU CB C 87 29.231 29.231 29.123 0.108 18521 2446 1 3 . 1 1 87 87 GLU H H 87 8.073 8.073 8.241 -0.168 18521 2447 1 3 . 1 1 88 88 LYS N N 88 119.006 119.006 119.157 -0.151 18521 2448 1 3 . 1 1 88 88 LYS HA H 88 3.754 3.754 3.996 -0.242 18521 2449 1 3 . 1 1 88 88 LYS C C 88 177.129 177.129 178.706 -1.577 18521 2450 1 3 . 1 1 88 88 LYS CA C 88 59.721 59.721 59.121 0.600 18521 2451 1 3 . 1 1 88 88 LYS CB C 88 32.253 32.253 32.507 -0.254 18521 2452 1 3 . 1 1 88 88 LYS H H 88 7.525 7.525 8.967 -1.442 18521 2453 1 3 . 1 1 89 89 ALA N N 89 121.945 121.945 121.558 0.387 18521 2454 1 3 . 1 1 89 89 ALA HA H 89 3.734 3.734 4.023 -0.289 18521 2455 1 3 . 1 1 89 89 ALA C C 89 177.545 177.545 178.942 -1.397 18521 2456 1 3 . 1 1 89 89 ALA CA C 89 55.977 55.977 55.132 0.845 18521 2457 1 3 . 1 1 89 89 ALA CB C 89 18.763 18.763 17.964 0.799 18521 2458 1 3 . 1 1 89 89 ALA H H 89 8.472 8.472 7.859 0.613 18521 2459 1 3 . 1 1 90 90 LYS N N 90 117.743 117.743 118.912 -1.169 18521 2460 1 3 . 1 1 90 90 LYS HA H 90 4.015 4.015 2.693 1.322 18521 2461 1 3 . 1 1 90 90 LYS C C 90 177.667 177.667 178.496 -0.829 18521 2462 1 3 . 1 1 90 90 LYS CA C 90 58.703 58.703 58.757 -0.054 18521 2463 1 3 . 1 1 90 90 LYS CB C 90 32.779 32.779 31.584 1.195 18521 2464 1 3 . 1 1 90 90 LYS H H 90 6.684 6.684 7.591 -0.907 18521 2465 1 3 . 1 1 91 91 ILE N N 91 117.216 117.216 118.786 -1.570 18521 2466 1 3 . 1 1 91 91 ILE HA H 91 3.414 3.414 3.615 -0.201 18521 2467 1 3 . 1 1 91 91 ILE C C 91 178.422 178.422 177.847 0.575 18521 2468 1 3 . 1 1 91 91 ILE CA C 91 64.094 64.094 64.991 -0.897 18521 2469 1 3 . 1 1 91 91 ILE CB C 91 37.481 37.481 37.840 -0.359 18521 2470 1 3 . 1 1 91 91 ILE H H 91 7.196 7.196 7.307 -0.111 18521 2471 1 3 . 1 1 92 92 TYR N N 92 122.201 122.201 120.818 1.383 18521 2472 1 3 . 1 1 92 92 TYR HA H 92 4.047 4.047 4.038 0.009 18521 2473 1 3 . 1 1 92 92 TYR C C 92 177.726 177.726 177.491 0.235 18521 2474 1 3 . 1 1 92 92 TYR CA C 92 61.771 61.771 61.992 -0.221 18521 2475 1 3 . 1 1 92 92 TYR CB C 92 39.295 39.295 38.569 0.726 18521 2476 1 3 . 1 1 92 92 TYR H H 92 8.466 8.466 7.592 0.874 18521 2477 1 3 . 1 1 93 93 MET N N 93 117.420 117.420 119.482 -2.062 18521 2478 1 3 . 1 1 93 93 MET HA H 93 3.896 3.896 4.064 -0.168 18521 2479 1 3 . 1 1 93 93 MET C C 93 180.221 180.221 177.822 2.399 18521 2480 1 3 . 1 1 93 93 MET CA C 93 57.586 57.586 58.125 -0.539 18521 2481 1 3 . 1 1 93 93 MET CB C 93 30.854 30.854 32.337 -1.483 18521 2482 1 3 . 1 1 93 93 MET H H 93 8.269 8.269 8.699 -0.430 18521 2483 1 3 . 1 1 94 94 LEU N N 94 125.183 125.183 120.310 4.873 18521 2484 1 3 . 1 1 94 94 LEU HA H 94 3.826 3.826 3.880 -0.054 18521 2485 1 3 . 1 1 94 94 LEU C C 94 177.787 177.787 178.142 -0.355 18521 2486 1 3 . 1 1 94 94 LEU CA C 94 58.729 58.729 58.509 0.220 18521 2487 1 3 . 1 1 94 94 LEU CB C 94 42.188 42.188 41.434 0.755 18521 2488 1 3 . 1 1 94 94 LEU H H 94 8.733 8.733 8.232 0.501 18521 2489 1 3 . 1 1 95 95 ASN N N 95 121.517 121.517 118.517 3.000 18521 2490 1 3 . 1 1 95 95 ASN HA H 95 4.184 4.184 4.318 -0.134 18521 2491 1 3 . 1 1 95 95 ASN C C 95 178.481 178.481 177.278 1.203 18521 2492 1 3 . 1 1 95 95 ASN CA C 95 56.312 56.312 56.062 0.249 18521 2493 1 3 . 1 1 95 95 ASN H H 95 8.951 8.951 7.864 1.087 18521 2494 1 3 . 1 1 96 96 PHE N N 96 122.778 122.778 120.324 2.454 18521 2495 1 3 . 1 1 96 96 PHE HA H 96 4.341 4.341 4.167 0.174 18521 2496 1 3 . 1 1 96 96 PHE C C 96 177.925 177.925 177.180 0.745 18521 2497 1 3 . 1 1 96 96 PHE CA C 96 62.427 62.427 62.143 0.284 18521 2498 1 3 . 1 1 96 96 PHE H H 96 8.454 8.454 7.966 0.488 18521 2499 1 3 . 1 1 97 97 THR N N 97 117.115 117.115 116.982 0.133 18521 2500 1 3 . 1 1 97 97 THR HA H 97 3.369 3.369 3.754 -0.385 18521 2501 1 3 . 1 1 97 97 THR C C 97 176.185 176.185 176.811 -0.626 18521 2502 1 3 . 1 1 97 97 THR CA C 97 68.090 68.090 67.428 0.662 18521 2503 1 3 . 1 1 97 97 THR CB C 97 68.087 68.087 68.536 -0.449 18521 2504 1 3 . 1 1 97 97 THR H H 97 8.209 8.209 8.656 -0.447 18521 2505 1 3 . 1 1 98 98 MET N N 98 119.373 119.373 120.243 -0.870 18521 2506 1 3 . 1 1 98 98 MET HA H 98 4.360 4.360 4.253 0.107 18521 2507 1 3 . 1 1 98 98 MET C C 98 177.887 177.887 178.103 -0.216 18521 2508 1 3 . 1 1 98 98 MET CA C 98 58.143 58.143 57.272 0.871 18521 2509 1 3 . 1 1 98 98 MET CB C 98 31.948 31.948 30.961 0.987 18521 2510 1 3 . 1 1 98 98 MET H H 98 8.958 8.958 8.804 0.154 18521 2511 1 3 . 1 1 99 99 SER N N 99 114.517 114.517 116.340 -1.823 18521 2512 1 3 . 1 1 99 99 SER HA H 99 4.043 4.043 4.161 -0.118 18521 2513 1 3 . 1 1 99 99 SER C C 99 176.195 176.195 176.928 -0.733 18521 2514 1 3 . 1 1 99 99 SER CA C 99 62.481 62.481 61.516 0.965 18521 2515 1 3 . 1 1 99 99 SER CB C 99 62.692 62.692 62.714 -0.022 18521 2516 1 3 . 1 1 99 99 SER H H 99 7.708 7.708 8.362 -0.654 18521 2517 1 3 . 1 1 100 100 LEU N N 100 125.126 125.126 123.511 1.615 18521 2518 1 3 . 1 1 100 100 LEU HA H 100 3.913 3.913 3.982 -0.069 18521 2519 1 3 . 1 1 100 100 LEU C C 100 177.327 177.327 178.277 -0.950 18521 2520 1 3 . 1 1 100 100 LEU CA C 100 58.005 58.005 57.288 0.716 18521 2521 1 3 . 1 1 100 100 LEU CB C 100 41.841 41.841 41.425 0.416 18521 2522 1 3 . 1 1 100 100 LEU H H 100 7.277 7.277 7.812 -0.535 18521 2523 1 3 . 1 1 101 101 TYR N N 101 120.940 120.940 119.581 1.359 18521 2524 1 3 . 1 1 101 101 TYR HA H 101 4.143 4.143 4.161 -0.018 18521 2525 1 3 . 1 1 101 101 TYR C C 101 176.784 176.784 177.271 -0.487 18521 2526 1 3 . 1 1 101 101 TYR CA C 101 61.543 61.543 60.603 0.939 18521 2527 1 3 . 1 1 101 101 TYR CB C 101 40.909 40.909 38.256 2.653 18521 2528 1 3 . 1 1 101 101 TYR H H 101 8.858 8.858 8.619 0.239 18521 2529 1 3 . 1 1 102 102 ASN N N 102 119.067 119.067 117.741 1.326 18521 2530 1 3 . 1 1 102 102 ASN HA H 102 4.116 4.116 4.077 0.039 18521 2531 1 3 . 1 1 102 102 ASN C C 102 178.713 178.713 177.171 1.542 18521 2532 1 3 . 1 1 102 102 ASN CA C 102 55.734 55.734 56.042 -0.308 18521 2533 1 3 . 1 1 102 102 ASN H H 102 8.700 8.700 8.874 -0.174 18521 2534 1 3 . 1 1 103 103 GLU N N 103 119.558 119.558 120.178 -0.620 18521 2535 1 3 . 1 1 103 103 GLU HA H 103 3.944 3.944 3.916 0.028 18521 2536 1 3 . 1 1 103 103 GLU C C 103 179.012 179.012 178.869 0.143 18521 2537 1 3 . 1 1 103 103 GLU CA C 103 59.506 59.506 59.711 -0.205 18521 2538 1 3 . 1 1 103 103 GLU CB C 103 29.349 29.349 29.513 -0.164 18521 2539 1 3 . 1 1 103 103 GLU H H 103 7.599 7.599 7.877 -0.278 18521 2540 1 3 . 1 1 104 104 LYS N N 104 120.218 120.218 118.503 1.715 18521 2541 1 3 . 1 1 104 104 LYS HA H 104 4.051 4.051 4.077 -0.026 18521 2542 1 3 . 1 1 104 104 LYS C C 104 178.477 178.477 179.248 -0.771 18521 2543 1 3 . 1 1 104 104 LYS CA C 104 56.534 56.534 58.375 -1.841 18521 2544 1 3 . 1 1 104 104 LYS CB C 104 29.108 29.108 32.186 -3.078 18521 2545 1 3 . 1 1 104 104 LYS H H 104 8.311 8.311 7.489 0.822 18521 2546 1 3 . 1 1 105 105 LEU N N 105 122.110 122.110 119.614 2.496 18521 2547 1 3 . 1 1 105 105 LEU HA H 105 3.774 3.774 3.868 -0.094 18521 2548 1 3 . 1 1 105 105 LEU C C 105 180.224 180.224 178.724 1.500 18521 2549 1 3 . 1 1 105 105 LEU CA C 105 58.148 58.148 57.844 0.304 18521 2550 1 3 . 1 1 105 105 LEU CB C 105 42.394 42.394 41.177 1.217 18521 2551 1 3 . 1 1 105 105 LEU H H 105 8.604 8.604 8.035 0.569 18521 2552 1 3 . 1 1 106 106 LYS N N 106 119.031 119.031 119.216 -0.185 18521 2553 1 3 . 1 1 106 106 LYS HA H 106 4.035 4.035 3.792 0.243 18521 2554 1 3 . 1 1 106 106 LYS C C 106 178.496 178.496 178.844 -0.348 18521 2555 1 3 . 1 1 106 106 LYS CA C 106 59.820 59.820 59.421 0.399 18521 2556 1 3 . 1 1 106 106 LYS CB C 106 31.956 31.956 32.156 -0.200 18521 2557 1 3 . 1 1 106 106 LYS H H 106 7.339 7.339 8.040 -0.701 18521 2558 1 3 . 1 1 107 107 GLN N N 107 121.417 121.417 118.313 3.104 18521 2559 1 3 . 1 1 107 107 GLN HA H 107 3.744 3.744 3.857 -0.113 18521 2560 1 3 . 1 1 107 107 GLN C C 107 178.103 178.103 178.713 -0.610 18521 2561 1 3 . 1 1 107 107 GLN CA C 107 58.582 58.582 58.439 0.143 18521 2562 1 3 . 1 1 107 107 GLN CB C 107 26.969 26.969 28.136 -1.167 18521 2563 1 3 . 1 1 107 107 GLN H H 107 7.590 7.590 7.518 0.072 18521 2564 1 3 . 1 1 108 108 LEU N N 108 120.629 120.629 118.172 2.457 18521 2565 1 3 . 1 1 108 108 LEU HA H 108 3.806 3.806 4.507 -0.701 18521 2566 1 3 . 1 1 108 108 LEU C C 108 178.978 178.978 178.444 0.534 18521 2567 1 3 . 1 1 108 108 LEU CA C 108 58.306 58.306 57.555 0.751 18521 2568 1 3 . 1 1 108 108 LEU CB C 108 42.112 42.112 41.873 0.238 18521 2569 1 3 . 1 1 108 108 LEU H H 108 8.450 8.450 7.409 1.041 18521 2570 1 3 . 1 1 109 109 LYS N N 109 119.584 119.584 117.491 2.093 18521 2571 1 3 . 1 1 109 109 LYS HA H 109 4.166 4.166 4.089 0.077 18521 2572 1 3 . 1 1 109 109 LYS C C 109 177.859 177.859 177.171 0.688 18521 2573 1 3 . 1 1 109 109 LYS CA C 109 58.746 58.746 58.759 -0.013 18521 2574 1 3 . 1 1 109 109 LYS CB C 109 32.637 32.637 32.761 -0.124 18521 2575 1 3 . 1 1 109 109 LYS H H 109 7.295 7.295 7.768 -0.473 18521 2576 1 3 . 1 1 110 110 ASP N N 110 116.950 116.950 113.374 3.576 18521 2577 1 3 . 1 1 110 110 ASP HA H 110 4.604 4.604 4.977 -0.373 18521 2578 1 3 . 1 1 110 110 ASP C C 110 177.157 177.157 174.755 2.402 18521 2579 1 3 . 1 1 110 110 ASP CA C 110 55.768 55.768 54.392 1.376 18521 2580 1 3 . 1 1 110 110 ASP CB C 110 42.724 42.724 43.190 -0.466 18521 2581 1 3 . 1 1 110 110 ASP H H 110 7.807 7.807 7.640 0.167 18521 2582 1 3 . 1 1 111 111 GLY N N 111 114.046 114.046 109.899 4.147 18521 2583 1 3 . 1 1 111 111 GLY CA C 111 41.845 41.845 44.326 -2.481 18521 2584 1 3 . 1 1 111 111 GLY H H 111 8.554 8.554 7.389 1.165 18521 2585 1 3 . 1 1 112 112 PRO HA H 112 4.552 4.552 3.993 0.559 18521 2586 1 3 . 1 1 112 112 PRO C C 112 174.967 174.967 175.617 -0.650 18521 2587 1 3 . 1 1 112 112 PRO CA C 112 61.222 61.222 62.809 -1.587 18521 2588 1 3 . 1 1 112 112 PRO CB C 112 35.056 35.056 32.212 2.844 18521 2589 1 3 . 1 1 113 113 TRP N N 113 123.139 123.139 122.704 0.435 18521 2590 1 3 . 1 1 113 113 TRP HA H 113 4.650 4.650 4.819 -0.169 18521 2591 1 3 . 1 1 113 113 TRP C C 113 174.604 174.604 175.450 -0.846 18521 2592 1 3 . 1 1 113 113 TRP CA C 113 58.154 58.154 56.664 1.490 18521 2593 1 3 . 1 1 113 113 TRP CB C 113 27.048 27.048 31.230 -4.183 18521 2594 1 3 . 1 1 113 113 TRP H H 113 8.671 8.671 8.544 0.127 18521 2595 1 3 . 1 1 114 114 ASP N N 114 121.440 121.440 119.705 1.735 18521 2596 1 3 . 1 1 114 114 ASP HA H 114 4.930 4.930 4.827 0.103 18521 2597 1 3 . 1 1 114 114 ASP C C 114 176.979 176.979 176.285 0.694 18521 2598 1 3 . 1 1 114 114 ASP CA C 114 52.223 52.223 52.603 -0.380 18521 2599 1 3 . 1 1 114 114 ASP CB C 114 43.192 43.192 42.176 1.016 18521 2600 1 3 . 1 1 114 114 ASP H H 114 6.950 6.950 8.163 -1.213 18521 2601 1 3 . 1 1 115 115 VAL N N 115 118.386 118.386 119.881 -1.495 18521 2602 1 3 . 1 1 115 115 VAL HA H 115 3.825 3.825 3.725 0.100 18521 2603 1 3 . 1 1 115 115 VAL C C 115 177.760 177.760 177.990 -0.230 18521 2604 1 3 . 1 1 115 115 VAL CA C 115 65.611 65.611 66.198 -0.587 18521 2605 1 3 . 1 1 115 115 VAL CB C 115 31.657 31.657 32.072 -0.415 18521 2606 1 3 . 1 1 115 115 VAL H H 115 8.181 8.181 8.438 -0.257 18521 2607 1 3 . 1 1 116 116 MET N N 116 120.354 120.354 119.371 0.983 18521 2608 1 3 . 1 1 116 116 MET HA H 116 4.284 4.284 4.172 0.112 18521 2609 1 3 . 1 1 116 116 MET C C 116 179.336 179.336 178.466 0.870 18521 2610 1 3 . 1 1 116 116 MET CA C 116 57.392 57.392 58.749 -1.357 18521 2611 1 3 . 1 1 116 116 MET CB C 116 30.450 30.450 32.251 -1.801 18521 2612 1 3 . 1 1 116 116 MET H H 116 7.661 7.661 7.985 -0.324 18521 2613 1 3 . 1 1 117 117 LEU N N 117 125.774 125.774 120.226 5.548 18521 2614 1 3 . 1 1 117 117 LEU HA H 117 4.129 4.129 3.970 0.159 18521 2615 1 3 . 1 1 117 117 LEU C C 117 178.399 178.399 177.913 0.486 18521 2616 1 3 . 1 1 117 117 LEU CA C 117 58.353 58.353 58.897 -0.544 18521 2617 1 3 . 1 1 117 117 LEU CB C 117 40.392 40.392 41.763 -1.371 18521 2618 1 3 . 1 1 117 117 LEU H H 117 8.179 8.179 9.114 -0.935 18521 2619 1 3 . 1 1 118 118 LYS N N 118 118.471 118.471 119.104 -0.633 18521 2620 1 3 . 1 1 118 118 LYS HA H 118 3.824 3.824 4.018 -0.194 18521 2621 1 3 . 1 1 118 118 LYS C C 118 178.259 178.259 179.168 -0.909 18521 2622 1 3 . 1 1 118 118 LYS CA C 118 60.497 60.497 59.830 0.667 18521 2623 1 3 . 1 1 118 118 LYS CB C 118 32.355 32.355 32.152 0.203 18521 2624 1 3 . 1 1 118 118 LYS H H 118 7.359 7.359 7.438 -0.079 18521 2625 1 3 . 1 1 119 119 ARG N N 119 117.838 117.838 118.450 -0.612 18521 2626 1 3 . 1 1 119 119 ARG HA H 119 4.158 4.158 4.261 -0.103 18521 2627 1 3 . 1 1 119 119 ARG C C 119 180.132 180.132 179.235 0.897 18521 2628 1 3 . 1 1 119 119 ARG CA C 119 59.535 59.535 59.459 0.076 18521 2629 1 3 . 1 1 119 119 ARG CB C 119 29.994 29.994 30.321 -0.327 18521 2630 1 3 . 1 1 119 119 ARG H H 119 8.316 8.316 7.952 0.364 18521 2631 1 3 . 1 1 120 120 SER N N 120 117.258 117.258 116.827 0.431 18521 2632 1 3 . 1 1 120 120 SER HA H 120 4.374 4.374 4.307 0.067 18521 2633 1 3 . 1 1 120 120 SER C C 120 176.034 176.034 176.604 -0.570 18521 2634 1 3 . 1 1 120 120 SER CA C 120 62.728 62.728 62.312 0.416 18521 2635 1 3 . 1 1 120 120 SER CB C 120 63.050 63.050 62.797 0.252 18521 2636 1 3 . 1 1 120 120 SER H H 120 8.598 8.598 8.035 0.563 18521 2637 1 3 . 1 1 121 121 LEU N N 121 125.307 125.307 122.617 2.690 18521 2638 1 3 . 1 1 121 121 LEU HA H 121 4.192 4.192 4.163 0.029 18521 2639 1 3 . 1 1 121 121 LEU C C 121 179.621 179.621 178.778 0.843 18521 2640 1 3 . 1 1 121 121 LEU CA C 121 58.894 58.894 58.011 0.883 18521 2641 1 3 . 1 1 121 121 LEU CB C 121 41.188 41.188 41.809 -0.621 18521 2642 1 3 . 1 1 121 121 LEU H H 121 8.250 8.250 8.274 -0.024 18521 2643 1 3 . 1 1 122 122 TRP N N 122 120.444 120.444 119.191 1.253 18521 2644 1 3 . 1 1 122 122 TRP HA H 122 4.368 4.368 4.361 0.007 18521 2645 1 3 . 1 1 122 122 TRP C C 122 176.943 176.943 178.567 -1.624 18521 2646 1 3 . 1 1 122 122 TRP CA C 122 61.452 61.452 61.669 -0.217 18521 2647 1 3 . 1 1 122 122 TRP CB C 122 29.823 29.823 29.107 0.716 18521 2648 1 3 . 1 1 122 122 TRP H H 122 7.873 7.873 7.803 0.070 18521 2649 1 3 . 1 1 123 123 CYS N N 123 120.188 120.188 119.728 0.460 18521 2650 1 3 . 1 1 123 123 CYS HA H 123 4.264 4.264 4.265 -0.001 18521 2651 1 3 . 1 1 123 123 CYS C C 123 176.875 176.875 177.009 -0.134 18521 2652 1 3 . 1 1 123 123 CYS CA C 123 60.573 60.573 62.180 -1.607 18521 2653 1 3 . 1 1 123 123 CYS CB C 123 25.642 25.642 26.890 -1.248 18521 2654 1 3 . 1 1 123 123 CYS H H 123 8.271 8.271 7.869 0.402 18521 2655 1 3 . 1 1 124 124 CYS N N 124 116.760 116.760 119.070 -2.310 18521 2656 1 3 . 1 1 124 124 CYS HA H 124 3.880 3.880 4.054 -0.174 18521 2657 1 3 . 1 1 124 124 CYS C C 124 175.810 175.810 177.124 -1.314 18521 2658 1 3 . 1 1 124 124 CYS CA C 124 65.646 65.646 64.469 1.177 18521 2659 1 3 . 1 1 124 124 CYS CB C 124 28.069 28.069 27.577 0.492 18521 2660 1 3 . 1 1 124 124 CYS H H 124 8.208 8.208 7.837 0.371 18521 2661 1 3 . 1 1 125 125 ILE N N 125 121.167 121.167 121.343 -0.176 18521 2662 1 3 . 1 1 125 125 ILE HA H 125 3.580 3.580 3.810 -0.230 18521 2663 1 3 . 1 1 125 125 ILE C C 125 179.302 179.302 177.651 1.651 18521 2664 1 3 . 1 1 125 125 ILE CA C 125 67.663 67.663 65.830 1.833 18521 2665 1 3 . 1 1 125 125 ILE CB C 125 37.988 37.988 37.519 0.469 18521 2666 1 3 . 1 1 125 125 ILE H H 125 8.073 8.073 7.847 0.226 18521 2667 1 3 . 1 1 126 126 ASP N N 126 124.812 124.812 120.330 4.482 18521 2668 1 3 . 1 1 126 126 ASP HA H 126 4.622 4.622 4.540 0.082 18521 2669 1 3 . 1 1 126 126 ASP C C 126 178.091 178.091 179.085 -0.994 18521 2670 1 3 . 1 1 126 126 ASP CA C 126 58.885 58.885 57.321 1.564 18521 2671 1 3 . 1 1 126 126 ASP CB C 126 40.408 40.408 40.381 0.027 18521 2672 1 3 . 1 1 126 126 ASP H H 126 8.778 8.778 7.847 0.931 18521 2673 1 3 . 1 1 127 127 LEU N N 127 122.531 122.531 119.850 2.681 18521 2674 1 3 . 1 1 127 127 LEU HA H 127 3.841 3.841 3.867 -0.026 18521 2675 1 3 . 1 1 127 127 LEU C C 127 179.582 179.582 178.940 0.642 18521 2676 1 3 . 1 1 127 127 LEU CA C 127 58.632 58.632 57.826 0.806 18521 2677 1 3 . 1 1 127 127 LEU CB C 127 42.680 42.680 41.589 1.091 18521 2678 1 3 . 1 1 127 127 LEU H H 127 8.888 8.888 7.327 1.561 18521 2679 1 3 . 1 1 128 128 ILE N N 128 121.311 121.311 118.643 2.668 18521 2680 1 3 . 1 1 128 128 ILE HA H 128 3.938 3.938 3.752 0.186 18521 2681 1 3 . 1 1 128 128 ILE C C 128 176.725 176.725 177.948 -1.223 18521 2682 1 3 . 1 1 128 128 ILE CA C 128 60.922 60.922 65.052 -4.130 18521 2683 1 3 . 1 1 128 128 ILE CB C 128 38.971 38.971 37.294 1.677 18521 2684 1 3 . 1 1 128 128 ILE H H 128 7.469 7.469 7.618 -0.149 18521 2685 1 3 . 1 1 129 129 ASN N N 129 122.727 122.727 118.125 4.602 18521 2686 1 3 . 1 1 129 129 ASN HA H 129 4.582 4.582 4.315 0.267 18521 2687 1 3 . 1 1 129 129 ASN C C 129 177.132 177.132 177.126 0.006 18521 2688 1 3 . 1 1 129 129 ASN CA C 129 52.982 52.982 56.389 -3.407 18521 2689 1 3 . 1 1 129 129 ASN CB C 129 38.792 38.792 38.333 0.459 18521 2690 1 3 . 1 1 129 129 ASN H H 129 8.173 8.173 8.201 -0.028 18521 2691 1 3 . 1 1 130 130 ILE N N 130 120.527 120.527 121.135 -0.608 18521 2692 1 3 . 1 1 130 130 ILE HA H 130 4.305 4.305 2.499 1.806 18521 2693 1 3 . 1 1 130 130 ILE C C 130 175.796 175.796 177.286 -1.490 18521 2694 1 3 . 1 1 130 130 ILE CA C 130 61.246 61.246 63.979 -2.733 18521 2695 1 3 . 1 1 130 130 ILE CB C 130 38.797 38.797 37.873 0.924 18521 2696 1 3 . 1 1 130 130 ILE H H 130 8.096 8.096 7.300 0.796 18521 2697 1 3 . 1 1 131 131 ASP N N 131 122.165 122.165 121.969 0.196 18521 2698 1 3 . 1 1 131 131 ASP HA H 131 4.416 4.416 3.899 0.517 18521 2699 1 3 . 1 1 131 131 ASP C C 131 176.750 176.750 178.322 -1.572 18521 2700 1 3 . 1 1 131 131 ASP CA C 131 55.955 55.955 57.973 -2.018 18521 2701 1 3 . 1 1 131 131 ASP CB C 131 41.117 41.117 40.700 0.417 18521 2702 1 3 . 1 1 131 131 ASP H H 131 8.157 8.157 7.816 0.341 18521 2703 1 3 . 1 1 132 132 LYS N N 132 119.537 119.537 117.915 1.622 18521 2704 1 3 . 1 1 132 132 LYS HA H 132 4.373 4.373 3.908 0.465 18521 2705 1 3 . 1 1 132 132 LYS C C 132 176.405 176.405 178.021 -1.616 18521 2706 1 3 . 1 1 132 132 LYS CA C 132 55.699 55.699 59.203 -3.504 18521 2707 1 3 . 1 1 132 132 LYS CB C 132 32.822 32.822 32.163 0.659 18521 2708 1 3 . 1 1 132 132 LYS H H 132 8.023 8.023 7.733 0.290 18521 2709 1 3 . 1 1 133 133 LEU N N 133 120.242 120.242 119.748 0.494 18521 2710 1 3 . 1 1 133 133 LEU HA H 133 4.158 4.158 4.267 -0.109 18521 2711 1 3 . 1 1 133 133 LEU C C 133 178.449 178.449 179.810 -1.361 18521 2712 1 3 . 1 1 133 133 LEU CA C 133 57.538 57.538 58.195 -0.657 18521 2713 1 3 . 1 1 133 133 LEU CB C 133 41.572 41.572 42.650 -1.078 18521 2714 1 3 . 1 1 133 133 LEU H H 133 8.024 8.024 7.568 0.456 18521 2715 1 3 . 1 1 134 134 GLN N N 134 117.985 117.985 118.025 -0.040 18521 2716 1 3 . 1 1 134 134 GLN HA H 134 4.018 4.018 3.790 0.228 18521 2717 1 3 . 1 1 134 134 GLN C C 134 179.500 179.500 176.941 2.559 18521 2718 1 3 . 1 1 134 134 GLN CA C 134 58.175 58.175 57.903 0.272 18521 2719 1 3 . 1 1 134 134 GLN CB C 134 29.102 29.102 28.185 0.917 18521 2720 1 3 . 1 1 134 134 GLN H H 134 8.536 8.536 8.217 0.319 18521 2721 1 3 . 1 1 135 135 TRP N N 135 115.550 115.550 115.364 0.186 18521 2722 1 3 . 1 1 135 135 TRP HA H 135 4.991 4.991 4.942 0.049 18521 2723 1 3 . 1 1 135 135 TRP C C 135 175.170 175.170 176.156 -0.986 18521 2724 1 3 . 1 1 135 135 TRP CA C 135 59.426 59.426 55.550 3.876 18521 2725 1 3 . 1 1 135 135 TRP CB C 135 26.894 26.894 28.223 -1.329 18521 2726 1 3 . 1 1 135 135 TRP H H 135 7.727 7.727 7.379 0.348 18521 2727 1 3 . 1 1 136 136 LYS N N 136 119.841 119.841 121.636 -1.795 18521 2728 1 3 . 1 1 136 136 LYS HA H 136 3.830 3.830 4.034 -0.204 18521 2729 1 3 . 1 1 136 136 LYS C C 136 178.330 178.330 178.167 0.163 18521 2730 1 3 . 1 1 136 136 LYS CA C 136 60.194 60.194 59.948 0.246 18521 2731 1 3 . 1 1 136 136 LYS CB C 136 32.902 32.902 32.003 0.899 18521 2732 1 3 . 1 1 136 136 LYS H H 136 6.580 6.580 7.500 -0.920 18521 2733 1 3 . 1 1 137 137 GLU N N 137 115.250 115.250 117.296 -2.046 18521 2734 1 3 . 1 1 137 137 GLU HA H 137 4.177 4.177 4.096 0.081 18521 2735 1 3 . 1 1 137 137 GLU C C 137 176.698 176.698 176.673 0.025 18521 2736 1 3 . 1 1 137 137 GLU CA C 137 57.766 57.766 58.248 -0.482 18521 2737 1 3 . 1 1 137 137 GLU CB C 137 29.221 29.221 29.347 -0.126 18521 2738 1 3 . 1 1 137 137 GLU H H 137 8.549 8.549 8.738 -0.189 18521 2739 1 3 . 1 1 138 138 ASN N N 138 116.578 116.578 116.107 0.471 18521 2740 1 3 . 1 1 138 138 ASN HA H 138 4.943 4.943 4.784 0.159 18521 2741 1 3 . 1 1 138 138 ASN C C 138 173.448 173.448 174.407 -0.959 18521 2742 1 3 . 1 1 138 138 ASN CA C 138 52.681 52.681 53.249 -0.568 18521 2743 1 3 . 1 1 138 138 ASN CB C 138 40.833 40.833 39.619 1.214 18521 2744 1 3 . 1 1 138 138 ASN H H 138 8.337 8.337 7.642 0.695 18521 2745 1 3 . 1 1 139 139 ILE N N 139 120.835 120.835 119.394 1.441 18521 2746 1 3 . 1 1 139 139 ILE HA H 139 4.339 4.339 4.312 0.027 18521 2747 1 3 . 1 1 139 139 ILE C C 139 175.219 175.219 175.047 0.172 18521 2748 1 3 . 1 1 139 139 ILE CA C 139 60.867 60.867 60.468 0.399 18521 2749 1 3 . 1 1 139 139 ILE CB C 139 40.270 40.270 40.095 0.175 18521 2750 1 3 . 1 1 139 139 ILE H H 139 7.138 7.138 7.415 -0.277 18521 2751 1 3 . 1 1 140 140 MET N N 140 123.319 123.319 121.783 1.536 18521 2752 1 3 . 1 1 140 140 MET HA H 140 4.324 4.324 4.497 -0.173 18521 2753 1 3 . 1 1 140 140 MET C C 140 177.931 177.931 177.118 0.813 18521 2754 1 3 . 1 1 140 140 MET CA C 140 58.511 58.511 55.232 3.279 18521 2755 1 3 . 1 1 140 140 MET CB C 140 65.156 65.156 64.414 0.742 18521 2756 1 3 . 1 1 140 140 MET H H 140 8.714 8.714 8.436 0.278 18521 2757 1 3 . 1 1 141 141 LEU N N 141 120.610 120.610 123.686 -3.076 18521 2758 1 3 . 1 1 141 141 LEU HA H 141 4.047 4.047 4.053 -0.006 18521 2759 1 3 . 1 1 141 141 LEU C C 141 177.281 177.281 178.646 -1.365 18521 2760 1 3 . 1 1 141 141 LEU CA C 141 58.362 58.362 58.498 -0.136 18521 2761 1 3 . 1 1 141 141 LEU H H 141 8.333 8.333 9.001 -0.668 18521 2762 1 3 . 1 1 142 142 ASP N N 142 121.268 121.268 120.905 0.363 18521 2763 1 3 . 1 1 142 142 ASP HA H 142 4.415 4.415 4.625 -0.210 18521 2764 1 3 . 1 1 142 142 ASP C C 142 175.916 175.916 178.144 -2.228 18521 2765 1 3 . 1 1 142 142 ASP CA C 142 54.678 54.678 58.636 -3.958 18521 2766 1 3 . 1 1 142 142 ASP CB C 142 68.329 68.329 68.375 -0.046 18521 2767 1 3 . 1 1 142 142 ASP H H 142 8.199 8.199 8.308 -0.109 18521 2768 1 3 . 1 1 143 143 LEU N N 143 120.218 120.218 122.719 -2.501 18521 2769 1 3 . 1 1 143 143 LEU HA H 143 4.108 4.108 4.093 0.015 18521 2770 1 3 . 1 1 143 143 LEU C C 143 176.205 176.205 179.069 -2.864 18521 2771 1 3 . 1 1 143 143 LEU CA C 143 57.314 57.314 58.811 -1.497 18521 2772 1 3 . 1 1 143 143 LEU CB C 143 39.700 39.700 41.426 -1.726 18521 2773 1 3 . 1 1 143 143 LEU H H 143 7.858 7.858 8.097 -0.239 18521 2774 1 3 . 1 1 144 144 ILE N N 144 121.582 121.582 125.753 -4.171 18521 2775 1 3 . 1 1 144 144 ILE HA H 144 4.083 4.083 3.750 0.333 18521 2776 1 3 . 1 1 144 144 ILE C C 144 177.130 177.130 177.783 -0.653 18521 2777 1 3 . 1 1 144 144 ILE CA C 144 60.697 60.697 66.273 -5.576 18521 2778 1 3 . 1 1 144 144 ILE CB C 144 38.565 38.565 37.656 0.909 18521 2779 1 3 . 1 1 144 144 ILE H H 144 7.948 7.948 8.261 -0.313 18521 2780 1 3 . 1 1 145 145 GLU N N 145 120.974 120.974 121.439 -0.465 18521 2781 1 3 . 1 1 145 145 GLU HA H 145 4.049 4.049 4.211 -0.162 18521 2782 1 3 . 1 1 145 145 GLU C C 145 179.664 179.664 178.670 0.994 18521 2783 1 3 . 1 1 145 145 GLU CA C 145 59.673 59.673 59.813 -0.140 18521 2784 1 3 . 1 1 145 145 GLU CB C 145 29.521 29.521 29.651 -0.130 18521 2785 1 3 . 1 1 145 145 GLU H H 145 7.869 7.869 8.016 -0.147 18521 2786 1 3 . 1 1 146 146 GLN N N 146 118.520 118.520 119.925 -1.405 18521 2787 1 3 . 1 1 146 146 GLN HA H 146 4.034 4.034 4.014 0.020 18521 2788 1 3 . 1 1 146 146 GLN C C 146 178.820 178.820 177.640 1.180 18521 2789 1 3 . 1 1 146 146 GLN CA C 146 58.720 58.720 59.019 -0.299 18521 2790 1 3 . 1 1 146 146 GLN CB C 146 29.312 29.312 28.495 0.817 18521 2791 1 3 . 1 1 146 146 GLN H H 146 8.407 8.407 7.535 0.872 18521 2792 1 3 . 1 1 147 147 GLY N N 147 108.998 108.998 110.116 -1.118 18521 2793 1 3 . 1 1 147 147 GLY HA H 147 3.471 3.471 3.799 -0.328 18521 2794 1 3 . 1 1 147 147 GLY C C 147 175.794 175.794 176.299 -0.505 18521 2795 1 3 . 1 1 147 147 GLY CA C 147 47.525 47.525 48.197 -0.672 18521 2796 1 3 . 1 1 147 147 GLY CB C 147 41.801 41.801 41.413 0.388 18521 2797 1 3 . 1 1 147 147 GLY H H 147 8.059 8.059 7.582 0.477 18521 2798 1 3 . 1 1 148 148 ASP N N 148 124.022 124.022 118.796 5.226 18521 2799 1 3 . 1 1 148 148 ASP HA H 148 4.342 4.342 4.127 0.215 18521 2800 1 3 . 1 1 148 148 ASP C C 148 175.607 175.607 178.498 -2.891 18521 2801 1 3 . 1 1 148 148 ASP CA C 148 57.252 57.252 57.500 -0.248 18521 2802 1 3 . 1 1 148 148 ASP CB C 148 39.918 39.918 40.345 -0.427 18521 2803 1 3 . 1 1 148 148 ASP H H 148 8.522 8.522 8.439 0.083 18521 2804 1 3 . 1 1 149 149 GLU N N 149 121.333 121.333 119.991 1.342 18521 2805 1 3 . 1 1 149 149 GLU HA H 149 4.008 4.008 3.958 0.050 18521 2806 1 3 . 1 1 149 149 GLU C C 149 175.652 175.652 178.815 -3.163 18521 2807 1 3 . 1 1 149 149 GLU CA C 149 59.394 59.394 59.653 -0.259 18521 2808 1 3 . 1 1 149 149 GLU CB C 149 32.048 32.048 32.252 -0.204 18521 2809 1 3 . 1 1 149 149 GLU H H 149 7.768 7.768 7.960 -0.192 18521 2810 1 3 . 1 1 150 150 LEU N N 150 120.820 120.820 119.236 1.584 18521 2811 1 3 . 1 1 150 150 LEU HA H 150 3.718 3.718 4.004 -0.286 18521 2812 1 3 . 1 1 150 150 LEU C C 150 179.476 179.476 179.311 0.165 18521 2813 1 3 . 1 1 150 150 LEU CA C 150 57.656 57.656 57.906 -0.250 18521 2814 1 3 . 1 1 150 150 LEU CB C 150 28.936 28.936 29.715 -0.779 18521 2815 1 3 . 1 1 150 150 LEU H H 150 8.113 8.113 7.300 0.813 18521 2816 1 3 . 1 1 151 151 GLN N N 151 118.698 118.698 119.600 -0.902 18521 2817 1 3 . 1 1 151 151 GLN HA H 151 3.990 3.990 3.551 0.439 18521 2818 1 3 . 1 1 151 151 GLN C C 151 178.418 178.418 177.929 0.489 18521 2819 1 3 . 1 1 151 151 GLN CA C 151 58.570 58.570 59.569 -1.000 18521 2820 1 3 . 1 1 151 151 GLN CB C 151 38.409 38.409 37.487 0.922 18521 2821 1 3 . 1 1 151 151 GLN H H 151 8.282 8.282 7.940 0.342 18521 2822 1 3 . 1 1 152 152 GLU N N 152 120.750 120.750 119.687 1.063 18521 2823 1 3 . 1 1 152 152 GLU HA H 152 4.035 4.035 3.956 0.079 18521 2824 1 3 . 1 1 152 152 GLU C C 152 178.916 178.916 178.924 -0.008 18521 2825 1 3 . 1 1 152 152 GLU CA C 152 59.223 59.223 59.291 -0.068 18521 2826 1 3 . 1 1 152 152 GLU CB C 152 29.322 29.322 29.204 0.118 18521 2827 1 3 . 1 1 152 152 GLU H H 152 7.499 7.499 8.432 -0.933 18521 2828 1 3 . 1 1 153 153 VAL N N 153 120.317 120.317 120.745 -0.428 18521 2829 1 3 . 1 1 153 153 VAL HA H 153 3.695 3.695 3.807 -0.112 18521 2830 1 3 . 1 1 153 153 VAL C C 153 178.846 178.846 178.351 0.495 18521 2831 1 3 . 1 1 153 153 VAL CA C 153 65.832 65.832 66.442 -0.610 18521 2832 1 3 . 1 1 153 153 VAL CB C 153 31.921 31.921 31.713 0.208 18521 2833 1 3 . 1 1 153 153 VAL H H 153 7.763 7.763 8.428 -0.665 18521 2834 1 3 . 1 1 154 154 LEU N N 154 121.374 121.374 119.306 2.068 18521 2835 1 3 . 1 1 154 154 LEU HA H 154 3.917 3.917 3.862 0.055 18521 2836 1 3 . 1 1 154 154 LEU C C 154 178.836 178.836 178.546 0.290 18521 2837 1 3 . 1 1 154 154 LEU CA C 154 57.439 57.439 59.301 -1.862 18521 2838 1 3 . 1 1 154 154 LEU CB C 154 41.797 41.797 41.813 -0.016 18521 2839 1 3 . 1 1 154 154 LEU H H 154 7.731 7.731 8.112 -0.381 18521 2840 1 3 . 1 1 155 155 ALA N N 155 121.695 121.695 123.969 -2.274 18521 2841 1 3 . 1 1 155 155 ALA HA H 155 4.145 4.145 3.800 0.345 18521 2842 1 3 . 1 1 155 155 ALA C C 155 179.502 179.502 179.761 -0.259 18521 2843 1 3 . 1 1 155 155 ALA CA C 155 54.175 54.175 55.314 -1.139 18521 2844 1 3 . 1 1 155 155 ALA CB C 155 18.499 18.499 18.689 -0.190 18521 2845 1 3 . 1 1 155 155 ALA H H 155 7.896 7.896 7.701 0.195 18521 2846 1 3 . 1 1 156 156 MET N N 156 117.652 117.652 118.812 -1.160 18521 2847 1 3 . 1 1 156 156 MET HA H 156 4.228 4.228 3.904 0.324 18521 2848 1 3 . 1 1 156 156 MET C C 156 177.366 177.366 178.191 -0.825 18521 2849 1 3 . 1 1 156 156 MET CA C 156 57.306 57.306 59.334 -2.028 18521 2850 1 3 . 1 1 156 156 MET CB C 156 32.373 32.373 32.555 -0.182 18521 2851 1 3 . 1 1 156 156 MET H H 156 7.778 7.778 8.314 -0.536 18521 2852 1 3 . 1 1 157 157 ASN N N 157 117.853 117.853 117.514 0.339 18521 2853 1 3 . 1 1 157 157 ASN HA H 157 4.588 4.588 4.218 0.370 18521 2854 1 3 . 1 1 157 157 ASN C C 157 175.211 175.211 177.589 -2.378 18521 2855 1 3 . 1 1 157 157 ASN CA C 157 54.068 54.068 57.457 -3.389 18521 2856 1 3 . 1 1 157 157 ASN CB C 157 39.125 39.125 38.318 0.807 18521 2857 1 3 . 1 1 157 157 ASN H H 157 8.009 8.009 8.305 -0.296 18521 2858 1 3 . 1 1 158 158 ASN N N 158 117.684 117.684 117.348 0.336 18521 2859 1 3 . 1 1 158 158 ASN HA H 158 4.612 4.612 4.306 0.306 18521 2860 1 3 . 1 1 158 158 ASN C C 158 174.669 174.669 177.177 -2.508 18521 2861 1 3 . 1 1 158 158 ASN CA C 158 53.554 53.554 56.126 -2.572 18521 2862 1 3 . 1 1 158 158 ASN CB C 158 39.343 39.343 38.030 1.313 18521 2863 1 3 . 1 1 158 158 ASN H H 158 7.951 7.951 8.787 -0.836 18521 2864 1 3 . 1 1 159 159 ASN N N 159 119.399 119.399 116.978 2.421 18521 2865 1 3 . 1 1 159 159 ASN HA H 159 4.583 4.583 4.385 0.198 18521 2866 1 3 . 1 1 159 159 ASN C C 159 175.563 175.563 177.515 -1.952 18521 2867 1 3 . 1 1 159 159 ASN CA C 159 53.901 53.901 56.390 -2.489 18521 2868 1 3 . 1 1 159 159 ASN CB C 159 38.425 38.425 38.014 0.411 18521 2869 1 3 . 1 1 159 159 ASN H H 159 8.319 8.319 7.670 0.649 18521 2870 1 3 . 1 1 160 160 SER N N 160 115.453 115.453 117.295 -1.842 18521 2871 1 3 . 1 1 160 160 SER HA H 160 4.324 4.324 4.055 0.269 18521 2872 1 3 . 1 1 160 160 SER C C 160 174.952 174.952 176.967 -2.015 18521 2873 1 3 . 1 1 160 160 SER CA C 160 58.851 58.851 61.308 -2.457 18521 2874 1 3 . 1 1 160 160 SER CB C 160 63.704 63.704 62.939 0.765 18521 2875 1 3 . 1 1 160 160 SER H H 160 8.297 8.297 7.497 0.800 18521 2876 1 3 . 1 1 161 161 GLY N N 161 110.851 110.851 106.566 4.285 18521 2877 1 3 . 1 1 161 161 GLY HA H 161 4.146 4.146 4.076 0.070 18521 2878 1 3 . 1 1 161 161 GLY C C 161 173.974 173.974 177.744 -3.770 18521 2879 1 3 . 1 1 161 161 GLY CA C 161 45.348 45.348 48.114 -2.766 18521 2880 1 3 . 1 1 161 161 GLY CB C 161 42.245 42.245 41.761 0.484 18521 2881 1 3 . 1 1 161 161 GLY H H 161 8.328 8.328 8.367 -0.039 18521 2882 1 3 . 1 1 162 162 GLU N N 162 120.859 120.859 119.150 1.709 18521 2883 1 3 . 1 1 162 162 GLU HA H 162 4.211 4.211 4.202 0.009 18521 2884 1 3 . 1 1 162 162 GLU C C 162 177.522 177.522 177.700 -0.178 18521 2885 1 3 . 1 1 162 162 GLU CA C 162 56.065 56.065 58.998 -2.933 18521 2886 1 3 . 1 1 162 162 GLU CB C 162 29.852 29.852 29.173 0.679 18521 2887 1 3 . 1 1 162 162 GLU H H 162 8.244 8.244 7.835 0.409 18521 2888 1 3 . 1 1 163 163 LEU N N 163 124.226 124.226 117.592 6.634 18521 2889 1 3 . 1 1 163 163 LEU HA H 163 3.889 3.889 4.352 -0.463 18521 2890 1 3 . 1 1 163 163 LEU C C 163 178.043 178.043 176.778 1.265 18521 2891 1 3 . 1 1 163 163 LEU CA C 163 57.163 57.163 54.429 2.734 18521 2892 1 3 . 1 1 163 163 LEU CB C 163 41.840 41.840 42.190 -0.350 18521 2893 1 3 . 1 1 163 163 LEU H H 163 8.337 8.337 7.654 0.683 18521 2894 1 3 . 1 1 164 164 ASP N N 164 116.994 116.994 119.375 -2.381 18521 2895 1 3 . 1 1 164 164 ASP HA H 164 4.327 4.327 4.258 0.069 18521 2896 1 3 . 1 1 164 164 ASP C C 164 176.423 176.423 176.868 -0.445 18521 2897 1 3 . 1 1 164 164 ASP CA C 164 55.427 55.427 54.831 0.596 18521 2898 1 3 . 1 1 164 164 ASP H H 164 8.188 8.188 7.664 0.524 18521 2899 1 3 . 1 1 165 165 ASP N N 165 118.967 118.967 119.134 -0.167 18521 2900 1 3 . 1 1 165 165 ASP HA H 165 4.443 4.443 4.466 -0.023 18521 2901 1 3 . 1 1 165 165 ASP C C 165 175.654 175.654 176.324 -0.670 18521 2902 1 3 . 1 1 165 165 ASP CA C 165 54.707 54.707 55.092 -0.384 18521 2903 1 3 . 1 1 165 165 ASP CB C 165 40.973 40.973 41.254 -0.281 18521 2904 1 3 . 1 1 165 165 ASP H H 165 7.701 7.701 8.011 -0.310 18521 2905 1 3 . 1 1 166 166 ILE N N 166 122.002 122.002 119.775 2.227 18521 2906 1 3 . 1 1 166 166 ILE HA H 166 4.049 4.049 4.034 0.015 18521 2907 1 3 . 1 1 166 166 ILE C C 166 175.180 175.180 175.166 0.014 18521 2908 1 3 . 1 1 166 166 ILE CA C 166 60.396 60.396 59.853 0.543 18521 2909 1 3 . 1 1 166 166 ILE CB C 166 39.185 39.185 37.607 1.578 18521 2910 1 3 . 1 1 166 166 ILE H H 166 7.388 7.388 7.209 0.179 18521 2911 1 4 . 1 1 2 2 ALA N N 2 122.445 122.445 123.318 -0.873 18521 2912 1 4 . 1 1 2 2 ALA HA H 2 4.045 4.045 4.027 0.018 18521 2913 1 4 . 1 1 2 2 ALA C C 2 179.992 179.992 179.367 0.625 18521 2914 1 4 . 1 1 2 2 ALA CA C 2 55.140 55.140 54.860 0.280 18521 2915 1 4 . 1 1 2 2 ALA CB C 2 18.482 18.482 18.386 0.096 18521 2916 1 4 . 1 1 2 2 ALA H H 2 8.545 8.545 8.628 -0.083 18521 2917 1 4 . 1 1 3 3 SER N N 3 115.544 115.544 113.534 2.010 18521 2918 1 4 . 1 1 3 3 SER HA H 3 4.030 4.030 4.209 -0.179 18521 2919 1 4 . 1 1 3 3 SER C C 3 176.584 176.584 176.595 -0.011 18521 2920 1 4 . 1 1 3 3 SER CA C 3 60.748 60.748 61.025 -0.277 18521 2921 1 4 . 1 1 3 3 SER CB C 3 62.416 62.416 62.532 -0.116 18521 2922 1 4 . 1 1 3 3 SER H H 3 8.009 8.009 8.300 -0.291 18521 2923 1 4 . 1 1 4 4 ASN N N 4 123.103 123.103 119.395 3.708 18521 2924 1 4 . 1 1 4 4 ASN HA H 4 4.318 4.318 4.492 -0.174 18521 2925 1 4 . 1 1 4 4 ASN C C 4 176.215 176.215 176.956 -0.741 18521 2926 1 4 . 1 1 4 4 ASN CA C 4 55.580 55.580 55.895 -0.315 18521 2927 1 4 . 1 1 4 4 ASN CB C 4 38.154 38.154 38.050 0.104 18521 2928 1 4 . 1 1 4 4 ASN H H 4 7.965 7.965 7.659 0.306 18521 2929 1 4 . 1 1 5 5 ALA N N 5 122.314 122.314 121.574 0.740 18521 2930 1 4 . 1 1 5 5 ALA HA H 5 3.560 3.560 3.932 -0.372 18521 2931 1 4 . 1 1 5 5 ALA C C 5 178.543 178.543 178.913 -0.370 18521 2932 1 4 . 1 1 5 5 ALA CA C 5 55.774 55.774 55.266 0.508 18521 2933 1 4 . 1 1 5 5 ALA CB C 5 17.638 17.638 18.117 -0.479 18521 2934 1 4 . 1 1 5 5 ALA H H 5 8.721 8.721 7.483 1.238 18521 2935 1 4 . 1 1 6 6 ALA N N 6 117.886 117.886 121.561 -3.675 18521 2936 1 4 . 1 1 6 6 ALA HA H 6 3.784 3.784 4.031 -0.247 18521 2937 1 4 . 1 1 6 6 ALA C C 6 180.378 180.378 179.579 0.799 18521 2938 1 4 . 1 1 6 6 ALA CA C 6 55.240 55.240 54.997 0.243 18521 2939 1 4 . 1 1 6 6 ALA CB C 6 17.890 17.890 17.981 -0.091 18521 2940 1 4 . 1 1 6 6 ALA H H 6 7.891 7.891 7.386 0.505 18521 2941 1 4 . 1 1 7 7 ARG N N 7 120.992 120.992 119.274 1.718 18521 2942 1 4 . 1 1 7 7 ARG HA H 7 3.770 3.770 4.044 -0.274 18521 2943 1 4 . 1 1 7 7 ARG C C 7 179.531 179.531 178.575 0.956 18521 2944 1 4 . 1 1 7 7 ARG CA C 7 59.249 59.249 59.414 -0.165 18521 2945 1 4 . 1 1 7 7 ARG CB C 7 29.546 29.546 30.393 -0.847 18521 2946 1 4 . 1 1 7 7 ARG H H 7 7.503 7.503 7.680 -0.177 18521 2947 1 4 . 1 1 8 8 VAL N N 8 123.707 123.707 119.626 4.081 18521 2948 1 4 . 1 1 8 8 VAL HA H 8 3.285 3.285 3.812 -0.527 18521 2949 1 4 . 1 1 8 8 VAL C C 8 177.740 177.740 178.238 -0.498 18521 2950 1 4 . 1 1 8 8 VAL CA C 8 67.839 67.839 66.226 1.613 18521 2951 1 4 . 1 1 8 8 VAL CB C 8 31.516 31.516 31.255 0.261 18521 2952 1 4 . 1 1 8 8 VAL H H 8 8.176 8.176 8.016 0.160 18521 2953 1 4 . 1 1 9 9 VAL N N 9 119.893 119.893 120.441 -0.548 18521 2954 1 4 . 1 1 9 9 VAL HA H 9 3.286 3.286 3.492 -0.206 18521 2955 1 4 . 1 1 9 9 VAL C C 9 177.535 177.535 177.964 -0.429 18521 2956 1 4 . 1 1 9 9 VAL CA C 9 67.549 67.549 67.268 0.281 18521 2957 1 4 . 1 1 9 9 VAL CB C 9 31.683 31.683 31.245 0.438 18521 2958 1 4 . 1 1 9 9 VAL H H 9 8.329 8.329 7.736 0.593 18521 2959 1 4 . 1 1 10 10 ALA N N 10 122.541 122.541 121.402 1.139 18521 2960 1 4 . 1 1 10 10 ALA HA H 10 3.971 3.971 4.078 -0.107 18521 2961 1 4 . 1 1 10 10 ALA C C 10 177.093 177.093 179.723 -2.630 18521 2962 1 4 . 1 1 10 10 ALA CA C 10 55.448 55.448 55.514 -0.066 18521 2963 1 4 . 1 1 10 10 ALA CB C 10 17.791 17.791 18.350 -0.559 18521 2964 1 4 . 1 1 10 10 ALA H H 10 7.802 7.802 8.106 -0.304 18521 2965 1 4 . 1 1 11 11 THR N N 11 116.946 116.946 115.370 1.576 18521 2966 1 4 . 1 1 11 11 THR HA H 11 3.821 3.821 4.010 -0.189 18521 2967 1 4 . 1 1 11 11 THR C C 11 175.702 175.702 176.695 -0.993 18521 2968 1 4 . 1 1 11 11 THR CA C 11 66.531 66.531 66.224 0.307 18521 2969 1 4 . 1 1 11 11 THR CB C 11 68.493 68.493 68.523 -0.031 18521 2970 1 4 . 1 1 11 11 THR H H 11 8.187 8.187 8.598 -0.411 18521 2971 1 4 . 1 1 12 12 ALA N N 12 125.357 125.357 124.509 0.848 18521 2972 1 4 . 1 1 12 12 ALA HA H 12 4.003 4.003 4.016 -0.013 18521 2973 1 4 . 1 1 12 12 ALA C C 12 179.401 179.401 179.358 0.043 18521 2974 1 4 . 1 1 12 12 ALA CA C 12 56.083 56.083 55.333 0.750 18521 2975 1 4 . 1 1 12 12 ALA CB C 12 18.855 18.855 18.184 0.670 18521 2976 1 4 . 1 1 12 12 ALA H H 12 8.641 8.641 8.557 0.084 18521 2977 1 4 . 1 1 13 13 LYS N N 13 117.246 117.246 117.337 -0.091 18521 2978 1 4 . 1 1 13 13 LYS HA H 13 3.964 3.964 4.009 -0.045 18521 2979 1 4 . 1 1 13 13 LYS C C 13 180.132 180.132 178.390 1.742 18521 2980 1 4 . 1 1 13 13 LYS CA C 13 58.991 58.991 59.511 -0.520 18521 2981 1 4 . 1 1 13 13 LYS CB C 13 32.014 32.014 32.057 -0.043 18521 2982 1 4 . 1 1 13 13 LYS H H 13 7.961 7.961 7.651 0.310 18521 2983 1 4 . 1 1 14 14 ASP N N 14 122.162 122.162 119.639 2.523 18521 2984 1 4 . 1 1 14 14 ASP HA H 14 4.355 4.355 4.412 -0.057 18521 2985 1 4 . 1 1 14 14 ASP C C 14 179.394 179.394 178.280 1.114 18521 2986 1 4 . 1 1 14 14 ASP CA C 14 57.524 57.524 56.881 0.643 18521 2987 1 4 . 1 1 14 14 ASP CB C 14 39.984 39.984 40.466 -0.482 18521 2988 1 4 . 1 1 14 14 ASP H H 14 7.702 7.702 7.893 -0.191 18521 2989 1 4 . 1 1 15 15 PHE N N 15 119.552 119.552 117.961 1.591 18521 2990 1 4 . 1 1 15 15 PHE HA H 15 4.307 4.307 4.201 0.106 18521 2991 1 4 . 1 1 15 15 PHE C C 15 178.383 178.383 177.869 0.514 18521 2992 1 4 . 1 1 15 15 PHE CA C 15 62.313 62.313 61.379 0.934 18521 2993 1 4 . 1 1 15 15 PHE CB C 15 37.340 37.340 38.767 -1.427 18521 2994 1 4 . 1 1 15 15 PHE H H 15 7.970 7.970 7.733 0.237 18521 2995 1 4 . 1 1 16 16 ASP N N 16 121.464 121.464 119.635 1.829 18521 2996 1 4 . 1 1 16 16 ASP HA H 16 4.016 4.016 4.427 -0.411 18521 2997 1 4 . 1 1 16 16 ASP C C 16 179.923 179.923 179.238 0.685 18521 2998 1 4 . 1 1 16 16 ASP CA C 16 58.030 58.030 57.160 0.870 18521 2999 1 4 . 1 1 16 16 ASP CB C 16 41.407 41.407 40.649 0.758 18521 3000 1 4 . 1 1 16 16 ASP H H 16 8.259 8.259 7.775 0.484 18521 3001 1 4 . 1 1 17 17 LYS N N 17 118.806 118.806 120.134 -1.328 18521 3002 1 4 . 1 1 17 17 LYS HA H 17 4.047 4.047 4.136 -0.089 18521 3003 1 4 . 1 1 17 17 LYS C C 17 178.432 178.432 177.802 0.630 18521 3004 1 4 . 1 1 17 17 LYS CA C 17 59.018 59.018 58.923 0.095 18521 3005 1 4 . 1 1 17 17 LYS CB C 17 32.592 32.592 32.652 -0.060 18521 3006 1 4 . 1 1 17 17 LYS H H 17 7.842 7.842 7.608 0.234 18521 3007 1 4 . 1 1 18 18 VAL N N 18 110.416 110.416 117.082 -6.666 18521 3008 1 4 . 1 1 18 18 VAL HA H 18 4.523 4.523 4.058 0.465 18521 3009 1 4 . 1 1 18 18 VAL C C 18 176.089 176.089 175.924 0.165 18521 3010 1 4 . 1 1 18 18 VAL CA C 18 60.797 60.797 63.066 -2.269 18521 3011 1 4 . 1 1 18 18 VAL CB C 18 31.194 31.194 31.938 -0.744 18521 3012 1 4 . 1 1 18 18 VAL H H 18 7.198 7.198 7.321 -0.123 18521 3013 1 4 . 1 1 19 19 GLY N N 19 109.008 109.008 107.881 1.127 18521 3014 1 4 . 1 1 19 19 GLY C C 19 175.070 175.070 174.665 0.405 18521 3015 1 4 . 1 1 19 19 GLY CA C 19 45.842 45.842 45.380 0.462 18521 3016 1 4 . 1 1 19 19 GLY H H 19 7.731 7.731 7.677 0.054 18521 3017 1 4 . 1 1 20 20 LEU N N 20 125.244 125.244 122.941 2.303 18521 3018 1 4 . 1 1 20 20 LEU HA H 20 4.938 4.938 4.633 0.305 18521 3019 1 4 . 1 1 20 20 LEU C C 20 177.890 177.890 176.962 0.928 18521 3020 1 4 . 1 1 20 20 LEU CA C 20 52.674 52.674 53.118 -0.444 18521 3021 1 4 . 1 1 20 20 LEU CB C 20 40.239 40.239 40.006 0.233 18521 3022 1 4 . 1 1 20 20 LEU H H 20 8.102 8.102 8.257 -0.155 18521 3023 1 4 . 1 1 21 21 GLY N N 21 108.031 108.031 109.984 -1.953 18521 3024 1 4 . 1 1 21 21 GLY C C 21 176.174 176.174 176.091 0.083 18521 3025 1 4 . 1 1 21 21 GLY CA C 21 47.352 47.352 47.411 -0.059 18521 3026 1 4 . 1 1 21 21 GLY H H 21 8.046 8.046 8.008 0.038 18521 3027 1 4 . 1 1 22 22 ILE N N 22 121.173 121.173 122.170 -0.997 18521 3028 1 4 . 1 1 22 22 ILE HA H 22 3.944 3.944 3.875 0.069 18521 3029 1 4 . 1 1 22 22 ILE C C 22 176.119 176.119 177.817 -1.698 18521 3030 1 4 . 1 1 22 22 ILE CA C 22 61.179 61.179 64.482 -3.303 18521 3031 1 4 . 1 1 22 22 ILE CB C 22 35.934 35.934 37.423 -1.489 18521 3032 1 4 . 1 1 22 22 ILE H H 22 8.395 8.395 8.060 0.335 18521 3033 1 4 . 1 1 23 23 ILE N N 23 120.647 120.647 119.851 0.796 18521 3034 1 4 . 1 1 23 23 ILE HA H 23 3.713 3.713 3.837 -0.124 18521 3035 1 4 . 1 1 23 23 ILE C C 23 178.458 178.458 178.615 -0.157 18521 3036 1 4 . 1 1 23 23 ILE CA C 23 64.266 64.266 62.322 1.944 18521 3037 1 4 . 1 1 23 23 ILE CB C 23 36.272 36.272 36.127 0.145 18521 3038 1 4 . 1 1 23 23 ILE H H 23 6.824 6.824 7.618 -0.794 18521 3039 1 4 . 1 1 24 24 GLY N N 24 103.326 103.326 107.898 -4.572 18521 3040 1 4 . 1 1 24 24 GLY C C 24 174.914 174.914 175.596 -0.682 18521 3041 1 4 . 1 1 24 24 GLY CA C 24 47.998 47.998 47.048 0.950 18521 3042 1 4 . 1 1 24 24 GLY H H 24 7.412 7.412 7.719 -0.307 18521 3043 1 4 . 1 1 25 25 TYR N N 25 124.188 124.188 124.001 0.187 18521 3044 1 4 . 1 1 25 25 TYR HA H 25 3.734 3.734 3.733 0.001 18521 3045 1 4 . 1 1 25 25 TYR C C 25 176.055 176.055 177.145 -1.090 18521 3046 1 4 . 1 1 25 25 TYR CA C 25 60.962 60.962 60.746 0.216 18521 3047 1 4 . 1 1 25 25 TYR CB C 25 37.888 37.888 37.661 0.227 18521 3048 1 4 . 1 1 25 25 TYR H H 25 7.861 7.861 8.149 -0.288 18521 3049 1 4 . 1 1 26 26 TYR N N 26 117.390 117.390 117.226 0.164 18521 3050 1 4 . 1 1 26 26 TYR HA H 26 3.881 3.881 3.920 -0.039 18521 3051 1 4 . 1 1 26 26 TYR C C 26 178.653 178.653 177.976 0.677 18521 3052 1 4 . 1 1 26 26 TYR CA C 26 64.270 64.270 62.371 1.899 18521 3053 1 4 . 1 1 26 26 TYR CB C 26 37.453 37.453 38.181 -0.728 18521 3054 1 4 . 1 1 26 26 TYR H H 26 7.594 7.594 7.522 0.072 18521 3055 1 4 . 1 1 27 27 LEU N N 27 118.536 118.536 119.575 -1.039 18521 3056 1 4 . 1 1 27 27 LEU HA H 27 4.277 4.277 3.737 0.540 18521 3057 1 4 . 1 1 27 27 LEU C C 27 179.025 179.025 178.879 0.146 18521 3058 1 4 . 1 1 27 27 LEU CA C 27 58.382 58.382 58.154 0.228 18521 3059 1 4 . 1 1 27 27 LEU CB C 27 42.595 42.595 41.029 1.566 18521 3060 1 4 . 1 1 27 27 LEU H H 27 8.226 8.226 7.832 0.394 18521 3061 1 4 . 1 1 28 28 GLN N N 28 119.110 119.110 117.984 1.126 18521 3062 1 4 . 1 1 28 28 GLN HA H 28 3.665 3.665 3.823 -0.158 18521 3063 1 4 . 1 1 28 28 GLN C C 28 177.406 177.406 178.366 -0.960 18521 3064 1 4 . 1 1 28 28 GLN CA C 28 60.626 60.626 59.002 1.624 18521 3065 1 4 . 1 1 28 28 GLN CB C 28 28.959 28.959 28.544 0.415 18521 3066 1 4 . 1 1 28 28 GLN H H 28 8.007 8.007 8.267 -0.260 18521 3067 1 4 . 1 1 29 29 LEU N N 29 121.623 121.623 120.745 0.878 18521 3068 1 4 . 1 1 29 29 LEU HA H 29 3.718 3.718 3.851 -0.133 18521 3069 1 4 . 1 1 29 29 LEU C C 29 179.706 179.706 177.974 1.732 18521 3070 1 4 . 1 1 29 29 LEU CA C 29 58.382 58.382 57.441 0.941 18521 3071 1 4 . 1 1 29 29 LEU CB C 29 42.114 42.114 41.433 0.681 18521 3072 1 4 . 1 1 29 29 LEU H H 29 7.938 7.938 7.329 0.609 18521 3073 1 4 . 1 1 30 30 TYR N N 30 120.084 120.084 120.353 -0.269 18521 3074 1 4 . 1 1 30 30 TYR HA H 30 4.132 4.132 3.826 0.306 18521 3075 1 4 . 1 1 30 30 TYR C C 30 175.611 175.611 176.915 -1.304 18521 3076 1 4 . 1 1 30 30 TYR CA C 30 58.951 58.951 60.908 -1.957 18521 3077 1 4 . 1 1 30 30 TYR CB C 30 39.302 39.302 37.931 1.371 18521 3078 1 4 . 1 1 30 30 TYR H H 30 7.974 7.974 8.044 -0.070 18521 3079 1 4 . 1 1 31 31 ALA N N 31 121.802 121.802 121.187 0.615 18521 3080 1 4 . 1 1 31 31 ALA HA H 31 3.343 3.343 3.657 -0.314 18521 3081 1 4 . 1 1 31 31 ALA C C 31 178.911 178.911 179.261 -0.350 18521 3082 1 4 . 1 1 31 31 ALA CA C 31 55.429 55.429 54.828 0.601 18521 3083 1 4 . 1 1 31 31 ALA CB C 31 17.895 17.895 17.901 -0.005 18521 3084 1 4 . 1 1 31 31 ALA H H 31 8.504 8.504 8.109 0.395 18521 3085 1 4 . 1 1 32 32 VAL N N 32 116.528 116.528 118.780 -2.252 18521 3086 1 4 . 1 1 32 32 VAL HA H 32 3.249 3.249 3.330 -0.081 18521 3087 1 4 . 1 1 32 32 VAL C C 32 176.963 176.963 177.812 -0.849 18521 3088 1 4 . 1 1 32 32 VAL CA C 32 67.723 67.723 67.059 0.664 18521 3089 1 4 . 1 1 32 32 VAL CB C 32 31.403 31.403 31.707 -0.304 18521 3090 1 4 . 1 1 32 32 VAL H H 32 8.027 8.027 7.629 0.398 18521 3091 1 4 . 1 1 33 33 GLU N N 33 118.609 118.609 119.343 -0.734 18521 3092 1 4 . 1 1 33 33 GLU HA H 33 3.804 3.804 3.932 -0.128 18521 3093 1 4 . 1 1 33 33 GLU C C 33 180.234 180.234 179.195 1.039 18521 3094 1 4 . 1 1 33 33 GLU CA C 33 59.446 59.446 59.316 0.130 18521 3095 1 4 . 1 1 33 33 GLU CB C 33 28.711 28.711 29.416 -0.705 18521 3096 1 4 . 1 1 33 33 GLU H H 33 7.299 7.299 7.441 -0.142 18521 3097 1 4 . 1 1 34 34 LEU N N 34 120.831 120.831 120.682 0.149 18521 3098 1 4 . 1 1 34 34 LEU HA H 34 3.702 3.702 3.882 -0.180 18521 3099 1 4 . 1 1 34 34 LEU C C 34 180.024 180.024 179.155 0.869 18521 3100 1 4 . 1 1 34 34 LEU CA C 34 57.815 57.815 58.198 -0.383 18521 3101 1 4 . 1 1 34 34 LEU CB C 34 42.097 42.097 41.511 0.586 18521 3102 1 4 . 1 1 34 34 LEU H H 34 8.168 8.168 7.233 0.935 18521 3103 1 4 . 1 1 35 35 ILE N N 35 120.733 120.733 119.026 1.707 18521 3104 1 4 . 1 1 35 35 ILE HA H 35 3.589 3.589 3.615 -0.026 18521 3105 1 4 . 1 1 35 35 ILE C C 35 178.501 178.501 179.020 -0.519 18521 3106 1 4 . 1 1 35 35 ILE CA C 35 65.363 65.363 65.172 0.191 18521 3107 1 4 . 1 1 35 35 ILE CB C 35 38.960 38.960 37.976 0.984 18521 3108 1 4 . 1 1 35 35 ILE H H 35 8.064 8.064 7.481 0.583 18521 3109 1 4 . 1 1 36 36 LEU N N 36 115.519 115.519 118.866 -3.347 18521 3110 1 4 . 1 1 36 36 LEU HA H 36 3.958 3.958 3.999 -0.041 18521 3111 1 4 . 1 1 36 36 LEU C C 36 178.244 178.244 178.155 0.089 18521 3112 1 4 . 1 1 36 36 LEU CA C 36 56.069 56.069 57.319 -1.250 18521 3113 1 4 . 1 1 36 36 LEU CB C 36 40.528 40.528 41.703 -1.175 18521 3114 1 4 . 1 1 36 36 LEU H H 36 8.370 8.370 7.597 0.773 18521 3115 1 4 . 1 1 37 37 SER N N 37 113.976 113.976 110.800 3.176 18521 3116 1 4 . 1 1 37 37 SER HA H 37 4.197 4.197 4.229 -0.032 18521 3117 1 4 . 1 1 37 37 SER C C 37 173.934 173.934 174.924 -0.990 18521 3118 1 4 . 1 1 37 37 SER CA C 37 60.204 60.204 59.049 1.155 18521 3119 1 4 . 1 1 37 37 SER CB C 37 63.507 63.507 63.562 -0.055 18521 3120 1 4 . 1 1 37 37 SER H H 37 7.523 7.523 7.930 -0.407 18521 3121 1 4 . 1 1 38 38 GLU N N 38 123.219 123.219 121.804 1.415 18521 3122 1 4 . 1 1 38 38 GLU HA H 38 4.426 4.426 4.321 0.105 18521 3123 1 4 . 1 1 38 38 GLU C C 38 175.767 175.767 176.205 -0.438 18521 3124 1 4 . 1 1 38 38 GLU CA C 38 55.046 55.046 55.803 -0.757 18521 3125 1 4 . 1 1 38 38 GLU CB C 38 30.395 30.395 30.338 0.057 18521 3126 1 4 . 1 1 38 38 GLU H H 38 7.185 7.185 7.494 -0.309 18521 3127 1 4 . 1 1 39 39 GLU N N 39 126.955 126.955 123.789 3.166 18521 3128 1 4 . 1 1 39 39 GLU HA H 39 3.985 3.985 4.070 -0.085 18521 3129 1 4 . 1 1 39 39 GLU C C 39 176.861 176.861 175.971 0.890 18521 3130 1 4 . 1 1 39 39 GLU CA C 39 58.331 58.331 58.249 0.082 18521 3131 1 4 . 1 1 39 39 GLU CB C 39 30.008 30.008 29.919 0.089 18521 3132 1 4 . 1 1 39 39 GLU H H 39 8.632 8.632 8.573 0.059 18521 3133 1 4 . 1 1 40 40 ASP N N 40 119.763 119.763 119.902 -0.139 18521 3134 1 4 . 1 1 40 40 ASP HA H 40 4.616 4.616 4.698 -0.082 18521 3135 1 4 . 1 1 40 40 ASP C C 40 174.989 174.989 175.373 -0.384 18521 3136 1 4 . 1 1 40 40 ASP CA C 40 53.281 53.281 54.043 -0.762 18521 3137 1 4 . 1 1 40 40 ASP CB C 40 39.814 39.814 40.638 -0.824 18521 3138 1 4 . 1 1 40 40 ASP H H 40 8.560 8.560 8.136 0.424 18521 3139 1 4 . 1 1 41 41 ARG N N 41 119.595 119.595 122.237 -2.642 18521 3140 1 4 . 1 1 41 41 ARG HA H 41 4.390 4.390 4.555 -0.165 18521 3141 1 4 . 1 1 41 41 ARG C C 41 175.553 175.553 174.659 0.894 18521 3142 1 4 . 1 1 41 41 ARG CA C 41 54.707 54.707 55.309 -0.602 18521 3143 1 4 . 1 1 41 41 ARG CB C 41 31.865 31.865 34.062 -2.196 18521 3144 1 4 . 1 1 41 41 ARG H H 41 7.443 7.443 8.506 -1.063 18521 3145 1 4 . 1 1 42 42 SER N N 42 119.463 119.463 118.106 1.357 18521 3146 1 4 . 1 1 42 42 SER HA H 42 4.381 4.381 4.786 -0.405 18521 3147 1 4 . 1 1 42 42 SER C C 42 175.361 175.361 174.962 0.399 18521 3148 1 4 . 1 1 42 42 SER CA C 42 57.137 57.137 56.310 0.827 18521 3149 1 4 . 1 1 42 42 SER CB C 42 65.166 65.166 65.397 -0.231 18521 3150 1 4 . 1 1 42 42 SER H H 42 8.556 8.556 8.363 0.193 18521 3151 1 4 . 1 1 43 43 GLN N N 43 122.535 122.535 122.928 -0.393 18521 3152 1 4 . 1 1 43 43 GLN HA H 43 4.018 4.018 3.940 0.078 18521 3153 1 4 . 1 1 43 43 GLN C C 43 178.768 178.768 178.262 0.506 18521 3154 1 4 . 1 1 43 43 GLN CA C 43 59.073 59.073 59.531 -0.457 18521 3155 1 4 . 1 1 43 43 GLN CB C 43 27.871 27.871 28.593 -0.722 18521 3156 1 4 . 1 1 43 43 GLN H H 43 9.087 9.087 8.910 0.177 18521 3157 1 4 . 1 1 44 44 GLU N N 44 120.308 120.308 119.634 0.674 18521 3158 1 4 . 1 1 44 44 GLU HA H 44 3.982 3.982 4.147 -0.165 18521 3159 1 4 . 1 1 44 44 GLU C C 44 179.737 179.737 178.858 0.879 18521 3160 1 4 . 1 1 44 44 GLU CA C 44 60.142 60.142 59.137 1.005 18521 3161 1 4 . 1 1 44 44 GLU CB C 44 28.801 28.801 29.158 -0.357 18521 3162 1 4 . 1 1 44 44 GLU H H 44 8.958 8.958 8.759 0.199 18521 3163 1 4 . 1 1 45 45 MET N N 45 120.968 120.968 118.432 2.536 18521 3164 1 4 . 1 1 45 45 MET HA H 45 4.432 4.432 4.202 0.230 18521 3165 1 4 . 1 1 45 45 MET C C 45 178.153 178.153 178.697 -0.544 18521 3166 1 4 . 1 1 45 45 MET CA C 45 57.117 57.117 58.853 -1.736 18521 3167 1 4 . 1 1 45 45 MET CB C 45 32.517 32.517 32.576 -0.059 18521 3168 1 4 . 1 1 45 45 MET H H 45 7.740 7.740 7.933 -0.193 18521 3169 1 4 . 1 1 46 46 THR N N 46 120.159 120.159 116.398 3.761 18521 3170 1 4 . 1 1 46 46 THR HA H 46 3.620 3.620 3.895 -0.275 18521 3171 1 4 . 1 1 46 46 THR C C 46 176.389 176.389 176.258 0.131 18521 3172 1 4 . 1 1 46 46 THR CA C 46 67.416 67.416 66.880 0.536 18521 3173 1 4 . 1 1 46 46 THR CB C 46 68.208 68.208 68.724 -0.516 18521 3174 1 4 . 1 1 46 46 THR H H 46 8.190 8.190 8.573 -0.383 18521 3175 1 4 . 1 1 47 47 ALA N N 47 124.729 124.729 124.008 0.721 18521 3176 1 4 . 1 1 47 47 ALA HA H 47 4.060 4.060 4.168 -0.108 18521 3177 1 4 . 1 1 47 47 ALA C C 47 179.554 179.554 179.251 0.303 18521 3178 1 4 . 1 1 47 47 ALA CA C 47 55.195 55.195 54.849 0.346 18521 3179 1 4 . 1 1 47 47 ALA CB C 47 17.654 17.654 18.237 -0.583 18521 3180 1 4 . 1 1 47 47 ALA H H 47 8.292 8.292 7.831 0.461 18521 3181 1 4 . 1 1 48 48 LEU N N 48 122.244 122.244 120.252 1.992 18521 3182 1 4 . 1 1 48 48 LEU HA H 48 4.195 4.195 3.977 0.218 18521 3183 1 4 . 1 1 48 48 LEU C C 48 178.022 178.022 178.435 -0.413 18521 3184 1 4 . 1 1 48 48 LEU CA C 48 57.695 57.695 57.582 0.113 18521 3185 1 4 . 1 1 48 48 LEU CB C 48 41.236 41.236 41.552 -0.316 18521 3186 1 4 . 1 1 48 48 LEU H H 48 7.723 7.723 7.670 0.053 18521 3187 1 4 . 1 1 49 49 ALA N N 49 120.883 120.883 120.296 0.587 18521 3188 1 4 . 1 1 49 49 ALA HA H 49 3.854 3.854 3.914 -0.060 18521 3189 1 4 . 1 1 49 49 ALA C C 49 178.770 178.770 179.376 -0.606 18521 3190 1 4 . 1 1 49 49 ALA CA C 49 55.836 55.836 55.107 0.729 18521 3191 1 4 . 1 1 49 49 ALA CB C 49 17.137 17.137 18.170 -1.033 18521 3192 1 4 . 1 1 49 49 ALA H H 49 8.210 8.210 7.838 0.372 18521 3193 1 4 . 1 1 50 50 THR N N 50 113.676 113.676 114.767 -1.091 18521 3194 1 4 . 1 1 50 50 THR HA H 50 3.765 3.765 3.937 -0.172 18521 3195 1 4 . 1 1 50 50 THR C C 50 175.836 175.836 176.505 -0.669 18521 3196 1 4 . 1 1 50 50 THR CA C 50 66.975 66.975 67.385 -0.410 18521 3197 1 4 . 1 1 50 50 THR CB C 50 68.976 68.976 68.473 0.503 18521 3198 1 4 . 1 1 50 50 THR H H 50 7.891 7.891 7.599 0.292 18521 3199 1 4 . 1 1 51 51 GLU N N 51 123.445 123.445 122.266 1.179 18521 3200 1 4 . 1 1 51 51 GLU HA H 51 4.221 4.221 4.107 0.114 18521 3201 1 4 . 1 1 51 51 GLU C C 51 179.906 179.906 178.717 1.189 18521 3202 1 4 . 1 1 51 51 GLU CA C 51 59.436 59.436 58.958 0.478 18521 3203 1 4 . 1 1 51 51 GLU CB C 51 29.498 29.498 29.223 0.275 18521 3204 1 4 . 1 1 51 51 GLU H H 51 7.877 7.877 7.795 0.082 18521 3205 1 4 . 1 1 52 52 LEU N N 52 121.629 121.629 119.209 2.420 18521 3206 1 4 . 1 1 52 52 LEU HA H 52 3.907 3.907 4.015 -0.108 18521 3207 1 4 . 1 1 52 52 LEU C C 52 178.993 178.993 179.028 -0.035 18521 3208 1 4 . 1 1 52 52 LEU CA C 52 57.840 57.840 57.556 0.284 18521 3209 1 4 . 1 1 52 52 LEU CB C 52 42.076 42.076 41.708 0.368 18521 3210 1 4 . 1 1 52 52 LEU H H 52 8.670 8.670 7.423 1.247 18521 3211 1 4 . 1 1 53 53 LEU N N 53 119.996 119.996 119.947 0.049 18521 3212 1 4 . 1 1 53 53 LEU HA H 53 3.949 3.949 3.787 0.162 18521 3213 1 4 . 1 1 53 53 LEU C C 53 179.950 179.950 178.946 1.004 18521 3214 1 4 . 1 1 53 53 LEU CA C 53 58.480 58.480 58.025 0.455 18521 3215 1 4 . 1 1 53 53 LEU CB C 53 41.341 41.341 41.041 0.300 18521 3216 1 4 . 1 1 53 53 LEU H H 53 8.336 8.336 7.532 0.804 18521 3217 1 4 . 1 1 54 54 ASP N N 54 120.632 120.632 118.956 1.676 18521 3218 1 4 . 1 1 54 54 ASP HA H 54 4.409 4.409 4.424 -0.015 18521 3219 1 4 . 1 1 54 54 ASP C C 54 179.383 179.383 178.872 0.511 18521 3220 1 4 . 1 1 54 54 ASP CA C 54 57.510 57.510 57.391 0.119 18521 3221 1 4 . 1 1 54 54 ASP CB C 54 40.275 40.275 40.039 0.236 18521 3222 1 4 . 1 1 54 54 ASP H H 54 7.884 7.884 7.702 0.182 18521 3223 1 4 . 1 1 55 55 THR N N 55 121.006 121.006 117.462 3.544 18521 3224 1 4 . 1 1 55 55 THR HA H 55 3.923 3.923 4.091 -0.168 18521 3225 1 4 . 1 1 55 55 THR C C 55 177.066 177.066 176.792 0.274 18521 3226 1 4 . 1 1 55 55 THR CA C 55 67.018 67.018 66.612 0.406 18521 3227 1 4 . 1 1 55 55 THR CB C 55 68.725 68.725 68.615 0.110 18521 3228 1 4 . 1 1 55 55 THR H H 55 8.279 8.279 7.429 0.850 18521 3229 1 4 . 1 1 56 56 ILE N N 56 125.465 125.465 122.843 2.622 18521 3230 1 4 . 1 1 56 56 ILE HA H 56 3.748 3.748 3.802 -0.054 18521 3231 1 4 . 1 1 56 56 ILE C C 56 177.879 177.879 178.065 -0.186 18521 3232 1 4 . 1 1 56 56 ILE CA C 56 65.765 65.765 65.802 -0.036 18521 3233 1 4 . 1 1 56 56 ILE CB C 56 38.646 38.646 37.722 0.924 18521 3234 1 4 . 1 1 56 56 ILE H H 56 8.872 8.872 8.420 0.452 18521 3235 1 4 . 1 1 57 57 GLU N N 57 119.951 119.951 119.406 0.545 18521 3236 1 4 . 1 1 57 57 GLU HA H 57 4.034 4.034 3.979 0.055 18521 3237 1 4 . 1 1 57 57 GLU C C 57 179.357 179.357 179.214 0.143 18521 3238 1 4 . 1 1 57 57 GLU CA C 57 59.241 59.241 59.758 -0.517 18521 3239 1 4 . 1 1 57 57 GLU CB C 57 29.226 29.226 29.414 -0.188 18521 3240 1 4 . 1 1 57 57 GLU H H 57 8.024 8.024 7.974 0.050 18521 3241 1 4 . 1 1 58 58 ALA N N 58 122.402 122.402 122.853 -0.451 18521 3242 1 4 . 1 1 58 58 ALA HA H 58 4.044 4.044 4.150 -0.106 18521 3243 1 4 . 1 1 58 58 ALA C C 58 180.049 180.049 179.638 0.411 18521 3244 1 4 . 1 1 58 58 ALA CA C 58 55.167 55.167 55.044 0.123 18521 3245 1 4 . 1 1 58 58 ALA CB C 58 17.836 17.836 18.404 -0.568 18521 3246 1 4 . 1 1 58 58 ALA H H 58 8.026 8.026 8.258 -0.232 18521 3247 1 4 . 1 1 59 59 PHE N N 59 122.034 122.034 120.423 1.611 18521 3248 1 4 . 1 1 59 59 PHE HA H 59 4.165 4.165 4.218 -0.053 18521 3249 1 4 . 1 1 59 59 PHE C C 59 177.169 177.169 177.231 -0.062 18521 3250 1 4 . 1 1 59 59 PHE CA C 59 61.373 61.373 61.238 0.135 18521 3251 1 4 . 1 1 59 59 PHE CB C 59 39.384 39.384 39.721 -0.337 18521 3252 1 4 . 1 1 59 59 PHE H H 59 8.243 8.243 8.839 -0.596 18521 3253 1 4 . 1 1 60 60 LYS N N 60 117.415 117.415 119.597 -2.182 18521 3254 1 4 . 1 1 60 60 LYS HA H 60 3.490 3.490 3.626 -0.136 18521 3255 1 4 . 1 1 60 60 LYS C C 60 179.705 179.705 178.391 1.314 18521 3256 1 4 . 1 1 60 60 LYS CA C 60 60.051 60.051 59.433 0.618 18521 3257 1 4 . 1 1 60 60 LYS CB C 60 32.376 32.376 32.419 -0.043 18521 3258 1 4 . 1 1 60 60 LYS H H 60 7.978 7.978 8.659 -0.681 18521 3259 1 4 . 1 1 61 61 LYS N N 61 119.540 119.540 118.491 1.049 18521 3260 1 4 . 1 1 61 61 LYS HA H 61 3.942 3.942 3.944 -0.002 18521 3261 1 4 . 1 1 61 61 LYS C C 61 178.728 178.728 178.495 0.233 18521 3262 1 4 . 1 1 61 61 LYS CA C 61 58.878 58.878 59.499 -0.621 18521 3263 1 4 . 1 1 61 61 LYS CB C 61 32.626 32.626 32.240 0.386 18521 3264 1 4 . 1 1 61 61 LYS H H 61 7.853 7.853 8.184 -0.331 18521 3265 1 4 . 1 1 62 62 GLU N N 62 121.166 121.166 116.309 4.857 18521 3266 1 4 . 1 1 62 62 GLU HA H 62 3.933 3.933 4.034 -0.101 18521 3267 1 4 . 1 1 62 62 GLU C C 62 178.405 178.405 177.178 1.227 18521 3268 1 4 . 1 1 62 62 GLU CA C 62 58.655 58.655 58.440 0.215 18521 3269 1 4 . 1 1 62 62 GLU CB C 62 29.439 29.439 29.661 -0.222 18521 3270 1 4 . 1 1 62 62 GLU H H 62 7.956 7.956 7.532 0.424 18521 3271 1 4 . 1 1 63 63 ILE N N 63 117.896 117.896 116.826 1.070 18521 3272 1 4 . 1 1 63 63 ILE HA H 63 3.707 3.707 4.175 -0.468 18521 3273 1 4 . 1 1 63 63 ILE C C 63 177.438 177.438 176.676 0.762 18521 3274 1 4 . 1 1 63 63 ILE CA C 63 61.473 61.473 60.229 1.244 18521 3275 1 4 . 1 1 63 63 ILE CB C 63 36.546 36.546 38.930 -2.384 18521 3276 1 4 . 1 1 63 63 ILE H H 63 7.652 7.652 7.225 0.427 18521 3277 1 4 . 1 1 64 64 GLY N N 64 108.028 108.028 109.758 -1.730 18521 3278 1 4 . 1 1 64 64 GLY C C 64 175.261 175.261 175.272 -0.011 18521 3279 1 4 . 1 1 64 64 GLY CA C 64 45.891 45.891 46.857 -0.966 18521 3280 1 4 . 1 1 64 64 GLY H H 64 7.654 7.654 8.111 -0.457 18521 3281 1 4 . 1 1 65 65 GLY N N 65 108.488 108.488 106.813 1.675 18521 3282 1 4 . 1 1 65 65 GLY C C 65 174.844 174.844 174.364 0.480 18521 3283 1 4 . 1 1 65 65 GLY CA C 65 45.608 45.608 45.200 0.408 18521 3284 1 4 . 1 1 65 65 GLY H H 65 7.817 7.817 8.355 -0.538 18521 3285 1 4 . 1 1 66 66 GLU N N 66 121.078 121.078 120.866 0.212 18521 3286 1 4 . 1 1 66 66 GLU HA H 66 4.167 4.167 4.157 0.010 18521 3287 1 4 . 1 1 66 66 GLU C C 66 177.218 177.218 177.694 -0.476 18521 3288 1 4 . 1 1 66 66 GLU CA C 66 57.075 57.075 57.259 -0.184 18521 3289 1 4 . 1 1 66 66 GLU CB C 66 30.015 30.015 29.905 0.110 18521 3290 1 4 . 1 1 66 66 GLU H H 66 8.195 8.195 8.132 0.063 18521 3291 1 4 . 1 1 67 67 SER N N 67 116.370 116.370 115.561 0.809 18521 3292 1 4 . 1 1 67 67 SER HA H 67 4.187 4.187 4.240 -0.053 18521 3293 1 4 . 1 1 67 67 SER C C 67 174.670 174.670 176.427 -1.757 18521 3294 1 4 . 1 1 67 67 SER CA C 67 58.875 58.875 61.680 -2.805 18521 3295 1 4 . 1 1 67 67 SER CB C 67 63.783 63.783 63.059 0.724 18521 3296 1 4 . 1 1 67 67 SER H H 67 8.205 8.205 8.594 -0.389 18521 3297 1 4 . 1 1 68 68 GLU N N 68 122.388 122.388 120.345 2.043 18521 3298 1 4 . 1 1 68 68 GLU HA H 68 4.173 4.173 4.101 0.072 18521 3299 1 4 . 1 1 68 68 GLU C C 68 176.364 176.364 178.043 -1.679 18521 3300 1 4 . 1 1 68 68 GLU CA C 68 56.734 56.734 59.050 -2.317 18521 3301 1 4 . 1 1 68 68 GLU CB C 68 29.986 29.986 29.114 0.872 18521 3302 1 4 . 1 1 68 68 GLU H H 68 8.170 8.170 8.602 -0.432 18521 3303 1 4 . 1 1 69 69 ALA N N 69 124.265 124.265 121.545 2.720 18521 3304 1 4 . 1 1 69 69 ALA HA H 69 4.212 4.212 4.243 -0.031 18521 3305 1 4 . 1 1 69 69 ALA C C 69 178.042 178.042 178.831 -0.789 18521 3306 1 4 . 1 1 69 69 ALA CA C 69 52.468 52.468 54.818 -2.349 18521 3307 1 4 . 1 1 69 69 ALA CB C 69 19.411 19.411 18.274 1.137 18521 3308 1 4 . 1 1 69 69 ALA H H 69 7.931 7.931 7.407 0.524 18521 3309 1 4 . 1 1 70 70 GLU N N 70 121.086 121.086 117.373 3.713 18521 3310 1 4 . 1 1 70 70 GLU HA H 70 4.110 4.110 3.992 0.118 18521 3311 1 4 . 1 1 70 70 GLU C C 70 180.047 180.047 178.468 1.579 18521 3312 1 4 . 1 1 70 70 GLU CA C 70 57.325 57.325 58.793 -1.468 18521 3313 1 4 . 1 1 70 70 GLU CB C 70 29.969 29.969 29.536 0.433 18521 3314 1 4 . 1 1 70 70 GLU H H 70 8.447 8.447 7.856 0.591 18521 3315 1 4 . 1 1 71 71 ASP N N 71 120.210 120.210 118.951 1.259 18521 3316 1 4 . 1 1 71 71 ASP HA H 71 4.545 4.545 4.529 0.016 18521 3317 1 4 . 1 1 71 71 ASP C C 71 176.385 176.385 176.877 -0.492 18521 3318 1 4 . 1 1 71 71 ASP CA C 71 54.149 54.149 56.392 -2.243 18521 3319 1 4 . 1 1 71 71 ASP CB C 71 40.756 40.756 41.702 -0.946 18521 3320 1 4 . 1 1 71 71 ASP H H 71 8.308 8.308 7.588 0.720 18521 3321 1 4 . 1 1 72 72 SER N N 72 116.137 116.137 112.959 3.178 18521 3322 1 4 . 1 1 72 72 SER HA H 72 4.259 4.259 4.573 -0.314 18521 3323 1 4 . 1 1 72 72 SER C C 72 174.578 174.578 173.005 1.573 18521 3324 1 4 . 1 1 72 72 SER CA C 72 58.851 58.851 57.993 0.858 18521 3325 1 4 . 1 1 72 72 SER CB C 72 63.870 63.870 64.102 -0.232 18521 3326 1 4 . 1 1 72 72 SER H H 72 7.954 7.954 8.102 -0.148 18521 3327 1 4 . 1 1 73 73 ASP N N 73 122.500 122.500 123.307 -0.807 18521 3328 1 4 . 1 1 73 73 ASP HA H 73 4.534 4.534 4.733 -0.199 18521 3329 1 4 . 1 1 73 73 ASP C C 73 176.903 176.903 175.746 1.157 18521 3330 1 4 . 1 1 73 73 ASP CA C 73 54.442 54.442 55.091 -0.649 18521 3331 1 4 . 1 1 73 73 ASP CB C 73 41.253 41.253 40.892 0.361 18521 3332 1 4 . 1 1 73 73 ASP H H 73 8.384 8.384 8.637 -0.253 18521 3333 1 4 . 1 1 74 74 LYS N N 74 123.374 123.374 120.287 3.087 18521 3334 1 4 . 1 1 74 74 LYS HA H 74 4.099 4.099 4.245 -0.146 18521 3335 1 4 . 1 1 74 74 LYS C C 74 177.606 177.606 178.334 -0.728 18521 3336 1 4 . 1 1 74 74 LYS CA C 74 57.527 57.527 57.894 -0.367 18521 3337 1 4 . 1 1 74 74 LYS CB C 74 32.115 32.115 32.851 -0.736 18521 3338 1 4 . 1 1 74 74 LYS H H 74 8.338 8.338 7.883 0.455 18521 3339 1 4 . 1 1 75 75 SER N N 75 116.404 116.404 116.391 0.013 18521 3340 1 4 . 1 1 75 75 SER HA H 75 4.190 4.190 4.295 -0.105 18521 3341 1 4 . 1 1 75 75 SER C C 75 176.030 176.030 176.502 -0.472 18521 3342 1 4 . 1 1 75 75 SER CA C 75 60.560 60.560 61.055 -0.495 18521 3343 1 4 . 1 1 75 75 SER CB C 75 62.971 62.971 62.360 0.611 18521 3344 1 4 . 1 1 75 75 SER H H 75 8.409 8.409 8.383 0.026 18521 3345 1 4 . 1 1 76 76 LEU N N 76 123.753 123.753 123.268 0.485 18521 3346 1 4 . 1 1 76 76 LEU HA H 76 4.121 4.121 4.124 -0.003 18521 3347 1 4 . 1 1 76 76 LEU C C 76 178.263 178.263 177.641 0.622 18521 3348 1 4 . 1 1 76 76 LEU CA C 76 56.665 56.665 57.462 -0.796 18521 3349 1 4 . 1 1 76 76 LEU CB C 76 41.538 41.538 41.623 -0.085 18521 3350 1 4 . 1 1 76 76 LEU H H 76 8.068 8.068 7.934 0.134 18521 3351 1 4 . 1 1 77 77 HIS N N 77 120.235 120.235 118.537 1.698 18521 3352 1 4 . 1 1 77 77 HIS HA H 77 4.372 4.372 4.216 0.156 18521 3353 1 4 . 1 1 77 77 HIS C C 77 177.974 177.974 177.219 0.755 18521 3354 1 4 . 1 1 77 77 HIS CA C 77 58.504 58.504 60.103 -1.599 18521 3355 1 4 . 1 1 77 77 HIS CB C 77 30.124 30.124 29.681 0.443 18521 3356 1 4 . 1 1 77 77 HIS H H 77 7.955 7.955 8.130 -0.175 18521 3357 1 4 . 1 1 78 78 VAL N N 78 121.721 121.721 120.594 1.127 18521 3358 1 4 . 1 1 78 78 VAL HA H 78 3.612 3.612 3.869 -0.257 18521 3359 1 4 . 1 1 78 78 VAL C C 78 177.688 177.688 177.857 -0.169 18521 3360 1 4 . 1 1 78 78 VAL CA C 78 65.817 65.817 65.894 -0.076 18521 3361 1 4 . 1 1 78 78 VAL CB C 78 31.729 31.729 31.885 -0.156 18521 3362 1 4 . 1 1 78 78 VAL H H 78 7.953 7.953 7.533 0.420 18521 3363 1 4 . 1 1 79 79 MET N N 79 119.138 119.138 118.482 0.656 18521 3364 1 4 . 1 1 79 79 MET HA H 79 3.879 3.879 3.995 -0.116 18521 3365 1 4 . 1 1 79 79 MET C C 79 180.609 180.609 177.818 2.791 18521 3366 1 4 . 1 1 79 79 MET CA C 79 59.210 59.210 59.160 0.050 18521 3367 1 4 . 1 1 79 79 MET CB C 79 34.157 34.157 32.322 1.835 18521 3368 1 4 . 1 1 79 79 MET H H 79 8.132 8.132 7.818 0.314 18521 3369 1 4 . 1 1 80 80 ASN N N 80 117.000 117.000 117.535 -0.535 18521 3370 1 4 . 1 1 80 80 ASN HA H 80 4.161 4.161 4.483 -0.322 18521 3371 1 4 . 1 1 80 80 ASN C C 80 178.212 178.212 177.111 1.101 18521 3372 1 4 . 1 1 80 80 ASN CA C 80 56.827 56.827 56.848 -0.021 18521 3373 1 4 . 1 1 80 80 ASN CB C 80 38.920 38.920 37.778 1.142 18521 3374 1 4 . 1 1 80 80 ASN H H 80 8.195 8.195 8.485 -0.290 18521 3375 1 4 . 1 1 81 81 THR N N 81 116.021 116.021 117.520 -1.499 18521 3376 1 4 . 1 1 81 81 THR HA H 81 3.975 3.975 4.081 -0.106 18521 3377 1 4 . 1 1 81 81 THR C C 81 175.237 175.237 176.596 -1.359 18521 3378 1 4 . 1 1 81 81 THR CA C 81 66.507 66.507 66.372 0.135 18521 3379 1 4 . 1 1 81 81 THR CB C 81 68.813 68.813 68.682 0.131 18521 3380 1 4 . 1 1 81 81 THR H H 81 7.952 7.952 7.986 -0.034 18521 3381 1 4 . 1 1 82 82 LEU N N 82 119.041 119.041 120.222 -1.181 18521 3382 1 4 . 1 1 82 82 LEU HA H 82 4.040 4.040 4.138 -0.098 18521 3383 1 4 . 1 1 82 82 LEU C C 82 177.541 177.541 178.221 -0.680 18521 3384 1 4 . 1 1 82 82 LEU CA C 82 56.468 56.468 57.646 -1.178 18521 3385 1 4 . 1 1 82 82 LEU CB C 82 42.247 42.247 41.881 0.366 18521 3386 1 4 . 1 1 82 82 LEU H H 82 7.655 7.655 7.639 0.016 18521 3387 1 4 . 1 1 83 83 ILE N N 83 118.063 118.063 115.686 2.377 18521 3388 1 4 . 1 1 83 83 ILE HA H 83 3.805 3.805 3.958 -0.153 18521 3389 1 4 . 1 1 83 83 ILE C C 83 176.681 176.681 178.214 -1.533 18521 3390 1 4 . 1 1 83 83 ILE CA C 83 63.188 63.188 63.844 -0.656 18521 3391 1 4 . 1 1 83 83 ILE CB C 83 37.939 37.939 38.419 -0.480 18521 3392 1 4 . 1 1 83 83 ILE H H 83 7.455 7.455 7.204 0.251 18521 3393 1 4 . 1 1 84 84 HIS N N 84 116.118 116.118 116.383 -0.265 18521 3394 1 4 . 1 1 84 84 HIS HA H 84 4.568 4.568 4.476 0.092 18521 3395 1 4 . 1 1 84 84 HIS C C 84 175.568 175.568 175.586 -0.018 18521 3396 1 4 . 1 1 84 84 HIS CA C 84 58.425 58.425 59.040 -0.615 18521 3397 1 4 . 1 1 84 84 HIS CB C 84 31.801 31.801 30.774 1.027 18521 3398 1 4 . 1 1 84 84 HIS H H 84 7.168 7.168 8.589 -1.421 18521 3399 1 4 . 1 1 85 85 ASP N N 85 122.411 122.411 119.882 2.529 18521 3400 1 4 . 1 1 85 85 ASP HA H 85 4.546 4.546 4.755 -0.209 18521 3401 1 4 . 1 1 85 85 ASP C C 85 175.527 175.527 176.871 -1.344 18521 3402 1 4 . 1 1 85 85 ASP CA C 85 53.215 53.215 53.405 -0.190 18521 3403 1 4 . 1 1 85 85 ASP CB C 85 40.936 40.936 40.827 0.110 18521 3404 1 4 . 1 1 85 85 ASP H H 85 8.576 8.576 8.273 0.303 18521 3405 1 4 . 1 1 86 86 GLN N N 86 122.561 122.561 126.766 -4.205 18521 3406 1 4 . 1 1 86 86 GLN HA H 86 4.077 4.077 4.279 -0.202 18521 3407 1 4 . 1 1 86 86 GLN C C 86 178.518 178.518 178.221 0.297 18521 3408 1 4 . 1 1 86 86 GLN CA C 86 57.816 57.816 58.703 -0.887 18521 3409 1 4 . 1 1 86 86 GLN CB C 86 29.165 29.165 28.874 0.291 18521 3410 1 4 . 1 1 86 86 GLN H H 86 8.715 8.715 8.518 0.197 18521 3411 1 4 . 1 1 87 87 GLU N N 87 121.616 121.616 120.243 1.373 18521 3412 1 4 . 1 1 87 87 GLU HA H 87 4.042 4.042 3.702 0.340 18521 3413 1 4 . 1 1 87 87 GLU C C 87 178.154 178.154 178.165 -0.011 18521 3414 1 4 . 1 1 87 87 GLU CA C 87 59.051 59.051 59.553 -0.502 18521 3415 1 4 . 1 1 87 87 GLU CB C 87 29.231 29.231 29.012 0.219 18521 3416 1 4 . 1 1 87 87 GLU H H 87 8.073 8.073 7.867 0.206 18521 3417 1 4 . 1 1 88 88 LYS N N 88 119.006 119.006 119.237 -0.231 18521 3418 1 4 . 1 1 88 88 LYS HA H 88 3.754 3.754 4.044 -0.290 18521 3419 1 4 . 1 1 88 88 LYS C C 88 177.129 177.129 178.603 -1.474 18521 3420 1 4 . 1 1 88 88 LYS CA C 88 59.721 59.721 59.117 0.604 18521 3421 1 4 . 1 1 88 88 LYS CB C 88 32.253 32.253 32.240 0.013 18521 3422 1 4 . 1 1 88 88 LYS H H 88 7.525 7.525 8.366 -0.841 18521 3423 1 4 . 1 1 89 89 ALA N N 89 121.945 121.945 121.537 0.408 18521 3424 1 4 . 1 1 89 89 ALA HA H 89 3.734 3.734 4.066 -0.332 18521 3425 1 4 . 1 1 89 89 ALA C C 89 177.545 177.545 178.919 -1.374 18521 3426 1 4 . 1 1 89 89 ALA CA C 89 55.977 55.977 55.153 0.825 18521 3427 1 4 . 1 1 89 89 ALA CB C 89 18.763 18.763 18.034 0.729 18521 3428 1 4 . 1 1 89 89 ALA H H 89 8.472 8.472 7.911 0.561 18521 3429 1 4 . 1 1 90 90 LYS N N 90 117.743 117.743 118.898 -1.155 18521 3430 1 4 . 1 1 90 90 LYS HA H 90 4.015 4.015 2.568 1.447 18521 3431 1 4 . 1 1 90 90 LYS C C 90 177.667 177.667 178.401 -0.734 18521 3432 1 4 . 1 1 90 90 LYS CA C 90 58.703 58.703 58.652 0.051 18521 3433 1 4 . 1 1 90 90 LYS CB C 90 32.779 32.779 31.351 1.428 18521 3434 1 4 . 1 1 90 90 LYS H H 90 6.684 6.684 7.338 -0.654 18521 3435 1 4 . 1 1 91 91 ILE N N 91 117.216 117.216 118.391 -1.175 18521 3436 1 4 . 1 1 91 91 ILE HA H 91 3.414 3.414 3.617 -0.203 18521 3437 1 4 . 1 1 91 91 ILE C C 91 178.422 178.422 177.920 0.502 18521 3438 1 4 . 1 1 91 91 ILE CA C 91 64.094 64.094 65.231 -1.137 18521 3439 1 4 . 1 1 91 91 ILE CB C 91 37.481 37.481 37.761 -0.281 18521 3440 1 4 . 1 1 91 91 ILE H H 91 7.196 7.196 7.232 -0.036 18521 3441 1 4 . 1 1 92 92 TYR N N 92 122.201 122.201 120.901 1.300 18521 3442 1 4 . 1 1 92 92 TYR HA H 92 4.047 4.047 4.061 -0.014 18521 3443 1 4 . 1 1 92 92 TYR C C 92 177.726 177.726 177.399 0.327 18521 3444 1 4 . 1 1 92 92 TYR CA C 92 61.771 61.771 61.334 0.437 18521 3445 1 4 . 1 1 92 92 TYR CB C 92 39.295 39.295 38.316 0.978 18521 3446 1 4 . 1 1 92 92 TYR H H 92 8.466 8.466 7.490 0.976 18521 3447 1 4 . 1 1 93 93 MET N N 93 117.420 117.420 119.517 -2.097 18521 3448 1 4 . 1 1 93 93 MET HA H 93 3.896 3.896 3.833 0.063 18521 3449 1 4 . 1 1 93 93 MET C C 93 180.221 180.221 177.824 2.397 18521 3450 1 4 . 1 1 93 93 MET CA C 93 57.586 57.586 58.032 -0.446 18521 3451 1 4 . 1 1 93 93 MET CB C 93 30.854 30.854 32.196 -1.342 18521 3452 1 4 . 1 1 93 93 MET H H 93 8.269 8.269 8.491 -0.222 18521 3453 1 4 . 1 1 94 94 LEU N N 94 125.183 125.183 120.543 4.640 18521 3454 1 4 . 1 1 94 94 LEU HA H 94 3.826 3.826 3.876 -0.050 18521 3455 1 4 . 1 1 94 94 LEU C C 94 177.787 177.787 178.204 -0.417 18521 3456 1 4 . 1 1 94 94 LEU CA C 94 58.729 58.729 58.575 0.154 18521 3457 1 4 . 1 1 94 94 LEU CB C 94 42.188 42.188 41.469 0.719 18521 3458 1 4 . 1 1 94 94 LEU H H 94 8.733 8.733 8.330 0.403 18521 3459 1 4 . 1 1 95 95 ASN N N 95 121.517 121.517 118.616 2.901 18521 3460 1 4 . 1 1 95 95 ASN HA H 95 4.184 4.184 4.348 -0.164 18521 3461 1 4 . 1 1 95 95 ASN C C 95 178.481 178.481 177.869 0.612 18521 3462 1 4 . 1 1 95 95 ASN CA C 95 56.312 56.312 56.055 0.257 18521 3463 1 4 . 1 1 95 95 ASN H H 95 8.951 8.951 8.215 0.736 18521 3464 1 4 . 1 1 96 96 PHE N N 96 122.778 122.778 121.630 1.148 18521 3465 1 4 . 1 1 96 96 PHE HA H 96 4.341 4.341 4.183 0.158 18521 3466 1 4 . 1 1 96 96 PHE C C 96 177.925 177.925 176.836 1.089 18521 3467 1 4 . 1 1 96 96 PHE CA C 96 62.427 62.427 62.063 0.364 18521 3468 1 4 . 1 1 96 96 PHE H H 96 8.454 8.454 8.276 0.178 18521 3469 1 4 . 1 1 97 97 THR N N 97 117.115 117.115 117.058 0.057 18521 3470 1 4 . 1 1 97 97 THR HA H 97 3.369 3.369 3.703 -0.334 18521 3471 1 4 . 1 1 97 97 THR C C 97 176.185 176.185 176.805 -0.620 18521 3472 1 4 . 1 1 97 97 THR CA C 97 68.090 68.090 67.043 1.047 18521 3473 1 4 . 1 1 97 97 THR CB C 97 68.087 68.087 68.521 -0.434 18521 3474 1 4 . 1 1 97 97 THR H H 97 8.209 8.209 8.523 -0.314 18521 3475 1 4 . 1 1 98 98 MET N N 98 119.373 119.373 120.351 -0.978 18521 3476 1 4 . 1 1 98 98 MET HA H 98 4.360 4.360 4.358 0.002 18521 3477 1 4 . 1 1 98 98 MET C C 98 177.887 177.887 178.551 -0.664 18521 3478 1 4 . 1 1 98 98 MET CA C 98 58.143 58.143 57.658 0.485 18521 3479 1 4 . 1 1 98 98 MET CB C 98 31.948 31.948 31.536 0.412 18521 3480 1 4 . 1 1 98 98 MET H H 98 8.958 8.958 8.854 0.104 18521 3481 1 4 . 1 1 99 99 SER N N 99 114.517 114.517 116.408 -1.891 18521 3482 1 4 . 1 1 99 99 SER HA H 99 4.043 4.043 4.145 -0.102 18521 3483 1 4 . 1 1 99 99 SER C C 99 176.195 176.195 176.770 -0.575 18521 3484 1 4 . 1 1 99 99 SER CA C 99 62.481 62.481 61.700 0.781 18521 3485 1 4 . 1 1 99 99 SER CB C 99 62.692 62.692 62.617 0.075 18521 3486 1 4 . 1 1 99 99 SER H H 99 7.708 7.708 8.257 -0.549 18521 3487 1 4 . 1 1 100 100 LEU N N 100 125.126 125.126 123.186 1.940 18521 3488 1 4 . 1 1 100 100 LEU HA H 100 3.913 3.913 3.936 -0.023 18521 3489 1 4 . 1 1 100 100 LEU C C 100 177.327 177.327 177.871 -0.544 18521 3490 1 4 . 1 1 100 100 LEU CA C 100 58.005 58.005 57.645 0.360 18521 3491 1 4 . 1 1 100 100 LEU CB C 100 41.841 41.841 41.595 0.246 18521 3492 1 4 . 1 1 100 100 LEU H H 100 7.277 7.277 7.668 -0.391 18521 3493 1 4 . 1 1 101 101 TYR N N 101 120.940 120.940 120.089 0.851 18521 3494 1 4 . 1 1 101 101 TYR HA H 101 4.143 4.143 4.124 0.019 18521 3495 1 4 . 1 1 101 101 TYR C C 101 176.784 176.784 177.480 -0.696 18521 3496 1 4 . 1 1 101 101 TYR CA C 101 61.543 61.543 61.902 -0.359 18521 3497 1 4 . 1 1 101 101 TYR CB C 101 40.909 40.909 38.528 2.381 18521 3498 1 4 . 1 1 101 101 TYR H H 101 8.858 8.858 8.773 0.085 18521 3499 1 4 . 1 1 102 102 ASN N N 102 119.067 119.067 117.178 1.889 18521 3500 1 4 . 1 1 102 102 ASN HA H 102 4.116 4.116 4.222 -0.106 18521 3501 1 4 . 1 1 102 102 ASN C C 102 178.713 178.713 177.387 1.326 18521 3502 1 4 . 1 1 102 102 ASN CA C 102 55.734 55.734 55.894 -0.160 18521 3503 1 4 . 1 1 102 102 ASN H H 102 8.700 8.700 8.910 -0.210 18521 3504 1 4 . 1 1 103 103 GLU N N 103 119.558 119.558 120.521 -0.963 18521 3505 1 4 . 1 1 103 103 GLU HA H 103 3.944 3.944 3.988 -0.044 18521 3506 1 4 . 1 1 103 103 GLU C C 103 179.012 179.012 179.002 0.010 18521 3507 1 4 . 1 1 103 103 GLU CA C 103 59.506 59.506 59.435 0.071 18521 3508 1 4 . 1 1 103 103 GLU CB C 103 29.349 29.349 29.395 -0.046 18521 3509 1 4 . 1 1 103 103 GLU H H 103 7.599 7.599 8.223 -0.624 18521 3510 1 4 . 1 1 104 104 LYS N N 104 120.218 120.218 118.736 1.482 18521 3511 1 4 . 1 1 104 104 LYS HA H 104 4.051 4.051 3.993 0.058 18521 3512 1 4 . 1 1 104 104 LYS C C 104 178.477 178.477 178.880 -0.403 18521 3513 1 4 . 1 1 104 104 LYS CA C 104 56.534 56.534 58.639 -2.104 18521 3514 1 4 . 1 1 104 104 LYS CB C 104 29.108 29.108 32.205 -3.096 18521 3515 1 4 . 1 1 104 104 LYS H H 104 8.311 8.311 7.933 0.378 18521 3516 1 4 . 1 1 105 105 LEU N N 105 122.110 122.110 120.109 2.001 18521 3517 1 4 . 1 1 105 105 LEU HA H 105 3.774 3.774 3.862 -0.088 18521 3518 1 4 . 1 1 105 105 LEU C C 105 180.224 180.224 178.467 1.757 18521 3519 1 4 . 1 1 105 105 LEU CA C 105 58.148 58.148 57.814 0.334 18521 3520 1 4 . 1 1 105 105 LEU CB C 105 42.394 42.394 41.408 0.986 18521 3521 1 4 . 1 1 105 105 LEU H H 105 8.604 8.604 8.144 0.460 18521 3522 1 4 . 1 1 106 106 LYS N N 106 119.031 119.031 119.240 -0.209 18521 3523 1 4 . 1 1 106 106 LYS HA H 106 4.035 4.035 3.778 0.257 18521 3524 1 4 . 1 1 106 106 LYS C C 106 178.496 178.496 179.340 -0.844 18521 3525 1 4 . 1 1 106 106 LYS CA C 106 59.820 59.820 59.506 0.314 18521 3526 1 4 . 1 1 106 106 LYS CB C 106 31.956 31.956 32.178 -0.222 18521 3527 1 4 . 1 1 106 106 LYS H H 106 7.339 7.339 8.093 -0.754 18521 3528 1 4 . 1 1 107 107 GLN N N 107 121.417 121.417 118.249 3.168 18521 3529 1 4 . 1 1 107 107 GLN HA H 107 3.744 3.744 3.779 -0.035 18521 3530 1 4 . 1 1 107 107 GLN C C 107 178.103 178.103 178.222 -0.119 18521 3531 1 4 . 1 1 107 107 GLN CA C 107 58.582 58.582 58.488 0.094 18521 3532 1 4 . 1 1 107 107 GLN CB C 107 26.969 26.969 28.337 -1.368 18521 3533 1 4 . 1 1 107 107 GLN H H 107 7.590 7.590 7.614 -0.024 18521 3534 1 4 . 1 1 108 108 LEU N N 108 120.629 120.629 118.423 2.206 18521 3535 1 4 . 1 1 108 108 LEU HA H 108 3.806 3.806 4.436 -0.630 18521 3536 1 4 . 1 1 108 108 LEU C C 108 178.978 178.978 178.300 0.678 18521 3537 1 4 . 1 1 108 108 LEU CA C 108 58.306 58.306 57.455 0.851 18521 3538 1 4 . 1 1 108 108 LEU CB C 108 42.112 42.112 41.714 0.398 18521 3539 1 4 . 1 1 108 108 LEU H H 108 8.450 8.450 7.312 1.138 18521 3540 1 4 . 1 1 109 109 LYS N N 109 119.584 119.584 117.513 2.071 18521 3541 1 4 . 1 1 109 109 LYS HA H 109 4.166 4.166 4.084 0.082 18521 3542 1 4 . 1 1 109 109 LYS C C 109 177.859 177.859 177.113 0.746 18521 3543 1 4 . 1 1 109 109 LYS CA C 109 58.746 58.746 58.736 0.009 18521 3544 1 4 . 1 1 109 109 LYS CB C 109 32.637 32.637 32.718 -0.081 18521 3545 1 4 . 1 1 109 109 LYS H H 109 7.295 7.295 7.800 -0.505 18521 3546 1 4 . 1 1 110 110 ASP N N 110 116.950 116.950 113.321 3.629 18521 3547 1 4 . 1 1 110 110 ASP HA H 110 4.604 4.604 4.957 -0.353 18521 3548 1 4 . 1 1 110 110 ASP C C 110 177.157 177.157 175.020 2.137 18521 3549 1 4 . 1 1 110 110 ASP CA C 110 55.768 55.768 54.295 1.472 18521 3550 1 4 . 1 1 110 110 ASP CB C 110 42.724 42.724 43.533 -0.809 18521 3551 1 4 . 1 1 110 110 ASP H H 110 7.807 7.807 7.704 0.103 18521 3552 1 4 . 1 1 111 111 GLY N N 111 114.046 114.046 110.093 3.953 18521 3553 1 4 . 1 1 111 111 GLY CA C 111 41.845 41.845 44.232 -2.387 18521 3554 1 4 . 1 1 111 111 GLY H H 111 8.554 8.554 7.426 1.128 18521 3555 1 4 . 1 1 112 112 PRO HA H 112 4.552 4.552 4.117 0.435 18521 3556 1 4 . 1 1 112 112 PRO C C 112 174.967 174.967 175.822 -0.855 18521 3557 1 4 . 1 1 112 112 PRO CA C 112 61.222 61.222 62.727 -1.505 18521 3558 1 4 . 1 1 112 112 PRO CB C 112 35.056 35.056 32.299 2.757 18521 3559 1 4 . 1 1 113 113 TRP N N 113 123.139 123.139 123.416 -0.277 18521 3560 1 4 . 1 1 113 113 TRP HA H 113 4.650 4.650 4.867 -0.217 18521 3561 1 4 . 1 1 113 113 TRP C C 113 174.604 174.604 175.135 -0.531 18521 3562 1 4 . 1 1 113 113 TRP CA C 113 58.154 58.154 56.665 1.489 18521 3563 1 4 . 1 1 113 113 TRP CB C 113 27.048 27.048 31.316 -4.268 18521 3564 1 4 . 1 1 113 113 TRP H H 113 8.671 8.671 8.598 0.073 18521 3565 1 4 . 1 1 114 114 ASP N N 114 121.440 121.440 118.147 3.293 18521 3566 1 4 . 1 1 114 114 ASP HA H 114 4.930 4.930 4.778 0.152 18521 3567 1 4 . 1 1 114 114 ASP C C 114 176.979 176.979 176.132 0.847 18521 3568 1 4 . 1 1 114 114 ASP CA C 114 52.223 52.223 52.662 -0.439 18521 3569 1 4 . 1 1 114 114 ASP CB C 114 43.192 43.192 42.383 0.809 18521 3570 1 4 . 1 1 114 114 ASP H H 114 6.950 6.950 8.079 -1.129 18521 3571 1 4 . 1 1 115 115 VAL N N 115 118.386 118.386 120.262 -1.876 18521 3572 1 4 . 1 1 115 115 VAL HA H 115 3.825 3.825 3.787 0.038 18521 3573 1 4 . 1 1 115 115 VAL C C 115 177.760 177.760 178.042 -0.282 18521 3574 1 4 . 1 1 115 115 VAL CA C 115 65.611 65.611 65.480 0.131 18521 3575 1 4 . 1 1 115 115 VAL CB C 115 31.657 31.657 32.079 -0.422 18521 3576 1 4 . 1 1 115 115 VAL H H 115 8.181 8.181 8.369 -0.188 18521 3577 1 4 . 1 1 116 116 MET N N 116 120.354 120.354 118.628 1.726 18521 3578 1 4 . 1 1 116 116 MET HA H 116 4.284 4.284 4.150 0.134 18521 3579 1 4 . 1 1 116 116 MET C C 116 179.336 179.336 178.184 1.152 18521 3580 1 4 . 1 1 116 116 MET CA C 116 57.392 57.392 58.785 -1.393 18521 3581 1 4 . 1 1 116 116 MET CB C 116 30.450 30.450 32.238 -1.788 18521 3582 1 4 . 1 1 116 116 MET H H 116 7.661 7.661 7.937 -0.276 18521 3583 1 4 . 1 1 117 117 LEU N N 117 125.774 125.774 119.974 5.800 18521 3584 1 4 . 1 1 117 117 LEU HA H 117 4.129 4.129 4.077 0.052 18521 3585 1 4 . 1 1 117 117 LEU C C 117 178.399 178.399 177.917 0.482 18521 3586 1 4 . 1 1 117 117 LEU CA C 117 58.353 58.353 58.613 -0.260 18521 3587 1 4 . 1 1 117 117 LEU CB C 117 40.392 40.392 41.431 -1.039 18521 3588 1 4 . 1 1 117 117 LEU H H 117 8.179 8.179 9.022 -0.843 18521 3589 1 4 . 1 1 118 118 LYS N N 118 118.471 118.471 118.766 -0.295 18521 3590 1 4 . 1 1 118 118 LYS HA H 118 3.824 3.824 3.950 -0.126 18521 3591 1 4 . 1 1 118 118 LYS C C 118 178.259 178.259 179.111 -0.852 18521 3592 1 4 . 1 1 118 118 LYS CA C 118 60.497 60.497 60.013 0.484 18521 3593 1 4 . 1 1 118 118 LYS CB C 118 32.355 32.355 32.292 0.063 18521 3594 1 4 . 1 1 118 118 LYS H H 118 7.359 7.359 7.479 -0.120 18521 3595 1 4 . 1 1 119 119 ARG N N 119 117.838 117.838 118.536 -0.698 18521 3596 1 4 . 1 1 119 119 ARG HA H 119 4.158 4.158 4.298 -0.140 18521 3597 1 4 . 1 1 119 119 ARG C C 119 180.132 180.132 179.129 1.003 18521 3598 1 4 . 1 1 119 119 ARG CA C 119 59.535 59.535 59.342 0.194 18521 3599 1 4 . 1 1 119 119 ARG CB C 119 29.994 29.994 30.317 -0.323 18521 3600 1 4 . 1 1 119 119 ARG H H 119 8.316 8.316 7.979 0.337 18521 3601 1 4 . 1 1 120 120 SER N N 120 117.258 117.258 117.031 0.227 18521 3602 1 4 . 1 1 120 120 SER HA H 120 4.374 4.374 4.235 0.139 18521 3603 1 4 . 1 1 120 120 SER C C 120 176.034 176.034 176.799 -0.765 18521 3604 1 4 . 1 1 120 120 SER CA C 120 62.728 62.728 62.252 0.476 18521 3605 1 4 . 1 1 120 120 SER CB C 120 63.050 63.050 63.050 -0.000 18521 3606 1 4 . 1 1 120 120 SER H H 120 8.598 8.598 8.143 0.455 18521 3607 1 4 . 1 1 121 121 LEU N N 121 125.307 125.307 121.584 3.723 18521 3608 1 4 . 1 1 121 121 LEU HA H 121 4.192 4.192 4.138 0.054 18521 3609 1 4 . 1 1 121 121 LEU C C 121 179.621 179.621 178.856 0.765 18521 3610 1 4 . 1 1 121 121 LEU CA C 121 58.894 58.894 57.959 0.935 18521 3611 1 4 . 1 1 121 121 LEU CB C 121 41.188 41.188 41.536 -0.348 18521 3612 1 4 . 1 1 121 121 LEU H H 121 8.250 8.250 8.082 0.168 18521 3613 1 4 . 1 1 122 122 TRP N N 122 120.444 120.444 119.397 1.047 18521 3614 1 4 . 1 1 122 122 TRP HA H 122 4.368 4.368 4.367 0.001 18521 3615 1 4 . 1 1 122 122 TRP C C 122 176.943 176.943 178.651 -1.708 18521 3616 1 4 . 1 1 122 122 TRP CA C 122 61.452 61.452 61.478 -0.026 18521 3617 1 4 . 1 1 122 122 TRP CB C 122 29.823 29.823 29.150 0.673 18521 3618 1 4 . 1 1 122 122 TRP H H 122 7.873 7.873 7.647 0.226 18521 3619 1 4 . 1 1 123 123 CYS N N 123 120.188 120.188 119.508 0.680 18521 3620 1 4 . 1 1 123 123 CYS HA H 123 4.264 4.264 4.281 -0.017 18521 3621 1 4 . 1 1 123 123 CYS C C 123 176.875 176.875 176.898 -0.023 18521 3622 1 4 . 1 1 123 123 CYS CA C 123 60.573 60.573 61.906 -1.333 18521 3623 1 4 . 1 1 123 123 CYS CB C 123 25.642 25.642 26.429 -0.787 18521 3624 1 4 . 1 1 123 123 CYS H H 123 8.271 8.271 8.011 0.260 18521 3625 1 4 . 1 1 124 124 CYS N N 124 116.760 116.760 119.611 -2.851 18521 3626 1 4 . 1 1 124 124 CYS HA H 124 3.880 3.880 4.056 -0.176 18521 3627 1 4 . 1 1 124 124 CYS C C 124 175.810 175.810 176.777 -0.967 18521 3628 1 4 . 1 1 124 124 CYS CA C 124 65.646 65.646 64.915 0.731 18521 3629 1 4 . 1 1 124 124 CYS CB C 124 28.069 28.069 27.745 0.324 18521 3630 1 4 . 1 1 124 124 CYS H H 124 8.208 8.208 7.991 0.217 18521 3631 1 4 . 1 1 125 125 ILE N N 125 121.167 121.167 121.212 -0.045 18521 3632 1 4 . 1 1 125 125 ILE HA H 125 3.580 3.580 3.758 -0.178 18521 3633 1 4 . 1 1 125 125 ILE C C 125 179.302 179.302 177.636 1.666 18521 3634 1 4 . 1 1 125 125 ILE CA C 125 67.663 67.663 66.011 1.652 18521 3635 1 4 . 1 1 125 125 ILE CB C 125 37.988 37.988 37.470 0.518 18521 3636 1 4 . 1 1 125 125 ILE H H 125 8.073 8.073 8.370 -0.297 18521 3637 1 4 . 1 1 126 126 ASP N N 126 124.812 124.812 120.238 4.574 18521 3638 1 4 . 1 1 126 126 ASP HA H 126 4.622 4.622 4.454 0.168 18521 3639 1 4 . 1 1 126 126 ASP C C 126 178.091 178.091 178.996 -0.905 18521 3640 1 4 . 1 1 126 126 ASP CA C 126 58.885 58.885 57.478 1.407 18521 3641 1 4 . 1 1 126 126 ASP CB C 126 40.408 40.408 40.305 0.103 18521 3642 1 4 . 1 1 126 126 ASP H H 126 8.778 8.778 7.773 1.005 18521 3643 1 4 . 1 1 127 127 LEU N N 127 122.531 122.531 119.991 2.540 18521 3644 1 4 . 1 1 127 127 LEU HA H 127 3.841 3.841 3.766 0.075 18521 3645 1 4 . 1 1 127 127 LEU C C 127 179.582 179.582 178.918 0.664 18521 3646 1 4 . 1 1 127 127 LEU CA C 127 58.632 58.632 57.775 0.857 18521 3647 1 4 . 1 1 127 127 LEU CB C 127 42.680 42.680 41.591 1.089 18521 3648 1 4 . 1 1 127 127 LEU H H 127 8.888 8.888 7.355 1.533 18521 3649 1 4 . 1 1 128 128 ILE N N 128 121.311 121.311 119.416 1.895 18521 3650 1 4 . 1 1 128 128 ILE HA H 128 3.938 3.938 3.688 0.250 18521 3651 1 4 . 1 1 128 128 ILE C C 128 176.725 176.725 178.250 -1.525 18521 3652 1 4 . 1 1 128 128 ILE CA C 128 60.922 60.922 65.128 -4.206 18521 3653 1 4 . 1 1 128 128 ILE CB C 128 38.971 38.971 37.257 1.714 18521 3654 1 4 . 1 1 128 128 ILE H H 128 7.469 7.469 7.858 -0.389 18521 3655 1 4 . 1 1 129 129 ASN N N 129 122.727 122.727 117.871 4.856 18521 3656 1 4 . 1 1 129 129 ASN HA H 129 4.582 4.582 4.462 0.120 18521 3657 1 4 . 1 1 129 129 ASN C C 129 177.132 177.132 177.514 -0.382 18521 3658 1 4 . 1 1 129 129 ASN CA C 129 52.982 52.982 56.571 -3.589 18521 3659 1 4 . 1 1 129 129 ASN CB C 129 38.792 38.792 37.772 1.020 18521 3660 1 4 . 1 1 129 129 ASN H H 129 8.173 8.173 8.254 -0.081 18521 3661 1 4 . 1 1 130 130 ILE N N 130 120.527 120.527 121.916 -1.389 18521 3662 1 4 . 1 1 130 130 ILE HA H 130 4.305 4.305 2.948 1.357 18521 3663 1 4 . 1 1 130 130 ILE C C 130 175.796 175.796 177.436 -1.640 18521 3664 1 4 . 1 1 130 130 ILE CA C 130 61.246 61.246 64.066 -2.820 18521 3665 1 4 . 1 1 130 130 ILE CB C 130 38.797 38.797 36.693 2.104 18521 3666 1 4 . 1 1 130 130 ILE H H 130 8.096 8.096 7.330 0.766 18521 3667 1 4 . 1 1 131 131 ASP N N 131 122.165 122.165 122.046 0.119 18521 3668 1 4 . 1 1 131 131 ASP HA H 131 4.416 4.416 4.089 0.327 18521 3669 1 4 . 1 1 131 131 ASP C C 131 176.750 176.750 178.500 -1.750 18521 3670 1 4 . 1 1 131 131 ASP CA C 131 55.955 55.955 57.912 -1.957 18521 3671 1 4 . 1 1 131 131 ASP CB C 131 41.117 41.117 40.720 0.397 18521 3672 1 4 . 1 1 131 131 ASP H H 131 8.157 8.157 7.735 0.422 18521 3673 1 4 . 1 1 132 132 LYS N N 132 119.537 119.537 118.076 1.461 18521 3674 1 4 . 1 1 132 132 LYS HA H 132 4.373 4.373 3.959 0.414 18521 3675 1 4 . 1 1 132 132 LYS C C 132 176.405 176.405 178.372 -1.967 18521 3676 1 4 . 1 1 132 132 LYS CA C 132 55.699 55.699 59.242 -3.543 18521 3677 1 4 . 1 1 132 132 LYS CB C 132 32.822 32.822 32.145 0.677 18521 3678 1 4 . 1 1 132 132 LYS H H 132 8.023 8.023 7.670 0.353 18521 3679 1 4 . 1 1 133 133 LEU N N 133 120.242 120.242 120.248 -0.006 18521 3680 1 4 . 1 1 133 133 LEU HA H 133 4.158 4.158 4.306 -0.148 18521 3681 1 4 . 1 1 133 133 LEU C C 133 178.449 178.449 179.809 -1.360 18521 3682 1 4 . 1 1 133 133 LEU CA C 133 57.538 57.538 58.201 -0.663 18521 3683 1 4 . 1 1 133 133 LEU CB C 133 41.572 41.572 42.885 -1.313 18521 3684 1 4 . 1 1 133 133 LEU H H 133 8.024 8.024 7.758 0.266 18521 3685 1 4 . 1 1 134 134 GLN N N 134 117.985 117.985 117.819 0.166 18521 3686 1 4 . 1 1 134 134 GLN HA H 134 4.018 4.018 3.847 0.171 18521 3687 1 4 . 1 1 134 134 GLN C C 134 179.500 179.500 176.968 2.532 18521 3688 1 4 . 1 1 134 134 GLN CA C 134 58.175 58.175 57.938 0.237 18521 3689 1 4 . 1 1 134 134 GLN CB C 134 29.102 29.102 28.254 0.848 18521 3690 1 4 . 1 1 134 134 GLN H H 134 8.536 8.536 8.317 0.219 18521 3691 1 4 . 1 1 135 135 TRP N N 135 115.550 115.550 115.934 -0.384 18521 3692 1 4 . 1 1 135 135 TRP HA H 135 4.991 4.991 4.928 0.063 18521 3693 1 4 . 1 1 135 135 TRP C C 135 175.170 175.170 175.308 -0.138 18521 3694 1 4 . 1 1 135 135 TRP CA C 135 59.426 59.426 56.040 3.386 18521 3695 1 4 . 1 1 135 135 TRP CB C 135 26.894 26.894 28.292 -1.398 18521 3696 1 4 . 1 1 135 135 TRP H H 135 7.727 7.727 7.402 0.325 18521 3697 1 4 . 1 1 136 136 LYS N N 136 119.841 119.841 120.407 -0.566 18521 3698 1 4 . 1 1 136 136 LYS HA H 136 3.830 3.830 4.072 -0.242 18521 3699 1 4 . 1 1 136 136 LYS C C 136 178.330 178.330 178.795 -0.465 18521 3700 1 4 . 1 1 136 136 LYS CA C 136 60.194 60.194 60.154 0.040 18521 3701 1 4 . 1 1 136 136 LYS CB C 136 32.902 32.902 32.488 0.414 18521 3702 1 4 . 1 1 136 136 LYS H H 136 6.580 6.580 7.808 -1.228 18521 3703 1 4 . 1 1 137 137 GLU N N 137 115.250 115.250 116.022 -0.772 18521 3704 1 4 . 1 1 137 137 GLU HA H 137 4.177 4.177 4.155 0.022 18521 3705 1 4 . 1 1 137 137 GLU C C 137 176.698 176.698 177.088 -0.390 18521 3706 1 4 . 1 1 137 137 GLU CA C 137 57.766 57.766 58.356 -0.590 18521 3707 1 4 . 1 1 137 137 GLU CB C 137 29.221 29.221 29.349 -0.128 18521 3708 1 4 . 1 1 137 137 GLU H H 137 8.549 8.549 8.776 -0.227 18521 3709 1 4 . 1 1 138 138 ASN N N 138 116.578 116.578 115.652 0.926 18521 3710 1 4 . 1 1 138 138 ASN HA H 138 4.943 4.943 4.746 0.197 18521 3711 1 4 . 1 1 138 138 ASN C C 138 173.448 173.448 174.421 -0.973 18521 3712 1 4 . 1 1 138 138 ASN CA C 138 52.681 52.681 53.479 -0.798 18521 3713 1 4 . 1 1 138 138 ASN CB C 138 40.833 40.833 39.552 1.281 18521 3714 1 4 . 1 1 138 138 ASN H H 138 8.337 8.337 7.663 0.674 18521 3715 1 4 . 1 1 139 139 ILE N N 139 120.835 120.835 120.355 0.480 18521 3716 1 4 . 1 1 139 139 ILE HA H 139 4.339 4.339 4.281 0.058 18521 3717 1 4 . 1 1 139 139 ILE C C 139 175.219 175.219 174.995 0.224 18521 3718 1 4 . 1 1 139 139 ILE CA C 139 60.867 60.867 60.802 0.065 18521 3719 1 4 . 1 1 139 139 ILE CB C 139 40.270 40.270 40.099 0.171 18521 3720 1 4 . 1 1 139 139 ILE H H 139 7.138 7.138 7.285 -0.147 18521 3721 1 4 . 1 1 140 140 MET N N 140 123.319 123.319 121.887 1.432 18521 3722 1 4 . 1 1 140 140 MET HA H 140 4.324 4.324 4.506 -0.182 18521 3723 1 4 . 1 1 140 140 MET C C 140 177.931 177.931 177.108 0.823 18521 3724 1 4 . 1 1 140 140 MET CA C 140 58.511 58.511 54.695 3.816 18521 3725 1 4 . 1 1 140 140 MET CB C 140 65.156 65.156 64.213 0.943 18521 3726 1 4 . 1 1 140 140 MET H H 140 8.714 8.714 8.567 0.147 18521 3727 1 4 . 1 1 141 141 LEU N N 141 120.610 120.610 123.876 -3.266 18521 3728 1 4 . 1 1 141 141 LEU HA H 141 4.047 4.047 4.027 0.020 18521 3729 1 4 . 1 1 141 141 LEU C C 141 177.281 177.281 178.820 -1.539 18521 3730 1 4 . 1 1 141 141 LEU CA C 141 58.362 58.362 58.620 -0.258 18521 3731 1 4 . 1 1 141 141 LEU H H 141 8.333 8.333 8.892 -0.559 18521 3732 1 4 . 1 1 142 142 ASP N N 142 121.268 121.268 120.760 0.508 18521 3733 1 4 . 1 1 142 142 ASP HA H 142 4.415 4.415 4.602 -0.187 18521 3734 1 4 . 1 1 142 142 ASP C C 142 175.916 175.916 178.359 -2.443 18521 3735 1 4 . 1 1 142 142 ASP CA C 142 54.678 54.678 58.210 -3.532 18521 3736 1 4 . 1 1 142 142 ASP CB C 142 68.329 68.329 68.585 -0.257 18521 3737 1 4 . 1 1 142 142 ASP H H 142 8.199 8.199 8.183 0.016 18521 3738 1 4 . 1 1 143 143 LEU N N 143 120.218 120.218 121.248 -1.030 18521 3739 1 4 . 1 1 143 143 LEU HA H 143 4.108 4.108 4.039 0.069 18521 3740 1 4 . 1 1 143 143 LEU C C 143 176.205 176.205 178.736 -2.531 18521 3741 1 4 . 1 1 143 143 LEU CA C 143 57.314 57.314 57.973 -0.659 18521 3742 1 4 . 1 1 143 143 LEU CB C 143 39.700 39.700 41.746 -2.046 18521 3743 1 4 . 1 1 143 143 LEU H H 143 7.858 7.858 8.074 -0.216 18521 3744 1 4 . 1 1 144 144 ILE N N 144 121.582 121.582 124.670 -3.088 18521 3745 1 4 . 1 1 144 144 ILE HA H 144 4.083 4.083 3.730 0.353 18521 3746 1 4 . 1 1 144 144 ILE C C 144 177.130 177.130 177.969 -0.839 18521 3747 1 4 . 1 1 144 144 ILE CA C 144 60.697 60.697 66.730 -6.033 18521 3748 1 4 . 1 1 144 144 ILE CB C 144 38.565 38.565 37.655 0.910 18521 3749 1 4 . 1 1 144 144 ILE H H 144 7.948 7.948 8.134 -0.186 18521 3750 1 4 . 1 1 145 145 GLU N N 145 120.974 120.974 121.450 -0.476 18521 3751 1 4 . 1 1 145 145 GLU HA H 145 4.049 4.049 4.229 -0.180 18521 3752 1 4 . 1 1 145 145 GLU C C 145 179.664 179.664 178.779 0.885 18521 3753 1 4 . 1 1 145 145 GLU CA C 145 59.673 59.673 59.728 -0.055 18521 3754 1 4 . 1 1 145 145 GLU CB C 145 29.521 29.521 29.530 -0.009 18521 3755 1 4 . 1 1 145 145 GLU H H 145 7.869 7.869 7.915 -0.046 18521 3756 1 4 . 1 1 146 146 GLN N N 146 118.520 118.520 120.467 -1.947 18521 3757 1 4 . 1 1 146 146 GLN HA H 146 4.034 4.034 4.015 0.019 18521 3758 1 4 . 1 1 146 146 GLN C C 146 178.820 178.820 177.641 1.179 18521 3759 1 4 . 1 1 146 146 GLN CA C 146 58.720 58.720 59.435 -0.715 18521 3760 1 4 . 1 1 146 146 GLN CB C 146 29.312 29.312 28.146 1.166 18521 3761 1 4 . 1 1 146 146 GLN H H 146 8.407 8.407 7.397 1.010 18521 3762 1 4 . 1 1 147 147 GLY N N 147 108.998 108.998 109.638 -0.640 18521 3763 1 4 . 1 1 147 147 GLY HA H 147 3.471 3.471 3.742 -0.271 18521 3764 1 4 . 1 1 147 147 GLY C C 147 175.794 175.794 176.657 -0.863 18521 3765 1 4 . 1 1 147 147 GLY CA C 147 47.525 47.525 48.136 -0.611 18521 3766 1 4 . 1 1 147 147 GLY CB C 147 41.801 41.801 41.404 0.397 18521 3767 1 4 . 1 1 147 147 GLY H H 147 8.059 8.059 7.534 0.525 18521 3768 1 4 . 1 1 148 148 ASP N N 148 124.022 124.022 118.749 5.273 18521 3769 1 4 . 1 1 148 148 ASP HA H 148 4.342 4.342 4.134 0.208 18521 3770 1 4 . 1 1 148 148 ASP C C 148 175.607 175.607 178.525 -2.918 18521 3771 1 4 . 1 1 148 148 ASP CA C 148 57.252 57.252 57.435 -0.183 18521 3772 1 4 . 1 1 148 148 ASP CB C 148 39.918 39.918 40.388 -0.470 18521 3773 1 4 . 1 1 148 148 ASP H H 148 8.522 8.522 8.533 -0.011 18521 3774 1 4 . 1 1 149 149 GLU N N 149 121.333 121.333 119.941 1.392 18521 3775 1 4 . 1 1 149 149 GLU HA H 149 4.008 4.008 3.953 0.055 18521 3776 1 4 . 1 1 149 149 GLU C C 149 175.652 175.652 178.751 -3.099 18521 3777 1 4 . 1 1 149 149 GLU CA C 149 59.394 59.394 59.621 -0.227 18521 3778 1 4 . 1 1 149 149 GLU CB C 149 32.048 32.048 32.253 -0.205 18521 3779 1 4 . 1 1 149 149 GLU H H 149 7.768 7.768 8.097 -0.329 18521 3780 1 4 . 1 1 150 150 LEU N N 150 120.820 120.820 119.174 1.646 18521 3781 1 4 . 1 1 150 150 LEU HA H 150 3.718 3.718 4.040 -0.322 18521 3782 1 4 . 1 1 150 150 LEU C C 150 179.476 179.476 179.494 -0.018 18521 3783 1 4 . 1 1 150 150 LEU CA C 150 57.656 57.656 57.845 -0.189 18521 3784 1 4 . 1 1 150 150 LEU CB C 150 28.936 28.936 29.503 -0.567 18521 3785 1 4 . 1 1 150 150 LEU H H 150 8.113 8.113 7.260 0.853 18521 3786 1 4 . 1 1 151 151 GLN N N 151 118.698 118.698 119.380 -0.682 18521 3787 1 4 . 1 1 151 151 GLN HA H 151 3.990 3.990 3.649 0.341 18521 3788 1 4 . 1 1 151 151 GLN C C 151 178.418 178.418 177.369 1.049 18521 3789 1 4 . 1 1 151 151 GLN CA C 151 58.570 58.570 59.865 -1.295 18521 3790 1 4 . 1 1 151 151 GLN CB C 151 38.409 38.409 37.476 0.933 18521 3791 1 4 . 1 1 151 151 GLN H H 151 8.282 8.282 7.571 0.711 18521 3792 1 4 . 1 1 152 152 GLU N N 152 120.750 120.750 120.019 0.731 18521 3793 1 4 . 1 1 152 152 GLU HA H 152 4.035 4.035 3.975 0.060 18521 3794 1 4 . 1 1 152 152 GLU C C 152 178.916 178.916 178.885 0.031 18521 3795 1 4 . 1 1 152 152 GLU CA C 152 59.223 59.223 59.361 -0.138 18521 3796 1 4 . 1 1 152 152 GLU CB C 152 29.322 29.322 29.211 0.111 18521 3797 1 4 . 1 1 152 152 GLU H H 152 7.499 7.499 8.227 -0.728 18521 3798 1 4 . 1 1 153 153 VAL N N 153 120.317 120.317 120.797 -0.480 18521 3799 1 4 . 1 1 153 153 VAL HA H 153 3.695 3.695 3.793 -0.098 18521 3800 1 4 . 1 1 153 153 VAL C C 153 178.846 178.846 178.409 0.437 18521 3801 1 4 . 1 1 153 153 VAL CA C 153 65.832 65.832 66.260 -0.428 18521 3802 1 4 . 1 1 153 153 VAL CB C 153 31.921 31.921 31.847 0.074 18521 3803 1 4 . 1 1 153 153 VAL H H 153 7.763 7.763 8.543 -0.780 18521 3804 1 4 . 1 1 154 154 LEU N N 154 121.374 121.374 119.719 1.655 18521 3805 1 4 . 1 1 154 154 LEU HA H 154 3.917 3.917 3.957 -0.040 18521 3806 1 4 . 1 1 154 154 LEU C C 154 178.836 178.836 178.725 0.111 18521 3807 1 4 . 1 1 154 154 LEU CA C 154 57.439 57.439 60.123 -2.684 18521 3808 1 4 . 1 1 154 154 LEU CB C 154 41.797 41.797 41.270 0.527 18521 3809 1 4 . 1 1 154 154 LEU H H 154 7.731 7.731 8.043 -0.312 18521 3810 1 4 . 1 1 155 155 ALA N N 155 121.695 121.695 123.950 -2.255 18521 3811 1 4 . 1 1 155 155 ALA HA H 155 4.145 4.145 3.835 0.310 18521 3812 1 4 . 1 1 155 155 ALA C C 155 179.502 179.502 179.980 -0.478 18521 3813 1 4 . 1 1 155 155 ALA CA C 155 54.175 54.175 55.467 -1.292 18521 3814 1 4 . 1 1 155 155 ALA CB C 155 18.499 18.499 18.706 -0.207 18521 3815 1 4 . 1 1 155 155 ALA H H 155 7.896 7.896 7.740 0.156 18521 3816 1 4 . 1 1 156 156 MET N N 156 117.652 117.652 118.780 -1.128 18521 3817 1 4 . 1 1 156 156 MET HA H 156 4.228 4.228 3.911 0.317 18521 3818 1 4 . 1 1 156 156 MET C C 156 177.366 177.366 178.169 -0.803 18521 3819 1 4 . 1 1 156 156 MET CA C 156 57.306 57.306 59.312 -2.006 18521 3820 1 4 . 1 1 156 156 MET CB C 156 32.373 32.373 32.562 -0.189 18521 3821 1 4 . 1 1 156 156 MET H H 156 7.778 7.778 8.301 -0.523 18521 3822 1 4 . 1 1 157 157 ASN N N 157 117.853 117.853 117.504 0.349 18521 3823 1 4 . 1 1 157 157 ASN HA H 157 4.588 4.588 4.204 0.384 18521 3824 1 4 . 1 1 157 157 ASN C C 157 175.211 175.211 177.557 -2.346 18521 3825 1 4 . 1 1 157 157 ASN CA C 157 54.068 54.068 57.360 -3.292 18521 3826 1 4 . 1 1 157 157 ASN CB C 157 39.125 39.125 38.389 0.736 18521 3827 1 4 . 1 1 157 157 ASN H H 157 8.009 8.009 8.217 -0.208 18521 3828 1 4 . 1 1 158 158 ASN N N 158 117.684 117.684 117.220 0.464 18521 3829 1 4 . 1 1 158 158 ASN HA H 158 4.612 4.612 4.317 0.295 18521 3830 1 4 . 1 1 158 158 ASN C C 158 174.669 174.669 177.262 -2.593 18521 3831 1 4 . 1 1 158 158 ASN CA C 158 53.554 53.554 56.022 -2.468 18521 3832 1 4 . 1 1 158 158 ASN CB C 158 39.343 39.343 37.991 1.352 18521 3833 1 4 . 1 1 158 158 ASN H H 158 7.951 7.951 8.752 -0.801 18521 3834 1 4 . 1 1 159 159 ASN N N 159 119.399 119.399 117.165 2.234 18521 3835 1 4 . 1 1 159 159 ASN HA H 159 4.583 4.583 4.409 0.174 18521 3836 1 4 . 1 1 159 159 ASN C C 159 175.563 175.563 177.525 -1.962 18521 3837 1 4 . 1 1 159 159 ASN CA C 159 53.901 53.901 56.440 -2.538 18521 3838 1 4 . 1 1 159 159 ASN CB C 159 38.425 38.425 38.143 0.282 18521 3839 1 4 . 1 1 159 159 ASN H H 159 8.319 8.319 7.586 0.733 18521 3840 1 4 . 1 1 160 160 SER N N 160 115.453 115.453 116.717 -1.264 18521 3841 1 4 . 1 1 160 160 SER HA H 160 4.324 4.324 4.063 0.261 18521 3842 1 4 . 1 1 160 160 SER C C 160 174.952 174.952 177.035 -2.083 18521 3843 1 4 . 1 1 160 160 SER CA C 160 58.851 58.851 61.238 -2.387 18521 3844 1 4 . 1 1 160 160 SER CB C 160 63.704 63.704 62.949 0.755 18521 3845 1 4 . 1 1 160 160 SER H H 160 8.297 8.297 7.388 0.909 18521 3846 1 4 . 1 1 161 161 GLY N N 161 110.851 110.851 105.926 4.925 18521 3847 1 4 . 1 1 161 161 GLY HA H 161 4.146 4.146 4.030 0.116 18521 3848 1 4 . 1 1 161 161 GLY C C 161 173.974 173.974 176.775 -2.801 18521 3849 1 4 . 1 1 161 161 GLY CA C 161 45.348 45.348 47.859 -2.511 18521 3850 1 4 . 1 1 161 161 GLY CB C 161 42.245 42.245 41.923 0.322 18521 3851 1 4 . 1 1 161 161 GLY H H 161 8.328 8.328 8.059 0.269 18521 3852 1 4 . 1 1 162 162 GLU N N 162 120.859 120.859 116.758 4.101 18521 3853 1 4 . 1 1 162 162 GLU HA H 162 4.211 4.211 4.211 0.000 18521 3854 1 4 . 1 1 162 162 GLU C C 162 177.522 177.522 177.713 -0.191 18521 3855 1 4 . 1 1 162 162 GLU CA C 162 56.065 56.065 58.781 -2.716 18521 3856 1 4 . 1 1 162 162 GLU CB C 162 29.852 29.852 29.021 0.831 18521 3857 1 4 . 1 1 162 162 GLU H H 162 8.244 8.244 7.726 0.518 18521 3858 1 4 . 1 1 163 163 LEU N N 163 124.226 124.226 118.182 6.044 18521 3859 1 4 . 1 1 163 163 LEU HA H 163 3.889 3.889 4.262 -0.373 18521 3860 1 4 . 1 1 163 163 LEU C C 163 178.043 178.043 177.084 0.959 18521 3861 1 4 . 1 1 163 163 LEU CA C 163 57.163 57.163 54.831 2.332 18521 3862 1 4 . 1 1 163 163 LEU CB C 163 41.840 41.840 42.193 -0.353 18521 3863 1 4 . 1 1 163 163 LEU H H 163 8.337 8.337 7.721 0.616 18521 3864 1 4 . 1 1 164 164 ASP N N 164 116.994 116.994 118.926 -1.932 18521 3865 1 4 . 1 1 164 164 ASP HA H 164 4.327 4.327 4.284 0.043 18521 3866 1 4 . 1 1 164 164 ASP C C 164 176.423 176.423 176.831 -0.408 18521 3867 1 4 . 1 1 164 164 ASP CA C 164 55.427 55.427 54.662 0.765 18521 3868 1 4 . 1 1 164 164 ASP H H 164 8.188 8.188 7.801 0.387 18521 3869 1 4 . 1 1 165 165 ASP N N 165 118.967 118.967 118.621 0.346 18521 3870 1 4 . 1 1 165 165 ASP HA H 165 4.443 4.443 4.512 -0.069 18521 3871 1 4 . 1 1 165 165 ASP C C 165 175.654 175.654 176.314 -0.660 18521 3872 1 4 . 1 1 165 165 ASP CA C 165 54.707 54.707 55.022 -0.315 18521 3873 1 4 . 1 1 165 165 ASP CB C 165 40.973 40.973 41.167 -0.194 18521 3874 1 4 . 1 1 165 165 ASP H H 165 7.701 7.701 7.837 -0.136 18521 3875 1 4 . 1 1 166 166 ILE N N 166 122.002 122.002 119.902 2.100 18521 3876 1 4 . 1 1 166 166 ILE HA H 166 4.049 4.049 4.001 0.048 18521 3877 1 4 . 1 1 166 166 ILE C C 166 175.180 175.180 175.225 -0.045 18521 3878 1 4 . 1 1 166 166 ILE CA C 166 60.396 60.396 59.867 0.529 18521 3879 1 4 . 1 1 166 166 ILE CB C 166 39.185 39.185 37.264 1.921 18521 3880 1 4 . 1 1 166 166 ILE H H 166 7.388 7.388 7.373 0.015 18521 3881 1 5 . 1 1 2 2 ALA N N 2 122.445 122.445 124.232 -1.787 18521 3882 1 5 . 1 1 2 2 ALA HA H 2 4.045 4.045 3.982 0.063 18521 3883 1 5 . 1 1 2 2 ALA C C 2 179.992 179.992 179.021 0.971 18521 3884 1 5 . 1 1 2 2 ALA CA C 2 55.140 55.140 54.841 0.299 18521 3885 1 5 . 1 1 2 2 ALA CB C 2 18.482 18.482 18.091 0.391 18521 3886 1 5 . 1 1 2 2 ALA H H 2 8.545 8.545 8.490 0.055 18521 3887 1 5 . 1 1 3 3 SER N N 3 115.544 115.544 114.204 1.340 18521 3888 1 5 . 1 1 3 3 SER HA H 3 4.030 4.030 4.164 -0.134 18521 3889 1 5 . 1 1 3 3 SER C C 3 176.584 176.584 176.821 -0.237 18521 3890 1 5 . 1 1 3 3 SER CA C 3 60.748 60.748 61.471 -0.723 18521 3891 1 5 . 1 1 3 3 SER CB C 3 62.416 62.416 62.363 0.053 18521 3892 1 5 . 1 1 3 3 SER H H 3 8.009 8.009 8.478 -0.469 18521 3893 1 5 . 1 1 4 4 ASN N N 4 123.103 123.103 119.365 3.738 18521 3894 1 5 . 1 1 4 4 ASN HA H 4 4.318 4.318 4.476 -0.158 18521 3895 1 5 . 1 1 4 4 ASN C C 4 176.215 176.215 177.202 -0.987 18521 3896 1 5 . 1 1 4 4 ASN CA C 4 55.580 55.580 55.872 -0.292 18521 3897 1 5 . 1 1 4 4 ASN CB C 4 38.154 38.154 37.766 0.388 18521 3898 1 5 . 1 1 4 4 ASN H H 4 7.965 7.965 7.676 0.289 18521 3899 1 5 . 1 1 5 5 ALA N N 5 122.314 122.314 122.892 -0.578 18521 3900 1 5 . 1 1 5 5 ALA HA H 5 3.560 3.560 3.956 -0.396 18521 3901 1 5 . 1 1 5 5 ALA C C 5 178.543 178.543 178.963 -0.420 18521 3902 1 5 . 1 1 5 5 ALA CA C 5 55.774 55.774 54.998 0.776 18521 3903 1 5 . 1 1 5 5 ALA CB C 5 17.638 17.638 18.200 -0.562 18521 3904 1 5 . 1 1 5 5 ALA H H 5 8.721 8.721 7.345 1.376 18521 3905 1 5 . 1 1 6 6 ALA N N 6 117.886 117.886 121.259 -3.373 18521 3906 1 5 . 1 1 6 6 ALA HA H 6 3.784 3.784 3.992 -0.208 18521 3907 1 5 . 1 1 6 6 ALA C C 6 180.378 180.378 179.352 1.026 18521 3908 1 5 . 1 1 6 6 ALA CA C 6 55.240 55.240 54.974 0.266 18521 3909 1 5 . 1 1 6 6 ALA CB C 6 17.890 17.890 18.056 -0.166 18521 3910 1 5 . 1 1 6 6 ALA H H 6 7.891 7.891 7.494 0.397 18521 3911 1 5 . 1 1 7 7 ARG N N 7 120.992 120.992 119.383 1.609 18521 3912 1 5 . 1 1 7 7 ARG HA H 7 3.770 3.770 4.024 -0.254 18521 3913 1 5 . 1 1 7 7 ARG C C 7 179.531 179.531 178.571 0.960 18521 3914 1 5 . 1 1 7 7 ARG CA C 7 59.249 59.249 59.405 -0.156 18521 3915 1 5 . 1 1 7 7 ARG CB C 7 29.546 29.546 30.373 -0.827 18521 3916 1 5 . 1 1 7 7 ARG H H 7 7.503 7.503 7.871 -0.368 18521 3917 1 5 . 1 1 8 8 VAL N N 8 123.707 123.707 120.028 3.679 18521 3918 1 5 . 1 1 8 8 VAL HA H 8 3.285 3.285 3.703 -0.418 18521 3919 1 5 . 1 1 8 8 VAL C C 8 177.740 177.740 177.962 -0.222 18521 3920 1 5 . 1 1 8 8 VAL CA C 8 67.839 67.839 67.255 0.583 18521 3921 1 5 . 1 1 8 8 VAL CB C 8 31.516 31.516 31.838 -0.322 18521 3922 1 5 . 1 1 8 8 VAL H H 8 8.176 8.176 8.063 0.113 18521 3923 1 5 . 1 1 9 9 VAL N N 9 119.893 119.893 120.168 -0.275 18521 3924 1 5 . 1 1 9 9 VAL HA H 9 3.286 3.286 3.565 -0.279 18521 3925 1 5 . 1 1 9 9 VAL C C 9 177.535 177.535 178.046 -0.511 18521 3926 1 5 . 1 1 9 9 VAL CA C 9 67.549 67.549 66.622 0.927 18521 3927 1 5 . 1 1 9 9 VAL CB C 9 31.683 31.683 30.848 0.835 18521 3928 1 5 . 1 1 9 9 VAL H H 9 8.329 8.329 7.566 0.763 18521 3929 1 5 . 1 1 10 10 ALA N N 10 122.541 122.541 121.764 0.777 18521 3930 1 5 . 1 1 10 10 ALA HA H 10 3.971 3.971 4.076 -0.105 18521 3931 1 5 . 1 1 10 10 ALA C C 10 177.093 177.093 179.675 -2.582 18521 3932 1 5 . 1 1 10 10 ALA CA C 10 55.448 55.448 55.391 0.057 18521 3933 1 5 . 1 1 10 10 ALA CB C 10 17.791 17.791 18.461 -0.670 18521 3934 1 5 . 1 1 10 10 ALA H H 10 7.802 7.802 8.104 -0.302 18521 3935 1 5 . 1 1 11 11 THR N N 11 116.946 116.946 116.199 0.747 18521 3936 1 5 . 1 1 11 11 THR HA H 11 3.821 3.821 3.934 -0.113 18521 3937 1 5 . 1 1 11 11 THR C C 11 175.702 175.702 176.591 -0.889 18521 3938 1 5 . 1 1 11 11 THR CA C 11 66.531 66.531 67.723 -1.192 18521 3939 1 5 . 1 1 11 11 THR CB C 11 68.493 68.493 68.850 -0.357 18521 3940 1 5 . 1 1 11 11 THR H H 11 8.187 8.187 8.468 -0.281 18521 3941 1 5 . 1 1 12 12 ALA N N 12 125.357 125.357 123.839 1.518 18521 3942 1 5 . 1 1 12 12 ALA HA H 12 4.003 4.003 4.037 -0.034 18521 3943 1 5 . 1 1 12 12 ALA C C 12 179.401 179.401 179.289 0.112 18521 3944 1 5 . 1 1 12 12 ALA CA C 12 56.083 56.083 55.287 0.796 18521 3945 1 5 . 1 1 12 12 ALA CB C 12 18.855 18.855 18.255 0.600 18521 3946 1 5 . 1 1 12 12 ALA H H 12 8.641 8.641 8.435 0.206 18521 3947 1 5 . 1 1 13 13 LYS N N 13 117.246 117.246 116.967 0.279 18521 3948 1 5 . 1 1 13 13 LYS HA H 13 3.964 3.964 4.093 -0.129 18521 3949 1 5 . 1 1 13 13 LYS C C 13 180.132 180.132 178.360 1.772 18521 3950 1 5 . 1 1 13 13 LYS CA C 13 58.991 58.991 59.192 -0.201 18521 3951 1 5 . 1 1 13 13 LYS CB C 13 32.014 32.014 32.060 -0.046 18521 3952 1 5 . 1 1 13 13 LYS H H 13 7.961 7.961 7.681 0.280 18521 3953 1 5 . 1 1 14 14 ASP N N 14 122.162 122.162 119.629 2.533 18521 3954 1 5 . 1 1 14 14 ASP HA H 14 4.355 4.355 4.409 -0.054 18521 3955 1 5 . 1 1 14 14 ASP C C 14 179.394 179.394 178.267 1.127 18521 3956 1 5 . 1 1 14 14 ASP CA C 14 57.524 57.524 56.882 0.642 18521 3957 1 5 . 1 1 14 14 ASP CB C 14 39.984 39.984 40.453 -0.469 18521 3958 1 5 . 1 1 14 14 ASP H H 14 7.702 7.702 7.879 -0.177 18521 3959 1 5 . 1 1 15 15 PHE N N 15 119.552 119.552 118.126 1.426 18521 3960 1 5 . 1 1 15 15 PHE HA H 15 4.307 4.307 4.188 0.119 18521 3961 1 5 . 1 1 15 15 PHE C C 15 178.383 178.383 177.846 0.537 18521 3962 1 5 . 1 1 15 15 PHE CA C 15 62.313 62.313 61.544 0.769 18521 3963 1 5 . 1 1 15 15 PHE CB C 15 37.340 37.340 38.780 -1.440 18521 3964 1 5 . 1 1 15 15 PHE H H 15 7.970 7.970 7.692 0.278 18521 3965 1 5 . 1 1 16 16 ASP N N 16 121.464 121.464 119.554 1.910 18521 3966 1 5 . 1 1 16 16 ASP HA H 16 4.016 4.016 4.443 -0.427 18521 3967 1 5 . 1 1 16 16 ASP C C 16 179.923 179.923 179.244 0.679 18521 3968 1 5 . 1 1 16 16 ASP CA C 16 58.030 58.030 57.340 0.690 18521 3969 1 5 . 1 1 16 16 ASP CB C 16 41.407 41.407 40.175 1.232 18521 3970 1 5 . 1 1 16 16 ASP H H 16 8.259 8.259 7.812 0.447 18521 3971 1 5 . 1 1 17 17 LYS N N 17 118.806 118.806 120.673 -1.867 18521 3972 1 5 . 1 1 17 17 LYS HA H 17 4.047 4.047 4.111 -0.064 18521 3973 1 5 . 1 1 17 17 LYS C C 17 178.432 178.432 177.803 0.629 18521 3974 1 5 . 1 1 17 17 LYS CA C 17 59.018 59.018 59.127 -0.109 18521 3975 1 5 . 1 1 17 17 LYS CB C 17 32.592 32.592 32.674 -0.082 18521 3976 1 5 . 1 1 17 17 LYS H H 17 7.842 7.842 7.711 0.131 18521 3977 1 5 . 1 1 18 18 VAL N N 18 110.416 110.416 117.044 -6.628 18521 3978 1 5 . 1 1 18 18 VAL HA H 18 4.523 4.523 4.078 0.445 18521 3979 1 5 . 1 1 18 18 VAL C C 18 176.089 176.089 175.602 0.487 18521 3980 1 5 . 1 1 18 18 VAL CA C 18 60.797 60.797 62.788 -1.991 18521 3981 1 5 . 1 1 18 18 VAL CB C 18 31.194 31.194 32.181 -0.987 18521 3982 1 5 . 1 1 18 18 VAL H H 18 7.198 7.198 7.320 -0.122 18521 3983 1 5 . 1 1 19 19 GLY N N 19 109.008 109.008 107.611 1.397 18521 3984 1 5 . 1 1 19 19 GLY C C 19 175.070 175.070 174.702 0.368 18521 3985 1 5 . 1 1 19 19 GLY CA C 19 45.842 45.842 45.399 0.443 18521 3986 1 5 . 1 1 19 19 GLY H H 19 7.731 7.731 7.661 0.070 18521 3987 1 5 . 1 1 20 20 LEU N N 20 125.244 125.244 123.050 2.194 18521 3988 1 5 . 1 1 20 20 LEU HA H 20 4.938 4.938 4.618 0.320 18521 3989 1 5 . 1 1 20 20 LEU C C 20 177.890 177.890 176.935 0.955 18521 3990 1 5 . 1 1 20 20 LEU CA C 20 52.674 52.674 53.172 -0.498 18521 3991 1 5 . 1 1 20 20 LEU CB C 20 40.239 40.239 40.044 0.195 18521 3992 1 5 . 1 1 20 20 LEU H H 20 8.102 8.102 8.379 -0.277 18521 3993 1 5 . 1 1 21 21 GLY N N 21 108.031 108.031 109.726 -1.695 18521 3994 1 5 . 1 1 21 21 GLY C C 21 176.174 176.174 175.885 0.289 18521 3995 1 5 . 1 1 21 21 GLY CA C 21 47.352 47.352 47.411 -0.059 18521 3996 1 5 . 1 1 21 21 GLY H H 21 8.046 8.046 7.977 0.069 18521 3997 1 5 . 1 1 22 22 ILE N N 22 121.173 121.173 121.974 -0.801 18521 3998 1 5 . 1 1 22 22 ILE HA H 22 3.944 3.944 3.737 0.207 18521 3999 1 5 . 1 1 22 22 ILE C C 22 176.119 176.119 177.631 -1.512 18521 4000 1 5 . 1 1 22 22 ILE CA C 22 61.179 61.179 64.699 -3.520 18521 4001 1 5 . 1 1 22 22 ILE CB C 22 35.934 35.934 37.919 -1.985 18521 4002 1 5 . 1 1 22 22 ILE H H 22 8.395 8.395 8.061 0.334 18521 4003 1 5 . 1 1 23 23 ILE N N 23 120.647 120.647 120.133 0.514 18521 4004 1 5 . 1 1 23 23 ILE HA H 23 3.713 3.713 3.821 -0.108 18521 4005 1 5 . 1 1 23 23 ILE C C 23 178.458 178.458 178.502 -0.044 18521 4006 1 5 . 1 1 23 23 ILE CA C 23 64.266 64.266 62.307 1.959 18521 4007 1 5 . 1 1 23 23 ILE CB C 23 36.272 36.272 36.159 0.113 18521 4008 1 5 . 1 1 23 23 ILE H H 23 6.824 6.824 7.408 -0.584 18521 4009 1 5 . 1 1 24 24 GLY N N 24 103.326 103.326 107.856 -4.530 18521 4010 1 5 . 1 1 24 24 GLY C C 24 174.914 174.914 175.594 -0.680 18521 4011 1 5 . 1 1 24 24 GLY CA C 24 47.998 47.998 47.035 0.963 18521 4012 1 5 . 1 1 24 24 GLY H H 24 7.412 7.412 7.789 -0.377 18521 4013 1 5 . 1 1 25 25 TYR N N 25 124.188 124.188 124.080 0.108 18521 4014 1 5 . 1 1 25 25 TYR HA H 25 3.734 3.734 3.749 -0.015 18521 4015 1 5 . 1 1 25 25 TYR C C 25 176.055 176.055 177.156 -1.101 18521 4016 1 5 . 1 1 25 25 TYR CA C 25 60.962 60.962 60.723 0.239 18521 4017 1 5 . 1 1 25 25 TYR CB C 25 37.888 37.888 37.678 0.210 18521 4018 1 5 . 1 1 25 25 TYR H H 25 7.861 7.861 8.153 -0.292 18521 4019 1 5 . 1 1 26 26 TYR N N 26 117.390 117.390 117.257 0.133 18521 4020 1 5 . 1 1 26 26 TYR HA H 26 3.881 3.881 3.945 -0.064 18521 4021 1 5 . 1 1 26 26 TYR C C 26 178.653 178.653 177.999 0.654 18521 4022 1 5 . 1 1 26 26 TYR CA C 26 64.270 64.270 62.326 1.944 18521 4023 1 5 . 1 1 26 26 TYR CB C 26 37.453 37.453 38.158 -0.705 18521 4024 1 5 . 1 1 26 26 TYR H H 26 7.594 7.594 7.549 0.045 18521 4025 1 5 . 1 1 27 27 LEU N N 27 118.536 118.536 119.556 -1.020 18521 4026 1 5 . 1 1 27 27 LEU HA H 27 4.277 4.277 3.741 0.536 18521 4027 1 5 . 1 1 27 27 LEU C C 27 179.025 179.025 178.890 0.135 18521 4028 1 5 . 1 1 27 27 LEU CA C 27 58.382 58.382 58.160 0.222 18521 4029 1 5 . 1 1 27 27 LEU CB C 27 42.595 42.595 41.018 1.577 18521 4030 1 5 . 1 1 27 27 LEU H H 27 8.226 8.226 7.837 0.389 18521 4031 1 5 . 1 1 28 28 GLN N N 28 119.110 119.110 118.006 1.104 18521 4032 1 5 . 1 1 28 28 GLN HA H 28 3.665 3.665 3.832 -0.167 18521 4033 1 5 . 1 1 28 28 GLN C C 28 177.406 177.406 178.374 -0.968 18521 4034 1 5 . 1 1 28 28 GLN CA C 28 60.626 60.626 59.027 1.599 18521 4035 1 5 . 1 1 28 28 GLN CB C 28 28.959 28.959 28.555 0.404 18521 4036 1 5 . 1 1 28 28 GLN H H 28 8.007 8.007 8.270 -0.263 18521 4037 1 5 . 1 1 29 29 LEU N N 29 121.623 121.623 120.725 0.898 18521 4038 1 5 . 1 1 29 29 LEU HA H 29 3.718 3.718 3.878 -0.160 18521 4039 1 5 . 1 1 29 29 LEU C C 29 179.706 179.706 178.027 1.679 18521 4040 1 5 . 1 1 29 29 LEU CA C 29 58.382 58.382 57.465 0.917 18521 4041 1 5 . 1 1 29 29 LEU CB C 29 42.114 42.114 41.484 0.630 18521 4042 1 5 . 1 1 29 29 LEU H H 29 7.938 7.938 7.336 0.602 18521 4043 1 5 . 1 1 30 30 TYR N N 30 120.084 120.084 120.528 -0.444 18521 4044 1 5 . 1 1 30 30 TYR HA H 30 4.132 4.132 3.965 0.167 18521 4045 1 5 . 1 1 30 30 TYR C C 30 175.611 175.611 177.060 -1.449 18521 4046 1 5 . 1 1 30 30 TYR CA C 30 58.951 58.951 60.864 -1.913 18521 4047 1 5 . 1 1 30 30 TYR CB C 30 39.302 39.302 38.029 1.273 18521 4048 1 5 . 1 1 30 30 TYR H H 30 7.974 7.974 8.049 -0.075 18521 4049 1 5 . 1 1 31 31 ALA N N 31 121.802 121.802 121.144 0.658 18521 4050 1 5 . 1 1 31 31 ALA HA H 31 3.343 3.343 3.651 -0.308 18521 4051 1 5 . 1 1 31 31 ALA C C 31 178.911 178.911 179.376 -0.465 18521 4052 1 5 . 1 1 31 31 ALA CA C 31 55.429 55.429 54.850 0.579 18521 4053 1 5 . 1 1 31 31 ALA CB C 31 17.895 17.895 18.003 -0.108 18521 4054 1 5 . 1 1 31 31 ALA H H 31 8.504 8.504 8.204 0.300 18521 4055 1 5 . 1 1 32 32 VAL N N 32 116.528 116.528 118.353 -1.825 18521 4056 1 5 . 1 1 32 32 VAL HA H 32 3.249 3.249 3.444 -0.195 18521 4057 1 5 . 1 1 32 32 VAL C C 32 176.963 176.963 177.953 -0.990 18521 4058 1 5 . 1 1 32 32 VAL CA C 32 67.723 67.723 67.012 0.711 18521 4059 1 5 . 1 1 32 32 VAL CB C 32 31.403 31.403 31.131 0.272 18521 4060 1 5 . 1 1 32 32 VAL H H 32 8.027 8.027 7.669 0.358 18521 4061 1 5 . 1 1 33 33 GLU N N 33 118.609 118.609 119.527 -0.918 18521 4062 1 5 . 1 1 33 33 GLU HA H 33 3.804 3.804 3.958 -0.154 18521 4063 1 5 . 1 1 33 33 GLU C C 33 180.234 180.234 179.305 0.929 18521 4064 1 5 . 1 1 33 33 GLU CA C 33 59.446 59.446 59.436 0.010 18521 4065 1 5 . 1 1 33 33 GLU CB C 33 28.711 28.711 29.447 -0.736 18521 4066 1 5 . 1 1 33 33 GLU H H 33 7.299 7.299 7.477 -0.178 18521 4067 1 5 . 1 1 34 34 LEU N N 34 120.831 120.831 120.262 0.569 18521 4068 1 5 . 1 1 34 34 LEU HA H 34 3.702 3.702 3.934 -0.232 18521 4069 1 5 . 1 1 34 34 LEU C C 34 180.024 180.024 179.158 0.866 18521 4070 1 5 . 1 1 34 34 LEU CA C 34 57.815 57.815 57.907 -0.092 18521 4071 1 5 . 1 1 34 34 LEU CB C 34 42.097 42.097 41.368 0.729 18521 4072 1 5 . 1 1 34 34 LEU H H 34 8.168 8.168 7.051 1.117 18521 4073 1 5 . 1 1 35 35 ILE N N 35 120.733 120.733 118.416 2.317 18521 4074 1 5 . 1 1 35 35 ILE HA H 35 3.589 3.589 3.523 0.066 18521 4075 1 5 . 1 1 35 35 ILE C C 35 178.501 178.501 178.697 -0.196 18521 4076 1 5 . 1 1 35 35 ILE CA C 35 65.363 65.363 65.244 0.119 18521 4077 1 5 . 1 1 35 35 ILE CB C 35 38.960 38.960 37.736 1.224 18521 4078 1 5 . 1 1 35 35 ILE H H 35 8.064 8.064 7.392 0.672 18521 4079 1 5 . 1 1 36 36 LEU N N 36 115.519 115.519 119.108 -3.589 18521 4080 1 5 . 1 1 36 36 LEU HA H 36 3.958 3.958 4.009 -0.051 18521 4081 1 5 . 1 1 36 36 LEU C C 36 178.244 178.244 178.217 0.027 18521 4082 1 5 . 1 1 36 36 LEU CA C 36 56.069 56.069 57.319 -1.250 18521 4083 1 5 . 1 1 36 36 LEU CB C 36 40.528 40.528 41.693 -1.165 18521 4084 1 5 . 1 1 36 36 LEU H H 36 8.370 8.370 7.939 0.431 18521 4085 1 5 . 1 1 37 37 SER N N 37 113.976 113.976 110.827 3.149 18521 4086 1 5 . 1 1 37 37 SER HA H 37 4.197 4.197 4.243 -0.046 18521 4087 1 5 . 1 1 37 37 SER C C 37 173.934 173.934 175.018 -1.084 18521 4088 1 5 . 1 1 37 37 SER CA C 37 60.204 60.204 59.694 0.510 18521 4089 1 5 . 1 1 37 37 SER CB C 37 63.507 63.507 63.385 0.122 18521 4090 1 5 . 1 1 37 37 SER H H 37 7.523 7.523 7.842 -0.319 18521 4091 1 5 . 1 1 38 38 GLU N N 38 123.219 123.219 121.806 1.413 18521 4092 1 5 . 1 1 38 38 GLU HA H 38 4.426 4.426 4.397 0.029 18521 4093 1 5 . 1 1 38 38 GLU C C 38 175.767 175.767 176.178 -0.411 18521 4094 1 5 . 1 1 38 38 GLU CA C 38 55.046 55.046 55.685 -0.639 18521 4095 1 5 . 1 1 38 38 GLU CB C 38 30.395 30.395 29.904 0.491 18521 4096 1 5 . 1 1 38 38 GLU H H 38 7.185 7.185 7.553 -0.368 18521 4097 1 5 . 1 1 39 39 GLU N N 39 126.955 126.955 122.885 4.070 18521 4098 1 5 . 1 1 39 39 GLU HA H 39 3.985 3.985 4.093 -0.108 18521 4099 1 5 . 1 1 39 39 GLU C C 39 176.861 176.861 176.461 0.400 18521 4100 1 5 . 1 1 39 39 GLU CA C 39 58.331 58.331 58.311 0.020 18521 4101 1 5 . 1 1 39 39 GLU CB C 39 30.008 30.008 30.119 -0.111 18521 4102 1 5 . 1 1 39 39 GLU H H 39 8.632 8.632 8.695 -0.063 18521 4103 1 5 . 1 1 40 40 ASP N N 40 119.763 119.763 119.652 0.111 18521 4104 1 5 . 1 1 40 40 ASP HA H 40 4.616 4.616 4.726 -0.110 18521 4105 1 5 . 1 1 40 40 ASP C C 40 174.989 174.989 175.366 -0.377 18521 4106 1 5 . 1 1 40 40 ASP CA C 40 53.281 53.281 54.321 -1.040 18521 4107 1 5 . 1 1 40 40 ASP CB C 40 39.814 39.814 40.898 -1.084 18521 4108 1 5 . 1 1 40 40 ASP H H 40 8.560 8.560 8.321 0.239 18521 4109 1 5 . 1 1 41 41 ARG N N 41 119.595 119.595 122.846 -3.251 18521 4110 1 5 . 1 1 41 41 ARG HA H 41 4.390 4.390 4.599 -0.209 18521 4111 1 5 . 1 1 41 41 ARG C C 41 175.553 175.553 175.258 0.295 18521 4112 1 5 . 1 1 41 41 ARG CA C 41 54.707 54.707 55.301 -0.594 18521 4113 1 5 . 1 1 41 41 ARG CB C 41 31.865 31.865 32.943 -1.078 18521 4114 1 5 . 1 1 41 41 ARG H H 41 7.443 7.443 8.517 -1.074 18521 4115 1 5 . 1 1 42 42 SER N N 42 119.463 119.463 118.853 0.610 18521 4116 1 5 . 1 1 42 42 SER HA H 42 4.381 4.381 4.541 -0.160 18521 4117 1 5 . 1 1 42 42 SER C C 42 175.361 175.361 175.544 -0.183 18521 4118 1 5 . 1 1 42 42 SER CA C 42 57.137 57.137 56.996 0.141 18521 4119 1 5 . 1 1 42 42 SER CB C 42 65.166 65.166 64.982 0.184 18521 4120 1 5 . 1 1 42 42 SER H H 42 8.556 8.556 8.485 0.071 18521 4121 1 5 . 1 1 43 43 GLN N N 43 122.535 122.535 121.646 0.889 18521 4122 1 5 . 1 1 43 43 GLN HA H 43 4.018 4.018 3.948 0.070 18521 4123 1 5 . 1 1 43 43 GLN C C 43 178.768 178.768 178.277 0.491 18521 4124 1 5 . 1 1 43 43 GLN CA C 43 59.073 59.073 59.860 -0.787 18521 4125 1 5 . 1 1 43 43 GLN CB C 43 27.871 27.871 28.527 -0.656 18521 4126 1 5 . 1 1 43 43 GLN H H 43 9.087 9.087 8.955 0.132 18521 4127 1 5 . 1 1 44 44 GLU N N 44 120.308 120.308 119.735 0.573 18521 4128 1 5 . 1 1 44 44 GLU HA H 44 3.982 3.982 4.071 -0.089 18521 4129 1 5 . 1 1 44 44 GLU C C 44 179.737 179.737 179.086 0.651 18521 4130 1 5 . 1 1 44 44 GLU CA C 44 60.142 60.142 58.971 1.171 18521 4131 1 5 . 1 1 44 44 GLU CB C 44 28.801 28.801 29.255 -0.454 18521 4132 1 5 . 1 1 44 44 GLU H H 44 8.958 8.958 8.051 0.907 18521 4133 1 5 . 1 1 45 45 MET N N 45 120.968 120.968 118.902 2.066 18521 4134 1 5 . 1 1 45 45 MET HA H 45 4.432 4.432 4.153 0.279 18521 4135 1 5 . 1 1 45 45 MET C C 45 178.153 178.153 178.721 -0.568 18521 4136 1 5 . 1 1 45 45 MET CA C 45 57.117 57.117 59.351 -2.234 18521 4137 1 5 . 1 1 45 45 MET CB C 45 32.517 32.517 32.774 -0.257 18521 4138 1 5 . 1 1 45 45 MET H H 45 7.740 7.740 8.072 -0.332 18521 4139 1 5 . 1 1 46 46 THR N N 46 120.159 120.159 116.560 3.599 18521 4140 1 5 . 1 1 46 46 THR HA H 46 3.620 3.620 3.930 -0.310 18521 4141 1 5 . 1 1 46 46 THR C C 46 176.389 176.389 176.148 0.241 18521 4142 1 5 . 1 1 46 46 THR CA C 46 67.416 67.416 67.491 -0.075 18521 4143 1 5 . 1 1 46 46 THR CB C 46 68.208 68.208 68.416 -0.208 18521 4144 1 5 . 1 1 46 46 THR H H 46 8.190 8.190 8.596 -0.406 18521 4145 1 5 . 1 1 47 47 ALA N N 47 124.729 124.729 123.855 0.874 18521 4146 1 5 . 1 1 47 47 ALA HA H 47 4.060 4.060 4.214 -0.154 18521 4147 1 5 . 1 1 47 47 ALA C C 47 179.554 179.554 179.288 0.266 18521 4148 1 5 . 1 1 47 47 ALA CA C 47 55.195 55.195 54.784 0.411 18521 4149 1 5 . 1 1 47 47 ALA CB C 47 17.654 17.654 18.247 -0.593 18521 4150 1 5 . 1 1 47 47 ALA H H 47 8.292 8.292 7.916 0.376 18521 4151 1 5 . 1 1 48 48 LEU N N 48 122.244 122.244 120.993 1.251 18521 4152 1 5 . 1 1 48 48 LEU HA H 48 4.195 4.195 4.078 0.117 18521 4153 1 5 . 1 1 48 48 LEU C C 48 178.022 178.022 178.565 -0.543 18521 4154 1 5 . 1 1 48 48 LEU CA C 48 57.695 57.695 57.577 0.118 18521 4155 1 5 . 1 1 48 48 LEU CB C 48 41.236 41.236 41.697 -0.461 18521 4156 1 5 . 1 1 48 48 LEU H H 48 7.723 7.723 8.063 -0.340 18521 4157 1 5 . 1 1 49 49 ALA N N 49 120.883 120.883 120.512 0.371 18521 4158 1 5 . 1 1 49 49 ALA HA H 49 3.854 3.854 3.914 -0.060 18521 4159 1 5 . 1 1 49 49 ALA C C 49 178.770 178.770 179.447 -0.677 18521 4160 1 5 . 1 1 49 49 ALA CA C 49 55.836 55.836 55.157 0.679 18521 4161 1 5 . 1 1 49 49 ALA CB C 49 17.137 17.137 18.328 -1.190 18521 4162 1 5 . 1 1 49 49 ALA H H 49 8.210 8.210 8.093 0.117 18521 4163 1 5 . 1 1 50 50 THR N N 50 113.676 113.676 115.290 -1.614 18521 4164 1 5 . 1 1 50 50 THR HA H 50 3.765 3.765 3.860 -0.095 18521 4165 1 5 . 1 1 50 50 THR C C 50 175.836 175.836 176.280 -0.444 18521 4166 1 5 . 1 1 50 50 THR CA C 50 66.975 66.975 67.757 -0.782 18521 4167 1 5 . 1 1 50 50 THR CB C 50 68.976 68.976 68.708 0.268 18521 4168 1 5 . 1 1 50 50 THR H H 50 7.891 7.891 7.704 0.187 18521 4169 1 5 . 1 1 51 51 GLU N N 51 123.445 123.445 122.367 1.078 18521 4170 1 5 . 1 1 51 51 GLU HA H 51 4.221 4.221 4.025 0.196 18521 4171 1 5 . 1 1 51 51 GLU C C 51 179.906 179.906 178.826 1.080 18521 4172 1 5 . 1 1 51 51 GLU CA C 51 59.436 59.436 59.318 0.118 18521 4173 1 5 . 1 1 51 51 GLU CB C 51 29.498 29.498 29.669 -0.171 18521 4174 1 5 . 1 1 51 51 GLU H H 51 7.877 7.877 7.974 -0.097 18521 4175 1 5 . 1 1 52 52 LEU N N 52 121.629 121.629 119.157 2.472 18521 4176 1 5 . 1 1 52 52 LEU HA H 52 3.907 3.907 4.038 -0.131 18521 4177 1 5 . 1 1 52 52 LEU C C 52 178.993 178.993 179.165 -0.172 18521 4178 1 5 . 1 1 52 52 LEU CA C 52 57.840 57.840 57.543 0.297 18521 4179 1 5 . 1 1 52 52 LEU CB C 52 42.076 42.076 41.818 0.258 18521 4180 1 5 . 1 1 52 52 LEU H H 52 8.670 8.670 7.562 1.108 18521 4181 1 5 . 1 1 53 53 LEU N N 53 119.996 119.996 120.141 -0.145 18521 4182 1 5 . 1 1 53 53 LEU HA H 53 3.949 3.949 3.789 0.160 18521 4183 1 5 . 1 1 53 53 LEU C C 53 179.950 179.950 178.972 0.978 18521 4184 1 5 . 1 1 53 53 LEU CA C 53 58.480 58.480 58.088 0.392 18521 4185 1 5 . 1 1 53 53 LEU CB C 53 41.341 41.341 41.083 0.258 18521 4186 1 5 . 1 1 53 53 LEU H H 53 8.336 8.336 7.534 0.802 18521 4187 1 5 . 1 1 54 54 ASP N N 54 120.632 120.632 118.991 1.641 18521 4188 1 5 . 1 1 54 54 ASP HA H 54 4.409 4.409 4.438 -0.029 18521 4189 1 5 . 1 1 54 54 ASP C C 54 179.383 179.383 178.919 0.464 18521 4190 1 5 . 1 1 54 54 ASP CA C 54 57.510 57.510 57.389 0.121 18521 4191 1 5 . 1 1 54 54 ASP CB C 54 40.275 40.275 40.057 0.218 18521 4192 1 5 . 1 1 54 54 ASP H H 54 7.884 7.884 7.843 0.041 18521 4193 1 5 . 1 1 55 55 THR N N 55 121.006 121.006 117.582 3.424 18521 4194 1 5 . 1 1 55 55 THR HA H 55 3.923 3.923 4.103 -0.180 18521 4195 1 5 . 1 1 55 55 THR C C 55 177.066 177.066 176.837 0.229 18521 4196 1 5 . 1 1 55 55 THR CA C 55 67.018 67.018 66.616 0.402 18521 4197 1 5 . 1 1 55 55 THR CB C 55 68.725 68.725 68.627 0.098 18521 4198 1 5 . 1 1 55 55 THR H H 55 8.279 8.279 7.496 0.783 18521 4199 1 5 . 1 1 56 56 ILE N N 56 125.465 125.465 122.938 2.527 18521 4200 1 5 . 1 1 56 56 ILE HA H 56 3.748 3.748 3.808 -0.060 18521 4201 1 5 . 1 1 56 56 ILE C C 56 177.879 177.879 178.075 -0.196 18521 4202 1 5 . 1 1 56 56 ILE CA C 56 65.765 65.765 65.888 -0.123 18521 4203 1 5 . 1 1 56 56 ILE CB C 56 38.646 38.646 37.744 0.902 18521 4204 1 5 . 1 1 56 56 ILE H H 56 8.872 8.872 8.610 0.262 18521 4205 1 5 . 1 1 57 57 GLU N N 57 119.951 119.951 119.458 0.493 18521 4206 1 5 . 1 1 57 57 GLU HA H 57 4.034 4.034 3.996 0.038 18521 4207 1 5 . 1 1 57 57 GLU C C 57 179.357 179.357 179.231 0.126 18521 4208 1 5 . 1 1 57 57 GLU CA C 57 59.241 59.241 59.766 -0.525 18521 4209 1 5 . 1 1 57 57 GLU CB C 57 29.226 29.226 29.437 -0.211 18521 4210 1 5 . 1 1 57 57 GLU H H 57 8.024 8.024 8.075 -0.051 18521 4211 1 5 . 1 1 58 58 ALA N N 58 122.402 122.402 122.878 -0.476 18521 4212 1 5 . 1 1 58 58 ALA HA H 58 4.044 4.044 4.158 -0.114 18521 4213 1 5 . 1 1 58 58 ALA C C 58 180.049 180.049 179.628 0.421 18521 4214 1 5 . 1 1 58 58 ALA CA C 58 55.167 55.167 55.044 0.123 18521 4215 1 5 . 1 1 58 58 ALA CB C 58 17.836 17.836 18.396 -0.560 18521 4216 1 5 . 1 1 58 58 ALA H H 58 8.026 8.026 8.291 -0.265 18521 4217 1 5 . 1 1 59 59 PHE N N 59 122.034 122.034 120.489 1.545 18521 4218 1 5 . 1 1 59 59 PHE HA H 59 4.165 4.165 4.205 -0.040 18521 4219 1 5 . 1 1 59 59 PHE C C 59 177.169 177.169 177.270 -0.101 18521 4220 1 5 . 1 1 59 59 PHE CA C 59 61.373 61.373 61.345 0.028 18521 4221 1 5 . 1 1 59 59 PHE CB C 59 39.384 39.384 39.685 -0.301 18521 4222 1 5 . 1 1 59 59 PHE H H 59 8.243 8.243 8.911 -0.668 18521 4223 1 5 . 1 1 60 60 LYS N N 60 117.415 117.415 119.611 -2.196 18521 4224 1 5 . 1 1 60 60 LYS HA H 60 3.490 3.490 3.661 -0.171 18521 4225 1 5 . 1 1 60 60 LYS C C 60 179.705 179.705 178.431 1.274 18521 4226 1 5 . 1 1 60 60 LYS CA C 60 60.051 60.051 59.398 0.653 18521 4227 1 5 . 1 1 60 60 LYS CB C 60 32.376 32.376 32.462 -0.086 18521 4228 1 5 . 1 1 60 60 LYS H H 60 7.978 7.978 8.642 -0.664 18521 4229 1 5 . 1 1 61 61 LYS N N 61 119.540 119.540 118.622 0.918 18521 4230 1 5 . 1 1 61 61 LYS HA H 61 3.942 3.942 3.988 -0.046 18521 4231 1 5 . 1 1 61 61 LYS C C 61 178.728 178.728 178.676 0.052 18521 4232 1 5 . 1 1 61 61 LYS CA C 61 58.878 58.878 59.380 -0.502 18521 4233 1 5 . 1 1 61 61 LYS CB C 61 32.626 32.626 32.303 0.323 18521 4234 1 5 . 1 1 61 61 LYS H H 61 7.853 7.853 8.179 -0.326 18521 4235 1 5 . 1 1 62 62 GLU N N 62 121.166 121.166 116.479 4.687 18521 4236 1 5 . 1 1 62 62 GLU HA H 62 3.933 3.933 4.047 -0.114 18521 4237 1 5 . 1 1 62 62 GLU C C 62 178.405 178.405 177.259 1.146 18521 4238 1 5 . 1 1 62 62 GLU CA C 62 58.655 58.655 58.486 0.169 18521 4239 1 5 . 1 1 62 62 GLU CB C 62 29.439 29.439 29.655 -0.216 18521 4240 1 5 . 1 1 62 62 GLU H H 62 7.956 7.956 7.624 0.332 18521 4241 1 5 . 1 1 63 63 ILE N N 63 117.896 117.896 116.600 1.296 18521 4242 1 5 . 1 1 63 63 ILE HA H 63 3.707 3.707 4.193 -0.486 18521 4243 1 5 . 1 1 63 63 ILE C C 63 177.438 177.438 176.687 0.751 18521 4244 1 5 . 1 1 63 63 ILE CA C 63 61.473 61.473 60.360 1.113 18521 4245 1 5 . 1 1 63 63 ILE CB C 63 36.546 36.546 38.959 -2.413 18521 4246 1 5 . 1 1 63 63 ILE H H 63 7.652 7.652 7.267 0.385 18521 4247 1 5 . 1 1 64 64 GLY N N 64 108.028 108.028 109.430 -1.402 18521 4248 1 5 . 1 1 64 64 GLY C C 64 175.261 175.261 175.015 0.246 18521 4249 1 5 . 1 1 64 64 GLY CA C 64 45.891 45.891 46.866 -0.975 18521 4250 1 5 . 1 1 64 64 GLY H H 64 7.654 7.654 8.210 -0.556 18521 4251 1 5 . 1 1 65 65 GLY N N 65 108.488 108.488 107.407 1.081 18521 4252 1 5 . 1 1 65 65 GLY C C 65 174.844 174.844 175.374 -0.530 18521 4253 1 5 . 1 1 65 65 GLY CA C 65 45.608 45.608 45.168 0.440 18521 4254 1 5 . 1 1 65 65 GLY H H 65 7.817 7.817 8.250 -0.433 18521 4255 1 5 . 1 1 66 66 GLU N N 66 121.078 121.078 119.048 2.030 18521 4256 1 5 . 1 1 66 66 GLU HA H 66 4.167 4.167 4.094 0.073 18521 4257 1 5 . 1 1 66 66 GLU C C 66 177.218 177.218 177.052 0.166 18521 4258 1 5 . 1 1 66 66 GLU CA C 66 57.075 57.075 58.715 -1.640 18521 4259 1 5 . 1 1 66 66 GLU CB C 66 30.015 30.015 29.847 0.168 18521 4260 1 5 . 1 1 66 66 GLU H H 66 8.195 8.195 8.741 -0.546 18521 4261 1 5 . 1 1 67 67 SER N N 67 116.370 116.370 110.866 5.504 18521 4262 1 5 . 1 1 67 67 SER HA H 67 4.187 4.187 4.468 -0.281 18521 4263 1 5 . 1 1 67 67 SER C C 67 174.670 174.670 175.226 -0.556 18521 4264 1 5 . 1 1 67 67 SER CA C 67 58.875 58.875 59.969 -1.094 18521 4265 1 5 . 1 1 67 67 SER CB C 67 63.783 63.783 63.818 -0.035 18521 4266 1 5 . 1 1 67 67 SER H H 67 8.205 8.205 8.241 -0.036 18521 4267 1 5 . 1 1 68 68 GLU N N 68 122.388 122.388 122.264 0.124 18521 4268 1 5 . 1 1 68 68 GLU HA H 68 4.173 4.173 4.107 0.066 18521 4269 1 5 . 1 1 68 68 GLU C C 68 176.364 176.364 178.014 -1.650 18521 4270 1 5 . 1 1 68 68 GLU CA C 68 56.734 56.734 59.038 -2.304 18521 4271 1 5 . 1 1 68 68 GLU CB C 68 29.986 29.986 29.411 0.575 18521 4272 1 5 . 1 1 68 68 GLU H H 68 8.170 8.170 8.772 -0.602 18521 4273 1 5 . 1 1 69 69 ALA N N 69 124.265 124.265 120.795 3.470 18521 4274 1 5 . 1 1 69 69 ALA HA H 69 4.212 4.212 4.385 -0.173 18521 4275 1 5 . 1 1 69 69 ALA C C 69 178.042 178.042 178.723 -0.681 18521 4276 1 5 . 1 1 69 69 ALA CA C 69 52.468 52.468 54.496 -2.028 18521 4277 1 5 . 1 1 69 69 ALA CB C 69 19.411 19.411 18.255 1.156 18521 4278 1 5 . 1 1 69 69 ALA H H 69 7.931 7.931 7.983 -0.052 18521 4279 1 5 . 1 1 70 70 GLU N N 70 121.086 121.086 117.642 3.444 18521 4280 1 5 . 1 1 70 70 GLU HA H 70 4.110 4.110 3.995 0.115 18521 4281 1 5 . 1 1 70 70 GLU C C 70 180.047 180.047 177.857 2.190 18521 4282 1 5 . 1 1 70 70 GLU CA C 70 57.325 57.325 58.827 -1.502 18521 4283 1 5 . 1 1 70 70 GLU CB C 70 29.969 29.969 29.764 0.205 18521 4284 1 5 . 1 1 70 70 GLU H H 70 8.447 8.447 7.759 0.688 18521 4285 1 5 . 1 1 71 71 ASP N N 71 120.210 120.210 118.221 1.989 18521 4286 1 5 . 1 1 71 71 ASP HA H 71 4.545 4.545 4.486 0.059 18521 4287 1 5 . 1 1 71 71 ASP C C 71 176.385 176.385 176.781 -0.396 18521 4288 1 5 . 1 1 71 71 ASP CA C 71 54.149 54.149 56.255 -2.106 18521 4289 1 5 . 1 1 71 71 ASP CB C 71 40.756 40.756 41.168 -0.412 18521 4290 1 5 . 1 1 71 71 ASP H H 71 8.308 8.308 7.623 0.685 18521 4291 1 5 . 1 1 72 72 SER N N 72 116.137 116.137 112.570 3.567 18521 4292 1 5 . 1 1 72 72 SER HA H 72 4.259 4.259 4.622 -0.363 18521 4293 1 5 . 1 1 72 72 SER C C 72 174.578 174.578 173.283 1.295 18521 4294 1 5 . 1 1 72 72 SER CA C 72 58.851 58.851 57.712 1.139 18521 4295 1 5 . 1 1 72 72 SER CB C 72 63.870 63.870 63.379 0.491 18521 4296 1 5 . 1 1 72 72 SER H H 72 7.954 7.954 7.652 0.302 18521 4297 1 5 . 1 1 73 73 ASP N N 73 122.500 122.500 125.407 -2.907 18521 4298 1 5 . 1 1 73 73 ASP HA H 73 4.534 4.534 4.709 -0.175 18521 4299 1 5 . 1 1 73 73 ASP C C 73 176.903 176.903 176.328 0.575 18521 4300 1 5 . 1 1 73 73 ASP CA C 73 54.442 54.442 54.137 0.305 18521 4301 1 5 . 1 1 73 73 ASP CB C 73 41.253 41.253 40.184 1.069 18521 4302 1 5 . 1 1 73 73 ASP H H 73 8.384 8.384 8.844 -0.460 18521 4303 1 5 . 1 1 74 74 LYS N N 74 123.374 123.374 119.875 3.499 18521 4304 1 5 . 1 1 74 74 LYS HA H 74 4.099 4.099 4.384 -0.285 18521 4305 1 5 . 1 1 74 74 LYS C C 74 177.606 177.606 178.643 -1.037 18521 4306 1 5 . 1 1 74 74 LYS CA C 74 57.527 57.527 58.308 -0.781 18521 4307 1 5 . 1 1 74 74 LYS CB C 74 32.115 32.115 33.488 -1.373 18521 4308 1 5 . 1 1 74 74 LYS H H 74 8.338 8.338 7.590 0.748 18521 4309 1 5 . 1 1 75 75 SER N N 75 116.404 116.404 115.567 0.837 18521 4310 1 5 . 1 1 75 75 SER HA H 75 4.190 4.190 4.267 -0.077 18521 4311 1 5 . 1 1 75 75 SER C C 75 176.030 176.030 176.397 -0.367 18521 4312 1 5 . 1 1 75 75 SER CA C 75 60.560 60.560 61.443 -0.883 18521 4313 1 5 . 1 1 75 75 SER CB C 75 62.971 62.971 63.037 -0.066 18521 4314 1 5 . 1 1 75 75 SER H H 75 8.409 8.409 8.241 0.168 18521 4315 1 5 . 1 1 76 76 LEU N N 76 123.753 123.753 123.214 0.539 18521 4316 1 5 . 1 1 76 76 LEU HA H 76 4.121 4.121 4.141 -0.020 18521 4317 1 5 . 1 1 76 76 LEU C C 76 178.263 178.263 177.593 0.670 18521 4318 1 5 . 1 1 76 76 LEU CA C 76 56.665 56.665 57.218 -0.553 18521 4319 1 5 . 1 1 76 76 LEU CB C 76 41.538 41.538 41.701 -0.163 18521 4320 1 5 . 1 1 76 76 LEU H H 76 8.068 8.068 7.838 0.230 18521 4321 1 5 . 1 1 77 77 HIS N N 77 120.235 120.235 118.415 1.820 18521 4322 1 5 . 1 1 77 77 HIS HA H 77 4.372 4.372 4.170 0.202 18521 4323 1 5 . 1 1 77 77 HIS C C 77 177.974 177.974 177.141 0.833 18521 4324 1 5 . 1 1 77 77 HIS CA C 77 58.504 58.504 59.854 -1.350 18521 4325 1 5 . 1 1 77 77 HIS CB C 77 30.124 30.124 29.505 0.619 18521 4326 1 5 . 1 1 77 77 HIS H H 77 7.955 7.955 8.219 -0.264 18521 4327 1 5 . 1 1 78 78 VAL N N 78 121.721 121.721 120.197 1.524 18521 4328 1 5 . 1 1 78 78 VAL HA H 78 3.612 3.612 3.626 -0.014 18521 4329 1 5 . 1 1 78 78 VAL C C 78 177.688 177.688 177.468 0.220 18521 4330 1 5 . 1 1 78 78 VAL CA C 78 65.817 65.817 66.169 -0.352 18521 4331 1 5 . 1 1 78 78 VAL CB C 78 31.729 31.729 31.884 -0.155 18521 4332 1 5 . 1 1 78 78 VAL H H 78 7.953 7.953 7.599 0.354 18521 4333 1 5 . 1 1 79 79 MET N N 79 119.138 119.138 118.495 0.643 18521 4334 1 5 . 1 1 79 79 MET HA H 79 3.879 3.879 3.952 -0.073 18521 4335 1 5 . 1 1 79 79 MET C C 79 180.609 180.609 177.812 2.797 18521 4336 1 5 . 1 1 79 79 MET CA C 79 59.210 59.210 59.152 0.058 18521 4337 1 5 . 1 1 79 79 MET CB C 79 34.157 34.157 32.264 1.893 18521 4338 1 5 . 1 1 79 79 MET H H 79 8.132 8.132 7.692 0.440 18521 4339 1 5 . 1 1 80 80 ASN N N 80 117.000 117.000 116.997 0.003 18521 4340 1 5 . 1 1 80 80 ASN HA H 80 4.161 4.161 4.495 -0.334 18521 4341 1 5 . 1 1 80 80 ASN C C 80 178.212 178.212 177.125 1.087 18521 4342 1 5 . 1 1 80 80 ASN CA C 80 56.827 56.827 56.514 0.313 18521 4343 1 5 . 1 1 80 80 ASN CB C 80 38.920 38.920 37.684 1.236 18521 4344 1 5 . 1 1 80 80 ASN H H 80 8.195 8.195 8.282 -0.087 18521 4345 1 5 . 1 1 81 81 THR N N 81 116.021 116.021 116.846 -0.825 18521 4346 1 5 . 1 1 81 81 THR HA H 81 3.975 3.975 4.024 -0.049 18521 4347 1 5 . 1 1 81 81 THR C C 81 175.237 175.237 176.410 -1.173 18521 4348 1 5 . 1 1 81 81 THR CA C 81 66.507 66.507 66.502 0.005 18521 4349 1 5 . 1 1 81 81 THR CB C 81 68.813 68.813 68.357 0.456 18521 4350 1 5 . 1 1 81 81 THR H H 81 7.952 7.952 7.836 0.116 18521 4351 1 5 . 1 1 82 82 LEU N N 82 119.041 119.041 120.809 -1.768 18521 4352 1 5 . 1 1 82 82 LEU HA H 82 4.040 4.040 4.067 -0.027 18521 4353 1 5 . 1 1 82 82 LEU C C 82 177.541 177.541 179.265 -1.724 18521 4354 1 5 . 1 1 82 82 LEU CA C 82 56.468 56.468 58.087 -1.619 18521 4355 1 5 . 1 1 82 82 LEU CB C 82 42.247 42.247 41.439 0.808 18521 4356 1 5 . 1 1 82 82 LEU H H 82 7.655 7.655 7.661 -0.006 18521 4357 1 5 . 1 1 83 83 ILE N N 83 118.063 118.063 117.213 0.850 18521 4358 1 5 . 1 1 83 83 ILE HA H 83 3.805 3.805 3.963 -0.158 18521 4359 1 5 . 1 1 83 83 ILE C C 83 176.681 176.681 178.032 -1.351 18521 4360 1 5 . 1 1 83 83 ILE CA C 83 63.188 63.188 64.128 -0.940 18521 4361 1 5 . 1 1 83 83 ILE CB C 83 37.939 37.939 38.208 -0.269 18521 4362 1 5 . 1 1 83 83 ILE H H 83 7.455 7.455 7.229 0.226 18521 4363 1 5 . 1 1 84 84 HIS N N 84 116.118 116.118 115.774 0.344 18521 4364 1 5 . 1 1 84 84 HIS HA H 84 4.568 4.568 4.460 0.108 18521 4365 1 5 . 1 1 84 84 HIS C C 84 175.568 175.568 175.602 -0.034 18521 4366 1 5 . 1 1 84 84 HIS CA C 84 58.425 58.425 58.970 -0.545 18521 4367 1 5 . 1 1 84 84 HIS CB C 84 31.801 31.801 30.869 0.932 18521 4368 1 5 . 1 1 84 84 HIS H H 84 7.168 7.168 8.623 -1.455 18521 4369 1 5 . 1 1 85 85 ASP N N 85 122.411 122.411 119.526 2.885 18521 4370 1 5 . 1 1 85 85 ASP HA H 85 4.546 4.546 4.762 -0.216 18521 4371 1 5 . 1 1 85 85 ASP C C 85 175.527 175.527 176.453 -0.926 18521 4372 1 5 . 1 1 85 85 ASP CA C 85 53.215 53.215 53.108 0.107 18521 4373 1 5 . 1 1 85 85 ASP CB C 85 40.936 40.936 40.760 0.176 18521 4374 1 5 . 1 1 85 85 ASP H H 85 8.576 8.576 8.089 0.487 18521 4375 1 5 . 1 1 86 86 GLN N N 86 122.561 122.561 126.697 -4.136 18521 4376 1 5 . 1 1 86 86 GLN HA H 86 4.077 4.077 4.108 -0.031 18521 4377 1 5 . 1 1 86 86 GLN C C 86 178.518 178.518 177.804 0.714 18521 4378 1 5 . 1 1 86 86 GLN CA C 86 57.816 57.816 58.707 -0.891 18521 4379 1 5 . 1 1 86 86 GLN CB C 86 29.165 29.165 28.863 0.302 18521 4380 1 5 . 1 1 86 86 GLN H H 86 8.715 8.715 8.489 0.226 18521 4381 1 5 . 1 1 87 87 GLU N N 87 121.616 121.616 120.250 1.366 18521 4382 1 5 . 1 1 87 87 GLU HA H 87 4.042 4.042 3.691 0.351 18521 4383 1 5 . 1 1 87 87 GLU C C 87 178.154 178.154 178.128 0.026 18521 4384 1 5 . 1 1 87 87 GLU CA C 87 59.051 59.051 59.685 -0.635 18521 4385 1 5 . 1 1 87 87 GLU CB C 87 29.231 29.231 29.085 0.146 18521 4386 1 5 . 1 1 87 87 GLU H H 87 8.073 8.073 7.881 0.192 18521 4387 1 5 . 1 1 88 88 LYS N N 88 119.006 119.006 119.216 -0.210 18521 4388 1 5 . 1 1 88 88 LYS HA H 88 3.754 3.754 4.054 -0.300 18521 4389 1 5 . 1 1 88 88 LYS C C 88 177.129 177.129 178.618 -1.489 18521 4390 1 5 . 1 1 88 88 LYS CA C 88 59.721 59.721 59.144 0.577 18521 4391 1 5 . 1 1 88 88 LYS CB C 88 32.253 32.253 32.236 0.017 18521 4392 1 5 . 1 1 88 88 LYS H H 88 7.525 7.525 8.319 -0.794 18521 4393 1 5 . 1 1 89 89 ALA N N 89 121.945 121.945 121.566 0.379 18521 4394 1 5 . 1 1 89 89 ALA HA H 89 3.734 3.734 4.041 -0.307 18521 4395 1 5 . 1 1 89 89 ALA C C 89 177.545 177.545 178.976 -1.431 18521 4396 1 5 . 1 1 89 89 ALA CA C 89 55.977 55.977 55.132 0.845 18521 4397 1 5 . 1 1 89 89 ALA CB C 89 18.763 18.763 17.998 0.765 18521 4398 1 5 . 1 1 89 89 ALA H H 89 8.472 8.472 7.985 0.487 18521 4399 1 5 . 1 1 90 90 LYS N N 90 117.743 117.743 119.022 -1.279 18521 4400 1 5 . 1 1 90 90 LYS HA H 90 4.015 4.015 2.766 1.249 18521 4401 1 5 . 1 1 90 90 LYS C C 90 177.667 177.667 178.456 -0.789 18521 4402 1 5 . 1 1 90 90 LYS CA C 90 58.703 58.703 58.794 -0.091 18521 4403 1 5 . 1 1 90 90 LYS CB C 90 32.779 32.779 31.554 1.225 18521 4404 1 5 . 1 1 90 90 LYS H H 90 6.684 6.684 7.687 -1.003 18521 4405 1 5 . 1 1 91 91 ILE N N 91 117.216 117.216 118.637 -1.421 18521 4406 1 5 . 1 1 91 91 ILE HA H 91 3.414 3.414 3.625 -0.211 18521 4407 1 5 . 1 1 91 91 ILE C C 91 178.422 178.422 177.957 0.465 18521 4408 1 5 . 1 1 91 91 ILE CA C 91 64.094 64.094 65.316 -1.222 18521 4409 1 5 . 1 1 91 91 ILE CB C 91 37.481 37.481 37.808 -0.327 18521 4410 1 5 . 1 1 91 91 ILE H H 91 7.196 7.196 7.331 -0.135 18521 4411 1 5 . 1 1 92 92 TYR N N 92 122.201 122.201 120.681 1.520 18521 4412 1 5 . 1 1 92 92 TYR HA H 92 4.047 4.047 4.046 0.001 18521 4413 1 5 . 1 1 92 92 TYR C C 92 177.726 177.726 177.488 0.238 18521 4414 1 5 . 1 1 92 92 TYR CA C 92 61.771 61.771 61.738 0.033 18521 4415 1 5 . 1 1 92 92 TYR CB C 92 39.295 39.295 38.397 0.898 18521 4416 1 5 . 1 1 92 92 TYR H H 92 8.466 8.466 7.577 0.889 18521 4417 1 5 . 1 1 93 93 MET N N 93 117.420 117.420 119.600 -2.180 18521 4418 1 5 . 1 1 93 93 MET HA H 93 3.896 3.896 3.969 -0.073 18521 4419 1 5 . 1 1 93 93 MET C C 93 180.221 180.221 177.819 2.402 18521 4420 1 5 . 1 1 93 93 MET CA C 93 57.586 57.586 58.272 -0.686 18521 4421 1 5 . 1 1 93 93 MET CB C 93 30.854 30.854 32.286 -1.432 18521 4422 1 5 . 1 1 93 93 MET H H 93 8.269 8.269 8.553 -0.284 18521 4423 1 5 . 1 1 94 94 LEU N N 94 125.183 125.183 120.544 4.639 18521 4424 1 5 . 1 1 94 94 LEU HA H 94 3.826 3.826 3.876 -0.050 18521 4425 1 5 . 1 1 94 94 LEU C C 94 177.787 177.787 178.237 -0.450 18521 4426 1 5 . 1 1 94 94 LEU CA C 94 58.729 58.729 58.639 0.090 18521 4427 1 5 . 1 1 94 94 LEU CB C 94 42.188 42.188 41.484 0.704 18521 4428 1 5 . 1 1 94 94 LEU H H 94 8.733 8.733 8.426 0.307 18521 4429 1 5 . 1 1 95 95 ASN N N 95 121.517 121.517 118.535 2.982 18521 4430 1 5 . 1 1 95 95 ASN HA H 95 4.184 4.184 4.338 -0.154 18521 4431 1 5 . 1 1 95 95 ASN C C 95 178.481 178.481 177.827 0.654 18521 4432 1 5 . 1 1 95 95 ASN CA C 95 56.312 56.312 56.002 0.310 18521 4433 1 5 . 1 1 95 95 ASN H H 95 8.951 8.951 8.148 0.803 18521 4434 1 5 . 1 1 96 96 PHE N N 96 122.778 122.778 121.376 1.402 18521 4435 1 5 . 1 1 96 96 PHE HA H 96 4.341 4.341 4.178 0.163 18521 4436 1 5 . 1 1 96 96 PHE C C 96 177.925 177.925 176.888 1.037 18521 4437 1 5 . 1 1 96 96 PHE CA C 96 62.427 62.427 62.180 0.247 18521 4438 1 5 . 1 1 96 96 PHE H H 96 8.454 8.454 8.346 0.108 18521 4439 1 5 . 1 1 97 97 THR N N 97 117.115 117.115 116.658 0.457 18521 4440 1 5 . 1 1 97 97 THR HA H 97 3.369 3.369 3.816 -0.447 18521 4441 1 5 . 1 1 97 97 THR C C 97 176.185 176.185 176.793 -0.608 18521 4442 1 5 . 1 1 97 97 THR CA C 97 68.090 68.090 67.024 1.066 18521 4443 1 5 . 1 1 97 97 THR CB C 97 68.087 68.087 68.217 -0.130 18521 4444 1 5 . 1 1 97 97 THR H H 97 8.209 8.209 8.717 -0.508 18521 4445 1 5 . 1 1 98 98 MET N N 98 119.373 119.373 120.181 -0.808 18521 4446 1 5 . 1 1 98 98 MET HA H 98 4.360 4.360 4.465 -0.105 18521 4447 1 5 . 1 1 98 98 MET C C 98 177.887 177.887 178.514 -0.627 18521 4448 1 5 . 1 1 98 98 MET CA C 98 58.143 58.143 57.294 0.849 18521 4449 1 5 . 1 1 98 98 MET CB C 98 31.948 31.948 31.395 0.552 18521 4450 1 5 . 1 1 98 98 MET H H 98 8.958 8.958 8.784 0.174 18521 4451 1 5 . 1 1 99 99 SER N N 99 114.517 114.517 116.221 -1.704 18521 4452 1 5 . 1 1 99 99 SER HA H 99 4.043 4.043 4.112 -0.069 18521 4453 1 5 . 1 1 99 99 SER C C 99 176.195 176.195 176.716 -0.521 18521 4454 1 5 . 1 1 99 99 SER CA C 99 62.481 62.481 61.810 0.671 18521 4455 1 5 . 1 1 99 99 SER CB C 99 62.692 62.692 62.927 -0.235 18521 4456 1 5 . 1 1 99 99 SER H H 99 7.708 7.708 8.206 -0.498 18521 4457 1 5 . 1 1 100 100 LEU N N 100 125.126 125.126 122.799 2.327 18521 4458 1 5 . 1 1 100 100 LEU HA H 100 3.913 3.913 3.937 -0.024 18521 4459 1 5 . 1 1 100 100 LEU C C 100 177.327 177.327 177.895 -0.568 18521 4460 1 5 . 1 1 100 100 LEU CA C 100 58.005 58.005 57.336 0.669 18521 4461 1 5 . 1 1 100 100 LEU CB C 100 41.841 41.841 41.561 0.280 18521 4462 1 5 . 1 1 100 100 LEU H H 100 7.277 7.277 7.703 -0.426 18521 4463 1 5 . 1 1 101 101 TYR N N 101 120.940 120.940 119.664 1.276 18521 4464 1 5 . 1 1 101 101 TYR HA H 101 4.143 4.143 4.183 -0.040 18521 4465 1 5 . 1 1 101 101 TYR C C 101 176.784 176.784 177.485 -0.701 18521 4466 1 5 . 1 1 101 101 TYR CA C 101 61.543 61.543 60.912 0.631 18521 4467 1 5 . 1 1 101 101 TYR CB C 101 40.909 40.909 38.263 2.646 18521 4468 1 5 . 1 1 101 101 TYR H H 101 8.858 8.858 8.686 0.172 18521 4469 1 5 . 1 1 102 102 ASN N N 102 119.067 119.067 117.109 1.958 18521 4470 1 5 . 1 1 102 102 ASN HA H 102 4.116 4.116 4.196 -0.080 18521 4471 1 5 . 1 1 102 102 ASN C C 102 178.713 178.713 177.484 1.229 18521 4472 1 5 . 1 1 102 102 ASN CA C 102 55.734 55.734 55.920 -0.186 18521 4473 1 5 . 1 1 102 102 ASN H H 102 8.700 8.700 8.851 -0.151 18521 4474 1 5 . 1 1 103 103 GLU N N 103 119.558 119.558 119.860 -0.302 18521 4475 1 5 . 1 1 103 103 GLU HA H 103 3.944 3.944 3.909 0.035 18521 4476 1 5 . 1 1 103 103 GLU C C 103 179.012 179.012 178.971 0.041 18521 4477 1 5 . 1 1 103 103 GLU CA C 103 59.506 59.506 59.573 -0.067 18521 4478 1 5 . 1 1 103 103 GLU CB C 103 29.349 29.349 29.501 -0.152 18521 4479 1 5 . 1 1 103 103 GLU H H 103 7.599 7.599 7.879 -0.280 18521 4480 1 5 . 1 1 104 104 LYS N N 104 120.218 120.218 118.682 1.536 18521 4481 1 5 . 1 1 104 104 LYS HA H 104 4.051 4.051 4.056 -0.005 18521 4482 1 5 . 1 1 104 104 LYS C C 104 178.477 178.477 178.834 -0.357 18521 4483 1 5 . 1 1 104 104 LYS CA C 104 56.534 56.534 57.911 -1.377 18521 4484 1 5 . 1 1 104 104 LYS CB C 104 29.108 29.108 32.011 -2.903 18521 4485 1 5 . 1 1 104 104 LYS H H 104 8.311 8.311 7.502 0.809 18521 4486 1 5 . 1 1 105 105 LEU N N 105 122.110 122.110 119.756 2.354 18521 4487 1 5 . 1 1 105 105 LEU HA H 105 3.774 3.774 3.826 -0.052 18521 4488 1 5 . 1 1 105 105 LEU C C 105 180.224 180.224 178.614 1.610 18521 4489 1 5 . 1 1 105 105 LEU CA C 105 58.148 58.148 57.843 0.305 18521 4490 1 5 . 1 1 105 105 LEU CB C 105 42.394 42.394 41.233 1.161 18521 4491 1 5 . 1 1 105 105 LEU H H 105 8.604 8.604 7.927 0.677 18521 4492 1 5 . 1 1 106 106 LYS N N 106 119.031 119.031 119.241 -0.210 18521 4493 1 5 . 1 1 106 106 LYS HA H 106 4.035 4.035 3.799 0.236 18521 4494 1 5 . 1 1 106 106 LYS C C 106 178.496 178.496 179.384 -0.888 18521 4495 1 5 . 1 1 106 106 LYS CA C 106 59.820 59.820 59.445 0.375 18521 4496 1 5 . 1 1 106 106 LYS CB C 106 31.956 31.956 32.212 -0.256 18521 4497 1 5 . 1 1 106 106 LYS H H 106 7.339 7.339 7.938 -0.599 18521 4498 1 5 . 1 1 107 107 GLN N N 107 121.417 121.417 118.620 2.797 18521 4499 1 5 . 1 1 107 107 GLN HA H 107 3.744 3.744 3.811 -0.067 18521 4500 1 5 . 1 1 107 107 GLN C C 107 178.103 178.103 178.441 -0.338 18521 4501 1 5 . 1 1 107 107 GLN CA C 107 58.582 58.582 58.332 0.250 18521 4502 1 5 . 1 1 107 107 GLN CB C 107 26.969 26.969 28.272 -1.303 18521 4503 1 5 . 1 1 107 107 GLN H H 107 7.590 7.590 7.547 0.043 18521 4504 1 5 . 1 1 108 108 LEU N N 108 120.629 120.629 118.395 2.234 18521 4505 1 5 . 1 1 108 108 LEU HA H 108 3.806 3.806 4.474 -0.668 18521 4506 1 5 . 1 1 108 108 LEU C C 108 178.978 178.978 178.323 0.655 18521 4507 1 5 . 1 1 108 108 LEU CA C 108 58.306 58.306 57.493 0.813 18521 4508 1 5 . 1 1 108 108 LEU CB C 108 42.112 42.112 41.725 0.387 18521 4509 1 5 . 1 1 108 108 LEU H H 108 8.450 8.450 7.336 1.114 18521 4510 1 5 . 1 1 109 109 LYS N N 109 119.584 119.584 117.519 2.065 18521 4511 1 5 . 1 1 109 109 LYS HA H 109 4.166 4.166 4.087 0.079 18521 4512 1 5 . 1 1 109 109 LYS C C 109 177.859 177.859 177.124 0.735 18521 4513 1 5 . 1 1 109 109 LYS CA C 109 58.746 58.746 58.746 -0.000 18521 4514 1 5 . 1 1 109 109 LYS CB C 109 32.637 32.637 32.734 -0.097 18521 4515 1 5 . 1 1 109 109 LYS H H 109 7.295 7.295 7.832 -0.537 18521 4516 1 5 . 1 1 110 110 ASP N N 110 116.950 116.950 113.281 3.669 18521 4517 1 5 . 1 1 110 110 ASP HA H 110 4.604 4.604 4.973 -0.369 18521 4518 1 5 . 1 1 110 110 ASP C C 110 177.157 177.157 175.013 2.144 18521 4519 1 5 . 1 1 110 110 ASP CA C 110 55.768 55.768 54.304 1.464 18521 4520 1 5 . 1 1 110 110 ASP CB C 110 42.724 42.724 43.504 -0.780 18521 4521 1 5 . 1 1 110 110 ASP H H 110 7.807 7.807 7.702 0.105 18521 4522 1 5 . 1 1 111 111 GLY N N 111 114.046 114.046 110.124 3.922 18521 4523 1 5 . 1 1 111 111 GLY CA C 111 41.845 41.845 44.223 -2.378 18521 4524 1 5 . 1 1 111 111 GLY H H 111 8.554 8.554 7.427 1.127 18521 4525 1 5 . 1 1 112 112 PRO HA H 112 4.552 4.552 3.997 0.555 18521 4526 1 5 . 1 1 112 112 PRO C C 112 174.967 174.967 175.675 -0.708 18521 4527 1 5 . 1 1 112 112 PRO CA C 112 61.222 61.222 62.817 -1.595 18521 4528 1 5 . 1 1 112 112 PRO CB C 112 35.056 35.056 32.097 2.959 18521 4529 1 5 . 1 1 113 113 TRP N N 113 123.139 123.139 124.476 -1.337 18521 4530 1 5 . 1 1 113 113 TRP HA H 113 4.650 4.650 4.807 -0.157 18521 4531 1 5 . 1 1 113 113 TRP C C 113 174.604 174.604 175.133 -0.529 18521 4532 1 5 . 1 1 113 113 TRP CA C 113 58.154 58.154 56.790 1.364 18521 4533 1 5 . 1 1 113 113 TRP CB C 113 27.048 27.048 31.134 -4.086 18521 4534 1 5 . 1 1 113 113 TRP H H 113 8.671 8.671 8.854 -0.183 18521 4535 1 5 . 1 1 114 114 ASP N N 114 121.440 121.440 118.700 2.740 18521 4536 1 5 . 1 1 114 114 ASP HA H 114 4.930 4.930 4.724 0.206 18521 4537 1 5 . 1 1 114 114 ASP C C 114 176.979 176.979 176.405 0.574 18521 4538 1 5 . 1 1 114 114 ASP CA C 114 52.223 52.223 52.881 -0.658 18521 4539 1 5 . 1 1 114 114 ASP CB C 114 43.192 43.192 42.133 1.059 18521 4540 1 5 . 1 1 114 114 ASP H H 114 6.950 6.950 8.124 -1.174 18521 4541 1 5 . 1 1 115 115 VAL N N 115 118.386 118.386 120.177 -1.791 18521 4542 1 5 . 1 1 115 115 VAL HA H 115 3.825 3.825 3.759 0.066 18521 4543 1 5 . 1 1 115 115 VAL C C 115 177.760 177.760 178.088 -0.328 18521 4544 1 5 . 1 1 115 115 VAL CA C 115 65.611 65.611 66.033 -0.422 18521 4545 1 5 . 1 1 115 115 VAL CB C 115 31.657 31.657 32.031 -0.374 18521 4546 1 5 . 1 1 115 115 VAL H H 115 8.181 8.181 8.471 -0.290 18521 4547 1 5 . 1 1 116 116 MET N N 116 120.354 120.354 119.130 1.224 18521 4548 1 5 . 1 1 116 116 MET HA H 116 4.284 4.284 4.163 0.121 18521 4549 1 5 . 1 1 116 116 MET C C 116 179.336 179.336 178.429 0.907 18521 4550 1 5 . 1 1 116 116 MET CA C 116 57.392 57.392 58.772 -1.380 18521 4551 1 5 . 1 1 116 116 MET CB C 116 30.450 30.450 32.239 -1.789 18521 4552 1 5 . 1 1 116 116 MET H H 116 7.661 7.661 7.969 -0.308 18521 4553 1 5 . 1 1 117 117 LEU N N 117 125.774 125.774 120.554 5.220 18521 4554 1 5 . 1 1 117 117 LEU HA H 117 4.129 4.129 4.107 0.022 18521 4555 1 5 . 1 1 117 117 LEU C C 117 178.399 178.399 178.278 0.121 18521 4556 1 5 . 1 1 117 117 LEU CA C 117 58.353 58.353 57.822 0.531 18521 4557 1 5 . 1 1 117 117 LEU CB C 117 40.392 40.392 41.594 -1.202 18521 4558 1 5 . 1 1 117 117 LEU H H 117 8.179 8.179 9.056 -0.877 18521 4559 1 5 . 1 1 118 118 LYS N N 118 118.471 118.471 119.401 -0.930 18521 4560 1 5 . 1 1 118 118 LYS HA H 118 3.824 3.824 3.956 -0.132 18521 4561 1 5 . 1 1 118 118 LYS C C 118 178.259 178.259 179.137 -0.878 18521 4562 1 5 . 1 1 118 118 LYS CA C 118 60.497 60.497 60.088 0.409 18521 4563 1 5 . 1 1 118 118 LYS CB C 118 32.355 32.355 32.309 0.046 18521 4564 1 5 . 1 1 118 118 LYS H H 118 7.359 7.359 7.626 -0.267 18521 4565 1 5 . 1 1 119 119 ARG N N 119 117.838 117.838 117.977 -0.139 18521 4566 1 5 . 1 1 119 119 ARG HA H 119 4.158 4.158 4.249 -0.091 18521 4567 1 5 . 1 1 119 119 ARG C C 119 180.132 180.132 179.135 0.997 18521 4568 1 5 . 1 1 119 119 ARG CA C 119 59.535 59.535 59.426 0.109 18521 4569 1 5 . 1 1 119 119 ARG CB C 119 29.994 29.994 30.333 -0.339 18521 4570 1 5 . 1 1 119 119 ARG H H 119 8.316 8.316 8.002 0.314 18521 4571 1 5 . 1 1 120 120 SER N N 120 117.258 117.258 116.654 0.604 18521 4572 1 5 . 1 1 120 120 SER HA H 120 4.374 4.374 4.297 0.077 18521 4573 1 5 . 1 1 120 120 SER C C 120 176.034 176.034 176.640 -0.606 18521 4574 1 5 . 1 1 120 120 SER CA C 120 62.728 62.728 61.919 0.809 18521 4575 1 5 . 1 1 120 120 SER CB C 120 63.050 63.050 62.732 0.318 18521 4576 1 5 . 1 1 120 120 SER H H 120 8.598 8.598 8.059 0.539 18521 4577 1 5 . 1 1 121 121 LEU N N 121 125.307 125.307 122.699 2.608 18521 4578 1 5 . 1 1 121 121 LEU HA H 121 4.192 4.192 4.194 -0.002 18521 4579 1 5 . 1 1 121 121 LEU C C 121 179.621 179.621 179.196 0.425 18521 4580 1 5 . 1 1 121 121 LEU CA C 121 58.894 58.894 57.814 1.080 18521 4581 1 5 . 1 1 121 121 LEU CB C 121 41.188 41.188 41.429 -0.242 18521 4582 1 5 . 1 1 121 121 LEU H H 121 8.250 8.250 8.146 0.104 18521 4583 1 5 . 1 1 122 122 TRP N N 122 120.444 120.444 119.490 0.954 18521 4584 1 5 . 1 1 122 122 TRP HA H 122 4.368 4.368 4.380 -0.012 18521 4585 1 5 . 1 1 122 122 TRP C C 122 176.943 176.943 178.621 -1.678 18521 4586 1 5 . 1 1 122 122 TRP CA C 122 61.452 61.452 61.591 -0.139 18521 4587 1 5 . 1 1 122 122 TRP CB C 122 29.823 29.823 29.137 0.686 18521 4588 1 5 . 1 1 122 122 TRP H H 122 7.873 7.873 7.717 0.156 18521 4589 1 5 . 1 1 123 123 CYS N N 123 120.188 120.188 119.408 0.780 18521 4590 1 5 . 1 1 123 123 CYS HA H 123 4.264 4.264 4.201 0.063 18521 4591 1 5 . 1 1 123 123 CYS C C 123 176.875 176.875 176.891 -0.016 18521 4592 1 5 . 1 1 123 123 CYS CA C 123 60.573 60.573 63.350 -2.777 18521 4593 1 5 . 1 1 123 123 CYS CB C 123 25.642 25.642 26.938 -1.296 18521 4594 1 5 . 1 1 123 123 CYS H H 123 8.271 8.271 8.038 0.233 18521 4595 1 5 . 1 1 124 124 CYS N N 124 116.760 116.760 119.357 -2.597 18521 4596 1 5 . 1 1 124 124 CYS HA H 124 3.880 3.880 4.002 -0.122 18521 4597 1 5 . 1 1 124 124 CYS C C 124 175.810 175.810 176.798 -0.988 18521 4598 1 5 . 1 1 124 124 CYS CA C 124 65.646 65.646 64.912 0.734 18521 4599 1 5 . 1 1 124 124 CYS CB C 124 28.069 28.069 27.855 0.214 18521 4600 1 5 . 1 1 124 124 CYS H H 124 8.208 8.208 7.983 0.225 18521 4601 1 5 . 1 1 125 125 ILE N N 125 121.167 121.167 121.135 0.032 18521 4602 1 5 . 1 1 125 125 ILE HA H 125 3.580 3.580 3.744 -0.164 18521 4603 1 5 . 1 1 125 125 ILE C C 125 179.302 179.302 177.672 1.630 18521 4604 1 5 . 1 1 125 125 ILE CA C 125 67.663 67.663 65.971 1.692 18521 4605 1 5 . 1 1 125 125 ILE CB C 125 37.988 37.988 37.477 0.511 18521 4606 1 5 . 1 1 125 125 ILE H H 125 8.073 8.073 8.126 -0.053 18521 4607 1 5 . 1 1 126 126 ASP N N 126 124.812 124.812 120.245 4.567 18521 4608 1 5 . 1 1 126 126 ASP HA H 126 4.622 4.622 4.435 0.187 18521 4609 1 5 . 1 1 126 126 ASP C C 126 178.091 178.091 179.000 -0.909 18521 4610 1 5 . 1 1 126 126 ASP CA C 126 58.885 58.885 57.489 1.396 18521 4611 1 5 . 1 1 126 126 ASP CB C 126 40.408 40.408 40.294 0.114 18521 4612 1 5 . 1 1 126 126 ASP H H 126 8.778 8.778 7.795 0.983 18521 4613 1 5 . 1 1 127 127 LEU N N 127 122.531 122.531 119.877 2.654 18521 4614 1 5 . 1 1 127 127 LEU HA H 127 3.841 3.841 3.776 0.065 18521 4615 1 5 . 1 1 127 127 LEU C C 127 179.582 179.582 178.925 0.657 18521 4616 1 5 . 1 1 127 127 LEU CA C 127 58.632 58.632 57.690 0.942 18521 4617 1 5 . 1 1 127 127 LEU CB C 127 42.680 42.680 41.598 1.082 18521 4618 1 5 . 1 1 127 127 LEU H H 127 8.888 8.888 7.330 1.558 18521 4619 1 5 . 1 1 128 128 ILE N N 128 121.311 121.311 119.473 1.838 18521 4620 1 5 . 1 1 128 128 ILE HA H 128 3.938 3.938 3.679 0.259 18521 4621 1 5 . 1 1 128 128 ILE C C 128 176.725 176.725 178.196 -1.471 18521 4622 1 5 . 1 1 128 128 ILE CA C 128 60.922 60.922 65.186 -4.264 18521 4623 1 5 . 1 1 128 128 ILE CB C 128 38.971 38.971 37.209 1.762 18521 4624 1 5 . 1 1 128 128 ILE H H 128 7.469 7.469 7.820 -0.351 18521 4625 1 5 . 1 1 129 129 ASN N N 129 122.727 122.727 117.883 4.844 18521 4626 1 5 . 1 1 129 129 ASN HA H 129 4.582 4.582 4.485 0.097 18521 4627 1 5 . 1 1 129 129 ASN C C 129 177.132 177.132 177.350 -0.218 18521 4628 1 5 . 1 1 129 129 ASN CA C 129 52.982 52.982 56.546 -3.564 18521 4629 1 5 . 1 1 129 129 ASN CB C 129 38.792 38.792 37.800 0.992 18521 4630 1 5 . 1 1 129 129 ASN H H 129 8.173 8.173 8.348 -0.175 18521 4631 1 5 . 1 1 130 130 ILE N N 130 120.527 120.527 122.645 -2.118 18521 4632 1 5 . 1 1 130 130 ILE HA H 130 4.305 4.305 3.139 1.166 18521 4633 1 5 . 1 1 130 130 ILE C C 130 175.796 175.796 177.306 -1.510 18521 4634 1 5 . 1 1 130 130 ILE CA C 130 61.246 61.246 63.505 -2.259 18521 4635 1 5 . 1 1 130 130 ILE CB C 130 38.797 38.797 36.015 2.782 18521 4636 1 5 . 1 1 130 130 ILE H H 130 8.096 8.096 7.292 0.804 18521 4637 1 5 . 1 1 131 131 ASP N N 131 122.165 122.165 121.814 0.351 18521 4638 1 5 . 1 1 131 131 ASP HA H 131 4.416 4.416 4.132 0.284 18521 4639 1 5 . 1 1 131 131 ASP C C 131 176.750 176.750 178.519 -1.769 18521 4640 1 5 . 1 1 131 131 ASP CA C 131 55.955 55.955 58.069 -2.114 18521 4641 1 5 . 1 1 131 131 ASP CB C 131 41.117 41.117 40.664 0.453 18521 4642 1 5 . 1 1 131 131 ASP H H 131 8.157 8.157 7.611 0.546 18521 4643 1 5 . 1 1 132 132 LYS N N 132 119.537 119.537 116.853 2.684 18521 4644 1 5 . 1 1 132 132 LYS HA H 132 4.373 4.373 4.056 0.317 18521 4645 1 5 . 1 1 132 132 LYS C C 132 176.405 176.405 178.024 -1.619 18521 4646 1 5 . 1 1 132 132 LYS CA C 132 55.699 55.699 58.947 -3.248 18521 4647 1 5 . 1 1 132 132 LYS CB C 132 32.822 32.822 32.363 0.459 18521 4648 1 5 . 1 1 132 132 LYS H H 132 8.023 8.023 7.620 0.403 18521 4649 1 5 . 1 1 133 133 LEU N N 133 120.242 120.242 119.309 0.933 18521 4650 1 5 . 1 1 133 133 LEU HA H 133 4.158 4.158 4.386 -0.228 18521 4651 1 5 . 1 1 133 133 LEU C C 133 178.449 178.449 179.616 -1.167 18521 4652 1 5 . 1 1 133 133 LEU CA C 133 57.538 57.538 57.856 -0.318 18521 4653 1 5 . 1 1 133 133 LEU CB C 133 41.572 41.572 43.178 -1.606 18521 4654 1 5 . 1 1 133 133 LEU H H 133 8.024 8.024 7.936 0.088 18521 4655 1 5 . 1 1 134 134 GLN N N 134 117.985 117.985 117.948 0.037 18521 4656 1 5 . 1 1 134 134 GLN HA H 134 4.018 4.018 3.863 0.155 18521 4657 1 5 . 1 1 134 134 GLN C C 134 179.500 179.500 177.050 2.450 18521 4658 1 5 . 1 1 134 134 GLN CA C 134 58.175 58.175 57.841 0.334 18521 4659 1 5 . 1 1 134 134 GLN CB C 134 29.102 29.102 28.338 0.764 18521 4660 1 5 . 1 1 134 134 GLN H H 134 8.536 8.536 8.400 0.136 18521 4661 1 5 . 1 1 135 135 TRP N N 135 115.550 115.550 116.295 -0.745 18521 4662 1 5 . 1 1 135 135 TRP HA H 135 4.991 4.991 4.949 0.042 18521 4663 1 5 . 1 1 135 135 TRP C C 135 175.170 175.170 175.280 -0.110 18521 4664 1 5 . 1 1 135 135 TRP CA C 135 59.426 59.426 55.909 3.517 18521 4665 1 5 . 1 1 135 135 TRP CB C 135 26.894 26.894 28.430 -1.536 18521 4666 1 5 . 1 1 135 135 TRP H H 135 7.727 7.727 7.449 0.278 18521 4667 1 5 . 1 1 136 136 LYS N N 136 119.841 119.841 119.456 0.385 18521 4668 1 5 . 1 1 136 136 LYS HA H 136 3.830 3.830 4.073 -0.243 18521 4669 1 5 . 1 1 136 136 LYS C C 136 178.330 178.330 178.468 -0.138 18521 4670 1 5 . 1 1 136 136 LYS CA C 136 60.194 60.194 59.525 0.669 18521 4671 1 5 . 1 1 136 136 LYS CB C 136 32.902 32.902 32.244 0.658 18521 4672 1 5 . 1 1 136 136 LYS H H 136 6.580 6.580 7.777 -1.197 18521 4673 1 5 . 1 1 137 137 GLU N N 137 115.250 115.250 117.267 -2.017 18521 4674 1 5 . 1 1 137 137 GLU HA H 137 4.177 4.177 4.135 0.042 18521 4675 1 5 . 1 1 137 137 GLU C C 137 176.698 176.698 176.947 -0.249 18521 4676 1 5 . 1 1 137 137 GLU CA C 137 57.766 57.766 58.265 -0.499 18521 4677 1 5 . 1 1 137 137 GLU CB C 137 29.221 29.221 29.241 -0.020 18521 4678 1 5 . 1 1 137 137 GLU H H 137 8.549 8.549 8.777 -0.228 18521 4679 1 5 . 1 1 138 138 ASN N N 138 116.578 116.578 115.797 0.781 18521 4680 1 5 . 1 1 138 138 ASN HA H 138 4.943 4.943 4.795 0.148 18521 4681 1 5 . 1 1 138 138 ASN C C 138 173.448 173.448 174.144 -0.696 18521 4682 1 5 . 1 1 138 138 ASN CA C 138 52.681 52.681 53.434 -0.753 18521 4683 1 5 . 1 1 138 138 ASN CB C 138 40.833 40.833 39.460 1.373 18521 4684 1 5 . 1 1 138 138 ASN H H 138 8.337 8.337 7.615 0.722 18521 4685 1 5 . 1 1 139 139 ILE N N 139 120.835 120.835 120.265 0.570 18521 4686 1 5 . 1 1 139 139 ILE HA H 139 4.339 4.339 4.296 0.043 18521 4687 1 5 . 1 1 139 139 ILE C C 139 175.219 175.219 175.286 -0.067 18521 4688 1 5 . 1 1 139 139 ILE CA C 139 60.867 60.867 60.535 0.332 18521 4689 1 5 . 1 1 139 139 ILE CB C 139 40.270 40.270 40.236 0.034 18521 4690 1 5 . 1 1 139 139 ILE H H 139 7.138 7.138 7.311 -0.173 18521 4691 1 5 . 1 1 140 140 MET N N 140 123.319 123.319 121.933 1.386 18521 4692 1 5 . 1 1 140 140 MET HA H 140 4.324 4.324 4.508 -0.184 18521 4693 1 5 . 1 1 140 140 MET C C 140 177.931 177.931 177.205 0.726 18521 4694 1 5 . 1 1 140 140 MET CA C 140 58.511 58.511 55.094 3.417 18521 4695 1 5 . 1 1 140 140 MET CB C 140 65.156 65.156 64.113 1.043 18521 4696 1 5 . 1 1 140 140 MET H H 140 8.714 8.714 8.691 0.023 18521 4697 1 5 . 1 1 141 141 LEU N N 141 120.610 120.610 123.808 -3.198 18521 4698 1 5 . 1 1 141 141 LEU HA H 141 4.047 4.047 4.065 -0.018 18521 4699 1 5 . 1 1 141 141 LEU C C 141 177.281 177.281 178.958 -1.677 18521 4700 1 5 . 1 1 141 141 LEU CA C 141 58.362 58.362 58.185 0.177 18521 4701 1 5 . 1 1 141 141 LEU H H 141 8.333 8.333 8.914 -0.581 18521 4702 1 5 . 1 1 142 142 ASP N N 142 121.268 121.268 121.528 -0.260 18521 4703 1 5 . 1 1 142 142 ASP HA H 142 4.415 4.415 4.432 -0.017 18521 4704 1 5 . 1 1 142 142 ASP C C 142 175.916 175.916 178.511 -2.595 18521 4705 1 5 . 1 1 142 142 ASP CA C 142 54.678 54.678 57.404 -2.725 18521 4706 1 5 . 1 1 142 142 ASP CB C 142 68.329 68.329 68.387 -0.058 18521 4707 1 5 . 1 1 142 142 ASP H H 142 8.199 8.199 8.300 -0.101 18521 4708 1 5 . 1 1 143 143 LEU N N 143 120.218 120.218 122.185 -1.967 18521 4709 1 5 . 1 1 143 143 LEU HA H 143 4.108 4.108 4.081 0.027 18521 4710 1 5 . 1 1 143 143 LEU C C 143 176.205 176.205 178.966 -2.761 18521 4711 1 5 . 1 1 143 143 LEU CA C 143 57.314 57.314 58.004 -0.690 18521 4712 1 5 . 1 1 143 143 LEU CB C 143 39.700 39.700 41.648 -1.948 18521 4713 1 5 . 1 1 143 143 LEU H H 143 7.858 7.858 8.097 -0.239 18521 4714 1 5 . 1 1 144 144 ILE N N 144 121.582 121.582 124.426 -2.844 18521 4715 1 5 . 1 1 144 144 ILE HA H 144 4.083 4.083 3.708 0.375 18521 4716 1 5 . 1 1 144 144 ILE C C 144 177.130 177.130 177.508 -0.378 18521 4717 1 5 . 1 1 144 144 ILE CA C 144 60.697 60.697 66.790 -6.093 18521 4718 1 5 . 1 1 144 144 ILE CB C 144 38.565 38.565 37.629 0.936 18521 4719 1 5 . 1 1 144 144 ILE H H 144 7.948 7.948 8.084 -0.136 18521 4720 1 5 . 1 1 145 145 GLU N N 145 120.974 120.974 121.598 -0.624 18521 4721 1 5 . 1 1 145 145 GLU HA H 145 4.049 4.049 4.131 -0.082 18521 4722 1 5 . 1 1 145 145 GLU C C 145 179.664 179.664 178.394 1.270 18521 4723 1 5 . 1 1 145 145 GLU CA C 145 59.673 59.673 59.827 -0.154 18521 4724 1 5 . 1 1 145 145 GLU CB C 145 29.521 29.521 29.903 -0.382 18521 4725 1 5 . 1 1 145 145 GLU H H 145 7.869 7.869 7.876 -0.007 18521 4726 1 5 . 1 1 146 146 GLN N N 146 118.520 118.520 120.396 -1.876 18521 4727 1 5 . 1 1 146 146 GLN HA H 146 4.034 4.034 4.027 0.007 18521 4728 1 5 . 1 1 146 146 GLN C C 146 178.820 178.820 178.410 0.410 18521 4729 1 5 . 1 1 146 146 GLN CA C 146 58.720 58.720 59.122 -0.402 18521 4730 1 5 . 1 1 146 146 GLN CB C 146 29.312 29.312 28.705 0.607 18521 4731 1 5 . 1 1 146 146 GLN H H 146 8.407 8.407 7.545 0.862 18521 4732 1 5 . 1 1 147 147 GLY N N 147 108.998 108.998 110.112 -1.114 18521 4733 1 5 . 1 1 147 147 GLY HA H 147 3.471 3.471 3.785 -0.314 18521 4734 1 5 . 1 1 147 147 GLY C C 147 175.794 175.794 176.345 -0.551 18521 4735 1 5 . 1 1 147 147 GLY CA C 147 47.525 47.525 48.177 -0.652 18521 4736 1 5 . 1 1 147 147 GLY CB C 147 41.801 41.801 41.446 0.355 18521 4737 1 5 . 1 1 147 147 GLY H H 147 8.059 8.059 7.651 0.408 18521 4738 1 5 . 1 1 148 148 ASP N N 148 124.022 124.022 118.697 5.325 18521 4739 1 5 . 1 1 148 148 ASP HA H 148 4.342 4.342 4.146 0.196 18521 4740 1 5 . 1 1 148 148 ASP C C 148 175.607 175.607 178.536 -2.929 18521 4741 1 5 . 1 1 148 148 ASP CA C 148 57.252 57.252 57.419 -0.167 18521 4742 1 5 . 1 1 148 148 ASP CB C 148 39.918 39.918 40.401 -0.483 18521 4743 1 5 . 1 1 148 148 ASP H H 148 8.522 8.522 8.587 -0.065 18521 4744 1 5 . 1 1 149 149 GLU N N 149 121.333 121.333 119.995 1.338 18521 4745 1 5 . 1 1 149 149 GLU HA H 149 4.008 4.008 3.955 0.053 18521 4746 1 5 . 1 1 149 149 GLU C C 149 175.652 175.652 178.735 -3.083 18521 4747 1 5 . 1 1 149 149 GLU CA C 149 59.394 59.394 59.637 -0.243 18521 4748 1 5 . 1 1 149 149 GLU CB C 149 32.048 32.048 32.250 -0.202 18521 4749 1 5 . 1 1 149 149 GLU H H 149 7.768 7.768 8.125 -0.357 18521 4750 1 5 . 1 1 150 150 LEU N N 150 120.820 120.820 119.185 1.635 18521 4751 1 5 . 1 1 150 150 LEU HA H 150 3.718 3.718 4.057 -0.339 18521 4752 1 5 . 1 1 150 150 LEU C C 150 179.476 179.476 179.434 0.042 18521 4753 1 5 . 1 1 150 150 LEU CA C 150 57.656 57.656 57.955 -0.299 18521 4754 1 5 . 1 1 150 150 LEU CB C 150 28.936 28.936 29.621 -0.685 18521 4755 1 5 . 1 1 150 150 LEU H H 150 8.113 8.113 7.302 0.811 18521 4756 1 5 . 1 1 151 151 GLN N N 151 118.698 118.698 119.318 -0.620 18521 4757 1 5 . 1 1 151 151 GLN HA H 151 3.990 3.990 3.573 0.417 18521 4758 1 5 . 1 1 151 151 GLN C C 151 178.418 178.418 177.358 1.060 18521 4759 1 5 . 1 1 151 151 GLN CA C 151 58.570 58.570 59.810 -1.240 18521 4760 1 5 . 1 1 151 151 GLN CB C 151 38.409 38.409 37.455 0.954 18521 4761 1 5 . 1 1 151 151 GLN H H 151 8.282 8.282 7.456 0.826 18521 4762 1 5 . 1 1 152 152 GLU N N 152 120.750 120.750 120.074 0.676 18521 4763 1 5 . 1 1 152 152 GLU HA H 152 4.035 4.035 3.969 0.066 18521 4764 1 5 . 1 1 152 152 GLU C C 152 178.916 178.916 178.902 0.014 18521 4765 1 5 . 1 1 152 152 GLU CA C 152 59.223 59.223 59.406 -0.183 18521 4766 1 5 . 1 1 152 152 GLU CB C 152 29.322 29.322 29.220 0.102 18521 4767 1 5 . 1 1 152 152 GLU H H 152 7.499 7.499 8.229 -0.730 18521 4768 1 5 . 1 1 153 153 VAL N N 153 120.317 120.317 120.802 -0.485 18521 4769 1 5 . 1 1 153 153 VAL HA H 153 3.695 3.695 3.793 -0.098 18521 4770 1 5 . 1 1 153 153 VAL C C 153 178.846 178.846 178.351 0.495 18521 4771 1 5 . 1 1 153 153 VAL CA C 153 65.832 65.832 66.301 -0.469 18521 4772 1 5 . 1 1 153 153 VAL CB C 153 31.921 31.921 31.836 0.085 18521 4773 1 5 . 1 1 153 153 VAL H H 153 7.763 7.763 8.551 -0.788 18521 4774 1 5 . 1 1 154 154 LEU N N 154 121.374 121.374 119.977 1.397 18521 4775 1 5 . 1 1 154 154 LEU HA H 154 3.917 3.917 4.003 -0.086 18521 4776 1 5 . 1 1 154 154 LEU C C 154 178.836 178.836 178.737 0.099 18521 4777 1 5 . 1 1 154 154 LEU CA C 154 57.439 57.439 58.613 -1.174 18521 4778 1 5 . 1 1 154 154 LEU CB C 154 41.797 41.797 40.975 0.822 18521 4779 1 5 . 1 1 154 154 LEU H H 154 7.731 7.731 8.046 -0.315 18521 4780 1 5 . 1 1 155 155 ALA N N 155 121.695 121.695 123.735 -2.040 18521 4781 1 5 . 1 1 155 155 ALA HA H 155 4.145 4.145 3.820 0.325 18521 4782 1 5 . 1 1 155 155 ALA C C 155 179.502 179.502 179.945 -0.443 18521 4783 1 5 . 1 1 155 155 ALA CA C 155 54.175 54.175 55.422 -1.247 18521 4784 1 5 . 1 1 155 155 ALA CB C 155 18.499 18.499 18.730 -0.231 18521 4785 1 5 . 1 1 155 155 ALA H H 155 7.896 7.896 7.817 0.079 18521 4786 1 5 . 1 1 156 156 MET N N 156 117.652 117.652 118.169 -0.517 18521 4787 1 5 . 1 1 156 156 MET HA H 156 4.228 4.228 3.928 0.300 18521 4788 1 5 . 1 1 156 156 MET C C 156 177.366 177.366 178.576 -1.210 18521 4789 1 5 . 1 1 156 156 MET CA C 156 57.306 57.306 59.458 -2.152 18521 4790 1 5 . 1 1 156 156 MET CB C 156 32.373 32.373 32.620 -0.246 18521 4791 1 5 . 1 1 156 156 MET H H 156 7.778 7.778 8.381 -0.603 18521 4792 1 5 . 1 1 157 157 ASN N N 157 117.853 117.853 117.622 0.231 18521 4793 1 5 . 1 1 157 157 ASN HA H 157 4.588 4.588 4.190 0.398 18521 4794 1 5 . 1 1 157 157 ASN C C 157 175.211 175.211 177.525 -2.314 18521 4795 1 5 . 1 1 157 157 ASN CA C 157 54.068 54.068 57.405 -3.337 18521 4796 1 5 . 1 1 157 157 ASN CB C 157 39.125 39.125 38.339 0.786 18521 4797 1 5 . 1 1 157 157 ASN H H 157 8.009 8.009 8.273 -0.264 18521 4798 1 5 . 1 1 158 158 ASN N N 158 117.684 117.684 117.105 0.579 18521 4799 1 5 . 1 1 158 158 ASN HA H 158 4.612 4.612 4.315 0.297 18521 4800 1 5 . 1 1 158 158 ASN C C 158 174.669 174.669 177.040 -2.371 18521 4801 1 5 . 1 1 158 158 ASN CA C 158 53.554 53.554 56.065 -2.511 18521 4802 1 5 . 1 1 158 158 ASN CB C 158 39.343 39.343 38.022 1.321 18521 4803 1 5 . 1 1 158 158 ASN H H 158 7.951 7.951 8.715 -0.764 18521 4804 1 5 . 1 1 159 159 ASN N N 159 119.399 119.399 117.712 1.687 18521 4805 1 5 . 1 1 159 159 ASN HA H 159 4.583 4.583 4.354 0.229 18521 4806 1 5 . 1 1 159 159 ASN C C 159 175.563 175.563 177.392 -1.829 18521 4807 1 5 . 1 1 159 159 ASN CA C 159 53.901 53.901 56.859 -2.958 18521 4808 1 5 . 1 1 159 159 ASN CB C 159 38.425 38.425 38.147 0.279 18521 4809 1 5 . 1 1 159 159 ASN H H 159 8.319 8.319 7.613 0.706 18521 4810 1 5 . 1 1 160 160 SER N N 160 115.453 115.453 117.594 -2.141 18521 4811 1 5 . 1 1 160 160 SER HA H 160 4.324 4.324 4.025 0.299 18521 4812 1 5 . 1 1 160 160 SER C C 160 174.952 174.952 176.761 -1.809 18521 4813 1 5 . 1 1 160 160 SER CA C 160 58.851 58.851 61.140 -2.289 18521 4814 1 5 . 1 1 160 160 SER CB C 160 63.704 63.704 62.790 0.914 18521 4815 1 5 . 1 1 160 160 SER H H 160 8.297 8.297 7.411 0.886 18521 4816 1 5 . 1 1 161 161 GLY N N 161 110.851 110.851 106.582 4.269 18521 4817 1 5 . 1 1 161 161 GLY HA H 161 4.146 4.146 4.045 0.101 18521 4818 1 5 . 1 1 161 161 GLY C C 161 173.974 173.974 177.691 -3.717 18521 4819 1 5 . 1 1 161 161 GLY CA C 161 45.348 45.348 48.103 -2.756 18521 4820 1 5 . 1 1 161 161 GLY CB C 161 42.245 42.245 41.714 0.531 18521 4821 1 5 . 1 1 161 161 GLY H H 161 8.328 8.328 8.013 0.315 18521 4822 1 5 . 1 1 162 162 GLU N N 162 120.859 120.859 118.098 2.761 18521 4823 1 5 . 1 1 162 162 GLU HA H 162 4.211 4.211 4.191 0.020 18521 4824 1 5 . 1 1 162 162 GLU C C 162 177.522 177.522 177.299 0.223 18521 4825 1 5 . 1 1 162 162 GLU CA C 162 56.065 56.065 58.872 -2.807 18521 4826 1 5 . 1 1 162 162 GLU CB C 162 29.852 29.852 28.840 1.012 18521 4827 1 5 . 1 1 162 162 GLU H H 162 8.244 8.244 7.988 0.256 18521 4828 1 5 . 1 1 163 163 LEU N N 163 124.226 124.226 118.128 6.098 18521 4829 1 5 . 1 1 163 163 LEU HA H 163 3.889 3.889 4.273 -0.384 18521 4830 1 5 . 1 1 163 163 LEU C C 163 178.043 178.043 176.996 1.047 18521 4831 1 5 . 1 1 163 163 LEU CA C 163 57.163 57.163 54.653 2.510 18521 4832 1 5 . 1 1 163 163 LEU CB C 163 41.840 41.840 42.188 -0.348 18521 4833 1 5 . 1 1 163 163 LEU H H 163 8.337 8.337 7.700 0.637 18521 4834 1 5 . 1 1 164 164 ASP N N 164 116.994 116.994 119.196 -2.202 18521 4835 1 5 . 1 1 164 164 ASP HA H 164 4.327 4.327 4.268 0.059 18521 4836 1 5 . 1 1 164 164 ASP C C 164 176.423 176.423 176.814 -0.391 18521 4837 1 5 . 1 1 164 164 ASP CA C 164 55.427 55.427 54.748 0.679 18521 4838 1 5 . 1 1 164 164 ASP H H 164 8.188 8.188 7.878 0.310 18521 4839 1 5 . 1 1 165 165 ASP N N 165 118.967 118.967 118.509 0.458 18521 4840 1 5 . 1 1 165 165 ASP HA H 165 4.443 4.443 4.502 -0.059 18521 4841 1 5 . 1 1 165 165 ASP C C 165 175.654 175.654 176.277 -0.623 18521 4842 1 5 . 1 1 165 165 ASP CA C 165 54.707 54.707 54.982 -0.275 18521 4843 1 5 . 1 1 165 165 ASP CB C 165 40.973 40.973 41.155 -0.182 18521 4844 1 5 . 1 1 165 165 ASP H H 165 7.701 7.701 7.832 -0.131 18521 4845 1 5 . 1 1 166 166 ILE N N 166 122.002 122.002 119.822 2.180 18521 4846 1 5 . 1 1 166 166 ILE HA H 166 4.049 4.049 3.970 0.079 18521 4847 1 5 . 1 1 166 166 ILE C C 166 175.180 175.180 175.126 0.054 18521 4848 1 5 . 1 1 166 166 ILE CA C 166 60.396 60.396 59.787 0.609 18521 4849 1 5 . 1 1 166 166 ILE CB C 166 39.185 39.185 37.487 1.698 18521 4850 1 5 . 1 1 166 166 ILE H H 166 7.388 7.388 7.324 0.064 18521 4851 1 6 . 1 1 2 2 ALA N N 2 122.445 122.445 126.241 -3.796 18521 4852 1 6 . 1 1 2 2 ALA HA H 2 4.045 4.045 4.034 0.011 18521 4853 1 6 . 1 1 2 2 ALA C C 2 179.992 179.992 178.678 1.314 18521 4854 1 6 . 1 1 2 2 ALA CA C 2 55.140 55.140 54.989 0.151 18521 4855 1 6 . 1 1 2 2 ALA CB C 2 18.482 18.482 18.545 -0.063 18521 4856 1 6 . 1 1 2 2 ALA H H 2 8.545 8.545 8.837 -0.292 18521 4857 1 6 . 1 1 3 3 SER N N 3 115.544 115.544 113.165 2.379 18521 4858 1 6 . 1 1 3 3 SER HA H 3 4.030 4.030 4.098 -0.068 18521 4859 1 6 . 1 1 3 3 SER C C 3 176.584 176.584 176.464 0.120 18521 4860 1 6 . 1 1 3 3 SER CA C 3 60.748 60.748 61.167 -0.419 18521 4861 1 6 . 1 1 3 3 SER CB C 3 62.416 62.416 62.390 0.026 18521 4862 1 6 . 1 1 3 3 SER H H 3 8.009 8.009 8.335 -0.326 18521 4863 1 6 . 1 1 4 4 ASN N N 4 123.103 123.103 120.069 3.034 18521 4864 1 6 . 1 1 4 4 ASN HA H 4 4.318 4.318 4.402 -0.084 18521 4865 1 6 . 1 1 4 4 ASN C C 4 176.215 176.215 176.754 -0.539 18521 4866 1 6 . 1 1 4 4 ASN CA C 4 55.580 55.580 56.027 -0.447 18521 4867 1 6 . 1 1 4 4 ASN CB C 4 38.154 38.154 38.517 -0.363 18521 4868 1 6 . 1 1 4 4 ASN H H 4 7.965 7.965 7.737 0.228 18521 4869 1 6 . 1 1 5 5 ALA N N 5 122.314 122.314 122.739 -0.425 18521 4870 1 6 . 1 1 5 5 ALA HA H 5 3.560 3.560 3.792 -0.232 18521 4871 1 6 . 1 1 5 5 ALA C C 5 178.543 178.543 178.806 -0.263 18521 4872 1 6 . 1 1 5 5 ALA CA C 5 55.774 55.774 54.823 0.951 18521 4873 1 6 . 1 1 5 5 ALA CB C 5 17.638 17.638 18.220 -0.582 18521 4874 1 6 . 1 1 5 5 ALA H H 5 8.721 8.721 7.496 1.225 18521 4875 1 6 . 1 1 6 6 ALA N N 6 117.886 117.886 121.258 -3.372 18521 4876 1 6 . 1 1 6 6 ALA HA H 6 3.784 3.784 3.935 -0.151 18521 4877 1 6 . 1 1 6 6 ALA C C 6 180.378 180.378 179.330 1.048 18521 4878 1 6 . 1 1 6 6 ALA CA C 6 55.240 55.240 55.029 0.211 18521 4879 1 6 . 1 1 6 6 ALA CB C 6 17.890 17.890 17.994 -0.104 18521 4880 1 6 . 1 1 6 6 ALA H H 6 7.891 7.891 7.438 0.453 18521 4881 1 6 . 1 1 7 7 ARG N N 7 120.992 120.992 119.256 1.736 18521 4882 1 6 . 1 1 7 7 ARG HA H 7 3.770 3.770 4.015 -0.245 18521 4883 1 6 . 1 1 7 7 ARG C C 7 179.531 179.531 178.548 0.983 18521 4884 1 6 . 1 1 7 7 ARG CA C 7 59.249 59.249 59.299 -0.050 18521 4885 1 6 . 1 1 7 7 ARG CB C 7 29.546 29.546 30.289 -0.743 18521 4886 1 6 . 1 1 7 7 ARG H H 7 7.503 7.503 7.735 -0.232 18521 4887 1 6 . 1 1 8 8 VAL N N 8 123.707 123.707 120.150 3.557 18521 4888 1 6 . 1 1 8 8 VAL HA H 8 3.285 3.285 3.677 -0.392 18521 4889 1 6 . 1 1 8 8 VAL C C 8 177.740 177.740 177.918 -0.178 18521 4890 1 6 . 1 1 8 8 VAL CA C 8 67.839 67.839 66.662 1.177 18521 4891 1 6 . 1 1 8 8 VAL CB C 8 31.516 31.516 31.691 -0.174 18521 4892 1 6 . 1 1 8 8 VAL H H 8 8.176 8.176 7.793 0.383 18521 4893 1 6 . 1 1 9 9 VAL N N 9 119.893 119.893 119.921 -0.028 18521 4894 1 6 . 1 1 9 9 VAL HA H 9 3.286 3.286 3.571 -0.285 18521 4895 1 6 . 1 1 9 9 VAL C C 9 177.535 177.535 178.037 -0.502 18521 4896 1 6 . 1 1 9 9 VAL CA C 9 67.549 67.549 66.375 1.174 18521 4897 1 6 . 1 1 9 9 VAL CB C 9 31.683 31.683 30.799 0.885 18521 4898 1 6 . 1 1 9 9 VAL H H 9 8.329 8.329 7.566 0.763 18521 4899 1 6 . 1 1 10 10 ALA N N 10 122.541 122.541 121.971 0.570 18521 4900 1 6 . 1 1 10 10 ALA HA H 10 3.971 3.971 4.079 -0.108 18521 4901 1 6 . 1 1 10 10 ALA C C 10 177.093 177.093 179.754 -2.661 18521 4902 1 6 . 1 1 10 10 ALA CA C 10 55.448 55.448 55.496 -0.048 18521 4903 1 6 . 1 1 10 10 ALA CB C 10 17.791 17.791 18.422 -0.631 18521 4904 1 6 . 1 1 10 10 ALA H H 10 7.802 7.802 8.224 -0.422 18521 4905 1 6 . 1 1 11 11 THR N N 11 116.946 116.946 115.962 0.984 18521 4906 1 6 . 1 1 11 11 THR HA H 11 3.821 3.821 3.997 -0.176 18521 4907 1 6 . 1 1 11 11 THR C C 11 175.702 175.702 176.673 -0.971 18521 4908 1 6 . 1 1 11 11 THR CA C 11 66.531 66.531 66.575 -0.044 18521 4909 1 6 . 1 1 11 11 THR CB C 11 68.493 68.493 68.398 0.095 18521 4910 1 6 . 1 1 11 11 THR H H 11 8.187 8.187 8.554 -0.367 18521 4911 1 6 . 1 1 12 12 ALA N N 12 125.357 125.357 124.253 1.104 18521 4912 1 6 . 1 1 12 12 ALA HA H 12 4.003 4.003 4.051 -0.048 18521 4913 1 6 . 1 1 12 12 ALA C C 12 179.401 179.401 179.347 0.054 18521 4914 1 6 . 1 1 12 12 ALA CA C 12 56.083 56.083 55.314 0.769 18521 4915 1 6 . 1 1 12 12 ALA CB C 12 18.855 18.855 18.227 0.628 18521 4916 1 6 . 1 1 12 12 ALA H H 12 8.641 8.641 8.294 0.347 18521 4917 1 6 . 1 1 13 13 LYS N N 13 117.246 117.246 117.420 -0.174 18521 4918 1 6 . 1 1 13 13 LYS HA H 13 3.964 3.964 4.007 -0.043 18521 4919 1 6 . 1 1 13 13 LYS C C 13 180.132 180.132 178.351 1.781 18521 4920 1 6 . 1 1 13 13 LYS CA C 13 58.991 58.991 59.536 -0.545 18521 4921 1 6 . 1 1 13 13 LYS CB C 13 32.014 32.014 32.052 -0.038 18521 4922 1 6 . 1 1 13 13 LYS H H 13 7.961 7.961 7.634 0.327 18521 4923 1 6 . 1 1 14 14 ASP N N 14 122.162 122.162 119.643 2.519 18521 4924 1 6 . 1 1 14 14 ASP HA H 14 4.355 4.355 4.403 -0.048 18521 4925 1 6 . 1 1 14 14 ASP C C 14 179.394 179.394 178.298 1.096 18521 4926 1 6 . 1 1 14 14 ASP CA C 14 57.524 57.524 56.882 0.642 18521 4927 1 6 . 1 1 14 14 ASP CB C 14 39.984 39.984 40.413 -0.428 18521 4928 1 6 . 1 1 14 14 ASP H H 14 7.702 7.702 7.717 -0.015 18521 4929 1 6 . 1 1 15 15 PHE N N 15 119.552 119.552 117.857 1.695 18521 4930 1 6 . 1 1 15 15 PHE HA H 15 4.307 4.307 4.212 0.095 18521 4931 1 6 . 1 1 15 15 PHE C C 15 178.383 178.383 177.880 0.503 18521 4932 1 6 . 1 1 15 15 PHE CA C 15 62.313 62.313 61.353 0.960 18521 4933 1 6 . 1 1 15 15 PHE CB C 15 37.340 37.340 38.796 -1.456 18521 4934 1 6 . 1 1 15 15 PHE H H 15 7.970 7.970 7.612 0.358 18521 4935 1 6 . 1 1 16 16 ASP N N 16 121.464 121.464 119.638 1.826 18521 4936 1 6 . 1 1 16 16 ASP HA H 16 4.016 4.016 4.426 -0.410 18521 4937 1 6 . 1 1 16 16 ASP C C 16 179.923 179.923 179.226 0.697 18521 4938 1 6 . 1 1 16 16 ASP CA C 16 58.030 58.030 57.146 0.884 18521 4939 1 6 . 1 1 16 16 ASP CB C 16 41.407 41.407 40.644 0.763 18521 4940 1 6 . 1 1 16 16 ASP H H 16 8.259 8.259 7.772 0.487 18521 4941 1 6 . 1 1 17 17 LYS N N 17 118.806 118.806 120.144 -1.338 18521 4942 1 6 . 1 1 17 17 LYS HA H 17 4.047 4.047 4.120 -0.073 18521 4943 1 6 . 1 1 17 17 LYS C C 17 178.432 178.432 177.800 0.632 18521 4944 1 6 . 1 1 17 17 LYS CA C 17 59.018 59.018 59.045 -0.027 18521 4945 1 6 . 1 1 17 17 LYS CB C 17 32.592 32.592 32.620 -0.028 18521 4946 1 6 . 1 1 17 17 LYS H H 17 7.842 7.842 7.600 0.242 18521 4947 1 6 . 1 1 18 18 VAL N N 18 110.416 110.416 117.136 -6.720 18521 4948 1 6 . 1 1 18 18 VAL HA H 18 4.523 4.523 4.078 0.445 18521 4949 1 6 . 1 1 18 18 VAL C C 18 176.089 176.089 175.714 0.375 18521 4950 1 6 . 1 1 18 18 VAL CA C 18 60.797 60.797 62.894 -2.097 18521 4951 1 6 . 1 1 18 18 VAL CB C 18 31.194 31.194 32.278 -1.084 18521 4952 1 6 . 1 1 18 18 VAL H H 18 7.198 7.198 7.317 -0.119 18521 4953 1 6 . 1 1 19 19 GLY N N 19 109.008 109.008 107.503 1.505 18521 4954 1 6 . 1 1 19 19 GLY C C 19 175.070 175.070 174.680 0.390 18521 4955 1 6 . 1 1 19 19 GLY CA C 19 45.842 45.842 45.401 0.441 18521 4956 1 6 . 1 1 19 19 GLY H H 19 7.731 7.731 7.635 0.096 18521 4957 1 6 . 1 1 20 20 LEU N N 20 125.244 125.244 123.129 2.115 18521 4958 1 6 . 1 1 20 20 LEU HA H 20 4.938 4.938 4.610 0.328 18521 4959 1 6 . 1 1 20 20 LEU C C 20 177.890 177.890 176.960 0.930 18521 4960 1 6 . 1 1 20 20 LEU CA C 20 52.674 52.674 53.237 -0.563 18521 4961 1 6 . 1 1 20 20 LEU CB C 20 40.239 40.239 40.009 0.230 18521 4962 1 6 . 1 1 20 20 LEU H H 20 8.102 8.102 8.212 -0.110 18521 4963 1 6 . 1 1 21 21 GLY N N 21 108.031 108.031 109.958 -1.927 18521 4964 1 6 . 1 1 21 21 GLY C C 21 176.174 176.174 175.883 0.291 18521 4965 1 6 . 1 1 21 21 GLY CA C 21 47.352 47.352 47.410 -0.058 18521 4966 1 6 . 1 1 21 21 GLY H H 21 8.046 8.046 8.027 0.019 18521 4967 1 6 . 1 1 22 22 ILE N N 22 121.173 121.173 121.897 -0.724 18521 4968 1 6 . 1 1 22 22 ILE HA H 22 3.944 3.944 3.711 0.233 18521 4969 1 6 . 1 1 22 22 ILE C C 22 176.119 176.119 177.679 -1.560 18521 4970 1 6 . 1 1 22 22 ILE CA C 22 61.179 61.179 64.725 -3.546 18521 4971 1 6 . 1 1 22 22 ILE CB C 22 35.934 35.934 37.822 -1.888 18521 4972 1 6 . 1 1 22 22 ILE H H 22 8.395 8.395 8.107 0.288 18521 4973 1 6 . 1 1 23 23 ILE N N 23 120.647 120.647 120.058 0.589 18521 4974 1 6 . 1 1 23 23 ILE HA H 23 3.713 3.713 3.819 -0.106 18521 4975 1 6 . 1 1 23 23 ILE C C 23 178.458 178.458 178.628 -0.170 18521 4976 1 6 . 1 1 23 23 ILE CA C 23 64.266 64.266 62.468 1.798 18521 4977 1 6 . 1 1 23 23 ILE CB C 23 36.272 36.272 36.195 0.077 18521 4978 1 6 . 1 1 23 23 ILE H H 23 6.824 6.824 7.321 -0.497 18521 4979 1 6 . 1 1 24 24 GLY N N 24 103.326 103.326 107.828 -4.502 18521 4980 1 6 . 1 1 24 24 GLY C C 24 174.914 174.914 175.603 -0.689 18521 4981 1 6 . 1 1 24 24 GLY CA C 24 47.998 47.998 47.037 0.961 18521 4982 1 6 . 1 1 24 24 GLY H H 24 7.412 7.412 7.912 -0.500 18521 4983 1 6 . 1 1 25 25 TYR N N 25 124.188 124.188 124.070 0.118 18521 4984 1 6 . 1 1 25 25 TYR HA H 25 3.734 3.734 3.761 -0.027 18521 4985 1 6 . 1 1 25 25 TYR C C 25 176.055 176.055 177.202 -1.147 18521 4986 1 6 . 1 1 25 25 TYR CA C 25 60.962 60.962 60.700 0.262 18521 4987 1 6 . 1 1 25 25 TYR CB C 25 37.888 37.888 37.713 0.175 18521 4988 1 6 . 1 1 25 25 TYR H H 25 7.861 7.861 8.201 -0.340 18521 4989 1 6 . 1 1 26 26 TYR N N 26 117.390 117.390 117.330 0.060 18521 4990 1 6 . 1 1 26 26 TYR HA H 26 3.881 3.881 3.927 -0.046 18521 4991 1 6 . 1 1 26 26 TYR C C 26 178.653 178.653 177.929 0.724 18521 4992 1 6 . 1 1 26 26 TYR CA C 26 64.270 64.270 62.427 1.843 18521 4993 1 6 . 1 1 26 26 TYR CB C 26 37.453 37.453 38.166 -0.713 18521 4994 1 6 . 1 1 26 26 TYR H H 26 7.594 7.594 7.563 0.031 18521 4995 1 6 . 1 1 27 27 LEU N N 27 118.536 118.536 119.482 -0.946 18521 4996 1 6 . 1 1 27 27 LEU HA H 27 4.277 4.277 3.783 0.494 18521 4997 1 6 . 1 1 27 27 LEU C C 27 179.025 179.025 178.935 0.090 18521 4998 1 6 . 1 1 27 27 LEU CA C 27 58.382 58.382 58.190 0.192 18521 4999 1 6 . 1 1 27 27 LEU CB C 27 42.595 42.595 41.000 1.595 18521 5000 1 6 . 1 1 27 27 LEU H H 27 8.226 8.226 7.801 0.425 18521 5001 1 6 . 1 1 28 28 GLN N N 28 119.110 119.110 117.917 1.193 18521 5002 1 6 . 1 1 28 28 GLN HA H 28 3.665 3.665 3.808 -0.143 18521 5003 1 6 . 1 1 28 28 GLN C C 28 177.406 177.406 178.355 -0.949 18521 5004 1 6 . 1 1 28 28 GLN CA C 28 60.626 60.626 58.987 1.639 18521 5005 1 6 . 1 1 28 28 GLN CB C 28 28.959 28.959 28.524 0.435 18521 5006 1 6 . 1 1 28 28 GLN H H 28 8.007 8.007 8.192 -0.185 18521 5007 1 6 . 1 1 29 29 LEU N N 29 121.623 121.623 120.848 0.775 18521 5008 1 6 . 1 1 29 29 LEU HA H 29 3.718 3.718 3.862 -0.144 18521 5009 1 6 . 1 1 29 29 LEU C C 29 179.706 179.706 178.077 1.629 18521 5010 1 6 . 1 1 29 29 LEU CA C 29 58.382 58.382 57.483 0.899 18521 5011 1 6 . 1 1 29 29 LEU CB C 29 42.114 42.114 41.450 0.664 18521 5012 1 6 . 1 1 29 29 LEU H H 29 7.938 7.938 7.233 0.705 18521 5013 1 6 . 1 1 30 30 TYR N N 30 120.084 120.084 120.387 -0.303 18521 5014 1 6 . 1 1 30 30 TYR HA H 30 4.132 4.132 3.869 0.263 18521 5015 1 6 . 1 1 30 30 TYR C C 30 175.611 175.611 176.974 -1.363 18521 5016 1 6 . 1 1 30 30 TYR CA C 30 58.951 58.951 59.956 -1.005 18521 5017 1 6 . 1 1 30 30 TYR CB C 30 39.302 39.302 37.818 1.484 18521 5018 1 6 . 1 1 30 30 TYR H H 30 7.974 7.974 8.133 -0.159 18521 5019 1 6 . 1 1 31 31 ALA N N 31 121.802 121.802 120.972 0.830 18521 5020 1 6 . 1 1 31 31 ALA HA H 31 3.343 3.343 3.504 -0.161 18521 5021 1 6 . 1 1 31 31 ALA C C 31 178.911 178.911 178.975 -0.064 18521 5022 1 6 . 1 1 31 31 ALA CA C 31 55.429 55.429 54.836 0.593 18521 5023 1 6 . 1 1 31 31 ALA CB C 31 17.895 17.895 18.151 -0.256 18521 5024 1 6 . 1 1 31 31 ALA H H 31 8.504 8.504 8.144 0.360 18521 5025 1 6 . 1 1 32 32 VAL N N 32 116.528 116.528 118.339 -1.811 18521 5026 1 6 . 1 1 32 32 VAL HA H 32 3.249 3.249 3.418 -0.170 18521 5027 1 6 . 1 1 32 32 VAL C C 32 176.963 176.963 177.977 -1.014 18521 5028 1 6 . 1 1 32 32 VAL CA C 32 67.723 67.723 66.946 0.777 18521 5029 1 6 . 1 1 32 32 VAL CB C 32 31.403 31.403 31.093 0.310 18521 5030 1 6 . 1 1 32 32 VAL H H 32 8.027 8.027 7.707 0.320 18521 5031 1 6 . 1 1 33 33 GLU N N 33 118.609 118.609 119.377 -0.768 18521 5032 1 6 . 1 1 33 33 GLU HA H 33 3.804 3.804 3.972 -0.168 18521 5033 1 6 . 1 1 33 33 GLU C C 33 180.234 180.234 179.279 0.955 18521 5034 1 6 . 1 1 33 33 GLU CA C 33 59.446 59.446 59.383 0.063 18521 5035 1 6 . 1 1 33 33 GLU CB C 33 28.711 28.711 29.366 -0.655 18521 5036 1 6 . 1 1 33 33 GLU H H 33 7.299 7.299 7.462 -0.163 18521 5037 1 6 . 1 1 34 34 LEU N N 34 120.831 120.831 120.239 0.592 18521 5038 1 6 . 1 1 34 34 LEU HA H 34 3.702 3.702 3.904 -0.202 18521 5039 1 6 . 1 1 34 34 LEU C C 34 180.024 180.024 178.468 1.556 18521 5040 1 6 . 1 1 34 34 LEU CA C 34 57.815 57.815 58.177 -0.362 18521 5041 1 6 . 1 1 34 34 LEU CB C 34 42.097 42.097 41.434 0.663 18521 5042 1 6 . 1 1 34 34 LEU H H 34 8.168 8.168 7.114 1.054 18521 5043 1 6 . 1 1 35 35 ILE N N 35 120.733 120.733 117.667 3.066 18521 5044 1 6 . 1 1 35 35 ILE HA H 35 3.589 3.589 3.645 -0.056 18521 5045 1 6 . 1 1 35 35 ILE C C 35 178.501 178.501 178.999 -0.498 18521 5046 1 6 . 1 1 35 35 ILE CA C 35 65.363 65.363 64.819 0.544 18521 5047 1 6 . 1 1 35 35 ILE CB C 35 38.960 38.960 38.149 0.811 18521 5048 1 6 . 1 1 35 35 ILE H H 35 8.064 8.064 7.254 0.810 18521 5049 1 6 . 1 1 36 36 LEU N N 36 115.519 115.519 119.333 -3.814 18521 5050 1 6 . 1 1 36 36 LEU HA H 36 3.958 3.958 4.012 -0.054 18521 5051 1 6 . 1 1 36 36 LEU C C 36 178.244 178.244 178.200 0.044 18521 5052 1 6 . 1 1 36 36 LEU CA C 36 56.069 56.069 57.381 -1.312 18521 5053 1 6 . 1 1 36 36 LEU CB C 36 40.528 40.528 41.719 -1.192 18521 5054 1 6 . 1 1 36 36 LEU H H 36 8.370 8.370 7.599 0.771 18521 5055 1 6 . 1 1 37 37 SER N N 37 113.976 113.976 110.717 3.259 18521 5056 1 6 . 1 1 37 37 SER HA H 37 4.197 4.197 4.370 -0.173 18521 5057 1 6 . 1 1 37 37 SER C C 37 173.934 173.934 173.800 0.134 18521 5058 1 6 . 1 1 37 37 SER CA C 37 60.204 60.204 58.865 1.339 18521 5059 1 6 . 1 1 37 37 SER CB C 37 63.507 63.507 63.537 -0.030 18521 5060 1 6 . 1 1 37 37 SER H H 37 7.523 7.523 7.922 -0.399 18521 5061 1 6 . 1 1 38 38 GLU N N 38 123.219 123.219 121.300 1.919 18521 5062 1 6 . 1 1 38 38 GLU HA H 38 4.426 4.426 4.314 0.112 18521 5063 1 6 . 1 1 38 38 GLU C C 38 175.767 175.767 176.171 -0.404 18521 5064 1 6 . 1 1 38 38 GLU CA C 38 55.046 55.046 55.780 -0.734 18521 5065 1 6 . 1 1 38 38 GLU CB C 38 30.395 30.395 30.448 -0.053 18521 5066 1 6 . 1 1 38 38 GLU H H 38 7.185 7.185 7.470 -0.285 18521 5067 1 6 . 1 1 39 39 GLU N N 39 126.955 126.955 123.657 3.298 18521 5068 1 6 . 1 1 39 39 GLU HA H 39 3.985 3.985 4.090 -0.105 18521 5069 1 6 . 1 1 39 39 GLU C C 39 176.861 176.861 175.960 0.901 18521 5070 1 6 . 1 1 39 39 GLU CA C 39 58.331 58.331 58.230 0.101 18521 5071 1 6 . 1 1 39 39 GLU CB C 39 30.008 30.008 29.919 0.088 18521 5072 1 6 . 1 1 39 39 GLU H H 39 8.632 8.632 8.585 0.047 18521 5073 1 6 . 1 1 40 40 ASP N N 40 119.763 119.763 119.777 -0.014 18521 5074 1 6 . 1 1 40 40 ASP HA H 40 4.616 4.616 4.746 -0.130 18521 5075 1 6 . 1 1 40 40 ASP C C 40 174.989 174.989 175.230 -0.241 18521 5076 1 6 . 1 1 40 40 ASP CA C 40 53.281 53.281 53.738 -0.457 18521 5077 1 6 . 1 1 40 40 ASP CB C 40 39.814 39.814 40.779 -0.966 18521 5078 1 6 . 1 1 40 40 ASP H H 40 8.560 8.560 8.128 0.432 18521 5079 1 6 . 1 1 41 41 ARG N N 41 119.595 119.595 122.023 -2.428 18521 5080 1 6 . 1 1 41 41 ARG HA H 41 4.390 4.390 4.575 -0.185 18521 5081 1 6 . 1 1 41 41 ARG C C 41 175.553 175.553 174.819 0.734 18521 5082 1 6 . 1 1 41 41 ARG CA C 41 54.707 54.707 55.291 -0.584 18521 5083 1 6 . 1 1 41 41 ARG CB C 41 31.865 31.865 34.001 -2.136 18521 5084 1 6 . 1 1 41 41 ARG H H 41 7.443 7.443 8.528 -1.085 18521 5085 1 6 . 1 1 42 42 SER N N 42 119.463 119.463 118.456 1.007 18521 5086 1 6 . 1 1 42 42 SER HA H 42 4.381 4.381 4.757 -0.376 18521 5087 1 6 . 1 1 42 42 SER C C 42 175.361 175.361 174.652 0.709 18521 5088 1 6 . 1 1 42 42 SER CA C 42 57.137 57.137 56.559 0.578 18521 5089 1 6 . 1 1 42 42 SER CB C 42 65.166 65.166 65.529 -0.363 18521 5090 1 6 . 1 1 42 42 SER H H 42 8.556 8.556 8.263 0.293 18521 5091 1 6 . 1 1 43 43 GLN N N 43 122.535 122.535 122.685 -0.150 18521 5092 1 6 . 1 1 43 43 GLN HA H 43 4.018 4.018 3.995 0.023 18521 5093 1 6 . 1 1 43 43 GLN C C 43 178.768 178.768 177.861 0.907 18521 5094 1 6 . 1 1 43 43 GLN CA C 43 59.073 59.073 59.286 -0.213 18521 5095 1 6 . 1 1 43 43 GLN CB C 43 27.871 27.871 28.537 -0.666 18521 5096 1 6 . 1 1 43 43 GLN H H 43 9.087 9.087 8.926 0.161 18521 5097 1 6 . 1 1 44 44 GLU N N 44 120.308 120.308 119.087 1.221 18521 5098 1 6 . 1 1 44 44 GLU HA H 44 3.982 3.982 4.145 -0.163 18521 5099 1 6 . 1 1 44 44 GLU C C 44 179.737 179.737 179.070 0.667 18521 5100 1 6 . 1 1 44 44 GLU CA C 44 60.142 60.142 59.048 1.094 18521 5101 1 6 . 1 1 44 44 GLU CB C 44 28.801 28.801 28.878 -0.077 18521 5102 1 6 . 1 1 44 44 GLU H H 44 8.958 8.958 8.887 0.071 18521 5103 1 6 . 1 1 45 45 MET N N 45 120.968 120.968 119.244 1.724 18521 5104 1 6 . 1 1 45 45 MET HA H 45 4.432 4.432 4.250 0.182 18521 5105 1 6 . 1 1 45 45 MET C C 45 178.153 178.153 178.070 0.083 18521 5106 1 6 . 1 1 45 45 MET CA C 45 57.117 57.117 58.623 -1.506 18521 5107 1 6 . 1 1 45 45 MET CB C 45 32.517 32.517 32.608 -0.091 18521 5108 1 6 . 1 1 45 45 MET H H 45 7.740 7.740 7.957 -0.217 18521 5109 1 6 . 1 1 46 46 THR N N 46 120.159 120.159 116.422 3.737 18521 5110 1 6 . 1 1 46 46 THR HA H 46 3.620 3.620 3.840 -0.220 18521 5111 1 6 . 1 1 46 46 THR C C 46 176.389 176.389 176.285 0.104 18521 5112 1 6 . 1 1 46 46 THR CA C 46 67.416 67.416 67.364 0.052 18521 5113 1 6 . 1 1 46 46 THR CB C 46 68.208 68.208 68.639 -0.431 18521 5114 1 6 . 1 1 46 46 THR H H 46 8.190 8.190 8.725 -0.535 18521 5115 1 6 . 1 1 47 47 ALA N N 47 124.729 124.729 123.697 1.032 18521 5116 1 6 . 1 1 47 47 ALA HA H 47 4.060 4.060 4.110 -0.050 18521 5117 1 6 . 1 1 47 47 ALA C C 47 179.554 179.554 178.976 0.578 18521 5118 1 6 . 1 1 47 47 ALA CA C 47 55.195 55.195 54.862 0.333 18521 5119 1 6 . 1 1 47 47 ALA CB C 47 17.654 17.654 18.348 -0.694 18521 5120 1 6 . 1 1 47 47 ALA H H 47 8.292 8.292 7.890 0.402 18521 5121 1 6 . 1 1 48 48 LEU N N 48 122.244 122.244 120.303 1.941 18521 5122 1 6 . 1 1 48 48 LEU HA H 48 4.195 4.195 3.978 0.217 18521 5123 1 6 . 1 1 48 48 LEU C C 48 178.022 178.022 178.444 -0.422 18521 5124 1 6 . 1 1 48 48 LEU CA C 48 57.695 57.695 57.526 0.168 18521 5125 1 6 . 1 1 48 48 LEU CB C 48 41.236 41.236 41.531 -0.295 18521 5126 1 6 . 1 1 48 48 LEU H H 48 7.723 7.723 7.508 0.215 18521 5127 1 6 . 1 1 49 49 ALA N N 49 120.883 120.883 120.294 0.589 18521 5128 1 6 . 1 1 49 49 ALA HA H 49 3.854 3.854 3.905 -0.051 18521 5129 1 6 . 1 1 49 49 ALA C C 49 178.770 178.770 179.381 -0.611 18521 5130 1 6 . 1 1 49 49 ALA CA C 49 55.836 55.836 55.118 0.718 18521 5131 1 6 . 1 1 49 49 ALA CB C 49 17.137 17.137 18.167 -1.030 18521 5132 1 6 . 1 1 49 49 ALA H H 49 8.210 8.210 7.890 0.320 18521 5133 1 6 . 1 1 50 50 THR N N 50 113.676 113.676 115.165 -1.489 18521 5134 1 6 . 1 1 50 50 THR HA H 50 3.765 3.765 3.892 -0.127 18521 5135 1 6 . 1 1 50 50 THR C C 50 175.836 175.836 176.549 -0.713 18521 5136 1 6 . 1 1 50 50 THR CA C 50 66.975 66.975 67.127 -0.152 18521 5137 1 6 . 1 1 50 50 THR CB C 50 68.976 68.976 68.639 0.337 18521 5138 1 6 . 1 1 50 50 THR H H 50 7.891 7.891 7.594 0.297 18521 5139 1 6 . 1 1 51 51 GLU N N 51 123.445 123.445 121.693 1.752 18521 5140 1 6 . 1 1 51 51 GLU HA H 51 4.221 4.221 4.074 0.147 18521 5141 1 6 . 1 1 51 51 GLU C C 51 179.906 179.906 178.791 1.115 18521 5142 1 6 . 1 1 51 51 GLU CA C 51 59.436 59.436 59.126 0.310 18521 5143 1 6 . 1 1 51 51 GLU CB C 51 29.498 29.498 29.244 0.254 18521 5144 1 6 . 1 1 51 51 GLU H H 51 7.877 7.877 7.876 0.001 18521 5145 1 6 . 1 1 52 52 LEU N N 52 121.629 121.629 118.765 2.864 18521 5146 1 6 . 1 1 52 52 LEU HA H 52 3.907 3.907 4.051 -0.144 18521 5147 1 6 . 1 1 52 52 LEU C C 52 178.993 178.993 178.835 0.158 18521 5148 1 6 . 1 1 52 52 LEU CA C 52 57.840 57.840 57.590 0.250 18521 5149 1 6 . 1 1 52 52 LEU CB C 52 42.076 42.076 41.754 0.322 18521 5150 1 6 . 1 1 52 52 LEU H H 52 8.670 8.670 7.423 1.247 18521 5151 1 6 . 1 1 53 53 LEU N N 53 119.996 119.996 119.144 0.852 18521 5152 1 6 . 1 1 53 53 LEU HA H 53 3.949 3.949 3.832 0.117 18521 5153 1 6 . 1 1 53 53 LEU C C 53 179.950 179.950 178.821 1.129 18521 5154 1 6 . 1 1 53 53 LEU CA C 53 58.480 58.480 58.037 0.443 18521 5155 1 6 . 1 1 53 53 LEU CB C 53 41.341 41.341 41.096 0.245 18521 5156 1 6 . 1 1 53 53 LEU H H 53 8.336 8.336 7.256 1.080 18521 5157 1 6 . 1 1 54 54 ASP N N 54 120.632 120.632 118.569 2.063 18521 5158 1 6 . 1 1 54 54 ASP HA H 54 4.409 4.409 4.370 0.039 18521 5159 1 6 . 1 1 54 54 ASP C C 54 179.383 179.383 178.608 0.775 18521 5160 1 6 . 1 1 54 54 ASP CA C 54 57.510 57.510 57.773 -0.263 18521 5161 1 6 . 1 1 54 54 ASP CB C 54 40.275 40.275 40.926 -0.651 18521 5162 1 6 . 1 1 54 54 ASP H H 54 7.884 7.884 7.723 0.161 18521 5163 1 6 . 1 1 55 55 THR N N 55 121.006 121.006 117.205 3.801 18521 5164 1 6 . 1 1 55 55 THR HA H 55 3.923 3.923 4.104 -0.181 18521 5165 1 6 . 1 1 55 55 THR C C 55 177.066 177.066 176.898 0.168 18521 5166 1 6 . 1 1 55 55 THR CA C 55 67.018 67.018 66.661 0.357 18521 5167 1 6 . 1 1 55 55 THR CB C 55 68.725 68.725 68.510 0.215 18521 5168 1 6 . 1 1 55 55 THR H H 55 8.279 8.279 7.438 0.841 18521 5169 1 6 . 1 1 56 56 ILE N N 56 125.465 125.465 122.795 2.670 18521 5170 1 6 . 1 1 56 56 ILE HA H 56 3.748 3.748 3.801 -0.053 18521 5171 1 6 . 1 1 56 56 ILE C C 56 177.879 177.879 178.223 -0.344 18521 5172 1 6 . 1 1 56 56 ILE CA C 56 65.765 65.765 65.974 -0.209 18521 5173 1 6 . 1 1 56 56 ILE CB C 56 38.646 38.646 37.640 1.006 18521 5174 1 6 . 1 1 56 56 ILE H H 56 8.872 8.872 8.466 0.406 18521 5175 1 6 . 1 1 57 57 GLU N N 57 119.951 119.951 118.990 0.961 18521 5176 1 6 . 1 1 57 57 GLU HA H 57 4.034 4.034 4.042 -0.008 18521 5177 1 6 . 1 1 57 57 GLU C C 57 179.357 179.357 179.293 0.064 18521 5178 1 6 . 1 1 57 57 GLU CA C 57 59.241 59.241 59.254 -0.013 18521 5179 1 6 . 1 1 57 57 GLU CB C 57 29.226 29.226 29.072 0.154 18521 5180 1 6 . 1 1 57 57 GLU H H 57 8.024 8.024 8.245 -0.221 18521 5181 1 6 . 1 1 58 58 ALA N N 58 122.402 122.402 122.684 -0.282 18521 5182 1 6 . 1 1 58 58 ALA HA H 58 4.044 4.044 4.149 -0.105 18521 5183 1 6 . 1 1 58 58 ALA C C 58 180.049 180.049 179.697 0.352 18521 5184 1 6 . 1 1 58 58 ALA CA C 58 55.167 55.167 55.004 0.163 18521 5185 1 6 . 1 1 58 58 ALA CB C 58 17.836 17.836 18.354 -0.518 18521 5186 1 6 . 1 1 58 58 ALA H H 58 8.026 8.026 8.355 -0.329 18521 5187 1 6 . 1 1 59 59 PHE N N 59 122.034 122.034 119.817 2.217 18521 5188 1 6 . 1 1 59 59 PHE HA H 59 4.165 4.165 4.088 0.077 18521 5189 1 6 . 1 1 59 59 PHE C C 59 177.169 177.169 177.065 0.104 18521 5190 1 6 . 1 1 59 59 PHE CA C 59 61.373 61.373 61.331 0.042 18521 5191 1 6 . 1 1 59 59 PHE CB C 59 39.384 39.384 39.482 -0.098 18521 5192 1 6 . 1 1 59 59 PHE H H 59 8.243 8.243 8.879 -0.636 18521 5193 1 6 . 1 1 60 60 LYS N N 60 117.415 117.415 119.504 -2.089 18521 5194 1 6 . 1 1 60 60 LYS HA H 60 3.490 3.490 3.641 -0.151 18521 5195 1 6 . 1 1 60 60 LYS C C 60 179.705 179.705 178.628 1.077 18521 5196 1 6 . 1 1 60 60 LYS CA C 60 60.051 60.051 59.457 0.594 18521 5197 1 6 . 1 1 60 60 LYS CB C 60 32.376 32.376 32.429 -0.053 18521 5198 1 6 . 1 1 60 60 LYS H H 60 7.978 7.978 8.437 -0.459 18521 5199 1 6 . 1 1 61 61 LYS N N 61 119.540 119.540 118.071 1.469 18521 5200 1 6 . 1 1 61 61 LYS HA H 61 3.942 3.942 3.955 -0.013 18521 5201 1 6 . 1 1 61 61 LYS C C 61 178.728 178.728 179.169 -0.441 18521 5202 1 6 . 1 1 61 61 LYS CA C 61 58.878 58.878 59.420 -0.542 18521 5203 1 6 . 1 1 61 61 LYS CB C 61 32.626 32.626 32.258 0.368 18521 5204 1 6 . 1 1 61 61 LYS H H 61 7.853 7.853 7.820 0.033 18521 5205 1 6 . 1 1 62 62 GLU N N 62 121.166 121.166 116.321 4.845 18521 5206 1 6 . 1 1 62 62 GLU HA H 62 3.933 3.933 4.009 -0.076 18521 5207 1 6 . 1 1 62 62 GLU C C 62 178.405 178.405 177.483 0.922 18521 5208 1 6 . 1 1 62 62 GLU CA C 62 58.655 58.655 58.379 0.276 18521 5209 1 6 . 1 1 62 62 GLU CB C 62 29.439 29.439 29.712 -0.273 18521 5210 1 6 . 1 1 62 62 GLU H H 62 7.956 7.956 7.454 0.502 18521 5211 1 6 . 1 1 63 63 ILE N N 63 117.896 117.896 116.956 0.940 18521 5212 1 6 . 1 1 63 63 ILE HA H 63 3.707 3.707 4.105 -0.398 18521 5213 1 6 . 1 1 63 63 ILE C C 63 177.438 177.438 176.671 0.767 18521 5214 1 6 . 1 1 63 63 ILE CA C 63 61.473 61.473 60.264 1.209 18521 5215 1 6 . 1 1 63 63 ILE CB C 63 36.546 36.546 38.946 -2.400 18521 5216 1 6 . 1 1 63 63 ILE H H 63 7.652 7.652 7.212 0.440 18521 5217 1 6 . 1 1 64 64 GLY N N 64 108.028 108.028 109.196 -1.168 18521 5218 1 6 . 1 1 64 64 GLY C C 64 175.261 175.261 175.202 0.059 18521 5219 1 6 . 1 1 64 64 GLY CA C 64 45.891 45.891 46.612 -0.721 18521 5220 1 6 . 1 1 64 64 GLY H H 64 7.654 7.654 8.154 -0.500 18521 5221 1 6 . 1 1 65 65 GLY N N 65 108.488 108.488 107.672 0.816 18521 5222 1 6 . 1 1 65 65 GLY C C 65 174.844 174.844 175.290 -0.446 18521 5223 1 6 . 1 1 65 65 GLY CA C 65 45.608 45.608 45.159 0.449 18521 5224 1 6 . 1 1 65 65 GLY H H 65 7.817 7.817 8.184 -0.367 18521 5225 1 6 . 1 1 66 66 GLU N N 66 121.078 121.078 119.021 2.057 18521 5226 1 6 . 1 1 66 66 GLU HA H 66 4.167 4.167 4.082 0.085 18521 5227 1 6 . 1 1 66 66 GLU C C 66 177.218 177.218 177.055 0.163 18521 5228 1 6 . 1 1 66 66 GLU CA C 66 57.075 57.075 58.745 -1.671 18521 5229 1 6 . 1 1 66 66 GLU CB C 66 30.015 30.015 29.804 0.211 18521 5230 1 6 . 1 1 66 66 GLU H H 66 8.195 8.195 8.687 -0.492 18521 5231 1 6 . 1 1 67 67 SER N N 67 116.370 116.370 110.963 5.407 18521 5232 1 6 . 1 1 67 67 SER HA H 67 4.187 4.187 4.461 -0.274 18521 5233 1 6 . 1 1 67 67 SER C C 67 174.670 174.670 175.309 -0.639 18521 5234 1 6 . 1 1 67 67 SER CA C 67 58.875 58.875 60.193 -1.318 18521 5235 1 6 . 1 1 67 67 SER CB C 67 63.783 63.783 63.734 0.049 18521 5236 1 6 . 1 1 67 67 SER H H 67 8.205 8.205 8.223 -0.018 18521 5237 1 6 . 1 1 68 68 GLU N N 68 122.388 122.388 122.231 0.157 18521 5238 1 6 . 1 1 68 68 GLU HA H 68 4.173 4.173 4.095 0.078 18521 5239 1 6 . 1 1 68 68 GLU C C 68 176.364 176.364 178.051 -1.687 18521 5240 1 6 . 1 1 68 68 GLU CA C 68 56.734 56.734 59.015 -2.281 18521 5241 1 6 . 1 1 68 68 GLU CB C 68 29.986 29.986 29.392 0.594 18521 5242 1 6 . 1 1 68 68 GLU H H 68 8.170 8.170 8.773 -0.603 18521 5243 1 6 . 1 1 69 69 ALA N N 69 124.265 124.265 120.955 3.310 18521 5244 1 6 . 1 1 69 69 ALA HA H 69 4.212 4.212 4.341 -0.129 18521 5245 1 6 . 1 1 69 69 ALA C C 69 178.042 178.042 178.801 -0.759 18521 5246 1 6 . 1 1 69 69 ALA CA C 69 52.468 52.468 54.520 -2.052 18521 5247 1 6 . 1 1 69 69 ALA CB C 69 19.411 19.411 18.253 1.158 18521 5248 1 6 . 1 1 69 69 ALA H H 69 7.931 7.931 7.973 -0.042 18521 5249 1 6 . 1 1 70 70 GLU N N 70 121.086 121.086 117.682 3.404 18521 5250 1 6 . 1 1 70 70 GLU HA H 70 4.110 4.110 4.002 0.108 18521 5251 1 6 . 1 1 70 70 GLU C C 70 180.047 180.047 177.833 2.214 18521 5252 1 6 . 1 1 70 70 GLU CA C 70 57.325 57.325 58.871 -1.546 18521 5253 1 6 . 1 1 70 70 GLU CB C 70 29.969 29.969 29.753 0.216 18521 5254 1 6 . 1 1 70 70 GLU H H 70 8.447 8.447 7.780 0.667 18521 5255 1 6 . 1 1 71 71 ASP N N 71 120.210 120.210 118.279 1.931 18521 5256 1 6 . 1 1 71 71 ASP HA H 71 4.545 4.545 4.483 0.062 18521 5257 1 6 . 1 1 71 71 ASP C C 71 176.385 176.385 176.607 -0.222 18521 5258 1 6 . 1 1 71 71 ASP CA C 71 54.149 54.149 56.033 -1.884 18521 5259 1 6 . 1 1 71 71 ASP CB C 71 40.756 40.756 41.226 -0.470 18521 5260 1 6 . 1 1 71 71 ASP H H 71 8.308 8.308 7.707 0.601 18521 5261 1 6 . 1 1 72 72 SER N N 72 116.137 116.137 112.256 3.881 18521 5262 1 6 . 1 1 72 72 SER HA H 72 4.259 4.259 4.659 -0.400 18521 5263 1 6 . 1 1 72 72 SER C C 72 174.578 174.578 173.623 0.955 18521 5264 1 6 . 1 1 72 72 SER CA C 72 58.851 58.851 57.824 1.027 18521 5265 1 6 . 1 1 72 72 SER CB C 72 63.870 63.870 64.201 -0.331 18521 5266 1 6 . 1 1 72 72 SER H H 72 7.954 7.954 7.759 0.195 18521 5267 1 6 . 1 1 73 73 ASP N N 73 122.500 122.500 122.534 -0.034 18521 5268 1 6 . 1 1 73 73 ASP HA H 73 4.534 4.534 4.687 -0.153 18521 5269 1 6 . 1 1 73 73 ASP C C 73 176.903 176.903 176.138 0.765 18521 5270 1 6 . 1 1 73 73 ASP CA C 73 54.442 54.442 55.053 -0.612 18521 5271 1 6 . 1 1 73 73 ASP CB C 73 41.253 41.253 40.589 0.664 18521 5272 1 6 . 1 1 73 73 ASP H H 73 8.384 8.384 8.911 -0.527 18521 5273 1 6 . 1 1 74 74 LYS N N 74 123.374 123.374 120.106 3.268 18521 5274 1 6 . 1 1 74 74 LYS HA H 74 4.099 4.099 4.236 -0.137 18521 5275 1 6 . 1 1 74 74 LYS C C 74 177.606 177.606 178.354 -0.748 18521 5276 1 6 . 1 1 74 74 LYS CA C 74 57.527 57.527 57.848 -0.321 18521 5277 1 6 . 1 1 74 74 LYS CB C 74 32.115 32.115 32.852 -0.737 18521 5278 1 6 . 1 1 74 74 LYS H H 74 8.338 8.338 7.933 0.405 18521 5279 1 6 . 1 1 75 75 SER N N 75 116.404 116.404 116.775 -0.371 18521 5280 1 6 . 1 1 75 75 SER HA H 75 4.190 4.190 4.302 -0.112 18521 5281 1 6 . 1 1 75 75 SER C C 75 176.030 176.030 176.503 -0.473 18521 5282 1 6 . 1 1 75 75 SER CA C 75 60.560 60.560 61.163 -0.603 18521 5283 1 6 . 1 1 75 75 SER CB C 75 62.971 62.971 62.426 0.545 18521 5284 1 6 . 1 1 75 75 SER H H 75 8.409 8.409 8.387 0.022 18521 5285 1 6 . 1 1 76 76 LEU N N 76 123.753 123.753 123.692 0.061 18521 5286 1 6 . 1 1 76 76 LEU HA H 76 4.121 4.121 4.109 0.012 18521 5287 1 6 . 1 1 76 76 LEU C C 76 178.263 178.263 177.635 0.628 18521 5288 1 6 . 1 1 76 76 LEU CA C 76 56.665 56.665 57.430 -0.765 18521 5289 1 6 . 1 1 76 76 LEU CB C 76 41.538 41.538 41.608 -0.070 18521 5290 1 6 . 1 1 76 76 LEU H H 76 8.068 8.068 7.943 0.125 18521 5291 1 6 . 1 1 77 77 HIS N N 77 120.235 120.235 118.528 1.707 18521 5292 1 6 . 1 1 77 77 HIS HA H 77 4.372 4.372 4.172 0.200 18521 5293 1 6 . 1 1 77 77 HIS C C 77 177.974 177.974 177.429 0.545 18521 5294 1 6 . 1 1 77 77 HIS CA C 77 58.504 58.504 59.984 -1.480 18521 5295 1 6 . 1 1 77 77 HIS CB C 77 30.124 30.124 29.621 0.503 18521 5296 1 6 . 1 1 77 77 HIS H H 77 7.955 7.955 8.115 -0.160 18521 5297 1 6 . 1 1 78 78 VAL N N 78 121.721 121.721 120.343 1.378 18521 5298 1 6 . 1 1 78 78 VAL HA H 78 3.612 3.612 3.792 -0.180 18521 5299 1 6 . 1 1 78 78 VAL C C 78 177.688 177.688 178.031 -0.343 18521 5300 1 6 . 1 1 78 78 VAL CA C 78 65.817 65.817 65.839 -0.022 18521 5301 1 6 . 1 1 78 78 VAL CB C 78 31.729 31.729 31.817 -0.087 18521 5302 1 6 . 1 1 78 78 VAL H H 78 7.953 7.953 7.523 0.430 18521 5303 1 6 . 1 1 79 79 MET N N 79 119.138 119.138 118.756 0.382 18521 5304 1 6 . 1 1 79 79 MET HA H 79 3.879 3.879 4.011 -0.132 18521 5305 1 6 . 1 1 79 79 MET C C 79 180.609 180.609 177.972 2.637 18521 5306 1 6 . 1 1 79 79 MET CA C 79 59.210 59.210 59.206 0.004 18521 5307 1 6 . 1 1 79 79 MET CB C 79 34.157 34.157 32.448 1.709 18521 5308 1 6 . 1 1 79 79 MET H H 79 8.132 8.132 7.855 0.277 18521 5309 1 6 . 1 1 80 80 ASN N N 80 117.000 117.000 117.042 -0.042 18521 5310 1 6 . 1 1 80 80 ASN HA H 80 4.161 4.161 4.503 -0.342 18521 5311 1 6 . 1 1 80 80 ASN C C 80 178.212 178.212 177.161 1.051 18521 5312 1 6 . 1 1 80 80 ASN CA C 80 56.827 56.827 56.537 0.290 18521 5313 1 6 . 1 1 80 80 ASN CB C 80 38.920 38.920 37.643 1.277 18521 5314 1 6 . 1 1 80 80 ASN H H 80 8.195 8.195 8.352 -0.157 18521 5315 1 6 . 1 1 81 81 THR N N 81 116.021 116.021 116.918 -0.897 18521 5316 1 6 . 1 1 81 81 THR HA H 81 3.975 3.975 4.088 -0.113 18521 5317 1 6 . 1 1 81 81 THR C C 81 175.237 175.237 176.446 -1.209 18521 5318 1 6 . 1 1 81 81 THR CA C 81 66.507 66.507 66.587 -0.079 18521 5319 1 6 . 1 1 81 81 THR CB C 81 68.813 68.813 68.457 0.356 18521 5320 1 6 . 1 1 81 81 THR H H 81 7.952 7.952 7.956 -0.004 18521 5321 1 6 . 1 1 82 82 LEU N N 82 119.041 119.041 120.876 -1.835 18521 5322 1 6 . 1 1 82 82 LEU HA H 82 4.040 4.040 4.102 -0.062 18521 5323 1 6 . 1 1 82 82 LEU C C 82 177.541 177.541 179.242 -1.701 18521 5324 1 6 . 1 1 82 82 LEU CA C 82 56.468 56.468 58.103 -1.635 18521 5325 1 6 . 1 1 82 82 LEU CB C 82 42.247 42.247 41.488 0.759 18521 5326 1 6 . 1 1 82 82 LEU H H 82 7.655 7.655 7.723 -0.068 18521 5327 1 6 . 1 1 83 83 ILE N N 83 118.063 118.063 117.034 1.029 18521 5328 1 6 . 1 1 83 83 ILE HA H 83 3.805 3.805 3.950 -0.145 18521 5329 1 6 . 1 1 83 83 ILE C C 83 176.681 176.681 177.969 -1.288 18521 5330 1 6 . 1 1 83 83 ILE CA C 83 63.188 63.188 64.190 -1.002 18521 5331 1 6 . 1 1 83 83 ILE CB C 83 37.939 37.939 38.202 -0.263 18521 5332 1 6 . 1 1 83 83 ILE H H 83 7.455 7.455 7.277 0.178 18521 5333 1 6 . 1 1 84 84 HIS N N 84 116.118 116.118 115.715 0.403 18521 5334 1 6 . 1 1 84 84 HIS HA H 84 4.568 4.568 4.471 0.097 18521 5335 1 6 . 1 1 84 84 HIS C C 84 175.568 175.568 175.522 0.046 18521 5336 1 6 . 1 1 84 84 HIS CA C 84 58.425 58.425 58.983 -0.558 18521 5337 1 6 . 1 1 84 84 HIS CB C 84 31.801 31.801 30.858 0.944 18521 5338 1 6 . 1 1 84 84 HIS H H 84 7.168 7.168 8.644 -1.476 18521 5339 1 6 . 1 1 85 85 ASP N N 85 122.411 122.411 119.496 2.915 18521 5340 1 6 . 1 1 85 85 ASP HA H 85 4.546 4.546 4.775 -0.229 18521 5341 1 6 . 1 1 85 85 ASP C C 85 175.527 175.527 176.497 -0.970 18521 5342 1 6 . 1 1 85 85 ASP CA C 85 53.215 53.215 53.133 0.083 18521 5343 1 6 . 1 1 85 85 ASP CB C 85 40.936 40.936 40.823 0.113 18521 5344 1 6 . 1 1 85 85 ASP H H 85 8.576 8.576 8.104 0.472 18521 5345 1 6 . 1 1 86 86 GLN N N 86 122.561 122.561 126.740 -4.179 18521 5346 1 6 . 1 1 86 86 GLN HA H 86 4.077 4.077 4.193 -0.116 18521 5347 1 6 . 1 1 86 86 GLN C C 86 178.518 178.518 177.876 0.642 18521 5348 1 6 . 1 1 86 86 GLN CA C 86 57.816 57.816 58.622 -0.806 18521 5349 1 6 . 1 1 86 86 GLN CB C 86 29.165 29.165 28.875 0.290 18521 5350 1 6 . 1 1 86 86 GLN H H 86 8.715 8.715 8.551 0.164 18521 5351 1 6 . 1 1 87 87 GLU N N 87 121.616 121.616 120.329 1.287 18521 5352 1 6 . 1 1 87 87 GLU HA H 87 4.042 4.042 3.687 0.355 18521 5353 1 6 . 1 1 87 87 GLU C C 87 178.154 178.154 178.150 0.004 18521 5354 1 6 . 1 1 87 87 GLU CA C 87 59.051 59.051 59.686 -0.635 18521 5355 1 6 . 1 1 87 87 GLU CB C 87 29.231 29.231 29.115 0.116 18521 5356 1 6 . 1 1 87 87 GLU H H 87 8.073 8.073 7.908 0.165 18521 5357 1 6 . 1 1 88 88 LYS N N 88 119.006 119.006 119.134 -0.128 18521 5358 1 6 . 1 1 88 88 LYS HA H 88 3.754 3.754 4.071 -0.317 18521 5359 1 6 . 1 1 88 88 LYS C C 88 177.129 177.129 178.628 -1.499 18521 5360 1 6 . 1 1 88 88 LYS CA C 88 59.721 59.721 59.089 0.632 18521 5361 1 6 . 1 1 88 88 LYS CB C 88 32.253 32.253 32.265 -0.012 18521 5362 1 6 . 1 1 88 88 LYS H H 88 7.525 7.525 8.335 -0.810 18521 5363 1 6 . 1 1 89 89 ALA N N 89 121.945 121.945 121.704 0.241 18521 5364 1 6 . 1 1 89 89 ALA HA H 89 3.734 3.734 4.061 -0.327 18521 5365 1 6 . 1 1 89 89 ALA C C 89 177.545 177.545 178.975 -1.430 18521 5366 1 6 . 1 1 89 89 ALA CA C 89 55.977 55.977 55.165 0.812 18521 5367 1 6 . 1 1 89 89 ALA CB C 89 18.763 18.763 18.064 0.699 18521 5368 1 6 . 1 1 89 89 ALA H H 89 8.472 8.472 7.962 0.510 18521 5369 1 6 . 1 1 90 90 LYS N N 90 117.743 117.743 118.914 -1.171 18521 5370 1 6 . 1 1 90 90 LYS HA H 90 4.015 4.015 2.621 1.394 18521 5371 1 6 . 1 1 90 90 LYS C C 90 177.667 177.667 178.448 -0.781 18521 5372 1 6 . 1 1 90 90 LYS CA C 90 58.703 58.703 58.707 -0.004 18521 5373 1 6 . 1 1 90 90 LYS CB C 90 32.779 32.779 31.446 1.333 18521 5374 1 6 . 1 1 90 90 LYS H H 90 6.684 6.684 7.702 -1.018 18521 5375 1 6 . 1 1 91 91 ILE N N 91 117.216 117.216 118.440 -1.224 18521 5376 1 6 . 1 1 91 91 ILE HA H 91 3.414 3.414 3.638 -0.224 18521 5377 1 6 . 1 1 91 91 ILE C C 91 178.422 178.422 177.875 0.547 18521 5378 1 6 . 1 1 91 91 ILE CA C 91 64.094 64.094 65.184 -1.091 18521 5379 1 6 . 1 1 91 91 ILE CB C 91 37.481 37.481 37.803 -0.322 18521 5380 1 6 . 1 1 91 91 ILE H H 91 7.196 7.196 7.234 -0.038 18521 5381 1 6 . 1 1 92 92 TYR N N 92 122.201 122.201 120.839 1.362 18521 5382 1 6 . 1 1 92 92 TYR HA H 92 4.047 4.047 4.066 -0.019 18521 5383 1 6 . 1 1 92 92 TYR C C 92 177.726 177.726 177.454 0.272 18521 5384 1 6 . 1 1 92 92 TYR CA C 92 61.771 61.771 61.623 0.147 18521 5385 1 6 . 1 1 92 92 TYR CB C 92 39.295 39.295 38.414 0.881 18521 5386 1 6 . 1 1 92 92 TYR H H 92 8.466 8.466 7.543 0.923 18521 5387 1 6 . 1 1 93 93 MET N N 93 117.420 117.420 119.586 -2.166 18521 5388 1 6 . 1 1 93 93 MET HA H 93 3.896 3.896 3.952 -0.056 18521 5389 1 6 . 1 1 93 93 MET C C 93 180.221 180.221 177.809 2.412 18521 5390 1 6 . 1 1 93 93 MET CA C 93 57.586 57.586 58.142 -0.556 18521 5391 1 6 . 1 1 93 93 MET CB C 93 30.854 30.854 32.227 -1.373 18521 5392 1 6 . 1 1 93 93 MET H H 93 8.269 8.269 8.597 -0.328 18521 5393 1 6 . 1 1 94 94 LEU N N 94 125.183 125.183 120.555 4.628 18521 5394 1 6 . 1 1 94 94 LEU HA H 94 3.826 3.826 3.894 -0.068 18521 5395 1 6 . 1 1 94 94 LEU C C 94 177.787 177.787 178.236 -0.449 18521 5396 1 6 . 1 1 94 94 LEU CA C 94 58.729 58.729 58.629 0.100 18521 5397 1 6 . 1 1 94 94 LEU CB C 94 42.188 42.188 41.503 0.685 18521 5398 1 6 . 1 1 94 94 LEU H H 94 8.733 8.733 8.163 0.570 18521 5399 1 6 . 1 1 95 95 ASN N N 95 121.517 121.517 118.496 3.021 18521 5400 1 6 . 1 1 95 95 ASN HA H 95 4.184 4.184 4.340 -0.156 18521 5401 1 6 . 1 1 95 95 ASN C C 95 178.481 178.481 177.845 0.636 18521 5402 1 6 . 1 1 95 95 ASN CA C 95 56.312 56.312 56.040 0.272 18521 5403 1 6 . 1 1 95 95 ASN H H 95 8.951 8.951 8.073 0.878 18521 5404 1 6 . 1 1 96 96 PHE N N 96 122.778 122.778 121.846 0.932 18521 5405 1 6 . 1 1 96 96 PHE HA H 96 4.341 4.341 4.136 0.205 18521 5406 1 6 . 1 1 96 96 PHE C C 96 177.925 177.925 176.850 1.075 18521 5407 1 6 . 1 1 96 96 PHE CA C 96 62.427 62.427 61.883 0.544 18521 5408 1 6 . 1 1 96 96 PHE H H 96 8.454 8.454 8.400 0.054 18521 5409 1 6 . 1 1 97 97 THR N N 97 117.115 117.115 116.704 0.411 18521 5410 1 6 . 1 1 97 97 THR HA H 97 3.369 3.369 3.784 -0.415 18521 5411 1 6 . 1 1 97 97 THR C C 97 176.185 176.185 176.902 -0.717 18521 5412 1 6 . 1 1 97 97 THR CA C 97 68.090 68.090 67.004 1.086 18521 5413 1 6 . 1 1 97 97 THR CB C 97 68.087 68.087 68.362 -0.275 18521 5414 1 6 . 1 1 97 97 THR H H 97 8.209 8.209 8.641 -0.432 18521 5415 1 6 . 1 1 98 98 MET N N 98 119.373 119.373 120.486 -1.113 18521 5416 1 6 . 1 1 98 98 MET HA H 98 4.360 4.360 4.408 -0.048 18521 5417 1 6 . 1 1 98 98 MET C C 98 177.887 177.887 178.689 -0.802 18521 5418 1 6 . 1 1 98 98 MET CA C 98 58.143 58.143 58.029 0.114 18521 5419 1 6 . 1 1 98 98 MET CB C 98 31.948 31.948 31.545 0.403 18521 5420 1 6 . 1 1 98 98 MET H H 98 8.958 8.958 8.802 0.156 18521 5421 1 6 . 1 1 99 99 SER N N 99 114.517 114.517 116.627 -2.110 18521 5422 1 6 . 1 1 99 99 SER HA H 99 4.043 4.043 4.074 -0.031 18521 5423 1 6 . 1 1 99 99 SER C C 99 176.195 176.195 176.686 -0.491 18521 5424 1 6 . 1 1 99 99 SER CA C 99 62.481 62.481 61.203 1.278 18521 5425 1 6 . 1 1 99 99 SER CB C 99 62.692 62.692 62.962 -0.271 18521 5426 1 6 . 1 1 99 99 SER H H 99 7.708 7.708 8.095 -0.387 18521 5427 1 6 . 1 1 100 100 LEU N N 100 125.126 125.126 122.985 2.141 18521 5428 1 6 . 1 1 100 100 LEU HA H 100 3.913 3.913 3.961 -0.048 18521 5429 1 6 . 1 1 100 100 LEU C C 100 177.327 177.327 177.786 -0.459 18521 5430 1 6 . 1 1 100 100 LEU CA C 100 58.005 58.005 57.165 0.840 18521 5431 1 6 . 1 1 100 100 LEU CB C 100 41.841 41.841 41.596 0.245 18521 5432 1 6 . 1 1 100 100 LEU H H 100 7.277 7.277 7.757 -0.480 18521 5433 1 6 . 1 1 101 101 TYR N N 101 120.940 120.940 119.606 1.334 18521 5434 1 6 . 1 1 101 101 TYR HA H 101 4.143 4.143 4.149 -0.006 18521 5435 1 6 . 1 1 101 101 TYR C C 101 176.784 176.784 177.228 -0.444 18521 5436 1 6 . 1 1 101 101 TYR CA C 101 61.543 61.543 60.540 1.003 18521 5437 1 6 . 1 1 101 101 TYR CB C 101 40.909 40.909 38.189 2.720 18521 5438 1 6 . 1 1 101 101 TYR H H 101 8.858 8.858 8.716 0.142 18521 5439 1 6 . 1 1 102 102 ASN N N 102 119.067 119.067 117.256 1.811 18521 5440 1 6 . 1 1 102 102 ASN HA H 102 4.116 4.116 4.087 0.029 18521 5441 1 6 . 1 1 102 102 ASN C C 102 178.713 178.713 177.365 1.348 18521 5442 1 6 . 1 1 102 102 ASN CA C 102 55.734 55.734 55.923 -0.189 18521 5443 1 6 . 1 1 102 102 ASN H H 102 8.700 8.700 8.601 0.099 18521 5444 1 6 . 1 1 103 103 GLU N N 103 119.558 119.558 119.698 -0.140 18521 5445 1 6 . 1 1 103 103 GLU HA H 103 3.944 3.944 3.888 0.056 18521 5446 1 6 . 1 1 103 103 GLU C C 103 179.012 179.012 178.918 0.094 18521 5447 1 6 . 1 1 103 103 GLU CA C 103 59.506 59.506 59.557 -0.051 18521 5448 1 6 . 1 1 103 103 GLU CB C 103 29.349 29.349 29.419 -0.070 18521 5449 1 6 . 1 1 103 103 GLU H H 103 7.599 7.599 7.686 -0.087 18521 5450 1 6 . 1 1 104 104 LYS N N 104 120.218 120.218 118.833 1.385 18521 5451 1 6 . 1 1 104 104 LYS HA H 104 4.051 4.051 4.060 -0.009 18521 5452 1 6 . 1 1 104 104 LYS C C 104 178.477 178.477 178.875 -0.398 18521 5453 1 6 . 1 1 104 104 LYS CA C 104 56.534 56.534 58.351 -1.817 18521 5454 1 6 . 1 1 104 104 LYS CB C 104 29.108 29.108 32.121 -3.013 18521 5455 1 6 . 1 1 104 104 LYS H H 104 8.311 8.311 7.429 0.882 18521 5456 1 6 . 1 1 105 105 LEU N N 105 122.110 122.110 119.800 2.310 18521 5457 1 6 . 1 1 105 105 LEU HA H 105 3.774 3.774 3.907 -0.133 18521 5458 1 6 . 1 1 105 105 LEU C C 105 180.224 180.224 178.752 1.472 18521 5459 1 6 . 1 1 105 105 LEU CA C 105 58.148 58.148 57.407 0.741 18521 5460 1 6 . 1 1 105 105 LEU CB C 105 42.394 42.394 41.166 1.228 18521 5461 1 6 . 1 1 105 105 LEU H H 105 8.604 8.604 7.781 0.823 18521 5462 1 6 . 1 1 106 106 LYS N N 106 119.031 119.031 119.472 -0.441 18521 5463 1 6 . 1 1 106 106 LYS HA H 106 4.035 4.035 3.738 0.297 18521 5464 1 6 . 1 1 106 106 LYS C C 106 178.496 178.496 178.957 -0.461 18521 5465 1 6 . 1 1 106 106 LYS CA C 106 59.820 59.820 59.676 0.144 18521 5466 1 6 . 1 1 106 106 LYS CB C 106 31.956 31.956 32.263 -0.307 18521 5467 1 6 . 1 1 106 106 LYS H H 106 7.339 7.339 8.081 -0.742 18521 5468 1 6 . 1 1 107 107 GLN N N 107 121.417 121.417 117.664 3.753 18521 5469 1 6 . 1 1 107 107 GLN HA H 107 3.744 3.744 3.781 -0.037 18521 5470 1 6 . 1 1 107 107 GLN C C 107 178.103 178.103 178.842 -0.739 18521 5471 1 6 . 1 1 107 107 GLN CA C 107 58.582 58.582 58.232 0.350 18521 5472 1 6 . 1 1 107 107 GLN CB C 107 26.969 26.969 28.388 -1.419 18521 5473 1 6 . 1 1 107 107 GLN H H 107 7.590 7.590 7.469 0.121 18521 5474 1 6 . 1 1 108 108 LEU N N 108 120.629 120.629 119.186 1.443 18521 5475 1 6 . 1 1 108 108 LEU HA H 108 3.806 3.806 4.469 -0.663 18521 5476 1 6 . 1 1 108 108 LEU C C 108 178.978 178.978 178.189 0.789 18521 5477 1 6 . 1 1 108 108 LEU CA C 108 58.306 58.306 57.528 0.778 18521 5478 1 6 . 1 1 108 108 LEU CB C 108 42.112 42.112 41.867 0.245 18521 5479 1 6 . 1 1 108 108 LEU H H 108 8.450 8.450 7.557 0.893 18521 5480 1 6 . 1 1 109 109 LYS N N 109 119.584 119.584 117.383 2.201 18521 5481 1 6 . 1 1 109 109 LYS HA H 109 4.166 4.166 4.074 0.092 18521 5482 1 6 . 1 1 109 109 LYS C C 109 177.859 177.859 177.073 0.786 18521 5483 1 6 . 1 1 109 109 LYS CA C 109 58.746 58.746 58.690 0.056 18521 5484 1 6 . 1 1 109 109 LYS CB C 109 32.637 32.637 32.744 -0.107 18521 5485 1 6 . 1 1 109 109 LYS H H 109 7.295 7.295 7.645 -0.350 18521 5486 1 6 . 1 1 110 110 ASP N N 110 116.950 116.950 113.235 3.715 18521 5487 1 6 . 1 1 110 110 ASP HA H 110 4.604 4.604 4.960 -0.356 18521 5488 1 6 . 1 1 110 110 ASP C C 110 177.157 177.157 174.931 2.226 18521 5489 1 6 . 1 1 110 110 ASP CA C 110 55.768 55.768 54.393 1.375 18521 5490 1 6 . 1 1 110 110 ASP CB C 110 42.724 42.724 43.215 -0.491 18521 5491 1 6 . 1 1 110 110 ASP H H 110 7.807 7.807 7.688 0.119 18521 5492 1 6 . 1 1 111 111 GLY N N 111 114.046 114.046 110.185 3.861 18521 5493 1 6 . 1 1 111 111 GLY CA C 111 41.845 41.845 44.268 -2.423 18521 5494 1 6 . 1 1 111 111 GLY H H 111 8.554 8.554 7.351 1.203 18521 5495 1 6 . 1 1 112 112 PRO HA H 112 4.552 4.552 4.142 0.410 18521 5496 1 6 . 1 1 112 112 PRO C C 112 174.967 174.967 175.813 -0.846 18521 5497 1 6 . 1 1 112 112 PRO CA C 112 61.222 61.222 62.874 -1.652 18521 5498 1 6 . 1 1 112 112 PRO CB C 112 35.056 35.056 32.298 2.758 18521 5499 1 6 . 1 1 113 113 TRP N N 113 123.139 123.139 123.271 -0.132 18521 5500 1 6 . 1 1 113 113 TRP HA H 113 4.650 4.650 4.886 -0.236 18521 5501 1 6 . 1 1 113 113 TRP C C 113 174.604 174.604 175.339 -0.735 18521 5502 1 6 . 1 1 113 113 TRP CA C 113 58.154 58.154 56.567 1.587 18521 5503 1 6 . 1 1 113 113 TRP CB C 113 27.048 27.048 31.492 -4.444 18521 5504 1 6 . 1 1 113 113 TRP H H 113 8.671 8.671 8.560 0.111 18521 5505 1 6 . 1 1 114 114 ASP N N 114 121.440 121.440 118.252 3.188 18521 5506 1 6 . 1 1 114 114 ASP HA H 114 4.930 4.930 4.775 0.155 18521 5507 1 6 . 1 1 114 114 ASP C C 114 176.979 176.979 176.200 0.779 18521 5508 1 6 . 1 1 114 114 ASP CA C 114 52.223 52.223 52.860 -0.637 18521 5509 1 6 . 1 1 114 114 ASP CB C 114 43.192 43.192 42.015 1.177 18521 5510 1 6 . 1 1 114 114 ASP H H 114 6.950 6.950 8.058 -1.108 18521 5511 1 6 . 1 1 115 115 VAL N N 115 118.386 118.386 119.887 -1.501 18521 5512 1 6 . 1 1 115 115 VAL HA H 115 3.825 3.825 3.682 0.143 18521 5513 1 6 . 1 1 115 115 VAL C C 115 177.760 177.760 178.027 -0.267 18521 5514 1 6 . 1 1 115 115 VAL CA C 115 65.611 65.611 66.185 -0.574 18521 5515 1 6 . 1 1 115 115 VAL CB C 115 31.657 31.657 32.054 -0.397 18521 5516 1 6 . 1 1 115 115 VAL H H 115 8.181 8.181 8.340 -0.159 18521 5517 1 6 . 1 1 116 116 MET N N 116 120.354 120.354 118.384 1.970 18521 5518 1 6 . 1 1 116 116 MET HA H 116 4.284 4.284 4.147 0.137 18521 5519 1 6 . 1 1 116 116 MET C C 116 179.336 179.336 178.565 0.771 18521 5520 1 6 . 1 1 116 116 MET CA C 116 57.392 57.392 59.206 -1.815 18521 5521 1 6 . 1 1 116 116 MET CB C 116 30.450 30.450 32.077 -1.627 18521 5522 1 6 . 1 1 116 116 MET H H 116 7.661 7.661 8.001 -0.340 18521 5523 1 6 . 1 1 117 117 LEU N N 117 125.774 125.774 121.252 4.522 18521 5524 1 6 . 1 1 117 117 LEU HA H 117 4.129 4.129 3.965 0.164 18521 5525 1 6 . 1 1 117 117 LEU C C 117 178.399 178.399 178.039 0.360 18521 5526 1 6 . 1 1 117 117 LEU CA C 117 58.353 58.353 58.808 -0.455 18521 5527 1 6 . 1 1 117 117 LEU CB C 117 40.392 40.392 41.644 -1.252 18521 5528 1 6 . 1 1 117 117 LEU H H 117 8.179 8.179 9.288 -1.109 18521 5529 1 6 . 1 1 118 118 LYS N N 118 118.471 118.471 119.443 -0.972 18521 5530 1 6 . 1 1 118 118 LYS HA H 118 3.824 3.824 3.948 -0.124 18521 5531 1 6 . 1 1 118 118 LYS C C 118 178.259 178.259 179.080 -0.821 18521 5532 1 6 . 1 1 118 118 LYS CA C 118 60.497 60.497 60.219 0.278 18521 5533 1 6 . 1 1 118 118 LYS CB C 118 32.355 32.355 32.530 -0.175 18521 5534 1 6 . 1 1 118 118 LYS H H 118 7.359 7.359 7.777 -0.418 18521 5535 1 6 . 1 1 119 119 ARG N N 119 117.838 117.838 118.906 -1.068 18521 5536 1 6 . 1 1 119 119 ARG HA H 119 4.158 4.158 4.310 -0.152 18521 5537 1 6 . 1 1 119 119 ARG C C 119 180.132 180.132 179.226 0.906 18521 5538 1 6 . 1 1 119 119 ARG CA C 119 59.535 59.535 59.456 0.079 18521 5539 1 6 . 1 1 119 119 ARG CB C 119 29.994 29.994 30.424 -0.430 18521 5540 1 6 . 1 1 119 119 ARG H H 119 8.316 8.316 8.617 -0.301 18521 5541 1 6 . 1 1 120 120 SER N N 120 117.258 117.258 116.798 0.460 18521 5542 1 6 . 1 1 120 120 SER HA H 120 4.374 4.374 4.264 0.110 18521 5543 1 6 . 1 1 120 120 SER C C 120 176.034 176.034 176.757 -0.723 18521 5544 1 6 . 1 1 120 120 SER CA C 120 62.728 62.728 62.405 0.323 18521 5545 1 6 . 1 1 120 120 SER CB C 120 63.050 63.050 63.077 -0.027 18521 5546 1 6 . 1 1 120 120 SER H H 120 8.598 8.598 8.763 -0.165 18521 5547 1 6 . 1 1 121 121 LEU N N 121 125.307 125.307 122.178 3.129 18521 5548 1 6 . 1 1 121 121 LEU HA H 121 4.192 4.192 4.159 0.033 18521 5549 1 6 . 1 1 121 121 LEU C C 121 179.621 179.621 178.792 0.829 18521 5550 1 6 . 1 1 121 121 LEU CA C 121 58.894 58.894 57.998 0.896 18521 5551 1 6 . 1 1 121 121 LEU CB C 121 41.188 41.188 41.717 -0.529 18521 5552 1 6 . 1 1 121 121 LEU H H 121 8.250 8.250 8.302 -0.052 18521 5553 1 6 . 1 1 122 122 TRP N N 122 120.444 120.444 119.433 1.011 18521 5554 1 6 . 1 1 122 122 TRP HA H 122 4.368 4.368 4.342 0.026 18521 5555 1 6 . 1 1 122 122 TRP C C 122 176.943 176.943 178.629 -1.686 18521 5556 1 6 . 1 1 122 122 TRP CA C 122 61.452 61.452 61.713 -0.261 18521 5557 1 6 . 1 1 122 122 TRP CB C 122 29.823 29.823 29.085 0.738 18521 5558 1 6 . 1 1 122 122 TRP H H 122 7.873 7.873 7.712 0.161 18521 5559 1 6 . 1 1 123 123 CYS N N 123 120.188 120.188 119.615 0.573 18521 5560 1 6 . 1 1 123 123 CYS HA H 123 4.264 4.264 4.147 0.117 18521 5561 1 6 . 1 1 123 123 CYS C C 123 176.875 176.875 176.946 -0.071 18521 5562 1 6 . 1 1 123 123 CYS CA C 123 60.573 60.573 63.324 -2.751 18521 5563 1 6 . 1 1 123 123 CYS CB C 123 25.642 25.642 27.494 -1.852 18521 5564 1 6 . 1 1 123 123 CYS H H 123 8.271 8.271 7.888 0.383 18521 5565 1 6 . 1 1 124 124 CYS N N 124 116.760 116.760 119.197 -2.437 18521 5566 1 6 . 1 1 124 124 CYS HA H 124 3.880 3.880 4.008 -0.128 18521 5567 1 6 . 1 1 124 124 CYS C C 124 175.810 175.810 176.717 -0.907 18521 5568 1 6 . 1 1 124 124 CYS CA C 124 65.646 65.646 64.791 0.855 18521 5569 1 6 . 1 1 124 124 CYS CB C 124 28.069 28.069 27.812 0.257 18521 5570 1 6 . 1 1 124 124 CYS H H 124 8.208 8.208 7.878 0.330 18521 5571 1 6 . 1 1 125 125 ILE N N 125 121.167 121.167 121.381 -0.214 18521 5572 1 6 . 1 1 125 125 ILE HA H 125 3.580 3.580 3.778 -0.198 18521 5573 1 6 . 1 1 125 125 ILE C C 125 179.302 179.302 177.614 1.688 18521 5574 1 6 . 1 1 125 125 ILE CA C 125 67.663 67.663 65.898 1.765 18521 5575 1 6 . 1 1 125 125 ILE CB C 125 37.988 37.988 37.517 0.470 18521 5576 1 6 . 1 1 125 125 ILE H H 125 8.073 8.073 8.079 -0.006 18521 5577 1 6 . 1 1 126 126 ASP N N 126 124.812 124.812 120.249 4.563 18521 5578 1 6 . 1 1 126 126 ASP HA H 126 4.622 4.622 4.523 0.099 18521 5579 1 6 . 1 1 126 126 ASP C C 126 178.091 178.091 179.048 -0.957 18521 5580 1 6 . 1 1 126 126 ASP CA C 126 58.885 58.885 57.540 1.345 18521 5581 1 6 . 1 1 126 126 ASP CB C 126 40.408 40.408 40.376 0.032 18521 5582 1 6 . 1 1 126 126 ASP H H 126 8.778 8.778 7.828 0.950 18521 5583 1 6 . 1 1 127 127 LEU N N 127 122.531 122.531 119.971 2.560 18521 5584 1 6 . 1 1 127 127 LEU HA H 127 3.841 3.841 3.835 0.006 18521 5585 1 6 . 1 1 127 127 LEU C C 127 179.582 179.582 178.951 0.631 18521 5586 1 6 . 1 1 127 127 LEU CA C 127 58.632 58.632 57.821 0.811 18521 5587 1 6 . 1 1 127 127 LEU CB C 127 42.680 42.680 41.622 1.058 18521 5588 1 6 . 1 1 127 127 LEU H H 127 8.888 8.888 7.346 1.542 18521 5589 1 6 . 1 1 128 128 ILE N N 128 121.311 121.311 118.966 2.345 18521 5590 1 6 . 1 1 128 128 ILE HA H 128 3.938 3.938 3.696 0.242 18521 5591 1 6 . 1 1 128 128 ILE C C 128 176.725 176.725 178.412 -1.687 18521 5592 1 6 . 1 1 128 128 ILE CA C 128 60.922 60.922 65.014 -4.092 18521 5593 1 6 . 1 1 128 128 ILE CB C 128 38.971 38.971 37.184 1.787 18521 5594 1 6 . 1 1 128 128 ILE H H 128 7.469 7.469 7.739 -0.270 18521 5595 1 6 . 1 1 129 129 ASN N N 129 122.727 122.727 118.035 4.692 18521 5596 1 6 . 1 1 129 129 ASN HA H 129 4.582 4.582 4.388 0.194 18521 5597 1 6 . 1 1 129 129 ASN C C 129 177.132 177.132 177.023 0.109 18521 5598 1 6 . 1 1 129 129 ASN CA C 129 52.982 52.982 56.970 -3.988 18521 5599 1 6 . 1 1 129 129 ASN CB C 129 38.792 38.792 38.369 0.423 18521 5600 1 6 . 1 1 129 129 ASN H H 129 8.173 8.173 8.159 0.014 18521 5601 1 6 . 1 1 130 130 ILE N N 130 120.527 120.527 121.088 -0.561 18521 5602 1 6 . 1 1 130 130 ILE HA H 130 4.305 4.305 2.265 2.040 18521 5603 1 6 . 1 1 130 130 ILE C C 130 175.796 175.796 177.191 -1.395 18521 5604 1 6 . 1 1 130 130 ILE CA C 130 61.246 61.246 64.004 -2.759 18521 5605 1 6 . 1 1 130 130 ILE CB C 130 38.797 38.797 37.291 1.506 18521 5606 1 6 . 1 1 130 130 ILE H H 130 8.096 8.096 7.407 0.689 18521 5607 1 6 . 1 1 131 131 ASP N N 131 122.165 122.165 121.496 0.669 18521 5608 1 6 . 1 1 131 131 ASP HA H 131 4.416 4.416 3.979 0.437 18521 5609 1 6 . 1 1 131 131 ASP C C 131 176.750 176.750 178.294 -1.544 18521 5610 1 6 . 1 1 131 131 ASP CA C 131 55.955 55.955 58.038 -2.083 18521 5611 1 6 . 1 1 131 131 ASP CB C 131 41.117 41.117 40.694 0.423 18521 5612 1 6 . 1 1 131 131 ASP H H 131 8.157 8.157 7.672 0.485 18521 5613 1 6 . 1 1 132 132 LYS N N 132 119.537 119.537 117.920 1.617 18521 5614 1 6 . 1 1 132 132 LYS HA H 132 4.373 4.373 3.959 0.414 18521 5615 1 6 . 1 1 132 132 LYS C C 132 176.405 176.405 178.161 -1.756 18521 5616 1 6 . 1 1 132 132 LYS CA C 132 55.699 55.699 59.181 -3.482 18521 5617 1 6 . 1 1 132 132 LYS CB C 132 32.822 32.822 32.221 0.601 18521 5618 1 6 . 1 1 132 132 LYS H H 132 8.023 8.023 7.582 0.441 18521 5619 1 6 . 1 1 133 133 LEU N N 133 120.242 120.242 119.909 0.333 18521 5620 1 6 . 1 1 133 133 LEU HA H 133 4.158 4.158 4.275 -0.117 18521 5621 1 6 . 1 1 133 133 LEU C C 133 178.449 178.449 179.773 -1.324 18521 5622 1 6 . 1 1 133 133 LEU CA C 133 57.538 57.538 58.012 -0.474 18521 5623 1 6 . 1 1 133 133 LEU CB C 133 41.572 41.572 42.807 -1.235 18521 5624 1 6 . 1 1 133 133 LEU H H 133 8.024 8.024 7.743 0.281 18521 5625 1 6 . 1 1 134 134 GLN N N 134 117.985 117.985 117.744 0.241 18521 5626 1 6 . 1 1 134 134 GLN HA H 134 4.018 4.018 3.852 0.166 18521 5627 1 6 . 1 1 134 134 GLN C C 134 179.500 179.500 176.935 2.565 18521 5628 1 6 . 1 1 134 134 GLN CA C 134 58.175 58.175 57.868 0.306 18521 5629 1 6 . 1 1 134 134 GLN CB C 134 29.102 29.102 28.275 0.827 18521 5630 1 6 . 1 1 134 134 GLN H H 134 8.536 8.536 8.222 0.314 18521 5631 1 6 . 1 1 135 135 TRP N N 135 115.550 115.550 115.890 -0.340 18521 5632 1 6 . 1 1 135 135 TRP HA H 135 4.991 4.991 4.924 0.067 18521 5633 1 6 . 1 1 135 135 TRP C C 135 175.170 175.170 175.326 -0.156 18521 5634 1 6 . 1 1 135 135 TRP CA C 135 59.426 59.426 55.961 3.465 18521 5635 1 6 . 1 1 135 135 TRP CB C 135 26.894 26.894 28.214 -1.320 18521 5636 1 6 . 1 1 135 135 TRP H H 135 7.727 7.727 7.335 0.392 18521 5637 1 6 . 1 1 136 136 LYS N N 136 119.841 119.841 120.569 -0.728 18521 5638 1 6 . 1 1 136 136 LYS HA H 136 3.830 3.830 4.022 -0.192 18521 5639 1 6 . 1 1 136 136 LYS C C 136 178.330 178.330 178.738 -0.408 18521 5640 1 6 . 1 1 136 136 LYS CA C 136 60.194 60.194 60.346 -0.152 18521 5641 1 6 . 1 1 136 136 LYS CB C 136 32.902 32.902 32.388 0.514 18521 5642 1 6 . 1 1 136 136 LYS H H 136 6.580 6.580 7.813 -1.233 18521 5643 1 6 . 1 1 137 137 GLU N N 137 115.250 115.250 116.747 -1.497 18521 5644 1 6 . 1 1 137 137 GLU HA H 137 4.177 4.177 4.127 0.050 18521 5645 1 6 . 1 1 137 137 GLU C C 137 176.698 176.698 177.032 -0.334 18521 5646 1 6 . 1 1 137 137 GLU CA C 137 57.766 57.766 58.569 -0.803 18521 5647 1 6 . 1 1 137 137 GLU CB C 137 29.221 29.221 29.463 -0.242 18521 5648 1 6 . 1 1 137 137 GLU H H 137 8.549 8.549 8.724 -0.175 18521 5649 1 6 . 1 1 138 138 ASN N N 138 116.578 116.578 115.613 0.965 18521 5650 1 6 . 1 1 138 138 ASN HA H 138 4.943 4.943 4.763 0.180 18521 5651 1 6 . 1 1 138 138 ASN C C 138 173.448 173.448 174.541 -1.093 18521 5652 1 6 . 1 1 138 138 ASN CA C 138 52.681 52.681 53.301 -0.620 18521 5653 1 6 . 1 1 138 138 ASN CB C 138 40.833 40.833 39.426 1.407 18521 5654 1 6 . 1 1 138 138 ASN H H 138 8.337 8.337 7.678 0.659 18521 5655 1 6 . 1 1 139 139 ILE N N 139 120.835 120.835 119.889 0.946 18521 5656 1 6 . 1 1 139 139 ILE HA H 139 4.339 4.339 4.328 0.011 18521 5657 1 6 . 1 1 139 139 ILE C C 139 175.219 175.219 175.262 -0.043 18521 5658 1 6 . 1 1 139 139 ILE CA C 139 60.867 60.867 60.623 0.244 18521 5659 1 6 . 1 1 139 139 ILE CB C 139 40.270 40.270 40.059 0.210 18521 5660 1 6 . 1 1 139 139 ILE H H 139 7.138 7.138 7.282 -0.144 18521 5661 1 6 . 1 1 140 140 MET N N 140 123.319 123.319 121.895 1.424 18521 5662 1 6 . 1 1 140 140 MET HA H 140 4.324 4.324 4.532 -0.208 18521 5663 1 6 . 1 1 140 140 MET C C 140 177.931 177.931 177.072 0.859 18521 5664 1 6 . 1 1 140 140 MET CA C 140 58.511 58.511 55.452 3.059 18521 5665 1 6 . 1 1 140 140 MET CB C 140 65.156 65.156 64.409 0.747 18521 5666 1 6 . 1 1 140 140 MET H H 140 8.714 8.714 8.628 0.086 18521 5667 1 6 . 1 1 141 141 LEU N N 141 120.610 120.610 123.925 -3.315 18521 5668 1 6 . 1 1 141 141 LEU HA H 141 4.047 4.047 4.066 -0.019 18521 5669 1 6 . 1 1 141 141 LEU C C 141 177.281 177.281 178.865 -1.584 18521 5670 1 6 . 1 1 141 141 LEU CA C 141 58.362 58.362 58.463 -0.101 18521 5671 1 6 . 1 1 141 141 LEU H H 141 8.333 8.333 8.980 -0.647 18521 5672 1 6 . 1 1 142 142 ASP N N 142 121.268 121.268 120.899 0.369 18521 5673 1 6 . 1 1 142 142 ASP HA H 142 4.415 4.415 4.577 -0.162 18521 5674 1 6 . 1 1 142 142 ASP C C 142 175.916 175.916 178.424 -2.508 18521 5675 1 6 . 1 1 142 142 ASP CA C 142 54.678 54.678 57.807 -3.130 18521 5676 1 6 . 1 1 142 142 ASP CB C 142 68.329 68.329 68.573 -0.244 18521 5677 1 6 . 1 1 142 142 ASP H H 142 8.199 8.199 8.263 -0.064 18521 5678 1 6 . 1 1 143 143 LEU N N 143 120.218 120.218 121.798 -1.580 18521 5679 1 6 . 1 1 143 143 LEU HA H 143 4.108 4.108 4.077 0.031 18521 5680 1 6 . 1 1 143 143 LEU C C 143 176.205 176.205 178.947 -2.742 18521 5681 1 6 . 1 1 143 143 LEU CA C 143 57.314 57.314 57.859 -0.545 18521 5682 1 6 . 1 1 143 143 LEU CB C 143 39.700 39.700 41.788 -2.088 18521 5683 1 6 . 1 1 143 143 LEU H H 143 7.858 7.858 8.046 -0.188 18521 5684 1 6 . 1 1 144 144 ILE N N 144 121.582 121.582 124.977 -3.395 18521 5685 1 6 . 1 1 144 144 ILE HA H 144 4.083 4.083 3.733 0.350 18521 5686 1 6 . 1 1 144 144 ILE C C 144 177.130 177.130 177.785 -0.655 18521 5687 1 6 . 1 1 144 144 ILE CA C 144 60.697 60.697 66.702 -6.005 18521 5688 1 6 . 1 1 144 144 ILE CB C 144 38.565 38.565 37.791 0.774 18521 5689 1 6 . 1 1 144 144 ILE H H 144 7.948 7.948 8.126 -0.178 18521 5690 1 6 . 1 1 145 145 GLU N N 145 120.974 120.974 121.482 -0.508 18521 5691 1 6 . 1 1 145 145 GLU HA H 145 4.049 4.049 4.210 -0.161 18521 5692 1 6 . 1 1 145 145 GLU C C 145 179.664 179.664 178.633 1.031 18521 5693 1 6 . 1 1 145 145 GLU CA C 145 59.673 59.673 59.737 -0.064 18521 5694 1 6 . 1 1 145 145 GLU CB C 145 29.521 29.521 29.649 -0.128 18521 5695 1 6 . 1 1 145 145 GLU H H 145 7.869 7.869 7.992 -0.123 18521 5696 1 6 . 1 1 146 146 GLN N N 146 118.520 118.520 120.639 -2.119 18521 5697 1 6 . 1 1 146 146 GLN HA H 146 4.034 4.034 4.000 0.034 18521 5698 1 6 . 1 1 146 146 GLN C C 146 178.820 178.820 177.400 1.420 18521 5699 1 6 . 1 1 146 146 GLN CA C 146 58.720 58.720 59.725 -1.005 18521 5700 1 6 . 1 1 146 146 GLN CB C 146 29.312 29.312 28.388 0.924 18521 5701 1 6 . 1 1 146 146 GLN H H 146 8.407 8.407 7.464 0.943 18521 5702 1 6 . 1 1 147 147 GLY N N 147 108.998 108.998 109.695 -0.697 18521 5703 1 6 . 1 1 147 147 GLY HA H 147 3.471 3.471 3.763 -0.292 18521 5704 1 6 . 1 1 147 147 GLY C C 147 175.794 175.794 176.459 -0.665 18521 5705 1 6 . 1 1 147 147 GLY CA C 147 47.525 47.525 48.155 -0.630 18521 5706 1 6 . 1 1 147 147 GLY CB C 147 41.801 41.801 41.499 0.302 18521 5707 1 6 . 1 1 147 147 GLY H H 147 8.059 8.059 7.536 0.523 18521 5708 1 6 . 1 1 148 148 ASP N N 148 124.022 124.022 118.751 5.271 18521 5709 1 6 . 1 1 148 148 ASP HA H 148 4.342 4.342 4.140 0.202 18521 5710 1 6 . 1 1 148 148 ASP C C 148 175.607 175.607 178.537 -2.930 18521 5711 1 6 . 1 1 148 148 ASP CA C 148 57.252 57.252 57.423 -0.171 18521 5712 1 6 . 1 1 148 148 ASP CB C 148 39.918 39.918 40.385 -0.467 18521 5713 1 6 . 1 1 148 148 ASP H H 148 8.522 8.522 8.493 0.029 18521 5714 1 6 . 1 1 149 149 GLU N N 149 121.333 121.333 119.916 1.417 18521 5715 1 6 . 1 1 149 149 GLU HA H 149 4.008 4.008 3.953 0.055 18521 5716 1 6 . 1 1 149 149 GLU C C 149 175.652 175.652 178.741 -3.089 18521 5717 1 6 . 1 1 149 149 GLU CA C 149 59.394 59.394 59.611 -0.217 18521 5718 1 6 . 1 1 149 149 GLU CB C 149 32.048 32.048 32.253 -0.205 18521 5719 1 6 . 1 1 149 149 GLU H H 149 7.768 7.768 8.076 -0.308 18521 5720 1 6 . 1 1 150 150 LEU N N 150 120.820 120.820 119.259 1.561 18521 5721 1 6 . 1 1 150 150 LEU HA H 150 3.718 3.718 4.005 -0.287 18521 5722 1 6 . 1 1 150 150 LEU C C 150 179.476 179.476 179.283 0.193 18521 5723 1 6 . 1 1 150 150 LEU CA C 150 57.656 57.656 57.918 -0.262 18521 5724 1 6 . 1 1 150 150 LEU CB C 150 28.936 28.936 29.614 -0.678 18521 5725 1 6 . 1 1 150 150 LEU H H 150 8.113 8.113 7.257 0.856 18521 5726 1 6 . 1 1 151 151 GLN N N 151 118.698 118.698 119.308 -0.610 18521 5727 1 6 . 1 1 151 151 GLN HA H 151 3.990 3.990 3.689 0.301 18521 5728 1 6 . 1 1 151 151 GLN C C 151 178.418 178.418 178.041 0.377 18521 5729 1 6 . 1 1 151 151 GLN CA C 151 58.570 58.570 59.585 -1.015 18521 5730 1 6 . 1 1 151 151 GLN CB C 151 38.409 38.409 37.449 0.960 18521 5731 1 6 . 1 1 151 151 GLN H H 151 8.282 8.282 7.617 0.665 18521 5732 1 6 . 1 1 152 152 GLU N N 152 120.750 120.750 120.069 0.681 18521 5733 1 6 . 1 1 152 152 GLU HA H 152 4.035 4.035 3.962 0.073 18521 5734 1 6 . 1 1 152 152 GLU C C 152 178.916 178.916 178.839 0.077 18521 5735 1 6 . 1 1 152 152 GLU CA C 152 59.223 59.223 59.398 -0.175 18521 5736 1 6 . 1 1 152 152 GLU CB C 152 29.322 29.322 29.194 0.128 18521 5737 1 6 . 1 1 152 152 GLU H H 152 7.499 7.499 8.292 -0.793 18521 5738 1 6 . 1 1 153 153 VAL N N 153 120.317 120.317 120.643 -0.326 18521 5739 1 6 . 1 1 153 153 VAL HA H 153 3.695 3.695 3.797 -0.102 18521 5740 1 6 . 1 1 153 153 VAL C C 153 178.846 178.846 178.113 0.733 18521 5741 1 6 . 1 1 153 153 VAL CA C 153 65.832 65.832 66.622 -0.790 18521 5742 1 6 . 1 1 153 153 VAL CB C 153 31.921 31.921 31.789 0.132 18521 5743 1 6 . 1 1 153 153 VAL H H 153 7.763 7.763 8.459 -0.696 18521 5744 1 6 . 1 1 154 154 LEU N N 154 121.374 121.374 119.583 1.791 18521 5745 1 6 . 1 1 154 154 LEU HA H 154 3.917 3.917 3.978 -0.061 18521 5746 1 6 . 1 1 154 154 LEU C C 154 178.836 178.836 178.497 0.339 18521 5747 1 6 . 1 1 154 154 LEU CA C 154 57.439 57.439 58.158 -0.720 18521 5748 1 6 . 1 1 154 154 LEU CB C 154 41.797 41.797 41.061 0.736 18521 5749 1 6 . 1 1 154 154 LEU H H 154 7.731 7.731 8.034 -0.303 18521 5750 1 6 . 1 1 155 155 ALA N N 155 121.695 121.695 124.017 -2.322 18521 5751 1 6 . 1 1 155 155 ALA HA H 155 4.145 4.145 3.823 0.322 18521 5752 1 6 . 1 1 155 155 ALA C C 155 179.502 179.502 179.981 -0.479 18521 5753 1 6 . 1 1 155 155 ALA CA C 155 54.175 54.175 55.391 -1.216 18521 5754 1 6 . 1 1 155 155 ALA CB C 155 18.499 18.499 18.685 -0.186 18521 5755 1 6 . 1 1 155 155 ALA H H 155 7.896 7.896 7.733 0.163 18521 5756 1 6 . 1 1 156 156 MET N N 156 117.652 117.652 118.803 -1.151 18521 5757 1 6 . 1 1 156 156 MET HA H 156 4.228 4.228 3.903 0.325 18521 5758 1 6 . 1 1 156 156 MET C C 156 177.366 177.366 178.176 -0.810 18521 5759 1 6 . 1 1 156 156 MET CA C 156 57.306 57.306 59.302 -1.996 18521 5760 1 6 . 1 1 156 156 MET CB C 156 32.373 32.373 32.542 -0.169 18521 5761 1 6 . 1 1 156 156 MET H H 156 7.778 7.778 8.334 -0.556 18521 5762 1 6 . 1 1 157 157 ASN N N 157 117.853 117.853 117.090 0.763 18521 5763 1 6 . 1 1 157 157 ASN HA H 157 4.588 4.588 4.144 0.444 18521 5764 1 6 . 1 1 157 157 ASN C C 157 175.211 175.211 177.641 -2.430 18521 5765 1 6 . 1 1 157 157 ASN CA C 157 54.068 54.068 57.194 -3.126 18521 5766 1 6 . 1 1 157 157 ASN CB C 157 39.125 39.125 38.288 0.838 18521 5767 1 6 . 1 1 157 157 ASN H H 157 8.009 8.009 8.350 -0.341 18521 5768 1 6 . 1 1 158 158 ASN N N 158 117.684 117.684 117.238 0.446 18521 5769 1 6 . 1 1 158 158 ASN HA H 158 4.612 4.612 4.314 0.298 18521 5770 1 6 . 1 1 158 158 ASN C C 158 174.669 174.669 177.338 -2.669 18521 5771 1 6 . 1 1 158 158 ASN CA C 158 53.554 53.554 56.072 -2.518 18521 5772 1 6 . 1 1 158 158 ASN CB C 158 39.343 39.343 37.957 1.386 18521 5773 1 6 . 1 1 158 158 ASN H H 158 7.951 7.951 8.715 -0.764 18521 5774 1 6 . 1 1 159 159 ASN N N 159 119.399 119.399 117.058 2.341 18521 5775 1 6 . 1 1 159 159 ASN HA H 159 4.583 4.583 4.427 0.156 18521 5776 1 6 . 1 1 159 159 ASN C C 159 175.563 175.563 177.547 -1.984 18521 5777 1 6 . 1 1 159 159 ASN CA C 159 53.901 53.901 56.211 -2.310 18521 5778 1 6 . 1 1 159 159 ASN CB C 159 38.425 38.425 38.084 0.341 18521 5779 1 6 . 1 1 159 159 ASN H H 159 8.319 8.319 7.586 0.733 18521 5780 1 6 . 1 1 160 160 SER N N 160 115.453 115.453 116.868 -1.415 18521 5781 1 6 . 1 1 160 160 SER HA H 160 4.324 4.324 4.047 0.277 18521 5782 1 6 . 1 1 160 160 SER C C 160 174.952 174.952 177.019 -2.067 18521 5783 1 6 . 1 1 160 160 SER CA C 160 58.851 58.851 61.304 -2.453 18521 5784 1 6 . 1 1 160 160 SER CB C 160 63.704 63.704 62.900 0.804 18521 5785 1 6 . 1 1 160 160 SER H H 160 8.297 8.297 7.442 0.855 18521 5786 1 6 . 1 1 161 161 GLY N N 161 110.851 110.851 105.838 5.013 18521 5787 1 6 . 1 1 161 161 GLY HA H 161 4.146 4.146 4.036 0.110 18521 5788 1 6 . 1 1 161 161 GLY C C 161 173.974 173.974 176.797 -2.823 18521 5789 1 6 . 1 1 161 161 GLY CA C 161 45.348 45.348 47.819 -2.471 18521 5790 1 6 . 1 1 161 161 GLY CB C 161 42.245 42.245 41.906 0.339 18521 5791 1 6 . 1 1 161 161 GLY H H 161 8.328 8.328 8.092 0.236 18521 5792 1 6 . 1 1 162 162 GLU N N 162 120.859 120.859 117.089 3.770 18521 5793 1 6 . 1 1 162 162 GLU HA H 162 4.211 4.211 4.195 0.016 18521 5794 1 6 . 1 1 162 162 GLU C C 162 177.522 177.522 177.757 -0.235 18521 5795 1 6 . 1 1 162 162 GLU CA C 162 56.065 56.065 58.849 -2.784 18521 5796 1 6 . 1 1 162 162 GLU CB C 162 29.852 29.852 28.999 0.853 18521 5797 1 6 . 1 1 162 162 GLU H H 162 8.244 8.244 7.713 0.531 18521 5798 1 6 . 1 1 163 163 LEU N N 163 124.226 124.226 118.063 6.163 18521 5799 1 6 . 1 1 163 163 LEU HA H 163 3.889 3.889 4.261 -0.372 18521 5800 1 6 . 1 1 163 163 LEU C C 163 178.043 178.043 177.020 1.023 18521 5801 1 6 . 1 1 163 163 LEU CA C 163 57.163 57.163 54.815 2.348 18521 5802 1 6 . 1 1 163 163 LEU CB C 163 41.840 41.840 42.218 -0.378 18521 5803 1 6 . 1 1 163 163 LEU H H 163 8.337 8.337 7.721 0.616 18521 5804 1 6 . 1 1 164 164 ASP N N 164 116.994 116.994 118.879 -1.885 18521 5805 1 6 . 1 1 164 164 ASP HA H 164 4.327 4.327 4.276 0.051 18521 5806 1 6 . 1 1 164 164 ASP C C 164 176.423 176.423 176.660 -0.237 18521 5807 1 6 . 1 1 164 164 ASP CA C 164 55.427 55.427 54.550 0.876 18521 5808 1 6 . 1 1 164 164 ASP H H 164 8.188 8.188 7.837 0.351 18521 5809 1 6 . 1 1 165 165 ASP N N 165 118.967 118.967 118.639 0.328 18521 5810 1 6 . 1 1 165 165 ASP HA H 165 4.443 4.443 4.454 -0.011 18521 5811 1 6 . 1 1 165 165 ASP C C 165 175.654 175.654 176.203 -0.549 18521 5812 1 6 . 1 1 165 165 ASP CA C 165 54.707 54.707 54.822 -0.114 18521 5813 1 6 . 1 1 165 165 ASP CB C 165 40.973 40.973 41.208 -0.235 18521 5814 1 6 . 1 1 165 165 ASP H H 165 7.701 7.701 7.732 -0.031 18521 5815 1 6 . 1 1 166 166 ILE N N 166 122.002 122.002 119.532 2.470 18521 5816 1 6 . 1 1 166 166 ILE HA H 166 4.049 4.049 3.966 0.083 18521 5817 1 6 . 1 1 166 166 ILE C C 166 175.180 175.180 175.144 0.036 18521 5818 1 6 . 1 1 166 166 ILE CA C 166 60.396 60.396 59.750 0.646 18521 5819 1 6 . 1 1 166 166 ILE CB C 166 39.185 39.185 37.386 1.798 18521 5820 1 6 . 1 1 166 166 ILE H H 166 7.388 7.388 7.361 0.027 18521 5821 1 7 . 1 1 2 2 ALA N N 2 122.445 122.445 124.113 -1.668 18521 5822 1 7 . 1 1 2 2 ALA HA H 2 4.045 4.045 4.064 -0.019 18521 5823 1 7 . 1 1 2 2 ALA C C 2 179.992 179.992 178.814 1.178 18521 5824 1 7 . 1 1 2 2 ALA CA C 2 55.140 55.140 54.892 0.248 18521 5825 1 7 . 1 1 2 2 ALA CB C 2 18.482 18.482 17.991 0.491 18521 5826 1 7 . 1 1 2 2 ALA H H 2 8.545 8.545 8.585 -0.040 18521 5827 1 7 . 1 1 3 3 SER N N 3 115.544 115.544 114.179 1.365 18521 5828 1 7 . 1 1 3 3 SER HA H 3 4.030 4.030 4.123 -0.093 18521 5829 1 7 . 1 1 3 3 SER C C 3 176.584 176.584 176.443 0.141 18521 5830 1 7 . 1 1 3 3 SER CA C 3 60.748 60.748 61.998 -1.250 18521 5831 1 7 . 1 1 3 3 SER CB C 3 62.416 62.416 62.537 -0.121 18521 5832 1 7 . 1 1 3 3 SER H H 3 8.009 8.009 8.434 -0.425 18521 5833 1 7 . 1 1 4 4 ASN N N 4 123.103 123.103 119.594 3.509 18521 5834 1 7 . 1 1 4 4 ASN HA H 4 4.318 4.318 4.492 -0.174 18521 5835 1 7 . 1 1 4 4 ASN C C 4 176.215 176.215 176.980 -0.765 18521 5836 1 7 . 1 1 4 4 ASN CA C 4 55.580 55.580 55.819 -0.239 18521 5837 1 7 . 1 1 4 4 ASN CB C 4 38.154 38.154 38.117 0.037 18521 5838 1 7 . 1 1 4 4 ASN H H 4 7.965 7.965 7.683 0.282 18521 5839 1 7 . 1 1 5 5 ALA N N 5 122.314 122.314 121.704 0.610 18521 5840 1 7 . 1 1 5 5 ALA HA H 5 3.560 3.560 3.895 -0.335 18521 5841 1 7 . 1 1 5 5 ALA C C 5 178.543 178.543 178.809 -0.266 18521 5842 1 7 . 1 1 5 5 ALA CA C 5 55.774 55.774 55.321 0.453 18521 5843 1 7 . 1 1 5 5 ALA CB C 5 17.638 17.638 18.104 -0.466 18521 5844 1 7 . 1 1 5 5 ALA H H 5 8.721 8.721 7.532 1.189 18521 5845 1 7 . 1 1 6 6 ALA N N 6 117.886 117.886 121.477 -3.591 18521 5846 1 7 . 1 1 6 6 ALA HA H 6 3.784 3.784 4.046 -0.262 18521 5847 1 7 . 1 1 6 6 ALA C C 6 180.378 180.378 179.622 0.756 18521 5848 1 7 . 1 1 6 6 ALA CA C 6 55.240 55.240 54.962 0.278 18521 5849 1 7 . 1 1 6 6 ALA CB C 6 17.890 17.890 17.954 -0.064 18521 5850 1 7 . 1 1 6 6 ALA H H 6 7.891 7.891 7.381 0.510 18521 5851 1 7 . 1 1 7 7 ARG N N 7 120.992 120.992 119.284 1.708 18521 5852 1 7 . 1 1 7 7 ARG HA H 7 3.770 3.770 4.033 -0.263 18521 5853 1 7 . 1 1 7 7 ARG C C 7 179.531 179.531 178.640 0.891 18521 5854 1 7 . 1 1 7 7 ARG CA C 7 59.249 59.249 59.332 -0.083 18521 5855 1 7 . 1 1 7 7 ARG CB C 7 29.546 29.546 30.404 -0.858 18521 5856 1 7 . 1 1 7 7 ARG H H 7 7.503 7.503 7.813 -0.310 18521 5857 1 7 . 1 1 8 8 VAL N N 8 123.707 123.707 119.782 3.925 18521 5858 1 7 . 1 1 8 8 VAL HA H 8 3.285 3.285 3.751 -0.466 18521 5859 1 7 . 1 1 8 8 VAL C C 8 177.740 177.740 178.004 -0.264 18521 5860 1 7 . 1 1 8 8 VAL CA C 8 67.839 67.839 67.187 0.652 18521 5861 1 7 . 1 1 8 8 VAL CB C 8 31.516 31.516 31.857 -0.341 18521 5862 1 7 . 1 1 8 8 VAL H H 8 8.176 8.176 8.181 -0.005 18521 5863 1 7 . 1 1 9 9 VAL N N 9 119.893 119.893 120.267 -0.374 18521 5864 1 7 . 1 1 9 9 VAL HA H 9 3.286 3.286 3.573 -0.287 18521 5865 1 7 . 1 1 9 9 VAL C C 9 177.535 177.535 177.662 -0.127 18521 5866 1 7 . 1 1 9 9 VAL CA C 9 67.549 67.549 66.672 0.877 18521 5867 1 7 . 1 1 9 9 VAL CB C 9 31.683 31.683 30.936 0.747 18521 5868 1 7 . 1 1 9 9 VAL H H 9 8.329 8.329 7.708 0.621 18521 5869 1 7 . 1 1 10 10 ALA N N 10 122.541 122.541 121.217 1.324 18521 5870 1 7 . 1 1 10 10 ALA HA H 10 3.971 3.971 4.089 -0.118 18521 5871 1 7 . 1 1 10 10 ALA C C 10 177.093 177.093 179.794 -2.701 18521 5872 1 7 . 1 1 10 10 ALA CA C 10 55.448 55.448 55.486 -0.038 18521 5873 1 7 . 1 1 10 10 ALA CB C 10 17.791 17.791 18.264 -0.473 18521 5874 1 7 . 1 1 10 10 ALA H H 10 7.802 7.802 7.817 -0.015 18521 5875 1 7 . 1 1 11 11 THR N N 11 116.946 116.946 115.865 1.081 18521 5876 1 7 . 1 1 11 11 THR HA H 11 3.821 3.821 3.996 -0.175 18521 5877 1 7 . 1 1 11 11 THR C C 11 175.702 175.702 176.679 -0.977 18521 5878 1 7 . 1 1 11 11 THR CA C 11 66.531 66.531 66.323 0.208 18521 5879 1 7 . 1 1 11 11 THR CB C 11 68.493 68.493 68.359 0.134 18521 5880 1 7 . 1 1 11 11 THR H H 11 8.187 8.187 8.095 0.092 18521 5881 1 7 . 1 1 12 12 ALA N N 12 125.357 125.357 124.060 1.297 18521 5882 1 7 . 1 1 12 12 ALA HA H 12 4.003 4.003 4.069 -0.066 18521 5883 1 7 . 1 1 12 12 ALA C C 12 179.401 179.401 179.361 0.040 18521 5884 1 7 . 1 1 12 12 ALA CA C 12 56.083 56.083 55.328 0.755 18521 5885 1 7 . 1 1 12 12 ALA CB C 12 18.855 18.855 18.213 0.642 18521 5886 1 7 . 1 1 12 12 ALA H H 12 8.641 8.641 8.442 0.199 18521 5887 1 7 . 1 1 13 13 LYS N N 13 117.246 117.246 117.017 0.229 18521 5888 1 7 . 1 1 13 13 LYS HA H 13 3.964 3.964 4.096 -0.132 18521 5889 1 7 . 1 1 13 13 LYS C C 13 180.132 180.132 178.361 1.771 18521 5890 1 7 . 1 1 13 13 LYS CA C 13 58.991 58.991 59.205 -0.214 18521 5891 1 7 . 1 1 13 13 LYS CB C 13 32.014 32.014 32.064 -0.050 18521 5892 1 7 . 1 1 13 13 LYS H H 13 7.961 7.961 7.679 0.282 18521 5893 1 7 . 1 1 14 14 ASP N N 14 122.162 122.162 119.753 2.409 18521 5894 1 7 . 1 1 14 14 ASP HA H 14 4.355 4.355 4.403 -0.048 18521 5895 1 7 . 1 1 14 14 ASP C C 14 179.394 179.394 178.305 1.089 18521 5896 1 7 . 1 1 14 14 ASP CA C 14 57.524 57.524 56.904 0.620 18521 5897 1 7 . 1 1 14 14 ASP CB C 14 39.984 39.984 40.420 -0.436 18521 5898 1 7 . 1 1 14 14 ASP H H 14 7.702 7.702 7.820 -0.118 18521 5899 1 7 . 1 1 15 15 PHE N N 15 119.552 119.552 118.049 1.503 18521 5900 1 7 . 1 1 15 15 PHE HA H 15 4.307 4.307 4.198 0.109 18521 5901 1 7 . 1 1 15 15 PHE C C 15 178.383 178.383 177.885 0.498 18521 5902 1 7 . 1 1 15 15 PHE CA C 15 62.313 62.313 61.538 0.776 18521 5903 1 7 . 1 1 15 15 PHE CB C 15 37.340 37.340 38.810 -1.470 18521 5904 1 7 . 1 1 15 15 PHE H H 15 7.970 7.970 7.591 0.379 18521 5905 1 7 . 1 1 16 16 ASP N N 16 121.464 121.464 119.603 1.861 18521 5906 1 7 . 1 1 16 16 ASP HA H 16 4.016 4.016 4.450 -0.434 18521 5907 1 7 . 1 1 16 16 ASP C C 16 179.923 179.923 179.229 0.694 18521 5908 1 7 . 1 1 16 16 ASP CA C 16 58.030 58.030 57.321 0.709 18521 5909 1 7 . 1 1 16 16 ASP CB C 16 41.407 41.407 40.178 1.229 18521 5910 1 7 . 1 1 16 16 ASP H H 16 8.259 8.259 7.816 0.443 18521 5911 1 7 . 1 1 17 17 LYS N N 17 118.806 118.806 120.850 -2.044 18521 5912 1 7 . 1 1 17 17 LYS HA H 17 4.047 4.047 4.126 -0.079 18521 5913 1 7 . 1 1 17 17 LYS C C 17 178.432 178.432 177.880 0.552 18521 5914 1 7 . 1 1 17 17 LYS CA C 17 59.018 59.018 58.977 0.042 18521 5915 1 7 . 1 1 17 17 LYS CB C 17 32.592 32.592 32.677 -0.085 18521 5916 1 7 . 1 1 17 17 LYS H H 17 7.842 7.842 7.728 0.114 18521 5917 1 7 . 1 1 18 18 VAL N N 18 110.416 110.416 116.559 -6.143 18521 5918 1 7 . 1 1 18 18 VAL HA H 18 4.523 4.523 4.042 0.481 18521 5919 1 7 . 1 1 18 18 VAL C C 18 176.089 176.089 175.621 0.468 18521 5920 1 7 . 1 1 18 18 VAL CA C 18 60.797 60.797 62.876 -2.079 18521 5921 1 7 . 1 1 18 18 VAL CB C 18 31.194 31.194 32.055 -0.861 18521 5922 1 7 . 1 1 18 18 VAL H H 18 7.198 7.198 7.303 -0.105 18521 5923 1 7 . 1 1 19 19 GLY N N 19 109.008 109.008 107.972 1.036 18521 5924 1 7 . 1 1 19 19 GLY C C 19 175.070 175.070 174.580 0.490 18521 5925 1 7 . 1 1 19 19 GLY CA C 19 45.842 45.842 45.392 0.450 18521 5926 1 7 . 1 1 19 19 GLY H H 19 7.731 7.731 7.637 0.094 18521 5927 1 7 . 1 1 20 20 LEU N N 20 125.244 125.244 123.169 2.075 18521 5928 1 7 . 1 1 20 20 LEU HA H 20 4.938 4.938 4.601 0.337 18521 5929 1 7 . 1 1 20 20 LEU C C 20 177.890 177.890 176.976 0.914 18521 5930 1 7 . 1 1 20 20 LEU CA C 20 52.674 52.674 53.304 -0.630 18521 5931 1 7 . 1 1 20 20 LEU CB C 20 40.239 40.239 40.052 0.187 18521 5932 1 7 . 1 1 20 20 LEU H H 20 8.102 8.102 8.293 -0.191 18521 5933 1 7 . 1 1 21 21 GLY N N 21 108.031 108.031 110.035 -2.004 18521 5934 1 7 . 1 1 21 21 GLY C C 21 176.174 176.174 175.897 0.277 18521 5935 1 7 . 1 1 21 21 GLY CA C 21 47.352 47.352 47.403 -0.051 18521 5936 1 7 . 1 1 21 21 GLY H H 21 8.046 8.046 8.067 -0.021 18521 5937 1 7 . 1 1 22 22 ILE N N 22 121.173 121.173 121.930 -0.757 18521 5938 1 7 . 1 1 22 22 ILE HA H 22 3.944 3.944 3.725 0.219 18521 5939 1 7 . 1 1 22 22 ILE C C 22 176.119 176.119 177.679 -1.560 18521 5940 1 7 . 1 1 22 22 ILE CA C 22 61.179 61.179 64.745 -3.566 18521 5941 1 7 . 1 1 22 22 ILE CB C 22 35.934 35.934 37.836 -1.902 18521 5942 1 7 . 1 1 22 22 ILE H H 22 8.395 8.395 8.116 0.279 18521 5943 1 7 . 1 1 23 23 ILE N N 23 120.647 120.647 120.024 0.623 18521 5944 1 7 . 1 1 23 23 ILE HA H 23 3.713 3.713 3.797 -0.084 18521 5945 1 7 . 1 1 23 23 ILE C C 23 178.458 178.458 178.595 -0.137 18521 5946 1 7 . 1 1 23 23 ILE CA C 23 64.266 64.266 62.407 1.859 18521 5947 1 7 . 1 1 23 23 ILE CB C 23 36.272 36.272 36.161 0.111 18521 5948 1 7 . 1 1 23 23 ILE H H 23 6.824 6.824 7.327 -0.503 18521 5949 1 7 . 1 1 24 24 GLY N N 24 103.326 103.326 107.908 -4.582 18521 5950 1 7 . 1 1 24 24 GLY C C 24 174.914 174.914 175.617 -0.703 18521 5951 1 7 . 1 1 24 24 GLY CA C 24 47.998 47.998 47.064 0.934 18521 5952 1 7 . 1 1 24 24 GLY H H 24 7.412 7.412 7.894 -0.481 18521 5953 1 7 . 1 1 25 25 TYR N N 25 124.188 124.188 124.098 0.090 18521 5954 1 7 . 1 1 25 25 TYR HA H 25 3.734 3.734 3.761 -0.027 18521 5955 1 7 . 1 1 25 25 TYR C C 25 176.055 176.055 177.184 -1.129 18521 5956 1 7 . 1 1 25 25 TYR CA C 25 60.962 60.962 60.654 0.308 18521 5957 1 7 . 1 1 25 25 TYR CB C 25 37.888 37.888 37.655 0.233 18521 5958 1 7 . 1 1 25 25 TYR H H 25 7.861 7.861 8.254 -0.393 18521 5959 1 7 . 1 1 26 26 TYR N N 26 117.390 117.390 117.360 0.030 18521 5960 1 7 . 1 1 26 26 TYR HA H 26 3.881 3.881 3.905 -0.024 18521 5961 1 7 . 1 1 26 26 TYR C C 26 178.653 178.653 177.952 0.701 18521 5962 1 7 . 1 1 26 26 TYR CA C 26 64.270 64.270 62.462 1.808 18521 5963 1 7 . 1 1 26 26 TYR CB C 26 37.453 37.453 38.231 -0.778 18521 5964 1 7 . 1 1 26 26 TYR H H 26 7.594 7.594 7.583 0.011 18521 5965 1 7 . 1 1 27 27 LEU N N 27 118.536 118.536 119.756 -1.220 18521 5966 1 7 . 1 1 27 27 LEU HA H 27 4.277 4.277 3.806 0.471 18521 5967 1 7 . 1 1 27 27 LEU C C 27 179.025 179.025 179.044 -0.019 18521 5968 1 7 . 1 1 27 27 LEU CA C 27 58.382 58.382 58.067 0.315 18521 5969 1 7 . 1 1 27 27 LEU CB C 27 42.595 42.595 41.126 1.469 18521 5970 1 7 . 1 1 27 27 LEU H H 27 8.226 8.226 7.841 0.385 18521 5971 1 7 . 1 1 28 28 GLN N N 28 119.110 119.110 117.850 1.260 18521 5972 1 7 . 1 1 28 28 GLN HA H 28 3.665 3.665 3.828 -0.163 18521 5973 1 7 . 1 1 28 28 GLN C C 28 177.406 177.406 178.354 -0.948 18521 5974 1 7 . 1 1 28 28 GLN CA C 28 60.626 60.626 58.996 1.630 18521 5975 1 7 . 1 1 28 28 GLN CB C 28 28.959 28.959 28.559 0.400 18521 5976 1 7 . 1 1 28 28 GLN H H 28 8.007 8.007 8.290 -0.283 18521 5977 1 7 . 1 1 29 29 LEU N N 29 121.623 121.623 120.819 0.804 18521 5978 1 7 . 1 1 29 29 LEU HA H 29 3.718 3.718 3.850 -0.132 18521 5979 1 7 . 1 1 29 29 LEU C C 29 179.706 179.706 177.999 1.707 18521 5980 1 7 . 1 1 29 29 LEU CA C 29 58.382 58.382 57.449 0.933 18521 5981 1 7 . 1 1 29 29 LEU CB C 29 42.114 42.114 41.416 0.698 18521 5982 1 7 . 1 1 29 29 LEU H H 29 7.938 7.938 7.264 0.674 18521 5983 1 7 . 1 1 30 30 TYR N N 30 120.084 120.084 120.397 -0.313 18521 5984 1 7 . 1 1 30 30 TYR HA H 30 4.132 4.132 3.838 0.294 18521 5985 1 7 . 1 1 30 30 TYR C C 30 175.611 175.611 176.932 -1.321 18521 5986 1 7 . 1 1 30 30 TYR CA C 30 58.951 58.951 60.816 -1.865 18521 5987 1 7 . 1 1 30 30 TYR CB C 30 39.302 39.302 37.936 1.366 18521 5988 1 7 . 1 1 30 30 TYR H H 30 7.974 7.974 8.101 -0.127 18521 5989 1 7 . 1 1 31 31 ALA N N 31 121.802 121.802 121.408 0.394 18521 5990 1 7 . 1 1 31 31 ALA HA H 31 3.343 3.343 3.570 -0.227 18521 5991 1 7 . 1 1 31 31 ALA C C 31 178.911 178.911 178.993 -0.082 18521 5992 1 7 . 1 1 31 31 ALA CA C 31 55.429 55.429 54.862 0.567 18521 5993 1 7 . 1 1 31 31 ALA CB C 31 17.895 17.895 18.145 -0.251 18521 5994 1 7 . 1 1 31 31 ALA H H 31 8.504 8.504 8.118 0.386 18521 5995 1 7 . 1 1 32 32 VAL N N 32 116.528 116.528 118.787 -2.259 18521 5996 1 7 . 1 1 32 32 VAL HA H 32 3.249 3.249 3.322 -0.073 18521 5997 1 7 . 1 1 32 32 VAL C C 32 176.963 176.963 177.800 -0.837 18521 5998 1 7 . 1 1 32 32 VAL CA C 32 67.723 67.723 67.079 0.644 18521 5999 1 7 . 1 1 32 32 VAL CB C 32 31.403 31.403 31.691 -0.288 18521 6000 1 7 . 1 1 32 32 VAL H H 32 8.027 8.027 7.676 0.351 18521 6001 1 7 . 1 1 33 33 GLU N N 33 118.609 118.609 119.087 -0.478 18521 6002 1 7 . 1 1 33 33 GLU HA H 33 3.804 3.804 3.935 -0.131 18521 6003 1 7 . 1 1 33 33 GLU C C 33 180.234 180.234 179.019 1.215 18521 6004 1 7 . 1 1 33 33 GLU CA C 33 59.446 59.446 59.335 0.111 18521 6005 1 7 . 1 1 33 33 GLU CB C 33 28.711 28.711 29.474 -0.763 18521 6006 1 7 . 1 1 33 33 GLU H H 33 7.299 7.299 7.452 -0.153 18521 6007 1 7 . 1 1 34 34 LEU N N 34 120.831 120.831 120.276 0.555 18521 6008 1 7 . 1 1 34 34 LEU HA H 34 3.702 3.702 3.844 -0.142 18521 6009 1 7 . 1 1 34 34 LEU C C 34 180.024 180.024 178.476 1.548 18521 6010 1 7 . 1 1 34 34 LEU CA C 34 57.815 57.815 58.150 -0.335 18521 6011 1 7 . 1 1 34 34 LEU CB C 34 42.097 42.097 41.409 0.688 18521 6012 1 7 . 1 1 34 34 LEU H H 34 8.168 8.168 7.143 1.025 18521 6013 1 7 . 1 1 35 35 ILE N N 35 120.733 120.733 117.500 3.233 18521 6014 1 7 . 1 1 35 35 ILE HA H 35 3.589 3.589 3.516 0.073 18521 6015 1 7 . 1 1 35 35 ILE C C 35 178.501 178.501 178.693 -0.192 18521 6016 1 7 . 1 1 35 35 ILE CA C 35 65.363 65.363 64.968 0.395 18521 6017 1 7 . 1 1 35 35 ILE CB C 35 38.960 38.960 37.997 0.963 18521 6018 1 7 . 1 1 35 35 ILE H H 35 8.064 8.064 7.353 0.711 18521 6019 1 7 . 1 1 36 36 LEU N N 36 115.519 115.519 119.141 -3.622 18521 6020 1 7 . 1 1 36 36 LEU HA H 36 3.958 3.958 3.996 -0.038 18521 6021 1 7 . 1 1 36 36 LEU C C 36 178.244 178.244 178.207 0.037 18521 6022 1 7 . 1 1 36 36 LEU CA C 36 56.069 56.069 57.432 -1.363 18521 6023 1 7 . 1 1 36 36 LEU CB C 36 40.528 40.528 41.608 -1.080 18521 6024 1 7 . 1 1 36 36 LEU H H 36 8.370 8.370 7.618 0.752 18521 6025 1 7 . 1 1 37 37 SER N N 37 113.976 113.976 111.114 2.862 18521 6026 1 7 . 1 1 37 37 SER HA H 37 4.197 4.197 4.401 -0.204 18521 6027 1 7 . 1 1 37 37 SER C C 37 173.934 173.934 174.103 -0.169 18521 6028 1 7 . 1 1 37 37 SER CA C 37 60.204 60.204 59.609 0.595 18521 6029 1 7 . 1 1 37 37 SER CB C 37 63.507 63.507 63.689 -0.182 18521 6030 1 7 . 1 1 37 37 SER H H 37 7.523 7.523 7.844 -0.321 18521 6031 1 7 . 1 1 38 38 GLU N N 38 123.219 123.219 121.266 1.953 18521 6032 1 7 . 1 1 38 38 GLU HA H 38 4.426 4.426 4.382 0.044 18521 6033 1 7 . 1 1 38 38 GLU C C 38 175.767 175.767 176.064 -0.297 18521 6034 1 7 . 1 1 38 38 GLU CA C 38 55.046 55.046 55.575 -0.529 18521 6035 1 7 . 1 1 38 38 GLU CB C 38 30.395 30.395 30.346 0.049 18521 6036 1 7 . 1 1 38 38 GLU H H 38 7.185 7.185 7.435 -0.250 18521 6037 1 7 . 1 1 39 39 GLU N N 39 126.955 126.955 124.792 2.163 18521 6038 1 7 . 1 1 39 39 GLU HA H 39 3.985 3.985 4.097 -0.112 18521 6039 1 7 . 1 1 39 39 GLU C C 39 176.861 176.861 175.919 0.942 18521 6040 1 7 . 1 1 39 39 GLU CA C 39 58.331 58.331 58.232 0.099 18521 6041 1 7 . 1 1 39 39 GLU CB C 39 30.008 30.008 30.102 -0.094 18521 6042 1 7 . 1 1 39 39 GLU H H 39 8.632 8.632 8.682 -0.050 18521 6043 1 7 . 1 1 40 40 ASP N N 40 119.763 119.763 119.552 0.211 18521 6044 1 7 . 1 1 40 40 ASP HA H 40 4.616 4.616 4.750 -0.134 18521 6045 1 7 . 1 1 40 40 ASP C C 40 174.989 174.989 175.213 -0.224 18521 6046 1 7 . 1 1 40 40 ASP CA C 40 53.281 53.281 54.050 -0.770 18521 6047 1 7 . 1 1 40 40 ASP CB C 40 39.814 39.814 40.930 -1.116 18521 6048 1 7 . 1 1 40 40 ASP H H 40 8.560 8.560 8.115 0.445 18521 6049 1 7 . 1 1 41 41 ARG N N 41 119.595 119.595 122.441 -2.846 18521 6050 1 7 . 1 1 41 41 ARG HA H 41 4.390 4.390 4.590 -0.200 18521 6051 1 7 . 1 1 41 41 ARG C C 41 175.553 175.553 174.748 0.805 18521 6052 1 7 . 1 1 41 41 ARG CA C 41 54.707 54.707 55.280 -0.573 18521 6053 1 7 . 1 1 41 41 ARG CB C 41 31.865 31.865 33.839 -1.974 18521 6054 1 7 . 1 1 41 41 ARG H H 41 7.443 7.443 8.551 -1.108 18521 6055 1 7 . 1 1 42 42 SER N N 42 119.463 119.463 117.944 1.519 18521 6056 1 7 . 1 1 42 42 SER HA H 42 4.381 4.381 4.793 -0.412 18521 6057 1 7 . 1 1 42 42 SER C C 42 175.361 175.361 175.278 0.083 18521 6058 1 7 . 1 1 42 42 SER CA C 42 57.137 57.137 56.136 1.001 18521 6059 1 7 . 1 1 42 42 SER CB C 42 65.166 65.166 65.930 -0.764 18521 6060 1 7 . 1 1 42 42 SER H H 42 8.556 8.556 8.220 0.336 18521 6061 1 7 . 1 1 43 43 GLN N N 43 122.535 122.535 121.288 1.247 18521 6062 1 7 . 1 1 43 43 GLN HA H 43 4.018 4.018 3.943 0.075 18521 6063 1 7 . 1 1 43 43 GLN C C 43 178.768 178.768 178.297 0.471 18521 6064 1 7 . 1 1 43 43 GLN CA C 43 59.073 59.073 59.608 -0.535 18521 6065 1 7 . 1 1 43 43 GLN CB C 43 27.871 27.871 28.493 -0.622 18521 6066 1 7 . 1 1 43 43 GLN H H 43 9.087 9.087 8.917 0.170 18521 6067 1 7 . 1 1 44 44 GLU N N 44 120.308 120.308 120.012 0.296 18521 6068 1 7 . 1 1 44 44 GLU HA H 44 3.982 3.982 4.140 -0.158 18521 6069 1 7 . 1 1 44 44 GLU C C 44 179.737 179.737 178.560 1.177 18521 6070 1 7 . 1 1 44 44 GLU CA C 44 60.142 60.142 59.008 1.134 18521 6071 1 7 . 1 1 44 44 GLU CB C 44 28.801 28.801 28.980 -0.179 18521 6072 1 7 . 1 1 44 44 GLU H H 44 8.958 8.958 8.572 0.386 18521 6073 1 7 . 1 1 45 45 MET N N 45 120.968 120.968 118.576 2.392 18521 6074 1 7 . 1 1 45 45 MET HA H 45 4.432 4.432 4.155 0.277 18521 6075 1 7 . 1 1 45 45 MET C C 45 178.153 178.153 178.695 -0.542 18521 6076 1 7 . 1 1 45 45 MET CA C 45 57.117 57.117 59.326 -2.209 18521 6077 1 7 . 1 1 45 45 MET CB C 45 32.517 32.517 32.771 -0.254 18521 6078 1 7 . 1 1 45 45 MET H H 45 7.740 7.740 7.931 -0.191 18521 6079 1 7 . 1 1 46 46 THR N N 46 120.159 120.159 115.897 4.262 18521 6080 1 7 . 1 1 46 46 THR HA H 46 3.620 3.620 3.958 -0.338 18521 6081 1 7 . 1 1 46 46 THR C C 46 176.389 176.389 176.382 0.007 18521 6082 1 7 . 1 1 46 46 THR CA C 46 67.416 67.416 66.775 0.641 18521 6083 1 7 . 1 1 46 46 THR CB C 46 68.208 68.208 68.496 -0.288 18521 6084 1 7 . 1 1 46 46 THR H H 46 8.190 8.190 8.654 -0.464 18521 6085 1 7 . 1 1 47 47 ALA N N 47 124.729 124.729 123.941 0.788 18521 6086 1 7 . 1 1 47 47 ALA HA H 47 4.060 4.060 4.136 -0.076 18521 6087 1 7 . 1 1 47 47 ALA C C 47 179.554 179.554 179.270 0.284 18521 6088 1 7 . 1 1 47 47 ALA CA C 47 55.195 55.195 54.834 0.360 18521 6089 1 7 . 1 1 47 47 ALA CB C 47 17.654 17.654 18.152 -0.498 18521 6090 1 7 . 1 1 47 47 ALA H H 47 8.292 8.292 7.920 0.372 18521 6091 1 7 . 1 1 48 48 LEU N N 48 122.244 122.244 120.828 1.416 18521 6092 1 7 . 1 1 48 48 LEU HA H 48 4.195 4.195 4.062 0.133 18521 6093 1 7 . 1 1 48 48 LEU C C 48 178.022 178.022 178.479 -0.457 18521 6094 1 7 . 1 1 48 48 LEU CA C 48 57.695 57.695 57.474 0.221 18521 6095 1 7 . 1 1 48 48 LEU CB C 48 41.236 41.236 41.673 -0.437 18521 6096 1 7 . 1 1 48 48 LEU H H 48 7.723 7.723 7.865 -0.142 18521 6097 1 7 . 1 1 49 49 ALA N N 49 120.883 120.883 120.261 0.622 18521 6098 1 7 . 1 1 49 49 ALA HA H 49 3.854 3.854 3.907 -0.053 18521 6099 1 7 . 1 1 49 49 ALA C C 49 178.770 178.770 179.359 -0.589 18521 6100 1 7 . 1 1 49 49 ALA CA C 49 55.836 55.836 55.125 0.711 18521 6101 1 7 . 1 1 49 49 ALA CB C 49 17.137 17.137 18.165 -1.028 18521 6102 1 7 . 1 1 49 49 ALA H H 49 8.210 8.210 7.921 0.289 18521 6103 1 7 . 1 1 50 50 THR N N 50 113.676 113.676 114.831 -1.155 18521 6104 1 7 . 1 1 50 50 THR HA H 50 3.765 3.765 3.898 -0.133 18521 6105 1 7 . 1 1 50 50 THR C C 50 175.836 175.836 176.289 -0.453 18521 6106 1 7 . 1 1 50 50 THR CA C 50 66.975 66.975 67.661 -0.686 18521 6107 1 7 . 1 1 50 50 THR CB C 50 68.976 68.976 68.364 0.612 18521 6108 1 7 . 1 1 50 50 THR H H 50 7.891 7.891 7.551 0.340 18521 6109 1 7 . 1 1 51 51 GLU N N 51 123.445 123.445 122.481 0.964 18521 6110 1 7 . 1 1 51 51 GLU HA H 51 4.221 4.221 4.037 0.184 18521 6111 1 7 . 1 1 51 51 GLU C C 51 179.906 179.906 178.722 1.184 18521 6112 1 7 . 1 1 51 51 GLU CA C 51 59.436 59.436 59.218 0.218 18521 6113 1 7 . 1 1 51 51 GLU CB C 51 29.498 29.498 29.548 -0.050 18521 6114 1 7 . 1 1 51 51 GLU H H 51 7.877 7.877 7.688 0.189 18521 6115 1 7 . 1 1 52 52 LEU N N 52 121.629 121.629 119.195 2.434 18521 6116 1 7 . 1 1 52 52 LEU HA H 52 3.907 3.907 4.029 -0.122 18521 6117 1 7 . 1 1 52 52 LEU C C 52 178.993 178.993 179.130 -0.137 18521 6118 1 7 . 1 1 52 52 LEU CA C 52 57.840 57.840 57.540 0.300 18521 6119 1 7 . 1 1 52 52 LEU CB C 52 42.076 42.076 41.773 0.303 18521 6120 1 7 . 1 1 52 52 LEU H H 52 8.670 8.670 7.434 1.236 18521 6121 1 7 . 1 1 53 53 LEU N N 53 119.996 119.996 119.999 -0.003 18521 6122 1 7 . 1 1 53 53 LEU HA H 53 3.949 3.949 3.791 0.158 18521 6123 1 7 . 1 1 53 53 LEU C C 53 179.950 179.950 178.991 0.959 18521 6124 1 7 . 1 1 53 53 LEU CA C 53 58.480 58.480 58.051 0.429 18521 6125 1 7 . 1 1 53 53 LEU CB C 53 41.341 41.341 41.038 0.303 18521 6126 1 7 . 1 1 53 53 LEU H H 53 8.336 8.336 7.553 0.783 18521 6127 1 7 . 1 1 54 54 ASP N N 54 120.632 120.632 118.982 1.650 18521 6128 1 7 . 1 1 54 54 ASP HA H 54 4.409 4.409 4.442 -0.033 18521 6129 1 7 . 1 1 54 54 ASP C C 54 179.383 179.383 178.901 0.482 18521 6130 1 7 . 1 1 54 54 ASP CA C 54 57.510 57.510 57.360 0.150 18521 6131 1 7 . 1 1 54 54 ASP CB C 54 40.275 40.275 40.066 0.209 18521 6132 1 7 . 1 1 54 54 ASP H H 54 7.884 7.884 7.785 0.099 18521 6133 1 7 . 1 1 55 55 THR N N 55 121.006 121.006 117.611 3.395 18521 6134 1 7 . 1 1 55 55 THR HA H 55 3.923 3.923 4.103 -0.180 18521 6135 1 7 . 1 1 55 55 THR C C 55 177.066 177.066 176.821 0.245 18521 6136 1 7 . 1 1 55 55 THR CA C 55 67.018 67.018 66.611 0.407 18521 6137 1 7 . 1 1 55 55 THR CB C 55 68.725 68.725 68.628 0.097 18521 6138 1 7 . 1 1 55 55 THR H H 55 8.279 8.279 7.476 0.803 18521 6139 1 7 . 1 1 56 56 ILE N N 56 125.465 125.465 122.805 2.660 18521 6140 1 7 . 1 1 56 56 ILE HA H 56 3.748 3.748 3.785 -0.037 18521 6141 1 7 . 1 1 56 56 ILE C C 56 177.879 177.879 178.062 -0.183 18521 6142 1 7 . 1 1 56 56 ILE CA C 56 65.765 65.765 65.804 -0.039 18521 6143 1 7 . 1 1 56 56 ILE CB C 56 38.646 38.646 37.729 0.917 18521 6144 1 7 . 1 1 56 56 ILE H H 56 8.872 8.872 8.547 0.325 18521 6145 1 7 . 1 1 57 57 GLU N N 57 119.951 119.951 119.391 0.560 18521 6146 1 7 . 1 1 57 57 GLU HA H 57 4.034 4.034 3.985 0.049 18521 6147 1 7 . 1 1 57 57 GLU C C 57 179.357 179.357 179.160 0.197 18521 6148 1 7 . 1 1 57 57 GLU CA C 57 59.241 59.241 59.758 -0.517 18521 6149 1 7 . 1 1 57 57 GLU CB C 57 29.226 29.226 29.432 -0.206 18521 6150 1 7 . 1 1 57 57 GLU H H 57 8.024 8.024 7.994 0.030 18521 6151 1 7 . 1 1 58 58 ALA N N 58 122.402 122.402 122.864 -0.462 18521 6152 1 7 . 1 1 58 58 ALA HA H 58 4.044 4.044 4.143 -0.099 18521 6153 1 7 . 1 1 58 58 ALA C C 58 180.049 180.049 179.661 0.388 18521 6154 1 7 . 1 1 58 58 ALA CA C 58 55.167 55.167 55.063 0.104 18521 6155 1 7 . 1 1 58 58 ALA CB C 58 17.836 17.836 18.382 -0.546 18521 6156 1 7 . 1 1 58 58 ALA H H 58 8.026 8.026 8.306 -0.280 18521 6157 1 7 . 1 1 59 59 PHE N N 59 122.034 122.034 120.354 1.680 18521 6158 1 7 . 1 1 59 59 PHE HA H 59 4.165 4.165 4.213 -0.048 18521 6159 1 7 . 1 1 59 59 PHE C C 59 177.169 177.169 177.272 -0.103 18521 6160 1 7 . 1 1 59 59 PHE CA C 59 61.373 61.373 61.309 0.064 18521 6161 1 7 . 1 1 59 59 PHE CB C 59 39.384 39.384 39.676 -0.292 18521 6162 1 7 . 1 1 59 59 PHE H H 59 8.243 8.243 8.823 -0.580 18521 6163 1 7 . 1 1 60 60 LYS N N 60 117.415 117.415 119.706 -2.291 18521 6164 1 7 . 1 1 60 60 LYS HA H 60 3.490 3.490 3.694 -0.204 18521 6165 1 7 . 1 1 60 60 LYS C C 60 179.705 179.705 178.727 0.978 18521 6166 1 7 . 1 1 60 60 LYS CA C 60 60.051 60.051 59.453 0.598 18521 6167 1 7 . 1 1 60 60 LYS CB C 60 32.376 32.376 32.533 -0.157 18521 6168 1 7 . 1 1 60 60 LYS H H 60 7.978 7.978 8.545 -0.567 18521 6169 1 7 . 1 1 61 61 LYS N N 61 119.540 119.540 117.819 1.721 18521 6170 1 7 . 1 1 61 61 LYS HA H 61 3.942 3.942 3.962 -0.020 18521 6171 1 7 . 1 1 61 61 LYS C C 61 178.728 178.728 178.776 -0.048 18521 6172 1 7 . 1 1 61 61 LYS CA C 61 58.878 58.878 59.417 -0.539 18521 6173 1 7 . 1 1 61 61 LYS CB C 61 32.626 32.626 32.257 0.369 18521 6174 1 7 . 1 1 61 61 LYS H H 61 7.853 7.853 8.152 -0.299 18521 6175 1 7 . 1 1 62 62 GLU N N 62 121.166 121.166 117.167 3.999 18521 6176 1 7 . 1 1 62 62 GLU HA H 62 3.933 3.933 4.024 -0.091 18521 6177 1 7 . 1 1 62 62 GLU C C 62 178.405 178.405 177.275 1.130 18521 6178 1 7 . 1 1 62 62 GLU CA C 62 58.655 58.655 58.428 0.226 18521 6179 1 7 . 1 1 62 62 GLU CB C 62 29.439 29.439 29.640 -0.201 18521 6180 1 7 . 1 1 62 62 GLU H H 62 7.956 7.956 7.506 0.450 18521 6181 1 7 . 1 1 63 63 ILE N N 63 117.896 117.896 116.966 0.930 18521 6182 1 7 . 1 1 63 63 ILE HA H 63 3.707 3.707 4.146 -0.439 18521 6183 1 7 . 1 1 63 63 ILE C C 63 177.438 177.438 176.690 0.748 18521 6184 1 7 . 1 1 63 63 ILE CA C 63 61.473 61.473 60.291 1.182 18521 6185 1 7 . 1 1 63 63 ILE CB C 63 36.546 36.546 38.926 -2.380 18521 6186 1 7 . 1 1 63 63 ILE H H 63 7.652 7.652 7.373 0.279 18521 6187 1 7 . 1 1 64 64 GLY N N 64 108.028 108.028 109.535 -1.507 18521 6188 1 7 . 1 1 64 64 GLY C C 64 175.261 175.261 175.256 0.005 18521 6189 1 7 . 1 1 64 64 GLY CA C 64 45.891 45.891 46.801 -0.910 18521 6190 1 7 . 1 1 64 64 GLY H H 64 7.654 7.654 8.170 -0.516 18521 6191 1 7 . 1 1 65 65 GLY N N 65 108.488 108.488 107.566 0.922 18521 6192 1 7 . 1 1 65 65 GLY C C 65 174.844 174.844 175.281 -0.437 18521 6193 1 7 . 1 1 65 65 GLY CA C 65 45.608 45.608 45.111 0.497 18521 6194 1 7 . 1 1 65 65 GLY H H 65 7.817 7.817 8.208 -0.391 18521 6195 1 7 . 1 1 66 66 GLU N N 66 121.078 121.078 118.756 2.322 18521 6196 1 7 . 1 1 66 66 GLU HA H 66 4.167 4.167 4.094 0.073 18521 6197 1 7 . 1 1 66 66 GLU C C 66 177.218 177.218 176.895 0.323 18521 6198 1 7 . 1 1 66 66 GLU CA C 66 57.075 57.075 58.783 -1.708 18521 6199 1 7 . 1 1 66 66 GLU CB C 66 30.015 30.015 29.862 0.153 18521 6200 1 7 . 1 1 66 66 GLU H H 66 8.195 8.195 8.683 -0.488 18521 6201 1 7 . 1 1 67 67 SER N N 67 116.370 116.370 110.307 6.063 18521 6202 1 7 . 1 1 67 67 SER HA H 67 4.187 4.187 4.477 -0.290 18521 6203 1 7 . 1 1 67 67 SER C C 67 174.670 174.670 175.193 -0.523 18521 6204 1 7 . 1 1 67 67 SER CA C 67 58.875 58.875 60.162 -1.287 18521 6205 1 7 . 1 1 67 67 SER CB C 67 63.783 63.783 63.704 0.079 18521 6206 1 7 . 1 1 67 67 SER H H 67 8.205 8.205 8.195 0.010 18521 6207 1 7 . 1 1 68 68 GLU N N 68 122.388 122.388 122.315 0.073 18521 6208 1 7 . 1 1 68 68 GLU HA H 68 4.173 4.173 4.098 0.075 18521 6209 1 7 . 1 1 68 68 GLU C C 68 176.364 176.364 177.962 -1.598 18521 6210 1 7 . 1 1 68 68 GLU CA C 68 56.734 56.734 58.921 -2.187 18521 6211 1 7 . 1 1 68 68 GLU CB C 68 29.986 29.986 29.376 0.610 18521 6212 1 7 . 1 1 68 68 GLU H H 68 8.170 8.170 8.746 -0.576 18521 6213 1 7 . 1 1 69 69 ALA N N 69 124.265 124.265 121.178 3.087 18521 6214 1 7 . 1 1 69 69 ALA HA H 69 4.212 4.212 4.053 0.159 18521 6215 1 7 . 1 1 69 69 ALA C C 69 178.042 178.042 179.126 -1.084 18521 6216 1 7 . 1 1 69 69 ALA CA C 69 52.468 52.468 55.022 -2.554 18521 6217 1 7 . 1 1 69 69 ALA CB C 69 19.411 19.411 18.259 1.152 18521 6218 1 7 . 1 1 69 69 ALA H H 69 7.931 7.931 8.277 -0.346 18521 6219 1 7 . 1 1 70 70 GLU N N 70 121.086 121.086 117.375 3.711 18521 6220 1 7 . 1 1 70 70 GLU HA H 70 4.110 4.110 4.040 0.070 18521 6221 1 7 . 1 1 70 70 GLU C C 70 180.047 180.047 178.586 1.461 18521 6222 1 7 . 1 1 70 70 GLU CA C 70 57.325 57.325 58.912 -1.587 18521 6223 1 7 . 1 1 70 70 GLU CB C 70 29.969 29.969 28.788 1.181 18521 6224 1 7 . 1 1 70 70 GLU H H 70 8.447 8.447 7.776 0.671 18521 6225 1 7 . 1 1 71 71 ASP N N 71 120.210 120.210 118.606 1.604 18521 6226 1 7 . 1 1 71 71 ASP HA H 71 4.545 4.545 4.537 0.008 18521 6227 1 7 . 1 1 71 71 ASP C C 71 176.385 176.385 176.899 -0.514 18521 6228 1 7 . 1 1 71 71 ASP CA C 71 54.149 54.149 56.451 -2.302 18521 6229 1 7 . 1 1 71 71 ASP CB C 71 40.756 40.756 41.242 -0.486 18521 6230 1 7 . 1 1 71 71 ASP H H 71 8.308 8.308 7.644 0.664 18521 6231 1 7 . 1 1 72 72 SER N N 72 116.137 116.137 111.833 4.304 18521 6232 1 7 . 1 1 72 72 SER HA H 72 4.259 4.259 4.525 -0.266 18521 6233 1 7 . 1 1 72 72 SER C C 72 174.578 174.578 173.128 1.450 18521 6234 1 7 . 1 1 72 72 SER CA C 72 58.851 58.851 58.192 0.659 18521 6235 1 7 . 1 1 72 72 SER CB C 72 63.870 63.870 63.179 0.690 18521 6236 1 7 . 1 1 72 72 SER H H 72 7.954 7.954 7.509 0.445 18521 6237 1 7 . 1 1 73 73 ASP N N 73 122.500 122.500 125.589 -3.089 18521 6238 1 7 . 1 1 73 73 ASP HA H 73 4.534 4.534 4.285 0.249 18521 6239 1 7 . 1 1 73 73 ASP C C 73 176.903 176.903 177.709 -0.806 18521 6240 1 7 . 1 1 73 73 ASP CA C 73 54.442 54.442 56.655 -2.213 18521 6241 1 7 . 1 1 73 73 ASP CB C 73 41.253 41.253 40.875 0.378 18521 6242 1 7 . 1 1 73 73 ASP H H 73 8.384 8.384 8.806 -0.422 18521 6243 1 7 . 1 1 74 74 LYS N N 74 123.374 123.374 119.356 4.018 18521 6244 1 7 . 1 1 74 74 LYS HA H 74 4.099 4.099 3.972 0.127 18521 6245 1 7 . 1 1 74 74 LYS C C 74 177.606 177.606 178.949 -1.343 18521 6246 1 7 . 1 1 74 74 LYS CA C 74 57.527 57.527 59.934 -2.407 18521 6247 1 7 . 1 1 74 74 LYS CB C 74 32.115 32.115 32.139 -0.024 18521 6248 1 7 . 1 1 74 74 LYS H H 74 8.338 8.338 8.445 -0.107 18521 6249 1 7 . 1 1 75 75 SER N N 75 116.404 116.404 114.964 1.440 18521 6250 1 7 . 1 1 75 75 SER HA H 75 4.190 4.190 4.254 -0.064 18521 6251 1 7 . 1 1 75 75 SER C C 75 176.030 176.030 176.869 -0.839 18521 6252 1 7 . 1 1 75 75 SER CA C 75 60.560 60.560 60.892 -0.332 18521 6253 1 7 . 1 1 75 75 SER CB C 75 62.971 62.971 63.293 -0.322 18521 6254 1 7 . 1 1 75 75 SER H H 75 8.409 8.409 7.697 0.712 18521 6255 1 7 . 1 1 76 76 LEU N N 76 123.753 123.753 123.691 0.062 18521 6256 1 7 . 1 1 76 76 LEU HA H 76 4.121 4.121 4.026 0.095 18521 6257 1 7 . 1 1 76 76 LEU C C 76 178.263 178.263 178.034 0.229 18521 6258 1 7 . 1 1 76 76 LEU CA C 76 56.665 56.665 56.982 -0.317 18521 6259 1 7 . 1 1 76 76 LEU CB C 76 41.538 41.538 41.663 -0.125 18521 6260 1 7 . 1 1 76 76 LEU H H 76 8.068 8.068 8.317 -0.249 18521 6261 1 7 . 1 1 77 77 HIS N N 77 120.235 120.235 119.472 0.763 18521 6262 1 7 . 1 1 77 77 HIS HA H 77 4.372 4.372 4.169 0.203 18521 6263 1 7 . 1 1 77 77 HIS C C 77 177.974 177.974 177.554 0.420 18521 6264 1 7 . 1 1 77 77 HIS CA C 77 58.504 58.504 60.008 -1.504 18521 6265 1 7 . 1 1 77 77 HIS CB C 77 30.124 30.124 29.748 0.376 18521 6266 1 7 . 1 1 77 77 HIS H H 77 7.955 7.955 8.779 -0.824 18521 6267 1 7 . 1 1 78 78 VAL N N 78 121.721 121.721 120.262 1.459 18521 6268 1 7 . 1 1 78 78 VAL HA H 78 3.612 3.612 3.642 -0.030 18521 6269 1 7 . 1 1 78 78 VAL C C 78 177.688 177.688 177.757 -0.069 18521 6270 1 7 . 1 1 78 78 VAL CA C 78 65.817 65.817 65.834 -0.017 18521 6271 1 7 . 1 1 78 78 VAL CB C 78 31.729 31.729 31.413 0.316 18521 6272 1 7 . 1 1 78 78 VAL H H 78 7.953 7.953 7.477 0.476 18521 6273 1 7 . 1 1 79 79 MET N N 79 119.138 119.138 119.171 -0.033 18521 6274 1 7 . 1 1 79 79 MET HA H 79 3.879 3.879 3.944 -0.065 18521 6275 1 7 . 1 1 79 79 MET C C 79 180.609 180.609 178.054 2.555 18521 6276 1 7 . 1 1 79 79 MET CA C 79 59.210 59.210 59.303 -0.093 18521 6277 1 7 . 1 1 79 79 MET CB C 79 34.157 34.157 32.212 1.945 18521 6278 1 7 . 1 1 79 79 MET H H 79 8.132 8.132 7.877 0.255 18521 6279 1 7 . 1 1 80 80 ASN N N 80 117.000 117.000 117.422 -0.422 18521 6280 1 7 . 1 1 80 80 ASN HA H 80 4.161 4.161 4.587 -0.426 18521 6281 1 7 . 1 1 80 80 ASN C C 80 178.212 178.212 177.614 0.598 18521 6282 1 7 . 1 1 80 80 ASN CA C 80 56.827 56.827 56.145 0.682 18521 6283 1 7 . 1 1 80 80 ASN CB C 80 38.920 38.920 37.586 1.334 18521 6284 1 7 . 1 1 80 80 ASN H H 80 8.195 8.195 8.512 -0.317 18521 6285 1 7 . 1 1 81 81 THR N N 81 116.021 116.021 117.510 -1.489 18521 6286 1 7 . 1 1 81 81 THR HA H 81 3.975 3.975 3.945 0.030 18521 6287 1 7 . 1 1 81 81 THR C C 81 175.237 175.237 176.364 -1.127 18521 6288 1 7 . 1 1 81 81 THR CA C 81 66.507 66.507 66.383 0.124 18521 6289 1 7 . 1 1 81 81 THR CB C 81 68.813 68.813 68.577 0.236 18521 6290 1 7 . 1 1 81 81 THR H H 81 7.952 7.952 7.819 0.133 18521 6291 1 7 . 1 1 82 82 LEU N N 82 119.041 119.041 120.402 -1.361 18521 6292 1 7 . 1 1 82 82 LEU HA H 82 4.040 4.040 4.105 -0.065 18521 6293 1 7 . 1 1 82 82 LEU C C 82 177.541 177.541 178.254 -0.713 18521 6294 1 7 . 1 1 82 82 LEU CA C 82 56.468 56.468 57.632 -1.164 18521 6295 1 7 . 1 1 82 82 LEU CB C 82 42.247 42.247 41.939 0.308 18521 6296 1 7 . 1 1 82 82 LEU H H 82 7.655 7.655 7.526 0.129 18521 6297 1 7 . 1 1 83 83 ILE N N 83 118.063 118.063 115.198 2.865 18521 6298 1 7 . 1 1 83 83 ILE HA H 83 3.805 3.805 3.966 -0.161 18521 6299 1 7 . 1 1 83 83 ILE C C 83 176.681 176.681 178.308 -1.627 18521 6300 1 7 . 1 1 83 83 ILE CA C 83 63.188 63.188 63.703 -0.515 18521 6301 1 7 . 1 1 83 83 ILE CB C 83 37.939 37.939 38.494 -0.555 18521 6302 1 7 . 1 1 83 83 ILE H H 83 7.455 7.455 7.187 0.268 18521 6303 1 7 . 1 1 84 84 HIS N N 84 116.118 116.118 116.412 -0.294 18521 6304 1 7 . 1 1 84 84 HIS HA H 84 4.568 4.568 4.454 0.114 18521 6305 1 7 . 1 1 84 84 HIS C C 84 175.568 175.568 175.486 0.082 18521 6306 1 7 . 1 1 84 84 HIS CA C 84 58.425 58.425 58.895 -0.470 18521 6307 1 7 . 1 1 84 84 HIS CB C 84 31.801 31.801 30.837 0.964 18521 6308 1 7 . 1 1 84 84 HIS H H 84 7.168 7.168 8.877 -1.709 18521 6309 1 7 . 1 1 85 85 ASP N N 85 122.411 122.411 119.804 2.607 18521 6310 1 7 . 1 1 85 85 ASP HA H 85 4.546 4.546 4.724 -0.178 18521 6311 1 7 . 1 1 85 85 ASP C C 85 175.527 175.527 176.826 -1.299 18521 6312 1 7 . 1 1 85 85 ASP CA C 85 53.215 53.215 53.375 -0.160 18521 6313 1 7 . 1 1 85 85 ASP CB C 85 40.936 40.936 40.760 0.176 18521 6314 1 7 . 1 1 85 85 ASP H H 85 8.576 8.576 7.962 0.614 18521 6315 1 7 . 1 1 86 86 GLN N N 86 122.561 122.561 126.776 -4.215 18521 6316 1 7 . 1 1 86 86 GLN HA H 86 4.077 4.077 4.226 -0.149 18521 6317 1 7 . 1 1 86 86 GLN C C 86 178.518 178.518 178.184 0.334 18521 6318 1 7 . 1 1 86 86 GLN CA C 86 57.816 57.816 58.675 -0.859 18521 6319 1 7 . 1 1 86 86 GLN CB C 86 29.165 29.165 28.818 0.347 18521 6320 1 7 . 1 1 86 86 GLN H H 86 8.715 8.715 8.494 0.221 18521 6321 1 7 . 1 1 87 87 GLU N N 87 121.616 121.616 120.299 1.317 18521 6322 1 7 . 1 1 87 87 GLU HA H 87 4.042 4.042 3.701 0.341 18521 6323 1 7 . 1 1 87 87 GLU C C 87 178.154 178.154 178.211 -0.057 18521 6324 1 7 . 1 1 87 87 GLU CA C 87 59.051 59.051 59.602 -0.551 18521 6325 1 7 . 1 1 87 87 GLU CB C 87 29.231 29.231 29.011 0.220 18521 6326 1 7 . 1 1 87 87 GLU H H 87 8.073 8.073 7.860 0.213 18521 6327 1 7 . 1 1 88 88 LYS N N 88 119.006 119.006 119.213 -0.207 18521 6328 1 7 . 1 1 88 88 LYS HA H 88 3.754 3.754 4.036 -0.282 18521 6329 1 7 . 1 1 88 88 LYS C C 88 177.129 177.129 178.623 -1.494 18521 6330 1 7 . 1 1 88 88 LYS CA C 88 59.721 59.721 59.129 0.592 18521 6331 1 7 . 1 1 88 88 LYS CB C 88 32.253 32.253 32.226 0.027 18521 6332 1 7 . 1 1 88 88 LYS H H 88 7.525 7.525 8.344 -0.819 18521 6333 1 7 . 1 1 89 89 ALA N N 89 121.945 121.945 121.462 0.483 18521 6334 1 7 . 1 1 89 89 ALA HA H 89 3.734 3.734 4.038 -0.304 18521 6335 1 7 . 1 1 89 89 ALA C C 89 177.545 177.545 178.949 -1.404 18521 6336 1 7 . 1 1 89 89 ALA CA C 89 55.977 55.977 55.132 0.845 18521 6337 1 7 . 1 1 89 89 ALA CB C 89 18.763 18.763 18.039 0.724 18521 6338 1 7 . 1 1 89 89 ALA H H 89 8.472 8.472 7.833 0.639 18521 6339 1 7 . 1 1 90 90 LYS N N 90 117.743 117.743 118.818 -1.075 18521 6340 1 7 . 1 1 90 90 LYS HA H 90 4.015 4.015 2.626 1.389 18521 6341 1 7 . 1 1 90 90 LYS C C 90 177.667 177.667 178.502 -0.835 18521 6342 1 7 . 1 1 90 90 LYS CA C 90 58.703 58.703 58.517 0.186 18521 6343 1 7 . 1 1 90 90 LYS CB C 90 32.779 32.779 31.312 1.466 18521 6344 1 7 . 1 1 90 90 LYS H H 90 6.684 6.684 7.412 -0.728 18521 6345 1 7 . 1 1 91 91 ILE N N 91 117.216 117.216 118.755 -1.539 18521 6346 1 7 . 1 1 91 91 ILE HA H 91 3.414 3.414 3.595 -0.181 18521 6347 1 7 . 1 1 91 91 ILE C C 91 178.422 178.422 177.912 0.510 18521 6348 1 7 . 1 1 91 91 ILE CA C 91 64.094 64.094 64.959 -0.865 18521 6349 1 7 . 1 1 91 91 ILE CB C 91 37.481 37.481 37.764 -0.283 18521 6350 1 7 . 1 1 91 91 ILE H H 91 7.196 7.196 7.294 -0.098 18521 6351 1 7 . 1 1 92 92 TYR N N 92 122.201 122.201 120.800 1.401 18521 6352 1 7 . 1 1 92 92 TYR HA H 92 4.047 4.047 4.055 -0.008 18521 6353 1 7 . 1 1 92 92 TYR C C 92 177.726 177.726 177.423 0.303 18521 6354 1 7 . 1 1 92 92 TYR CA C 92 61.771 61.771 61.531 0.241 18521 6355 1 7 . 1 1 92 92 TYR CB C 92 39.295 39.295 38.421 0.874 18521 6356 1 7 . 1 1 92 92 TYR H H 92 8.466 8.466 7.471 0.995 18521 6357 1 7 . 1 1 93 93 MET N N 93 117.420 117.420 119.541 -2.121 18521 6358 1 7 . 1 1 93 93 MET HA H 93 3.896 3.896 3.944 -0.048 18521 6359 1 7 . 1 1 93 93 MET C C 93 180.221 180.221 177.828 2.393 18521 6360 1 7 . 1 1 93 93 MET CA C 93 57.586 57.586 58.027 -0.441 18521 6361 1 7 . 1 1 93 93 MET CB C 93 30.854 30.854 32.252 -1.398 18521 6362 1 7 . 1 1 93 93 MET H H 93 8.269 8.269 8.517 -0.248 18521 6363 1 7 . 1 1 94 94 LEU N N 94 125.183 125.183 120.261 4.922 18521 6364 1 7 . 1 1 94 94 LEU HA H 94 3.826 3.826 3.868 -0.042 18521 6365 1 7 . 1 1 94 94 LEU C C 94 177.787 177.787 178.130 -0.343 18521 6366 1 7 . 1 1 94 94 LEU CA C 94 58.729 58.729 58.504 0.225 18521 6367 1 7 . 1 1 94 94 LEU CB C 94 42.188 42.188 41.435 0.753 18521 6368 1 7 . 1 1 94 94 LEU H H 94 8.733 8.733 8.325 0.408 18521 6369 1 7 . 1 1 95 95 ASN N N 95 121.517 121.517 118.478 3.039 18521 6370 1 7 . 1 1 95 95 ASN HA H 95 4.184 4.184 4.334 -0.150 18521 6371 1 7 . 1 1 95 95 ASN C C 95 178.481 178.481 177.286 1.195 18521 6372 1 7 . 1 1 95 95 ASN CA C 95 56.312 56.312 56.048 0.264 18521 6373 1 7 . 1 1 95 95 ASN H H 95 8.951 8.951 7.858 1.093 18521 6374 1 7 . 1 1 96 96 PHE N N 96 122.778 122.778 121.120 1.658 18521 6375 1 7 . 1 1 96 96 PHE HA H 96 4.341 4.341 4.261 0.080 18521 6376 1 7 . 1 1 96 96 PHE C C 96 177.925 177.925 177.694 0.231 18521 6377 1 7 . 1 1 96 96 PHE CA C 96 62.427 62.427 61.481 0.946 18521 6378 1 7 . 1 1 96 96 PHE H H 96 8.454 8.454 8.074 0.380 18521 6379 1 7 . 1 1 97 97 THR N N 97 117.115 117.115 116.405 0.710 18521 6380 1 7 . 1 1 97 97 THR HA H 97 3.369 3.369 3.823 -0.454 18521 6381 1 7 . 1 1 97 97 THR C C 97 176.185 176.185 176.589 -0.404 18521 6382 1 7 . 1 1 97 97 THR CA C 97 68.090 68.090 66.797 1.292 18521 6383 1 7 . 1 1 97 97 THR CB C 97 68.087 68.087 68.341 -0.254 18521 6384 1 7 . 1 1 97 97 THR H H 97 8.209 8.209 8.634 -0.425 18521 6385 1 7 . 1 1 98 98 MET N N 98 119.373 119.373 120.611 -1.238 18521 6386 1 7 . 1 1 98 98 MET HA H 98 4.360 4.360 4.236 0.124 18521 6387 1 7 . 1 1 98 98 MET C C 98 177.887 177.887 178.307 -0.420 18521 6388 1 7 . 1 1 98 98 MET CA C 98 58.143 58.143 57.252 0.891 18521 6389 1 7 . 1 1 98 98 MET CB C 98 31.948 31.948 31.145 0.803 18521 6390 1 7 . 1 1 98 98 MET H H 98 8.958 8.958 8.806 0.152 18521 6391 1 7 . 1 1 99 99 SER N N 99 114.517 114.517 116.412 -1.895 18521 6392 1 7 . 1 1 99 99 SER HA H 99 4.043 4.043 4.051 -0.008 18521 6393 1 7 . 1 1 99 99 SER C C 99 176.195 176.195 176.692 -0.497 18521 6394 1 7 . 1 1 99 99 SER CA C 99 62.481 62.481 61.456 1.026 18521 6395 1 7 . 1 1 99 99 SER CB C 99 62.692 62.692 63.121 -0.429 18521 6396 1 7 . 1 1 99 99 SER H H 99 7.708 7.708 8.730 -1.022 18521 6397 1 7 . 1 1 100 100 LEU N N 100 125.126 125.126 123.342 1.784 18521 6398 1 7 . 1 1 100 100 LEU HA H 100 3.913 3.913 3.931 -0.018 18521 6399 1 7 . 1 1 100 100 LEU C C 100 177.327 177.327 178.131 -0.804 18521 6400 1 7 . 1 1 100 100 LEU CA C 100 58.005 58.005 57.458 0.547 18521 6401 1 7 . 1 1 100 100 LEU CB C 100 41.841 41.841 41.365 0.476 18521 6402 1 7 . 1 1 100 100 LEU H H 100 7.277 7.277 7.745 -0.468 18521 6403 1 7 . 1 1 101 101 TYR N N 101 120.940 120.940 119.638 1.302 18521 6404 1 7 . 1 1 101 101 TYR HA H 101 4.143 4.143 4.210 -0.067 18521 6405 1 7 . 1 1 101 101 TYR C C 101 176.784 176.784 177.407 -0.623 18521 6406 1 7 . 1 1 101 101 TYR CA C 101 61.543 61.543 60.119 1.424 18521 6407 1 7 . 1 1 101 101 TYR CB C 101 40.909 40.909 38.215 2.694 18521 6408 1 7 . 1 1 101 101 TYR H H 101 8.858 8.858 8.681 0.177 18521 6409 1 7 . 1 1 102 102 ASN N N 102 119.067 119.067 117.199 1.868 18521 6410 1 7 . 1 1 102 102 ASN HA H 102 4.116 4.116 4.095 0.021 18521 6411 1 7 . 1 1 102 102 ASN C C 102 178.713 178.713 177.437 1.276 18521 6412 1 7 . 1 1 102 102 ASN CA C 102 55.734 55.734 55.909 -0.175 18521 6413 1 7 . 1 1 102 102 ASN H H 102 8.700 8.700 8.739 -0.039 18521 6414 1 7 . 1 1 103 103 GLU N N 103 119.558 119.558 119.451 0.107 18521 6415 1 7 . 1 1 103 103 GLU HA H 103 3.944 3.944 3.960 -0.016 18521 6416 1 7 . 1 1 103 103 GLU C C 103 179.012 179.012 178.939 0.073 18521 6417 1 7 . 1 1 103 103 GLU CA C 103 59.506 59.506 59.226 0.280 18521 6418 1 7 . 1 1 103 103 GLU CB C 103 29.349 29.349 29.130 0.219 18521 6419 1 7 . 1 1 103 103 GLU H H 103 7.599 7.599 7.832 -0.233 18521 6420 1 7 . 1 1 104 104 LYS N N 104 120.218 120.218 119.073 1.145 18521 6421 1 7 . 1 1 104 104 LYS HA H 104 4.051 4.051 4.115 -0.064 18521 6422 1 7 . 1 1 104 104 LYS C C 104 178.477 178.477 179.193 -0.716 18521 6423 1 7 . 1 1 104 104 LYS CA C 104 56.534 56.534 58.056 -1.522 18521 6424 1 7 . 1 1 104 104 LYS CB C 104 29.108 29.108 32.106 -2.998 18521 6425 1 7 . 1 1 104 104 LYS H H 104 8.311 8.311 7.435 0.876 18521 6426 1 7 . 1 1 105 105 LEU N N 105 122.110 122.110 119.891 2.219 18521 6427 1 7 . 1 1 105 105 LEU HA H 105 3.774 3.774 3.842 -0.068 18521 6428 1 7 . 1 1 105 105 LEU C C 105 180.224 180.224 178.728 1.496 18521 6429 1 7 . 1 1 105 105 LEU CA C 105 58.148 58.148 57.510 0.638 18521 6430 1 7 . 1 1 105 105 LEU CB C 105 42.394 42.394 41.152 1.242 18521 6431 1 7 . 1 1 105 105 LEU H H 105 8.604 8.604 7.840 0.764 18521 6432 1 7 . 1 1 106 106 LYS N N 106 119.031 119.031 119.442 -0.411 18521 6433 1 7 . 1 1 106 106 LYS HA H 106 4.035 4.035 3.784 0.251 18521 6434 1 7 . 1 1 106 106 LYS C C 106 178.496 178.496 178.912 -0.416 18521 6435 1 7 . 1 1 106 106 LYS CA C 106 59.820 59.820 59.461 0.359 18521 6436 1 7 . 1 1 106 106 LYS CB C 106 31.956 31.956 32.128 -0.172 18521 6437 1 7 . 1 1 106 106 LYS H H 106 7.339 7.339 7.903 -0.564 18521 6438 1 7 . 1 1 107 107 GLN N N 107 121.417 121.417 117.853 3.564 18521 6439 1 7 . 1 1 107 107 GLN HA H 107 3.744 3.744 3.776 -0.032 18521 6440 1 7 . 1 1 107 107 GLN C C 107 178.103 178.103 178.831 -0.728 18521 6441 1 7 . 1 1 107 107 GLN CA C 107 58.582 58.582 58.236 0.346 18521 6442 1 7 . 1 1 107 107 GLN CB C 107 26.969 26.969 28.354 -1.385 18521 6443 1 7 . 1 1 107 107 GLN H H 107 7.590 7.590 7.448 0.142 18521 6444 1 7 . 1 1 108 108 LEU N N 108 120.629 120.629 119.257 1.372 18521 6445 1 7 . 1 1 108 108 LEU HA H 108 3.806 3.806 4.435 -0.629 18521 6446 1 7 . 1 1 108 108 LEU C C 108 178.978 178.978 178.196 0.782 18521 6447 1 7 . 1 1 108 108 LEU CA C 108 58.306 58.306 57.562 0.744 18521 6448 1 7 . 1 1 108 108 LEU CB C 108 42.112 42.112 41.811 0.301 18521 6449 1 7 . 1 1 108 108 LEU H H 108 8.450 8.450 7.627 0.823 18521 6450 1 7 . 1 1 109 109 LYS N N 109 119.584 119.584 117.357 2.227 18521 6451 1 7 . 1 1 109 109 LYS HA H 109 4.166 4.166 4.078 0.088 18521 6452 1 7 . 1 1 109 109 LYS C C 109 177.859 177.859 177.083 0.776 18521 6453 1 7 . 1 1 109 109 LYS CA C 109 58.746 58.746 58.693 0.053 18521 6454 1 7 . 1 1 109 109 LYS CB C 109 32.637 32.637 32.753 -0.116 18521 6455 1 7 . 1 1 109 109 LYS H H 109 7.295 7.295 7.696 -0.401 18521 6456 1 7 . 1 1 110 110 ASP N N 110 116.950 116.950 113.227 3.723 18521 6457 1 7 . 1 1 110 110 ASP HA H 110 4.604 4.604 4.970 -0.366 18521 6458 1 7 . 1 1 110 110 ASP C C 110 177.157 177.157 174.971 2.186 18521 6459 1 7 . 1 1 110 110 ASP CA C 110 55.768 55.768 54.398 1.370 18521 6460 1 7 . 1 1 110 110 ASP CB C 110 42.724 42.724 43.270 -0.546 18521 6461 1 7 . 1 1 110 110 ASP H H 110 7.807 7.807 7.722 0.085 18521 6462 1 7 . 1 1 111 111 GLY N N 111 114.046 114.046 110.125 3.921 18521 6463 1 7 . 1 1 111 111 GLY CA C 111 41.845 41.845 44.243 -2.398 18521 6464 1 7 . 1 1 111 111 GLY H H 111 8.554 8.554 7.363 1.191 18521 6465 1 7 . 1 1 112 112 PRO HA H 112 4.552 4.552 4.139 0.413 18521 6466 1 7 . 1 1 112 112 PRO C C 112 174.967 174.967 175.738 -0.771 18521 6467 1 7 . 1 1 112 112 PRO CA C 112 61.222 61.222 62.733 -1.511 18521 6468 1 7 . 1 1 112 112 PRO CB C 112 35.056 35.056 32.181 2.875 18521 6469 1 7 . 1 1 113 113 TRP N N 113 123.139 123.139 124.133 -0.994 18521 6470 1 7 . 1 1 113 113 TRP HA H 113 4.650 4.650 4.809 -0.159 18521 6471 1 7 . 1 1 113 113 TRP C C 113 174.604 174.604 175.244 -0.640 18521 6472 1 7 . 1 1 113 113 TRP CA C 113 58.154 58.154 56.729 1.425 18521 6473 1 7 . 1 1 113 113 TRP CB C 113 27.048 27.048 31.471 -4.423 18521 6474 1 7 . 1 1 113 113 TRP H H 113 8.671 8.671 8.687 -0.016 18521 6475 1 7 . 1 1 114 114 ASP N N 114 121.440 121.440 118.749 2.691 18521 6476 1 7 . 1 1 114 114 ASP HA H 114 4.930 4.930 4.700 0.230 18521 6477 1 7 . 1 1 114 114 ASP C C 114 176.979 176.979 176.431 0.548 18521 6478 1 7 . 1 1 114 114 ASP CA C 114 52.223 52.223 52.779 -0.556 18521 6479 1 7 . 1 1 114 114 ASP CB C 114 43.192 43.192 42.102 1.090 18521 6480 1 7 . 1 1 114 114 ASP H H 114 6.950 6.950 8.078 -1.128 18521 6481 1 7 . 1 1 115 115 VAL N N 115 118.386 118.386 120.344 -1.958 18521 6482 1 7 . 1 1 115 115 VAL HA H 115 3.825 3.825 3.790 0.035 18521 6483 1 7 . 1 1 115 115 VAL C C 115 177.760 177.760 178.188 -0.428 18521 6484 1 7 . 1 1 115 115 VAL CA C 115 65.611 65.611 65.190 0.421 18521 6485 1 7 . 1 1 115 115 VAL CB C 115 31.657 31.657 31.909 -0.252 18521 6486 1 7 . 1 1 115 115 VAL H H 115 8.181 8.181 8.441 -0.260 18521 6487 1 7 . 1 1 116 116 MET N N 116 120.354 120.354 118.057 2.297 18521 6488 1 7 . 1 1 116 116 MET HA H 116 4.284 4.284 4.143 0.141 18521 6489 1 7 . 1 1 116 116 MET C C 116 179.336 179.336 178.663 0.673 18521 6490 1 7 . 1 1 116 116 MET CA C 116 57.392 57.392 59.323 -1.931 18521 6491 1 7 . 1 1 116 116 MET CB C 116 30.450 30.450 31.941 -1.490 18521 6492 1 7 . 1 1 116 116 MET H H 116 7.661 7.661 8.002 -0.341 18521 6493 1 7 . 1 1 117 117 LEU N N 117 125.774 125.774 121.653 4.121 18521 6494 1 7 . 1 1 117 117 LEU HA H 117 4.129 4.129 4.163 -0.034 18521 6495 1 7 . 1 1 117 117 LEU C C 117 178.399 178.399 178.583 -0.184 18521 6496 1 7 . 1 1 117 117 LEU CA C 117 58.353 58.353 58.263 0.090 18521 6497 1 7 . 1 1 117 117 LEU CB C 117 40.392 40.392 41.670 -1.278 18521 6498 1 7 . 1 1 117 117 LEU H H 117 8.179 8.179 9.138 -0.959 18521 6499 1 7 . 1 1 118 118 LYS N N 118 118.471 118.471 119.403 -0.932 18521 6500 1 7 . 1 1 118 118 LYS HA H 118 3.824 3.824 3.963 -0.139 18521 6501 1 7 . 1 1 118 118 LYS C C 118 178.259 178.259 179.118 -0.859 18521 6502 1 7 . 1 1 118 118 LYS CA C 118 60.497 60.497 60.198 0.299 18521 6503 1 7 . 1 1 118 118 LYS CB C 118 32.355 32.355 32.536 -0.181 18521 6504 1 7 . 1 1 118 118 LYS H H 118 7.359 7.359 7.757 -0.398 18521 6505 1 7 . 1 1 119 119 ARG N N 119 117.838 117.838 118.662 -0.824 18521 6506 1 7 . 1 1 119 119 ARG HA H 119 4.158 4.158 4.263 -0.105 18521 6507 1 7 . 1 1 119 119 ARG C C 119 180.132 180.132 179.198 0.934 18521 6508 1 7 . 1 1 119 119 ARG CA C 119 59.535 59.535 59.538 -0.003 18521 6509 1 7 . 1 1 119 119 ARG CB C 119 29.994 29.994 30.452 -0.458 18521 6510 1 7 . 1 1 119 119 ARG H H 119 8.316 8.316 8.706 -0.390 18521 6511 1 7 . 1 1 120 120 SER N N 120 117.258 117.258 116.501 0.757 18521 6512 1 7 . 1 1 120 120 SER HA H 120 4.374 4.374 4.300 0.074 18521 6513 1 7 . 1 1 120 120 SER C C 120 176.034 176.034 176.608 -0.574 18521 6514 1 7 . 1 1 120 120 SER CA C 120 62.728 62.728 61.790 0.938 18521 6515 1 7 . 1 1 120 120 SER CB C 120 63.050 63.050 62.595 0.455 18521 6516 1 7 . 1 1 120 120 SER H H 120 8.598 8.598 8.724 -0.126 18521 6517 1 7 . 1 1 121 121 LEU N N 121 125.307 125.307 122.577 2.730 18521 6518 1 7 . 1 1 121 121 LEU HA H 121 4.192 4.192 4.154 0.038 18521 6519 1 7 . 1 1 121 121 LEU C C 121 179.621 179.621 178.680 0.941 18521 6520 1 7 . 1 1 121 121 LEU CA C 121 58.894 58.894 58.033 0.861 18521 6521 1 7 . 1 1 121 121 LEU CB C 121 41.188 41.188 41.513 -0.325 18521 6522 1 7 . 1 1 121 121 LEU H H 121 8.250 8.250 8.078 0.172 18521 6523 1 7 . 1 1 122 122 TRP N N 122 120.444 120.444 119.551 0.893 18521 6524 1 7 . 1 1 122 122 TRP HA H 122 4.368 4.368 4.333 0.035 18521 6525 1 7 . 1 1 122 122 TRP C C 122 176.943 176.943 178.616 -1.673 18521 6526 1 7 . 1 1 122 122 TRP CA C 122 61.452 61.452 61.795 -0.343 18521 6527 1 7 . 1 1 122 122 TRP CB C 122 29.823 29.823 29.109 0.714 18521 6528 1 7 . 1 1 122 122 TRP H H 122 7.873 7.873 7.701 0.172 18521 6529 1 7 . 1 1 123 123 CYS N N 123 120.188 120.188 119.310 0.878 18521 6530 1 7 . 1 1 123 123 CYS HA H 123 4.264 4.264 4.100 0.164 18521 6531 1 7 . 1 1 123 123 CYS C C 123 176.875 176.875 177.045 -0.170 18521 6532 1 7 . 1 1 123 123 CYS CA C 123 60.573 60.573 63.421 -2.848 18521 6533 1 7 . 1 1 123 123 CYS CB C 123 25.642 25.642 27.552 -1.910 18521 6534 1 7 . 1 1 123 123 CYS H H 123 8.271 8.271 7.911 0.360 18521 6535 1 7 . 1 1 124 124 CYS N N 124 116.760 116.760 119.280 -2.520 18521 6536 1 7 . 1 1 124 124 CYS HA H 124 3.880 3.880 4.000 -0.120 18521 6537 1 7 . 1 1 124 124 CYS C C 124 175.810 175.810 176.988 -1.178 18521 6538 1 7 . 1 1 124 124 CYS CA C 124 65.646 65.646 64.966 0.681 18521 6539 1 7 . 1 1 124 124 CYS CB C 124 28.069 28.069 27.728 0.341 18521 6540 1 7 . 1 1 124 124 CYS H H 124 8.208 8.208 7.982 0.226 18521 6541 1 7 . 1 1 125 125 ILE N N 125 121.167 121.167 121.164 0.003 18521 6542 1 7 . 1 1 125 125 ILE HA H 125 3.580 3.580 3.757 -0.177 18521 6543 1 7 . 1 1 125 125 ILE C C 125 179.302 179.302 177.627 1.675 18521 6544 1 7 . 1 1 125 125 ILE CA C 125 67.663 67.663 65.917 1.746 18521 6545 1 7 . 1 1 125 125 ILE CB C 125 37.988 37.988 37.534 0.454 18521 6546 1 7 . 1 1 125 125 ILE H H 125 8.073 8.073 8.188 -0.115 18521 6547 1 7 . 1 1 126 126 ASP N N 126 124.812 124.812 120.265 4.547 18521 6548 1 7 . 1 1 126 126 ASP HA H 126 4.622 4.622 4.485 0.137 18521 6549 1 7 . 1 1 126 126 ASP C C 126 178.091 178.091 178.995 -0.904 18521 6550 1 7 . 1 1 126 126 ASP CA C 126 58.885 58.885 57.184 1.701 18521 6551 1 7 . 1 1 126 126 ASP CB C 126 40.408 40.408 40.400 0.008 18521 6552 1 7 . 1 1 126 126 ASP H H 126 8.778 8.778 7.783 0.995 18521 6553 1 7 . 1 1 127 127 LEU N N 127 122.531 122.531 120.037 2.494 18521 6554 1 7 . 1 1 127 127 LEU HA H 127 3.841 3.841 3.809 0.032 18521 6555 1 7 . 1 1 127 127 LEU C C 127 179.582 179.582 178.934 0.648 18521 6556 1 7 . 1 1 127 127 LEU CA C 127 58.632 58.632 57.805 0.827 18521 6557 1 7 . 1 1 127 127 LEU CB C 127 42.680 42.680 41.559 1.121 18521 6558 1 7 . 1 1 127 127 LEU H H 127 8.888 8.888 7.551 1.337 18521 6559 1 7 . 1 1 128 128 ILE N N 128 121.311 121.311 118.916 2.395 18521 6560 1 7 . 1 1 128 128 ILE HA H 128 3.938 3.938 3.685 0.253 18521 6561 1 7 . 1 1 128 128 ILE C C 128 176.725 176.725 178.168 -1.443 18521 6562 1 7 . 1 1 128 128 ILE CA C 128 60.922 60.922 65.234 -4.312 18521 6563 1 7 . 1 1 128 128 ILE CB C 128 38.971 38.971 37.339 1.632 18521 6564 1 7 . 1 1 128 128 ILE H H 128 7.469 7.469 7.870 -0.401 18521 6565 1 7 . 1 1 129 129 ASN N N 129 122.727 122.727 118.415 4.312 18521 6566 1 7 . 1 1 129 129 ASN HA H 129 4.582 4.582 4.421 0.161 18521 6567 1 7 . 1 1 129 129 ASN C C 129 177.132 177.132 177.504 -0.372 18521 6568 1 7 . 1 1 129 129 ASN CA C 129 52.982 52.982 56.386 -3.405 18521 6569 1 7 . 1 1 129 129 ASN CB C 129 38.792 38.792 38.340 0.452 18521 6570 1 7 . 1 1 129 129 ASN H H 129 8.173 8.173 8.118 0.055 18521 6571 1 7 . 1 1 130 130 ILE N N 130 120.527 120.527 122.281 -1.754 18521 6572 1 7 . 1 1 130 130 ILE HA H 130 4.305 4.305 2.978 1.327 18521 6573 1 7 . 1 1 130 130 ILE C C 130 175.796 175.796 177.640 -1.844 18521 6574 1 7 . 1 1 130 130 ILE CA C 130 61.246 61.246 64.437 -3.191 18521 6575 1 7 . 1 1 130 130 ILE CB C 130 38.797 38.797 36.075 2.722 18521 6576 1 7 . 1 1 130 130 ILE H H 130 8.096 8.096 7.259 0.837 18521 6577 1 7 . 1 1 131 131 ASP N N 131 122.165 122.165 120.559 1.606 18521 6578 1 7 . 1 1 131 131 ASP HA H 131 4.416 4.416 4.009 0.407 18521 6579 1 7 . 1 1 131 131 ASP C C 131 176.750 176.750 178.290 -1.540 18521 6580 1 7 . 1 1 131 131 ASP CA C 131 55.955 55.955 58.513 -2.558 18521 6581 1 7 . 1 1 131 131 ASP CB C 131 41.117 41.117 40.652 0.465 18521 6582 1 7 . 1 1 131 131 ASP H H 131 8.157 8.157 7.743 0.414 18521 6583 1 7 . 1 1 132 132 LYS N N 132 119.537 119.537 118.041 1.496 18521 6584 1 7 . 1 1 132 132 LYS HA H 132 4.373 4.373 3.966 0.407 18521 6585 1 7 . 1 1 132 132 LYS C C 132 176.405 176.405 178.347 -1.942 18521 6586 1 7 . 1 1 132 132 LYS CA C 132 55.699 55.699 59.217 -3.518 18521 6587 1 7 . 1 1 132 132 LYS CB C 132 32.822 32.822 32.198 0.624 18521 6588 1 7 . 1 1 132 132 LYS H H 132 8.023 8.023 7.649 0.374 18521 6589 1 7 . 1 1 133 133 LEU N N 133 120.242 120.242 120.252 -0.010 18521 6590 1 7 . 1 1 133 133 LEU HA H 133 4.158 4.158 4.300 -0.142 18521 6591 1 7 . 1 1 133 133 LEU C C 133 178.449 178.449 179.786 -1.337 18521 6592 1 7 . 1 1 133 133 LEU CA C 133 57.538 57.538 58.207 -0.669 18521 6593 1 7 . 1 1 133 133 LEU CB C 133 41.572 41.572 42.852 -1.280 18521 6594 1 7 . 1 1 133 133 LEU H H 133 8.024 8.024 7.767 0.257 18521 6595 1 7 . 1 1 134 134 GLN N N 134 117.985 117.985 117.751 0.234 18521 6596 1 7 . 1 1 134 134 GLN HA H 134 4.018 4.018 3.867 0.151 18521 6597 1 7 . 1 1 134 134 GLN C C 134 179.500 179.500 176.957 2.543 18521 6598 1 7 . 1 1 134 134 GLN CA C 134 58.175 58.175 57.926 0.249 18521 6599 1 7 . 1 1 134 134 GLN CB C 134 29.102 29.102 28.257 0.845 18521 6600 1 7 . 1 1 134 134 GLN H H 134 8.536 8.536 8.302 0.234 18521 6601 1 7 . 1 1 135 135 TRP N N 135 115.550 115.550 115.864 -0.314 18521 6602 1 7 . 1 1 135 135 TRP HA H 135 4.991 4.991 4.937 0.054 18521 6603 1 7 . 1 1 135 135 TRP C C 135 175.170 175.170 175.311 -0.141 18521 6604 1 7 . 1 1 135 135 TRP CA C 135 59.426 59.426 55.936 3.490 18521 6605 1 7 . 1 1 135 135 TRP CB C 135 26.894 26.894 28.201 -1.307 18521 6606 1 7 . 1 1 135 135 TRP H H 135 7.727 7.727 7.351 0.376 18521 6607 1 7 . 1 1 136 136 LYS N N 136 119.841 119.841 120.483 -0.642 18521 6608 1 7 . 1 1 136 136 LYS HA H 136 3.830 3.830 4.072 -0.242 18521 6609 1 7 . 1 1 136 136 LYS C C 136 178.330 178.330 178.803 -0.473 18521 6610 1 7 . 1 1 136 136 LYS CA C 136 60.194 60.194 60.177 0.017 18521 6611 1 7 . 1 1 136 136 LYS CB C 136 32.902 32.902 32.477 0.425 18521 6612 1 7 . 1 1 136 136 LYS H H 136 6.580 6.580 7.794 -1.214 18521 6613 1 7 . 1 1 137 137 GLU N N 137 115.250 115.250 115.953 -0.703 18521 6614 1 7 . 1 1 137 137 GLU HA H 137 4.177 4.177 4.149 0.028 18521 6615 1 7 . 1 1 137 137 GLU C C 137 176.698 176.698 177.152 -0.454 18521 6616 1 7 . 1 1 137 137 GLU CA C 137 57.766 57.766 58.410 -0.644 18521 6617 1 7 . 1 1 137 137 GLU CB C 137 29.221 29.221 29.338 -0.117 18521 6618 1 7 . 1 1 137 137 GLU H H 137 8.549 8.549 8.803 -0.254 18521 6619 1 7 . 1 1 138 138 ASN N N 138 116.578 116.578 115.376 1.202 18521 6620 1 7 . 1 1 138 138 ASN HA H 138 4.943 4.943 4.763 0.180 18521 6621 1 7 . 1 1 138 138 ASN C C 138 173.448 173.448 174.476 -1.028 18521 6622 1 7 . 1 1 138 138 ASN CA C 138 52.681 52.681 53.418 -0.737 18521 6623 1 7 . 1 1 138 138 ASN CB C 138 40.833 40.833 39.591 1.242 18521 6624 1 7 . 1 1 138 138 ASN H H 138 8.337 8.337 7.649 0.688 18521 6625 1 7 . 1 1 139 139 ILE N N 139 120.835 120.835 120.793 0.042 18521 6626 1 7 . 1 1 139 139 ILE HA H 139 4.339 4.339 4.275 0.064 18521 6627 1 7 . 1 1 139 139 ILE C C 139 175.219 175.219 175.189 0.030 18521 6628 1 7 . 1 1 139 139 ILE CA C 139 60.867 60.867 60.603 0.264 18521 6629 1 7 . 1 1 139 139 ILE CB C 139 40.270 40.270 39.832 0.438 18521 6630 1 7 . 1 1 139 139 ILE H H 139 7.138 7.138 7.248 -0.110 18521 6631 1 7 . 1 1 140 140 MET N N 140 123.319 123.319 122.202 1.117 18521 6632 1 7 . 1 1 140 140 MET HA H 140 4.324 4.324 4.497 -0.173 18521 6633 1 7 . 1 1 140 140 MET C C 140 177.931 177.931 177.080 0.851 18521 6634 1 7 . 1 1 140 140 MET CA C 140 58.511 58.511 54.853 3.658 18521 6635 1 7 . 1 1 140 140 MET CB C 140 65.156 65.156 64.151 1.005 18521 6636 1 7 . 1 1 140 140 MET H H 140 8.714 8.714 8.742 -0.028 18521 6637 1 7 . 1 1 141 141 LEU N N 141 120.610 120.610 123.540 -2.930 18521 6638 1 7 . 1 1 141 141 LEU HA H 141 4.047 4.047 4.055 -0.008 18521 6639 1 7 . 1 1 141 141 LEU C C 141 177.281 177.281 178.669 -1.388 18521 6640 1 7 . 1 1 141 141 LEU CA C 141 58.362 58.362 58.585 -0.223 18521 6641 1 7 . 1 1 141 141 LEU H H 141 8.333 8.333 8.966 -0.633 18521 6642 1 7 . 1 1 142 142 ASP N N 142 121.268 121.268 120.929 0.339 18521 6643 1 7 . 1 1 142 142 ASP HA H 142 4.415 4.415 4.658 -0.243 18521 6644 1 7 . 1 1 142 142 ASP C C 142 175.916 175.916 178.524 -2.608 18521 6645 1 7 . 1 1 142 142 ASP CA C 142 54.678 54.678 57.608 -2.930 18521 6646 1 7 . 1 1 142 142 ASP CB C 142 68.329 68.329 68.016 0.313 18521 6647 1 7 . 1 1 142 142 ASP H H 142 8.199 8.199 8.355 -0.156 18521 6648 1 7 . 1 1 143 143 LEU N N 143 120.218 120.218 121.976 -1.758 18521 6649 1 7 . 1 1 143 143 LEU HA H 143 4.108 4.108 4.106 0.002 18521 6650 1 7 . 1 1 143 143 LEU C C 143 176.205 176.205 179.008 -2.803 18521 6651 1 7 . 1 1 143 143 LEU CA C 143 57.314 57.314 58.144 -0.830 18521 6652 1 7 . 1 1 143 143 LEU CB C 143 39.700 39.700 41.323 -1.623 18521 6653 1 7 . 1 1 143 143 LEU H H 143 7.858 7.858 8.128 -0.270 18521 6654 1 7 . 1 1 144 144 ILE N N 144 121.582 121.582 124.893 -3.311 18521 6655 1 7 . 1 1 144 144 ILE HA H 144 4.083 4.083 3.776 0.307 18521 6656 1 7 . 1 1 144 144 ILE C C 144 177.130 177.130 177.928 -0.798 18521 6657 1 7 . 1 1 144 144 ILE CA C 144 60.697 60.697 66.797 -6.101 18521 6658 1 7 . 1 1 144 144 ILE CB C 144 38.565 38.565 37.551 1.014 18521 6659 1 7 . 1 1 144 144 ILE H H 144 7.948 7.948 8.170 -0.222 18521 6660 1 7 . 1 1 145 145 GLU N N 145 120.974 120.974 122.101 -1.127 18521 6661 1 7 . 1 1 145 145 GLU HA H 145 4.049 4.049 4.199 -0.150 18521 6662 1 7 . 1 1 145 145 GLU C C 145 179.664 179.664 179.068 0.596 18521 6663 1 7 . 1 1 145 145 GLU CA C 145 59.673 59.673 59.742 -0.069 18521 6664 1 7 . 1 1 145 145 GLU CB C 145 29.521 29.521 29.568 -0.047 18521 6665 1 7 . 1 1 145 145 GLU H H 145 7.869 7.869 7.910 -0.041 18521 6666 1 7 . 1 1 146 146 GLN N N 146 118.520 118.520 120.583 -2.063 18521 6667 1 7 . 1 1 146 146 GLN HA H 146 4.034 4.034 4.004 0.030 18521 6668 1 7 . 1 1 146 146 GLN C C 146 178.820 178.820 178.117 0.703 18521 6669 1 7 . 1 1 146 146 GLN CA C 146 58.720 58.720 58.861 -0.141 18521 6670 1 7 . 1 1 146 146 GLN CB C 146 29.312 29.312 28.723 0.589 18521 6671 1 7 . 1 1 146 146 GLN H H 146 8.407 8.407 7.548 0.859 18521 6672 1 7 . 1 1 147 147 GLY N N 147 108.998 108.998 110.212 -1.214 18521 6673 1 7 . 1 1 147 147 GLY HA H 147 3.471 3.471 3.828 -0.357 18521 6674 1 7 . 1 1 147 147 GLY C C 147 175.794 175.794 176.306 -0.512 18521 6675 1 7 . 1 1 147 147 GLY CA C 147 47.525 47.525 48.241 -0.716 18521 6676 1 7 . 1 1 147 147 GLY CB C 147 41.801 41.801 41.485 0.316 18521 6677 1 7 . 1 1 147 147 GLY H H 147 8.059 8.059 7.612 0.447 18521 6678 1 7 . 1 1 148 148 ASP N N 148 124.022 124.022 118.759 5.263 18521 6679 1 7 . 1 1 148 148 ASP HA H 148 4.342 4.342 4.141 0.201 18521 6680 1 7 . 1 1 148 148 ASP C C 148 175.607 175.607 178.491 -2.884 18521 6681 1 7 . 1 1 148 148 ASP CA C 148 57.252 57.252 57.515 -0.263 18521 6682 1 7 . 1 1 148 148 ASP CB C 148 39.918 39.918 40.361 -0.443 18521 6683 1 7 . 1 1 148 148 ASP H H 148 8.522 8.522 8.441 0.081 18521 6684 1 7 . 1 1 149 149 GLU N N 149 121.333 121.333 120.032 1.301 18521 6685 1 7 . 1 1 149 149 GLU HA H 149 4.008 4.008 3.970 0.038 18521 6686 1 7 . 1 1 149 149 GLU C C 149 175.652 175.652 178.781 -3.129 18521 6687 1 7 . 1 1 149 149 GLU CA C 149 59.394 59.394 59.660 -0.266 18521 6688 1 7 . 1 1 149 149 GLU CB C 149 32.048 32.048 32.266 -0.218 18521 6689 1 7 . 1 1 149 149 GLU H H 149 7.768 7.768 7.957 -0.189 18521 6690 1 7 . 1 1 150 150 LEU N N 150 120.820 120.820 119.384 1.436 18521 6691 1 7 . 1 1 150 150 LEU HA H 150 3.718 3.718 4.034 -0.316 18521 6692 1 7 . 1 1 150 150 LEU C C 150 179.476 179.476 179.281 0.195 18521 6693 1 7 . 1 1 150 150 LEU CA C 150 57.656 57.656 57.997 -0.341 18521 6694 1 7 . 1 1 150 150 LEU CB C 150 28.936 28.936 29.700 -0.764 18521 6695 1 7 . 1 1 150 150 LEU H H 150 8.113 8.113 7.398 0.715 18521 6696 1 7 . 1 1 151 151 GLN N N 151 118.698 118.698 119.794 -1.096 18521 6697 1 7 . 1 1 151 151 GLN HA H 151 3.990 3.990 3.566 0.424 18521 6698 1 7 . 1 1 151 151 GLN C C 151 178.418 178.418 177.964 0.454 18521 6699 1 7 . 1 1 151 151 GLN CA C 151 58.570 58.570 59.665 -1.095 18521 6700 1 7 . 1 1 151 151 GLN CB C 151 38.409 38.409 37.455 0.954 18521 6701 1 7 . 1 1 151 151 GLN H H 151 8.282 8.282 7.867 0.415 18521 6702 1 7 . 1 1 152 152 GLU N N 152 120.750 120.750 119.746 1.004 18521 6703 1 7 . 1 1 152 152 GLU HA H 152 4.035 4.035 3.950 0.085 18521 6704 1 7 . 1 1 152 152 GLU C C 152 178.916 178.916 178.967 -0.051 18521 6705 1 7 . 1 1 152 152 GLU CA C 152 59.223 59.223 59.340 -0.117 18521 6706 1 7 . 1 1 152 152 GLU CB C 152 29.322 29.322 29.203 0.119 18521 6707 1 7 . 1 1 152 152 GLU H H 152 7.499 7.499 8.442 -0.943 18521 6708 1 7 . 1 1 153 153 VAL N N 153 120.317 120.317 120.756 -0.439 18521 6709 1 7 . 1 1 153 153 VAL HA H 153 3.695 3.695 3.803 -0.108 18521 6710 1 7 . 1 1 153 153 VAL C C 153 178.846 178.846 178.260 0.586 18521 6711 1 7 . 1 1 153 153 VAL CA C 153 65.832 65.832 66.832 -1.000 18521 6712 1 7 . 1 1 153 153 VAL CB C 153 31.921 31.921 31.788 0.133 18521 6713 1 7 . 1 1 153 153 VAL H H 153 7.763 7.763 8.681 -0.918 18521 6714 1 7 . 1 1 154 154 LEU N N 154 121.374 121.374 119.596 1.778 18521 6715 1 7 . 1 1 154 154 LEU HA H 154 3.917 3.917 4.000 -0.083 18521 6716 1 7 . 1 1 154 154 LEU C C 154 178.836 178.836 178.374 0.462 18521 6717 1 7 . 1 1 154 154 LEU CA C 154 57.439 57.439 58.762 -1.323 18521 6718 1 7 . 1 1 154 154 LEU CB C 154 41.797 41.797 41.333 0.464 18521 6719 1 7 . 1 1 154 154 LEU H H 154 7.731 7.731 8.046 -0.315 18521 6720 1 7 . 1 1 155 155 ALA N N 155 121.695 121.695 123.824 -2.129 18521 6721 1 7 . 1 1 155 155 ALA HA H 155 4.145 4.145 3.782 0.363 18521 6722 1 7 . 1 1 155 155 ALA C C 155 179.502 179.502 179.784 -0.282 18521 6723 1 7 . 1 1 155 155 ALA CA C 155 54.175 54.175 55.347 -1.172 18521 6724 1 7 . 1 1 155 155 ALA CB C 155 18.499 18.499 18.660 -0.161 18521 6725 1 7 . 1 1 155 155 ALA H H 155 7.896 7.896 7.761 0.135 18521 6726 1 7 . 1 1 156 156 MET N N 156 117.652 117.652 118.406 -0.754 18521 6727 1 7 . 1 1 156 156 MET HA H 156 4.228 4.228 3.931 0.297 18521 6728 1 7 . 1 1 156 156 MET C C 156 177.366 177.366 178.499 -1.133 18521 6729 1 7 . 1 1 156 156 MET CA C 156 57.306 57.306 59.525 -2.219 18521 6730 1 7 . 1 1 156 156 MET CB C 156 32.373 32.373 32.625 -0.252 18521 6731 1 7 . 1 1 156 156 MET H H 156 7.778 7.778 8.453 -0.675 18521 6732 1 7 . 1 1 157 157 ASN N N 157 117.853 117.853 117.464 0.389 18521 6733 1 7 . 1 1 157 157 ASN HA H 157 4.588 4.588 4.253 0.335 18521 6734 1 7 . 1 1 157 157 ASN C C 157 175.211 175.211 177.584 -2.373 18521 6735 1 7 . 1 1 157 157 ASN CA C 157 54.068 54.068 57.439 -3.371 18521 6736 1 7 . 1 1 157 157 ASN CB C 157 39.125 39.125 38.466 0.659 18521 6737 1 7 . 1 1 157 157 ASN H H 157 8.009 8.009 8.202 -0.193 18521 6738 1 7 . 1 1 158 158 ASN N N 158 117.684 117.684 117.213 0.471 18521 6739 1 7 . 1 1 158 158 ASN HA H 158 4.612 4.612 4.335 0.277 18521 6740 1 7 . 1 1 158 158 ASN C C 158 174.669 174.669 177.061 -2.392 18521 6741 1 7 . 1 1 158 158 ASN CA C 158 53.554 53.554 56.103 -2.549 18521 6742 1 7 . 1 1 158 158 ASN CB C 158 39.343 39.343 38.004 1.339 18521 6743 1 7 . 1 1 158 158 ASN H H 158 7.951 7.951 8.720 -0.769 18521 6744 1 7 . 1 1 159 159 ASN N N 159 119.399 119.399 117.950 1.449 18521 6745 1 7 . 1 1 159 159 ASN HA H 159 4.583 4.583 4.355 0.228 18521 6746 1 7 . 1 1 159 159 ASN C C 159 175.563 175.563 177.473 -1.910 18521 6747 1 7 . 1 1 159 159 ASN CA C 159 53.901 53.901 57.146 -3.245 18521 6748 1 7 . 1 1 159 159 ASN CB C 159 38.425 38.425 38.094 0.331 18521 6749 1 7 . 1 1 159 159 ASN H H 159 8.319 8.319 7.622 0.697 18521 6750 1 7 . 1 1 160 160 SER N N 160 115.453 115.453 117.304 -1.851 18521 6751 1 7 . 1 1 160 160 SER HA H 160 4.324 4.324 4.082 0.242 18521 6752 1 7 . 1 1 160 160 SER C C 160 174.952 174.952 176.847 -1.895 18521 6753 1 7 . 1 1 160 160 SER CA C 160 58.851 58.851 61.152 -2.301 18521 6754 1 7 . 1 1 160 160 SER CB C 160 63.704 63.704 62.951 0.753 18521 6755 1 7 . 1 1 160 160 SER H H 160 8.297 8.297 7.376 0.921 18521 6756 1 7 . 1 1 161 161 GLY N N 161 110.851 110.851 106.175 4.676 18521 6757 1 7 . 1 1 161 161 GLY HA H 161 4.146 4.146 4.027 0.119 18521 6758 1 7 . 1 1 161 161 GLY C C 161 173.974 173.974 176.810 -2.836 18521 6759 1 7 . 1 1 161 161 GLY CA C 161 45.348 45.348 47.901 -2.553 18521 6760 1 7 . 1 1 161 161 GLY CB C 161 42.245 42.245 41.942 0.303 18521 6761 1 7 . 1 1 161 161 GLY H H 161 8.328 8.328 8.112 0.216 18521 6762 1 7 . 1 1 162 162 GLU N N 162 120.859 120.859 116.710 4.149 18521 6763 1 7 . 1 1 162 162 GLU HA H 162 4.211 4.211 4.208 0.003 18521 6764 1 7 . 1 1 162 162 GLU C C 162 177.522 177.522 177.685 -0.163 18521 6765 1 7 . 1 1 162 162 GLU CA C 162 56.065 56.065 58.800 -2.735 18521 6766 1 7 . 1 1 162 162 GLU CB C 162 29.852 29.852 29.006 0.845 18521 6767 1 7 . 1 1 162 162 GLU H H 162 8.244 8.244 7.755 0.489 18521 6768 1 7 . 1 1 163 163 LEU N N 163 124.226 124.226 118.124 6.102 18521 6769 1 7 . 1 1 163 163 LEU HA H 163 3.889 3.889 4.270 -0.381 18521 6770 1 7 . 1 1 163 163 LEU C C 163 178.043 178.043 177.051 0.992 18521 6771 1 7 . 1 1 163 163 LEU CA C 163 57.163 57.163 54.792 2.371 18521 6772 1 7 . 1 1 163 163 LEU CB C 163 41.840 41.840 42.206 -0.366 18521 6773 1 7 . 1 1 163 163 LEU H H 163 8.337 8.337 7.727 0.610 18521 6774 1 7 . 1 1 164 164 ASP N N 164 116.994 116.994 118.934 -1.940 18521 6775 1 7 . 1 1 164 164 ASP HA H 164 4.327 4.327 4.286 0.041 18521 6776 1 7 . 1 1 164 164 ASP C C 164 176.423 176.423 176.818 -0.395 18521 6777 1 7 . 1 1 164 164 ASP CA C 164 55.427 55.427 54.612 0.815 18521 6778 1 7 . 1 1 164 164 ASP H H 164 8.188 8.188 7.783 0.405 18521 6779 1 7 . 1 1 165 165 ASP N N 165 118.967 118.967 118.633 0.334 18521 6780 1 7 . 1 1 165 165 ASP HA H 165 4.443 4.443 4.514 -0.071 18521 6781 1 7 . 1 1 165 165 ASP C C 165 175.654 175.654 176.313 -0.659 18521 6782 1 7 . 1 1 165 165 ASP CA C 165 54.707 54.707 55.016 -0.308 18521 6783 1 7 . 1 1 165 165 ASP CB C 165 40.973 40.973 41.187 -0.214 18521 6784 1 7 . 1 1 165 165 ASP H H 165 7.701 7.701 7.853 -0.152 18521 6785 1 7 . 1 1 166 166 ILE N N 166 122.002 122.002 119.872 2.130 18521 6786 1 7 . 1 1 166 166 ILE HA H 166 4.049 4.049 3.978 0.071 18521 6787 1 7 . 1 1 166 166 ILE C C 166 175.180 175.180 175.167 0.013 18521 6788 1 7 . 1 1 166 166 ILE CA C 166 60.396 60.396 59.819 0.577 18521 6789 1 7 . 1 1 166 166 ILE CB C 166 39.185 39.185 37.410 1.775 18521 6790 1 7 . 1 1 166 166 ILE H H 166 7.388 7.388 7.334 0.054 18521 6791 1 8 . 1 1 2 2 ALA N N 2 122.445 122.445 124.053 -1.608 18521 6792 1 8 . 1 1 2 2 ALA HA H 2 4.045 4.045 4.045 -0.000 18521 6793 1 8 . 1 1 2 2 ALA C C 2 179.992 179.992 179.080 0.912 18521 6794 1 8 . 1 1 2 2 ALA CA C 2 55.140 55.140 54.833 0.307 18521 6795 1 8 . 1 1 2 2 ALA CB C 2 18.482 18.482 17.870 0.612 18521 6796 1 8 . 1 1 2 2 ALA H H 2 8.545 8.545 8.517 0.028 18521 6797 1 8 . 1 1 3 3 SER N N 3 115.544 115.544 113.468 2.076 18521 6798 1 8 . 1 1 3 3 SER HA H 3 4.030 4.030 4.067 -0.037 18521 6799 1 8 . 1 1 3 3 SER C C 3 176.584 176.584 176.621 -0.037 18521 6800 1 8 . 1 1 3 3 SER CA C 3 60.748 60.748 61.995 -1.247 18521 6801 1 8 . 1 1 3 3 SER CB C 3 62.416 62.416 62.727 -0.311 18521 6802 1 8 . 1 1 3 3 SER H H 3 8.009 8.009 8.443 -0.434 18521 6803 1 8 . 1 1 4 4 ASN N N 4 123.103 123.103 119.908 3.195 18521 6804 1 8 . 1 1 4 4 ASN HA H 4 4.318 4.318 4.409 -0.091 18521 6805 1 8 . 1 1 4 4 ASN C C 4 176.215 176.215 177.073 -0.858 18521 6806 1 8 . 1 1 4 4 ASN CA C 4 55.580 55.580 56.184 -0.604 18521 6807 1 8 . 1 1 4 4 ASN CB C 4 38.154 38.154 38.088 0.066 18521 6808 1 8 . 1 1 4 4 ASN H H 4 7.965 7.965 7.705 0.260 18521 6809 1 8 . 1 1 5 5 ALA N N 5 122.314 122.314 122.249 0.065 18521 6810 1 8 . 1 1 5 5 ALA HA H 5 3.560 3.560 3.821 -0.261 18521 6811 1 8 . 1 1 5 5 ALA C C 5 178.543 178.543 178.866 -0.323 18521 6812 1 8 . 1 1 5 5 ALA CA C 5 55.774 55.774 55.183 0.591 18521 6813 1 8 . 1 1 5 5 ALA CB C 5 17.638 17.638 18.178 -0.540 18521 6814 1 8 . 1 1 5 5 ALA H H 5 8.721 8.721 7.517 1.204 18521 6815 1 8 . 1 1 6 6 ALA N N 6 117.886 117.886 121.587 -3.701 18521 6816 1 8 . 1 1 6 6 ALA HA H 6 3.784 3.784 4.005 -0.221 18521 6817 1 8 . 1 1 6 6 ALA C C 6 180.378 180.378 179.565 0.813 18521 6818 1 8 . 1 1 6 6 ALA CA C 6 55.240 55.240 54.999 0.241 18521 6819 1 8 . 1 1 6 6 ALA CB C 6 17.890 17.890 17.948 -0.058 18521 6820 1 8 . 1 1 6 6 ALA H H 6 7.891 7.891 7.359 0.532 18521 6821 1 8 . 1 1 7 7 ARG N N 7 120.992 120.992 119.175 1.817 18521 6822 1 8 . 1 1 7 7 ARG HA H 7 3.770 3.770 4.021 -0.251 18521 6823 1 8 . 1 1 7 7 ARG C C 7 179.531 179.531 178.572 0.959 18521 6824 1 8 . 1 1 7 7 ARG CA C 7 59.249 59.249 59.365 -0.116 18521 6825 1 8 . 1 1 7 7 ARG CB C 7 29.546 29.546 30.340 -0.794 18521 6826 1 8 . 1 1 7 7 ARG H H 7 7.503 7.503 7.661 -0.158 18521 6827 1 8 . 1 1 8 8 VAL N N 8 123.707 123.707 120.022 3.685 18521 6828 1 8 . 1 1 8 8 VAL HA H 8 3.285 3.285 3.752 -0.467 18521 6829 1 8 . 1 1 8 8 VAL C C 8 177.740 177.740 178.024 -0.284 18521 6830 1 8 . 1 1 8 8 VAL CA C 8 67.839 67.839 67.123 0.716 18521 6831 1 8 . 1 1 8 8 VAL CB C 8 31.516 31.516 31.499 0.017 18521 6832 1 8 . 1 1 8 8 VAL H H 8 8.176 8.176 7.851 0.325 18521 6833 1 8 . 1 1 9 9 VAL N N 9 119.893 119.893 119.998 -0.105 18521 6834 1 8 . 1 1 9 9 VAL HA H 9 3.286 3.286 3.516 -0.230 18521 6835 1 8 . 1 1 9 9 VAL C C 9 177.535 177.535 178.090 -0.555 18521 6836 1 8 . 1 1 9 9 VAL CA C 9 67.549 67.549 66.853 0.697 18521 6837 1 8 . 1 1 9 9 VAL CB C 9 31.683 31.683 31.050 0.633 18521 6838 1 8 . 1 1 9 9 VAL H H 9 8.329 8.329 7.642 0.687 18521 6839 1 8 . 1 1 10 10 ALA N N 10 122.541 122.541 121.750 0.791 18521 6840 1 8 . 1 1 10 10 ALA HA H 10 3.971 3.971 4.057 -0.086 18521 6841 1 8 . 1 1 10 10 ALA C C 10 177.093 177.093 179.785 -2.692 18521 6842 1 8 . 1 1 10 10 ALA CA C 10 55.448 55.448 55.449 -0.001 18521 6843 1 8 . 1 1 10 10 ALA CB C 10 17.791 17.791 18.410 -0.619 18521 6844 1 8 . 1 1 10 10 ALA H H 10 7.802 7.802 8.309 -0.506 18521 6845 1 8 . 1 1 11 11 THR N N 11 116.946 116.946 115.622 1.324 18521 6846 1 8 . 1 1 11 11 THR HA H 11 3.821 3.821 3.981 -0.160 18521 6847 1 8 . 1 1 11 11 THR C C 11 175.702 175.702 176.574 -0.872 18521 6848 1 8 . 1 1 11 11 THR CA C 11 66.531 66.531 67.489 -0.958 18521 6849 1 8 . 1 1 11 11 THR CB C 11 68.493 68.493 68.820 -0.327 18521 6850 1 8 . 1 1 11 11 THR H H 11 8.187 8.187 8.514 -0.327 18521 6851 1 8 . 1 1 12 12 ALA N N 12 125.357 125.357 123.762 1.595 18521 6852 1 8 . 1 1 12 12 ALA HA H 12 4.003 4.003 4.113 -0.110 18521 6853 1 8 . 1 1 12 12 ALA C C 12 179.401 179.401 179.522 -0.121 18521 6854 1 8 . 1 1 12 12 ALA CA C 12 56.083 56.083 55.378 0.705 18521 6855 1 8 . 1 1 12 12 ALA CB C 12 18.855 18.855 18.195 0.660 18521 6856 1 8 . 1 1 12 12 ALA H H 12 8.641 8.641 8.157 0.484 18521 6857 1 8 . 1 1 13 13 LYS N N 13 117.246 117.246 117.039 0.207 18521 6858 1 8 . 1 1 13 13 LYS HA H 13 3.964 3.964 4.136 -0.172 18521 6859 1 8 . 1 1 13 13 LYS C C 13 180.132 180.132 178.546 1.586 18521 6860 1 8 . 1 1 13 13 LYS CA C 13 58.991 58.991 58.535 0.457 18521 6861 1 8 . 1 1 13 13 LYS CB C 13 32.014 32.014 31.608 0.406 18521 6862 1 8 . 1 1 13 13 LYS H H 13 7.961 7.961 7.656 0.305 18521 6863 1 8 . 1 1 14 14 ASP N N 14 122.162 122.162 119.513 2.649 18521 6864 1 8 . 1 1 14 14 ASP HA H 14 4.355 4.355 4.416 -0.061 18521 6865 1 8 . 1 1 14 14 ASP C C 14 179.394 179.394 178.501 0.893 18521 6866 1 8 . 1 1 14 14 ASP CA C 14 57.524 57.524 56.912 0.612 18521 6867 1 8 . 1 1 14 14 ASP CB C 14 39.984 39.984 40.276 -0.292 18521 6868 1 8 . 1 1 14 14 ASP H H 14 7.702 7.702 7.635 0.067 18521 6869 1 8 . 1 1 15 15 PHE N N 15 119.552 119.552 118.307 1.245 18521 6870 1 8 . 1 1 15 15 PHE HA H 15 4.307 4.307 4.185 0.122 18521 6871 1 8 . 1 1 15 15 PHE C C 15 178.383 178.383 177.947 0.436 18521 6872 1 8 . 1 1 15 15 PHE CA C 15 62.313 62.313 61.719 0.594 18521 6873 1 8 . 1 1 15 15 PHE CB C 15 37.340 37.340 38.857 -1.517 18521 6874 1 8 . 1 1 15 15 PHE H H 15 7.970 7.970 7.590 0.380 18521 6875 1 8 . 1 1 16 16 ASP N N 16 121.464 121.464 119.834 1.630 18521 6876 1 8 . 1 1 16 16 ASP HA H 16 4.016 4.016 4.478 -0.462 18521 6877 1 8 . 1 1 16 16 ASP C C 16 179.923 179.923 179.472 0.451 18521 6878 1 8 . 1 1 16 16 ASP CA C 16 58.030 58.030 57.311 0.719 18521 6879 1 8 . 1 1 16 16 ASP CB C 16 41.407 41.407 40.181 1.226 18521 6880 1 8 . 1 1 16 16 ASP H H 16 8.259 8.259 7.901 0.358 18521 6881 1 8 . 1 1 17 17 LYS N N 17 118.806 118.806 120.104 -1.298 18521 6882 1 8 . 1 1 17 17 LYS HA H 17 4.047 4.047 4.098 -0.051 18521 6883 1 8 . 1 1 17 17 LYS C C 17 178.432 178.432 178.333 0.099 18521 6884 1 8 . 1 1 17 17 LYS CA C 17 59.018 59.018 58.928 0.090 18521 6885 1 8 . 1 1 17 17 LYS CB C 17 32.592 32.592 32.514 0.078 18521 6886 1 8 . 1 1 17 17 LYS H H 17 7.842 7.842 8.027 -0.185 18521 6887 1 8 . 1 1 18 18 VAL N N 18 110.416 110.416 116.595 -6.179 18521 6888 1 8 . 1 1 18 18 VAL HA H 18 4.523 4.523 4.013 0.510 18521 6889 1 8 . 1 1 18 18 VAL C C 18 176.089 176.089 176.055 0.034 18521 6890 1 8 . 1 1 18 18 VAL CA C 18 60.797 60.797 62.976 -2.179 18521 6891 1 8 . 1 1 18 18 VAL CB C 18 31.194 31.194 32.441 -1.247 18521 6892 1 8 . 1 1 18 18 VAL H H 18 7.198 7.198 7.694 -0.496 18521 6893 1 8 . 1 1 19 19 GLY N N 19 109.008 109.008 107.965 1.043 18521 6894 1 8 . 1 1 19 19 GLY C C 19 175.070 175.070 174.482 0.588 18521 6895 1 8 . 1 1 19 19 GLY CA C 19 45.842 45.842 45.388 0.454 18521 6896 1 8 . 1 1 19 19 GLY H H 19 7.731 7.731 7.683 0.048 18521 6897 1 8 . 1 1 20 20 LEU N N 20 125.244 125.244 122.994 2.250 18521 6898 1 8 . 1 1 20 20 LEU HA H 20 4.938 4.938 4.647 0.291 18521 6899 1 8 . 1 1 20 20 LEU C C 20 177.890 177.890 176.885 1.005 18521 6900 1 8 . 1 1 20 20 LEU CA C 20 52.674 52.674 53.222 -0.548 18521 6901 1 8 . 1 1 20 20 LEU CB C 20 40.239 40.239 40.212 0.027 18521 6902 1 8 . 1 1 20 20 LEU H H 20 8.102 8.102 8.374 -0.272 18521 6903 1 8 . 1 1 21 21 GLY N N 21 108.031 108.031 110.046 -2.015 18521 6904 1 8 . 1 1 21 21 GLY C C 21 176.174 176.174 175.927 0.247 18521 6905 1 8 . 1 1 21 21 GLY CA C 21 47.352 47.352 47.363 -0.011 18521 6906 1 8 . 1 1 21 21 GLY H H 21 8.046 8.046 8.021 0.025 18521 6907 1 8 . 1 1 22 22 ILE N N 22 121.173 121.173 121.919 -0.746 18521 6908 1 8 . 1 1 22 22 ILE HA H 22 3.944 3.944 3.769 0.175 18521 6909 1 8 . 1 1 22 22 ILE C C 22 176.119 176.119 177.630 -1.511 18521 6910 1 8 . 1 1 22 22 ILE CA C 22 61.179 61.179 64.683 -3.504 18521 6911 1 8 . 1 1 22 22 ILE CB C 22 35.934 35.934 37.840 -1.906 18521 6912 1 8 . 1 1 22 22 ILE H H 22 8.395 8.395 8.062 0.333 18521 6913 1 8 . 1 1 23 23 ILE N N 23 120.647 120.647 119.865 0.782 18521 6914 1 8 . 1 1 23 23 ILE HA H 23 3.713 3.713 3.780 -0.067 18521 6915 1 8 . 1 1 23 23 ILE C C 23 178.458 178.458 178.568 -0.110 18521 6916 1 8 . 1 1 23 23 ILE CA C 23 64.266 64.266 62.531 1.735 18521 6917 1 8 . 1 1 23 23 ILE CB C 23 36.272 36.272 36.104 0.168 18521 6918 1 8 . 1 1 23 23 ILE H H 23 6.824 6.824 7.346 -0.522 18521 6919 1 8 . 1 1 24 24 GLY N N 24 103.326 103.326 107.852 -4.526 18521 6920 1 8 . 1 1 24 24 GLY C C 24 174.914 174.914 175.597 -0.683 18521 6921 1 8 . 1 1 24 24 GLY CA C 24 47.998 47.998 47.056 0.942 18521 6922 1 8 . 1 1 24 24 GLY H H 24 7.412 7.412 7.718 -0.306 18521 6923 1 8 . 1 1 25 25 TYR N N 25 124.188 124.188 124.165 0.023 18521 6924 1 8 . 1 1 25 25 TYR HA H 25 3.734 3.734 3.741 -0.007 18521 6925 1 8 . 1 1 25 25 TYR C C 25 176.055 176.055 177.316 -1.261 18521 6926 1 8 . 1 1 25 25 TYR CA C 25 60.962 60.962 60.646 0.316 18521 6927 1 8 . 1 1 25 25 TYR CB C 25 37.888 37.888 37.664 0.224 18521 6928 1 8 . 1 1 25 25 TYR H H 25 7.861 7.861 7.984 -0.123 18521 6929 1 8 . 1 1 26 26 TYR N N 26 117.390 117.390 117.331 0.059 18521 6930 1 8 . 1 1 26 26 TYR HA H 26 3.881 3.881 3.929 -0.048 18521 6931 1 8 . 1 1 26 26 TYR C C 26 178.653 178.653 178.000 0.653 18521 6932 1 8 . 1 1 26 26 TYR CA C 26 64.270 64.270 62.425 1.845 18521 6933 1 8 . 1 1 26 26 TYR CB C 26 37.453 37.453 38.184 -0.731 18521 6934 1 8 . 1 1 26 26 TYR H H 26 7.594 7.594 7.538 0.056 18521 6935 1 8 . 1 1 27 27 LEU N N 27 118.536 118.536 119.395 -0.859 18521 6936 1 8 . 1 1 27 27 LEU HA H 27 4.277 4.277 3.781 0.496 18521 6937 1 8 . 1 1 27 27 LEU C C 27 179.025 179.025 178.938 0.087 18521 6938 1 8 . 1 1 27 27 LEU CA C 27 58.382 58.382 58.111 0.271 18521 6939 1 8 . 1 1 27 27 LEU CB C 27 42.595 42.595 41.081 1.514 18521 6940 1 8 . 1 1 27 27 LEU H H 27 8.226 8.226 7.920 0.306 18521 6941 1 8 . 1 1 28 28 GLN N N 28 119.110 119.110 117.872 1.238 18521 6942 1 8 . 1 1 28 28 GLN HA H 28 3.665 3.665 3.816 -0.151 18521 6943 1 8 . 1 1 28 28 GLN C C 28 177.406 177.406 178.366 -0.960 18521 6944 1 8 . 1 1 28 28 GLN CA C 28 60.626 60.626 58.950 1.676 18521 6945 1 8 . 1 1 28 28 GLN CB C 28 28.959 28.959 28.569 0.390 18521 6946 1 8 . 1 1 28 28 GLN H H 28 8.007 8.007 8.327 -0.320 18521 6947 1 8 . 1 1 29 29 LEU N N 29 121.623 121.623 120.744 0.879 18521 6948 1 8 . 1 1 29 29 LEU HA H 29 3.718 3.718 3.851 -0.133 18521 6949 1 8 . 1 1 29 29 LEU C C 29 179.706 179.706 178.048 1.658 18521 6950 1 8 . 1 1 29 29 LEU CA C 29 58.382 58.382 57.501 0.881 18521 6951 1 8 . 1 1 29 29 LEU CB C 29 42.114 42.114 41.469 0.645 18521 6952 1 8 . 1 1 29 29 LEU H H 29 7.938 7.938 7.338 0.600 18521 6953 1 8 . 1 1 30 30 TYR N N 30 120.084 120.084 120.133 -0.049 18521 6954 1 8 . 1 1 30 30 TYR HA H 30 4.132 4.132 3.832 0.300 18521 6955 1 8 . 1 1 30 30 TYR C C 30 175.611 175.611 176.801 -1.190 18521 6956 1 8 . 1 1 30 30 TYR CA C 30 58.951 58.951 59.847 -0.896 18521 6957 1 8 . 1 1 30 30 TYR CB C 30 39.302 39.302 37.782 1.520 18521 6958 1 8 . 1 1 30 30 TYR H H 30 7.974 7.974 7.837 0.137 18521 6959 1 8 . 1 1 31 31 ALA N N 31 121.802 121.802 121.257 0.545 18521 6960 1 8 . 1 1 31 31 ALA HA H 31 3.343 3.343 3.557 -0.214 18521 6961 1 8 . 1 1 31 31 ALA C C 31 178.911 178.911 179.285 -0.374 18521 6962 1 8 . 1 1 31 31 ALA CA C 31 55.429 55.429 54.885 0.544 18521 6963 1 8 . 1 1 31 31 ALA CB C 31 17.895 17.895 17.803 0.092 18521 6964 1 8 . 1 1 31 31 ALA H H 31 8.504 8.504 7.808 0.696 18521 6965 1 8 . 1 1 32 32 VAL N N 32 116.528 116.528 118.667 -2.139 18521 6966 1 8 . 1 1 32 32 VAL HA H 32 3.249 3.249 3.453 -0.204 18521 6967 1 8 . 1 1 32 32 VAL C C 32 176.963 176.963 177.878 -0.915 18521 6968 1 8 . 1 1 32 32 VAL CA C 32 67.723 67.723 66.981 0.742 18521 6969 1 8 . 1 1 32 32 VAL CB C 32 31.403 31.403 31.325 0.078 18521 6970 1 8 . 1 1 32 32 VAL H H 32 8.027 8.027 7.530 0.497 18521 6971 1 8 . 1 1 33 33 GLU N N 33 118.609 118.609 119.197 -0.588 18521 6972 1 8 . 1 1 33 33 GLU HA H 33 3.804 3.804 3.974 -0.170 18521 6973 1 8 . 1 1 33 33 GLU C C 33 180.234 180.234 179.288 0.946 18521 6974 1 8 . 1 1 33 33 GLU CA C 33 59.446 59.446 59.082 0.364 18521 6975 1 8 . 1 1 33 33 GLU CB C 33 28.711 28.711 28.857 -0.146 18521 6976 1 8 . 1 1 33 33 GLU H H 33 7.299 7.299 7.428 -0.129 18521 6977 1 8 . 1 1 34 34 LEU N N 34 120.831 120.831 121.094 -0.263 18521 6978 1 8 . 1 1 34 34 LEU HA H 34 3.702 3.702 3.973 -0.271 18521 6979 1 8 . 1 1 34 34 LEU C C 34 180.024 180.024 179.415 0.609 18521 6980 1 8 . 1 1 34 34 LEU CA C 34 57.815 57.815 58.180 -0.365 18521 6981 1 8 . 1 1 34 34 LEU CB C 34 42.097 42.097 41.597 0.500 18521 6982 1 8 . 1 1 34 34 LEU H H 34 8.168 8.168 7.116 1.052 18521 6983 1 8 . 1 1 35 35 ILE N N 35 120.733 120.733 118.690 2.043 18521 6984 1 8 . 1 1 35 35 ILE HA H 35 3.589 3.589 3.619 -0.030 18521 6985 1 8 . 1 1 35 35 ILE C C 35 178.501 178.501 178.486 0.015 18521 6986 1 8 . 1 1 35 35 ILE CA C 35 65.363 65.363 65.217 0.146 18521 6987 1 8 . 1 1 35 35 ILE CB C 35 38.960 38.960 38.049 0.911 18521 6988 1 8 . 1 1 35 35 ILE H H 35 8.064 8.064 7.207 0.857 18521 6989 1 8 . 1 1 36 36 LEU N N 36 115.519 115.519 117.750 -2.231 18521 6990 1 8 . 1 1 36 36 LEU HA H 36 3.958 3.958 4.035 -0.077 18521 6991 1 8 . 1 1 36 36 LEU C C 36 178.244 178.244 178.290 -0.046 18521 6992 1 8 . 1 1 36 36 LEU CA C 36 56.069 56.069 56.959 -0.889 18521 6993 1 8 . 1 1 36 36 LEU CB C 36 40.528 40.528 42.153 -1.625 18521 6994 1 8 . 1 1 36 36 LEU H H 36 8.370 8.370 7.786 0.584 18521 6995 1 8 . 1 1 37 37 SER N N 37 113.976 113.976 110.577 3.399 18521 6996 1 8 . 1 1 37 37 SER HA H 37 4.197 4.197 4.276 -0.079 18521 6997 1 8 . 1 1 37 37 SER C C 37 173.934 173.934 174.771 -0.837 18521 6998 1 8 . 1 1 37 37 SER CA C 37 60.204 60.204 59.679 0.525 18521 6999 1 8 . 1 1 37 37 SER CB C 37 63.507 63.507 63.674 -0.167 18521 7000 1 8 . 1 1 37 37 SER H H 37 7.523 7.523 8.196 -0.673 18521 7001 1 8 . 1 1 38 38 GLU N N 38 123.219 123.219 122.346 0.873 18521 7002 1 8 . 1 1 38 38 GLU HA H 38 4.426 4.426 4.373 0.053 18521 7003 1 8 . 1 1 38 38 GLU C C 38 175.767 175.767 176.563 -0.796 18521 7004 1 8 . 1 1 38 38 GLU CA C 38 55.046 55.046 55.447 -0.401 18521 7005 1 8 . 1 1 38 38 GLU CB C 38 30.395 30.395 30.572 -0.177 18521 7006 1 8 . 1 1 38 38 GLU H H 38 7.185 7.185 7.489 -0.304 18521 7007 1 8 . 1 1 39 39 GLU N N 39 126.955 126.955 124.552 2.403 18521 7008 1 8 . 1 1 39 39 GLU HA H 39 3.985 3.985 4.056 -0.071 18521 7009 1 8 . 1 1 39 39 GLU C C 39 176.861 176.861 175.863 0.998 18521 7010 1 8 . 1 1 39 39 GLU CA C 39 58.331 58.331 58.537 -0.206 18521 7011 1 8 . 1 1 39 39 GLU CB C 39 30.008 30.008 29.918 0.090 18521 7012 1 8 . 1 1 39 39 GLU H H 39 8.632 8.632 8.746 -0.114 18521 7013 1 8 . 1 1 40 40 ASP N N 40 119.763 119.763 119.816 -0.053 18521 7014 1 8 . 1 1 40 40 ASP HA H 40 4.616 4.616 4.698 -0.082 18521 7015 1 8 . 1 1 40 40 ASP C C 40 174.989 174.989 175.389 -0.400 18521 7016 1 8 . 1 1 40 40 ASP CA C 40 53.281 53.281 54.053 -0.772 18521 7017 1 8 . 1 1 40 40 ASP CB C 40 39.814 39.814 40.639 -0.825 18521 7018 1 8 . 1 1 40 40 ASP H H 40 8.560 8.560 8.135 0.425 18521 7019 1 8 . 1 1 41 41 ARG N N 41 119.595 119.595 122.004 -2.409 18521 7020 1 8 . 1 1 41 41 ARG HA H 41 4.390 4.390 4.595 -0.205 18521 7021 1 8 . 1 1 41 41 ARG C C 41 175.553 175.553 174.927 0.626 18521 7022 1 8 . 1 1 41 41 ARG CA C 41 54.707 54.707 55.081 -0.374 18521 7023 1 8 . 1 1 41 41 ARG CB C 41 31.865 31.865 33.690 -1.825 18521 7024 1 8 . 1 1 41 41 ARG H H 41 7.443 7.443 8.568 -1.125 18521 7025 1 8 . 1 1 42 42 SER N N 42 119.463 119.463 118.245 1.218 18521 7026 1 8 . 1 1 42 42 SER HA H 42 4.381 4.381 4.752 -0.371 18521 7027 1 8 . 1 1 42 42 SER C C 42 175.361 175.361 174.630 0.731 18521 7028 1 8 . 1 1 42 42 SER CA C 42 57.137 57.137 56.467 0.670 18521 7029 1 8 . 1 1 42 42 SER CB C 42 65.166 65.166 66.549 -1.383 18521 7030 1 8 . 1 1 42 42 SER H H 42 8.556 8.556 8.404 0.152 18521 7031 1 8 . 1 1 43 43 GLN N N 43 122.535 122.535 121.968 0.567 18521 7032 1 8 . 1 1 43 43 GLN HA H 43 4.018 4.018 3.969 0.049 18521 7033 1 8 . 1 1 43 43 GLN C C 43 178.768 178.768 177.890 0.878 18521 7034 1 8 . 1 1 43 43 GLN CA C 43 59.073 59.073 59.693 -0.620 18521 7035 1 8 . 1 1 43 43 GLN CB C 43 27.871 27.871 28.663 -0.792 18521 7036 1 8 . 1 1 43 43 GLN H H 43 9.087 9.087 9.102 -0.015 18521 7037 1 8 . 1 1 44 44 GLU N N 44 120.308 120.308 119.173 1.135 18521 7038 1 8 . 1 1 44 44 GLU HA H 44 3.982 3.982 4.074 -0.092 18521 7039 1 8 . 1 1 44 44 GLU C C 44 179.737 179.737 178.924 0.813 18521 7040 1 8 . 1 1 44 44 GLU CA C 44 60.142 60.142 59.513 0.629 18521 7041 1 8 . 1 1 44 44 GLU CB C 44 28.801 28.801 29.029 -0.228 18521 7042 1 8 . 1 1 44 44 GLU H H 44 8.958 8.958 8.768 0.190 18521 7043 1 8 . 1 1 45 45 MET N N 45 120.968 120.968 118.342 2.626 18521 7044 1 8 . 1 1 45 45 MET HA H 45 4.432 4.432 4.409 0.023 18521 7045 1 8 . 1 1 45 45 MET C C 45 178.153 178.153 178.784 -0.631 18521 7046 1 8 . 1 1 45 45 MET CA C 45 57.117 57.117 56.739 0.378 18521 7047 1 8 . 1 1 45 45 MET CB C 45 32.517 32.517 31.757 0.760 18521 7048 1 8 . 1 1 45 45 MET H H 45 7.740 7.740 7.826 -0.086 18521 7049 1 8 . 1 1 46 46 THR N N 46 120.159 120.159 117.028 3.131 18521 7050 1 8 . 1 1 46 46 THR HA H 46 3.620 3.620 3.948 -0.328 18521 7051 1 8 . 1 1 46 46 THR C C 46 176.389 176.389 176.354 0.035 18521 7052 1 8 . 1 1 46 46 THR CA C 46 67.416 67.416 67.439 -0.023 18521 7053 1 8 . 1 1 46 46 THR CB C 46 68.208 68.208 68.377 -0.169 18521 7054 1 8 . 1 1 46 46 THR H H 46 8.190 8.190 8.800 -0.610 18521 7055 1 8 . 1 1 47 47 ALA N N 47 124.729 124.729 123.533 1.196 18521 7056 1 8 . 1 1 47 47 ALA HA H 47 4.060 4.060 4.146 -0.086 18521 7057 1 8 . 1 1 47 47 ALA C C 47 179.554 179.554 179.046 0.508 18521 7058 1 8 . 1 1 47 47 ALA CA C 47 55.195 55.195 54.821 0.374 18521 7059 1 8 . 1 1 47 47 ALA CB C 47 17.654 17.654 18.304 -0.650 18521 7060 1 8 . 1 1 47 47 ALA H H 47 8.292 8.292 7.857 0.435 18521 7061 1 8 . 1 1 48 48 LEU N N 48 122.244 122.244 120.922 1.322 18521 7062 1 8 . 1 1 48 48 LEU HA H 48 4.195 4.195 4.065 0.130 18521 7063 1 8 . 1 1 48 48 LEU C C 48 178.022 178.022 178.513 -0.491 18521 7064 1 8 . 1 1 48 48 LEU CA C 48 57.695 57.695 57.458 0.237 18521 7065 1 8 . 1 1 48 48 LEU CB C 48 41.236 41.236 41.691 -0.455 18521 7066 1 8 . 1 1 48 48 LEU H H 48 7.723 7.723 7.709 0.014 18521 7067 1 8 . 1 1 49 49 ALA N N 49 120.883 120.883 120.550 0.333 18521 7068 1 8 . 1 1 49 49 ALA HA H 49 3.854 3.854 3.896 -0.042 18521 7069 1 8 . 1 1 49 49 ALA C C 49 178.770 178.770 179.397 -0.627 18521 7070 1 8 . 1 1 49 49 ALA CA C 49 55.836 55.836 55.154 0.682 18521 7071 1 8 . 1 1 49 49 ALA CB C 49 17.137 17.137 18.296 -1.159 18521 7072 1 8 . 1 1 49 49 ALA H H 49 8.210 8.210 8.301 -0.091 18521 7073 1 8 . 1 1 50 50 THR N N 50 113.676 113.676 115.250 -1.574 18521 7074 1 8 . 1 1 50 50 THR HA H 50 3.765 3.765 3.851 -0.086 18521 7075 1 8 . 1 1 50 50 THR C C 50 175.836 175.836 176.280 -0.444 18521 7076 1 8 . 1 1 50 50 THR CA C 50 66.975 66.975 67.776 -0.801 18521 7077 1 8 . 1 1 50 50 THR CB C 50 68.976 68.976 68.659 0.317 18521 7078 1 8 . 1 1 50 50 THR H H 50 7.891 7.891 7.651 0.240 18521 7079 1 8 . 1 1 51 51 GLU N N 51 123.445 123.445 122.305 1.140 18521 7080 1 8 . 1 1 51 51 GLU HA H 51 4.221 4.221 4.031 0.190 18521 7081 1 8 . 1 1 51 51 GLU C C 51 179.906 179.906 178.776 1.130 18521 7082 1 8 . 1 1 51 51 GLU CA C 51 59.436 59.436 59.264 0.172 18521 7083 1 8 . 1 1 51 51 GLU CB C 51 29.498 29.498 29.650 -0.152 18521 7084 1 8 . 1 1 51 51 GLU H H 51 7.877 7.877 7.696 0.181 18521 7085 1 8 . 1 1 52 52 LEU N N 52 121.629 121.629 119.385 2.244 18521 7086 1 8 . 1 1 52 52 LEU HA H 52 3.907 3.907 4.003 -0.096 18521 7087 1 8 . 1 1 52 52 LEU C C 52 178.993 178.993 179.090 -0.097 18521 7088 1 8 . 1 1 52 52 LEU CA C 52 57.840 57.840 57.666 0.174 18521 7089 1 8 . 1 1 52 52 LEU CB C 52 42.076 42.076 41.769 0.307 18521 7090 1 8 . 1 1 52 52 LEU H H 52 8.670 8.670 7.468 1.202 18521 7091 1 8 . 1 1 53 53 LEU N N 53 119.996 119.996 120.030 -0.034 18521 7092 1 8 . 1 1 53 53 LEU HA H 53 3.949 3.949 3.800 0.149 18521 7093 1 8 . 1 1 53 53 LEU C C 53 179.950 179.950 179.031 0.919 18521 7094 1 8 . 1 1 53 53 LEU CA C 53 58.480 58.480 58.094 0.386 18521 7095 1 8 . 1 1 53 53 LEU CB C 53 41.341 41.341 41.017 0.323 18521 7096 1 8 . 1 1 53 53 LEU H H 53 8.336 8.336 7.586 0.750 18521 7097 1 8 . 1 1 54 54 ASP N N 54 120.632 120.632 119.132 1.500 18521 7098 1 8 . 1 1 54 54 ASP HA H 54 4.409 4.409 4.470 -0.061 18521 7099 1 8 . 1 1 54 54 ASP C C 54 179.383 179.383 178.875 0.508 18521 7100 1 8 . 1 1 54 54 ASP CA C 54 57.510 57.510 57.352 0.157 18521 7101 1 8 . 1 1 54 54 ASP CB C 54 40.275 40.275 40.043 0.232 18521 7102 1 8 . 1 1 54 54 ASP H H 54 7.884 7.884 7.803 0.081 18521 7103 1 8 . 1 1 55 55 THR N N 55 121.006 121.006 117.667 3.339 18521 7104 1 8 . 1 1 55 55 THR HA H 55 3.923 3.923 4.132 -0.209 18521 7105 1 8 . 1 1 55 55 THR C C 55 177.066 177.066 176.810 0.256 18521 7106 1 8 . 1 1 55 55 THR CA C 55 67.018 67.018 66.263 0.755 18521 7107 1 8 . 1 1 55 55 THR CB C 55 68.725 68.725 68.520 0.205 18521 7108 1 8 . 1 1 55 55 THR H H 55 8.279 8.279 7.596 0.683 18521 7109 1 8 . 1 1 56 56 ILE N N 56 125.465 125.465 122.940 2.525 18521 7110 1 8 . 1 1 56 56 ILE HA H 56 3.748 3.748 3.821 -0.073 18521 7111 1 8 . 1 1 56 56 ILE C C 56 177.879 177.879 178.013 -0.134 18521 7112 1 8 . 1 1 56 56 ILE CA C 56 65.765 65.765 65.893 -0.128 18521 7113 1 8 . 1 1 56 56 ILE CB C 56 38.646 38.646 37.771 0.875 18521 7114 1 8 . 1 1 56 56 ILE H H 56 8.872 8.872 8.784 0.088 18521 7115 1 8 . 1 1 57 57 GLU N N 57 119.951 119.951 119.515 0.436 18521 7116 1 8 . 1 1 57 57 GLU HA H 57 4.034 4.034 4.007 0.027 18521 7117 1 8 . 1 1 57 57 GLU C C 57 179.357 179.357 179.219 0.138 18521 7118 1 8 . 1 1 57 57 GLU CA C 57 59.241 59.241 59.816 -0.575 18521 7119 1 8 . 1 1 57 57 GLU CB C 57 29.226 29.226 29.423 -0.197 18521 7120 1 8 . 1 1 57 57 GLU H H 57 8.024 8.024 8.137 -0.113 18521 7121 1 8 . 1 1 58 58 ALA N N 58 122.402 122.402 122.819 -0.417 18521 7122 1 8 . 1 1 58 58 ALA HA H 58 4.044 4.044 4.147 -0.103 18521 7123 1 8 . 1 1 58 58 ALA C C 58 180.049 180.049 179.709 0.340 18521 7124 1 8 . 1 1 58 58 ALA CA C 58 55.167 55.167 55.044 0.123 18521 7125 1 8 . 1 1 58 58 ALA CB C 58 17.836 17.836 18.389 -0.553 18521 7126 1 8 . 1 1 58 58 ALA H H 58 8.026 8.026 8.286 -0.260 18521 7127 1 8 . 1 1 59 59 PHE N N 59 122.034 122.034 120.457 1.577 18521 7128 1 8 . 1 1 59 59 PHE HA H 59 4.165 4.165 4.234 -0.069 18521 7129 1 8 . 1 1 59 59 PHE C C 59 177.169 177.169 177.260 -0.091 18521 7130 1 8 . 1 1 59 59 PHE CA C 59 61.373 61.373 61.194 0.179 18521 7131 1 8 . 1 1 59 59 PHE CB C 59 39.384 39.384 39.701 -0.317 18521 7132 1 8 . 1 1 59 59 PHE H H 59 8.243 8.243 8.791 -0.548 18521 7133 1 8 . 1 1 60 60 LYS N N 60 117.415 117.415 119.917 -2.502 18521 7134 1 8 . 1 1 60 60 LYS HA H 60 3.490 3.490 3.641 -0.151 18521 7135 1 8 . 1 1 60 60 LYS C C 60 179.705 179.705 178.735 0.970 18521 7136 1 8 . 1 1 60 60 LYS CA C 60 60.051 60.051 59.569 0.482 18521 7137 1 8 . 1 1 60 60 LYS CB C 60 32.376 32.376 32.612 -0.236 18521 7138 1 8 . 1 1 60 60 LYS H H 60 7.978 7.978 8.631 -0.653 18521 7139 1 8 . 1 1 61 61 LYS N N 61 119.540 119.540 117.796 1.744 18521 7140 1 8 . 1 1 61 61 LYS HA H 61 3.942 3.942 3.971 -0.029 18521 7141 1 8 . 1 1 61 61 LYS C C 61 178.728 178.728 178.792 -0.064 18521 7142 1 8 . 1 1 61 61 LYS CA C 61 58.878 58.878 59.427 -0.549 18521 7143 1 8 . 1 1 61 61 LYS CB C 61 32.626 32.626 32.274 0.352 18521 7144 1 8 . 1 1 61 61 LYS H H 61 7.853 7.853 8.252 -0.399 18521 7145 1 8 . 1 1 62 62 GLU N N 62 121.166 121.166 117.176 3.990 18521 7146 1 8 . 1 1 62 62 GLU HA H 62 3.933 3.933 4.023 -0.090 18521 7147 1 8 . 1 1 62 62 GLU C C 62 178.405 178.405 177.272 1.133 18521 7148 1 8 . 1 1 62 62 GLU CA C 62 58.655 58.655 58.424 0.231 18521 7149 1 8 . 1 1 62 62 GLU CB C 62 29.439 29.439 29.659 -0.220 18521 7150 1 8 . 1 1 62 62 GLU H H 62 7.956 7.956 7.628 0.328 18521 7151 1 8 . 1 1 63 63 ILE N N 63 117.896 117.896 116.466 1.430 18521 7152 1 8 . 1 1 63 63 ILE HA H 63 3.707 3.707 4.144 -0.437 18521 7153 1 8 . 1 1 63 63 ILE C C 63 177.438 177.438 176.537 0.901 18521 7154 1 8 . 1 1 63 63 ILE CA C 63 61.473 61.473 60.276 1.197 18521 7155 1 8 . 1 1 63 63 ILE CB C 63 36.546 36.546 38.960 -2.414 18521 7156 1 8 . 1 1 63 63 ILE H H 63 7.652 7.652 7.273 0.379 18521 7157 1 8 . 1 1 64 64 GLY N N 64 108.028 108.028 108.719 -0.691 18521 7158 1 8 . 1 1 64 64 GLY C C 64 175.261 175.261 175.263 -0.002 18521 7159 1 8 . 1 1 64 64 GLY CA C 64 45.891 45.891 47.168 -1.277 18521 7160 1 8 . 1 1 64 64 GLY H H 64 7.654 7.654 8.298 -0.644 18521 7161 1 8 . 1 1 65 65 GLY N N 65 108.488 108.488 107.732 0.756 18521 7162 1 8 . 1 1 65 65 GLY C C 65 174.844 174.844 175.258 -0.414 18521 7163 1 8 . 1 1 65 65 GLY CA C 65 45.608 45.608 45.550 0.058 18521 7164 1 8 . 1 1 65 65 GLY H H 65 7.817 7.817 8.095 -0.278 18521 7165 1 8 . 1 1 66 66 GLU N N 66 121.078 121.078 118.960 2.118 18521 7166 1 8 . 1 1 66 66 GLU HA H 66 4.167 4.167 4.113 0.054 18521 7167 1 8 . 1 1 66 66 GLU C C 66 177.218 177.218 177.120 0.098 18521 7168 1 8 . 1 1 66 66 GLU CA C 66 57.075 57.075 58.837 -1.762 18521 7169 1 8 . 1 1 66 66 GLU CB C 66 30.015 30.015 29.944 0.071 18521 7170 1 8 . 1 1 66 66 GLU H H 66 8.195 8.195 8.780 -0.585 18521 7171 1 8 . 1 1 67 67 SER N N 67 116.370 116.370 109.967 6.403 18521 7172 1 8 . 1 1 67 67 SER HA H 67 4.187 4.187 4.525 -0.338 18521 7173 1 8 . 1 1 67 67 SER C C 67 174.670 174.670 175.696 -1.026 18521 7174 1 8 . 1 1 67 67 SER CA C 67 58.875 58.875 59.283 -0.408 18521 7175 1 8 . 1 1 67 67 SER CB C 67 63.783 63.783 64.689 -0.906 18521 7176 1 8 . 1 1 67 67 SER H H 67 8.205 8.205 8.098 0.107 18521 7177 1 8 . 1 1 68 68 GLU N N 68 122.388 122.388 123.648 -1.260 18521 7178 1 8 . 1 1 68 68 GLU HA H 68 4.173 4.173 4.140 0.033 18521 7179 1 8 . 1 1 68 68 GLU C C 68 176.364 176.364 178.107 -1.743 18521 7180 1 8 . 1 1 68 68 GLU CA C 68 56.734 56.734 58.917 -2.183 18521 7181 1 8 . 1 1 68 68 GLU CB C 68 29.986 29.986 29.220 0.766 18521 7182 1 8 . 1 1 68 68 GLU H H 68 8.170 8.170 8.821 -0.651 18521 7183 1 8 . 1 1 69 69 ALA N N 69 124.265 124.265 120.728 3.537 18521 7184 1 8 . 1 1 69 69 ALA HA H 69 4.212 4.212 4.328 -0.116 18521 7185 1 8 . 1 1 69 69 ALA C C 69 178.042 178.042 178.567 -0.525 18521 7186 1 8 . 1 1 69 69 ALA CA C 69 52.468 52.468 54.567 -2.099 18521 7187 1 8 . 1 1 69 69 ALA CB C 69 19.411 19.411 18.362 1.049 18521 7188 1 8 . 1 1 69 69 ALA H H 69 7.931 7.931 8.034 -0.103 18521 7189 1 8 . 1 1 70 70 GLU N N 70 121.086 121.086 117.618 3.468 18521 7190 1 8 . 1 1 70 70 GLU HA H 70 4.110 4.110 3.978 0.132 18521 7191 1 8 . 1 1 70 70 GLU C C 70 180.047 180.047 177.854 2.193 18521 7192 1 8 . 1 1 70 70 GLU CA C 70 57.325 57.325 58.593 -1.268 18521 7193 1 8 . 1 1 70 70 GLU CB C 70 29.969 29.969 29.577 0.392 18521 7194 1 8 . 1 1 70 70 GLU H H 70 8.447 8.447 7.707 0.740 18521 7195 1 8 . 1 1 71 71 ASP N N 71 120.210 120.210 117.474 2.736 18521 7196 1 8 . 1 1 71 71 ASP HA H 71 4.545 4.545 4.535 0.010 18521 7197 1 8 . 1 1 71 71 ASP C C 71 176.385 176.385 176.696 -0.311 18521 7198 1 8 . 1 1 71 71 ASP CA C 71 54.149 54.149 56.321 -2.172 18521 7199 1 8 . 1 1 71 71 ASP CB C 71 40.756 40.756 41.223 -0.467 18521 7200 1 8 . 1 1 71 71 ASP H H 71 8.308 8.308 7.548 0.760 18521 7201 1 8 . 1 1 72 72 SER N N 72 116.137 116.137 113.271 2.866 18521 7202 1 8 . 1 1 72 72 SER HA H 72 4.259 4.259 4.648 -0.389 18521 7203 1 8 . 1 1 72 72 SER C C 72 174.578 174.578 173.108 1.470 18521 7204 1 8 . 1 1 72 72 SER CA C 72 58.851 58.851 57.646 1.205 18521 7205 1 8 . 1 1 72 72 SER CB C 72 63.870 63.870 63.230 0.640 18521 7206 1 8 . 1 1 72 72 SER H H 72 7.954 7.954 7.771 0.183 18521 7207 1 8 . 1 1 73 73 ASP N N 73 122.500 122.500 124.983 -2.483 18521 7208 1 8 . 1 1 73 73 ASP HA H 73 4.534 4.534 4.783 -0.249 18521 7209 1 8 . 1 1 73 73 ASP C C 73 176.903 176.903 176.247 0.656 18521 7210 1 8 . 1 1 73 73 ASP CA C 73 54.442 54.442 54.099 0.343 18521 7211 1 8 . 1 1 73 73 ASP CB C 73 41.253 41.253 40.193 1.060 18521 7212 1 8 . 1 1 73 73 ASP H H 73 8.384 8.384 8.809 -0.425 18521 7213 1 8 . 1 1 74 74 LYS N N 74 123.374 123.374 119.925 3.449 18521 7214 1 8 . 1 1 74 74 LYS HA H 74 4.099 4.099 4.391 -0.292 18521 7215 1 8 . 1 1 74 74 LYS C C 74 177.606 177.606 178.657 -1.051 18521 7216 1 8 . 1 1 74 74 LYS CA C 74 57.527 57.527 58.353 -0.826 18521 7217 1 8 . 1 1 74 74 LYS CB C 74 32.115 32.115 33.450 -1.335 18521 7218 1 8 . 1 1 74 74 LYS H H 74 8.338 8.338 7.618 0.720 18521 7219 1 8 . 1 1 75 75 SER N N 75 116.404 116.404 115.698 0.706 18521 7220 1 8 . 1 1 75 75 SER HA H 75 4.190 4.190 4.275 -0.085 18521 7221 1 8 . 1 1 75 75 SER C C 75 176.030 176.030 176.398 -0.368 18521 7222 1 8 . 1 1 75 75 SER CA C 75 60.560 60.560 61.387 -0.827 18521 7223 1 8 . 1 1 75 75 SER CB C 75 62.971 62.971 62.929 0.042 18521 7224 1 8 . 1 1 75 75 SER H H 75 8.409 8.409 8.318 0.091 18521 7225 1 8 . 1 1 76 76 LEU N N 76 123.753 123.753 123.294 0.459 18521 7226 1 8 . 1 1 76 76 LEU HA H 76 4.121 4.121 4.141 -0.020 18521 7227 1 8 . 1 1 76 76 LEU C C 76 178.263 178.263 177.573 0.690 18521 7228 1 8 . 1 1 76 76 LEU CA C 76 56.665 56.665 57.275 -0.610 18521 7229 1 8 . 1 1 76 76 LEU CB C 76 41.538 41.538 41.661 -0.123 18521 7230 1 8 . 1 1 76 76 LEU H H 76 8.068 8.068 7.826 0.242 18521 7231 1 8 . 1 1 77 77 HIS N N 77 120.235 120.235 118.443 1.792 18521 7232 1 8 . 1 1 77 77 HIS HA H 77 4.372 4.372 4.211 0.161 18521 7233 1 8 . 1 1 77 77 HIS C C 77 177.974 177.974 177.299 0.675 18521 7234 1 8 . 1 1 77 77 HIS CA C 77 58.504 58.504 59.949 -1.445 18521 7235 1 8 . 1 1 77 77 HIS CB C 77 30.124 30.124 29.498 0.626 18521 7236 1 8 . 1 1 77 77 HIS H H 77 7.955 7.955 8.245 -0.290 18521 7237 1 8 . 1 1 78 78 VAL N N 78 121.721 121.721 119.913 1.808 18521 7238 1 8 . 1 1 78 78 VAL HA H 78 3.612 3.612 3.577 0.035 18521 7239 1 8 . 1 1 78 78 VAL C C 78 177.688 177.688 177.635 0.053 18521 7240 1 8 . 1 1 78 78 VAL CA C 78 65.817 65.817 65.914 -0.097 18521 7241 1 8 . 1 1 78 78 VAL CB C 78 31.729 31.729 31.838 -0.109 18521 7242 1 8 . 1 1 78 78 VAL H H 78 7.953 7.953 7.596 0.357 18521 7243 1 8 . 1 1 79 79 MET N N 79 119.138 119.138 118.630 0.508 18521 7244 1 8 . 1 1 79 79 MET HA H 79 3.879 3.879 3.948 -0.069 18521 7245 1 8 . 1 1 79 79 MET C C 79 180.609 180.609 178.118 2.491 18521 7246 1 8 . 1 1 79 79 MET CA C 79 59.210 59.210 58.967 0.243 18521 7247 1 8 . 1 1 79 79 MET CB C 79 34.157 34.157 32.283 1.874 18521 7248 1 8 . 1 1 79 79 MET H H 79 8.132 8.132 7.818 0.314 18521 7249 1 8 . 1 1 80 80 ASN N N 80 117.000 117.000 117.271 -0.271 18521 7250 1 8 . 1 1 80 80 ASN HA H 80 4.161 4.161 4.315 -0.154 18521 7251 1 8 . 1 1 80 80 ASN C C 80 178.212 178.212 176.902 1.310 18521 7252 1 8 . 1 1 80 80 ASN CA C 80 56.827 56.827 56.166 0.661 18521 7253 1 8 . 1 1 80 80 ASN CB C 80 38.920 38.920 38.151 0.769 18521 7254 1 8 . 1 1 80 80 ASN H H 80 8.195 8.195 8.424 -0.229 18521 7255 1 8 . 1 1 81 81 THR N N 81 116.021 116.021 117.170 -1.149 18521 7256 1 8 . 1 1 81 81 THR HA H 81 3.975 3.975 3.988 -0.013 18521 7257 1 8 . 1 1 81 81 THR C C 81 175.237 175.237 176.336 -1.099 18521 7258 1 8 . 1 1 81 81 THR CA C 81 66.507 66.507 67.161 -0.654 18521 7259 1 8 . 1 1 81 81 THR CB C 81 68.813 68.813 68.565 0.248 18521 7260 1 8 . 1 1 81 81 THR H H 81 7.952 7.952 7.810 0.142 18521 7261 1 8 . 1 1 82 82 LEU N N 82 119.041 119.041 119.719 -0.678 18521 7262 1 8 . 1 1 82 82 LEU HA H 82 4.040 4.040 4.074 -0.034 18521 7263 1 8 . 1 1 82 82 LEU C C 82 177.541 177.541 177.966 -0.425 18521 7264 1 8 . 1 1 82 82 LEU CA C 82 56.468 56.468 57.537 -1.069 18521 7265 1 8 . 1 1 82 82 LEU CB C 82 42.247 42.247 41.767 0.480 18521 7266 1 8 . 1 1 82 82 LEU H H 82 7.655 7.655 7.486 0.169 18521 7267 1 8 . 1 1 83 83 ILE N N 83 118.063 118.063 116.151 1.912 18521 7268 1 8 . 1 1 83 83 ILE HA H 83 3.805 3.805 3.918 -0.113 18521 7269 1 8 . 1 1 83 83 ILE C C 83 176.681 176.681 178.692 -2.011 18521 7270 1 8 . 1 1 83 83 ILE CA C 83 63.188 63.188 63.863 -0.675 18521 7271 1 8 . 1 1 83 83 ILE CB C 83 37.939 37.939 38.335 -0.396 18521 7272 1 8 . 1 1 83 83 ILE H H 83 7.455 7.455 7.103 0.352 18521 7273 1 8 . 1 1 84 84 HIS N N 84 116.118 116.118 117.190 -1.072 18521 7274 1 8 . 1 1 84 84 HIS HA H 84 4.568 4.568 4.463 0.105 18521 7275 1 8 . 1 1 84 84 HIS C C 84 175.568 175.568 175.577 -0.009 18521 7276 1 8 . 1 1 84 84 HIS CA C 84 58.425 58.425 57.956 0.469 18521 7277 1 8 . 1 1 84 84 HIS CB C 84 31.801 31.801 30.345 1.456 18521 7278 1 8 . 1 1 84 84 HIS H H 84 7.168 7.168 8.495 -1.327 18521 7279 1 8 . 1 1 85 85 ASP N N 85 122.411 122.411 119.852 2.559 18521 7280 1 8 . 1 1 85 85 ASP HA H 85 4.546 4.546 4.740 -0.194 18521 7281 1 8 . 1 1 85 85 ASP C C 85 175.527 175.527 176.649 -1.122 18521 7282 1 8 . 1 1 85 85 ASP CA C 85 53.215 53.215 53.303 -0.088 18521 7283 1 8 . 1 1 85 85 ASP CB C 85 40.936 40.936 40.822 0.114 18521 7284 1 8 . 1 1 85 85 ASP H H 85 8.576 8.576 8.207 0.369 18521 7285 1 8 . 1 1 86 86 GLN N N 86 122.561 122.561 126.739 -4.178 18521 7286 1 8 . 1 1 86 86 GLN HA H 86 4.077 4.077 4.177 -0.100 18521 7287 1 8 . 1 1 86 86 GLN C C 86 178.518 178.518 177.901 0.617 18521 7288 1 8 . 1 1 86 86 GLN CA C 86 57.816 57.816 58.768 -0.952 18521 7289 1 8 . 1 1 86 86 GLN CB C 86 29.165 29.165 28.924 0.241 18521 7290 1 8 . 1 1 86 86 GLN H H 86 8.715 8.715 8.493 0.222 18521 7291 1 8 . 1 1 87 87 GLU N N 87 121.616 121.616 119.286 2.330 18521 7292 1 8 . 1 1 87 87 GLU HA H 87 4.042 4.042 3.705 0.337 18521 7293 1 8 . 1 1 87 87 GLU C C 87 178.154 178.154 178.009 0.145 18521 7294 1 8 . 1 1 87 87 GLU CA C 87 59.051 59.051 59.170 -0.119 18521 7295 1 8 . 1 1 87 87 GLU CB C 87 29.231 29.231 29.536 -0.305 18521 7296 1 8 . 1 1 87 87 GLU H H 87 8.073 8.073 8.138 -0.065 18521 7297 1 8 . 1 1 88 88 LYS N N 88 119.006 119.006 119.426 -0.420 18521 7298 1 8 . 1 1 88 88 LYS HA H 88 3.754 3.754 3.991 -0.237 18521 7299 1 8 . 1 1 88 88 LYS C C 88 177.129 177.129 178.597 -1.468 18521 7300 1 8 . 1 1 88 88 LYS CA C 88 59.721 59.721 59.046 0.675 18521 7301 1 8 . 1 1 88 88 LYS CB C 88 32.253 32.253 32.470 -0.217 18521 7302 1 8 . 1 1 88 88 LYS H H 88 7.525 7.525 7.924 -0.399 18521 7303 1 8 . 1 1 89 89 ALA N N 89 121.945 121.945 121.499 0.446 18521 7304 1 8 . 1 1 89 89 ALA HA H 89 3.734 3.734 4.034 -0.300 18521 7305 1 8 . 1 1 89 89 ALA C C 89 177.545 177.545 178.960 -1.415 18521 7306 1 8 . 1 1 89 89 ALA CA C 89 55.977 55.977 55.117 0.860 18521 7307 1 8 . 1 1 89 89 ALA CB C 89 18.763 18.763 18.022 0.741 18521 7308 1 8 . 1 1 89 89 ALA H H 89 8.472 8.472 8.168 0.304 18521 7309 1 8 . 1 1 90 90 LYS N N 90 117.743 117.743 119.020 -1.277 18521 7310 1 8 . 1 1 90 90 LYS HA H 90 4.015 4.015 2.603 1.412 18521 7311 1 8 . 1 1 90 90 LYS C C 90 177.667 177.667 178.430 -0.763 18521 7312 1 8 . 1 1 90 90 LYS CA C 90 58.703 58.703 58.651 0.052 18521 7313 1 8 . 1 1 90 90 LYS CB C 90 32.779 32.779 31.387 1.393 18521 7314 1 8 . 1 1 90 90 LYS H H 90 6.684 6.684 7.645 -0.961 18521 7315 1 8 . 1 1 91 91 ILE N N 91 117.216 117.216 118.960 -1.744 18521 7316 1 8 . 1 1 91 91 ILE HA H 91 3.414 3.414 3.578 -0.164 18521 7317 1 8 . 1 1 91 91 ILE C C 91 178.422 178.422 177.809 0.613 18521 7318 1 8 . 1 1 91 91 ILE CA C 91 64.094 64.094 65.119 -1.025 18521 7319 1 8 . 1 1 91 91 ILE CB C 91 37.481 37.481 37.765 -0.284 18521 7320 1 8 . 1 1 91 91 ILE H H 91 7.196 7.196 7.365 -0.169 18521 7321 1 8 . 1 1 92 92 TYR N N 92 122.201 122.201 121.453 0.748 18521 7322 1 8 . 1 1 92 92 TYR HA H 92 4.047 4.047 4.309 -0.262 18521 7323 1 8 . 1 1 92 92 TYR C C 92 177.726 177.726 177.650 0.076 18521 7324 1 8 . 1 1 92 92 TYR CA C 92 61.771 61.771 61.208 0.563 18521 7325 1 8 . 1 1 92 92 TYR CB C 92 39.295 39.295 38.410 0.885 18521 7326 1 8 . 1 1 92 92 TYR H H 92 8.466 8.466 7.689 0.777 18521 7327 1 8 . 1 1 93 93 MET N N 93 117.420 117.420 119.634 -2.214 18521 7328 1 8 . 1 1 93 93 MET HA H 93 3.896 3.896 3.976 -0.080 18521 7329 1 8 . 1 1 93 93 MET C C 93 180.221 180.221 177.845 2.376 18521 7330 1 8 . 1 1 93 93 MET CA C 93 57.586 57.586 58.091 -0.505 18521 7331 1 8 . 1 1 93 93 MET CB C 93 30.854 30.854 32.200 -1.346 18521 7332 1 8 . 1 1 93 93 MET H H 93 8.269 8.269 8.589 -0.320 18521 7333 1 8 . 1 1 94 94 LEU N N 94 125.183 125.183 120.276 4.907 18521 7334 1 8 . 1 1 94 94 LEU HA H 94 3.826 3.826 3.890 -0.064 18521 7335 1 8 . 1 1 94 94 LEU C C 94 177.787 177.787 178.181 -0.394 18521 7336 1 8 . 1 1 94 94 LEU CA C 94 58.729 58.729 58.476 0.253 18521 7337 1 8 . 1 1 94 94 LEU CB C 94 42.188 42.188 41.594 0.594 18521 7338 1 8 . 1 1 94 94 LEU H H 94 8.733 8.733 8.297 0.436 18521 7339 1 8 . 1 1 95 95 ASN N N 95 121.517 121.517 118.578 2.939 18521 7340 1 8 . 1 1 95 95 ASN HA H 95 4.184 4.184 4.299 -0.115 18521 7341 1 8 . 1 1 95 95 ASN C C 95 178.481 178.481 177.714 0.767 18521 7342 1 8 . 1 1 95 95 ASN CA C 95 56.312 56.312 56.863 -0.551 18521 7343 1 8 . 1 1 95 95 ASN H H 95 8.951 8.951 8.272 0.679 18521 7344 1 8 . 1 1 96 96 PHE N N 96 122.778 122.778 121.565 1.213 18521 7345 1 8 . 1 1 96 96 PHE HA H 96 4.341 4.341 4.110 0.231 18521 7346 1 8 . 1 1 96 96 PHE C C 96 177.925 177.925 176.805 1.120 18521 7347 1 8 . 1 1 96 96 PHE CA C 96 62.427 62.427 61.746 0.681 18521 7348 1 8 . 1 1 96 96 PHE H H 96 8.454 8.454 8.559 -0.105 18521 7349 1 8 . 1 1 97 97 THR N N 97 117.115 117.115 116.670 0.445 18521 7350 1 8 . 1 1 97 97 THR HA H 97 3.369 3.369 3.805 -0.436 18521 7351 1 8 . 1 1 97 97 THR C C 97 176.185 176.185 176.907 -0.722 18521 7352 1 8 . 1 1 97 97 THR CA C 97 68.090 68.090 67.038 1.052 18521 7353 1 8 . 1 1 97 97 THR CB C 97 68.087 68.087 68.390 -0.303 18521 7354 1 8 . 1 1 97 97 THR H H 97 8.209 8.209 8.633 -0.424 18521 7355 1 8 . 1 1 98 98 MET N N 98 119.373 119.373 120.397 -1.024 18521 7356 1 8 . 1 1 98 98 MET HA H 98 4.360 4.360 4.396 -0.036 18521 7357 1 8 . 1 1 98 98 MET C C 98 177.887 177.887 178.683 -0.796 18521 7358 1 8 . 1 1 98 98 MET CA C 98 58.143 58.143 58.141 0.002 18521 7359 1 8 . 1 1 98 98 MET CB C 98 31.948 31.948 31.542 0.406 18521 7360 1 8 . 1 1 98 98 MET H H 98 8.958 8.958 8.930 0.028 18521 7361 1 8 . 1 1 99 99 SER N N 99 114.517 114.517 116.531 -2.014 18521 7362 1 8 . 1 1 99 99 SER HA H 99 4.043 4.043 4.144 -0.101 18521 7363 1 8 . 1 1 99 99 SER C C 99 176.195 176.195 176.860 -0.665 18521 7364 1 8 . 1 1 99 99 SER CA C 99 62.481 62.481 61.541 0.940 18521 7365 1 8 . 1 1 99 99 SER CB C 99 62.692 62.692 62.411 0.281 18521 7366 1 8 . 1 1 99 99 SER H H 99 7.708 7.708 8.122 -0.414 18521 7367 1 8 . 1 1 100 100 LEU N N 100 125.126 125.126 123.679 1.447 18521 7368 1 8 . 1 1 100 100 LEU HA H 100 3.913 3.913 3.979 -0.066 18521 7369 1 8 . 1 1 100 100 LEU C C 100 177.327 177.327 177.919 -0.592 18521 7370 1 8 . 1 1 100 100 LEU CA C 100 58.005 58.005 57.420 0.585 18521 7371 1 8 . 1 1 100 100 LEU CB C 100 41.841 41.841 41.677 0.164 18521 7372 1 8 . 1 1 100 100 LEU H H 100 7.277 7.277 7.694 -0.417 18521 7373 1 8 . 1 1 101 101 TYR N N 101 120.940 120.940 119.730 1.210 18521 7374 1 8 . 1 1 101 101 TYR HA H 101 4.143 4.143 4.088 0.055 18521 7375 1 8 . 1 1 101 101 TYR C C 101 176.784 176.784 177.512 -0.728 18521 7376 1 8 . 1 1 101 101 TYR CA C 101 61.543 61.543 61.598 -0.055 18521 7377 1 8 . 1 1 101 101 TYR CB C 101 40.909 40.909 38.343 2.567 18521 7378 1 8 . 1 1 101 101 TYR H H 101 8.858 8.858 8.804 0.054 18521 7379 1 8 . 1 1 102 102 ASN N N 102 119.067 119.067 117.251 1.816 18521 7380 1 8 . 1 1 102 102 ASN HA H 102 4.116 4.116 4.127 -0.011 18521 7381 1 8 . 1 1 102 102 ASN C C 102 178.713 178.713 177.442 1.271 18521 7382 1 8 . 1 1 102 102 ASN CA C 102 55.734 55.734 55.950 -0.216 18521 7383 1 8 . 1 1 102 102 ASN H H 102 8.700 8.700 8.747 -0.047 18521 7384 1 8 . 1 1 103 103 GLU N N 103 119.558 119.558 119.925 -0.367 18521 7385 1 8 . 1 1 103 103 GLU HA H 103 3.944 3.944 3.901 0.043 18521 7386 1 8 . 1 1 103 103 GLU C C 103 179.012 179.012 178.991 0.021 18521 7387 1 8 . 1 1 103 103 GLU CA C 103 59.506 59.506 59.551 -0.045 18521 7388 1 8 . 1 1 103 103 GLU CB C 103 29.349 29.349 29.478 -0.129 18521 7389 1 8 . 1 1 103 103 GLU H H 103 7.599 7.599 7.981 -0.382 18521 7390 1 8 . 1 1 104 104 LYS N N 104 120.218 120.218 118.840 1.378 18521 7391 1 8 . 1 1 104 104 LYS HA H 104 4.051 4.051 4.044 0.007 18521 7392 1 8 . 1 1 104 104 LYS C C 104 178.477 178.477 178.940 -0.463 18521 7393 1 8 . 1 1 104 104 LYS CA C 104 56.534 56.534 58.157 -1.623 18521 7394 1 8 . 1 1 104 104 LYS CB C 104 29.108 29.108 32.118 -3.010 18521 7395 1 8 . 1 1 104 104 LYS H H 104 8.311 8.311 7.560 0.751 18521 7396 1 8 . 1 1 105 105 LEU N N 105 122.110 122.110 120.342 1.768 18521 7397 1 8 . 1 1 105 105 LEU HA H 105 3.774 3.774 3.905 -0.131 18521 7398 1 8 . 1 1 105 105 LEU C C 105 180.224 180.224 178.561 1.663 18521 7399 1 8 . 1 1 105 105 LEU CA C 105 58.148 58.148 57.626 0.522 18521 7400 1 8 . 1 1 105 105 LEU CB C 105 42.394 42.394 41.429 0.965 18521 7401 1 8 . 1 1 105 105 LEU H H 105 8.604 8.604 7.817 0.787 18521 7402 1 8 . 1 1 106 106 LYS N N 106 119.031 119.031 119.289 -0.258 18521 7403 1 8 . 1 1 106 106 LYS HA H 106 4.035 4.035 3.792 0.243 18521 7404 1 8 . 1 1 106 106 LYS C C 106 178.496 178.496 178.904 -0.408 18521 7405 1 8 . 1 1 106 106 LYS CA C 106 59.820 59.820 59.453 0.367 18521 7406 1 8 . 1 1 106 106 LYS CB C 106 31.956 31.956 32.117 -0.162 18521 7407 1 8 . 1 1 106 106 LYS H H 106 7.339 7.339 8.024 -0.685 18521 7408 1 8 . 1 1 107 107 GLN N N 107 121.417 121.417 117.325 4.092 18521 7409 1 8 . 1 1 107 107 GLN HA H 107 3.744 3.744 3.822 -0.079 18521 7410 1 8 . 1 1 107 107 GLN C C 107 178.103 178.103 178.801 -0.698 18521 7411 1 8 . 1 1 107 107 GLN CA C 107 58.582 58.582 58.023 0.559 18521 7412 1 8 . 1 1 107 107 GLN CB C 107 26.969 26.969 27.942 -0.973 18521 7413 1 8 . 1 1 107 107 GLN H H 107 7.590 7.590 7.492 0.098 18521 7414 1 8 . 1 1 108 108 LEU N N 108 120.629 120.629 118.841 1.788 18521 7415 1 8 . 1 1 108 108 LEU HA H 108 3.806 3.806 4.485 -0.679 18521 7416 1 8 . 1 1 108 108 LEU C C 108 178.978 178.978 178.509 0.469 18521 7417 1 8 . 1 1 108 108 LEU CA C 108 58.306 58.306 57.389 0.917 18521 7418 1 8 . 1 1 108 108 LEU CB C 108 42.112 42.112 41.801 0.311 18521 7419 1 8 . 1 1 108 108 LEU H H 108 8.450 8.450 7.393 1.057 18521 7420 1 8 . 1 1 109 109 LYS N N 109 119.584 119.584 117.434 2.150 18521 7421 1 8 . 1 1 109 109 LYS HA H 109 4.166 4.166 4.088 0.078 18521 7422 1 8 . 1 1 109 109 LYS C C 109 177.859 177.859 177.101 0.758 18521 7423 1 8 . 1 1 109 109 LYS CA C 109 58.746 58.746 58.720 0.026 18521 7424 1 8 . 1 1 109 109 LYS CB C 109 32.637 32.637 32.768 -0.131 18521 7425 1 8 . 1 1 109 109 LYS H H 109 7.295 7.295 7.755 -0.460 18521 7426 1 8 . 1 1 110 110 ASP N N 110 116.950 116.950 113.263 3.687 18521 7427 1 8 . 1 1 110 110 ASP HA H 110 4.604 4.604 4.993 -0.389 18521 7428 1 8 . 1 1 110 110 ASP C C 110 177.157 177.157 174.960 2.197 18521 7429 1 8 . 1 1 110 110 ASP CA C 110 55.768 55.768 54.387 1.381 18521 7430 1 8 . 1 1 110 110 ASP CB C 110 42.724 42.724 43.344 -0.620 18521 7431 1 8 . 1 1 110 110 ASP H H 110 7.807 7.807 7.720 0.087 18521 7432 1 8 . 1 1 111 111 GLY N N 111 114.046 114.046 110.168 3.878 18521 7433 1 8 . 1 1 111 111 GLY CA C 111 41.845 41.845 44.300 -2.454 18521 7434 1 8 . 1 1 111 111 GLY H H 111 8.554 8.554 7.353 1.201 18521 7435 1 8 . 1 1 112 112 PRO HA H 112 4.552 4.552 4.039 0.513 18521 7436 1 8 . 1 1 112 112 PRO C C 112 174.967 174.967 175.767 -0.800 18521 7437 1 8 . 1 1 112 112 PRO CA C 112 61.222 61.222 62.780 -1.558 18521 7438 1 8 . 1 1 112 112 PRO CB C 112 35.056 35.056 32.169 2.887 18521 7439 1 8 . 1 1 113 113 TRP N N 113 123.139 123.139 122.935 0.204 18521 7440 1 8 . 1 1 113 113 TRP HA H 113 4.650 4.650 4.835 -0.185 18521 7441 1 8 . 1 1 113 113 TRP C C 113 174.604 174.604 175.401 -0.797 18521 7442 1 8 . 1 1 113 113 TRP CA C 113 58.154 58.154 56.694 1.460 18521 7443 1 8 . 1 1 113 113 TRP CB C 113 27.048 27.048 31.167 -4.119 18521 7444 1 8 . 1 1 113 113 TRP H H 113 8.671 8.671 8.555 0.116 18521 7445 1 8 . 1 1 114 114 ASP N N 114 121.440 121.440 118.878 2.562 18521 7446 1 8 . 1 1 114 114 ASP HA H 114 4.930 4.930 4.792 0.138 18521 7447 1 8 . 1 1 114 114 ASP C C 114 176.979 176.979 176.057 0.922 18521 7448 1 8 . 1 1 114 114 ASP CA C 114 52.223 52.223 52.737 -0.514 18521 7449 1 8 . 1 1 114 114 ASP CB C 114 43.192 43.192 42.196 0.996 18521 7450 1 8 . 1 1 114 114 ASP H H 114 6.950 6.950 8.135 -1.185 18521 7451 1 8 . 1 1 115 115 VAL N N 115 118.386 118.386 120.272 -1.886 18521 7452 1 8 . 1 1 115 115 VAL HA H 115 3.825 3.825 3.794 0.031 18521 7453 1 8 . 1 1 115 115 VAL C C 115 177.760 177.760 178.042 -0.282 18521 7454 1 8 . 1 1 115 115 VAL CA C 115 65.611 65.611 65.340 0.271 18521 7455 1 8 . 1 1 115 115 VAL CB C 115 31.657 31.657 32.080 -0.423 18521 7456 1 8 . 1 1 115 115 VAL H H 115 8.181 8.181 8.369 -0.188 18521 7457 1 8 . 1 1 116 116 MET N N 116 120.354 120.354 118.642 1.712 18521 7458 1 8 . 1 1 116 116 MET HA H 116 4.284 4.284 4.142 0.142 18521 7459 1 8 . 1 1 116 116 MET C C 116 179.336 179.336 178.187 1.149 18521 7460 1 8 . 1 1 116 116 MET CA C 116 57.392 57.392 58.835 -1.443 18521 7461 1 8 . 1 1 116 116 MET CB C 116 30.450 30.450 32.223 -1.773 18521 7462 1 8 . 1 1 116 116 MET H H 116 7.661 7.661 7.944 -0.283 18521 7463 1 8 . 1 1 117 117 LEU N N 117 125.774 125.774 120.472 5.302 18521 7464 1 8 . 1 1 117 117 LEU HA H 117 4.129 4.129 4.120 0.009 18521 7465 1 8 . 1 1 117 117 LEU C C 117 178.399 178.399 178.473 -0.074 18521 7466 1 8 . 1 1 117 117 LEU CA C 117 58.353 58.353 58.613 -0.260 18521 7467 1 8 . 1 1 117 117 LEU CB C 117 40.392 40.392 41.724 -1.332 18521 7468 1 8 . 1 1 117 117 LEU H H 117 8.179 8.179 8.915 -0.736 18521 7469 1 8 . 1 1 118 118 LYS N N 118 118.471 118.471 118.826 -0.355 18521 7470 1 8 . 1 1 118 118 LYS HA H 118 3.824 3.824 3.960 -0.136 18521 7471 1 8 . 1 1 118 118 LYS C C 118 178.259 178.259 179.083 -0.824 18521 7472 1 8 . 1 1 118 118 LYS CA C 118 60.497 60.497 59.978 0.519 18521 7473 1 8 . 1 1 118 118 LYS CB C 118 32.355 32.355 32.305 0.050 18521 7474 1 8 . 1 1 118 118 LYS H H 118 7.359 7.359 7.492 -0.133 18521 7475 1 8 . 1 1 119 119 ARG N N 119 117.838 117.838 118.214 -0.376 18521 7476 1 8 . 1 1 119 119 ARG HA H 119 4.158 4.158 4.242 -0.084 18521 7477 1 8 . 1 1 119 119 ARG C C 119 180.132 180.132 179.197 0.935 18521 7478 1 8 . 1 1 119 119 ARG CA C 119 59.535 59.535 59.503 0.032 18521 7479 1 8 . 1 1 119 119 ARG CB C 119 29.994 29.994 30.386 -0.392 18521 7480 1 8 . 1 1 119 119 ARG H H 119 8.316 8.316 8.109 0.207 18521 7481 1 8 . 1 1 120 120 SER N N 120 117.258 117.258 116.140 1.118 18521 7482 1 8 . 1 1 120 120 SER HA H 120 4.374 4.374 4.334 0.040 18521 7483 1 8 . 1 1 120 120 SER C C 120 176.034 176.034 176.851 -0.817 18521 7484 1 8 . 1 1 120 120 SER CA C 120 62.728 62.728 61.528 1.200 18521 7485 1 8 . 1 1 120 120 SER CB C 120 63.050 63.050 62.720 0.330 18521 7486 1 8 . 1 1 120 120 SER H H 120 8.598 8.598 8.181 0.417 18521 7487 1 8 . 1 1 121 121 LEU N N 121 125.307 125.307 123.256 2.051 18521 7488 1 8 . 1 1 121 121 LEU HA H 121 4.192 4.192 4.187 0.005 18521 7489 1 8 . 1 1 121 121 LEU C C 121 179.621 179.621 178.812 0.809 18521 7490 1 8 . 1 1 121 121 LEU CA C 121 58.894 58.894 57.939 0.955 18521 7491 1 8 . 1 1 121 121 LEU CB C 121 41.188 41.188 41.654 -0.466 18521 7492 1 8 . 1 1 121 121 LEU H H 121 8.250 8.250 8.112 0.138 18521 7493 1 8 . 1 1 122 122 TRP N N 122 120.444 120.444 119.255 1.189 18521 7494 1 8 . 1 1 122 122 TRP HA H 122 4.368 4.368 4.374 -0.006 18521 7495 1 8 . 1 1 122 122 TRP C C 122 176.943 176.943 178.570 -1.627 18521 7496 1 8 . 1 1 122 122 TRP CA C 122 61.452 61.452 61.686 -0.234 18521 7497 1 8 . 1 1 122 122 TRP CB C 122 29.823 29.823 29.109 0.714 18521 7498 1 8 . 1 1 122 122 TRP H H 122 7.873 7.873 7.779 0.094 18521 7499 1 8 . 1 1 123 123 CYS N N 123 120.188 120.188 119.485 0.703 18521 7500 1 8 . 1 1 123 123 CYS HA H 123 4.264 4.264 4.244 0.020 18521 7501 1 8 . 1 1 123 123 CYS C C 123 176.875 176.875 176.865 0.010 18521 7502 1 8 . 1 1 123 123 CYS CA C 123 60.573 60.573 62.863 -2.290 18521 7503 1 8 . 1 1 123 123 CYS CB C 123 25.642 25.642 26.706 -1.064 18521 7504 1 8 . 1 1 123 123 CYS H H 123 8.271 8.271 7.934 0.337 18521 7505 1 8 . 1 1 124 124 CYS N N 124 116.760 116.760 119.272 -2.512 18521 7506 1 8 . 1 1 124 124 CYS HA H 124 3.880 3.880 4.074 -0.194 18521 7507 1 8 . 1 1 124 124 CYS C C 124 175.810 175.810 176.717 -0.907 18521 7508 1 8 . 1 1 124 124 CYS CA C 124 65.646 65.646 64.889 0.757 18521 7509 1 8 . 1 1 124 124 CYS CB C 124 28.069 28.069 27.707 0.362 18521 7510 1 8 . 1 1 124 124 CYS H H 124 8.208 8.208 7.883 0.325 18521 7511 1 8 . 1 1 125 125 ILE N N 125 121.167 121.167 121.562 -0.395 18521 7512 1 8 . 1 1 125 125 ILE HA H 125 3.580 3.580 3.822 -0.242 18521 7513 1 8 . 1 1 125 125 ILE C C 125 179.302 179.302 177.614 1.688 18521 7514 1 8 . 1 1 125 125 ILE CA C 125 67.663 67.663 65.903 1.760 18521 7515 1 8 . 1 1 125 125 ILE CB C 125 37.988 37.988 37.524 0.464 18521 7516 1 8 . 1 1 125 125 ILE H H 125 8.073 8.073 7.862 0.211 18521 7517 1 8 . 1 1 126 126 ASP N N 126 124.812 124.812 120.301 4.511 18521 7518 1 8 . 1 1 126 126 ASP HA H 126 4.622 4.622 4.535 0.087 18521 7519 1 8 . 1 1 126 126 ASP C C 126 178.091 178.091 179.095 -1.004 18521 7520 1 8 . 1 1 126 126 ASP CA C 126 58.885 58.885 57.572 1.313 18521 7521 1 8 . 1 1 126 126 ASP CB C 126 40.408 40.408 40.354 0.054 18521 7522 1 8 . 1 1 126 126 ASP H H 126 8.778 8.778 7.843 0.935 18521 7523 1 8 . 1 1 127 127 LEU N N 127 122.531 122.531 120.003 2.528 18521 7524 1 8 . 1 1 127 127 LEU HA H 127 3.841 3.841 3.848 -0.007 18521 7525 1 8 . 1 1 127 127 LEU C C 127 179.582 179.582 178.953 0.629 18521 7526 1 8 . 1 1 127 127 LEU CA C 127 58.632 58.632 57.885 0.747 18521 7527 1 8 . 1 1 127 127 LEU CB C 127 42.680 42.680 41.600 1.080 18521 7528 1 8 . 1 1 127 127 LEU H H 127 8.888 8.888 7.375 1.513 18521 7529 1 8 . 1 1 128 128 ILE N N 128 121.311 121.311 119.153 2.158 18521 7530 1 8 . 1 1 128 128 ILE HA H 128 3.938 3.938 3.680 0.258 18521 7531 1 8 . 1 1 128 128 ILE C C 128 176.725 176.725 178.244 -1.519 18521 7532 1 8 . 1 1 128 128 ILE CA C 128 60.922 60.922 65.257 -4.335 18521 7533 1 8 . 1 1 128 128 ILE CB C 128 38.971 38.971 37.175 1.796 18521 7534 1 8 . 1 1 128 128 ILE H H 128 7.469 7.469 7.680 -0.211 18521 7535 1 8 . 1 1 129 129 ASN N N 129 122.727 122.727 118.343 4.384 18521 7536 1 8 . 1 1 129 129 ASN HA H 129 4.582 4.582 4.375 0.207 18521 7537 1 8 . 1 1 129 129 ASN C C 129 177.132 177.132 177.086 0.046 18521 7538 1 8 . 1 1 129 129 ASN CA C 129 52.982 52.982 57.283 -4.301 18521 7539 1 8 . 1 1 129 129 ASN CB C 129 38.792 38.792 38.420 0.372 18521 7540 1 8 . 1 1 129 129 ASN H H 129 8.173 8.173 8.172 0.001 18521 7541 1 8 . 1 1 130 130 ILE N N 130 120.527 120.527 121.984 -1.457 18521 7542 1 8 . 1 1 130 130 ILE HA H 130 4.305 4.305 2.194 2.111 18521 7543 1 8 . 1 1 130 130 ILE C C 130 175.796 175.796 177.148 -1.352 18521 7544 1 8 . 1 1 130 130 ILE CA C 130 61.246 61.246 63.889 -2.643 18521 7545 1 8 . 1 1 130 130 ILE CB C 130 38.797 38.797 37.218 1.579 18521 7546 1 8 . 1 1 130 130 ILE H H 130 8.096 8.096 7.527 0.569 18521 7547 1 8 . 1 1 131 131 ASP N N 131 122.165 122.165 121.818 0.347 18521 7548 1 8 . 1 1 131 131 ASP HA H 131 4.416 4.416 3.958 0.458 18521 7549 1 8 . 1 1 131 131 ASP C C 131 176.750 176.750 178.355 -1.605 18521 7550 1 8 . 1 1 131 131 ASP CA C 131 55.955 55.955 57.844 -1.889 18521 7551 1 8 . 1 1 131 131 ASP CB C 131 41.117 41.117 40.734 0.383 18521 7552 1 8 . 1 1 131 131 ASP H H 131 8.157 8.157 7.747 0.410 18521 7553 1 8 . 1 1 132 132 LYS N N 132 119.537 119.537 117.856 1.681 18521 7554 1 8 . 1 1 132 132 LYS HA H 132 4.373 4.373 3.936 0.437 18521 7555 1 8 . 1 1 132 132 LYS C C 132 176.405 176.405 178.474 -2.069 18521 7556 1 8 . 1 1 132 132 LYS CA C 132 55.699 55.699 58.950 -3.251 18521 7557 1 8 . 1 1 132 132 LYS CB C 132 32.822 32.822 32.143 0.679 18521 7558 1 8 . 1 1 132 132 LYS H H 132 8.023 8.023 7.504 0.519 18521 7559 1 8 . 1 1 133 133 LEU N N 133 120.242 120.242 120.008 0.234 18521 7560 1 8 . 1 1 133 133 LEU HA H 133 4.158 4.158 4.228 -0.070 18521 7561 1 8 . 1 1 133 133 LEU C C 133 178.449 178.449 178.914 -0.465 18521 7562 1 8 . 1 1 133 133 LEU CA C 133 57.538 57.538 57.828 -0.290 18521 7563 1 8 . 1 1 133 133 LEU CB C 133 41.572 41.572 42.756 -1.184 18521 7564 1 8 . 1 1 133 133 LEU H H 133 8.024 8.024 7.571 0.453 18521 7565 1 8 . 1 1 134 134 GLN N N 134 117.985 117.985 116.667 1.318 18521 7566 1 8 . 1 1 134 134 GLN HA H 134 4.018 4.018 3.775 0.243 18521 7567 1 8 . 1 1 134 134 GLN C C 134 179.500 179.500 177.044 2.456 18521 7568 1 8 . 1 1 134 134 GLN CA C 134 58.175 58.175 57.661 0.514 18521 7569 1 8 . 1 1 134 134 GLN CB C 134 29.102 29.102 28.111 0.990 18521 7570 1 8 . 1 1 134 134 GLN H H 134 8.536 8.536 7.940 0.596 18521 7571 1 8 . 1 1 135 135 TRP N N 135 115.550 115.550 115.787 -0.237 18521 7572 1 8 . 1 1 135 135 TRP HA H 135 4.991 4.991 4.925 0.066 18521 7573 1 8 . 1 1 135 135 TRP C C 135 175.170 175.170 175.382 -0.212 18521 7574 1 8 . 1 1 135 135 TRP CA C 135 59.426 59.426 55.922 3.504 18521 7575 1 8 . 1 1 135 135 TRP CB C 135 26.894 26.894 28.191 -1.297 18521 7576 1 8 . 1 1 135 135 TRP H H 135 7.727 7.727 7.305 0.422 18521 7577 1 8 . 1 1 136 136 LYS N N 136 119.841 119.841 120.665 -0.824 18521 7578 1 8 . 1 1 136 136 LYS HA H 136 3.830 3.830 4.041 -0.211 18521 7579 1 8 . 1 1 136 136 LYS C C 136 178.330 178.330 178.816 -0.486 18521 7580 1 8 . 1 1 136 136 LYS CA C 136 60.194 60.194 60.357 -0.163 18521 7581 1 8 . 1 1 136 136 LYS CB C 136 32.902 32.902 32.428 0.474 18521 7582 1 8 . 1 1 136 136 LYS H H 136 6.580 6.580 7.715 -1.135 18521 7583 1 8 . 1 1 137 137 GLU N N 137 115.250 115.250 116.037 -0.787 18521 7584 1 8 . 1 1 137 137 GLU HA H 137 4.177 4.177 4.157 0.020 18521 7585 1 8 . 1 1 137 137 GLU C C 137 176.698 176.698 177.122 -0.424 18521 7586 1 8 . 1 1 137 137 GLU CA C 137 57.766 57.766 58.397 -0.631 18521 7587 1 8 . 1 1 137 137 GLU CB C 137 29.221 29.221 29.367 -0.146 18521 7588 1 8 . 1 1 137 137 GLU H H 137 8.549 8.549 8.779 -0.230 18521 7589 1 8 . 1 1 138 138 ASN N N 138 116.578 116.578 115.576 1.002 18521 7590 1 8 . 1 1 138 138 ASN HA H 138 4.943 4.943 4.742 0.201 18521 7591 1 8 . 1 1 138 138 ASN C C 138 173.448 173.448 174.459 -1.011 18521 7592 1 8 . 1 1 138 138 ASN CA C 138 52.681 52.681 53.462 -0.781 18521 7593 1 8 . 1 1 138 138 ASN CB C 138 40.833 40.833 39.565 1.268 18521 7594 1 8 . 1 1 138 138 ASN H H 138 8.337 8.337 7.669 0.668 18521 7595 1 8 . 1 1 139 139 ILE N N 139 120.835 120.835 120.517 0.318 18521 7596 1 8 . 1 1 139 139 ILE HA H 139 4.339 4.339 4.287 0.052 18521 7597 1 8 . 1 1 139 139 ILE C C 139 175.219 175.219 175.435 -0.216 18521 7598 1 8 . 1 1 139 139 ILE CA C 139 60.867 60.867 60.583 0.284 18521 7599 1 8 . 1 1 139 139 ILE CB C 139 40.270 40.270 39.993 0.277 18521 7600 1 8 . 1 1 139 139 ILE H H 139 7.138 7.138 7.261 -0.123 18521 7601 1 8 . 1 1 140 140 MET N N 140 123.319 123.319 122.328 0.991 18521 7602 1 8 . 1 1 140 140 MET HA H 140 4.324 4.324 4.516 -0.192 18521 7603 1 8 . 1 1 140 140 MET C C 140 177.931 177.931 177.054 0.877 18521 7604 1 8 . 1 1 140 140 MET CA C 140 58.511 58.511 55.142 3.369 18521 7605 1 8 . 1 1 140 140 MET CB C 140 65.156 65.156 64.231 0.925 18521 7606 1 8 . 1 1 140 140 MET H H 140 8.714 8.714 8.740 -0.026 18521 7607 1 8 . 1 1 141 141 LEU N N 141 120.610 120.610 123.632 -3.022 18521 7608 1 8 . 1 1 141 141 LEU HA H 141 4.047 4.047 4.041 0.006 18521 7609 1 8 . 1 1 141 141 LEU C C 141 177.281 177.281 178.783 -1.502 18521 7610 1 8 . 1 1 141 141 LEU CA C 141 58.362 58.362 58.496 -0.134 18521 7611 1 8 . 1 1 141 141 LEU H H 141 8.333 8.333 8.965 -0.632 18521 7612 1 8 . 1 1 142 142 ASP N N 142 121.268 121.268 121.111 0.157 18521 7613 1 8 . 1 1 142 142 ASP HA H 142 4.415 4.415 4.428 -0.013 18521 7614 1 8 . 1 1 142 142 ASP C C 142 175.916 175.916 178.486 -2.570 18521 7615 1 8 . 1 1 142 142 ASP CA C 142 54.678 54.678 57.489 -2.811 18521 7616 1 8 . 1 1 142 142 ASP CB C 142 68.329 68.329 68.212 0.117 18521 7617 1 8 . 1 1 142 142 ASP H H 142 8.199 8.199 8.275 -0.076 18521 7618 1 8 . 1 1 143 143 LEU N N 143 120.218 120.218 121.942 -1.724 18521 7619 1 8 . 1 1 143 143 LEU HA H 143 4.108 4.108 4.121 -0.013 18521 7620 1 8 . 1 1 143 143 LEU C C 143 176.205 176.205 178.839 -2.634 18521 7621 1 8 . 1 1 143 143 LEU CA C 143 57.314 57.314 57.988 -0.674 18521 7622 1 8 . 1 1 143 143 LEU CB C 143 39.700 39.700 41.638 -1.938 18521 7623 1 8 . 1 1 143 143 LEU H H 143 7.858 7.858 8.125 -0.267 18521 7624 1 8 . 1 1 144 144 ILE N N 144 121.582 121.582 124.148 -2.566 18521 7625 1 8 . 1 1 144 144 ILE HA H 144 4.083 4.083 3.764 0.319 18521 7626 1 8 . 1 1 144 144 ILE C C 144 177.130 177.130 177.750 -0.620 18521 7627 1 8 . 1 1 144 144 ILE CA C 144 60.697 60.697 65.696 -4.999 18521 7628 1 8 . 1 1 144 144 ILE CB C 144 38.565 38.565 37.233 1.332 18521 7629 1 8 . 1 1 144 144 ILE H H 144 7.948 7.948 8.127 -0.179 18521 7630 1 8 . 1 1 145 145 GLU N N 145 120.974 120.974 121.785 -0.811 18521 7631 1 8 . 1 1 145 145 GLU HA H 145 4.049 4.049 4.131 -0.082 18521 7632 1 8 . 1 1 145 145 GLU C C 145 179.664 179.664 178.461 1.203 18521 7633 1 8 . 1 1 145 145 GLU CA C 145 59.673 59.673 59.857 -0.184 18521 7634 1 8 . 1 1 145 145 GLU CB C 145 29.521 29.521 29.718 -0.197 18521 7635 1 8 . 1 1 145 145 GLU H H 145 7.869 7.869 7.905 -0.036 18521 7636 1 8 . 1 1 146 146 GLN N N 146 118.520 118.520 120.679 -2.159 18521 7637 1 8 . 1 1 146 146 GLN HA H 146 4.034 4.034 4.019 0.015 18521 7638 1 8 . 1 1 146 146 GLN C C 146 178.820 178.820 178.006 0.814 18521 7639 1 8 . 1 1 146 146 GLN CA C 146 58.720 58.720 59.788 -1.068 18521 7640 1 8 . 1 1 146 146 GLN CB C 146 29.312 29.312 28.465 0.848 18521 7641 1 8 . 1 1 146 146 GLN H H 146 8.407 8.407 7.602 0.805 18521 7642 1 8 . 1 1 147 147 GLY N N 147 108.998 108.998 109.706 -0.708 18521 7643 1 8 . 1 1 147 147 GLY HA H 147 3.471 3.471 3.744 -0.273 18521 7644 1 8 . 1 1 147 147 GLY C C 147 175.794 175.794 176.473 -0.679 18521 7645 1 8 . 1 1 147 147 GLY CA C 147 47.525 47.525 48.156 -0.631 18521 7646 1 8 . 1 1 147 147 GLY CB C 147 41.801 41.801 41.435 0.366 18521 7647 1 8 . 1 1 147 147 GLY H H 147 8.059 8.059 7.536 0.523 18521 7648 1 8 . 1 1 148 148 ASP N N 148 124.022 124.022 118.701 5.321 18521 7649 1 8 . 1 1 148 148 ASP HA H 148 4.342 4.342 4.138 0.204 18521 7650 1 8 . 1 1 148 148 ASP C C 148 175.607 175.607 178.536 -2.929 18521 7651 1 8 . 1 1 148 148 ASP CA C 148 57.252 57.252 57.403 -0.151 18521 7652 1 8 . 1 1 148 148 ASP CB C 148 39.918 39.918 40.383 -0.466 18521 7653 1 8 . 1 1 148 148 ASP H H 148 8.522 8.522 8.442 0.080 18521 7654 1 8 . 1 1 149 149 GLU N N 149 121.333 121.333 119.857 1.476 18521 7655 1 8 . 1 1 149 149 GLU HA H 149 4.008 4.008 3.947 0.061 18521 7656 1 8 . 1 1 149 149 GLU C C 149 175.652 175.652 178.723 -3.071 18521 7657 1 8 . 1 1 149 149 GLU CA C 149 59.394 59.394 59.558 -0.164 18521 7658 1 8 . 1 1 149 149 GLU CB C 149 32.048 32.048 32.241 -0.193 18521 7659 1 8 . 1 1 149 149 GLU H H 149 7.768 7.768 7.987 -0.219 18521 7660 1 8 . 1 1 150 150 LEU N N 150 120.820 120.820 119.084 1.736 18521 7661 1 8 . 1 1 150 150 LEU HA H 150 3.718 3.718 3.940 -0.222 18521 7662 1 8 . 1 1 150 150 LEU C C 150 179.476 179.476 179.362 0.114 18521 7663 1 8 . 1 1 150 150 LEU CA C 150 57.656 57.656 57.844 -0.188 18521 7664 1 8 . 1 1 150 150 LEU CB C 150 28.936 28.936 29.515 -0.579 18521 7665 1 8 . 1 1 150 150 LEU H H 150 8.113 8.113 7.233 0.880 18521 7666 1 8 . 1 1 151 151 GLN N N 151 118.698 118.698 119.199 -0.501 18521 7667 1 8 . 1 1 151 151 GLN HA H 151 3.990 3.990 3.741 0.249 18521 7668 1 8 . 1 1 151 151 GLN C C 151 178.418 178.418 178.040 0.378 18521 7669 1 8 . 1 1 151 151 GLN CA C 151 58.570 58.570 59.369 -0.799 18521 7670 1 8 . 1 1 151 151 GLN CB C 151 38.409 38.409 37.511 0.898 18521 7671 1 8 . 1 1 151 151 GLN H H 151 8.282 8.282 7.562 0.720 18521 7672 1 8 . 1 1 152 152 GLU N N 152 120.750 120.750 120.031 0.719 18521 7673 1 8 . 1 1 152 152 GLU HA H 152 4.035 4.035 3.962 0.073 18521 7674 1 8 . 1 1 152 152 GLU C C 152 178.916 178.916 178.866 0.050 18521 7675 1 8 . 1 1 152 152 GLU CA C 152 59.223 59.223 59.370 -0.147 18521 7676 1 8 . 1 1 152 152 GLU CB C 152 29.322 29.322 29.165 0.157 18521 7677 1 8 . 1 1 152 152 GLU H H 152 7.499 7.499 8.192 -0.693 18521 7678 1 8 . 1 1 153 153 VAL N N 153 120.317 120.317 120.471 -0.154 18521 7679 1 8 . 1 1 153 153 VAL HA H 153 3.695 3.695 3.800 -0.105 18521 7680 1 8 . 1 1 153 153 VAL C C 153 178.846 178.846 178.204 0.642 18521 7681 1 8 . 1 1 153 153 VAL CA C 153 65.832 65.832 66.479 -0.647 18521 7682 1 8 . 1 1 153 153 VAL CB C 153 31.921 31.921 31.731 0.190 18521 7683 1 8 . 1 1 153 153 VAL H H 153 7.763 7.763 8.243 -0.480 18521 7684 1 8 . 1 1 154 154 LEU N N 154 121.374 121.374 119.294 2.080 18521 7685 1 8 . 1 1 154 154 LEU HA H 154 3.917 3.917 3.848 0.069 18521 7686 1 8 . 1 1 154 154 LEU C C 154 178.836 178.836 178.528 0.308 18521 7687 1 8 . 1 1 154 154 LEU CA C 154 57.439 57.439 59.165 -1.726 18521 7688 1 8 . 1 1 154 154 LEU CB C 154 41.797 41.797 41.876 -0.079 18521 7689 1 8 . 1 1 154 154 LEU H H 154 7.731 7.731 7.959 -0.228 18521 7690 1 8 . 1 1 155 155 ALA N N 155 121.695 121.695 123.958 -2.263 18521 7691 1 8 . 1 1 155 155 ALA HA H 155 4.145 4.145 3.802 0.343 18521 7692 1 8 . 1 1 155 155 ALA C C 155 179.502 179.502 179.740 -0.238 18521 7693 1 8 . 1 1 155 155 ALA CA C 155 54.175 54.175 55.305 -1.130 18521 7694 1 8 . 1 1 155 155 ALA CB C 155 18.499 18.499 18.688 -0.189 18521 7695 1 8 . 1 1 155 155 ALA H H 155 7.896 7.896 7.786 0.110 18521 7696 1 8 . 1 1 156 156 MET N N 156 117.652 117.652 118.805 -1.153 18521 7697 1 8 . 1 1 156 156 MET HA H 156 4.228 4.228 3.902 0.326 18521 7698 1 8 . 1 1 156 156 MET C C 156 177.366 177.366 178.179 -0.813 18521 7699 1 8 . 1 1 156 156 MET CA C 156 57.306 57.306 59.313 -2.007 18521 7700 1 8 . 1 1 156 156 MET CB C 156 32.373 32.373 32.536 -0.163 18521 7701 1 8 . 1 1 156 156 MET H H 156 7.778 7.778 8.299 -0.521 18521 7702 1 8 . 1 1 157 157 ASN N N 157 117.853 117.853 117.206 0.647 18521 7703 1 8 . 1 1 157 157 ASN HA H 157 4.588 4.588 4.168 0.420 18521 7704 1 8 . 1 1 157 157 ASN C C 157 175.211 175.211 177.720 -2.509 18521 7705 1 8 . 1 1 157 157 ASN CA C 157 54.068 54.068 57.215 -3.147 18521 7706 1 8 . 1 1 157 157 ASN CB C 157 39.125 39.125 38.243 0.882 18521 7707 1 8 . 1 1 157 157 ASN H H 157 8.009 8.009 8.374 -0.365 18521 7708 1 8 . 1 1 158 158 ASN N N 158 117.684 117.684 117.460 0.224 18521 7709 1 8 . 1 1 158 158 ASN HA H 158 4.612 4.612 4.312 0.300 18521 7710 1 8 . 1 1 158 158 ASN C C 158 174.669 174.669 177.168 -2.499 18521 7711 1 8 . 1 1 158 158 ASN CA C 158 53.554 53.554 56.122 -2.568 18521 7712 1 8 . 1 1 158 158 ASN CB C 158 39.343 39.343 38.002 1.341 18521 7713 1 8 . 1 1 158 158 ASN H H 158 7.951 7.951 8.795 -0.844 18521 7714 1 8 . 1 1 159 159 ASN N N 159 119.399 119.399 117.085 2.314 18521 7715 1 8 . 1 1 159 159 ASN HA H 159 4.583 4.583 4.374 0.209 18521 7716 1 8 . 1 1 159 159 ASN C C 159 175.563 175.563 177.607 -2.044 18521 7717 1 8 . 1 1 159 159 ASN CA C 159 53.901 53.901 56.577 -2.675 18521 7718 1 8 . 1 1 159 159 ASN CB C 159 38.425 38.425 38.047 0.378 18521 7719 1 8 . 1 1 159 159 ASN H H 159 8.319 8.319 7.591 0.728 18521 7720 1 8 . 1 1 160 160 SER N N 160 115.453 115.453 117.210 -1.757 18521 7721 1 8 . 1 1 160 160 SER HA H 160 4.324 4.324 4.092 0.232 18521 7722 1 8 . 1 1 160 160 SER C C 160 174.952 174.952 177.085 -2.133 18521 7723 1 8 . 1 1 160 160 SER CA C 160 58.851 58.851 61.265 -2.414 18521 7724 1 8 . 1 1 160 160 SER CB C 160 63.704 63.704 62.921 0.783 18521 7725 1 8 . 1 1 160 160 SER H H 160 8.297 8.297 7.493 0.804 18521 7726 1 8 . 1 1 161 161 GLY N N 161 110.851 110.851 106.623 4.228 18521 7727 1 8 . 1 1 161 161 GLY HA H 161 4.146 4.146 4.078 0.068 18521 7728 1 8 . 1 1 161 161 GLY C C 161 173.974 173.974 177.774 -3.800 18521 7729 1 8 . 1 1 161 161 GLY CA C 161 45.348 45.348 48.118 -2.770 18521 7730 1 8 . 1 1 161 161 GLY CB C 161 42.245 42.245 41.775 0.470 18521 7731 1 8 . 1 1 161 161 GLY H H 161 8.328 8.328 8.391 -0.063 18521 7732 1 8 . 1 1 162 162 GLU N N 162 120.859 120.859 119.156 1.703 18521 7733 1 8 . 1 1 162 162 GLU HA H 162 4.211 4.211 4.205 0.006 18521 7734 1 8 . 1 1 162 162 GLU C C 162 177.522 177.522 177.710 -0.188 18521 7735 1 8 . 1 1 162 162 GLU CA C 162 56.065 56.065 58.994 -2.929 18521 7736 1 8 . 1 1 162 162 GLU CB C 162 29.852 29.852 29.185 0.667 18521 7737 1 8 . 1 1 162 162 GLU H H 162 8.244 8.244 7.877 0.367 18521 7738 1 8 . 1 1 163 163 LEU N N 163 124.226 124.226 117.605 6.621 18521 7739 1 8 . 1 1 163 163 LEU HA H 163 3.889 3.889 4.351 -0.462 18521 7740 1 8 . 1 1 163 163 LEU C C 163 178.043 178.043 176.783 1.260 18521 7741 1 8 . 1 1 163 163 LEU CA C 163 57.163 57.163 54.457 2.706 18521 7742 1 8 . 1 1 163 163 LEU CB C 163 41.840 41.840 42.193 -0.353 18521 7743 1 8 . 1 1 163 163 LEU H H 163 8.337 8.337 7.672 0.665 18521 7744 1 8 . 1 1 164 164 ASP N N 164 116.994 116.994 119.156 -2.162 18521 7745 1 8 . 1 1 164 164 ASP HA H 164 4.327 4.327 4.266 0.061 18521 7746 1 8 . 1 1 164 164 ASP C C 164 176.423 176.423 176.835 -0.412 18521 7747 1 8 . 1 1 164 164 ASP CA C 164 55.427 55.427 54.713 0.714 18521 7748 1 8 . 1 1 164 164 ASP H H 164 8.188 8.188 7.669 0.519 18521 7749 1 8 . 1 1 165 165 ASP N N 165 118.967 118.967 119.318 -0.351 18521 7750 1 8 . 1 1 165 165 ASP HA H 165 4.443 4.443 4.396 0.047 18521 7751 1 8 . 1 1 165 165 ASP C C 165 175.654 175.654 176.167 -0.513 18521 7752 1 8 . 1 1 165 165 ASP CA C 165 54.707 54.707 55.107 -0.400 18521 7753 1 8 . 1 1 165 165 ASP CB C 165 40.973 40.973 41.319 -0.346 18521 7754 1 8 . 1 1 165 165 ASP H H 165 7.701 7.701 7.973 -0.272 18521 7755 1 8 . 1 1 166 166 ILE N N 166 122.002 122.002 119.454 2.548 18521 7756 1 8 . 1 1 166 166 ILE HA H 166 4.049 4.049 4.005 0.044 18521 7757 1 8 . 1 1 166 166 ILE C C 166 175.180 175.180 175.096 0.084 18521 7758 1 8 . 1 1 166 166 ILE CA C 166 60.396 60.396 59.689 0.707 18521 7759 1 8 . 1 1 166 166 ILE CB C 166 39.185 39.185 37.566 1.619 18521 7760 1 8 . 1 1 166 166 ILE H H 166 7.388 7.388 7.207 0.181 18521 7761 1 9 . 1 1 2 2 ALA N N 2 122.445 122.445 123.208 -0.763 18521 7762 1 9 . 1 1 2 2 ALA HA H 2 4.045 4.045 4.437 -0.392 18521 7763 1 9 . 1 1 2 2 ALA C C 2 179.992 179.992 179.017 0.975 18521 7764 1 9 . 1 1 2 2 ALA CA C 2 55.140 55.140 54.737 0.403 18521 7765 1 9 . 1 1 2 2 ALA CB C 2 18.482 18.482 18.257 0.225 18521 7766 1 9 . 1 1 2 2 ALA H H 2 8.545 8.545 8.435 0.110 18521 7767 1 9 . 1 1 3 3 SER N N 3 115.544 115.544 112.410 3.134 18521 7768 1 9 . 1 1 3 3 SER HA H 3 4.030 4.030 4.134 -0.104 18521 7769 1 9 . 1 1 3 3 SER C C 3 176.584 176.584 176.707 -0.123 18521 7770 1 9 . 1 1 3 3 SER CA C 3 60.748 60.748 60.911 -0.163 18521 7771 1 9 . 1 1 3 3 SER CB C 3 62.416 62.416 62.584 -0.168 18521 7772 1 9 . 1 1 3 3 SER H H 3 8.009 8.009 8.424 -0.415 18521 7773 1 9 . 1 1 4 4 ASN N N 4 123.103 123.103 120.866 2.237 18521 7774 1 9 . 1 1 4 4 ASN HA H 4 4.318 4.318 4.476 -0.158 18521 7775 1 9 . 1 1 4 4 ASN C C 4 176.215 176.215 177.234 -1.019 18521 7776 1 9 . 1 1 4 4 ASN CA C 4 55.580 55.580 55.576 0.004 18521 7777 1 9 . 1 1 4 4 ASN CB C 4 38.154 38.154 37.776 0.378 18521 7778 1 9 . 1 1 4 4 ASN H H 4 7.965 7.965 7.804 0.161 18521 7779 1 9 . 1 1 5 5 ALA N N 5 122.314 122.314 123.196 -0.882 18521 7780 1 9 . 1 1 5 5 ALA HA H 5 3.560 3.560 3.803 -0.243 18521 7781 1 9 . 1 1 5 5 ALA C C 5 178.543 178.543 178.799 -0.256 18521 7782 1 9 . 1 1 5 5 ALA CA C 5 55.774 55.774 54.959 0.815 18521 7783 1 9 . 1 1 5 5 ALA CB C 5 17.638 17.638 18.120 -0.482 18521 7784 1 9 . 1 1 5 5 ALA H H 5 8.721 8.721 7.545 1.176 18521 7785 1 9 . 1 1 6 6 ALA N N 6 117.886 117.886 121.329 -3.443 18521 7786 1 9 . 1 1 6 6 ALA HA H 6 3.784 3.784 3.968 -0.184 18521 7787 1 9 . 1 1 6 6 ALA C C 6 180.378 180.378 179.322 1.056 18521 7788 1 9 . 1 1 6 6 ALA CA C 6 55.240 55.240 55.002 0.239 18521 7789 1 9 . 1 1 6 6 ALA CB C 6 17.890 17.890 18.048 -0.158 18521 7790 1 9 . 1 1 6 6 ALA H H 6 7.891 7.891 7.430 0.461 18521 7791 1 9 . 1 1 7 7 ARG N N 7 120.992 120.992 119.432 1.560 18521 7792 1 9 . 1 1 7 7 ARG HA H 7 3.770 3.770 4.038 -0.268 18521 7793 1 9 . 1 1 7 7 ARG C C 7 179.531 179.531 178.628 0.903 18521 7794 1 9 . 1 1 7 7 ARG CA C 7 59.249 59.249 59.389 -0.140 18521 7795 1 9 . 1 1 7 7 ARG CB C 7 29.546 29.546 30.397 -0.851 18521 7796 1 9 . 1 1 7 7 ARG H H 7 7.503 7.503 7.913 -0.410 18521 7797 1 9 . 1 1 8 8 VAL N N 8 123.707 123.707 119.791 3.916 18521 7798 1 9 . 1 1 8 8 VAL HA H 8 3.285 3.285 3.799 -0.514 18521 7799 1 9 . 1 1 8 8 VAL C C 8 177.740 177.740 178.015 -0.275 18521 7800 1 9 . 1 1 8 8 VAL CA C 8 67.839 67.839 66.553 1.286 18521 7801 1 9 . 1 1 8 8 VAL CB C 8 31.516 31.516 31.133 0.384 18521 7802 1 9 . 1 1 8 8 VAL H H 8 8.176 8.176 8.220 -0.044 18521 7803 1 9 . 1 1 9 9 VAL N N 9 119.893 119.893 120.425 -0.532 18521 7804 1 9 . 1 1 9 9 VAL HA H 9 3.286 3.286 3.595 -0.309 18521 7805 1 9 . 1 1 9 9 VAL C C 9 177.535 177.535 178.248 -0.713 18521 7806 1 9 . 1 1 9 9 VAL CA C 9 67.549 67.549 66.556 0.993 18521 7807 1 9 . 1 1 9 9 VAL CB C 9 31.683 31.683 30.772 0.911 18521 7808 1 9 . 1 1 9 9 VAL H H 9 8.329 8.329 7.760 0.569 18521 7809 1 9 . 1 1 10 10 ALA N N 10 122.541 122.541 121.953 0.588 18521 7810 1 9 . 1 1 10 10 ALA HA H 10 3.971 3.971 4.082 -0.111 18521 7811 1 9 . 1 1 10 10 ALA C C 10 177.093 177.093 179.747 -2.654 18521 7812 1 9 . 1 1 10 10 ALA CA C 10 55.448 55.448 55.547 -0.099 18521 7813 1 9 . 1 1 10 10 ALA CB C 10 17.791 17.791 18.439 -0.647 18521 7814 1 9 . 1 1 10 10 ALA H H 10 7.802 7.802 8.563 -0.761 18521 7815 1 9 . 1 1 11 11 THR N N 11 116.946 116.946 115.917 1.029 18521 7816 1 9 . 1 1 11 11 THR HA H 11 3.821 3.821 3.994 -0.173 18521 7817 1 9 . 1 1 11 11 THR C C 11 175.702 175.702 176.652 -0.950 18521 7818 1 9 . 1 1 11 11 THR CA C 11 66.531 66.531 66.440 0.091 18521 7819 1 9 . 1 1 11 11 THR CB C 11 68.493 68.493 68.380 0.113 18521 7820 1 9 . 1 1 11 11 THR H H 11 8.187 8.187 8.567 -0.380 18521 7821 1 9 . 1 1 12 12 ALA N N 12 125.357 125.357 124.372 0.985 18521 7822 1 9 . 1 1 12 12 ALA HA H 12 4.003 4.003 4.118 -0.115 18521 7823 1 9 . 1 1 12 12 ALA C C 12 179.401 179.401 179.361 0.040 18521 7824 1 9 . 1 1 12 12 ALA CA C 12 56.083 56.083 55.382 0.701 18521 7825 1 9 . 1 1 12 12 ALA CB C 12 18.855 18.855 18.240 0.615 18521 7826 1 9 . 1 1 12 12 ALA H H 12 8.641 8.641 8.244 0.397 18521 7827 1 9 . 1 1 13 13 LYS N N 13 117.246 117.246 117.617 -0.371 18521 7828 1 9 . 1 1 13 13 LYS HA H 13 3.964 3.964 4.008 -0.044 18521 7829 1 9 . 1 1 13 13 LYS C C 13 180.132 180.132 178.293 1.839 18521 7830 1 9 . 1 1 13 13 LYS CA C 13 58.991 58.991 59.611 -0.620 18521 7831 1 9 . 1 1 13 13 LYS CB C 13 32.014 32.014 32.047 -0.033 18521 7832 1 9 . 1 1 13 13 LYS H H 13 7.961 7.961 7.638 0.323 18521 7833 1 9 . 1 1 14 14 ASP N N 14 122.162 122.162 119.721 2.441 18521 7834 1 9 . 1 1 14 14 ASP HA H 14 4.355 4.355 4.392 -0.037 18521 7835 1 9 . 1 1 14 14 ASP C C 14 179.394 179.394 178.342 1.052 18521 7836 1 9 . 1 1 14 14 ASP CA C 14 57.524 57.524 56.893 0.631 18521 7837 1 9 . 1 1 14 14 ASP CB C 14 39.984 39.984 40.300 -0.316 18521 7838 1 9 . 1 1 14 14 ASP H H 14 7.702 7.702 7.579 0.123 18521 7839 1 9 . 1 1 15 15 PHE N N 15 119.552 119.552 117.670 1.882 18521 7840 1 9 . 1 1 15 15 PHE HA H 15 4.307 4.307 4.246 0.061 18521 7841 1 9 . 1 1 15 15 PHE C C 15 178.383 178.383 177.862 0.521 18521 7842 1 9 . 1 1 15 15 PHE CA C 15 62.313 62.313 61.452 0.861 18521 7843 1 9 . 1 1 15 15 PHE CB C 15 37.340 37.340 38.961 -1.621 18521 7844 1 9 . 1 1 15 15 PHE H H 15 7.970 7.970 7.550 0.420 18521 7845 1 9 . 1 1 16 16 ASP N N 16 121.464 121.464 119.523 1.941 18521 7846 1 9 . 1 1 16 16 ASP HA H 16 4.016 4.016 4.503 -0.487 18521 7847 1 9 . 1 1 16 16 ASP C C 16 179.923 179.923 179.170 0.753 18521 7848 1 9 . 1 1 16 16 ASP CA C 16 58.030 58.030 57.803 0.227 18521 7849 1 9 . 1 1 16 16 ASP CB C 16 41.407 41.407 40.876 0.531 18521 7850 1 9 . 1 1 16 16 ASP H H 16 8.259 8.259 7.869 0.390 18521 7851 1 9 . 1 1 17 17 LYS N N 17 118.806 118.806 120.185 -1.379 18521 7852 1 9 . 1 1 17 17 LYS HA H 17 4.047 4.047 4.133 -0.086 18521 7853 1 9 . 1 1 17 17 LYS C C 17 178.432 178.432 177.642 0.790 18521 7854 1 9 . 1 1 17 17 LYS CA C 17 59.018 59.018 59.031 -0.013 18521 7855 1 9 . 1 1 17 17 LYS CB C 17 32.592 32.592 32.689 -0.097 18521 7856 1 9 . 1 1 17 17 LYS H H 17 7.842 7.842 7.626 0.216 18521 7857 1 9 . 1 1 18 18 VAL N N 18 110.416 110.416 117.774 -7.358 18521 7858 1 9 . 1 1 18 18 VAL HA H 18 4.523 4.523 4.103 0.420 18521 7859 1 9 . 1 1 18 18 VAL C C 18 176.089 176.089 175.780 0.309 18521 7860 1 9 . 1 1 18 18 VAL CA C 18 60.797 60.797 62.407 -1.610 18521 7861 1 9 . 1 1 18 18 VAL CB C 18 31.194 31.194 31.724 -0.530 18521 7862 1 9 . 1 1 18 18 VAL H H 18 7.198 7.198 7.420 -0.222 18521 7863 1 9 . 1 1 19 19 GLY N N 19 109.008 109.008 108.100 0.908 18521 7864 1 9 . 1 1 19 19 GLY C C 19 175.070 175.070 174.625 0.445 18521 7865 1 9 . 1 1 19 19 GLY CA C 19 45.842 45.842 45.540 0.302 18521 7866 1 9 . 1 1 19 19 GLY H H 19 7.731 7.731 7.691 0.040 18521 7867 1 9 . 1 1 20 20 LEU N N 20 125.244 125.244 121.820 3.424 18521 7868 1 9 . 1 1 20 20 LEU HA H 20 4.938 4.938 4.698 0.240 18521 7869 1 9 . 1 1 20 20 LEU C C 20 177.890 177.890 177.461 0.429 18521 7870 1 9 . 1 1 20 20 LEU CA C 20 52.674 52.674 53.366 -0.692 18521 7871 1 9 . 1 1 20 20 LEU CB C 20 40.239 40.239 41.089 -0.850 18521 7872 1 9 . 1 1 20 20 LEU H H 20 8.102 8.102 8.493 -0.391 18521 7873 1 9 . 1 1 21 21 GLY N N 21 108.031 108.031 109.519 -1.488 18521 7874 1 9 . 1 1 21 21 GLY C C 21 176.174 176.174 175.953 0.221 18521 7875 1 9 . 1 1 21 21 GLY CA C 21 47.352 47.352 47.345 0.007 18521 7876 1 9 . 1 1 21 21 GLY H H 21 8.046 8.046 8.730 -0.684 18521 7877 1 9 . 1 1 22 22 ILE N N 22 121.173 121.173 122.100 -0.927 18521 7878 1 9 . 1 1 22 22 ILE HA H 22 3.944 3.944 3.672 0.272 18521 7879 1 9 . 1 1 22 22 ILE C C 22 176.119 176.119 177.579 -1.460 18521 7880 1 9 . 1 1 22 22 ILE CA C 22 61.179 61.179 64.641 -3.462 18521 7881 1 9 . 1 1 22 22 ILE CB C 22 35.934 35.934 37.877 -1.943 18521 7882 1 9 . 1 1 22 22 ILE H H 22 8.395 8.395 7.913 0.482 18521 7883 1 9 . 1 1 23 23 ILE N N 23 120.647 120.647 120.129 0.518 18521 7884 1 9 . 1 1 23 23 ILE HA H 23 3.713 3.713 3.765 -0.052 18521 7885 1 9 . 1 1 23 23 ILE C C 23 178.458 178.458 178.619 -0.161 18521 7886 1 9 . 1 1 23 23 ILE CA C 23 64.266 64.266 62.250 2.016 18521 7887 1 9 . 1 1 23 23 ILE CB C 23 36.272 36.272 35.933 0.339 18521 7888 1 9 . 1 1 23 23 ILE H H 23 6.824 6.824 7.767 -0.943 18521 7889 1 9 . 1 1 24 24 GLY N N 24 103.326 103.326 107.898 -4.572 18521 7890 1 9 . 1 1 24 24 GLY C C 24 174.914 174.914 175.672 -0.758 18521 7891 1 9 . 1 1 24 24 GLY CA C 24 47.998 47.998 47.102 0.896 18521 7892 1 9 . 1 1 24 24 GLY H H 24 7.412 7.412 7.733 -0.321 18521 7893 1 9 . 1 1 25 25 TYR N N 25 124.188 124.188 124.143 0.045 18521 7894 1 9 . 1 1 25 25 TYR HA H 25 3.734 3.734 3.793 -0.059 18521 7895 1 9 . 1 1 25 25 TYR C C 25 176.055 176.055 177.216 -1.161 18521 7896 1 9 . 1 1 25 25 TYR CA C 25 60.962 60.962 60.792 0.170 18521 7897 1 9 . 1 1 25 25 TYR CB C 25 37.888 37.888 37.733 0.155 18521 7898 1 9 . 1 1 25 25 TYR H H 25 7.861 7.861 8.236 -0.375 18521 7899 1 9 . 1 1 26 26 TYR N N 26 117.390 117.390 117.303 0.087 18521 7900 1 9 . 1 1 26 26 TYR HA H 26 3.881 3.881 3.994 -0.113 18521 7901 1 9 . 1 1 26 26 TYR C C 26 178.653 178.653 178.027 0.626 18521 7902 1 9 . 1 1 26 26 TYR CA C 26 64.270 64.270 62.335 1.935 18521 7903 1 9 . 1 1 26 26 TYR CB C 26 37.453 37.453 38.193 -0.740 18521 7904 1 9 . 1 1 26 26 TYR H H 26 7.594 7.594 7.575 0.019 18521 7905 1 9 . 1 1 27 27 LEU N N 27 118.536 118.536 119.554 -1.018 18521 7906 1 9 . 1 1 27 27 LEU HA H 27 4.277 4.277 3.839 0.438 18521 7907 1 9 . 1 1 27 27 LEU C C 27 179.025 179.025 178.934 0.091 18521 7908 1 9 . 1 1 27 27 LEU CA C 27 58.382 58.382 58.197 0.186 18521 7909 1 9 . 1 1 27 27 LEU CB C 27 42.595 42.595 41.112 1.482 18521 7910 1 9 . 1 1 27 27 LEU H H 27 8.226 8.226 7.840 0.386 18521 7911 1 9 . 1 1 28 28 GLN N N 28 119.110 119.110 118.069 1.041 18521 7912 1 9 . 1 1 28 28 GLN HA H 28 3.665 3.665 3.836 -0.171 18521 7913 1 9 . 1 1 28 28 GLN C C 28 177.406 177.406 178.406 -1.000 18521 7914 1 9 . 1 1 28 28 GLN CA C 28 60.626 60.626 59.000 1.626 18521 7915 1 9 . 1 1 28 28 GLN CB C 28 28.959 28.959 28.539 0.420 18521 7916 1 9 . 1 1 28 28 GLN H H 28 8.007 8.007 8.338 -0.331 18521 7917 1 9 . 1 1 29 29 LEU N N 29 121.623 121.623 120.810 0.813 18521 7918 1 9 . 1 1 29 29 LEU HA H 29 3.718 3.718 3.892 -0.174 18521 7919 1 9 . 1 1 29 29 LEU C C 29 179.706 179.706 178.111 1.595 18521 7920 1 9 . 1 1 29 29 LEU CA C 29 58.382 58.382 57.572 0.810 18521 7921 1 9 . 1 1 29 29 LEU CB C 29 42.114 42.114 41.465 0.648 18521 7922 1 9 . 1 1 29 29 LEU H H 29 7.938 7.938 7.286 0.652 18521 7923 1 9 . 1 1 30 30 TYR N N 30 120.084 120.084 120.803 -0.719 18521 7924 1 9 . 1 1 30 30 TYR HA H 30 4.132 4.132 4.017 0.115 18521 7925 1 9 . 1 1 30 30 TYR C C 30 175.611 175.611 177.153 -1.542 18521 7926 1 9 . 1 1 30 30 TYR CA C 30 58.951 58.951 59.652 -0.701 18521 7927 1 9 . 1 1 30 30 TYR CB C 30 39.302 39.302 37.713 1.589 18521 7928 1 9 . 1 1 30 30 TYR H H 30 7.974 7.974 7.919 0.055 18521 7929 1 9 . 1 1 31 31 ALA N N 31 121.802 121.802 121.311 0.491 18521 7930 1 9 . 1 1 31 31 ALA HA H 31 3.343 3.343 3.480 -0.137 18521 7931 1 9 . 1 1 31 31 ALA C C 31 178.911 178.911 179.305 -0.394 18521 7932 1 9 . 1 1 31 31 ALA CA C 31 55.429 55.429 54.737 0.692 18521 7933 1 9 . 1 1 31 31 ALA CB C 31 17.895 17.895 17.863 0.032 18521 7934 1 9 . 1 1 31 31 ALA H H 31 8.504 8.504 8.004 0.500 18521 7935 1 9 . 1 1 32 32 VAL N N 32 116.528 116.528 118.950 -2.422 18521 7936 1 9 . 1 1 32 32 VAL HA H 32 3.249 3.249 3.346 -0.097 18521 7937 1 9 . 1 1 32 32 VAL C C 32 176.963 176.963 177.856 -0.893 18521 7938 1 9 . 1 1 32 32 VAL CA C 32 67.723 67.723 67.184 0.539 18521 7939 1 9 . 1 1 32 32 VAL CB C 32 31.403 31.403 31.815 -0.412 18521 7940 1 9 . 1 1 32 32 VAL H H 32 8.027 8.027 7.917 0.110 18521 7941 1 9 . 1 1 33 33 GLU N N 33 118.609 118.609 119.218 -0.609 18521 7942 1 9 . 1 1 33 33 GLU HA H 33 3.804 3.804 3.985 -0.181 18521 7943 1 9 . 1 1 33 33 GLU C C 33 180.234 180.234 179.116 1.118 18521 7944 1 9 . 1 1 33 33 GLU CA C 33 59.446 59.446 59.281 0.165 18521 7945 1 9 . 1 1 33 33 GLU CB C 33 28.711 28.711 29.650 -0.939 18521 7946 1 9 . 1 1 33 33 GLU H H 33 7.299 7.299 7.581 -0.282 18521 7947 1 9 . 1 1 34 34 LEU N N 34 120.831 120.831 121.778 -0.947 18521 7948 1 9 . 1 1 34 34 LEU HA H 34 3.702 3.702 3.870 -0.168 18521 7949 1 9 . 1 1 34 34 LEU C C 34 180.024 180.024 179.087 0.937 18521 7950 1 9 . 1 1 34 34 LEU CA C 34 57.815 57.815 58.044 -0.229 18521 7951 1 9 . 1 1 34 34 LEU CB C 34 42.097 42.097 41.692 0.405 18521 7952 1 9 . 1 1 34 34 LEU H H 34 8.168 8.168 7.597 0.571 18521 7953 1 9 . 1 1 35 35 ILE N N 35 120.733 120.733 119.176 1.557 18521 7954 1 9 . 1 1 35 35 ILE HA H 35 3.589 3.589 3.535 0.054 18521 7955 1 9 . 1 1 35 35 ILE C C 35 178.501 178.501 178.357 0.144 18521 7956 1 9 . 1 1 35 35 ILE CA C 35 65.363 65.363 65.352 0.011 18521 7957 1 9 . 1 1 35 35 ILE CB C 35 38.960 38.960 37.679 1.281 18521 7958 1 9 . 1 1 35 35 ILE H H 35 8.064 8.064 7.866 0.198 18521 7959 1 9 . 1 1 36 36 LEU N N 36 115.519 115.519 119.096 -3.577 18521 7960 1 9 . 1 1 36 36 LEU HA H 36 3.958 3.958 4.007 -0.049 18521 7961 1 9 . 1 1 36 36 LEU C C 36 178.244 178.244 178.257 -0.013 18521 7962 1 9 . 1 1 36 36 LEU CA C 36 56.069 56.069 57.418 -1.349 18521 7963 1 9 . 1 1 36 36 LEU CB C 36 40.528 40.528 41.617 -1.089 18521 7964 1 9 . 1 1 36 36 LEU H H 36 8.370 8.370 7.659 0.711 18521 7965 1 9 . 1 1 37 37 SER N N 37 113.976 113.976 112.042 1.934 18521 7966 1 9 . 1 1 37 37 SER HA H 37 4.197 4.197 4.261 -0.064 18521 7967 1 9 . 1 1 37 37 SER C C 37 173.934 173.934 175.182 -1.248 18521 7968 1 9 . 1 1 37 37 SER CA C 37 60.204 60.204 60.008 0.196 18521 7969 1 9 . 1 1 37 37 SER CB C 37 63.507 63.507 63.604 -0.097 18521 7970 1 9 . 1 1 37 37 SER H H 37 7.523 7.523 7.931 -0.408 18521 7971 1 9 . 1 1 38 38 GLU N N 38 123.219 123.219 122.387 0.832 18521 7972 1 9 . 1 1 38 38 GLU HA H 38 4.426 4.426 4.382 0.044 18521 7973 1 9 . 1 1 38 38 GLU C C 38 175.767 175.767 175.531 0.236 18521 7974 1 9 . 1 1 38 38 GLU CA C 38 55.046 55.046 56.146 -1.100 18521 7975 1 9 . 1 1 38 38 GLU CB C 38 30.395 30.395 29.909 0.486 18521 7976 1 9 . 1 1 38 38 GLU H H 38 7.185 7.185 7.584 -0.399 18521 7977 1 9 . 1 1 39 39 GLU N N 39 126.955 126.955 124.195 2.760 18521 7978 1 9 . 1 1 39 39 GLU HA H 39 3.985 3.985 4.039 -0.054 18521 7979 1 9 . 1 1 39 39 GLU C C 39 176.861 176.861 176.099 0.762 18521 7980 1 9 . 1 1 39 39 GLU CA C 39 58.331 58.331 58.226 0.105 18521 7981 1 9 . 1 1 39 39 GLU CB C 39 30.008 30.008 30.181 -0.173 18521 7982 1 9 . 1 1 39 39 GLU H H 39 8.632 8.632 8.639 -0.007 18521 7983 1 9 . 1 1 40 40 ASP N N 40 119.763 119.763 120.082 -0.319 18521 7984 1 9 . 1 1 40 40 ASP HA H 40 4.616 4.616 4.691 -0.075 18521 7985 1 9 . 1 1 40 40 ASP C C 40 174.989 174.989 175.828 -0.839 18521 7986 1 9 . 1 1 40 40 ASP CA C 40 53.281 53.281 54.233 -0.952 18521 7987 1 9 . 1 1 40 40 ASP CB C 40 39.814 39.814 40.483 -0.669 18521 7988 1 9 . 1 1 40 40 ASP H H 40 8.560 8.560 8.187 0.373 18521 7989 1 9 . 1 1 41 41 ARG N N 41 119.595 119.595 122.230 -2.635 18521 7990 1 9 . 1 1 41 41 ARG HA H 41 4.390 4.390 4.605 -0.215 18521 7991 1 9 . 1 1 41 41 ARG C C 41 175.553 175.553 174.833 0.720 18521 7992 1 9 . 1 1 41 41 ARG CA C 41 54.707 54.707 55.276 -0.569 18521 7993 1 9 . 1 1 41 41 ARG CB C 41 31.865 31.865 33.859 -1.994 18521 7994 1 9 . 1 1 41 41 ARG H H 41 7.443 7.443 8.555 -1.112 18521 7995 1 9 . 1 1 42 42 SER N N 42 119.463 119.463 117.578 1.885 18521 7996 1 9 . 1 1 42 42 SER HA H 42 4.381 4.381 4.722 -0.341 18521 7997 1 9 . 1 1 42 42 SER C C 42 175.361 175.361 175.029 0.332 18521 7998 1 9 . 1 1 42 42 SER CA C 42 57.137 57.137 56.414 0.723 18521 7999 1 9 . 1 1 42 42 SER CB C 42 65.166 65.166 66.188 -1.022 18521 8000 1 9 . 1 1 42 42 SER H H 42 8.556 8.556 8.171 0.385 18521 8001 1 9 . 1 1 43 43 GLN N N 43 122.535 122.535 121.796 0.739 18521 8002 1 9 . 1 1 43 43 GLN HA H 43 4.018 4.018 3.967 0.051 18521 8003 1 9 . 1 1 43 43 GLN C C 43 178.768 178.768 177.959 0.809 18521 8004 1 9 . 1 1 43 43 GLN CA C 43 59.073 59.073 59.916 -0.843 18521 8005 1 9 . 1 1 43 43 GLN CB C 43 27.871 27.871 28.555 -0.684 18521 8006 1 9 . 1 1 43 43 GLN H H 43 9.087 9.087 8.962 0.125 18521 8007 1 9 . 1 1 44 44 GLU N N 44 120.308 120.308 118.547 1.761 18521 8008 1 9 . 1 1 44 44 GLU HA H 44 3.982 3.982 4.053 -0.071 18521 8009 1 9 . 1 1 44 44 GLU C C 44 179.737 179.737 178.949 0.788 18521 8010 1 9 . 1 1 44 44 GLU CA C 44 60.142 60.142 59.163 0.979 18521 8011 1 9 . 1 1 44 44 GLU CB C 44 28.801 28.801 29.340 -0.539 18521 8012 1 9 . 1 1 44 44 GLU H H 44 8.958 8.958 8.704 0.254 18521 8013 1 9 . 1 1 45 45 MET N N 45 120.968 120.968 118.791 2.177 18521 8014 1 9 . 1 1 45 45 MET HA H 45 4.432 4.432 4.154 0.278 18521 8015 1 9 . 1 1 45 45 MET C C 45 178.153 178.153 178.719 -0.566 18521 8016 1 9 . 1 1 45 45 MET CA C 45 57.117 57.117 59.297 -2.180 18521 8017 1 9 . 1 1 45 45 MET CB C 45 32.517 32.517 32.847 -0.330 18521 8018 1 9 . 1 1 45 45 MET H H 45 7.740 7.740 7.857 -0.117 18521 8019 1 9 . 1 1 46 46 THR N N 46 120.159 120.159 115.925 4.234 18521 8020 1 9 . 1 1 46 46 THR HA H 46 3.620 3.620 3.965 -0.345 18521 8021 1 9 . 1 1 46 46 THR C C 46 176.389 176.389 176.399 -0.010 18521 8022 1 9 . 1 1 46 46 THR CA C 46 67.416 67.416 66.770 0.646 18521 8023 1 9 . 1 1 46 46 THR CB C 46 68.208 68.208 68.520 -0.312 18521 8024 1 9 . 1 1 46 46 THR H H 46 8.190 8.190 8.566 -0.376 18521 8025 1 9 . 1 1 47 47 ALA N N 47 124.729 124.729 123.905 0.824 18521 8026 1 9 . 1 1 47 47 ALA HA H 47 4.060 4.060 4.177 -0.117 18521 8027 1 9 . 1 1 47 47 ALA C C 47 179.554 179.554 179.420 0.134 18521 8028 1 9 . 1 1 47 47 ALA CA C 47 55.195 55.195 54.803 0.392 18521 8029 1 9 . 1 1 47 47 ALA CB C 47 17.654 17.654 18.112 -0.458 18521 8030 1 9 . 1 1 47 47 ALA H H 47 8.292 8.292 7.957 0.335 18521 8031 1 9 . 1 1 48 48 LEU N N 48 122.244 122.244 120.849 1.395 18521 8032 1 9 . 1 1 48 48 LEU HA H 48 4.195 4.195 4.063 0.132 18521 8033 1 9 . 1 1 48 48 LEU C C 48 178.022 178.022 178.501 -0.479 18521 8034 1 9 . 1 1 48 48 LEU CA C 48 57.695 57.695 57.534 0.161 18521 8035 1 9 . 1 1 48 48 LEU CB C 48 41.236 41.236 41.685 -0.449 18521 8036 1 9 . 1 1 48 48 LEU H H 48 7.723 7.723 7.836 -0.113 18521 8037 1 9 . 1 1 49 49 ALA N N 49 120.883 120.883 120.224 0.659 18521 8038 1 9 . 1 1 49 49 ALA HA H 49 3.854 3.854 3.923 -0.069 18521 8039 1 9 . 1 1 49 49 ALA C C 49 178.770 178.770 179.377 -0.607 18521 8040 1 9 . 1 1 49 49 ALA CA C 49 55.836 55.836 55.117 0.719 18521 8041 1 9 . 1 1 49 49 ALA CB C 49 17.137 17.137 18.187 -1.050 18521 8042 1 9 . 1 1 49 49 ALA H H 49 8.210 8.210 7.863 0.347 18521 8043 1 9 . 1 1 50 50 THR N N 50 113.676 113.676 114.838 -1.162 18521 8044 1 9 . 1 1 50 50 THR HA H 50 3.765 3.765 3.914 -0.149 18521 8045 1 9 . 1 1 50 50 THR C C 50 175.836 175.836 176.305 -0.469 18521 8046 1 9 . 1 1 50 50 THR CA C 50 66.975 66.975 67.638 -0.663 18521 8047 1 9 . 1 1 50 50 THR CB C 50 68.976 68.976 68.399 0.577 18521 8048 1 9 . 1 1 50 50 THR H H 50 7.891 7.891 7.652 0.239 18521 8049 1 9 . 1 1 51 51 GLU N N 51 123.445 123.445 122.518 0.927 18521 8050 1 9 . 1 1 51 51 GLU HA H 51 4.221 4.221 4.041 0.180 18521 8051 1 9 . 1 1 51 51 GLU C C 51 179.906 179.906 178.741 1.165 18521 8052 1 9 . 1 1 51 51 GLU CA C 51 59.436 59.436 59.226 0.210 18521 8053 1 9 . 1 1 51 51 GLU CB C 51 29.498 29.498 29.558 -0.060 18521 8054 1 9 . 1 1 51 51 GLU H H 51 7.877 7.877 7.800 0.077 18521 8055 1 9 . 1 1 52 52 LEU N N 52 121.629 121.629 119.316 2.313 18521 8056 1 9 . 1 1 52 52 LEU HA H 52 3.907 3.907 4.015 -0.108 18521 8057 1 9 . 1 1 52 52 LEU C C 52 178.993 178.993 179.041 -0.048 18521 8058 1 9 . 1 1 52 52 LEU CA C 52 57.840 57.840 57.653 0.187 18521 8059 1 9 . 1 1 52 52 LEU CB C 52 42.076 42.076 41.812 0.264 18521 8060 1 9 . 1 1 52 52 LEU H H 52 8.670 8.670 7.444 1.226 18521 8061 1 9 . 1 1 53 53 LEU N N 53 119.996 119.996 120.029 -0.033 18521 8062 1 9 . 1 1 53 53 LEU HA H 53 3.949 3.949 3.809 0.140 18521 8063 1 9 . 1 1 53 53 LEU C C 53 179.950 179.950 179.081 0.869 18521 8064 1 9 . 1 1 53 53 LEU CA C 53 58.480 58.480 58.100 0.380 18521 8065 1 9 . 1 1 53 53 LEU CB C 53 41.341 41.341 40.980 0.361 18521 8066 1 9 . 1 1 53 53 LEU H H 53 8.336 8.336 7.552 0.784 18521 8067 1 9 . 1 1 54 54 ASP N N 54 120.632 120.632 119.401 1.231 18521 8068 1 9 . 1 1 54 54 ASP HA H 54 4.409 4.409 4.487 -0.078 18521 8069 1 9 . 1 1 54 54 ASP C C 54 179.383 179.383 179.018 0.365 18521 8070 1 9 . 1 1 54 54 ASP CA C 54 57.510 57.510 57.343 0.168 18521 8071 1 9 . 1 1 54 54 ASP CB C 54 40.275 40.275 40.006 0.269 18521 8072 1 9 . 1 1 54 54 ASP H H 54 7.884 7.884 7.781 0.103 18521 8073 1 9 . 1 1 55 55 THR N N 55 121.006 121.006 117.686 3.320 18521 8074 1 9 . 1 1 55 55 THR HA H 55 3.923 3.923 4.167 -0.244 18521 8075 1 9 . 1 1 55 55 THR C C 55 177.066 177.066 176.873 0.193 18521 8076 1 9 . 1 1 55 55 THR CA C 55 67.018 67.018 66.346 0.672 18521 8077 1 9 . 1 1 55 55 THR CB C 55 68.725 68.725 68.594 0.131 18521 8078 1 9 . 1 1 55 55 THR H H 55 8.279 8.279 7.504 0.775 18521 8079 1 9 . 1 1 56 56 ILE N N 56 125.465 125.465 123.122 2.343 18521 8080 1 9 . 1 1 56 56 ILE HA H 56 3.748 3.748 3.846 -0.098 18521 8081 1 9 . 1 1 56 56 ILE C C 56 177.879 177.879 178.034 -0.155 18521 8082 1 9 . 1 1 56 56 ILE CA C 56 65.765 65.765 66.874 -1.109 18521 8083 1 9 . 1 1 56 56 ILE CB C 56 38.646 38.646 37.980 0.666 18521 8084 1 9 . 1 1 56 56 ILE H H 56 8.872 8.872 8.884 -0.012 18521 8085 1 9 . 1 1 57 57 GLU N N 57 119.951 119.951 120.204 -0.253 18521 8086 1 9 . 1 1 57 57 GLU HA H 57 4.034 4.034 3.982 0.052 18521 8087 1 9 . 1 1 57 57 GLU C C 57 179.357 179.357 178.740 0.617 18521 8088 1 9 . 1 1 57 57 GLU CA C 57 59.241 59.241 59.835 -0.594 18521 8089 1 9 . 1 1 57 57 GLU CB C 57 29.226 29.226 29.757 -0.531 18521 8090 1 9 . 1 1 57 57 GLU H H 57 8.024 8.024 8.650 -0.626 18521 8091 1 9 . 1 1 58 58 ALA N N 58 122.402 122.402 122.337 0.065 18521 8092 1 9 . 1 1 58 58 ALA HA H 58 4.044 4.044 4.135 -0.091 18521 8093 1 9 . 1 1 58 58 ALA C C 58 180.049 180.049 179.636 0.413 18521 8094 1 9 . 1 1 58 58 ALA CA C 58 55.167 55.167 55.008 0.159 18521 8095 1 9 . 1 1 58 58 ALA CB C 58 17.836 17.836 18.270 -0.434 18521 8096 1 9 . 1 1 58 58 ALA H H 58 8.026 8.026 8.125 -0.099 18521 8097 1 9 . 1 1 59 59 PHE N N 59 122.034 122.034 120.740 1.294 18521 8098 1 9 . 1 1 59 59 PHE HA H 59 4.165 4.165 4.177 -0.012 18521 8099 1 9 . 1 1 59 59 PHE C C 59 177.169 177.169 177.308 -0.139 18521 8100 1 9 . 1 1 59 59 PHE CA C 59 61.373 61.373 61.427 -0.054 18521 8101 1 9 . 1 1 59 59 PHE CB C 59 39.384 39.384 39.577 -0.193 18521 8102 1 9 . 1 1 59 59 PHE H H 59 8.243 8.243 8.877 -0.634 18521 8103 1 9 . 1 1 60 60 LYS N N 60 117.415 117.415 119.411 -1.996 18521 8104 1 9 . 1 1 60 60 LYS HA H 60 3.490 3.490 3.713 -0.223 18521 8105 1 9 . 1 1 60 60 LYS C C 60 179.705 179.705 178.523 1.182 18521 8106 1 9 . 1 1 60 60 LYS CA C 60 60.051 60.051 59.384 0.667 18521 8107 1 9 . 1 1 60 60 LYS CB C 60 32.376 32.376 32.556 -0.180 18521 8108 1 9 . 1 1 60 60 LYS H H 60 7.978 7.978 8.655 -0.677 18521 8109 1 9 . 1 1 61 61 LYS N N 61 119.540 119.540 118.730 0.810 18521 8110 1 9 . 1 1 61 61 LYS HA H 61 3.942 3.942 3.993 -0.051 18521 8111 1 9 . 1 1 61 61 LYS C C 61 178.728 178.728 178.719 0.009 18521 8112 1 9 . 1 1 61 61 LYS CA C 61 58.878 58.878 59.386 -0.508 18521 8113 1 9 . 1 1 61 61 LYS CB C 61 32.626 32.626 32.333 0.293 18521 8114 1 9 . 1 1 61 61 LYS H H 61 7.853 7.853 8.111 -0.258 18521 8115 1 9 . 1 1 62 62 GLU N N 62 121.166 121.166 116.509 4.657 18521 8116 1 9 . 1 1 62 62 GLU HA H 62 3.933 3.933 4.044 -0.111 18521 8117 1 9 . 1 1 62 62 GLU C C 62 178.405 178.405 177.268 1.137 18521 8118 1 9 . 1 1 62 62 GLU CA C 62 58.655 58.655 58.504 0.151 18521 8119 1 9 . 1 1 62 62 GLU CB C 62 29.439 29.439 29.675 -0.236 18521 8120 1 9 . 1 1 62 62 GLU H H 62 7.956 7.956 7.782 0.174 18521 8121 1 9 . 1 1 63 63 ILE N N 63 117.896 117.896 116.457 1.439 18521 8122 1 9 . 1 1 63 63 ILE HA H 63 3.707 3.707 4.155 -0.448 18521 8123 1 9 . 1 1 63 63 ILE C C 63 177.438 177.438 176.583 0.855 18521 8124 1 9 . 1 1 63 63 ILE CA C 63 61.473 61.473 60.269 1.204 18521 8125 1 9 . 1 1 63 63 ILE CB C 63 36.546 36.546 38.935 -2.389 18521 8126 1 9 . 1 1 63 63 ILE H H 63 7.652 7.652 7.227 0.425 18521 8127 1 9 . 1 1 64 64 GLY N N 64 108.028 108.028 108.822 -0.794 18521 8128 1 9 . 1 1 64 64 GLY C C 64 175.261 175.261 175.248 0.013 18521 8129 1 9 . 1 1 64 64 GLY CA C 64 45.891 45.891 47.210 -1.319 18521 8130 1 9 . 1 1 64 64 GLY H H 64 7.654 7.654 8.320 -0.666 18521 8131 1 9 . 1 1 65 65 GLY N N 65 108.488 108.488 107.343 1.145 18521 8132 1 9 . 1 1 65 65 GLY C C 65 174.844 174.844 175.081 -0.237 18521 8133 1 9 . 1 1 65 65 GLY CA C 65 45.608 45.608 45.491 0.117 18521 8134 1 9 . 1 1 65 65 GLY H H 65 7.817 7.817 8.110 -0.293 18521 8135 1 9 . 1 1 66 66 GLU N N 66 121.078 121.078 118.912 2.166 18521 8136 1 9 . 1 1 66 66 GLU HA H 66 4.167 4.167 4.133 0.034 18521 8137 1 9 . 1 1 66 66 GLU C C 66 177.218 177.218 176.917 0.301 18521 8138 1 9 . 1 1 66 66 GLU CA C 66 57.075 57.075 58.614 -1.539 18521 8139 1 9 . 1 1 66 66 GLU CB C 66 30.015 30.015 29.744 0.272 18521 8140 1 9 . 1 1 66 66 GLU H H 66 8.195 8.195 8.586 -0.391 18521 8141 1 9 . 1 1 67 67 SER N N 67 116.370 116.370 110.482 5.888 18521 8142 1 9 . 1 1 67 67 SER HA H 67 4.187 4.187 4.505 -0.318 18521 8143 1 9 . 1 1 67 67 SER C C 67 174.670 174.670 175.487 -0.817 18521 8144 1 9 . 1 1 67 67 SER CA C 67 58.875 58.875 59.797 -0.922 18521 8145 1 9 . 1 1 67 67 SER CB C 67 63.783 63.783 64.909 -1.126 18521 8146 1 9 . 1 1 67 67 SER H H 67 8.205 8.205 8.278 -0.073 18521 8147 1 9 . 1 1 68 68 GLU N N 68 122.388 122.388 122.781 -0.393 18521 8148 1 9 . 1 1 68 68 GLU HA H 68 4.173 4.173 4.146 0.027 18521 8149 1 9 . 1 1 68 68 GLU C C 68 176.364 176.364 178.137 -1.773 18521 8150 1 9 . 1 1 68 68 GLU CA C 68 56.734 56.734 58.989 -2.255 18521 8151 1 9 . 1 1 68 68 GLU CB C 68 29.986 29.986 29.268 0.718 18521 8152 1 9 . 1 1 68 68 GLU H H 68 8.170 8.170 8.800 -0.630 18521 8153 1 9 . 1 1 69 69 ALA N N 69 124.265 124.265 120.657 3.608 18521 8154 1 9 . 1 1 69 69 ALA HA H 69 4.212 4.212 4.392 -0.180 18521 8155 1 9 . 1 1 69 69 ALA C C 69 178.042 178.042 178.535 -0.493 18521 8156 1 9 . 1 1 69 69 ALA CA C 69 52.468 52.468 54.557 -2.089 18521 8157 1 9 . 1 1 69 69 ALA CB C 69 19.411 19.411 18.374 1.037 18521 8158 1 9 . 1 1 69 69 ALA H H 69 7.931 7.931 8.031 -0.100 18521 8159 1 9 . 1 1 70 70 GLU N N 70 121.086 121.086 117.647 3.439 18521 8160 1 9 . 1 1 70 70 GLU HA H 70 4.110 4.110 3.976 0.134 18521 8161 1 9 . 1 1 70 70 GLU C C 70 180.047 180.047 177.865 2.182 18521 8162 1 9 . 1 1 70 70 GLU CA C 70 57.325 57.325 58.596 -1.271 18521 8163 1 9 . 1 1 70 70 GLU CB C 70 29.969 29.969 29.578 0.391 18521 8164 1 9 . 1 1 70 70 GLU H H 70 8.447 8.447 7.708 0.739 18521 8165 1 9 . 1 1 71 71 ASP N N 71 120.210 120.210 117.926 2.284 18521 8166 1 9 . 1 1 71 71 ASP HA H 71 4.545 4.545 4.518 0.027 18521 8167 1 9 . 1 1 71 71 ASP C C 71 176.385 176.385 176.612 -0.227 18521 8168 1 9 . 1 1 71 71 ASP CA C 71 54.149 54.149 56.330 -2.181 18521 8169 1 9 . 1 1 71 71 ASP CB C 71 40.756 40.756 41.267 -0.511 18521 8170 1 9 . 1 1 71 71 ASP H H 71 8.308 8.308 7.623 0.685 18521 8171 1 9 . 1 1 72 72 SER N N 72 116.137 116.137 113.481 2.656 18521 8172 1 9 . 1 1 72 72 SER HA H 72 4.259 4.259 4.660 -0.401 18521 8173 1 9 . 1 1 72 72 SER C C 72 174.578 174.578 173.038 1.540 18521 8174 1 9 . 1 1 72 72 SER CA C 72 58.851 58.851 57.888 0.963 18521 8175 1 9 . 1 1 72 72 SER CB C 72 63.870 63.870 63.913 -0.043 18521 8176 1 9 . 1 1 72 72 SER H H 72 7.954 7.954 7.793 0.161 18521 8177 1 9 . 1 1 73 73 ASP N N 73 122.500 122.500 123.425 -0.925 18521 8178 1 9 . 1 1 73 73 ASP HA H 73 4.534 4.534 4.693 -0.159 18521 8179 1 9 . 1 1 73 73 ASP C C 73 176.903 176.903 176.178 0.725 18521 8180 1 9 . 1 1 73 73 ASP CA C 73 54.442 54.442 54.825 -0.383 18521 8181 1 9 . 1 1 73 73 ASP CB C 73 41.253 41.253 40.527 0.726 18521 8182 1 9 . 1 1 73 73 ASP H H 73 8.384 8.384 8.808 -0.424 18521 8183 1 9 . 1 1 74 74 LYS N N 74 123.374 123.374 120.446 2.928 18521 8184 1 9 . 1 1 74 74 LYS HA H 74 4.099 4.099 4.256 -0.157 18521 8185 1 9 . 1 1 74 74 LYS C C 74 177.606 177.606 178.498 -0.892 18521 8186 1 9 . 1 1 74 74 LYS CA C 74 57.527 57.527 57.951 -0.424 18521 8187 1 9 . 1 1 74 74 LYS CB C 74 32.115 32.115 32.802 -0.687 18521 8188 1 9 . 1 1 74 74 LYS H H 74 8.338 8.338 7.918 0.420 18521 8189 1 9 . 1 1 75 75 SER N N 75 116.404 116.404 116.576 -0.172 18521 8190 1 9 . 1 1 75 75 SER HA H 75 4.190 4.190 4.295 -0.105 18521 8191 1 9 . 1 1 75 75 SER C C 75 176.030 176.030 176.641 -0.611 18521 8192 1 9 . 1 1 75 75 SER CA C 75 60.560 60.560 60.805 -0.245 18521 8193 1 9 . 1 1 75 75 SER CB C 75 62.971 62.971 62.918 0.053 18521 8194 1 9 . 1 1 75 75 SER H H 75 8.409 8.409 8.289 0.120 18521 8195 1 9 . 1 1 76 76 LEU N N 76 123.753 123.753 123.370 0.383 18521 8196 1 9 . 1 1 76 76 LEU HA H 76 4.121 4.121 4.114 0.007 18521 8197 1 9 . 1 1 76 76 LEU C C 76 178.263 178.263 177.772 0.491 18521 8198 1 9 . 1 1 76 76 LEU CA C 76 56.665 56.665 57.205 -0.539 18521 8199 1 9 . 1 1 76 76 LEU CB C 76 41.538 41.538 41.767 -0.229 18521 8200 1 9 . 1 1 76 76 LEU H H 76 8.068 8.068 7.899 0.169 18521 8201 1 9 . 1 1 77 77 HIS N N 77 120.235 120.235 118.591 1.644 18521 8202 1 9 . 1 1 77 77 HIS HA H 77 4.372 4.372 4.211 0.161 18521 8203 1 9 . 1 1 77 77 HIS C C 77 177.974 177.974 177.266 0.708 18521 8204 1 9 . 1 1 77 77 HIS CA C 77 58.504 58.504 60.053 -1.549 18521 8205 1 9 . 1 1 77 77 HIS CB C 77 30.124 30.124 29.591 0.533 18521 8206 1 9 . 1 1 77 77 HIS H H 77 7.955 7.955 8.283 -0.328 18521 8207 1 9 . 1 1 78 78 VAL N N 78 121.721 121.721 120.855 0.866 18521 8208 1 9 . 1 1 78 78 VAL HA H 78 3.612 3.612 3.672 -0.060 18521 8209 1 9 . 1 1 78 78 VAL C C 78 177.688 177.688 177.458 0.230 18521 8210 1 9 . 1 1 78 78 VAL CA C 78 65.817 65.817 66.087 -0.270 18521 8211 1 9 . 1 1 78 78 VAL CB C 78 31.729 31.729 31.946 -0.217 18521 8212 1 9 . 1 1 78 78 VAL H H 78 7.953 7.953 7.688 0.265 18521 8213 1 9 . 1 1 79 79 MET N N 79 119.138 119.138 118.574 0.564 18521 8214 1 9 . 1 1 79 79 MET HA H 79 3.879 3.879 3.903 -0.024 18521 8215 1 9 . 1 1 79 79 MET C C 79 180.609 180.609 178.121 2.488 18521 8216 1 9 . 1 1 79 79 MET CA C 79 59.210 59.210 59.158 0.052 18521 8217 1 9 . 1 1 79 79 MET CB C 79 34.157 34.157 32.143 2.014 18521 8218 1 9 . 1 1 79 79 MET H H 79 8.132 8.132 7.925 0.207 18521 8219 1 9 . 1 1 80 80 ASN N N 80 117.000 117.000 117.403 -0.403 18521 8220 1 9 . 1 1 80 80 ASN HA H 80 4.161 4.161 4.240 -0.079 18521 8221 1 9 . 1 1 80 80 ASN C C 80 178.212 178.212 176.878 1.334 18521 8222 1 9 . 1 1 80 80 ASN CA C 80 56.827 56.827 55.995 0.832 18521 8223 1 9 . 1 1 80 80 ASN CB C 80 38.920 38.920 38.679 0.241 18521 8224 1 9 . 1 1 80 80 ASN H H 80 8.195 8.195 8.511 -0.316 18521 8225 1 9 . 1 1 81 81 THR N N 81 116.021 116.021 116.763 -0.742 18521 8226 1 9 . 1 1 81 81 THR HA H 81 3.975 3.975 3.968 0.007 18521 8227 1 9 . 1 1 81 81 THR C C 81 175.237 175.237 176.167 -0.930 18521 8228 1 9 . 1 1 81 81 THR CA C 81 66.507 66.507 66.687 -0.180 18521 8229 1 9 . 1 1 81 81 THR CB C 81 68.813 68.813 68.650 0.163 18521 8230 1 9 . 1 1 81 81 THR H H 81 7.952 7.952 7.840 0.112 18521 8231 1 9 . 1 1 82 82 LEU N N 82 119.041 119.041 120.156 -1.115 18521 8232 1 9 . 1 1 82 82 LEU HA H 82 4.040 4.040 4.082 -0.042 18521 8233 1 9 . 1 1 82 82 LEU C C 82 177.541 177.541 178.208 -0.667 18521 8234 1 9 . 1 1 82 82 LEU CA C 82 56.468 56.468 57.521 -1.053 18521 8235 1 9 . 1 1 82 82 LEU CB C 82 42.247 42.247 41.791 0.456 18521 8236 1 9 . 1 1 82 82 LEU H H 82 7.655 7.655 7.509 0.146 18521 8237 1 9 . 1 1 83 83 ILE N N 83 118.063 118.063 115.752 2.311 18521 8238 1 9 . 1 1 83 83 ILE HA H 83 3.805 3.805 3.859 -0.054 18521 8239 1 9 . 1 1 83 83 ILE C C 83 176.681 176.681 178.116 -1.435 18521 8240 1 9 . 1 1 83 83 ILE CA C 83 63.188 63.188 63.539 -0.351 18521 8241 1 9 . 1 1 83 83 ILE CB C 83 37.939 37.939 38.337 -0.399 18521 8242 1 9 . 1 1 83 83 ILE H H 83 7.455 7.455 7.061 0.394 18521 8243 1 9 . 1 1 84 84 HIS N N 84 116.118 116.118 116.527 -0.409 18521 8244 1 9 . 1 1 84 84 HIS HA H 84 4.568 4.568 4.420 0.148 18521 8245 1 9 . 1 1 84 84 HIS C C 84 175.568 175.568 175.807 -0.239 18521 8246 1 9 . 1 1 84 84 HIS CA C 84 58.425 58.425 58.115 0.310 18521 8247 1 9 . 1 1 84 84 HIS CB C 84 31.801 31.801 30.437 1.364 18521 8248 1 9 . 1 1 84 84 HIS H H 84 7.168 7.168 8.404 -1.236 18521 8249 1 9 . 1 1 85 85 ASP N N 85 122.411 122.411 120.171 2.240 18521 8250 1 9 . 1 1 85 85 ASP HA H 85 4.546 4.546 4.701 -0.155 18521 8251 1 9 . 1 1 85 85 ASP C C 85 175.527 175.527 176.960 -1.433 18521 8252 1 9 . 1 1 85 85 ASP CA C 85 53.215 53.215 53.563 -0.348 18521 8253 1 9 . 1 1 85 85 ASP CB C 85 40.936 40.936 40.805 0.131 18521 8254 1 9 . 1 1 85 85 ASP H H 85 8.576 8.576 8.164 0.412 18521 8255 1 9 . 1 1 86 86 GLN N N 86 122.561 122.561 126.852 -4.291 18521 8256 1 9 . 1 1 86 86 GLN HA H 86 4.077 4.077 4.093 -0.016 18521 8257 1 9 . 1 1 86 86 GLN C C 86 178.518 178.518 178.214 0.304 18521 8258 1 9 . 1 1 86 86 GLN CA C 86 57.816 57.816 58.596 -0.780 18521 8259 1 9 . 1 1 86 86 GLN CB C 86 29.165 29.165 28.659 0.506 18521 8260 1 9 . 1 1 86 86 GLN H H 86 8.715 8.715 8.464 0.251 18521 8261 1 9 . 1 1 87 87 GLU N N 87 121.616 121.616 119.512 2.104 18521 8262 1 9 . 1 1 87 87 GLU HA H 87 4.042 4.042 3.795 0.247 18521 8263 1 9 . 1 1 87 87 GLU C C 87 178.154 178.154 177.974 0.180 18521 8264 1 9 . 1 1 87 87 GLU CA C 87 59.051 59.051 59.339 -0.288 18521 8265 1 9 . 1 1 87 87 GLU CB C 87 29.231 29.231 29.448 -0.217 18521 8266 1 9 . 1 1 87 87 GLU H H 87 8.073 8.073 8.137 -0.064 18521 8267 1 9 . 1 1 88 88 LYS N N 88 119.006 119.006 119.400 -0.394 18521 8268 1 9 . 1 1 88 88 LYS HA H 88 3.754 3.754 3.996 -0.242 18521 8269 1 9 . 1 1 88 88 LYS C C 88 177.129 177.129 178.584 -1.455 18521 8270 1 9 . 1 1 88 88 LYS CA C 88 59.721 59.721 59.046 0.675 18521 8271 1 9 . 1 1 88 88 LYS CB C 88 32.253 32.253 32.452 -0.199 18521 8272 1 9 . 1 1 88 88 LYS H H 88 7.525 7.525 7.836 -0.311 18521 8273 1 9 . 1 1 89 89 ALA N N 89 121.945 121.945 121.501 0.444 18521 8274 1 9 . 1 1 89 89 ALA HA H 89 3.734 3.734 4.026 -0.292 18521 8275 1 9 . 1 1 89 89 ALA C C 89 177.545 177.545 178.919 -1.374 18521 8276 1 9 . 1 1 89 89 ALA CA C 89 55.977 55.977 55.105 0.873 18521 8277 1 9 . 1 1 89 89 ALA CB C 89 18.763 18.763 17.979 0.784 18521 8278 1 9 . 1 1 89 89 ALA H H 89 8.472 8.472 8.161 0.311 18521 8279 1 9 . 1 1 90 90 LYS N N 90 117.743 117.743 119.087 -1.344 18521 8280 1 9 . 1 1 90 90 LYS HA H 90 4.015 4.015 2.725 1.290 18521 8281 1 9 . 1 1 90 90 LYS C C 90 177.667 177.667 178.432 -0.765 18521 8282 1 9 . 1 1 90 90 LYS CA C 90 58.703 58.703 58.760 -0.057 18521 8283 1 9 . 1 1 90 90 LYS CB C 90 32.779 32.779 31.550 1.229 18521 8284 1 9 . 1 1 90 90 LYS H H 90 6.684 6.684 7.690 -1.006 18521 8285 1 9 . 1 1 91 91 ILE N N 91 117.216 117.216 118.969 -1.753 18521 8286 1 9 . 1 1 91 91 ILE HA H 91 3.414 3.414 3.575 -0.161 18521 8287 1 9 . 1 1 91 91 ILE C C 91 178.422 178.422 177.807 0.615 18521 8288 1 9 . 1 1 91 91 ILE CA C 91 64.094 64.094 65.148 -1.054 18521 8289 1 9 . 1 1 91 91 ILE CB C 91 37.481 37.481 37.766 -0.285 18521 8290 1 9 . 1 1 91 91 ILE H H 91 7.196 7.196 7.400 -0.204 18521 8291 1 9 . 1 1 92 92 TYR N N 92 122.201 122.201 120.813 1.388 18521 8292 1 9 . 1 1 92 92 TYR HA H 92 4.047 4.047 4.114 -0.067 18521 8293 1 9 . 1 1 92 92 TYR C C 92 177.726 177.726 177.382 0.344 18521 8294 1 9 . 1 1 92 92 TYR CA C 92 61.771 61.771 61.800 -0.029 18521 8295 1 9 . 1 1 92 92 TYR CB C 92 39.295 39.295 38.267 1.028 18521 8296 1 9 . 1 1 92 92 TYR H H 92 8.466 8.466 7.583 0.883 18521 8297 1 9 . 1 1 93 93 MET N N 93 117.420 117.420 119.853 -2.433 18521 8298 1 9 . 1 1 93 93 MET HA H 93 3.896 3.896 3.982 -0.086 18521 8299 1 9 . 1 1 93 93 MET C C 93 180.221 180.221 177.773 2.448 18521 8300 1 9 . 1 1 93 93 MET CA C 93 57.586 57.586 58.246 -0.660 18521 8301 1 9 . 1 1 93 93 MET CB C 93 30.854 30.854 32.162 -1.308 18521 8302 1 9 . 1 1 93 93 MET H H 93 8.269 8.269 8.795 -0.526 18521 8303 1 9 . 1 1 94 94 LEU N N 94 125.183 125.183 120.494 4.689 18521 8304 1 9 . 1 1 94 94 LEU HA H 94 3.826 3.826 3.880 -0.054 18521 8305 1 9 . 1 1 94 94 LEU C C 94 177.787 177.787 178.173 -0.386 18521 8306 1 9 . 1 1 94 94 LEU CA C 94 58.729 58.729 58.539 0.190 18521 8307 1 9 . 1 1 94 94 LEU CB C 94 42.188 42.188 41.564 0.624 18521 8308 1 9 . 1 1 94 94 LEU H H 94 8.733 8.733 8.396 0.337 18521 8309 1 9 . 1 1 95 95 ASN N N 95 121.517 121.517 118.416 3.101 18521 8310 1 9 . 1 1 95 95 ASN HA H 95 4.184 4.184 4.293 -0.109 18521 8311 1 9 . 1 1 95 95 ASN C C 95 178.481 178.481 177.766 0.715 18521 8312 1 9 . 1 1 95 95 ASN CA C 95 56.312 56.312 56.341 -0.029 18521 8313 1 9 . 1 1 95 95 ASN H H 95 8.951 8.951 8.351 0.600 18521 8314 1 9 . 1 1 96 96 PHE N N 96 122.778 122.778 121.825 0.953 18521 8315 1 9 . 1 1 96 96 PHE HA H 96 4.341 4.341 4.118 0.223 18521 8316 1 9 . 1 1 96 96 PHE C C 96 177.925 177.925 177.210 0.715 18521 8317 1 9 . 1 1 96 96 PHE CA C 96 62.427 62.427 61.645 0.782 18521 8318 1 9 . 1 1 96 96 PHE H H 96 8.454 8.454 8.655 -0.201 18521 8319 1 9 . 1 1 97 97 THR N N 97 117.115 117.115 116.199 0.916 18521 8320 1 9 . 1 1 97 97 THR HA H 97 3.369 3.369 3.780 -0.411 18521 8321 1 9 . 1 1 97 97 THR C C 97 176.185 176.185 176.584 -0.399 18521 8322 1 9 . 1 1 97 97 THR CA C 97 68.090 68.090 66.866 1.224 18521 8323 1 9 . 1 1 97 97 THR CB C 97 68.087 68.087 68.178 -0.091 18521 8324 1 9 . 1 1 97 97 THR H H 97 8.209 8.209 8.811 -0.602 18521 8325 1 9 . 1 1 98 98 MET N N 98 119.373 119.373 119.981 -0.608 18521 8326 1 9 . 1 1 98 98 MET HA H 98 4.360 4.360 4.420 -0.060 18521 8327 1 9 . 1 1 98 98 MET C C 98 177.887 177.887 178.412 -0.525 18521 8328 1 9 . 1 1 98 98 MET CA C 98 58.143 58.143 57.496 0.647 18521 8329 1 9 . 1 1 98 98 MET CB C 98 31.948 31.948 31.558 0.390 18521 8330 1 9 . 1 1 98 98 MET H H 98 8.958 8.958 8.867 0.091 18521 8331 1 9 . 1 1 99 99 SER N N 99 114.517 114.517 116.867 -2.350 18521 8332 1 9 . 1 1 99 99 SER HA H 99 4.043 4.043 4.137 -0.094 18521 8333 1 9 . 1 1 99 99 SER C C 99 176.195 176.195 176.772 -0.577 18521 8334 1 9 . 1 1 99 99 SER CA C 99 62.481 62.481 61.421 1.060 18521 8335 1 9 . 1 1 99 99 SER CB C 99 62.692 62.692 62.270 0.422 18521 8336 1 9 . 1 1 99 99 SER H H 99 7.708 7.708 8.223 -0.515 18521 8337 1 9 . 1 1 100 100 LEU N N 100 125.126 125.126 123.687 1.439 18521 8338 1 9 . 1 1 100 100 LEU HA H 100 3.913 3.913 4.022 -0.109 18521 8339 1 9 . 1 1 100 100 LEU C C 100 177.327 177.327 177.930 -0.603 18521 8340 1 9 . 1 1 100 100 LEU CA C 100 58.005 58.005 57.516 0.489 18521 8341 1 9 . 1 1 100 100 LEU CB C 100 41.841 41.841 41.423 0.418 18521 8342 1 9 . 1 1 100 100 LEU H H 100 7.277 7.277 7.372 -0.095 18521 8343 1 9 . 1 1 101 101 TYR N N 101 120.940 120.940 119.646 1.294 18521 8344 1 9 . 1 1 101 101 TYR HA H 101 4.143 4.143 4.118 0.025 18521 8345 1 9 . 1 1 101 101 TYR C C 101 176.784 176.784 177.436 -0.652 18521 8346 1 9 . 1 1 101 101 TYR CA C 101 61.543 61.543 61.729 -0.186 18521 8347 1 9 . 1 1 101 101 TYR CB C 101 40.909 40.909 38.602 2.307 18521 8348 1 9 . 1 1 101 101 TYR H H 101 8.858 8.858 8.669 0.189 18521 8349 1 9 . 1 1 102 102 ASN N N 102 119.067 119.067 117.473 1.594 18521 8350 1 9 . 1 1 102 102 ASN HA H 102 4.116 4.116 4.218 -0.102 18521 8351 1 9 . 1 1 102 102 ASN C C 102 178.713 178.713 177.432 1.281 18521 8352 1 9 . 1 1 102 102 ASN CA C 102 55.734 55.734 56.336 -0.602 18521 8353 1 9 . 1 1 102 102 ASN H H 102 8.700 8.700 8.789 -0.089 18521 8354 1 9 . 1 1 103 103 GLU N N 103 119.558 119.558 119.969 -0.411 18521 8355 1 9 . 1 1 103 103 GLU HA H 103 3.944 3.944 3.909 0.035 18521 8356 1 9 . 1 1 103 103 GLU C C 103 179.012 179.012 178.980 0.032 18521 8357 1 9 . 1 1 103 103 GLU CA C 103 59.506 59.506 59.529 -0.023 18521 8358 1 9 . 1 1 103 103 GLU CB C 103 29.349 29.349 29.445 -0.096 18521 8359 1 9 . 1 1 103 103 GLU H H 103 7.599 7.599 7.910 -0.311 18521 8360 1 9 . 1 1 104 104 LYS N N 104 120.218 120.218 119.139 1.079 18521 8361 1 9 . 1 1 104 104 LYS HA H 104 4.051 4.051 3.989 0.062 18521 8362 1 9 . 1 1 104 104 LYS C C 104 178.477 178.477 178.857 -0.380 18521 8363 1 9 . 1 1 104 104 LYS CA C 104 56.534 56.534 58.369 -1.835 18521 8364 1 9 . 1 1 104 104 LYS CB C 104 29.108 29.108 31.954 -2.846 18521 8365 1 9 . 1 1 104 104 LYS H H 104 8.311 8.311 7.459 0.852 18521 8366 1 9 . 1 1 105 105 LEU N N 105 122.110 122.110 120.130 1.980 18521 8367 1 9 . 1 1 105 105 LEU HA H 105 3.774 3.774 3.834 -0.060 18521 8368 1 9 . 1 1 105 105 LEU C C 105 180.224 180.224 178.628 1.596 18521 8369 1 9 . 1 1 105 105 LEU CA C 105 58.148 58.148 58.010 0.138 18521 8370 1 9 . 1 1 105 105 LEU CB C 105 42.394 42.394 41.542 0.852 18521 8371 1 9 . 1 1 105 105 LEU H H 105 8.604 8.604 7.731 0.873 18521 8372 1 9 . 1 1 106 106 LYS N N 106 119.031 119.031 118.973 0.058 18521 8373 1 9 . 1 1 106 106 LYS HA H 106 4.035 4.035 3.850 0.185 18521 8374 1 9 . 1 1 106 106 LYS C C 106 178.496 178.496 179.404 -0.908 18521 8375 1 9 . 1 1 106 106 LYS CA C 106 59.820 59.820 59.313 0.507 18521 8376 1 9 . 1 1 106 106 LYS CB C 106 31.956 31.956 32.126 -0.170 18521 8377 1 9 . 1 1 106 106 LYS H H 106 7.339 7.339 7.922 -0.583 18521 8378 1 9 . 1 1 107 107 GLN N N 107 121.417 121.417 119.318 2.099 18521 8379 1 9 . 1 1 107 107 GLN HA H 107 3.744 3.744 3.862 -0.118 18521 8380 1 9 . 1 1 107 107 GLN C C 107 178.103 178.103 178.339 -0.236 18521 8381 1 9 . 1 1 107 107 GLN CA C 107 58.582 58.582 58.524 0.058 18521 8382 1 9 . 1 1 107 107 GLN CB C 107 26.969 26.969 28.165 -1.196 18521 8383 1 9 . 1 1 107 107 GLN H H 107 7.590 7.590 7.966 -0.376 18521 8384 1 9 . 1 1 108 108 LEU N N 108 120.629 120.629 118.129 2.500 18521 8385 1 9 . 1 1 108 108 LEU HA H 108 3.806 3.806 4.475 -0.669 18521 8386 1 9 . 1 1 108 108 LEU C C 108 178.978 178.978 178.608 0.370 18521 8387 1 9 . 1 1 108 108 LEU CA C 108 58.306 58.306 57.340 0.966 18521 8388 1 9 . 1 1 108 108 LEU CB C 108 42.112 42.112 41.812 0.300 18521 8389 1 9 . 1 1 108 108 LEU H H 108 8.450 8.450 7.285 1.165 18521 8390 1 9 . 1 1 109 109 LYS N N 109 119.584 119.584 117.641 1.943 18521 8391 1 9 . 1 1 109 109 LYS HA H 109 4.166 4.166 4.087 0.079 18521 8392 1 9 . 1 1 109 109 LYS C C 109 177.859 177.859 177.130 0.729 18521 8393 1 9 . 1 1 109 109 LYS CA C 109 58.746 58.746 58.774 -0.028 18521 8394 1 9 . 1 1 109 109 LYS CB C 109 32.637 32.637 32.702 -0.064 18521 8395 1 9 . 1 1 109 109 LYS H H 109 7.295 7.295 7.780 -0.485 18521 8396 1 9 . 1 1 110 110 ASP N N 110 116.950 116.950 113.294 3.656 18521 8397 1 9 . 1 1 110 110 ASP HA H 110 4.604 4.604 4.984 -0.380 18521 8398 1 9 . 1 1 110 110 ASP C C 110 177.157 177.157 175.077 2.080 18521 8399 1 9 . 1 1 110 110 ASP CA C 110 55.768 55.768 54.327 1.441 18521 8400 1 9 . 1 1 110 110 ASP CB C 110 42.724 42.724 43.554 -0.830 18521 8401 1 9 . 1 1 110 110 ASP H H 110 7.807 7.807 7.704 0.103 18521 8402 1 9 . 1 1 111 111 GLY N N 111 114.046 114.046 110.051 3.995 18521 8403 1 9 . 1 1 111 111 GLY CA C 111 41.845 41.845 44.326 -2.481 18521 8404 1 9 . 1 1 111 111 GLY H H 111 8.554 8.554 7.516 1.038 18521 8405 1 9 . 1 1 112 112 PRO HA H 112 4.552 4.552 4.040 0.512 18521 8406 1 9 . 1 1 112 112 PRO C C 112 174.967 174.967 175.537 -0.570 18521 8407 1 9 . 1 1 112 112 PRO CA C 112 61.222 61.222 62.596 -1.374 18521 8408 1 9 . 1 1 112 112 PRO CB C 112 35.056 35.056 32.538 2.518 18521 8409 1 9 . 1 1 113 113 TRP N N 113 123.139 123.139 122.667 0.472 18521 8410 1 9 . 1 1 113 113 TRP HA H 113 4.650 4.650 4.787 -0.137 18521 8411 1 9 . 1 1 113 113 TRP C C 113 174.604 174.604 175.207 -0.603 18521 8412 1 9 . 1 1 113 113 TRP CA C 113 58.154 58.154 56.727 1.427 18521 8413 1 9 . 1 1 113 113 TRP CB C 113 27.048 27.048 31.396 -4.348 18521 8414 1 9 . 1 1 113 113 TRP H H 113 8.671 8.671 8.449 0.222 18521 8415 1 9 . 1 1 114 114 ASP N N 114 121.440 121.440 118.113 3.327 18521 8416 1 9 . 1 1 114 114 ASP HA H 114 4.930 4.930 4.789 0.141 18521 8417 1 9 . 1 1 114 114 ASP C C 114 176.979 176.979 176.146 0.833 18521 8418 1 9 . 1 1 114 114 ASP CA C 114 52.223 52.223 52.544 -0.321 18521 8419 1 9 . 1 1 114 114 ASP CB C 114 43.192 43.192 42.278 0.915 18521 8420 1 9 . 1 1 114 114 ASP H H 114 6.950 6.950 8.072 -1.122 18521 8421 1 9 . 1 1 115 115 VAL N N 115 118.386 118.386 120.289 -1.903 18521 8422 1 9 . 1 1 115 115 VAL HA H 115 3.825 3.825 3.794 0.031 18521 8423 1 9 . 1 1 115 115 VAL C C 115 177.760 177.760 178.062 -0.302 18521 8424 1 9 . 1 1 115 115 VAL CA C 115 65.611 65.611 65.388 0.224 18521 8425 1 9 . 1 1 115 115 VAL CB C 115 31.657 31.657 32.058 -0.401 18521 8426 1 9 . 1 1 115 115 VAL H H 115 8.181 8.181 8.384 -0.203 18521 8427 1 9 . 1 1 116 116 MET N N 116 120.354 120.354 118.552 1.802 18521 8428 1 9 . 1 1 116 116 MET HA H 116 4.284 4.284 4.148 0.136 18521 8429 1 9 . 1 1 116 116 MET C C 116 179.336 179.336 178.224 1.112 18521 8430 1 9 . 1 1 116 116 MET CA C 116 57.392 57.392 58.817 -1.425 18521 8431 1 9 . 1 1 116 116 MET CB C 116 30.450 30.450 32.231 -1.781 18521 8432 1 9 . 1 1 116 116 MET H H 116 7.661 7.661 7.928 -0.267 18521 8433 1 9 . 1 1 117 117 LEU N N 117 125.774 125.774 120.624 5.150 18521 8434 1 9 . 1 1 117 117 LEU HA H 117 4.129 4.129 4.093 0.036 18521 8435 1 9 . 1 1 117 117 LEU C C 117 178.399 178.399 178.352 0.047 18521 8436 1 9 . 1 1 117 117 LEU CA C 117 58.353 58.353 58.054 0.299 18521 8437 1 9 . 1 1 117 117 LEU CB C 117 40.392 40.392 41.738 -1.346 18521 8438 1 9 . 1 1 117 117 LEU H H 117 8.179 8.179 9.110 -0.931 18521 8439 1 9 . 1 1 118 118 LYS N N 118 118.471 118.471 119.479 -1.008 18521 8440 1 9 . 1 1 118 118 LYS HA H 118 3.824 3.824 3.957 -0.133 18521 8441 1 9 . 1 1 118 118 LYS C C 118 178.259 178.259 179.113 -0.854 18521 8442 1 9 . 1 1 118 118 LYS CA C 118 60.497 60.497 60.067 0.430 18521 8443 1 9 . 1 1 118 118 LYS CB C 118 32.355 32.355 32.292 0.063 18521 8444 1 9 . 1 1 118 118 LYS H H 118 7.359 7.359 7.654 -0.295 18521 8445 1 9 . 1 1 119 119 ARG N N 119 117.838 117.838 118.230 -0.392 18521 8446 1 9 . 1 1 119 119 ARG HA H 119 4.158 4.158 4.255 -0.097 18521 8447 1 9 . 1 1 119 119 ARG C C 119 180.132 180.132 179.201 0.931 18521 8448 1 9 . 1 1 119 119 ARG CA C 119 59.535 59.535 59.521 0.014 18521 8449 1 9 . 1 1 119 119 ARG CB C 119 29.994 29.994 30.349 -0.355 18521 8450 1 9 . 1 1 119 119 ARG H H 119 8.316 8.316 8.037 0.279 18521 8451 1 9 . 1 1 120 120 SER N N 120 117.258 117.258 116.432 0.826 18521 8452 1 9 . 1 1 120 120 SER HA H 120 4.374 4.374 4.317 0.057 18521 8453 1 9 . 1 1 120 120 SER C C 120 176.034 176.034 176.538 -0.504 18521 8454 1 9 . 1 1 120 120 SER CA C 120 62.728 62.728 61.576 1.152 18521 8455 1 9 . 1 1 120 120 SER CB C 120 63.050 63.050 62.458 0.592 18521 8456 1 9 . 1 1 120 120 SER H H 120 8.598 8.598 8.029 0.569 18521 8457 1 9 . 1 1 121 121 LEU N N 121 125.307 125.307 122.916 2.391 18521 8458 1 9 . 1 1 121 121 LEU HA H 121 4.192 4.192 4.160 0.032 18521 8459 1 9 . 1 1 121 121 LEU C C 121 179.621 179.621 179.041 0.580 18521 8460 1 9 . 1 1 121 121 LEU CA C 121 58.894 58.894 57.881 1.013 18521 8461 1 9 . 1 1 121 121 LEU CB C 121 41.188 41.188 41.464 -0.276 18521 8462 1 9 . 1 1 121 121 LEU H H 121 8.250 8.250 8.270 -0.020 18521 8463 1 9 . 1 1 122 122 TRP N N 122 120.444 120.444 119.437 1.007 18521 8464 1 9 . 1 1 122 122 TRP HA H 122 4.368 4.368 4.384 -0.016 18521 8465 1 9 . 1 1 122 122 TRP C C 122 176.943 176.943 178.596 -1.653 18521 8466 1 9 . 1 1 122 122 TRP CA C 122 61.452 61.452 61.703 -0.251 18521 8467 1 9 . 1 1 122 122 TRP CB C 122 29.823 29.823 29.129 0.694 18521 8468 1 9 . 1 1 122 122 TRP H H 122 7.873 7.873 7.722 0.151 18521 8469 1 9 . 1 1 123 123 CYS N N 123 120.188 120.188 119.573 0.615 18521 8470 1 9 . 1 1 123 123 CYS HA H 123 4.264 4.264 4.146 0.118 18521 8471 1 9 . 1 1 123 123 CYS C C 123 176.875 176.875 177.033 -0.158 18521 8472 1 9 . 1 1 123 123 CYS CA C 123 60.573 60.573 63.765 -3.192 18521 8473 1 9 . 1 1 123 123 CYS CB C 123 25.642 25.642 27.588 -1.946 18521 8474 1 9 . 1 1 123 123 CYS H H 123 8.271 8.271 7.939 0.332 18521 8475 1 9 . 1 1 124 124 CYS N N 124 116.760 116.760 119.105 -2.345 18521 8476 1 9 . 1 1 124 124 CYS HA H 124 3.880 3.880 4.025 -0.145 18521 8477 1 9 . 1 1 124 124 CYS C C 124 175.810 175.810 176.884 -1.074 18521 8478 1 9 . 1 1 124 124 CYS CA C 124 65.646 65.646 64.508 1.138 18521 8479 1 9 . 1 1 124 124 CYS CB C 124 28.069 28.069 27.790 0.279 18521 8480 1 9 . 1 1 124 124 CYS H H 124 8.208 8.208 8.015 0.193 18521 8481 1 9 . 1 1 125 125 ILE N N 125 121.167 121.167 121.001 0.166 18521 8482 1 9 . 1 1 125 125 ILE HA H 125 3.580 3.580 3.818 -0.238 18521 8483 1 9 . 1 1 125 125 ILE C C 125 179.302 179.302 177.803 1.499 18521 8484 1 9 . 1 1 125 125 ILE CA C 125 67.663 67.663 65.888 1.775 18521 8485 1 9 . 1 1 125 125 ILE CB C 125 37.988 37.988 37.535 0.453 18521 8486 1 9 . 1 1 125 125 ILE H H 125 8.073 8.073 7.843 0.230 18521 8487 1 9 . 1 1 126 126 ASP N N 126 124.812 124.812 120.085 4.727 18521 8488 1 9 . 1 1 126 126 ASP HA H 126 4.622 4.622 4.531 0.091 18521 8489 1 9 . 1 1 126 126 ASP C C 126 178.091 178.091 179.047 -0.956 18521 8490 1 9 . 1 1 126 126 ASP CA C 126 58.885 58.885 57.511 1.373 18521 8491 1 9 . 1 1 126 126 ASP CB C 126 40.408 40.408 40.404 0.004 18521 8492 1 9 . 1 1 126 126 ASP H H 126 8.778 8.778 7.853 0.925 18521 8493 1 9 . 1 1 127 127 LEU N N 127 122.531 122.531 119.944 2.587 18521 8494 1 9 . 1 1 127 127 LEU HA H 127 3.841 3.841 3.867 -0.026 18521 8495 1 9 . 1 1 127 127 LEU C C 127 179.582 179.582 178.950 0.632 18521 8496 1 9 . 1 1 127 127 LEU CA C 127 58.632 58.632 57.836 0.796 18521 8497 1 9 . 1 1 127 127 LEU CB C 127 42.680 42.680 41.553 1.127 18521 8498 1 9 . 1 1 127 127 LEU H H 127 8.888 8.888 7.407 1.481 18521 8499 1 9 . 1 1 128 128 ILE N N 128 121.311 121.311 118.740 2.571 18521 8500 1 9 . 1 1 128 128 ILE HA H 128 3.938 3.938 3.737 0.201 18521 8501 1 9 . 1 1 128 128 ILE C C 128 176.725 176.725 178.088 -1.363 18521 8502 1 9 . 1 1 128 128 ILE CA C 128 60.922 60.922 64.841 -3.919 18521 8503 1 9 . 1 1 128 128 ILE CB C 128 38.971 38.971 37.135 1.836 18521 8504 1 9 . 1 1 128 128 ILE H H 128 7.469 7.469 7.727 -0.258 18521 8505 1 9 . 1 1 129 129 ASN N N 129 122.727 122.727 118.216 4.511 18521 8506 1 9 . 1 1 129 129 ASN HA H 129 4.582 4.582 4.345 0.237 18521 8507 1 9 . 1 1 129 129 ASN C C 129 177.132 177.132 177.250 -0.118 18521 8508 1 9 . 1 1 129 129 ASN CA C 129 52.982 52.982 56.363 -3.381 18521 8509 1 9 . 1 1 129 129 ASN CB C 129 38.792 38.792 38.301 0.491 18521 8510 1 9 . 1 1 129 129 ASN H H 129 8.173 8.173 8.027 0.146 18521 8511 1 9 . 1 1 130 130 ILE N N 130 120.527 120.527 120.644 -0.117 18521 8512 1 9 . 1 1 130 130 ILE HA H 130 4.305 4.305 2.102 2.203 18521 8513 1 9 . 1 1 130 130 ILE C C 130 175.796 175.796 177.335 -1.539 18521 8514 1 9 . 1 1 130 130 ILE CA C 130 61.246 61.246 63.840 -2.594 18521 8515 1 9 . 1 1 130 130 ILE CB C 130 38.797 38.797 37.491 1.306 18521 8516 1 9 . 1 1 130 130 ILE H H 130 8.096 8.096 7.462 0.634 18521 8517 1 9 . 1 1 131 131 ASP N N 131 122.165 122.165 122.071 0.094 18521 8518 1 9 . 1 1 131 131 ASP HA H 131 4.416 4.416 3.986 0.430 18521 8519 1 9 . 1 1 131 131 ASP C C 131 176.750 176.750 178.348 -1.598 18521 8520 1 9 . 1 1 131 131 ASP CA C 131 55.955 55.955 57.880 -1.925 18521 8521 1 9 . 1 1 131 131 ASP CB C 131 41.117 41.117 40.688 0.429 18521 8522 1 9 . 1 1 131 131 ASP H H 131 8.157 8.157 7.684 0.473 18521 8523 1 9 . 1 1 132 132 LYS N N 132 119.537 119.537 117.979 1.558 18521 8524 1 9 . 1 1 132 132 LYS HA H 132 4.373 4.373 3.893 0.480 18521 8525 1 9 . 1 1 132 132 LYS C C 132 176.405 176.405 178.036 -1.631 18521 8526 1 9 . 1 1 132 132 LYS CA C 132 55.699 55.699 59.280 -3.581 18521 8527 1 9 . 1 1 132 132 LYS CB C 132 32.822 32.822 32.112 0.710 18521 8528 1 9 . 1 1 132 132 LYS H H 132 8.023 8.023 7.612 0.411 18521 8529 1 9 . 1 1 133 133 LEU N N 133 120.242 120.242 119.677 0.565 18521 8530 1 9 . 1 1 133 133 LEU HA H 133 4.158 4.158 4.266 -0.108 18521 8531 1 9 . 1 1 133 133 LEU C C 133 178.449 178.449 179.804 -1.355 18521 8532 1 9 . 1 1 133 133 LEU CA C 133 57.538 57.538 58.136 -0.598 18521 8533 1 9 . 1 1 133 133 LEU CB C 133 41.572 41.572 42.665 -1.093 18521 8534 1 9 . 1 1 133 133 LEU H H 133 8.024 8.024 7.415 0.609 18521 8535 1 9 . 1 1 134 134 GLN N N 134 117.985 117.985 118.045 -0.060 18521 8536 1 9 . 1 1 134 134 GLN HA H 134 4.018 4.018 3.746 0.272 18521 8537 1 9 . 1 1 134 134 GLN C C 134 179.500 179.500 176.962 2.538 18521 8538 1 9 . 1 1 134 134 GLN CA C 134 58.175 58.175 57.895 0.280 18521 8539 1 9 . 1 1 134 134 GLN CB C 134 29.102 29.102 28.113 0.989 18521 8540 1 9 . 1 1 134 134 GLN H H 134 8.536 8.536 8.155 0.381 18521 8541 1 9 . 1 1 135 135 TRP N N 135 115.550 115.550 115.358 0.192 18521 8542 1 9 . 1 1 135 135 TRP HA H 135 4.991 4.991 4.937 0.054 18521 8543 1 9 . 1 1 135 135 TRP C C 135 175.170 175.170 176.081 -0.911 18521 8544 1 9 . 1 1 135 135 TRP CA C 135 59.426 59.426 55.654 3.772 18521 8545 1 9 . 1 1 135 135 TRP CB C 135 26.894 26.894 28.323 -1.429 18521 8546 1 9 . 1 1 135 135 TRP H H 135 7.727 7.727 7.434 0.293 18521 8547 1 9 . 1 1 136 136 LYS N N 136 119.841 119.841 121.150 -1.309 18521 8548 1 9 . 1 1 136 136 LYS HA H 136 3.830 3.830 4.061 -0.231 18521 8549 1 9 . 1 1 136 136 LYS C C 136 178.330 178.330 178.151 0.179 18521 8550 1 9 . 1 1 136 136 LYS CA C 136 60.194 60.194 59.731 0.463 18521 8551 1 9 . 1 1 136 136 LYS CB C 136 32.902 32.902 32.070 0.832 18521 8552 1 9 . 1 1 136 136 LYS H H 136 6.580 6.580 7.584 -1.004 18521 8553 1 9 . 1 1 137 137 GLU N N 137 115.250 115.250 116.532 -1.282 18521 8554 1 9 . 1 1 137 137 GLU HA H 137 4.177 4.177 4.125 0.052 18521 8555 1 9 . 1 1 137 137 GLU C C 137 176.698 176.698 176.878 -0.180 18521 8556 1 9 . 1 1 137 137 GLU CA C 137 57.766 57.766 58.169 -0.403 18521 8557 1 9 . 1 1 137 137 GLU CB C 137 29.221 29.221 29.217 0.004 18521 8558 1 9 . 1 1 137 137 GLU H H 137 8.549 8.549 8.733 -0.184 18521 8559 1 9 . 1 1 138 138 ASN N N 138 116.578 116.578 116.065 0.513 18521 8560 1 9 . 1 1 138 138 ASN HA H 138 4.943 4.943 4.792 0.151 18521 8561 1 9 . 1 1 138 138 ASN C C 138 173.448 173.448 174.179 -0.731 18521 8562 1 9 . 1 1 138 138 ASN CA C 138 52.681 52.681 53.134 -0.453 18521 8563 1 9 . 1 1 138 138 ASN CB C 138 40.833 40.833 39.616 1.217 18521 8564 1 9 . 1 1 138 138 ASN H H 138 8.337 8.337 7.625 0.712 18521 8565 1 9 . 1 1 139 139 ILE N N 139 120.835 120.835 119.914 0.921 18521 8566 1 9 . 1 1 139 139 ILE HA H 139 4.339 4.339 4.260 0.079 18521 8567 1 9 . 1 1 139 139 ILE C C 139 175.219 175.219 174.847 0.372 18521 8568 1 9 . 1 1 139 139 ILE CA C 139 60.867 60.867 60.657 0.210 18521 8569 1 9 . 1 1 139 139 ILE CB C 139 40.270 40.270 40.489 -0.219 18521 8570 1 9 . 1 1 139 139 ILE H H 139 7.138 7.138 7.349 -0.211 18521 8571 1 9 . 1 1 140 140 MET N N 140 123.319 123.319 121.657 1.662 18521 8572 1 9 . 1 1 140 140 MET HA H 140 4.324 4.324 4.494 -0.170 18521 8573 1 9 . 1 1 140 140 MET C C 140 177.931 177.931 177.312 0.619 18521 8574 1 9 . 1 1 140 140 MET CA C 140 58.511 58.511 54.631 3.880 18521 8575 1 9 . 1 1 140 140 MET CB C 140 65.156 65.156 64.112 1.044 18521 8576 1 9 . 1 1 140 140 MET H H 140 8.714 8.714 8.494 0.220 18521 8577 1 9 . 1 1 141 141 LEU N N 141 120.610 120.610 124.286 -3.676 18521 8578 1 9 . 1 1 141 141 LEU HA H 141 4.047 4.047 4.044 0.003 18521 8579 1 9 . 1 1 141 141 LEU C C 141 177.281 177.281 179.050 -1.769 18521 8580 1 9 . 1 1 141 141 LEU CA C 141 58.362 58.362 58.320 0.042 18521 8581 1 9 . 1 1 141 141 LEU H H 141 8.333 8.333 8.876 -0.543 18521 8582 1 9 . 1 1 142 142 ASP N N 142 121.268 121.268 121.486 -0.218 18521 8583 1 9 . 1 1 142 142 ASP HA H 142 4.415 4.415 4.432 -0.017 18521 8584 1 9 . 1 1 142 142 ASP C C 142 175.916 175.916 178.179 -2.263 18521 8585 1 9 . 1 1 142 142 ASP CA C 142 54.678 54.678 58.464 -3.786 18521 8586 1 9 . 1 1 142 142 ASP CB C 142 68.329 68.329 68.613 -0.284 18521 8587 1 9 . 1 1 142 142 ASP H H 142 8.199 8.199 8.218 -0.019 18521 8588 1 9 . 1 1 143 143 LEU N N 143 120.218 120.218 122.527 -2.309 18521 8589 1 9 . 1 1 143 143 LEU HA H 143 4.108 4.108 4.116 -0.008 18521 8590 1 9 . 1 1 143 143 LEU C C 143 176.205 176.205 178.985 -2.780 18521 8591 1 9 . 1 1 143 143 LEU CA C 143 57.314 57.314 58.543 -1.229 18521 8592 1 9 . 1 1 143 143 LEU CB C 143 39.700 39.700 41.291 -1.591 18521 8593 1 9 . 1 1 143 143 LEU H H 143 7.858 7.858 8.082 -0.224 18521 8594 1 9 . 1 1 144 144 ILE N N 144 121.582 121.582 125.173 -3.591 18521 8595 1 9 . 1 1 144 144 ILE HA H 144 4.083 4.083 3.728 0.355 18521 8596 1 9 . 1 1 144 144 ILE C C 144 177.130 177.130 177.586 -0.456 18521 8597 1 9 . 1 1 144 144 ILE CA C 144 60.697 60.697 66.667 -5.970 18521 8598 1 9 . 1 1 144 144 ILE CB C 144 38.565 38.565 37.605 0.960 18521 8599 1 9 . 1 1 144 144 ILE H H 144 7.948 7.948 8.113 -0.165 18521 8600 1 9 . 1 1 145 145 GLU N N 145 120.974 120.974 121.173 -0.199 18521 8601 1 9 . 1 1 145 145 GLU HA H 145 4.049 4.049 4.122 -0.073 18521 8602 1 9 . 1 1 145 145 GLU C C 145 179.664 179.664 178.349 1.315 18521 8603 1 9 . 1 1 145 145 GLU CA C 145 59.673 59.673 59.694 -0.021 18521 8604 1 9 . 1 1 145 145 GLU CB C 145 29.521 29.521 29.883 -0.362 18521 8605 1 9 . 1 1 145 145 GLU H H 145 7.869 7.869 7.885 -0.016 18521 8606 1 9 . 1 1 146 146 GLN N N 146 118.520 118.520 120.703 -2.183 18521 8607 1 9 . 1 1 146 146 GLN HA H 146 4.034 4.034 4.031 0.003 18521 8608 1 9 . 1 1 146 146 GLN C C 146 178.820 178.820 178.037 0.783 18521 8609 1 9 . 1 1 146 146 GLN CA C 146 58.720 58.720 59.621 -0.901 18521 8610 1 9 . 1 1 146 146 GLN CB C 146 29.312 29.312 28.276 1.036 18521 8611 1 9 . 1 1 146 146 GLN H H 146 8.407 8.407 7.516 0.891 18521 8612 1 9 . 1 1 147 147 GLY N N 147 108.998 108.998 109.750 -0.752 18521 8613 1 9 . 1 1 147 147 GLY HA H 147 3.471 3.471 3.724 -0.254 18521 8614 1 9 . 1 1 147 147 GLY C C 147 175.794 175.794 176.578 -0.784 18521 8615 1 9 . 1 1 147 147 GLY CA C 147 47.525 47.525 48.215 -0.689 18521 8616 1 9 . 1 1 147 147 GLY CB C 147 41.801 41.801 41.312 0.489 18521 8617 1 9 . 1 1 147 147 GLY H H 147 8.059 8.059 7.670 0.389 18521 8618 1 9 . 1 1 148 148 ASP N N 148 124.022 124.022 118.634 5.388 18521 8619 1 9 . 1 1 148 148 ASP HA H 148 4.342 4.342 4.137 0.205 18521 8620 1 9 . 1 1 148 148 ASP C C 148 175.607 175.607 178.521 -2.914 18521 8621 1 9 . 1 1 148 148 ASP CA C 148 57.252 57.252 57.421 -0.169 18521 8622 1 9 . 1 1 148 148 ASP CB C 148 39.918 39.918 40.361 -0.443 18521 8623 1 9 . 1 1 148 148 ASP H H 148 8.522 8.522 8.379 0.143 18521 8624 1 9 . 1 1 149 149 GLU N N 149 121.333 121.333 120.017 1.316 18521 8625 1 9 . 1 1 149 149 GLU HA H 149 4.008 4.008 3.953 0.055 18521 8626 1 9 . 1 1 149 149 GLU C C 149 175.652 175.652 178.795 -3.143 18521 8627 1 9 . 1 1 149 149 GLU CA C 149 59.394 59.394 59.626 -0.232 18521 8628 1 9 . 1 1 149 149 GLU CB C 149 32.048 32.048 32.248 -0.200 18521 8629 1 9 . 1 1 149 149 GLU H H 149 7.768 7.768 7.972 -0.204 18521 8630 1 9 . 1 1 150 150 LEU N N 150 120.820 120.820 118.993 1.827 18521 8631 1 9 . 1 1 150 150 LEU HA H 150 3.718 3.718 3.992 -0.274 18521 8632 1 9 . 1 1 150 150 LEU C C 150 179.476 179.476 179.814 -0.338 18521 8633 1 9 . 1 1 150 150 LEU CA C 150 57.656 57.656 57.671 -0.015 18521 8634 1 9 . 1 1 150 150 LEU CB C 150 28.936 28.936 29.474 -0.538 18521 8635 1 9 . 1 1 150 150 LEU H H 150 8.113 8.113 7.309 0.804 18521 8636 1 9 . 1 1 151 151 GLN N N 151 118.698 118.698 119.947 -1.249 18521 8637 1 9 . 1 1 151 151 GLN HA H 151 3.990 3.990 3.635 0.355 18521 8638 1 9 . 1 1 151 151 GLN C C 151 178.418 178.418 177.123 1.295 18521 8639 1 9 . 1 1 151 151 GLN CA C 151 58.570 58.570 59.799 -1.229 18521 8640 1 9 . 1 1 151 151 GLN CB C 151 38.409 38.409 37.469 0.940 18521 8641 1 9 . 1 1 151 151 GLN H H 151 8.282 8.282 7.749 0.533 18521 8642 1 9 . 1 1 152 152 GLU N N 152 120.750 120.750 119.972 0.778 18521 8643 1 9 . 1 1 152 152 GLU HA H 152 4.035 4.035 3.981 0.054 18521 8644 1 9 . 1 1 152 152 GLU C C 152 178.916 178.916 178.888 0.028 18521 8645 1 9 . 1 1 152 152 GLU CA C 152 59.223 59.223 59.324 -0.101 18521 8646 1 9 . 1 1 152 152 GLU CB C 152 29.322 29.322 29.194 0.128 18521 8647 1 9 . 1 1 152 152 GLU H H 152 7.499 7.499 8.404 -0.905 18521 8648 1 9 . 1 1 153 153 VAL N N 153 120.317 120.317 120.594 -0.277 18521 8649 1 9 . 1 1 153 153 VAL HA H 153 3.695 3.695 3.809 -0.114 18521 8650 1 9 . 1 1 153 153 VAL C C 153 178.846 178.846 178.348 0.498 18521 8651 1 9 . 1 1 153 153 VAL CA C 153 65.832 65.832 66.599 -0.767 18521 8652 1 9 . 1 1 153 153 VAL CB C 153 31.921 31.921 31.797 0.124 18521 8653 1 9 . 1 1 153 153 VAL H H 153 7.763 7.763 8.326 -0.563 18521 8654 1 9 . 1 1 154 154 LEU N N 154 121.374 121.374 119.690 1.684 18521 8655 1 9 . 1 1 154 154 LEU HA H 154 3.917 3.917 3.883 0.034 18521 8656 1 9 . 1 1 154 154 LEU C C 154 178.836 178.836 178.288 0.548 18521 8657 1 9 . 1 1 154 154 LEU CA C 154 57.439 57.439 60.731 -3.292 18521 8658 1 9 . 1 1 154 154 LEU CB C 154 41.797 41.797 42.083 -0.286 18521 8659 1 9 . 1 1 154 154 LEU H H 154 7.731 7.731 8.116 -0.385 18521 8660 1 9 . 1 1 155 155 ALA N N 155 121.695 121.695 123.788 -2.093 18521 8661 1 9 . 1 1 155 155 ALA HA H 155 4.145 4.145 3.818 0.327 18521 8662 1 9 . 1 1 155 155 ALA C C 155 179.502 179.502 179.787 -0.285 18521 8663 1 9 . 1 1 155 155 ALA CA C 155 54.175 54.175 55.426 -1.251 18521 8664 1 9 . 1 1 155 155 ALA CB C 155 18.499 18.499 18.703 -0.204 18521 8665 1 9 . 1 1 155 155 ALA H H 155 7.896 7.896 7.797 0.099 18521 8666 1 9 . 1 1 156 156 MET N N 156 117.652 117.652 118.797 -1.145 18521 8667 1 9 . 1 1 156 156 MET HA H 156 4.228 4.228 3.900 0.328 18521 8668 1 9 . 1 1 156 156 MET C C 156 177.366 177.366 178.222 -0.856 18521 8669 1 9 . 1 1 156 156 MET CA C 156 57.306 57.306 59.200 -1.894 18521 8670 1 9 . 1 1 156 156 MET CB C 156 32.373 32.373 32.572 -0.199 18521 8671 1 9 . 1 1 156 156 MET H H 156 7.778 7.778 8.256 -0.478 18521 8672 1 9 . 1 1 157 157 ASN N N 157 117.853 117.853 117.546 0.307 18521 8673 1 9 . 1 1 157 157 ASN HA H 157 4.588 4.588 4.195 0.393 18521 8674 1 9 . 1 1 157 157 ASN C C 157 175.211 175.211 177.517 -2.306 18521 8675 1 9 . 1 1 157 157 ASN CA C 157 54.068 54.068 57.302 -3.234 18521 8676 1 9 . 1 1 157 157 ASN CB C 157 39.125 39.125 38.314 0.811 18521 8677 1 9 . 1 1 157 157 ASN H H 157 8.009 8.009 8.243 -0.234 18521 8678 1 9 . 1 1 158 158 ASN N N 158 117.684 117.684 116.869 0.815 18521 8679 1 9 . 1 1 158 158 ASN HA H 158 4.612 4.612 4.321 0.291 18521 8680 1 9 . 1 1 158 158 ASN C C 158 174.669 174.669 177.221 -2.552 18521 8681 1 9 . 1 1 158 158 ASN CA C 158 53.554 53.554 55.983 -2.429 18521 8682 1 9 . 1 1 158 158 ASN CB C 158 39.343 39.343 37.958 1.385 18521 8683 1 9 . 1 1 158 158 ASN H H 158 7.951 7.951 8.696 -0.745 18521 8684 1 9 . 1 1 159 159 ASN N N 159 119.399 119.399 116.425 2.974 18521 8685 1 9 . 1 1 159 159 ASN HA H 159 4.583 4.583 4.354 0.229 18521 8686 1 9 . 1 1 159 159 ASN C C 159 175.563 175.563 177.376 -1.813 18521 8687 1 9 . 1 1 159 159 ASN CA C 159 53.901 53.901 56.444 -2.543 18521 8688 1 9 . 1 1 159 159 ASN CB C 159 38.425 38.425 37.920 0.505 18521 8689 1 9 . 1 1 159 159 ASN H H 159 8.319 8.319 7.507 0.812 18521 8690 1 9 . 1 1 160 160 SER N N 160 115.453 115.453 116.931 -1.478 18521 8691 1 9 . 1 1 160 160 SER HA H 160 4.324 4.324 4.023 0.301 18521 8692 1 9 . 1 1 160 160 SER C C 160 174.952 174.952 177.005 -2.053 18521 8693 1 9 . 1 1 160 160 SER CA C 160 58.851 58.851 61.164 -2.313 18521 8694 1 9 . 1 1 160 160 SER CB C 160 63.704 63.704 62.864 0.841 18521 8695 1 9 . 1 1 160 160 SER H H 160 8.297 8.297 7.331 0.966 18521 8696 1 9 . 1 1 161 161 GLY N N 161 110.851 110.851 106.144 4.707 18521 8697 1 9 . 1 1 161 161 GLY HA H 161 4.146 4.146 4.026 0.120 18521 8698 1 9 . 1 1 161 161 GLY C C 161 173.974 173.974 176.883 -2.909 18521 8699 1 9 . 1 1 161 161 GLY CA C 161 45.348 45.348 47.842 -2.494 18521 8700 1 9 . 1 1 161 161 GLY CB C 161 42.245 42.245 41.920 0.325 18521 8701 1 9 . 1 1 161 161 GLY H H 161 8.328 8.328 7.960 0.368 18521 8702 1 9 . 1 1 162 162 GLU N N 162 120.859 120.859 116.684 4.175 18521 8703 1 9 . 1 1 162 162 GLU HA H 162 4.211 4.211 4.197 0.014 18521 8704 1 9 . 1 1 162 162 GLU C C 162 177.522 177.522 177.649 -0.127 18521 8705 1 9 . 1 1 162 162 GLU CA C 162 56.065 56.065 58.772 -2.707 18521 8706 1 9 . 1 1 162 162 GLU CB C 162 29.852 29.852 29.002 0.850 18521 8707 1 9 . 1 1 162 162 GLU H H 162 8.244 8.244 7.719 0.525 18521 8708 1 9 . 1 1 163 163 LEU N N 163 124.226 124.226 118.051 6.175 18521 8709 1 9 . 1 1 163 163 LEU HA H 163 3.889 3.889 4.285 -0.396 18521 8710 1 9 . 1 1 163 163 LEU C C 163 178.043 178.043 176.984 1.059 18521 8711 1 9 . 1 1 163 163 LEU CA C 163 57.163 57.163 54.674 2.489 18521 8712 1 9 . 1 1 163 163 LEU CB C 163 41.840 41.840 42.245 -0.405 18521 8713 1 9 . 1 1 163 163 LEU H H 163 8.337 8.337 7.725 0.612 18521 8714 1 9 . 1 1 164 164 ASP N N 164 116.994 116.994 119.216 -2.222 18521 8715 1 9 . 1 1 164 164 ASP HA H 164 4.327 4.327 4.276 0.051 18521 8716 1 9 . 1 1 164 164 ASP C C 164 176.423 176.423 176.821 -0.398 18521 8717 1 9 . 1 1 164 164 ASP CA C 164 55.427 55.427 54.723 0.704 18521 8718 1 9 . 1 1 164 164 ASP H H 164 8.188 8.188 7.788 0.400 18521 8719 1 9 . 1 1 165 165 ASP N N 165 118.967 118.967 118.470 0.497 18521 8720 1 9 . 1 1 165 165 ASP HA H 165 4.443 4.443 4.504 -0.061 18521 8721 1 9 . 1 1 165 165 ASP C C 165 175.654 175.654 176.298 -0.644 18521 8722 1 9 . 1 1 165 165 ASP CA C 165 54.707 54.707 55.034 -0.327 18521 8723 1 9 . 1 1 165 165 ASP CB C 165 40.973 40.973 41.171 -0.198 18521 8724 1 9 . 1 1 165 165 ASP H H 165 7.701 7.701 7.836 -0.135 18521 8725 1 9 . 1 1 166 166 ILE N N 166 122.002 122.002 119.911 2.091 18521 8726 1 9 . 1 1 166 166 ILE HA H 166 4.049 4.049 3.962 0.087 18521 8727 1 9 . 1 1 166 166 ILE C C 166 175.180 175.180 175.200 -0.020 18521 8728 1 9 . 1 1 166 166 ILE CA C 166 60.396 60.396 59.841 0.555 18521 8729 1 9 . 1 1 166 166 ILE CB C 166 39.185 39.185 37.230 1.955 18521 8730 1 9 . 1 1 166 166 ILE H H 166 7.388 7.388 7.358 0.030 18521 8731 1 10 . 1 1 2 2 ALA N N 2 122.445 122.445 123.304 -0.859 18521 8732 1 10 . 1 1 2 2 ALA HA H 2 4.045 4.045 4.037 0.008 18521 8733 1 10 . 1 1 2 2 ALA C C 2 179.992 179.992 179.244 0.748 18521 8734 1 10 . 1 1 2 2 ALA CA C 2 55.140 55.140 54.695 0.445 18521 8735 1 10 . 1 1 2 2 ALA CB C 2 18.482 18.482 18.049 0.433 18521 8736 1 10 . 1 1 2 2 ALA H H 2 8.545 8.545 8.489 0.056 18521 8737 1 10 . 1 1 3 3 SER N N 3 115.544 115.544 112.977 2.567 18521 8738 1 10 . 1 1 3 3 SER HA H 3 4.030 4.030 4.148 -0.118 18521 8739 1 10 . 1 1 3 3 SER C C 3 176.584 176.584 176.610 -0.026 18521 8740 1 10 . 1 1 3 3 SER CA C 3 60.748 60.748 60.915 -0.167 18521 8741 1 10 . 1 1 3 3 SER CB C 3 62.416 62.416 62.774 -0.358 18521 8742 1 10 . 1 1 3 3 SER H H 3 8.009 8.009 8.371 -0.362 18521 8743 1 10 . 1 1 4 4 ASN N N 4 123.103 123.103 119.771 3.332 18521 8744 1 10 . 1 1 4 4 ASN HA H 4 4.318 4.318 4.488 -0.170 18521 8745 1 10 . 1 1 4 4 ASN C C 4 176.215 176.215 176.959 -0.744 18521 8746 1 10 . 1 1 4 4 ASN CA C 4 55.580 55.580 55.755 -0.175 18521 8747 1 10 . 1 1 4 4 ASN CB C 4 38.154 38.154 38.099 0.055 18521 8748 1 10 . 1 1 4 4 ASN H H 4 7.965 7.965 7.700 0.265 18521 8749 1 10 . 1 1 5 5 ALA N N 5 122.314 122.314 121.616 0.698 18521 8750 1 10 . 1 1 5 5 ALA HA H 5 3.560 3.560 3.920 -0.360 18521 8751 1 10 . 1 1 5 5 ALA C C 5 178.543 178.543 178.883 -0.340 18521 8752 1 10 . 1 1 5 5 ALA CA C 5 55.774 55.774 55.305 0.469 18521 8753 1 10 . 1 1 5 5 ALA CB C 5 17.638 17.638 18.120 -0.482 18521 8754 1 10 . 1 1 5 5 ALA H H 5 8.721 8.721 7.507 1.214 18521 8755 1 10 . 1 1 6 6 ALA N N 6 117.886 117.886 121.463 -3.577 18521 8756 1 10 . 1 1 6 6 ALA HA H 6 3.784 3.784 4.044 -0.260 18521 8757 1 10 . 1 1 6 6 ALA C C 6 180.378 180.378 179.585 0.793 18521 8758 1 10 . 1 1 6 6 ALA CA C 6 55.240 55.240 54.943 0.297 18521 8759 1 10 . 1 1 6 6 ALA CB C 6 17.890 17.890 17.994 -0.103 18521 8760 1 10 . 1 1 6 6 ALA H H 6 7.891 7.891 7.409 0.482 18521 8761 1 10 . 1 1 7 7 ARG N N 7 120.992 120.992 119.341 1.651 18521 8762 1 10 . 1 1 7 7 ARG HA H 7 3.770 3.770 4.038 -0.268 18521 8763 1 10 . 1 1 7 7 ARG C C 7 179.531 179.531 178.564 0.967 18521 8764 1 10 . 1 1 7 7 ARG CA C 7 59.249 59.249 59.450 -0.201 18521 8765 1 10 . 1 1 7 7 ARG CB C 7 29.546 29.546 30.384 -0.838 18521 8766 1 10 . 1 1 7 7 ARG H H 7 7.503 7.503 7.771 -0.268 18521 8767 1 10 . 1 1 8 8 VAL N N 8 123.707 123.707 119.485 4.222 18521 8768 1 10 . 1 1 8 8 VAL HA H 8 3.285 3.285 3.820 -0.535 18521 8769 1 10 . 1 1 8 8 VAL C C 8 177.740 177.740 178.264 -0.524 18521 8770 1 10 . 1 1 8 8 VAL CA C 8 67.839 67.839 66.156 1.683 18521 8771 1 10 . 1 1 8 8 VAL CB C 8 31.516 31.516 31.244 0.272 18521 8772 1 10 . 1 1 8 8 VAL H H 8 8.176 8.176 7.990 0.186 18521 8773 1 10 . 1 1 9 9 VAL N N 9 119.893 119.893 120.529 -0.636 18521 8774 1 10 . 1 1 9 9 VAL HA H 9 3.286 3.286 3.496 -0.210 18521 8775 1 10 . 1 1 9 9 VAL C C 9 177.535 177.535 177.945 -0.410 18521 8776 1 10 . 1 1 9 9 VAL CA C 9 67.549 67.549 67.338 0.211 18521 8777 1 10 . 1 1 9 9 VAL CB C 9 31.683 31.683 31.262 0.421 18521 8778 1 10 . 1 1 9 9 VAL H H 9 8.329 8.329 7.704 0.625 18521 8779 1 10 . 1 1 10 10 ALA N N 10 122.541 122.541 121.318 1.223 18521 8780 1 10 . 1 1 10 10 ALA HA H 10 3.971 3.971 4.056 -0.085 18521 8781 1 10 . 1 1 10 10 ALA C C 10 177.093 177.093 179.718 -2.625 18521 8782 1 10 . 1 1 10 10 ALA CA C 10 55.448 55.448 55.428 0.020 18521 8783 1 10 . 1 1 10 10 ALA CB C 10 17.791 17.791 18.306 -0.515 18521 8784 1 10 . 1 1 10 10 ALA H H 10 7.802 7.802 8.116 -0.314 18521 8785 1 10 . 1 1 11 11 THR N N 11 116.946 116.946 115.313 1.633 18521 8786 1 10 . 1 1 11 11 THR HA H 11 3.821 3.821 3.942 -0.121 18521 8787 1 10 . 1 1 11 11 THR C C 11 175.702 175.702 176.620 -0.918 18521 8788 1 10 . 1 1 11 11 THR CA C 11 66.531 66.531 67.163 -0.632 18521 8789 1 10 . 1 1 11 11 THR CB C 11 68.493 68.493 68.947 -0.454 18521 8790 1 10 . 1 1 11 11 THR H H 11 8.187 8.187 8.536 -0.349 18521 8791 1 10 . 1 1 12 12 ALA N N 12 125.357 125.357 124.384 0.973 18521 8792 1 10 . 1 1 12 12 ALA HA H 12 4.003 4.003 4.080 -0.077 18521 8793 1 10 . 1 1 12 12 ALA C C 12 179.401 179.401 179.358 0.043 18521 8794 1 10 . 1 1 12 12 ALA CA C 12 56.083 56.083 55.398 0.685 18521 8795 1 10 . 1 1 12 12 ALA CB C 12 18.855 18.855 18.234 0.621 18521 8796 1 10 . 1 1 12 12 ALA H H 12 8.641 8.641 8.534 0.107 18521 8797 1 10 . 1 1 13 13 LYS N N 13 117.246 117.246 117.474 -0.228 18521 8798 1 10 . 1 1 13 13 LYS HA H 13 3.964 3.964 4.009 -0.045 18521 8799 1 10 . 1 1 13 13 LYS C C 13 180.132 180.132 178.376 1.756 18521 8800 1 10 . 1 1 13 13 LYS CA C 13 58.991 58.991 59.585 -0.594 18521 8801 1 10 . 1 1 13 13 LYS CB C 13 32.014 32.014 32.051 -0.037 18521 8802 1 10 . 1 1 13 13 LYS H H 13 7.961 7.961 7.653 0.308 18521 8803 1 10 . 1 1 14 14 ASP N N 14 122.162 122.162 119.722 2.440 18521 8804 1 10 . 1 1 14 14 ASP HA H 14 4.355 4.355 4.394 -0.039 18521 8805 1 10 . 1 1 14 14 ASP C C 14 179.394 179.394 178.313 1.081 18521 8806 1 10 . 1 1 14 14 ASP CA C 14 57.524 57.524 56.885 0.639 18521 8807 1 10 . 1 1 14 14 ASP CB C 14 39.984 39.984 40.345 -0.361 18521 8808 1 10 . 1 1 14 14 ASP H H 14 7.702 7.702 7.639 0.063 18521 8809 1 10 . 1 1 15 15 PHE N N 15 119.552 119.552 117.809 1.743 18521 8810 1 10 . 1 1 15 15 PHE HA H 15 4.307 4.307 4.224 0.083 18521 8811 1 10 . 1 1 15 15 PHE C C 15 178.383 178.383 177.882 0.501 18521 8812 1 10 . 1 1 15 15 PHE CA C 15 62.313 62.313 61.405 0.908 18521 8813 1 10 . 1 1 15 15 PHE CB C 15 37.340 37.340 38.844 -1.504 18521 8814 1 10 . 1 1 15 15 PHE H H 15 7.970 7.970 7.493 0.477 18521 8815 1 10 . 1 1 16 16 ASP N N 16 121.464 121.464 119.486 1.978 18521 8816 1 10 . 1 1 16 16 ASP HA H 16 4.016 4.016 4.509 -0.493 18521 8817 1 10 . 1 1 16 16 ASP C C 16 179.923 179.923 179.235 0.688 18521 8818 1 10 . 1 1 16 16 ASP CA C 16 58.030 58.030 57.197 0.833 18521 8819 1 10 . 1 1 16 16 ASP CB C 16 41.407 41.407 40.639 0.768 18521 8820 1 10 . 1 1 16 16 ASP H H 16 8.259 8.259 7.803 0.456 18521 8821 1 10 . 1 1 17 17 LYS N N 17 118.806 118.806 120.157 -1.351 18521 8822 1 10 . 1 1 17 17 LYS HA H 17 4.047 4.047 4.125 -0.078 18521 8823 1 10 . 1 1 17 17 LYS C C 17 178.432 178.432 177.837 0.595 18521 8824 1 10 . 1 1 17 17 LYS CA C 17 59.018 59.018 59.086 -0.068 18521 8825 1 10 . 1 1 17 17 LYS CB C 17 32.592 32.592 32.632 -0.040 18521 8826 1 10 . 1 1 17 17 LYS H H 17 7.842 7.842 7.607 0.235 18521 8827 1 10 . 1 1 18 18 VAL N N 18 110.416 110.416 117.368 -6.952 18521 8828 1 10 . 1 1 18 18 VAL HA H 18 4.523 4.523 4.092 0.431 18521 8829 1 10 . 1 1 18 18 VAL C C 18 176.089 176.089 175.598 0.491 18521 8830 1 10 . 1 1 18 18 VAL CA C 18 60.797 60.797 62.609 -1.812 18521 8831 1 10 . 1 1 18 18 VAL CB C 18 31.194 31.194 32.248 -1.054 18521 8832 1 10 . 1 1 18 18 VAL H H 18 7.198 7.198 7.369 -0.171 18521 8833 1 10 . 1 1 19 19 GLY N N 19 109.008 109.008 107.723 1.285 18521 8834 1 10 . 1 1 19 19 GLY C C 19 175.070 175.070 174.761 0.309 18521 8835 1 10 . 1 1 19 19 GLY CA C 19 45.842 45.842 45.596 0.246 18521 8836 1 10 . 1 1 19 19 GLY H H 19 7.731 7.731 7.628 0.103 18521 8837 1 10 . 1 1 20 20 LEU N N 20 125.244 125.244 121.990 3.254 18521 8838 1 10 . 1 1 20 20 LEU HA H 20 4.938 4.938 4.656 0.282 18521 8839 1 10 . 1 1 20 20 LEU C C 20 177.890 177.890 177.567 0.323 18521 8840 1 10 . 1 1 20 20 LEU CA C 20 52.674 52.674 53.535 -0.861 18521 8841 1 10 . 1 1 20 20 LEU CB C 20 40.239 40.239 41.102 -0.863 18521 8842 1 10 . 1 1 20 20 LEU H H 20 8.102 8.102 8.362 -0.260 18521 8843 1 10 . 1 1 21 21 GLY N N 21 108.031 108.031 109.907 -1.876 18521 8844 1 10 . 1 1 21 21 GLY C C 21 176.174 176.174 176.141 0.033 18521 8845 1 10 . 1 1 21 21 GLY CA C 21 47.352 47.352 47.377 -0.025 18521 8846 1 10 . 1 1 21 21 GLY H H 21 8.046 8.046 8.824 -0.778 18521 8847 1 10 . 1 1 22 22 ILE N N 22 121.173 121.173 122.333 -1.160 18521 8848 1 10 . 1 1 22 22 ILE HA H 22 3.944 3.944 3.865 0.079 18521 8849 1 10 . 1 1 22 22 ILE C C 22 176.119 176.119 177.839 -1.720 18521 8850 1 10 . 1 1 22 22 ILE CA C 22 61.179 61.179 64.395 -3.216 18521 8851 1 10 . 1 1 22 22 ILE CB C 22 35.934 35.934 37.376 -1.442 18521 8852 1 10 . 1 1 22 22 ILE H H 22 8.395 8.395 7.943 0.452 18521 8853 1 10 . 1 1 23 23 ILE N N 23 120.647 120.647 119.682 0.965 18521 8854 1 10 . 1 1 23 23 ILE HA H 23 3.713 3.713 3.835 -0.122 18521 8855 1 10 . 1 1 23 23 ILE C C 23 178.458 178.458 178.680 -0.222 18521 8856 1 10 . 1 1 23 23 ILE CA C 23 64.266 64.266 62.267 2.000 18521 8857 1 10 . 1 1 23 23 ILE CB C 23 36.272 36.272 35.958 0.314 18521 8858 1 10 . 1 1 23 23 ILE H H 23 6.824 6.824 8.035 -1.211 18521 8859 1 10 . 1 1 24 24 GLY N N 24 103.326 103.326 108.088 -4.762 18521 8860 1 10 . 1 1 24 24 GLY C C 24 174.914 174.914 175.618 -0.704 18521 8861 1 10 . 1 1 24 24 GLY CA C 24 47.998 47.998 47.109 0.889 18521 8862 1 10 . 1 1 24 24 GLY H H 24 7.412 7.412 7.683 -0.271 18521 8863 1 10 . 1 1 25 25 TYR N N 25 124.188 124.188 124.021 0.167 18521 8864 1 10 . 1 1 25 25 TYR HA H 25 3.734 3.734 3.736 -0.002 18521 8865 1 10 . 1 1 25 25 TYR C C 25 176.055 176.055 177.144 -1.089 18521 8866 1 10 . 1 1 25 25 TYR CA C 25 60.962 60.962 60.686 0.276 18521 8867 1 10 . 1 1 25 25 TYR CB C 25 37.888 37.888 37.636 0.252 18521 8868 1 10 . 1 1 25 25 TYR H H 25 7.861 7.861 8.200 -0.339 18521 8869 1 10 . 1 1 26 26 TYR N N 26 117.390 117.390 117.255 0.135 18521 8870 1 10 . 1 1 26 26 TYR HA H 26 3.881 3.881 3.922 -0.041 18521 8871 1 10 . 1 1 26 26 TYR C C 26 178.653 178.653 177.995 0.658 18521 8872 1 10 . 1 1 26 26 TYR CA C 26 64.270 64.270 62.378 1.892 18521 8873 1 10 . 1 1 26 26 TYR CB C 26 37.453 37.453 38.161 -0.708 18521 8874 1 10 . 1 1 26 26 TYR H H 26 7.594 7.594 7.510 0.084 18521 8875 1 10 . 1 1 27 27 LEU N N 27 118.536 118.536 119.618 -1.082 18521 8876 1 10 . 1 1 27 27 LEU HA H 27 4.277 4.277 3.758 0.519 18521 8877 1 10 . 1 1 27 27 LEU C C 27 179.025 179.025 178.903 0.122 18521 8878 1 10 . 1 1 27 27 LEU CA C 27 58.382 58.382 58.154 0.229 18521 8879 1 10 . 1 1 27 27 LEU CB C 27 42.595 42.595 41.068 1.527 18521 8880 1 10 . 1 1 27 27 LEU H H 27 8.226 8.226 7.882 0.344 18521 8881 1 10 . 1 1 28 28 GLN N N 28 119.110 119.110 118.121 0.989 18521 8882 1 10 . 1 1 28 28 GLN HA H 28 3.665 3.665 3.832 -0.167 18521 8883 1 10 . 1 1 28 28 GLN C C 28 177.406 177.406 178.384 -0.978 18521 8884 1 10 . 1 1 28 28 GLN CA C 28 60.626 60.626 59.039 1.587 18521 8885 1 10 . 1 1 28 28 GLN CB C 28 28.959 28.959 28.551 0.408 18521 8886 1 10 . 1 1 28 28 GLN H H 28 8.007 8.007 8.427 -0.420 18521 8887 1 10 . 1 1 29 29 LEU N N 29 121.623 121.623 120.706 0.917 18521 8888 1 10 . 1 1 29 29 LEU HA H 29 3.718 3.718 3.856 -0.138 18521 8889 1 10 . 1 1 29 29 LEU C C 29 179.706 179.706 178.014 1.692 18521 8890 1 10 . 1 1 29 29 LEU CA C 29 58.382 58.382 57.469 0.913 18521 8891 1 10 . 1 1 29 29 LEU CB C 29 42.114 42.114 41.443 0.671 18521 8892 1 10 . 1 1 29 29 LEU H H 29 7.938 7.938 7.360 0.578 18521 8893 1 10 . 1 1 30 30 TYR N N 30 120.084 120.084 120.390 -0.306 18521 8894 1 10 . 1 1 30 30 TYR HA H 30 4.132 4.132 3.861 0.271 18521 8895 1 10 . 1 1 30 30 TYR C C 30 175.611 175.611 176.971 -1.360 18521 8896 1 10 . 1 1 30 30 TYR CA C 30 58.951 58.951 60.734 -1.784 18521 8897 1 10 . 1 1 30 30 TYR CB C 30 39.302 39.302 37.979 1.323 18521 8898 1 10 . 1 1 30 30 TYR H H 30 7.974 7.974 7.976 -0.002 18521 8899 1 10 . 1 1 31 31 ALA N N 31 121.802 121.802 121.257 0.545 18521 8900 1 10 . 1 1 31 31 ALA HA H 31 3.343 3.343 3.634 -0.291 18521 8901 1 10 . 1 1 31 31 ALA C C 31 178.911 178.911 179.233 -0.322 18521 8902 1 10 . 1 1 31 31 ALA CA C 31 55.429 55.429 54.825 0.604 18521 8903 1 10 . 1 1 31 31 ALA CB C 31 17.895 17.895 17.892 0.003 18521 8904 1 10 . 1 1 31 31 ALA H H 31 8.504 8.504 8.246 0.258 18521 8905 1 10 . 1 1 32 32 VAL N N 32 116.528 116.528 118.781 -2.253 18521 8906 1 10 . 1 1 32 32 VAL HA H 32 3.249 3.249 3.353 -0.104 18521 8907 1 10 . 1 1 32 32 VAL C C 32 176.963 176.963 177.743 -0.780 18521 8908 1 10 . 1 1 32 32 VAL CA C 32 67.723 67.723 67.109 0.614 18521 8909 1 10 . 1 1 32 32 VAL CB C 32 31.403 31.403 31.615 -0.212 18521 8910 1 10 . 1 1 32 32 VAL H H 32 8.027 8.027 7.713 0.314 18521 8911 1 10 . 1 1 33 33 GLU N N 33 118.609 118.609 118.704 -0.095 18521 8912 1 10 . 1 1 33 33 GLU HA H 33 3.804 3.804 4.019 -0.215 18521 8913 1 10 . 1 1 33 33 GLU C C 33 180.234 180.234 179.137 1.097 18521 8914 1 10 . 1 1 33 33 GLU CA C 33 59.446 59.446 58.910 0.536 18521 8915 1 10 . 1 1 33 33 GLU CB C 33 28.711 28.711 29.170 -0.459 18521 8916 1 10 . 1 1 33 33 GLU H H 33 7.299 7.299 7.449 -0.150 18521 8917 1 10 . 1 1 34 34 LEU N N 34 120.831 120.831 120.461 0.370 18521 8918 1 10 . 1 1 34 34 LEU HA H 34 3.702 3.702 3.903 -0.201 18521 8919 1 10 . 1 1 34 34 LEU C C 34 180.024 180.024 178.556 1.468 18521 8920 1 10 . 1 1 34 34 LEU CA C 34 57.815 57.815 58.023 -0.208 18521 8921 1 10 . 1 1 34 34 LEU CB C 34 42.097 42.097 41.455 0.642 18521 8922 1 10 . 1 1 34 34 LEU H H 34 8.168 8.168 7.126 1.042 18521 8923 1 10 . 1 1 35 35 ILE N N 35 120.733 120.733 117.645 3.088 18521 8924 1 10 . 1 1 35 35 ILE HA H 35 3.589 3.589 3.650 -0.061 18521 8925 1 10 . 1 1 35 35 ILE C C 35 178.501 178.501 179.035 -0.534 18521 8926 1 10 . 1 1 35 35 ILE CA C 35 65.363 65.363 64.804 0.559 18521 8927 1 10 . 1 1 35 35 ILE CB C 35 38.960 38.960 38.192 0.768 18521 8928 1 10 . 1 1 35 35 ILE H H 35 8.064 8.064 7.379 0.685 18521 8929 1 10 . 1 1 36 36 LEU N N 36 115.519 115.519 119.317 -3.798 18521 8930 1 10 . 1 1 36 36 LEU HA H 36 3.958 3.958 3.991 -0.033 18521 8931 1 10 . 1 1 36 36 LEU C C 36 178.244 178.244 178.076 0.168 18521 8932 1 10 . 1 1 36 36 LEU CA C 36 56.069 56.069 57.440 -1.371 18521 8933 1 10 . 1 1 36 36 LEU CB C 36 40.528 40.528 41.791 -1.262 18521 8934 1 10 . 1 1 36 36 LEU H H 36 8.370 8.370 7.810 0.560 18521 8935 1 10 . 1 1 37 37 SER N N 37 113.976 113.976 110.607 3.369 18521 8936 1 10 . 1 1 37 37 SER HA H 37 4.197 4.197 4.350 -0.153 18521 8937 1 10 . 1 1 37 37 SER C C 37 173.934 173.934 173.806 0.128 18521 8938 1 10 . 1 1 37 37 SER CA C 37 60.204 60.204 59.062 1.142 18521 8939 1 10 . 1 1 37 37 SER CB C 37 63.507 63.507 63.652 -0.145 18521 8940 1 10 . 1 1 37 37 SER H H 37 7.523 7.523 7.934 -0.411 18521 8941 1 10 . 1 1 38 38 GLU N N 38 123.219 123.219 121.817 1.402 18521 8942 1 10 . 1 1 38 38 GLU HA H 38 4.426 4.426 4.401 0.025 18521 8943 1 10 . 1 1 38 38 GLU C C 38 175.767 175.767 175.928 -0.161 18521 8944 1 10 . 1 1 38 38 GLU CA C 38 55.046 55.046 55.523 -0.477 18521 8945 1 10 . 1 1 38 38 GLU CB C 38 30.395 30.395 30.990 -0.595 18521 8946 1 10 . 1 1 38 38 GLU H H 38 7.185 7.185 7.507 -0.322 18521 8947 1 10 . 1 1 39 39 GLU N N 39 126.955 126.955 125.741 1.214 18521 8948 1 10 . 1 1 39 39 GLU HA H 39 3.985 3.985 4.081 -0.096 18521 8949 1 10 . 1 1 39 39 GLU C C 39 176.861 176.861 175.908 0.953 18521 8950 1 10 . 1 1 39 39 GLU CA C 39 58.331 58.331 58.292 0.039 18521 8951 1 10 . 1 1 39 39 GLU CB C 39 30.008 30.008 29.937 0.071 18521 8952 1 10 . 1 1 39 39 GLU H H 39 8.632 8.632 8.875 -0.243 18521 8953 1 10 . 1 1 40 40 ASP N N 40 119.763 119.763 119.888 -0.125 18521 8954 1 10 . 1 1 40 40 ASP HA H 40 4.616 4.616 4.759 -0.143 18521 8955 1 10 . 1 1 40 40 ASP C C 40 174.989 174.989 175.323 -0.334 18521 8956 1 10 . 1 1 40 40 ASP CA C 40 53.281 53.281 53.994 -0.713 18521 8957 1 10 . 1 1 40 40 ASP CB C 40 39.814 39.814 40.834 -1.020 18521 8958 1 10 . 1 1 40 40 ASP H H 40 8.560 8.560 8.107 0.453 18521 8959 1 10 . 1 1 41 41 ARG N N 41 119.595 119.595 122.089 -2.494 18521 8960 1 10 . 1 1 41 41 ARG HA H 41 4.390 4.390 4.539 -0.149 18521 8961 1 10 . 1 1 41 41 ARG C C 41 175.553 175.553 174.567 0.986 18521 8962 1 10 . 1 1 41 41 ARG CA C 41 54.707 54.707 55.213 -0.506 18521 8963 1 10 . 1 1 41 41 ARG CB C 41 31.865 31.865 33.943 -2.078 18521 8964 1 10 . 1 1 41 41 ARG H H 41 7.443 7.443 8.492 -1.049 18521 8965 1 10 . 1 1 42 42 SER N N 42 119.463 119.463 118.205 1.258 18521 8966 1 10 . 1 1 42 42 SER HA H 42 4.381 4.381 4.787 -0.406 18521 8967 1 10 . 1 1 42 42 SER C C 42 175.361 175.361 175.057 0.304 18521 8968 1 10 . 1 1 42 42 SER CA C 42 57.137 57.137 56.151 0.986 18521 8969 1 10 . 1 1 42 42 SER CB C 42 65.166 65.166 65.090 0.076 18521 8970 1 10 . 1 1 42 42 SER H H 42 8.556 8.556 8.398 0.158 18521 8971 1 10 . 1 1 43 43 GLN N N 43 122.535 122.535 122.370 0.165 18521 8972 1 10 . 1 1 43 43 GLN HA H 43 4.018 4.018 3.964 0.054 18521 8973 1 10 . 1 1 43 43 GLN C C 43 178.768 178.768 178.213 0.555 18521 8974 1 10 . 1 1 43 43 GLN CA C 43 59.073 59.073 59.630 -0.556 18521 8975 1 10 . 1 1 43 43 GLN CB C 43 27.871 27.871 28.606 -0.735 18521 8976 1 10 . 1 1 43 43 GLN H H 43 9.087 9.087 8.952 0.135 18521 8977 1 10 . 1 1 44 44 GLU N N 44 120.308 120.308 119.729 0.579 18521 8978 1 10 . 1 1 44 44 GLU HA H 44 3.982 3.982 4.195 -0.213 18521 8979 1 10 . 1 1 44 44 GLU C C 44 179.737 179.737 178.872 0.865 18521 8980 1 10 . 1 1 44 44 GLU CA C 44 60.142 60.142 59.041 1.101 18521 8981 1 10 . 1 1 44 44 GLU CB C 44 28.801 28.801 28.929 -0.128 18521 8982 1 10 . 1 1 44 44 GLU H H 44 8.958 8.958 8.834 0.124 18521 8983 1 10 . 1 1 45 45 MET N N 45 120.968 120.968 118.132 2.836 18521 8984 1 10 . 1 1 45 45 MET HA H 45 4.432 4.432 4.258 0.174 18521 8985 1 10 . 1 1 45 45 MET C C 45 178.153 178.153 178.662 -0.509 18521 8986 1 10 . 1 1 45 45 MET CA C 45 57.117 57.117 58.941 -1.824 18521 8987 1 10 . 1 1 45 45 MET CB C 45 32.517 32.517 32.470 0.047 18521 8988 1 10 . 1 1 45 45 MET H H 45 7.740 7.740 7.989 -0.249 18521 8989 1 10 . 1 1 46 46 THR N N 46 120.159 120.159 116.499 3.660 18521 8990 1 10 . 1 1 46 46 THR HA H 46 3.620 3.620 3.924 -0.304 18521 8991 1 10 . 1 1 46 46 THR C C 46 176.389 176.389 176.147 0.242 18521 8992 1 10 . 1 1 46 46 THR CA C 46 67.416 67.416 67.432 -0.016 18521 8993 1 10 . 1 1 46 46 THR CB C 46 68.208 68.208 68.429 -0.221 18521 8994 1 10 . 1 1 46 46 THR H H 46 8.190 8.190 8.647 -0.457 18521 8995 1 10 . 1 1 47 47 ALA N N 47 124.729 124.729 123.680 1.049 18521 8996 1 10 . 1 1 47 47 ALA HA H 47 4.060 4.060 4.142 -0.082 18521 8997 1 10 . 1 1 47 47 ALA C C 47 179.554 179.554 179.020 0.534 18521 8998 1 10 . 1 1 47 47 ALA CA C 47 55.195 55.195 54.750 0.445 18521 8999 1 10 . 1 1 47 47 ALA CB C 47 17.654 17.654 18.313 -0.659 18521 9000 1 10 . 1 1 47 47 ALA H H 47 8.292 8.292 7.800 0.492 18521 9001 1 10 . 1 1 48 48 LEU N N 48 122.244 122.244 120.904 1.340 18521 9002 1 10 . 1 1 48 48 LEU HA H 48 4.195 4.195 4.066 0.129 18521 9003 1 10 . 1 1 48 48 LEU C C 48 178.022 178.022 178.488 -0.466 18521 9004 1 10 . 1 1 48 48 LEU CA C 48 57.695 57.695 57.477 0.218 18521 9005 1 10 . 1 1 48 48 LEU CB C 48 41.236 41.236 41.684 -0.448 18521 9006 1 10 . 1 1 48 48 LEU H H 48 7.723 7.723 7.782 -0.059 18521 9007 1 10 . 1 1 49 49 ALA N N 49 120.883 120.883 120.252 0.631 18521 9008 1 10 . 1 1 49 49 ALA HA H 49 3.854 3.854 3.906 -0.052 18521 9009 1 10 . 1 1 49 49 ALA C C 49 178.770 178.770 179.370 -0.600 18521 9010 1 10 . 1 1 49 49 ALA CA C 49 55.836 55.836 55.155 0.681 18521 9011 1 10 . 1 1 49 49 ALA CB C 49 17.137 17.137 18.152 -1.015 18521 9012 1 10 . 1 1 49 49 ALA H H 49 8.210 8.210 8.026 0.184 18521 9013 1 10 . 1 1 50 50 THR N N 50 113.676 113.676 115.109 -1.433 18521 9014 1 10 . 1 1 50 50 THR HA H 50 3.765 3.765 3.875 -0.110 18521 9015 1 10 . 1 1 50 50 THR C C 50 175.836 175.836 176.346 -0.510 18521 9016 1 10 . 1 1 50 50 THR CA C 50 66.975 66.975 67.443 -0.468 18521 9017 1 10 . 1 1 50 50 THR CB C 50 68.976 68.976 68.562 0.414 18521 9018 1 10 . 1 1 50 50 THR H H 50 7.891 7.891 7.543 0.348 18521 9019 1 10 . 1 1 51 51 GLU N N 51 123.445 123.445 121.862 1.583 18521 9020 1 10 . 1 1 51 51 GLU HA H 51 4.221 4.221 4.021 0.200 18521 9021 1 10 . 1 1 51 51 GLU C C 51 179.906 179.906 178.848 1.058 18521 9022 1 10 . 1 1 51 51 GLU CA C 51 59.436 59.436 59.442 -0.006 18521 9023 1 10 . 1 1 51 51 GLU CB C 51 29.498 29.498 29.552 -0.054 18521 9024 1 10 . 1 1 51 51 GLU H H 51 7.877 7.877 7.739 0.138 18521 9025 1 10 . 1 1 52 52 LEU N N 52 121.629 121.629 119.246 2.383 18521 9026 1 10 . 1 1 52 52 LEU HA H 52 3.907 3.907 4.026 -0.119 18521 9027 1 10 . 1 1 52 52 LEU C C 52 178.993 178.993 179.172 -0.179 18521 9028 1 10 . 1 1 52 52 LEU CA C 52 57.840 57.840 57.585 0.255 18521 9029 1 10 . 1 1 52 52 LEU CB C 52 42.076 42.076 41.776 0.300 18521 9030 1 10 . 1 1 52 52 LEU H H 52 8.670 8.670 7.492 1.178 18521 9031 1 10 . 1 1 53 53 LEU N N 53 119.996 119.996 119.773 0.223 18521 9032 1 10 . 1 1 53 53 LEU HA H 53 3.949 3.949 3.793 0.156 18521 9033 1 10 . 1 1 53 53 LEU C C 53 179.950 179.950 178.956 0.994 18521 9034 1 10 . 1 1 53 53 LEU CA C 53 58.480 58.480 58.032 0.448 18521 9035 1 10 . 1 1 53 53 LEU CB C 53 41.341 41.341 41.067 0.274 18521 9036 1 10 . 1 1 53 53 LEU H H 53 8.336 8.336 7.540 0.796 18521 9037 1 10 . 1 1 54 54 ASP N N 54 120.632 120.632 118.970 1.662 18521 9038 1 10 . 1 1 54 54 ASP HA H 54 4.409 4.409 4.428 -0.019 18521 9039 1 10 . 1 1 54 54 ASP C C 54 179.383 179.383 178.438 0.945 18521 9040 1 10 . 1 1 54 54 ASP CA C 54 57.510 57.510 57.267 0.243 18521 9041 1 10 . 1 1 54 54 ASP CB C 54 40.275 40.275 40.606 -0.331 18521 9042 1 10 . 1 1 54 54 ASP H H 54 7.884 7.884 7.798 0.086 18521 9043 1 10 . 1 1 55 55 THR N N 55 121.006 121.006 117.585 3.421 18521 9044 1 10 . 1 1 55 55 THR HA H 55 3.923 3.923 4.093 -0.170 18521 9045 1 10 . 1 1 55 55 THR C C 55 177.066 177.066 176.843 0.223 18521 9046 1 10 . 1 1 55 55 THR CA C 55 67.018 67.018 67.256 -0.238 18521 9047 1 10 . 1 1 55 55 THR CB C 55 68.725 68.725 68.727 -0.002 18521 9048 1 10 . 1 1 55 55 THR H H 55 8.279 8.279 7.547 0.732 18521 9049 1 10 . 1 1 56 56 ILE N N 56 125.465 125.465 122.889 2.576 18521 9050 1 10 . 1 1 56 56 ILE HA H 56 3.748 3.748 3.811 -0.063 18521 9051 1 10 . 1 1 56 56 ILE C C 56 177.879 177.879 177.957 -0.078 18521 9052 1 10 . 1 1 56 56 ILE CA C 56 65.765 65.765 66.093 -0.328 18521 9053 1 10 . 1 1 56 56 ILE CB C 56 38.646 38.646 37.743 0.902 18521 9054 1 10 . 1 1 56 56 ILE H H 56 8.872 8.872 8.500 0.372 18521 9055 1 10 . 1 1 57 57 GLU N N 57 119.951 119.951 119.401 0.550 18521 9056 1 10 . 1 1 57 57 GLU HA H 57 4.034 4.034 3.995 0.039 18521 9057 1 10 . 1 1 57 57 GLU C C 57 179.357 179.357 179.223 0.134 18521 9058 1 10 . 1 1 57 57 GLU CA C 57 59.241 59.241 59.752 -0.511 18521 9059 1 10 . 1 1 57 57 GLU CB C 57 29.226 29.226 29.431 -0.205 18521 9060 1 10 . 1 1 57 57 GLU H H 57 8.024 8.024 7.962 0.062 18521 9061 1 10 . 1 1 58 58 ALA N N 58 122.402 122.402 122.871 -0.469 18521 9062 1 10 . 1 1 58 58 ALA HA H 58 4.044 4.044 4.156 -0.112 18521 9063 1 10 . 1 1 58 58 ALA C C 58 180.049 180.049 179.632 0.417 18521 9064 1 10 . 1 1 58 58 ALA CA C 58 55.167 55.167 55.038 0.129 18521 9065 1 10 . 1 1 58 58 ALA CB C 58 17.836 17.836 18.406 -0.570 18521 9066 1 10 . 1 1 58 58 ALA H H 58 8.026 8.026 8.328 -0.302 18521 9067 1 10 . 1 1 59 59 PHE N N 59 122.034 122.034 120.454 1.580 18521 9068 1 10 . 1 1 59 59 PHE HA H 59 4.165 4.165 4.212 -0.047 18521 9069 1 10 . 1 1 59 59 PHE C C 59 177.169 177.169 177.247 -0.078 18521 9070 1 10 . 1 1 59 59 PHE CA C 59 61.373 61.373 61.297 0.076 18521 9071 1 10 . 1 1 59 59 PHE CB C 59 39.384 39.384 39.697 -0.313 18521 9072 1 10 . 1 1 59 59 PHE H H 59 8.243 8.243 8.895 -0.652 18521 9073 1 10 . 1 1 60 60 LYS N N 60 117.415 117.415 119.569 -2.154 18521 9074 1 10 . 1 1 60 60 LYS HA H 60 3.490 3.490 3.635 -0.145 18521 9075 1 10 . 1 1 60 60 LYS C C 60 179.705 179.705 178.415 1.290 18521 9076 1 10 . 1 1 60 60 LYS CA C 60 60.051 60.051 59.432 0.619 18521 9077 1 10 . 1 1 60 60 LYS CB C 60 32.376 32.376 32.428 -0.052 18521 9078 1 10 . 1 1 60 60 LYS H H 60 7.978 7.978 8.602 -0.624 18521 9079 1 10 . 1 1 61 61 LYS N N 61 119.540 119.540 118.843 0.697 18521 9080 1 10 . 1 1 61 61 LYS HA H 61 3.942 3.942 3.955 -0.013 18521 9081 1 10 . 1 1 61 61 LYS C C 61 178.728 178.728 178.604 0.124 18521 9082 1 10 . 1 1 61 61 LYS CA C 61 58.878 58.878 59.604 -0.726 18521 9083 1 10 . 1 1 61 61 LYS CB C 61 32.626 32.626 32.252 0.374 18521 9084 1 10 . 1 1 61 61 LYS H H 61 7.853 7.853 8.184 -0.331 18521 9085 1 10 . 1 1 62 62 GLU N N 62 121.166 121.166 116.479 4.687 18521 9086 1 10 . 1 1 62 62 GLU HA H 62 3.933 3.933 4.043 -0.110 18521 9087 1 10 . 1 1 62 62 GLU C C 62 178.405 178.405 177.251 1.154 18521 9088 1 10 . 1 1 62 62 GLU CA C 62 58.655 58.655 58.487 0.168 18521 9089 1 10 . 1 1 62 62 GLU CB C 62 29.439 29.439 29.642 -0.203 18521 9090 1 10 . 1 1 62 62 GLU H H 62 7.956 7.956 7.588 0.368 18521 9091 1 10 . 1 1 63 63 ILE N N 63 117.896 117.896 116.498 1.398 18521 9092 1 10 . 1 1 63 63 ILE HA H 63 3.707 3.707 4.193 -0.486 18521 9093 1 10 . 1 1 63 63 ILE C C 63 177.438 177.438 176.704 0.734 18521 9094 1 10 . 1 1 63 63 ILE CA C 63 61.473 61.473 60.366 1.107 18521 9095 1 10 . 1 1 63 63 ILE CB C 63 36.546 36.546 38.988 -2.442 18521 9096 1 10 . 1 1 63 63 ILE H H 63 7.652 7.652 7.252 0.400 18521 9097 1 10 . 1 1 64 64 GLY N N 64 108.028 108.028 109.446 -1.418 18521 9098 1 10 . 1 1 64 64 GLY C C 64 175.261 175.261 175.005 0.256 18521 9099 1 10 . 1 1 64 64 GLY CA C 64 45.891 45.891 46.901 -1.010 18521 9100 1 10 . 1 1 64 64 GLY H H 64 7.654 7.654 8.234 -0.580 18521 9101 1 10 . 1 1 65 65 GLY N N 65 108.488 108.488 107.299 1.189 18521 9102 1 10 . 1 1 65 65 GLY C C 65 174.844 174.844 174.959 -0.115 18521 9103 1 10 . 1 1 65 65 GLY CA C 65 45.608 45.608 45.072 0.536 18521 9104 1 10 . 1 1 65 65 GLY H H 65 7.817 7.817 8.107 -0.290 18521 9105 1 10 . 1 1 66 66 GLU N N 66 121.078 121.078 119.327 1.751 18521 9106 1 10 . 1 1 66 66 GLU HA H 66 4.167 4.167 4.103 0.064 18521 9107 1 10 . 1 1 66 66 GLU C C 66 177.218 177.218 176.775 0.443 18521 9108 1 10 . 1 1 66 66 GLU CA C 66 57.075 57.075 58.767 -1.692 18521 9109 1 10 . 1 1 66 66 GLU CB C 66 30.015 30.015 29.862 0.153 18521 9110 1 10 . 1 1 66 66 GLU H H 66 8.195 8.195 8.731 -0.536 18521 9111 1 10 . 1 1 67 67 SER N N 67 116.370 116.370 110.834 5.536 18521 9112 1 10 . 1 1 67 67 SER HA H 67 4.187 4.187 4.514 -0.327 18521 9113 1 10 . 1 1 67 67 SER C C 67 174.670 174.670 175.321 -0.651 18521 9114 1 10 . 1 1 67 67 SER CA C 67 58.875 58.875 59.763 -0.888 18521 9115 1 10 . 1 1 67 67 SER CB C 67 63.783 63.783 64.631 -0.848 18521 9116 1 10 . 1 1 67 67 SER H H 67 8.205 8.205 8.223 -0.018 18521 9117 1 10 . 1 1 68 68 GLU N N 68 122.388 122.388 122.441 -0.053 18521 9118 1 10 . 1 1 68 68 GLU HA H 68 4.173 4.173 4.111 0.062 18521 9119 1 10 . 1 1 68 68 GLU C C 68 176.364 176.364 178.031 -1.667 18521 9120 1 10 . 1 1 68 68 GLU CA C 68 56.734 56.734 59.012 -2.278 18521 9121 1 10 . 1 1 68 68 GLU CB C 68 29.986 29.986 29.400 0.586 18521 9122 1 10 . 1 1 68 68 GLU H H 68 8.170 8.170 8.789 -0.619 18521 9123 1 10 . 1 1 69 69 ALA N N 69 124.265 124.265 121.395 2.870 18521 9124 1 10 . 1 1 69 69 ALA HA H 69 4.212 4.212 4.288 -0.076 18521 9125 1 10 . 1 1 69 69 ALA C C 69 178.042 178.042 178.647 -0.605 18521 9126 1 10 . 1 1 69 69 ALA CA C 69 52.468 52.468 54.528 -2.060 18521 9127 1 10 . 1 1 69 69 ALA CB C 69 19.411 19.411 18.219 1.192 18521 9128 1 10 . 1 1 69 69 ALA H H 69 7.931 7.931 8.138 -0.207 18521 9129 1 10 . 1 1 70 70 GLU N N 70 121.086 121.086 117.316 3.770 18521 9130 1 10 . 1 1 70 70 GLU HA H 70 4.110 4.110 3.971 0.139 18521 9131 1 10 . 1 1 70 70 GLU C C 70 180.047 180.047 178.181 1.866 18521 9132 1 10 . 1 1 70 70 GLU CA C 70 57.325 57.325 58.998 -1.673 18521 9133 1 10 . 1 1 70 70 GLU CB C 70 29.969 29.969 29.578 0.391 18521 9134 1 10 . 1 1 70 70 GLU H H 70 8.447 8.447 7.802 0.645 18521 9135 1 10 . 1 1 71 71 ASP N N 71 120.210 120.210 117.855 2.355 18521 9136 1 10 . 1 1 71 71 ASP HA H 71 4.545 4.545 4.493 0.052 18521 9137 1 10 . 1 1 71 71 ASP C C 71 176.385 176.385 176.816 -0.431 18521 9138 1 10 . 1 1 71 71 ASP CA C 71 54.149 54.149 56.298 -2.149 18521 9139 1 10 . 1 1 71 71 ASP CB C 71 40.756 40.756 41.186 -0.430 18521 9140 1 10 . 1 1 71 71 ASP H H 71 8.308 8.308 7.539 0.769 18521 9141 1 10 . 1 1 72 72 SER N N 72 116.137 116.137 113.268 2.869 18521 9142 1 10 . 1 1 72 72 SER HA H 72 4.259 4.259 4.646 -0.387 18521 9143 1 10 . 1 1 72 72 SER C C 72 174.578 174.578 173.163 1.415 18521 9144 1 10 . 1 1 72 72 SER CA C 72 58.851 58.851 57.614 1.237 18521 9145 1 10 . 1 1 72 72 SER CB C 72 63.870 63.870 63.198 0.672 18521 9146 1 10 . 1 1 72 72 SER H H 72 7.954 7.954 7.850 0.104 18521 9147 1 10 . 1 1 73 73 ASP N N 73 122.500 122.500 125.042 -2.542 18521 9148 1 10 . 1 1 73 73 ASP HA H 73 4.534 4.534 4.747 -0.213 18521 9149 1 10 . 1 1 73 73 ASP C C 73 176.903 176.903 176.280 0.623 18521 9150 1 10 . 1 1 73 73 ASP CA C 73 54.442 54.442 54.211 0.231 18521 9151 1 10 . 1 1 73 73 ASP CB C 73 41.253 41.253 40.131 1.122 18521 9152 1 10 . 1 1 73 73 ASP H H 73 8.384 8.384 8.818 -0.434 18521 9153 1 10 . 1 1 74 74 LYS N N 74 123.374 123.374 119.812 3.562 18521 9154 1 10 . 1 1 74 74 LYS HA H 74 4.099 4.099 4.370 -0.271 18521 9155 1 10 . 1 1 74 74 LYS C C 74 177.606 177.606 178.649 -1.043 18521 9156 1 10 . 1 1 74 74 LYS CA C 74 57.527 57.527 58.414 -0.887 18521 9157 1 10 . 1 1 74 74 LYS CB C 74 32.115 32.115 33.419 -1.304 18521 9158 1 10 . 1 1 74 74 LYS H H 74 8.338 8.338 7.604 0.734 18521 9159 1 10 . 1 1 75 75 SER N N 75 116.404 116.404 115.507 0.897 18521 9160 1 10 . 1 1 75 75 SER HA H 75 4.190 4.190 4.279 -0.089 18521 9161 1 10 . 1 1 75 75 SER C C 75 176.030 176.030 176.341 -0.311 18521 9162 1 10 . 1 1 75 75 SER CA C 75 60.560 60.560 61.181 -0.621 18521 9163 1 10 . 1 1 75 75 SER CB C 75 62.971 62.971 62.737 0.234 18521 9164 1 10 . 1 1 75 75 SER H H 75 8.409 8.409 8.240 0.169 18521 9165 1 10 . 1 1 76 76 LEU N N 76 123.753 123.753 123.371 0.382 18521 9166 1 10 . 1 1 76 76 LEU HA H 76 4.121 4.121 4.124 -0.003 18521 9167 1 10 . 1 1 76 76 LEU C C 76 178.263 178.263 177.527 0.736 18521 9168 1 10 . 1 1 76 76 LEU CA C 76 56.665 56.665 57.402 -0.737 18521 9169 1 10 . 1 1 76 76 LEU CB C 76 41.538 41.538 41.632 -0.094 18521 9170 1 10 . 1 1 76 76 LEU H H 76 8.068 8.068 7.845 0.223 18521 9171 1 10 . 1 1 77 77 HIS N N 77 120.235 120.235 118.252 1.983 18521 9172 1 10 . 1 1 77 77 HIS HA H 77 4.372 4.372 4.182 0.190 18521 9173 1 10 . 1 1 77 77 HIS C C 77 177.974 177.974 177.098 0.876 18521 9174 1 10 . 1 1 77 77 HIS CA C 77 58.504 58.504 59.905 -1.401 18521 9175 1 10 . 1 1 77 77 HIS CB C 77 30.124 30.124 29.490 0.634 18521 9176 1 10 . 1 1 77 77 HIS H H 77 7.955 7.955 8.217 -0.262 18521 9177 1 10 . 1 1 78 78 VAL N N 78 121.721 121.721 120.268 1.453 18521 9178 1 10 . 1 1 78 78 VAL HA H 78 3.612 3.612 3.635 -0.023 18521 9179 1 10 . 1 1 78 78 VAL C C 78 177.688 177.688 177.538 0.150 18521 9180 1 10 . 1 1 78 78 VAL CA C 78 65.817 65.817 66.159 -0.342 18521 9181 1 10 . 1 1 78 78 VAL CB C 78 31.729 31.729 31.904 -0.175 18521 9182 1 10 . 1 1 78 78 VAL H H 78 7.953 7.953 7.525 0.428 18521 9183 1 10 . 1 1 79 79 MET N N 79 119.138 119.138 118.391 0.747 18521 9184 1 10 . 1 1 79 79 MET HA H 79 3.879 3.879 3.970 -0.091 18521 9185 1 10 . 1 1 79 79 MET C C 79 180.609 180.609 177.816 2.793 18521 9186 1 10 . 1 1 79 79 MET CA C 79 59.210 59.210 59.148 0.062 18521 9187 1 10 . 1 1 79 79 MET CB C 79 34.157 34.157 32.308 1.849 18521 9188 1 10 . 1 1 79 79 MET H H 79 8.132 8.132 7.836 0.296 18521 9189 1 10 . 1 1 80 80 ASN N N 80 117.000 117.000 117.448 -0.448 18521 9190 1 10 . 1 1 80 80 ASN HA H 80 4.161 4.161 4.506 -0.345 18521 9191 1 10 . 1 1 80 80 ASN C C 80 178.212 178.212 177.052 1.160 18521 9192 1 10 . 1 1 80 80 ASN CA C 80 56.827 56.827 56.817 0.010 18521 9193 1 10 . 1 1 80 80 ASN CB C 80 38.920 38.920 37.854 1.066 18521 9194 1 10 . 1 1 80 80 ASN H H 80 8.195 8.195 8.468 -0.273 18521 9195 1 10 . 1 1 81 81 THR N N 81 116.021 116.021 117.338 -1.317 18521 9196 1 10 . 1 1 81 81 THR HA H 81 3.975 3.975 4.003 -0.028 18521 9197 1 10 . 1 1 81 81 THR C C 81 175.237 175.237 176.543 -1.306 18521 9198 1 10 . 1 1 81 81 THR CA C 81 66.507 66.507 66.262 0.245 18521 9199 1 10 . 1 1 81 81 THR CB C 81 68.813 68.813 68.586 0.227 18521 9200 1 10 . 1 1 81 81 THR H H 81 7.952 7.952 7.863 0.089 18521 9201 1 10 . 1 1 82 82 LEU N N 82 119.041 119.041 120.149 -1.108 18521 9202 1 10 . 1 1 82 82 LEU HA H 82 4.040 4.040 4.112 -0.072 18521 9203 1 10 . 1 1 82 82 LEU C C 82 177.541 177.541 178.170 -0.629 18521 9204 1 10 . 1 1 82 82 LEU CA C 82 56.468 56.468 57.574 -1.106 18521 9205 1 10 . 1 1 82 82 LEU CB C 82 42.247 42.247 41.882 0.365 18521 9206 1 10 . 1 1 82 82 LEU H H 82 7.655 7.655 7.564 0.091 18521 9207 1 10 . 1 1 83 83 ILE N N 83 118.063 118.063 115.266 2.797 18521 9208 1 10 . 1 1 83 83 ILE HA H 83 3.805 3.805 3.979 -0.174 18521 9209 1 10 . 1 1 83 83 ILE C C 83 176.681 176.681 177.918 -1.237 18521 9210 1 10 . 1 1 83 83 ILE CA C 83 63.188 63.188 63.656 -0.468 18521 9211 1 10 . 1 1 83 83 ILE CB C 83 37.939 37.939 38.498 -0.559 18521 9212 1 10 . 1 1 83 83 ILE H H 83 7.455 7.455 7.169 0.286 18521 9213 1 10 . 1 1 84 84 HIS N N 84 116.118 116.118 116.154 -0.036 18521 9214 1 10 . 1 1 84 84 HIS HA H 84 4.568 4.568 4.461 0.107 18521 9215 1 10 . 1 1 84 84 HIS C C 84 175.568 175.568 175.600 -0.032 18521 9216 1 10 . 1 1 84 84 HIS CA C 84 58.425 58.425 59.008 -0.583 18521 9217 1 10 . 1 1 84 84 HIS CB C 84 31.801 31.801 30.799 1.002 18521 9218 1 10 . 1 1 84 84 HIS H H 84 7.168 7.168 8.590 -1.422 18521 9219 1 10 . 1 1 85 85 ASP N N 85 122.411 122.411 119.854 2.557 18521 9220 1 10 . 1 1 85 85 ASP HA H 85 4.546 4.546 4.720 -0.174 18521 9221 1 10 . 1 1 85 85 ASP C C 85 175.527 175.527 176.839 -1.312 18521 9222 1 10 . 1 1 85 85 ASP CA C 85 53.215 53.215 53.414 -0.199 18521 9223 1 10 . 1 1 85 85 ASP CB C 85 40.936 40.936 40.741 0.195 18521 9224 1 10 . 1 1 85 85 ASP H H 85 8.576 8.576 8.042 0.534 18521 9225 1 10 . 1 1 86 86 GLN N N 86 122.561 122.561 126.789 -4.228 18521 9226 1 10 . 1 1 86 86 GLN HA H 86 4.077 4.077 4.175 -0.098 18521 9227 1 10 . 1 1 86 86 GLN C C 86 178.518 178.518 178.194 0.324 18521 9228 1 10 . 1 1 86 86 GLN CA C 86 57.816 57.816 58.609 -0.793 18521 9229 1 10 . 1 1 86 86 GLN CB C 86 29.165 29.165 28.727 0.438 18521 9230 1 10 . 1 1 86 86 GLN H H 86 8.715 8.715 8.452 0.263 18521 9231 1 10 . 1 1 87 87 GLU N N 87 121.616 121.616 120.296 1.320 18521 9232 1 10 . 1 1 87 87 GLU HA H 87 4.042 4.042 3.694 0.348 18521 9233 1 10 . 1 1 87 87 GLU C C 87 178.154 178.154 178.202 -0.048 18521 9234 1 10 . 1 1 87 87 GLU CA C 87 59.051 59.051 59.645 -0.594 18521 9235 1 10 . 1 1 87 87 GLU CB C 87 29.231 29.231 28.973 0.258 18521 9236 1 10 . 1 1 87 87 GLU H H 87 8.073 8.073 7.859 0.214 18521 9237 1 10 . 1 1 88 88 LYS N N 88 119.006 119.006 119.319 -0.313 18521 9238 1 10 . 1 1 88 88 LYS HA H 88 3.754 3.754 4.047 -0.293 18521 9239 1 10 . 1 1 88 88 LYS C C 88 177.129 177.129 178.630 -1.501 18521 9240 1 10 . 1 1 88 88 LYS CA C 88 59.721 59.721 59.168 0.553 18521 9241 1 10 . 1 1 88 88 LYS CB C 88 32.253 32.253 32.231 0.022 18521 9242 1 10 . 1 1 88 88 LYS H H 88 7.525 7.525 8.347 -0.822 18521 9243 1 10 . 1 1 89 89 ALA N N 89 121.945 121.945 121.494 0.451 18521 9244 1 10 . 1 1 89 89 ALA HA H 89 3.734 3.734 4.054 -0.320 18521 9245 1 10 . 1 1 89 89 ALA C C 89 177.545 177.545 178.994 -1.449 18521 9246 1 10 . 1 1 89 89 ALA CA C 89 55.977 55.977 55.147 0.830 18521 9247 1 10 . 1 1 89 89 ALA CB C 89 18.763 18.763 18.049 0.714 18521 9248 1 10 . 1 1 89 89 ALA H H 89 8.472 8.472 8.043 0.429 18521 9249 1 10 . 1 1 90 90 LYS N N 90 117.743 117.743 119.013 -1.270 18521 9250 1 10 . 1 1 90 90 LYS HA H 90 4.015 4.015 2.739 1.276 18521 9251 1 10 . 1 1 90 90 LYS C C 90 177.667 177.667 178.485 -0.818 18521 9252 1 10 . 1 1 90 90 LYS CA C 90 58.703 58.703 58.707 -0.004 18521 9253 1 10 . 1 1 90 90 LYS CB C 90 32.779 32.779 31.417 1.362 18521 9254 1 10 . 1 1 90 90 LYS H H 90 6.684 6.684 7.561 -0.877 18521 9255 1 10 . 1 1 91 91 ILE N N 91 117.216 117.216 118.907 -1.691 18521 9256 1 10 . 1 1 91 91 ILE HA H 91 3.414 3.414 3.602 -0.188 18521 9257 1 10 . 1 1 91 91 ILE C C 91 178.422 178.422 177.807 0.615 18521 9258 1 10 . 1 1 91 91 ILE CA C 91 64.094 64.094 65.065 -0.971 18521 9259 1 10 . 1 1 91 91 ILE CB C 91 37.481 37.481 37.806 -0.325 18521 9260 1 10 . 1 1 91 91 ILE H H 91 7.196 7.196 7.367 -0.171 18521 9261 1 10 . 1 1 92 92 TYR N N 92 122.201 122.201 121.004 1.197 18521 9262 1 10 . 1 1 92 92 TYR HA H 92 4.047 4.047 4.131 -0.084 18521 9263 1 10 . 1 1 92 92 TYR C C 92 177.726 177.726 177.357 0.369 18521 9264 1 10 . 1 1 92 92 TYR CA C 92 61.771 61.771 61.572 0.199 18521 9265 1 10 . 1 1 92 92 TYR CB C 92 39.295 39.295 38.240 1.055 18521 9266 1 10 . 1 1 92 92 TYR H H 92 8.466 8.466 7.624 0.842 18521 9267 1 10 . 1 1 93 93 MET N N 93 117.420 117.420 119.757 -2.337 18521 9268 1 10 . 1 1 93 93 MET HA H 93 3.896 3.896 3.944 -0.048 18521 9269 1 10 . 1 1 93 93 MET C C 93 180.221 180.221 177.745 2.476 18521 9270 1 10 . 1 1 93 93 MET CA C 93 57.586 57.586 58.278 -0.692 18521 9271 1 10 . 1 1 93 93 MET CB C 93 30.854 30.854 32.173 -1.319 18521 9272 1 10 . 1 1 93 93 MET H H 93 8.269 8.269 8.711 -0.442 18521 9273 1 10 . 1 1 94 94 LEU N N 94 125.183 125.183 120.322 4.861 18521 9274 1 10 . 1 1 94 94 LEU HA H 94 3.826 3.826 3.894 -0.068 18521 9275 1 10 . 1 1 94 94 LEU C C 94 177.787 177.787 178.169 -0.382 18521 9276 1 10 . 1 1 94 94 LEU CA C 94 58.729 58.729 58.502 0.227 18521 9277 1 10 . 1 1 94 94 LEU CB C 94 42.188 42.188 41.613 0.575 18521 9278 1 10 . 1 1 94 94 LEU H H 94 8.733 8.733 8.029 0.704 18521 9279 1 10 . 1 1 95 95 ASN N N 95 121.517 121.517 118.514 3.003 18521 9280 1 10 . 1 1 95 95 ASN HA H 95 4.184 4.184 4.272 -0.088 18521 9281 1 10 . 1 1 95 95 ASN C C 95 178.481 178.481 177.562 0.919 18521 9282 1 10 . 1 1 95 95 ASN CA C 95 56.312 56.312 56.435 -0.123 18521 9283 1 10 . 1 1 95 95 ASN H H 95 8.951 8.951 8.188 0.763 18521 9284 1 10 . 1 1 96 96 PHE N N 96 122.778 122.778 121.100 1.678 18521 9285 1 10 . 1 1 96 96 PHE HA H 96 4.341 4.341 4.044 0.297 18521 9286 1 10 . 1 1 96 96 PHE C C 96 177.925 177.925 176.936 0.989 18521 9287 1 10 . 1 1 96 96 PHE CA C 96 62.427 62.427 61.935 0.492 18521 9288 1 10 . 1 1 96 96 PHE H H 96 8.454 8.454 8.598 -0.144 18521 9289 1 10 . 1 1 97 97 THR N N 97 117.115 117.115 116.643 0.472 18521 9290 1 10 . 1 1 97 97 THR HA H 97 3.369 3.369 3.779 -0.410 18521 9291 1 10 . 1 1 97 97 THR C C 97 176.185 176.185 176.885 -0.700 18521 9292 1 10 . 1 1 97 97 THR CA C 97 68.090 68.090 66.940 1.150 18521 9293 1 10 . 1 1 97 97 THR CB C 97 68.087 68.087 68.355 -0.268 18521 9294 1 10 . 1 1 97 97 THR H H 97 8.209 8.209 8.637 -0.428 18521 9295 1 10 . 1 1 98 98 MET N N 98 119.373 119.373 120.545 -1.172 18521 9296 1 10 . 1 1 98 98 MET HA H 98 4.360 4.360 4.404 -0.044 18521 9297 1 10 . 1 1 98 98 MET C C 98 177.887 177.887 178.746 -0.859 18521 9298 1 10 . 1 1 98 98 MET CA C 98 58.143 58.143 58.227 -0.084 18521 9299 1 10 . 1 1 98 98 MET CB C 98 31.948 31.948 31.547 0.401 18521 9300 1 10 . 1 1 98 98 MET H H 98 8.958 8.958 8.933 0.025 18521 9301 1 10 . 1 1 99 99 SER N N 99 114.517 114.517 116.467 -1.950 18521 9302 1 10 . 1 1 99 99 SER HA H 99 4.043 4.043 4.138 -0.095 18521 9303 1 10 . 1 1 99 99 SER C C 99 176.195 176.195 176.722 -0.527 18521 9304 1 10 . 1 1 99 99 SER CA C 99 62.481 62.481 61.726 0.755 18521 9305 1 10 . 1 1 99 99 SER CB C 99 62.692 62.692 62.479 0.213 18521 9306 1 10 . 1 1 99 99 SER H H 99 7.708 7.708 8.122 -0.414 18521 9307 1 10 . 1 1 100 100 LEU N N 100 125.126 125.126 123.877 1.249 18521 9308 1 10 . 1 1 100 100 LEU HA H 100 3.913 3.913 4.030 -0.117 18521 9309 1 10 . 1 1 100 100 LEU C C 100 177.327 177.327 178.085 -0.758 18521 9310 1 10 . 1 1 100 100 LEU CA C 100 58.005 58.005 57.172 0.833 18521 9311 1 10 . 1 1 100 100 LEU CB C 100 41.841 41.841 41.611 0.230 18521 9312 1 10 . 1 1 100 100 LEU H H 100 7.277 7.277 7.690 -0.413 18521 9313 1 10 . 1 1 101 101 TYR N N 101 120.940 120.940 119.644 1.296 18521 9314 1 10 . 1 1 101 101 TYR HA H 101 4.143 4.143 4.189 -0.046 18521 9315 1 10 . 1 1 101 101 TYR C C 101 176.784 176.784 177.356 -0.572 18521 9316 1 10 . 1 1 101 101 TYR CA C 101 61.543 61.543 60.220 1.323 18521 9317 1 10 . 1 1 101 101 TYR CB C 101 40.909 40.909 38.180 2.729 18521 9318 1 10 . 1 1 101 101 TYR H H 101 8.858 8.858 8.872 -0.014 18521 9319 1 10 . 1 1 102 102 ASN N N 102 119.067 119.067 117.691 1.376 18521 9320 1 10 . 1 1 102 102 ASN HA H 102 4.116 4.116 4.055 0.061 18521 9321 1 10 . 1 1 102 102 ASN C C 102 178.713 178.713 177.186 1.527 18521 9322 1 10 . 1 1 102 102 ASN CA C 102 55.734 55.734 56.056 -0.322 18521 9323 1 10 . 1 1 102 102 ASN H H 102 8.700 8.700 8.754 -0.054 18521 9324 1 10 . 1 1 103 103 GLU N N 103 119.558 119.558 120.179 -0.621 18521 9325 1 10 . 1 1 103 103 GLU HA H 103 3.944 3.944 3.924 0.020 18521 9326 1 10 . 1 1 103 103 GLU C C 103 179.012 179.012 178.813 0.199 18521 9327 1 10 . 1 1 103 103 GLU CA C 103 59.506 59.506 59.651 -0.145 18521 9328 1 10 . 1 1 103 103 GLU CB C 103 29.349 29.349 29.504 -0.155 18521 9329 1 10 . 1 1 103 103 GLU H H 103 7.599 7.599 7.716 -0.117 18521 9330 1 10 . 1 1 104 104 LYS N N 104 120.218 120.218 118.550 1.668 18521 9331 1 10 . 1 1 104 104 LYS HA H 104 4.051 4.051 4.039 0.012 18521 9332 1 10 . 1 1 104 104 LYS C C 104 178.477 178.477 179.030 -0.553 18521 9333 1 10 . 1 1 104 104 LYS CA C 104 56.534 56.534 58.389 -1.855 18521 9334 1 10 . 1 1 104 104 LYS CB C 104 29.108 29.108 32.134 -3.026 18521 9335 1 10 . 1 1 104 104 LYS H H 104 8.311 8.311 7.471 0.840 18521 9336 1 10 . 1 1 105 105 LEU N N 105 122.110 122.110 119.678 2.432 18521 9337 1 10 . 1 1 105 105 LEU HA H 105 3.774 3.774 3.923 -0.149 18521 9338 1 10 . 1 1 105 105 LEU C C 105 180.224 180.224 178.769 1.455 18521 9339 1 10 . 1 1 105 105 LEU CA C 105 58.148 58.148 57.367 0.781 18521 9340 1 10 . 1 1 105 105 LEU CB C 105 42.394 42.394 41.140 1.254 18521 9341 1 10 . 1 1 105 105 LEU H H 105 8.604 8.604 7.749 0.855 18521 9342 1 10 . 1 1 106 106 LYS N N 106 119.031 119.031 119.396 -0.365 18521 9343 1 10 . 1 1 106 106 LYS HA H 106 4.035 4.035 3.794 0.241 18521 9344 1 10 . 1 1 106 106 LYS C C 106 178.496 178.496 179.027 -0.531 18521 9345 1 10 . 1 1 106 106 LYS CA C 106 59.820 59.820 59.438 0.382 18521 9346 1 10 . 1 1 106 106 LYS CB C 106 31.956 31.956 32.147 -0.191 18521 9347 1 10 . 1 1 106 106 LYS H H 106 7.339 7.339 8.048 -0.709 18521 9348 1 10 . 1 1 107 107 GLN N N 107 121.417 121.417 117.280 4.137 18521 9349 1 10 . 1 1 107 107 GLN HA H 107 3.744 3.744 3.814 -0.070 18521 9350 1 10 . 1 1 107 107 GLN C C 107 178.103 178.103 178.734 -0.631 18521 9351 1 10 . 1 1 107 107 GLN CA C 107 58.582 58.582 58.026 0.556 18521 9352 1 10 . 1 1 107 107 GLN CB C 107 26.969 26.969 27.982 -1.013 18521 9353 1 10 . 1 1 107 107 GLN H H 107 7.590 7.590 7.491 0.099 18521 9354 1 10 . 1 1 108 108 LEU N N 108 120.629 120.629 118.969 1.660 18521 9355 1 10 . 1 1 108 108 LEU HA H 108 3.806 3.806 4.487 -0.681 18521 9356 1 10 . 1 1 108 108 LEU C C 108 178.978 178.978 178.473 0.505 18521 9357 1 10 . 1 1 108 108 LEU CA C 108 58.306 58.306 57.379 0.927 18521 9358 1 10 . 1 1 108 108 LEU CB C 108 42.112 42.112 41.821 0.291 18521 9359 1 10 . 1 1 108 108 LEU H H 108 8.450 8.450 7.431 1.019 18521 9360 1 10 . 1 1 109 109 LYS N N 109 119.584 119.584 117.404 2.180 18521 9361 1 10 . 1 1 109 109 LYS HA H 109 4.166 4.166 4.083 0.083 18521 9362 1 10 . 1 1 109 109 LYS C C 109 177.859 177.859 177.099 0.760 18521 9363 1 10 . 1 1 109 109 LYS CA C 109 58.746 58.746 58.707 0.039 18521 9364 1 10 . 1 1 109 109 LYS CB C 109 32.637 32.637 32.762 -0.125 18521 9365 1 10 . 1 1 109 109 LYS H H 109 7.295 7.295 7.722 -0.427 18521 9366 1 10 . 1 1 110 110 ASP N N 110 116.950 116.950 113.235 3.715 18521 9367 1 10 . 1 1 110 110 ASP HA H 110 4.604 4.604 4.990 -0.386 18521 9368 1 10 . 1 1 110 110 ASP C C 110 177.157 177.157 174.914 2.243 18521 9369 1 10 . 1 1 110 110 ASP CA C 110 55.768 55.768 54.406 1.362 18521 9370 1 10 . 1 1 110 110 ASP CB C 110 42.724 42.724 43.280 -0.556 18521 9371 1 10 . 1 1 110 110 ASP H H 110 7.807 7.807 7.714 0.093 18521 9372 1 10 . 1 1 111 111 GLY N N 111 114.046 114.046 110.166 3.880 18521 9373 1 10 . 1 1 111 111 GLY CA C 111 41.845 41.845 44.271 -2.426 18521 9374 1 10 . 1 1 111 111 GLY H H 111 8.554 8.554 7.359 1.195 18521 9375 1 10 . 1 1 112 112 PRO HA H 112 4.552 4.552 4.087 0.465 18521 9376 1 10 . 1 1 112 112 PRO C C 112 174.967 174.967 175.790 -0.823 18521 9377 1 10 . 1 1 112 112 PRO CA C 112 61.222 61.222 62.837 -1.615 18521 9378 1 10 . 1 1 112 112 PRO CB C 112 35.056 35.056 32.266 2.790 18521 9379 1 10 . 1 1 113 113 TRP N N 113 123.139 123.139 122.888 0.251 18521 9380 1 10 . 1 1 113 113 TRP HA H 113 4.650 4.650 4.820 -0.170 18521 9381 1 10 . 1 1 113 113 TRP C C 113 174.604 174.604 175.124 -0.520 18521 9382 1 10 . 1 1 113 113 TRP CA C 113 58.154 58.154 56.710 1.444 18521 9383 1 10 . 1 1 113 113 TRP CB C 113 27.048 27.048 31.216 -4.168 18521 9384 1 10 . 1 1 113 113 TRP H H 113 8.671 8.671 8.571 0.100 18521 9385 1 10 . 1 1 114 114 ASP N N 114 121.440 121.440 118.509 2.931 18521 9386 1 10 . 1 1 114 114 ASP HA H 114 4.930 4.930 4.689 0.241 18521 9387 1 10 . 1 1 114 114 ASP C C 114 176.979 176.979 176.261 0.718 18521 9388 1 10 . 1 1 114 114 ASP CA C 114 52.223 52.223 52.957 -0.734 18521 9389 1 10 . 1 1 114 114 ASP CB C 114 43.192 43.192 41.985 1.207 18521 9390 1 10 . 1 1 114 114 ASP H H 114 6.950 6.950 8.057 -1.107 18521 9391 1 10 . 1 1 115 115 VAL N N 115 118.386 118.386 120.295 -1.909 18521 9392 1 10 . 1 1 115 115 VAL HA H 115 3.825 3.825 3.799 0.026 18521 9393 1 10 . 1 1 115 115 VAL C C 115 177.760 177.760 178.070 -0.310 18521 9394 1 10 . 1 1 115 115 VAL CA C 115 65.611 65.611 65.409 0.202 18521 9395 1 10 . 1 1 115 115 VAL CB C 115 31.657 31.657 32.060 -0.404 18521 9396 1 10 . 1 1 115 115 VAL H H 115 8.181 8.181 8.374 -0.193 18521 9397 1 10 . 1 1 116 116 MET N N 116 120.354 120.354 118.688 1.666 18521 9398 1 10 . 1 1 116 116 MET HA H 116 4.284 4.284 4.154 0.130 18521 9399 1 10 . 1 1 116 116 MET C C 116 179.336 179.336 178.195 1.141 18521 9400 1 10 . 1 1 116 116 MET CA C 116 57.392 57.392 58.825 -1.433 18521 9401 1 10 . 1 1 116 116 MET CB C 116 30.450 30.450 32.235 -1.785 18521 9402 1 10 . 1 1 116 116 MET H H 116 7.661 7.661 7.953 -0.292 18521 9403 1 10 . 1 1 117 117 LEU N N 117 125.774 125.774 120.390 5.384 18521 9404 1 10 . 1 1 117 117 LEU HA H 117 4.129 4.129 3.963 0.166 18521 9405 1 10 . 1 1 117 117 LEU C C 117 178.399 178.399 177.926 0.473 18521 9406 1 10 . 1 1 117 117 LEU CA C 117 58.353 58.353 58.487 -0.134 18521 9407 1 10 . 1 1 117 117 LEU CB C 117 40.392 40.392 41.718 -1.326 18521 9408 1 10 . 1 1 117 117 LEU H H 117 8.179 8.179 9.190 -1.011 18521 9409 1 10 . 1 1 118 118 LYS N N 118 118.471 118.471 119.565 -1.094 18521 9410 1 10 . 1 1 118 118 LYS HA H 118 3.824 3.824 3.990 -0.166 18521 9411 1 10 . 1 1 118 118 LYS C C 118 178.259 178.259 179.117 -0.858 18521 9412 1 10 . 1 1 118 118 LYS CA C 118 60.497 60.497 60.087 0.410 18521 9413 1 10 . 1 1 118 118 LYS CB C 118 32.355 32.355 32.322 0.033 18521 9414 1 10 . 1 1 118 118 LYS H H 118 7.359 7.359 7.657 -0.298 18521 9415 1 10 . 1 1 119 119 ARG N N 119 117.838 117.838 118.700 -0.862 18521 9416 1 10 . 1 1 119 119 ARG HA H 119 4.158 4.158 4.300 -0.142 18521 9417 1 10 . 1 1 119 119 ARG C C 119 180.132 180.132 179.131 1.001 18521 9418 1 10 . 1 1 119 119 ARG CA C 119 59.535 59.535 59.417 0.117 18521 9419 1 10 . 1 1 119 119 ARG CB C 119 29.994 29.994 30.236 -0.242 18521 9420 1 10 . 1 1 119 119 ARG H H 119 8.316 8.316 8.093 0.223 18521 9421 1 10 . 1 1 120 120 SER N N 120 117.258 117.258 116.115 1.143 18521 9422 1 10 . 1 1 120 120 SER HA H 120 4.374 4.374 4.330 0.044 18521 9423 1 10 . 1 1 120 120 SER C C 120 176.034 176.034 176.760 -0.726 18521 9424 1 10 . 1 1 120 120 SER CA C 120 62.728 62.728 61.792 0.936 18521 9425 1 10 . 1 1 120 120 SER CB C 120 63.050 63.050 62.931 0.119 18521 9426 1 10 . 1 1 120 120 SER H H 120 8.598 8.598 8.250 0.348 18521 9427 1 10 . 1 1 121 121 LEU N N 121 125.307 125.307 121.898 3.409 18521 9428 1 10 . 1 1 121 121 LEU HA H 121 4.192 4.192 4.131 0.061 18521 9429 1 10 . 1 1 121 121 LEU C C 121 179.621 179.621 178.857 0.764 18521 9430 1 10 . 1 1 121 121 LEU CA C 121 58.894 58.894 58.185 0.709 18521 9431 1 10 . 1 1 121 121 LEU CB C 121 41.188 41.188 41.738 -0.550 18521 9432 1 10 . 1 1 121 121 LEU H H 121 8.250 8.250 8.351 -0.101 18521 9433 1 10 . 1 1 122 122 TRP N N 122 120.444 120.444 119.234 1.210 18521 9434 1 10 . 1 1 122 122 TRP HA H 122 4.368 4.368 4.317 0.051 18521 9435 1 10 . 1 1 122 122 TRP C C 122 176.943 176.943 178.613 -1.670 18521 9436 1 10 . 1 1 122 122 TRP CA C 122 61.452 61.452 61.443 0.009 18521 9437 1 10 . 1 1 122 122 TRP CB C 122 29.823 29.823 29.187 0.636 18521 9438 1 10 . 1 1 122 122 TRP H H 122 7.873 7.873 7.678 0.195 18521 9439 1 10 . 1 1 123 123 CYS N N 123 120.188 120.188 119.834 0.354 18521 9440 1 10 . 1 1 123 123 CYS HA H 123 4.264 4.264 4.138 0.126 18521 9441 1 10 . 1 1 123 123 CYS C C 123 176.875 176.875 177.135 -0.260 18521 9442 1 10 . 1 1 123 123 CYS CA C 123 60.573 60.573 63.492 -2.920 18521 9443 1 10 . 1 1 123 123 CYS CB C 123 25.642 25.642 27.032 -1.389 18521 9444 1 10 . 1 1 123 123 CYS H H 123 8.271 8.271 8.035 0.236 18521 9445 1 10 . 1 1 124 124 CYS N N 124 116.760 116.760 119.017 -2.257 18521 9446 1 10 . 1 1 124 124 CYS HA H 124 3.880 3.880 3.994 -0.114 18521 9447 1 10 . 1 1 124 124 CYS C C 124 175.810 175.810 176.696 -0.886 18521 9448 1 10 . 1 1 124 124 CYS CA C 124 65.646 65.646 64.470 1.176 18521 9449 1 10 . 1 1 124 124 CYS CB C 124 28.069 28.069 27.829 0.240 18521 9450 1 10 . 1 1 124 124 CYS H H 124 8.208 8.208 7.844 0.364 18521 9451 1 10 . 1 1 125 125 ILE N N 125 121.167 121.167 121.305 -0.138 18521 9452 1 10 . 1 1 125 125 ILE HA H 125 3.580 3.580 3.765 -0.185 18521 9453 1 10 . 1 1 125 125 ILE C C 125 179.302 179.302 177.589 1.713 18521 9454 1 10 . 1 1 125 125 ILE CA C 125 67.663 67.663 65.853 1.810 18521 9455 1 10 . 1 1 125 125 ILE CB C 125 37.988 37.988 37.516 0.472 18521 9456 1 10 . 1 1 125 125 ILE H H 125 8.073 8.073 7.807 0.266 18521 9457 1 10 . 1 1 126 126 ASP N N 126 124.812 124.812 120.183 4.629 18521 9458 1 10 . 1 1 126 126 ASP HA H 126 4.622 4.622 4.430 0.192 18521 9459 1 10 . 1 1 126 126 ASP C C 126 178.091 178.091 178.977 -0.886 18521 9460 1 10 . 1 1 126 126 ASP CA C 126 58.885 58.885 57.446 1.439 18521 9461 1 10 . 1 1 126 126 ASP CB C 126 40.408 40.408 40.287 0.121 18521 9462 1 10 . 1 1 126 126 ASP H H 126 8.778 8.778 7.771 1.007 18521 9463 1 10 . 1 1 127 127 LEU N N 127 122.531 122.531 119.834 2.697 18521 9464 1 10 . 1 1 127 127 LEU HA H 127 3.841 3.841 3.751 0.090 18521 9465 1 10 . 1 1 127 127 LEU C C 127 179.582 179.582 178.898 0.684 18521 9466 1 10 . 1 1 127 127 LEU CA C 127 58.632 58.632 57.657 0.975 18521 9467 1 10 . 1 1 127 127 LEU CB C 127 42.680 42.680 41.561 1.119 18521 9468 1 10 . 1 1 127 127 LEU H H 127 8.888 8.888 7.246 1.642 18521 9469 1 10 . 1 1 128 128 ILE N N 128 121.311 121.311 119.169 2.142 18521 9470 1 10 . 1 1 128 128 ILE HA H 128 3.938 3.938 3.681 0.257 18521 9471 1 10 . 1 1 128 128 ILE C C 128 176.725 176.725 178.190 -1.465 18521 9472 1 10 . 1 1 128 128 ILE CA C 128 60.922 60.922 65.046 -4.124 18521 9473 1 10 . 1 1 128 128 ILE CB C 128 38.971 38.971 37.196 1.775 18521 9474 1 10 . 1 1 128 128 ILE H H 128 7.469 7.469 7.693 -0.224 18521 9475 1 10 . 1 1 129 129 ASN N N 129 122.727 122.727 118.100 4.627 18521 9476 1 10 . 1 1 129 129 ASN HA H 129 4.582 4.582 4.382 0.200 18521 9477 1 10 . 1 1 129 129 ASN C C 129 177.132 177.132 177.317 -0.185 18521 9478 1 10 . 1 1 129 129 ASN CA C 129 52.982 52.982 56.609 -3.627 18521 9479 1 10 . 1 1 129 129 ASN CB C 129 38.792 38.792 38.420 0.372 18521 9480 1 10 . 1 1 129 129 ASN H H 129 8.173 8.173 8.157 0.016 18521 9481 1 10 . 1 1 130 130 ILE N N 130 120.527 120.527 121.918 -1.391 18521 9482 1 10 . 1 1 130 130 ILE HA H 130 4.305 4.305 3.071 1.234 18521 9483 1 10 . 1 1 130 130 ILE C C 130 175.796 175.796 177.369 -1.573 18521 9484 1 10 . 1 1 130 130 ILE CA C 130 61.246 61.246 64.013 -2.767 18521 9485 1 10 . 1 1 130 130 ILE CB C 130 38.797 38.797 36.506 2.291 18521 9486 1 10 . 1 1 130 130 ILE H H 130 8.096 8.096 7.277 0.819 18521 9487 1 10 . 1 1 131 131 ASP N N 131 122.165 122.165 122.055 0.110 18521 9488 1 10 . 1 1 131 131 ASP HA H 131 4.416 4.416 4.102 0.314 18521 9489 1 10 . 1 1 131 131 ASP C C 131 176.750 176.750 178.519 -1.769 18521 9490 1 10 . 1 1 131 131 ASP CA C 131 55.955 55.955 57.942 -1.987 18521 9491 1 10 . 1 1 131 131 ASP CB C 131 41.117 41.117 40.644 0.473 18521 9492 1 10 . 1 1 131 131 ASP H H 131 8.157 8.157 7.502 0.655 18521 9493 1 10 . 1 1 132 132 LYS N N 132 119.537 119.537 117.937 1.600 18521 9494 1 10 . 1 1 132 132 LYS HA H 132 4.373 4.373 3.983 0.390 18521 9495 1 10 . 1 1 132 132 LYS C C 132 176.405 176.405 178.351 -1.946 18521 9496 1 10 . 1 1 132 132 LYS CA C 132 55.699 55.699 59.196 -3.497 18521 9497 1 10 . 1 1 132 132 LYS CB C 132 32.822 32.822 32.213 0.609 18521 9498 1 10 . 1 1 132 132 LYS H H 132 8.023 8.023 7.569 0.454 18521 9499 1 10 . 1 1 133 133 LEU N N 133 120.242 120.242 120.167 0.075 18521 9500 1 10 . 1 1 133 133 LEU HA H 133 4.158 4.158 4.309 -0.151 18521 9501 1 10 . 1 1 133 133 LEU C C 133 178.449 178.449 179.784 -1.335 18521 9502 1 10 . 1 1 133 133 LEU CA C 133 57.538 57.538 58.142 -0.604 18521 9503 1 10 . 1 1 133 133 LEU CB C 133 41.572 41.572 42.896 -1.324 18521 9504 1 10 . 1 1 133 133 LEU H H 133 8.024 8.024 7.816 0.208 18521 9505 1 10 . 1 1 134 134 GLN N N 134 117.985 117.985 118.348 -0.363 18521 9506 1 10 . 1 1 134 134 GLN HA H 134 4.018 4.018 3.831 0.187 18521 9507 1 10 . 1 1 134 134 GLN C C 134 179.500 179.500 176.962 2.538 18521 9508 1 10 . 1 1 134 134 GLN CA C 134 58.175 58.175 57.826 0.349 18521 9509 1 10 . 1 1 134 134 GLN CB C 134 29.102 29.102 28.183 0.919 18521 9510 1 10 . 1 1 134 134 GLN H H 134 8.536 8.536 8.315 0.221 18521 9511 1 10 . 1 1 135 135 TRP N N 135 115.550 115.550 116.068 -0.518 18521 9512 1 10 . 1 1 135 135 TRP HA H 135 4.991 4.991 4.934 0.057 18521 9513 1 10 . 1 1 135 135 TRP C C 135 175.170 175.170 175.286 -0.116 18521 9514 1 10 . 1 1 135 135 TRP CA C 135 59.426 59.426 56.005 3.421 18521 9515 1 10 . 1 1 135 135 TRP CB C 135 26.894 26.894 28.293 -1.399 18521 9516 1 10 . 1 1 135 135 TRP H H 135 7.727 7.727 7.393 0.334 18521 9517 1 10 . 1 1 136 136 LYS N N 136 119.841 119.841 120.605 -0.764 18521 9518 1 10 . 1 1 136 136 LYS HA H 136 3.830 3.830 4.063 -0.233 18521 9519 1 10 . 1 1 136 136 LYS C C 136 178.330 178.330 178.675 -0.345 18521 9520 1 10 . 1 1 136 136 LYS CA C 136 60.194 60.194 60.225 -0.031 18521 9521 1 10 . 1 1 136 136 LYS CB C 136 32.902 32.902 32.489 0.413 18521 9522 1 10 . 1 1 136 136 LYS H H 136 6.580 6.580 7.914 -1.334 18521 9523 1 10 . 1 1 137 137 GLU N N 137 115.250 115.250 115.923 -0.673 18521 9524 1 10 . 1 1 137 137 GLU HA H 137 4.177 4.177 4.165 0.012 18521 9525 1 10 . 1 1 137 137 GLU C C 137 176.698 176.698 177.223 -0.525 18521 9526 1 10 . 1 1 137 137 GLU CA C 137 57.766 57.766 58.175 -0.409 18521 9527 1 10 . 1 1 137 137 GLU CB C 137 29.221 29.221 28.993 0.228 18521 9528 1 10 . 1 1 137 137 GLU H H 137 8.549 8.549 8.769 -0.220 18521 9529 1 10 . 1 1 138 138 ASN N N 138 116.578 116.578 115.892 0.686 18521 9530 1 10 . 1 1 138 138 ASN HA H 138 4.943 4.943 4.732 0.211 18521 9531 1 10 . 1 1 138 138 ASN C C 138 173.448 173.448 174.210 -0.762 18521 9532 1 10 . 1 1 138 138 ASN CA C 138 52.681 52.681 53.532 -0.851 18521 9533 1 10 . 1 1 138 138 ASN CB C 138 40.833 40.833 39.587 1.246 18521 9534 1 10 . 1 1 138 138 ASN H H 138 8.337 8.337 7.695 0.642 18521 9535 1 10 . 1 1 139 139 ILE N N 139 120.835 120.835 119.666 1.169 18521 9536 1 10 . 1 1 139 139 ILE HA H 139 4.339 4.339 4.293 0.046 18521 9537 1 10 . 1 1 139 139 ILE C C 139 175.219 175.219 175.376 -0.157 18521 9538 1 10 . 1 1 139 139 ILE CA C 139 60.867 60.867 60.300 0.567 18521 9539 1 10 . 1 1 139 139 ILE CB C 139 40.270 40.270 39.865 0.405 18521 9540 1 10 . 1 1 139 139 ILE H H 139 7.138 7.138 7.223 -0.085 18521 9541 1 10 . 1 1 140 140 MET N N 140 123.319 123.319 122.444 0.875 18521 9542 1 10 . 1 1 140 140 MET HA H 140 4.324 4.324 4.494 -0.170 18521 9543 1 10 . 1 1 140 140 MET C C 140 177.931 177.931 177.094 0.837 18521 9544 1 10 . 1 1 140 140 MET CA C 140 58.511 58.511 55.330 3.181 18521 9545 1 10 . 1 1 140 140 MET CB C 140 65.156 65.156 64.353 0.803 18521 9546 1 10 . 1 1 140 140 MET H H 140 8.714 8.714 8.512 0.202 18521 9547 1 10 . 1 1 141 141 LEU N N 141 120.610 120.610 123.795 -3.185 18521 9548 1 10 . 1 1 141 141 LEU HA H 141 4.047 4.047 4.064 -0.017 18521 9549 1 10 . 1 1 141 141 LEU C C 141 177.281 177.281 178.742 -1.461 18521 9550 1 10 . 1 1 141 141 LEU CA C 141 58.362 58.362 58.448 -0.086 18521 9551 1 10 . 1 1 141 141 LEU H H 141 8.333 8.333 8.980 -0.647 18521 9552 1 10 . 1 1 142 142 ASP N N 142 121.268 121.268 120.689 0.579 18521 9553 1 10 . 1 1 142 142 ASP HA H 142 4.415 4.415 4.638 -0.223 18521 9554 1 10 . 1 1 142 142 ASP C C 142 175.916 175.916 178.254 -2.338 18521 9555 1 10 . 1 1 142 142 ASP CA C 142 54.678 54.678 58.754 -4.076 18521 9556 1 10 . 1 1 142 142 ASP CB C 142 68.329 68.329 68.612 -0.284 18521 9557 1 10 . 1 1 142 142 ASP H H 142 8.199 8.199 8.245 -0.046 18521 9558 1 10 . 1 1 143 143 LEU N N 143 120.218 120.218 122.839 -2.621 18521 9559 1 10 . 1 1 143 143 LEU HA H 143 4.108 4.108 4.008 0.100 18521 9560 1 10 . 1 1 143 143 LEU C C 143 176.205 176.205 178.707 -2.502 18521 9561 1 10 . 1 1 143 143 LEU CA C 143 57.314 57.314 58.381 -1.067 18521 9562 1 10 . 1 1 143 143 LEU CB C 143 39.700 39.700 41.872 -2.172 18521 9563 1 10 . 1 1 143 143 LEU H H 143 7.858 7.858 8.040 -0.182 18521 9564 1 10 . 1 1 144 144 ILE N N 144 121.582 121.582 125.060 -3.478 18521 9565 1 10 . 1 1 144 144 ILE HA H 144 4.083 4.083 3.763 0.320 18521 9566 1 10 . 1 1 144 144 ILE C C 144 177.130 177.130 177.842 -0.712 18521 9567 1 10 . 1 1 144 144 ILE CA C 144 60.697 60.697 66.584 -5.887 18521 9568 1 10 . 1 1 144 144 ILE CB C 144 38.565 38.565 37.725 0.840 18521 9569 1 10 . 1 1 144 144 ILE H H 144 7.948 7.948 8.122 -0.174 18521 9570 1 10 . 1 1 145 145 GLU N N 145 120.974 120.974 121.299 -0.325 18521 9571 1 10 . 1 1 145 145 GLU HA H 145 4.049 4.049 4.247 -0.198 18521 9572 1 10 . 1 1 145 145 GLU C C 145 179.664 179.664 178.886 0.778 18521 9573 1 10 . 1 1 145 145 GLU CA C 145 59.673 59.673 59.815 -0.142 18521 9574 1 10 . 1 1 145 145 GLU CB C 145 29.521 29.521 29.560 -0.039 18521 9575 1 10 . 1 1 145 145 GLU H H 145 7.869 7.869 7.895 -0.026 18521 9576 1 10 . 1 1 146 146 GLN N N 146 118.520 118.520 119.973 -1.453 18521 9577 1 10 . 1 1 146 146 GLN HA H 146 4.034 4.034 4.023 0.011 18521 9578 1 10 . 1 1 146 146 GLN C C 146 178.820 178.820 177.761 1.059 18521 9579 1 10 . 1 1 146 146 GLN CA C 146 58.720 58.720 58.804 -0.084 18521 9580 1 10 . 1 1 146 146 GLN CB C 146 29.312 29.312 28.500 0.812 18521 9581 1 10 . 1 1 146 146 GLN H H 146 8.407 8.407 7.513 0.894 18521 9582 1 10 . 1 1 147 147 GLY N N 147 108.998 108.998 109.840 -0.842 18521 9583 1 10 . 1 1 147 147 GLY HA H 147 3.471 3.471 3.795 -0.324 18521 9584 1 10 . 1 1 147 147 GLY C C 147 175.794 175.794 176.332 -0.538 18521 9585 1 10 . 1 1 147 147 GLY CA C 147 47.525 47.525 48.155 -0.630 18521 9586 1 10 . 1 1 147 147 GLY CB C 147 41.801 41.801 41.447 0.354 18521 9587 1 10 . 1 1 147 147 GLY H H 147 8.059 8.059 7.548 0.511 18521 9588 1 10 . 1 1 148 148 ASP N N 148 124.022 124.022 118.709 5.313 18521 9589 1 10 . 1 1 148 148 ASP HA H 148 4.342 4.342 4.143 0.199 18521 9590 1 10 . 1 1 148 148 ASP C C 148 175.607 175.607 178.526 -2.919 18521 9591 1 10 . 1 1 148 148 ASP CA C 148 57.252 57.252 57.448 -0.196 18521 9592 1 10 . 1 1 148 148 ASP CB C 148 39.918 39.918 40.357 -0.439 18521 9593 1 10 . 1 1 148 148 ASP H H 148 8.522 8.522 8.448 0.074 18521 9594 1 10 . 1 1 149 149 GLU N N 149 121.333 121.333 119.969 1.364 18521 9595 1 10 . 1 1 149 149 GLU HA H 149 4.008 4.008 3.960 0.048 18521 9596 1 10 . 1 1 149 149 GLU C C 149 175.652 175.652 178.796 -3.144 18521 9597 1 10 . 1 1 149 149 GLU CA C 149 59.394 59.394 59.647 -0.253 18521 9598 1 10 . 1 1 149 149 GLU CB C 149 32.048 32.048 32.250 -0.202 18521 9599 1 10 . 1 1 149 149 GLU H H 149 7.768 7.768 7.956 -0.188 18521 9600 1 10 . 1 1 150 150 LEU N N 150 120.820 120.820 119.243 1.577 18521 9601 1 10 . 1 1 150 150 LEU HA H 150 3.718 3.718 4.045 -0.327 18521 9602 1 10 . 1 1 150 150 LEU C C 150 179.476 179.476 179.603 -0.127 18521 9603 1 10 . 1 1 150 150 LEU CA C 150 57.656 57.656 57.789 -0.133 18521 9604 1 10 . 1 1 150 150 LEU CB C 150 28.936 28.936 29.722 -0.786 18521 9605 1 10 . 1 1 150 150 LEU H H 150 8.113 8.113 7.256 0.857 18521 9606 1 10 . 1 1 151 151 GLN N N 151 118.698 118.698 119.301 -0.603 18521 9607 1 10 . 1 1 151 151 GLN HA H 151 3.990 3.990 3.625 0.365 18521 9608 1 10 . 1 1 151 151 GLN C C 151 178.418 178.418 177.925 0.493 18521 9609 1 10 . 1 1 151 151 GLN CA C 151 58.570 58.570 59.550 -0.980 18521 9610 1 10 . 1 1 151 151 GLN CB C 151 38.409 38.409 37.486 0.923 18521 9611 1 10 . 1 1 151 151 GLN H H 151 8.282 8.282 7.776 0.506 18521 9612 1 10 . 1 1 152 152 GLU N N 152 120.750 120.750 119.865 0.885 18521 9613 1 10 . 1 1 152 152 GLU HA H 152 4.035 4.035 3.960 0.075 18521 9614 1 10 . 1 1 152 152 GLU C C 152 178.916 178.916 178.861 0.055 18521 9615 1 10 . 1 1 152 152 GLU CA C 152 59.223 59.223 59.351 -0.128 18521 9616 1 10 . 1 1 152 152 GLU CB C 152 29.322 29.322 29.206 0.116 18521 9617 1 10 . 1 1 152 152 GLU H H 152 7.499 7.499 8.426 -0.927 18521 9618 1 10 . 1 1 153 153 VAL N N 153 120.317 120.317 120.541 -0.224 18521 9619 1 10 . 1 1 153 153 VAL HA H 153 3.695 3.695 3.794 -0.099 18521 9620 1 10 . 1 1 153 153 VAL C C 153 178.846 178.846 178.133 0.713 18521 9621 1 10 . 1 1 153 153 VAL CA C 153 65.832 65.832 66.605 -0.773 18521 9622 1 10 . 1 1 153 153 VAL CB C 153 31.921 31.921 31.755 0.166 18521 9623 1 10 . 1 1 153 153 VAL H H 153 7.763 7.763 8.354 -0.591 18521 9624 1 10 . 1 1 154 154 LEU N N 154 121.374 121.374 119.490 1.884 18521 9625 1 10 . 1 1 154 154 LEU HA H 154 3.917 3.917 3.883 0.034 18521 9626 1 10 . 1 1 154 154 LEU C C 154 178.836 178.836 178.351 0.485 18521 9627 1 10 . 1 1 154 154 LEU CA C 154 57.439 57.439 59.775 -2.336 18521 9628 1 10 . 1 1 154 154 LEU CB C 154 41.797 41.797 41.770 0.027 18521 9629 1 10 . 1 1 154 154 LEU H H 154 7.731 7.731 7.992 -0.261 18521 9630 1 10 . 1 1 155 155 ALA N N 155 121.695 121.695 123.792 -2.097 18521 9631 1 10 . 1 1 155 155 ALA HA H 155 4.145 4.145 3.795 0.350 18521 9632 1 10 . 1 1 155 155 ALA C C 155 179.502 179.502 179.796 -0.294 18521 9633 1 10 . 1 1 155 155 ALA CA C 155 54.175 54.175 55.316 -1.141 18521 9634 1 10 . 1 1 155 155 ALA CB C 155 18.499 18.499 18.673 -0.174 18521 9635 1 10 . 1 1 155 155 ALA H H 155 7.896 7.896 7.675 0.221 18521 9636 1 10 . 1 1 156 156 MET N N 156 117.652 117.652 118.772 -1.120 18521 9637 1 10 . 1 1 156 156 MET HA H 156 4.228 4.228 3.955 0.273 18521 9638 1 10 . 1 1 156 156 MET C C 156 177.366 177.366 178.401 -1.035 18521 9639 1 10 . 1 1 156 156 MET CA C 156 57.306 57.306 59.330 -2.024 18521 9640 1 10 . 1 1 156 156 MET CB C 156 32.373 32.373 32.630 -0.257 18521 9641 1 10 . 1 1 156 156 MET H H 156 7.778 7.778 8.360 -0.582 18521 9642 1 10 . 1 1 157 157 ASN N N 157 117.853 117.853 117.121 0.732 18521 9643 1 10 . 1 1 157 157 ASN HA H 157 4.588 4.588 4.143 0.445 18521 9644 1 10 . 1 1 157 157 ASN C C 157 175.211 175.211 177.633 -2.422 18521 9645 1 10 . 1 1 157 157 ASN CA C 157 54.068 54.068 57.198 -3.130 18521 9646 1 10 . 1 1 157 157 ASN CB C 157 39.125 39.125 38.283 0.842 18521 9647 1 10 . 1 1 157 157 ASN H H 157 8.009 8.009 8.374 -0.365 18521 9648 1 10 . 1 1 158 158 ASN N N 158 117.684 117.684 117.143 0.541 18521 9649 1 10 . 1 1 158 158 ASN HA H 158 4.612 4.612 4.382 0.230 18521 9650 1 10 . 1 1 158 158 ASN C C 158 174.669 174.669 176.921 -2.252 18521 9651 1 10 . 1 1 158 158 ASN CA C 158 53.554 53.554 56.363 -2.809 18521 9652 1 10 . 1 1 158 158 ASN CB C 158 39.343 39.343 37.975 1.367 18521 9653 1 10 . 1 1 158 158 ASN H H 158 7.951 7.951 8.715 -0.764 18521 9654 1 10 . 1 1 159 159 ASN N N 159 119.399 119.399 117.142 2.257 18521 9655 1 10 . 1 1 159 159 ASN HA H 159 4.583 4.583 4.356 0.227 18521 9656 1 10 . 1 1 159 159 ASN C C 159 175.563 175.563 177.397 -1.834 18521 9657 1 10 . 1 1 159 159 ASN CA C 159 53.901 53.901 56.533 -2.632 18521 9658 1 10 . 1 1 159 159 ASN CB C 159 38.425 38.425 38.110 0.315 18521 9659 1 10 . 1 1 159 159 ASN H H 159 8.319 8.319 7.488 0.831 18521 9660 1 10 . 1 1 160 160 SER N N 160 115.453 115.453 117.355 -1.902 18521 9661 1 10 . 1 1 160 160 SER HA H 160 4.324 4.324 4.062 0.262 18521 9662 1 10 . 1 1 160 160 SER C C 160 174.952 174.952 176.842 -1.890 18521 9663 1 10 . 1 1 160 160 SER CA C 160 58.851 58.851 61.130 -2.279 18521 9664 1 10 . 1 1 160 160 SER CB C 160 63.704 63.704 62.870 0.834 18521 9665 1 10 . 1 1 160 160 SER H H 160 8.297 8.297 7.403 0.894 18521 9666 1 10 . 1 1 161 161 GLY N N 161 110.851 110.851 105.820 5.031 18521 9667 1 10 . 1 1 161 161 GLY HA H 161 4.146 4.146 4.037 0.109 18521 9668 1 10 . 1 1 161 161 GLY C C 161 173.974 173.974 176.807 -2.833 18521 9669 1 10 . 1 1 161 161 GLY CA C 161 45.348 45.348 47.810 -2.462 18521 9670 1 10 . 1 1 161 161 GLY CB C 161 42.245 42.245 41.902 0.343 18521 9671 1 10 . 1 1 161 161 GLY H H 161 8.328 8.328 8.084 0.244 18521 9672 1 10 . 1 1 162 162 GLU N N 162 120.859 120.859 117.110 3.749 18521 9673 1 10 . 1 1 162 162 GLU HA H 162 4.211 4.211 4.194 0.017 18521 9674 1 10 . 1 1 162 162 GLU C C 162 177.522 177.522 177.774 -0.252 18521 9675 1 10 . 1 1 162 162 GLU CA C 162 56.065 56.065 58.847 -2.782 18521 9676 1 10 . 1 1 162 162 GLU CB C 162 29.852 29.852 29.013 0.839 18521 9677 1 10 . 1 1 162 162 GLU H H 162 8.244 8.244 7.718 0.526 18521 9678 1 10 . 1 1 163 163 LEU N N 163 124.226 124.226 118.063 6.163 18521 9679 1 10 . 1 1 163 163 LEU HA H 163 3.889 3.889 4.261 -0.372 18521 9680 1 10 . 1 1 163 163 LEU C C 163 178.043 178.043 177.010 1.033 18521 9681 1 10 . 1 1 163 163 LEU CA C 163 57.163 57.163 54.807 2.356 18521 9682 1 10 . 1 1 163 163 LEU CB C 163 41.840 41.840 42.220 -0.380 18521 9683 1 10 . 1 1 163 163 LEU H H 163 8.337 8.337 7.730 0.607 18521 9684 1 10 . 1 1 164 164 ASP N N 164 116.994 116.994 118.882 -1.888 18521 9685 1 10 . 1 1 164 164 ASP HA H 164 4.327 4.327 4.274 0.053 18521 9686 1 10 . 1 1 164 164 ASP C C 164 176.423 176.423 176.661 -0.238 18521 9687 1 10 . 1 1 164 164 ASP CA C 164 55.427 55.427 54.538 0.889 18521 9688 1 10 . 1 1 164 164 ASP H H 164 8.188 8.188 7.814 0.374 18521 9689 1 10 . 1 1 165 165 ASP N N 165 118.967 118.967 118.673 0.294 18521 9690 1 10 . 1 1 165 165 ASP HA H 165 4.443 4.443 4.451 -0.008 18521 9691 1 10 . 1 1 165 165 ASP C C 165 175.654 175.654 176.208 -0.554 18521 9692 1 10 . 1 1 165 165 ASP CA C 165 54.707 54.707 54.836 -0.129 18521 9693 1 10 . 1 1 165 165 ASP CB C 165 40.973 40.973 41.207 -0.234 18521 9694 1 10 . 1 1 165 165 ASP H H 165 7.701 7.701 7.730 -0.029 18521 9695 1 10 . 1 1 166 166 ILE N N 166 122.002 122.002 119.521 2.481 18521 9696 1 10 . 1 1 166 166 ILE HA H 166 4.049 4.049 3.969 0.080 18521 9697 1 10 . 1 1 166 166 ILE C C 166 175.180 175.180 175.104 0.076 18521 9698 1 10 . 1 1 166 166 ILE CA C 166 60.396 60.396 59.727 0.669 18521 9699 1 10 . 1 1 166 166 ILE CB C 166 39.185 39.185 37.403 1.782 18521 9700 1 10 . 1 1 166 166 ILE H H 166 7.388 7.388 7.359 0.029 18521 9701 1 11 . 1 1 2 2 ALA N N 2 122.445 122.445 123.490 -1.045 18521 9702 1 11 . 1 1 2 2 ALA HA H 2 4.045 4.045 4.062 -0.017 18521 9703 1 11 . 1 1 2 2 ALA C C 2 179.992 179.992 179.370 0.622 18521 9704 1 11 . 1 1 2 2 ALA CA C 2 55.140 55.140 54.815 0.325 18521 9705 1 11 . 1 1 2 2 ALA CB C 2 18.482 18.482 18.442 0.040 18521 9706 1 11 . 1 1 2 2 ALA H H 2 8.545 8.545 8.688 -0.143 18521 9707 1 11 . 1 1 3 3 SER N N 3 115.544 115.544 114.062 1.482 18521 9708 1 11 . 1 1 3 3 SER HA H 3 4.030 4.030 4.116 -0.086 18521 9709 1 11 . 1 1 3 3 SER C C 3 176.584 176.584 176.738 -0.154 18521 9710 1 11 . 1 1 3 3 SER CA C 3 60.748 60.748 61.387 -0.639 18521 9711 1 11 . 1 1 3 3 SER CB C 3 62.416 62.416 62.567 -0.151 18521 9712 1 11 . 1 1 3 3 SER H H 3 8.009 8.009 8.465 -0.456 18521 9713 1 11 . 1 1 4 4 ASN N N 4 123.103 123.103 119.934 3.169 18521 9714 1 11 . 1 1 4 4 ASN HA H 4 4.318 4.318 4.463 -0.145 18521 9715 1 11 . 1 1 4 4 ASN C C 4 176.215 176.215 176.987 -0.772 18521 9716 1 11 . 1 1 4 4 ASN CA C 4 55.580 55.580 55.679 -0.099 18521 9717 1 11 . 1 1 4 4 ASN CB C 4 38.154 38.154 37.678 0.476 18521 9718 1 11 . 1 1 4 4 ASN H H 4 7.965 7.965 7.782 0.183 18521 9719 1 11 . 1 1 5 5 ALA N N 5 122.314 122.314 123.235 -0.921 18521 9720 1 11 . 1 1 5 5 ALA HA H 5 3.560 3.560 3.816 -0.256 18521 9721 1 11 . 1 1 5 5 ALA C C 5 178.543 178.543 178.806 -0.263 18521 9722 1 11 . 1 1 5 5 ALA CA C 5 55.774 55.774 54.990 0.784 18521 9723 1 11 . 1 1 5 5 ALA CB C 5 17.638 17.638 18.116 -0.478 18521 9724 1 11 . 1 1 5 5 ALA H H 5 8.721 8.721 7.548 1.173 18521 9725 1 11 . 1 1 6 6 ALA N N 6 117.886 117.886 121.303 -3.417 18521 9726 1 11 . 1 1 6 6 ALA HA H 6 3.784 3.784 3.975 -0.191 18521 9727 1 11 . 1 1 6 6 ALA C C 6 180.378 180.378 179.312 1.066 18521 9728 1 11 . 1 1 6 6 ALA CA C 6 55.240 55.240 54.983 0.257 18521 9729 1 11 . 1 1 6 6 ALA CB C 6 17.890 17.890 18.063 -0.173 18521 9730 1 11 . 1 1 6 6 ALA H H 6 7.891 7.891 7.450 0.441 18521 9731 1 11 . 1 1 7 7 ARG N N 7 120.992 120.992 119.076 1.916 18521 9732 1 11 . 1 1 7 7 ARG HA H 7 3.770 3.770 3.992 -0.222 18521 9733 1 11 . 1 1 7 7 ARG C C 7 179.531 179.531 178.643 0.888 18521 9734 1 11 . 1 1 7 7 ARG CA C 7 59.249 59.249 59.628 -0.379 18521 9735 1 11 . 1 1 7 7 ARG CB C 7 29.546 29.546 30.358 -0.812 18521 9736 1 11 . 1 1 7 7 ARG H H 7 7.503 7.503 7.970 -0.467 18521 9737 1 11 . 1 1 8 8 VAL N N 8 123.707 123.707 119.396 4.311 18521 9738 1 11 . 1 1 8 8 VAL HA H 8 3.285 3.285 3.805 -0.520 18521 9739 1 11 . 1 1 8 8 VAL C C 8 177.740 177.740 178.231 -0.491 18521 9740 1 11 . 1 1 8 8 VAL CA C 8 67.839 67.839 66.690 1.149 18521 9741 1 11 . 1 1 8 8 VAL CB C 8 31.516 31.516 31.223 0.293 18521 9742 1 11 . 1 1 8 8 VAL H H 8 8.176 8.176 8.307 -0.131 18521 9743 1 11 . 1 1 9 9 VAL N N 9 119.893 119.893 120.645 -0.752 18521 9744 1 11 . 1 1 9 9 VAL HA H 9 3.286 3.286 3.611 -0.325 18521 9745 1 11 . 1 1 9 9 VAL C C 9 177.535 177.535 177.866 -0.331 18521 9746 1 11 . 1 1 9 9 VAL CA C 9 67.549 67.549 66.515 1.034 18521 9747 1 11 . 1 1 9 9 VAL CB C 9 31.683 31.683 30.906 0.777 18521 9748 1 11 . 1 1 9 9 VAL H H 9 8.329 8.329 7.812 0.517 18521 9749 1 11 . 1 1 10 10 ALA N N 10 122.541 122.541 121.445 1.096 18521 9750 1 11 . 1 1 10 10 ALA HA H 10 3.971 3.971 4.083 -0.112 18521 9751 1 11 . 1 1 10 10 ALA C C 10 177.093 177.093 179.690 -2.597 18521 9752 1 11 . 1 1 10 10 ALA CA C 10 55.448 55.448 55.490 -0.042 18521 9753 1 11 . 1 1 10 10 ALA CB C 10 17.791 17.791 18.296 -0.505 18521 9754 1 11 . 1 1 10 10 ALA H H 10 7.802 7.802 8.583 -0.781 18521 9755 1 11 . 1 1 11 11 THR N N 11 116.946 116.946 115.683 1.263 18521 9756 1 11 . 1 1 11 11 THR HA H 11 3.821 3.821 3.931 -0.110 18521 9757 1 11 . 1 1 11 11 THR C C 11 175.702 175.702 176.567 -0.865 18521 9758 1 11 . 1 1 11 11 THR CA C 11 66.531 66.531 67.488 -0.957 18521 9759 1 11 . 1 1 11 11 THR CB C 11 68.493 68.493 68.818 -0.325 18521 9760 1 11 . 1 1 11 11 THR H H 11 8.187 8.187 8.641 -0.454 18521 9761 1 11 . 1 1 12 12 ALA N N 12 125.357 125.357 124.136 1.221 18521 9762 1 11 . 1 1 12 12 ALA HA H 12 4.003 4.003 4.098 -0.095 18521 9763 1 11 . 1 1 12 12 ALA C C 12 179.401 179.401 179.275 0.126 18521 9764 1 11 . 1 1 12 12 ALA CA C 12 56.083 56.083 55.355 0.728 18521 9765 1 11 . 1 1 12 12 ALA CB C 12 18.855 18.855 18.270 0.585 18521 9766 1 11 . 1 1 12 12 ALA H H 12 8.641 8.641 8.175 0.466 18521 9767 1 11 . 1 1 13 13 LYS N N 13 117.246 117.246 117.639 -0.393 18521 9768 1 11 . 1 1 13 13 LYS HA H 13 3.964 3.964 3.999 -0.035 18521 9769 1 11 . 1 1 13 13 LYS C C 13 180.132 180.132 178.301 1.831 18521 9770 1 11 . 1 1 13 13 LYS CA C 13 58.991 58.991 59.626 -0.635 18521 9771 1 11 . 1 1 13 13 LYS CB C 13 32.014 32.014 32.041 -0.027 18521 9772 1 11 . 1 1 13 13 LYS H H 13 7.961 7.961 7.627 0.334 18521 9773 1 11 . 1 1 14 14 ASP N N 14 122.162 122.162 119.727 2.435 18521 9774 1 11 . 1 1 14 14 ASP HA H 14 4.355 4.355 4.384 -0.029 18521 9775 1 11 . 1 1 14 14 ASP C C 14 179.394 179.394 178.345 1.049 18521 9776 1 11 . 1 1 14 14 ASP CA C 14 57.524 57.524 56.883 0.641 18521 9777 1 11 . 1 1 14 14 ASP CB C 14 39.984 39.984 40.285 -0.301 18521 9778 1 11 . 1 1 14 14 ASP H H 14 7.702 7.702 7.573 0.129 18521 9779 1 11 . 1 1 15 15 PHE N N 15 119.552 119.552 117.691 1.861 18521 9780 1 11 . 1 1 15 15 PHE HA H 15 4.307 4.307 4.244 0.063 18521 9781 1 11 . 1 1 15 15 PHE C C 15 178.383 178.383 177.900 0.483 18521 9782 1 11 . 1 1 15 15 PHE CA C 15 62.313 62.313 61.405 0.908 18521 9783 1 11 . 1 1 15 15 PHE CB C 15 37.340 37.340 38.843 -1.503 18521 9784 1 11 . 1 1 15 15 PHE H H 15 7.970 7.970 7.501 0.469 18521 9785 1 11 . 1 1 16 16 ASP N N 16 121.464 121.464 119.496 1.968 18521 9786 1 11 . 1 1 16 16 ASP HA H 16 4.016 4.016 4.528 -0.512 18521 9787 1 11 . 1 1 16 16 ASP C C 16 179.923 179.923 179.234 0.689 18521 9788 1 11 . 1 1 16 16 ASP CA C 16 58.030 58.030 57.233 0.798 18521 9789 1 11 . 1 1 16 16 ASP CB C 16 41.407 41.407 40.630 0.777 18521 9790 1 11 . 1 1 16 16 ASP H H 16 8.259 8.259 7.824 0.435 18521 9791 1 11 . 1 1 17 17 LYS N N 17 118.806 118.806 120.068 -1.262 18521 9792 1 11 . 1 1 17 17 LYS HA H 17 4.047 4.047 4.141 -0.094 18521 9793 1 11 . 1 1 17 17 LYS C C 17 178.432 178.432 177.827 0.605 18521 9794 1 11 . 1 1 17 17 LYS CA C 17 59.018 59.018 58.998 0.021 18521 9795 1 11 . 1 1 17 17 LYS CB C 17 32.592 32.592 32.663 -0.071 18521 9796 1 11 . 1 1 17 17 LYS H H 17 7.842 7.842 7.590 0.252 18521 9797 1 11 . 1 1 18 18 VAL N N 18 110.416 110.416 117.796 -7.380 18521 9798 1 11 . 1 1 18 18 VAL HA H 18 4.523 4.523 4.106 0.417 18521 9799 1 11 . 1 1 18 18 VAL C C 18 176.089 176.089 175.772 0.317 18521 9800 1 11 . 1 1 18 18 VAL CA C 18 60.797 60.797 62.376 -1.579 18521 9801 1 11 . 1 1 18 18 VAL CB C 18 31.194 31.194 31.734 -0.540 18521 9802 1 11 . 1 1 18 18 VAL H H 18 7.198 7.198 7.422 -0.224 18521 9803 1 11 . 1 1 19 19 GLY N N 19 109.008 109.008 108.007 1.001 18521 9804 1 11 . 1 1 19 19 GLY C C 19 175.070 175.070 174.714 0.356 18521 9805 1 11 . 1 1 19 19 GLY CA C 19 45.842 45.842 45.574 0.268 18521 9806 1 11 . 1 1 19 19 GLY H H 19 7.731 7.731 7.707 0.024 18521 9807 1 11 . 1 1 20 20 LEU N N 20 125.244 125.244 121.674 3.570 18521 9808 1 11 . 1 1 20 20 LEU HA H 20 4.938 4.938 4.617 0.321 18521 9809 1 11 . 1 1 20 20 LEU C C 20 177.890 177.890 177.855 0.035 18521 9810 1 11 . 1 1 20 20 LEU CA C 20 52.674 52.674 53.512 -0.838 18521 9811 1 11 . 1 1 20 20 LEU CB C 20 40.239 40.239 41.045 -0.806 18521 9812 1 11 . 1 1 20 20 LEU H H 20 8.102 8.102 8.576 -0.474 18521 9813 1 11 . 1 1 21 21 GLY N N 21 108.031 108.031 110.013 -1.982 18521 9814 1 11 . 1 1 21 21 GLY C C 21 176.174 176.174 176.033 0.141 18521 9815 1 11 . 1 1 21 21 GLY CA C 21 47.352 47.352 47.506 -0.154 18521 9816 1 11 . 1 1 21 21 GLY H H 21 8.046 8.046 8.767 -0.721 18521 9817 1 11 . 1 1 22 22 ILE N N 22 121.173 121.173 122.315 -1.142 18521 9818 1 11 . 1 1 22 22 ILE HA H 22 3.944 3.944 3.788 0.156 18521 9819 1 11 . 1 1 22 22 ILE C C 22 176.119 176.119 177.830 -1.711 18521 9820 1 11 . 1 1 22 22 ILE CA C 22 61.179 61.179 64.385 -3.206 18521 9821 1 11 . 1 1 22 22 ILE CB C 22 35.934 35.934 37.367 -1.433 18521 9822 1 11 . 1 1 22 22 ILE H H 22 8.395 8.395 7.901 0.494 18521 9823 1 11 . 1 1 23 23 ILE N N 23 120.647 120.647 119.819 0.828 18521 9824 1 11 . 1 1 23 23 ILE HA H 23 3.713 3.713 3.879 -0.166 18521 9825 1 11 . 1 1 23 23 ILE C C 23 178.458 178.458 178.783 -0.325 18521 9826 1 11 . 1 1 23 23 ILE CA C 23 64.266 64.266 62.216 2.050 18521 9827 1 11 . 1 1 23 23 ILE CB C 23 36.272 36.272 35.951 0.321 18521 9828 1 11 . 1 1 23 23 ILE H H 23 6.824 6.824 8.166 -1.342 18521 9829 1 11 . 1 1 24 24 GLY N N 24 103.326 103.326 107.976 -4.650 18521 9830 1 11 . 1 1 24 24 GLY C C 24 174.914 174.914 175.654 -0.740 18521 9831 1 11 . 1 1 24 24 GLY CA C 24 47.998 47.998 47.111 0.887 18521 9832 1 11 . 1 1 24 24 GLY H H 24 7.412 7.412 7.759 -0.347 18521 9833 1 11 . 1 1 25 25 TYR N N 25 124.188 124.188 124.051 0.137 18521 9834 1 11 . 1 1 25 25 TYR HA H 25 3.734 3.734 3.781 -0.047 18521 9835 1 11 . 1 1 25 25 TYR C C 25 176.055 176.055 177.214 -1.159 18521 9836 1 11 . 1 1 25 25 TYR CA C 25 60.962 60.962 60.792 0.170 18521 9837 1 11 . 1 1 25 25 TYR CB C 25 37.888 37.888 37.715 0.173 18521 9838 1 11 . 1 1 25 25 TYR H H 25 7.861 7.861 8.204 -0.343 18521 9839 1 11 . 1 1 26 26 TYR N N 26 117.390 117.390 117.247 0.143 18521 9840 1 11 . 1 1 26 26 TYR HA H 26 3.881 3.881 3.959 -0.078 18521 9841 1 11 . 1 1 26 26 TYR C C 26 178.653 178.653 177.984 0.669 18521 9842 1 11 . 1 1 26 26 TYR CA C 26 64.270 64.270 62.300 1.970 18521 9843 1 11 . 1 1 26 26 TYR CB C 26 37.453 37.453 38.163 -0.710 18521 9844 1 11 . 1 1 26 26 TYR H H 26 7.594 7.594 7.502 0.092 18521 9845 1 11 . 1 1 27 27 LEU N N 27 118.536 118.536 119.508 -0.972 18521 9846 1 11 . 1 1 27 27 LEU HA H 27 4.277 4.277 3.826 0.451 18521 9847 1 11 . 1 1 27 27 LEU C C 27 179.025 179.025 178.958 0.067 18521 9848 1 11 . 1 1 27 27 LEU CA C 27 58.382 58.382 58.145 0.236 18521 9849 1 11 . 1 1 27 27 LEU CB C 27 42.595 42.595 41.097 1.498 18521 9850 1 11 . 1 1 27 27 LEU H H 27 8.226 8.226 7.772 0.454 18521 9851 1 11 . 1 1 28 28 GLN N N 28 119.110 119.110 117.967 1.143 18521 9852 1 11 . 1 1 28 28 GLN HA H 28 3.665 3.665 3.828 -0.163 18521 9853 1 11 . 1 1 28 28 GLN C C 28 177.406 177.406 178.419 -1.013 18521 9854 1 11 . 1 1 28 28 GLN CA C 28 60.626 60.626 58.941 1.685 18521 9855 1 11 . 1 1 28 28 GLN CB C 28 28.959 28.959 28.527 0.432 18521 9856 1 11 . 1 1 28 28 GLN H H 28 8.007 8.007 8.264 -0.257 18521 9857 1 11 . 1 1 29 29 LEU N N 29 121.623 121.623 120.761 0.862 18521 9858 1 11 . 1 1 29 29 LEU HA H 29 3.718 3.718 3.865 -0.147 18521 9859 1 11 . 1 1 29 29 LEU C C 29 179.706 179.706 178.029 1.677 18521 9860 1 11 . 1 1 29 29 LEU CA C 29 58.382 58.382 57.518 0.864 18521 9861 1 11 . 1 1 29 29 LEU CB C 29 42.114 42.114 41.466 0.648 18521 9862 1 11 . 1 1 29 29 LEU H H 29 7.938 7.938 7.236 0.702 18521 9863 1 11 . 1 1 30 30 TYR N N 30 120.084 120.084 120.487 -0.403 18521 9864 1 11 . 1 1 30 30 TYR HA H 30 4.132 4.132 3.881 0.251 18521 9865 1 11 . 1 1 30 30 TYR C C 30 175.611 175.611 176.959 -1.348 18521 9866 1 11 . 1 1 30 30 TYR CA C 30 58.951 58.951 59.643 -0.692 18521 9867 1 11 . 1 1 30 30 TYR CB C 30 39.302 39.302 37.681 1.621 18521 9868 1 11 . 1 1 30 30 TYR H H 30 7.974 7.974 7.889 0.085 18521 9869 1 11 . 1 1 31 31 ALA N N 31 121.802 121.802 121.486 0.316 18521 9870 1 11 . 1 1 31 31 ALA HA H 31 3.343 3.343 3.436 -0.093 18521 9871 1 11 . 1 1 31 31 ALA C C 31 178.911 178.911 179.010 -0.099 18521 9872 1 11 . 1 1 31 31 ALA CA C 31 55.429 55.429 54.843 0.586 18521 9873 1 11 . 1 1 31 31 ALA CB C 31 17.895 17.895 18.046 -0.151 18521 9874 1 11 . 1 1 31 31 ALA H H 31 8.504 8.504 7.955 0.549 18521 9875 1 11 . 1 1 32 32 VAL N N 32 116.528 116.528 118.784 -2.256 18521 9876 1 11 . 1 1 32 32 VAL HA H 32 3.249 3.249 3.327 -0.078 18521 9877 1 11 . 1 1 32 32 VAL C C 32 176.963 176.963 177.851 -0.888 18521 9878 1 11 . 1 1 32 32 VAL CA C 32 67.723 67.723 67.104 0.619 18521 9879 1 11 . 1 1 32 32 VAL CB C 32 31.403 31.403 31.722 -0.319 18521 9880 1 11 . 1 1 32 32 VAL H H 32 8.027 8.027 7.548 0.479 18521 9881 1 11 . 1 1 33 33 GLU N N 33 118.609 118.609 119.192 -0.583 18521 9882 1 11 . 1 1 33 33 GLU HA H 33 3.804 3.804 3.966 -0.162 18521 9883 1 11 . 1 1 33 33 GLU C C 33 180.234 180.234 179.078 1.156 18521 9884 1 11 . 1 1 33 33 GLU CA C 33 59.446 59.446 59.207 0.239 18521 9885 1 11 . 1 1 33 33 GLU CB C 33 28.711 28.711 29.509 -0.798 18521 9886 1 11 . 1 1 33 33 GLU H H 33 7.299 7.299 7.497 -0.198 18521 9887 1 11 . 1 1 34 34 LEU N N 34 120.831 120.831 121.987 -1.156 18521 9888 1 11 . 1 1 34 34 LEU HA H 34 3.702 3.702 3.891 -0.189 18521 9889 1 11 . 1 1 34 34 LEU C C 34 180.024 180.024 179.248 0.776 18521 9890 1 11 . 1 1 34 34 LEU CA C 34 57.815 57.815 58.055 -0.240 18521 9891 1 11 . 1 1 34 34 LEU CB C 34 42.097 42.097 41.672 0.424 18521 9892 1 11 . 1 1 34 34 LEU H H 34 8.168 8.168 7.753 0.415 18521 9893 1 11 . 1 1 35 35 ILE N N 35 120.733 120.733 119.917 0.816 18521 9894 1 11 . 1 1 35 35 ILE HA H 35 3.589 3.589 3.620 -0.031 18521 9895 1 11 . 1 1 35 35 ILE C C 35 178.501 178.501 178.654 -0.153 18521 9896 1 11 . 1 1 35 35 ILE CA C 35 65.363 65.363 65.337 0.026 18521 9897 1 11 . 1 1 35 35 ILE CB C 35 38.960 38.960 37.955 1.005 18521 9898 1 11 . 1 1 35 35 ILE H H 35 8.064 8.064 7.853 0.211 18521 9899 1 11 . 1 1 36 36 LEU N N 36 115.519 115.519 119.031 -3.512 18521 9900 1 11 . 1 1 36 36 LEU HA H 36 3.958 3.958 4.011 -0.053 18521 9901 1 11 . 1 1 36 36 LEU C C 36 178.244 178.244 178.317 -0.073 18521 9902 1 11 . 1 1 36 36 LEU CA C 36 56.069 56.069 57.385 -1.316 18521 9903 1 11 . 1 1 36 36 LEU CB C 36 40.528 40.528 41.685 -1.157 18521 9904 1 11 . 1 1 36 36 LEU H H 36 8.370 8.370 7.593 0.777 18521 9905 1 11 . 1 1 37 37 SER N N 37 113.976 113.976 111.193 2.783 18521 9906 1 11 . 1 1 37 37 SER HA H 37 4.197 4.197 4.282 -0.085 18521 9907 1 11 . 1 1 37 37 SER C C 37 173.934 173.934 174.541 -0.607 18521 9908 1 11 . 1 1 37 37 SER CA C 37 60.204 60.204 59.712 0.492 18521 9909 1 11 . 1 1 37 37 SER CB C 37 63.507 63.507 63.543 -0.036 18521 9910 1 11 . 1 1 37 37 SER H H 37 7.523 7.523 7.977 -0.454 18521 9911 1 11 . 1 1 38 38 GLU N N 38 123.219 123.219 122.416 0.803 18521 9912 1 11 . 1 1 38 38 GLU HA H 38 4.426 4.426 4.355 0.071 18521 9913 1 11 . 1 1 38 38 GLU C C 38 175.767 175.767 176.024 -0.257 18521 9914 1 11 . 1 1 38 38 GLU CA C 38 55.046 55.046 56.026 -0.980 18521 9915 1 11 . 1 1 38 38 GLU CB C 38 30.395 30.395 30.456 -0.061 18521 9916 1 11 . 1 1 38 38 GLU H H 38 7.185 7.185 7.533 -0.348 18521 9917 1 11 . 1 1 39 39 GLU N N 39 126.955 126.955 124.238 2.717 18521 9918 1 11 . 1 1 39 39 GLU HA H 39 3.985 3.985 4.095 -0.110 18521 9919 1 11 . 1 1 39 39 GLU C C 39 176.861 176.861 176.029 0.832 18521 9920 1 11 . 1 1 39 39 GLU CA C 39 58.331 58.331 58.486 -0.155 18521 9921 1 11 . 1 1 39 39 GLU CB C 39 30.008 30.008 29.796 0.212 18521 9922 1 11 . 1 1 39 39 GLU H H 39 8.632 8.632 8.617 0.015 18521 9923 1 11 . 1 1 40 40 ASP N N 40 119.763 119.763 120.000 -0.237 18521 9924 1 11 . 1 1 40 40 ASP HA H 40 4.616 4.616 4.678 -0.062 18521 9925 1 11 . 1 1 40 40 ASP C C 40 174.989 174.989 175.599 -0.610 18521 9926 1 11 . 1 1 40 40 ASP CA C 40 53.281 53.281 54.024 -0.743 18521 9927 1 11 . 1 1 40 40 ASP CB C 40 39.814 39.814 40.841 -1.027 18521 9928 1 11 . 1 1 40 40 ASP H H 40 8.560 8.560 8.149 0.411 18521 9929 1 11 . 1 1 41 41 ARG N N 41 119.595 119.595 121.726 -2.131 18521 9930 1 11 . 1 1 41 41 ARG HA H 41 4.390 4.390 4.568 -0.178 18521 9931 1 11 . 1 1 41 41 ARG C C 41 175.553 175.553 174.753 0.800 18521 9932 1 11 . 1 1 41 41 ARG CA C 41 54.707 54.707 55.132 -0.425 18521 9933 1 11 . 1 1 41 41 ARG CB C 41 31.865 31.865 33.719 -1.854 18521 9934 1 11 . 1 1 41 41 ARG H H 41 7.443 7.443 8.481 -1.038 18521 9935 1 11 . 1 1 42 42 SER N N 42 119.463 119.463 117.487 1.976 18521 9936 1 11 . 1 1 42 42 SER HA H 42 4.381 4.381 4.690 -0.309 18521 9937 1 11 . 1 1 42 42 SER C C 42 175.361 175.361 174.952 0.409 18521 9938 1 11 . 1 1 42 42 SER CA C 42 57.137 57.137 56.191 0.946 18521 9939 1 11 . 1 1 42 42 SER CB C 42 65.166 65.166 64.874 0.292 18521 9940 1 11 . 1 1 42 42 SER H H 42 8.556 8.556 8.407 0.149 18521 9941 1 11 . 1 1 43 43 GLN N N 43 122.535 122.535 124.163 -1.628 18521 9942 1 11 . 1 1 43 43 GLN HA H 43 4.018 4.018 3.991 0.027 18521 9943 1 11 . 1 1 43 43 GLN C C 43 178.768 178.768 177.602 1.166 18521 9944 1 11 . 1 1 43 43 GLN CA C 43 59.073 59.073 60.021 -0.948 18521 9945 1 11 . 1 1 43 43 GLN CB C 43 27.871 27.871 28.730 -0.859 18521 9946 1 11 . 1 1 43 43 GLN H H 43 9.087 9.087 9.008 0.079 18521 9947 1 11 . 1 1 44 44 GLU N N 44 120.308 120.308 119.299 1.009 18521 9948 1 11 . 1 1 44 44 GLU HA H 44 3.982 3.982 4.083 -0.101 18521 9949 1 11 . 1 1 44 44 GLU C C 44 179.737 179.737 178.811 0.926 18521 9950 1 11 . 1 1 44 44 GLU CA C 44 60.142 60.142 59.341 0.801 18521 9951 1 11 . 1 1 44 44 GLU CB C 44 28.801 28.801 29.248 -0.447 18521 9952 1 11 . 1 1 44 44 GLU H H 44 8.958 8.958 8.027 0.931 18521 9953 1 11 . 1 1 45 45 MET N N 45 120.968 120.968 118.450 2.518 18521 9954 1 11 . 1 1 45 45 MET HA H 45 4.432 4.432 4.191 0.241 18521 9955 1 11 . 1 1 45 45 MET C C 45 178.153 178.153 178.713 -0.560 18521 9956 1 11 . 1 1 45 45 MET CA C 45 57.117 57.117 58.913 -1.796 18521 9957 1 11 . 1 1 45 45 MET CB C 45 32.517 32.517 32.548 -0.031 18521 9958 1 11 . 1 1 45 45 MET H H 45 7.740 7.740 7.940 -0.200 18521 9959 1 11 . 1 1 46 46 THR N N 46 120.159 120.159 116.438 3.721 18521 9960 1 11 . 1 1 46 46 THR HA H 46 3.620 3.620 3.901 -0.281 18521 9961 1 11 . 1 1 46 46 THR C C 46 176.389 176.389 176.323 0.066 18521 9962 1 11 . 1 1 46 46 THR CA C 46 67.416 67.416 66.896 0.520 18521 9963 1 11 . 1 1 46 46 THR CB C 46 68.208 68.208 68.743 -0.535 18521 9964 1 11 . 1 1 46 46 THR H H 46 8.190 8.190 8.516 -0.326 18521 9965 1 11 . 1 1 47 47 ALA N N 47 124.729 124.729 123.948 0.781 18521 9966 1 11 . 1 1 47 47 ALA HA H 47 4.060 4.060 4.134 -0.074 18521 9967 1 11 . 1 1 47 47 ALA C C 47 179.554 179.554 179.100 0.454 18521 9968 1 11 . 1 1 47 47 ALA CA C 47 55.195 55.195 54.792 0.403 18521 9969 1 11 . 1 1 47 47 ALA CB C 47 17.654 17.654 18.396 -0.742 18521 9970 1 11 . 1 1 47 47 ALA H H 47 8.292 8.292 7.936 0.356 18521 9971 1 11 . 1 1 48 48 LEU N N 48 122.244 122.244 120.841 1.403 18521 9972 1 11 . 1 1 48 48 LEU HA H 48 4.195 4.195 4.059 0.136 18521 9973 1 11 . 1 1 48 48 LEU C C 48 178.022 178.022 178.453 -0.431 18521 9974 1 11 . 1 1 48 48 LEU CA C 48 57.695 57.695 57.434 0.261 18521 9975 1 11 . 1 1 48 48 LEU CB C 48 41.236 41.236 41.678 -0.442 18521 9976 1 11 . 1 1 48 48 LEU H H 48 7.723 7.723 7.890 -0.167 18521 9977 1 11 . 1 1 49 49 ALA N N 49 120.883 120.883 120.328 0.555 18521 9978 1 11 . 1 1 49 49 ALA HA H 49 3.854 3.854 3.888 -0.034 18521 9979 1 11 . 1 1 49 49 ALA C C 49 178.770 178.770 179.355 -0.585 18521 9980 1 11 . 1 1 49 49 ALA CA C 49 55.836 55.836 55.176 0.660 18521 9981 1 11 . 1 1 49 49 ALA CB C 49 17.137 17.137 18.124 -0.987 18521 9982 1 11 . 1 1 49 49 ALA H H 49 8.210 8.210 7.959 0.251 18521 9983 1 11 . 1 1 50 50 THR N N 50 113.676 113.676 114.737 -1.061 18521 9984 1 11 . 1 1 50 50 THR HA H 50 3.765 3.765 3.906 -0.141 18521 9985 1 11 . 1 1 50 50 THR C C 50 175.836 175.836 176.290 -0.454 18521 9986 1 11 . 1 1 50 50 THR CA C 50 66.975 66.975 67.651 -0.676 18521 9987 1 11 . 1 1 50 50 THR CB C 50 68.976 68.976 68.372 0.604 18521 9988 1 11 . 1 1 50 50 THR H H 50 7.891 7.891 7.502 0.389 18521 9989 1 11 . 1 1 51 51 GLU N N 51 123.445 123.445 122.578 0.867 18521 9990 1 11 . 1 1 51 51 GLU HA H 51 4.221 4.221 4.040 0.181 18521 9991 1 11 . 1 1 51 51 GLU C C 51 179.906 179.906 178.727 1.179 18521 9992 1 11 . 1 1 51 51 GLU CA C 51 59.436 59.436 59.184 0.252 18521 9993 1 11 . 1 1 51 51 GLU CB C 51 29.498 29.498 29.543 -0.045 18521 9994 1 11 . 1 1 51 51 GLU H H 51 7.877 7.877 7.649 0.228 18521 9995 1 11 . 1 1 52 52 LEU N N 52 121.629 121.629 119.384 2.245 18521 9996 1 11 . 1 1 52 52 LEU HA H 52 3.907 3.907 4.014 -0.107 18521 9997 1 11 . 1 1 52 52 LEU C C 52 178.993 178.993 179.104 -0.111 18521 9998 1 11 . 1 1 52 52 LEU CA C 52 57.840 57.840 57.638 0.202 18521 9999 1 11 . 1 1 52 52 LEU CB C 52 42.076 42.076 41.821 0.255 18521 10000 1 11 . 1 1 52 52 LEU H H 52 8.670 8.670 7.543 1.127 18521 10001 1 11 . 1 1 53 53 LEU N N 53 119.996 119.996 119.864 0.132 18521 10002 1 11 . 1 1 53 53 LEU HA H 53 3.949 3.949 3.793 0.156 18521 10003 1 11 . 1 1 53 53 LEU C C 53 179.950 179.950 178.997 0.953 18521 10004 1 11 . 1 1 53 53 LEU CA C 53 58.480 58.480 58.056 0.424 18521 10005 1 11 . 1 1 53 53 LEU CB C 53 41.341 41.341 41.041 0.300 18521 10006 1 11 . 1 1 53 53 LEU H H 53 8.336 8.336 7.560 0.776 18521 10007 1 11 . 1 1 54 54 ASP N N 54 120.632 120.632 119.492 1.140 18521 10008 1 11 . 1 1 54 54 ASP HA H 54 4.409 4.409 4.487 -0.078 18521 10009 1 11 . 1 1 54 54 ASP C C 54 179.383 179.383 179.022 0.361 18521 10010 1 11 . 1 1 54 54 ASP CA C 54 57.510 57.510 57.454 0.056 18521 10011 1 11 . 1 1 54 54 ASP CB C 54 40.275 40.275 40.123 0.152 18521 10012 1 11 . 1 1 54 54 ASP H H 54 7.884 7.884 7.758 0.126 18521 10013 1 11 . 1 1 55 55 THR N N 55 121.006 121.006 118.119 2.887 18521 10014 1 11 . 1 1 55 55 THR HA H 55 3.923 3.923 4.077 -0.154 18521 10015 1 11 . 1 1 55 55 THR C C 55 177.066 177.066 176.718 0.348 18521 10016 1 11 . 1 1 55 55 THR CA C 55 67.018 67.018 67.219 -0.201 18521 10017 1 11 . 1 1 55 55 THR CB C 55 68.725 68.725 68.848 -0.123 18521 10018 1 11 . 1 1 55 55 THR H H 55 8.279 8.279 7.492 0.787 18521 10019 1 11 . 1 1 56 56 ILE N N 56 125.465 125.465 122.831 2.634 18521 10020 1 11 . 1 1 56 56 ILE HA H 56 3.748 3.748 3.825 -0.077 18521 10021 1 11 . 1 1 56 56 ILE C C 56 177.879 177.879 177.815 0.064 18521 10022 1 11 . 1 1 56 56 ILE CA C 56 65.765 65.765 66.427 -0.662 18521 10023 1 11 . 1 1 56 56 ILE CB C 56 38.646 38.646 37.802 0.844 18521 10024 1 11 . 1 1 56 56 ILE H H 56 8.872 8.872 8.401 0.471 18521 10025 1 11 . 1 1 57 57 GLU N N 57 119.951 119.951 120.058 -0.107 18521 10026 1 11 . 1 1 57 57 GLU HA H 57 4.034 4.034 3.949 0.085 18521 10027 1 11 . 1 1 57 57 GLU C C 57 179.357 179.357 178.795 0.562 18521 10028 1 11 . 1 1 57 57 GLU CA C 57 59.241 59.241 59.729 -0.488 18521 10029 1 11 . 1 1 57 57 GLU CB C 57 29.226 29.226 29.747 -0.521 18521 10030 1 11 . 1 1 57 57 GLU H H 57 8.024 8.024 8.217 -0.193 18521 10031 1 11 . 1 1 58 58 ALA N N 58 122.402 122.402 122.301 0.101 18521 10032 1 11 . 1 1 58 58 ALA HA H 58 4.044 4.044 4.117 -0.073 18521 10033 1 11 . 1 1 58 58 ALA C C 58 180.049 180.049 179.608 0.441 18521 10034 1 11 . 1 1 58 58 ALA CA C 58 55.167 55.167 55.036 0.131 18521 10035 1 11 . 1 1 58 58 ALA CB C 58 17.836 17.836 18.257 -0.421 18521 10036 1 11 . 1 1 58 58 ALA H H 58 8.026 8.026 8.208 -0.182 18521 10037 1 11 . 1 1 59 59 PHE N N 59 122.034 122.034 119.688 2.346 18521 10038 1 11 . 1 1 59 59 PHE HA H 59 4.165 4.165 4.091 0.074 18521 10039 1 11 . 1 1 59 59 PHE C C 59 177.169 177.169 177.166 0.003 18521 10040 1 11 . 1 1 59 59 PHE CA C 59 61.373 61.373 61.564 -0.191 18521 10041 1 11 . 1 1 59 59 PHE CB C 59 39.384 39.384 39.555 -0.171 18521 10042 1 11 . 1 1 59 59 PHE H H 59 8.243 8.243 8.842 -0.599 18521 10043 1 11 . 1 1 60 60 LYS N N 60 117.415 117.415 119.398 -1.983 18521 10044 1 11 . 1 1 60 60 LYS HA H 60 3.490 3.490 3.635 -0.145 18521 10045 1 11 . 1 1 60 60 LYS C C 60 179.705 179.705 178.361 1.344 18521 10046 1 11 . 1 1 60 60 LYS CA C 60 60.051 60.051 59.305 0.746 18521 10047 1 11 . 1 1 60 60 LYS CB C 60 32.376 32.376 32.409 -0.033 18521 10048 1 11 . 1 1 60 60 LYS H H 60 7.978 7.978 8.678 -0.700 18521 10049 1 11 . 1 1 61 61 LYS N N 61 119.540 119.540 118.801 0.739 18521 10050 1 11 . 1 1 61 61 LYS HA H 61 3.942 3.942 3.982 -0.040 18521 10051 1 11 . 1 1 61 61 LYS C C 61 178.728 178.728 179.005 -0.277 18521 10052 1 11 . 1 1 61 61 LYS CA C 61 58.878 58.878 59.371 -0.493 18521 10053 1 11 . 1 1 61 61 LYS CB C 61 32.626 32.626 32.286 0.340 18521 10054 1 11 . 1 1 61 61 LYS H H 61 7.853 7.853 7.912 -0.059 18521 10055 1 11 . 1 1 62 62 GLU N N 62 121.166 121.166 115.832 5.334 18521 10056 1 11 . 1 1 62 62 GLU HA H 62 3.933 3.933 4.031 -0.098 18521 10057 1 11 . 1 1 62 62 GLU C C 62 178.405 178.405 177.447 0.958 18521 10058 1 11 . 1 1 62 62 GLU CA C 62 58.655 58.655 58.436 0.219 18521 10059 1 11 . 1 1 62 62 GLU CB C 62 29.439 29.439 29.753 -0.314 18521 10060 1 11 . 1 1 62 62 GLU H H 62 7.956 7.956 7.509 0.447 18521 10061 1 11 . 1 1 63 63 ILE N N 63 117.896 117.896 116.881 1.015 18521 10062 1 11 . 1 1 63 63 ILE HA H 63 3.707 3.707 4.209 -0.502 18521 10063 1 11 . 1 1 63 63 ILE C C 63 177.438 177.438 176.554 0.884 18521 10064 1 11 . 1 1 63 63 ILE CA C 63 61.473 61.473 60.333 1.140 18521 10065 1 11 . 1 1 63 63 ILE CB C 63 36.546 36.546 39.017 -2.471 18521 10066 1 11 . 1 1 63 63 ILE H H 63 7.652 7.652 7.205 0.447 18521 10067 1 11 . 1 1 64 64 GLY N N 64 108.028 108.028 109.553 -1.525 18521 10068 1 11 . 1 1 64 64 GLY C C 64 175.261 175.261 175.040 0.221 18521 10069 1 11 . 1 1 64 64 GLY CA C 64 45.891 45.891 47.007 -1.116 18521 10070 1 11 . 1 1 64 64 GLY H H 64 7.654 7.654 8.247 -0.593 18521 10071 1 11 . 1 1 65 65 GLY N N 65 108.488 108.488 107.135 1.353 18521 10072 1 11 . 1 1 65 65 GLY C C 65 174.844 174.844 175.503 -0.659 18521 10073 1 11 . 1 1 65 65 GLY CA C 65 45.608 45.608 45.273 0.335 18521 10074 1 11 . 1 1 65 65 GLY H H 65 7.817 7.817 8.221 -0.404 18521 10075 1 11 . 1 1 66 66 GLU N N 66 121.078 121.078 118.856 2.222 18521 10076 1 11 . 1 1 66 66 GLU HA H 66 4.167 4.167 4.145 0.022 18521 10077 1 11 . 1 1 66 66 GLU C C 66 177.218 177.218 177.091 0.127 18521 10078 1 11 . 1 1 66 66 GLU CA C 66 57.075 57.075 58.669 -1.594 18521 10079 1 11 . 1 1 66 66 GLU CB C 66 30.015 30.015 29.682 0.333 18521 10080 1 11 . 1 1 66 66 GLU H H 66 8.195 8.195 8.803 -0.608 18521 10081 1 11 . 1 1 67 67 SER N N 67 116.370 116.370 110.581 5.789 18521 10082 1 11 . 1 1 67 67 SER HA H 67 4.187 4.187 4.523 -0.336 18521 10083 1 11 . 1 1 67 67 SER C C 67 174.670 174.670 175.755 -1.085 18521 10084 1 11 . 1 1 67 67 SER CA C 67 58.875 58.875 59.177 -0.302 18521 10085 1 11 . 1 1 67 67 SER CB C 67 63.783 63.783 64.586 -0.803 18521 10086 1 11 . 1 1 67 67 SER H H 67 8.205 8.205 8.131 0.074 18521 10087 1 11 . 1 1 68 68 GLU N N 68 122.388 122.388 123.686 -1.298 18521 10088 1 11 . 1 1 68 68 GLU HA H 68 4.173 4.173 4.140 0.033 18521 10089 1 11 . 1 1 68 68 GLU C C 68 176.364 176.364 178.117 -1.753 18521 10090 1 11 . 1 1 68 68 GLU CA C 68 56.734 56.734 58.923 -2.189 18521 10091 1 11 . 1 1 68 68 GLU CB C 68 29.986 29.986 29.218 0.768 18521 10092 1 11 . 1 1 68 68 GLU H H 68 8.170 8.170 8.810 -0.640 18521 10093 1 11 . 1 1 69 69 ALA N N 69 124.265 124.265 121.393 2.872 18521 10094 1 11 . 1 1 69 69 ALA HA H 69 4.212 4.212 4.293 -0.081 18521 10095 1 11 . 1 1 69 69 ALA C C 69 178.042 178.042 178.749 -0.707 18521 10096 1 11 . 1 1 69 69 ALA CA C 69 52.468 52.468 54.554 -2.086 18521 10097 1 11 . 1 1 69 69 ALA CB C 69 19.411 19.411 18.240 1.171 18521 10098 1 11 . 1 1 69 69 ALA H H 69 7.931 7.931 8.165 -0.234 18521 10099 1 11 . 1 1 70 70 GLU N N 70 121.086 121.086 117.350 3.736 18521 10100 1 11 . 1 1 70 70 GLU HA H 70 4.110 4.110 3.967 0.143 18521 10101 1 11 . 1 1 70 70 GLU C C 70 180.047 180.047 178.167 1.880 18521 10102 1 11 . 1 1 70 70 GLU CA C 70 57.325 57.325 59.018 -1.693 18521 10103 1 11 . 1 1 70 70 GLU CB C 70 29.969 29.969 29.529 0.441 18521 10104 1 11 . 1 1 70 70 GLU H H 70 8.447 8.447 7.810 0.637 18521 10105 1 11 . 1 1 71 71 ASP N N 71 120.210 120.210 118.272 1.938 18521 10106 1 11 . 1 1 71 71 ASP HA H 71 4.545 4.545 4.487 0.058 18521 10107 1 11 . 1 1 71 71 ASP C C 71 176.385 176.385 176.674 -0.289 18521 10108 1 11 . 1 1 71 71 ASP CA C 71 54.149 54.149 56.299 -2.150 18521 10109 1 11 . 1 1 71 71 ASP CB C 71 40.756 40.756 41.300 -0.543 18521 10110 1 11 . 1 1 71 71 ASP H H 71 8.308 8.308 7.639 0.669 18521 10111 1 11 . 1 1 72 72 SER N N 72 116.137 116.137 113.187 2.950 18521 10112 1 11 . 1 1 72 72 SER HA H 72 4.259 4.259 4.630 -0.371 18521 10113 1 11 . 1 1 72 72 SER C C 72 174.578 174.578 173.036 1.542 18521 10114 1 11 . 1 1 72 72 SER CA C 72 58.851 58.851 57.712 1.139 18521 10115 1 11 . 1 1 72 72 SER CB C 72 63.870 63.870 63.847 0.023 18521 10116 1 11 . 1 1 72 72 SER H H 72 7.954 7.954 7.836 0.118 18521 10117 1 11 . 1 1 73 73 ASP N N 73 122.500 122.500 123.743 -1.243 18521 10118 1 11 . 1 1 73 73 ASP HA H 73 4.534 4.534 4.669 -0.135 18521 10119 1 11 . 1 1 73 73 ASP C C 73 176.903 176.903 176.151 0.752 18521 10120 1 11 . 1 1 73 73 ASP CA C 73 54.442 54.442 54.806 -0.364 18521 10121 1 11 . 1 1 73 73 ASP CB C 73 41.253 41.253 40.533 0.720 18521 10122 1 11 . 1 1 73 73 ASP H H 73 8.384 8.384 8.800 -0.416 18521 10123 1 11 . 1 1 74 74 LYS N N 74 123.374 123.374 120.428 2.946 18521 10124 1 11 . 1 1 74 74 LYS HA H 74 4.099 4.099 4.249 -0.150 18521 10125 1 11 . 1 1 74 74 LYS C C 74 177.606 177.606 178.482 -0.876 18521 10126 1 11 . 1 1 74 74 LYS CA C 74 57.527 57.527 57.930 -0.403 18521 10127 1 11 . 1 1 74 74 LYS CB C 74 32.115 32.115 32.818 -0.703 18521 10128 1 11 . 1 1 74 74 LYS H H 74 8.338 8.338 7.921 0.417 18521 10129 1 11 . 1 1 75 75 SER N N 75 116.404 116.404 116.545 -0.141 18521 10130 1 11 . 1 1 75 75 SER HA H 75 4.190 4.190 4.294 -0.104 18521 10131 1 11 . 1 1 75 75 SER C C 75 176.030 176.030 176.650 -0.620 18521 10132 1 11 . 1 1 75 75 SER CA C 75 60.560 60.560 60.789 -0.229 18521 10133 1 11 . 1 1 75 75 SER CB C 75 62.971 62.971 62.925 0.046 18521 10134 1 11 . 1 1 75 75 SER H H 75 8.409 8.409 8.296 0.113 18521 10135 1 11 . 1 1 76 76 LEU N N 76 123.753 123.753 123.235 0.518 18521 10136 1 11 . 1 1 76 76 LEU HA H 76 4.121 4.121 4.133 -0.013 18521 10137 1 11 . 1 1 76 76 LEU C C 76 178.263 178.263 177.799 0.464 18521 10138 1 11 . 1 1 76 76 LEU CA C 76 56.665 56.665 57.088 -0.423 18521 10139 1 11 . 1 1 76 76 LEU CB C 76 41.538 41.538 41.784 -0.246 18521 10140 1 11 . 1 1 76 76 LEU H H 76 8.068 8.068 7.901 0.167 18521 10141 1 11 . 1 1 77 77 HIS N N 77 120.235 120.235 118.528 1.707 18521 10142 1 11 . 1 1 77 77 HIS HA H 77 4.372 4.372 4.184 0.188 18521 10143 1 11 . 1 1 77 77 HIS C C 77 177.974 177.974 177.178 0.796 18521 10144 1 11 . 1 1 77 77 HIS CA C 77 58.504 58.504 59.863 -1.359 18521 10145 1 11 . 1 1 77 77 HIS CB C 77 30.124 30.124 29.528 0.596 18521 10146 1 11 . 1 1 77 77 HIS H H 77 7.955 7.955 8.226 -0.271 18521 10147 1 11 . 1 1 78 78 VAL N N 78 121.721 121.721 120.242 1.479 18521 10148 1 11 . 1 1 78 78 VAL HA H 78 3.612 3.612 3.639 -0.027 18521 10149 1 11 . 1 1 78 78 VAL C C 78 177.688 177.688 177.513 0.175 18521 10150 1 11 . 1 1 78 78 VAL CA C 78 65.817 65.817 66.196 -0.379 18521 10151 1 11 . 1 1 78 78 VAL CB C 78 31.729 31.729 31.901 -0.172 18521 10152 1 11 . 1 1 78 78 VAL H H 78 7.953 7.953 7.638 0.315 18521 10153 1 11 . 1 1 79 79 MET N N 79 119.138 119.138 118.339 0.799 18521 10154 1 11 . 1 1 79 79 MET HA H 79 3.879 3.879 3.966 -0.087 18521 10155 1 11 . 1 1 79 79 MET C C 79 180.609 180.609 177.795 2.814 18521 10156 1 11 . 1 1 79 79 MET CA C 79 59.210 59.210 59.141 0.069 18521 10157 1 11 . 1 1 79 79 MET CB C 79 34.157 34.157 32.281 1.876 18521 10158 1 11 . 1 1 79 79 MET H H 79 8.132 8.132 7.723 0.409 18521 10159 1 11 . 1 1 80 80 ASN N N 80 117.000 117.000 117.444 -0.444 18521 10160 1 11 . 1 1 80 80 ASN HA H 80 4.161 4.161 4.495 -0.334 18521 10161 1 11 . 1 1 80 80 ASN C C 80 178.212 178.212 177.056 1.156 18521 10162 1 11 . 1 1 80 80 ASN CA C 80 56.827 56.827 56.788 0.039 18521 10163 1 11 . 1 1 80 80 ASN CB C 80 38.920 38.920 37.785 1.135 18521 10164 1 11 . 1 1 80 80 ASN H H 80 8.195 8.195 8.364 -0.169 18521 10165 1 11 . 1 1 81 81 THR N N 81 116.021 116.021 117.347 -1.326 18521 10166 1 11 . 1 1 81 81 THR HA H 81 3.975 3.975 4.005 -0.030 18521 10167 1 11 . 1 1 81 81 THR C C 81 175.237 175.237 176.537 -1.300 18521 10168 1 11 . 1 1 81 81 THR CA C 81 66.507 66.507 66.338 0.169 18521 10169 1 11 . 1 1 81 81 THR CB C 81 68.813 68.813 68.574 0.239 18521 10170 1 11 . 1 1 81 81 THR H H 81 7.952 7.952 7.916 0.036 18521 10171 1 11 . 1 1 82 82 LEU N N 82 119.041 119.041 120.068 -1.027 18521 10172 1 11 . 1 1 82 82 LEU HA H 82 4.040 4.040 4.108 -0.068 18521 10173 1 11 . 1 1 82 82 LEU C C 82 177.541 177.541 178.135 -0.594 18521 10174 1 11 . 1 1 82 82 LEU CA C 82 56.468 56.468 57.555 -1.087 18521 10175 1 11 . 1 1 82 82 LEU CB C 82 42.247 42.247 41.843 0.404 18521 10176 1 11 . 1 1 82 82 LEU H H 82 7.655 7.655 7.590 0.065 18521 10177 1 11 . 1 1 83 83 ILE N N 83 118.063 118.063 115.782 2.281 18521 10178 1 11 . 1 1 83 83 ILE HA H 83 3.805 3.805 3.927 -0.122 18521 10179 1 11 . 1 1 83 83 ILE C C 83 176.681 176.681 178.294 -1.613 18521 10180 1 11 . 1 1 83 83 ILE CA C 83 63.188 63.188 63.519 -0.331 18521 10181 1 11 . 1 1 83 83 ILE CB C 83 37.939 37.939 38.552 -0.613 18521 10182 1 11 . 1 1 83 83 ILE H H 83 7.455 7.455 7.202 0.253 18521 10183 1 11 . 1 1 84 84 HIS N N 84 116.118 116.118 116.580 -0.462 18521 10184 1 11 . 1 1 84 84 HIS HA H 84 4.568 4.568 4.418 0.150 18521 10185 1 11 . 1 1 84 84 HIS C C 84 175.568 175.568 175.613 -0.045 18521 10186 1 11 . 1 1 84 84 HIS CA C 84 58.425 58.425 59.225 -0.800 18521 10187 1 11 . 1 1 84 84 HIS CB C 84 31.801 31.801 30.689 1.111 18521 10188 1 11 . 1 1 84 84 HIS H H 84 7.168 7.168 8.724 -1.556 18521 10189 1 11 . 1 1 85 85 ASP N N 85 122.411 122.411 119.843 2.568 18521 10190 1 11 . 1 1 85 85 ASP HA H 85 4.546 4.546 4.718 -0.172 18521 10191 1 11 . 1 1 85 85 ASP C C 85 175.527 175.527 176.838 -1.311 18521 10192 1 11 . 1 1 85 85 ASP CA C 85 53.215 53.215 53.443 -0.228 18521 10193 1 11 . 1 1 85 85 ASP CB C 85 40.936 40.936 40.735 0.201 18521 10194 1 11 . 1 1 85 85 ASP H H 85 8.576 8.576 8.107 0.469 18521 10195 1 11 . 1 1 86 86 GLN N N 86 122.561 122.561 126.776 -4.215 18521 10196 1 11 . 1 1 86 86 GLN HA H 86 4.077 4.077 4.155 -0.078 18521 10197 1 11 . 1 1 86 86 GLN C C 86 178.518 178.518 178.160 0.358 18521 10198 1 11 . 1 1 86 86 GLN CA C 86 57.816 57.816 58.634 -0.818 18521 10199 1 11 . 1 1 86 86 GLN CB C 86 29.165 29.165 28.728 0.437 18521 10200 1 11 . 1 1 86 86 GLN H H 86 8.715 8.715 8.446 0.269 18521 10201 1 11 . 1 1 87 87 GLU N N 87 121.616 121.616 120.264 1.352 18521 10202 1 11 . 1 1 87 87 GLU HA H 87 4.042 4.042 3.693 0.349 18521 10203 1 11 . 1 1 87 87 GLU C C 87 178.154 178.154 178.180 -0.026 18521 10204 1 11 . 1 1 87 87 GLU CA C 87 59.051 59.051 59.637 -0.586 18521 10205 1 11 . 1 1 87 87 GLU CB C 87 29.231 29.231 28.966 0.265 18521 10206 1 11 . 1 1 87 87 GLU H H 87 8.073 8.073 7.846 0.227 18521 10207 1 11 . 1 1 88 88 LYS N N 88 119.006 119.006 119.305 -0.299 18521 10208 1 11 . 1 1 88 88 LYS HA H 88 3.754 3.754 4.044 -0.290 18521 10209 1 11 . 1 1 88 88 LYS C C 88 177.129 177.129 178.588 -1.459 18521 10210 1 11 . 1 1 88 88 LYS CA C 88 59.721 59.721 59.166 0.555 18521 10211 1 11 . 1 1 88 88 LYS CB C 88 32.253 32.253 32.224 0.029 18521 10212 1 11 . 1 1 88 88 LYS H H 88 7.525 7.525 8.328 -0.803 18521 10213 1 11 . 1 1 89 89 ALA N N 89 121.945 121.945 121.495 0.450 18521 10214 1 11 . 1 1 89 89 ALA HA H 89 3.734 3.734 4.044 -0.310 18521 10215 1 11 . 1 1 89 89 ALA C C 89 177.545 177.545 178.959 -1.414 18521 10216 1 11 . 1 1 89 89 ALA CA C 89 55.977 55.977 55.141 0.836 18521 10217 1 11 . 1 1 89 89 ALA CB C 89 18.763 18.763 18.028 0.735 18521 10218 1 11 . 1 1 89 89 ALA H H 89 8.472 8.472 8.069 0.403 18521 10219 1 11 . 1 1 90 90 LYS N N 90 117.743 117.743 118.985 -1.242 18521 10220 1 11 . 1 1 90 90 LYS HA H 90 4.015 4.015 2.602 1.413 18521 10221 1 11 . 1 1 90 90 LYS C C 90 177.667 177.667 178.435 -0.768 18521 10222 1 11 . 1 1 90 90 LYS CA C 90 58.703 58.703 58.656 0.047 18521 10223 1 11 . 1 1 90 90 LYS CB C 90 32.779 32.779 31.375 1.404 18521 10224 1 11 . 1 1 90 90 LYS H H 90 6.684 6.684 7.525 -0.841 18521 10225 1 11 . 1 1 91 91 ILE N N 91 117.216 117.216 118.729 -1.513 18521 10226 1 11 . 1 1 91 91 ILE HA H 91 3.414 3.414 3.607 -0.193 18521 10227 1 11 . 1 1 91 91 ILE C C 91 178.422 178.422 178.015 0.407 18521 10228 1 11 . 1 1 91 91 ILE CA C 91 64.094 64.094 65.373 -1.279 18521 10229 1 11 . 1 1 91 91 ILE CB C 91 37.481 37.481 37.836 -0.355 18521 10230 1 11 . 1 1 91 91 ILE H H 91 7.196 7.196 7.327 -0.131 18521 10231 1 11 . 1 1 92 92 TYR N N 92 122.201 122.201 120.643 1.558 18521 10232 1 11 . 1 1 92 92 TYR HA H 92 4.047 4.047 4.054 -0.007 18521 10233 1 11 . 1 1 92 92 TYR C C 92 177.726 177.726 177.536 0.190 18521 10234 1 11 . 1 1 92 92 TYR CA C 92 61.771 61.771 61.895 -0.124 18521 10235 1 11 . 1 1 92 92 TYR CB C 92 39.295 39.295 38.481 0.814 18521 10236 1 11 . 1 1 92 92 TYR H H 92 8.466 8.466 7.674 0.792 18521 10237 1 11 . 1 1 93 93 MET N N 93 117.420 117.420 119.678 -2.258 18521 10238 1 11 . 1 1 93 93 MET HA H 93 3.896 3.896 4.020 -0.124 18521 10239 1 11 . 1 1 93 93 MET C C 93 180.221 180.221 177.707 2.514 18521 10240 1 11 . 1 1 93 93 MET CA C 93 57.586 57.586 58.233 -0.647 18521 10241 1 11 . 1 1 93 93 MET CB C 93 30.854 30.854 32.221 -1.367 18521 10242 1 11 . 1 1 93 93 MET H H 93 8.269 8.269 8.798 -0.529 18521 10243 1 11 . 1 1 94 94 LEU N N 94 125.183 125.183 120.561 4.622 18521 10244 1 11 . 1 1 94 94 LEU HA H 94 3.826 3.826 3.897 -0.071 18521 10245 1 11 . 1 1 94 94 LEU C C 94 177.787 177.787 178.174 -0.387 18521 10246 1 11 . 1 1 94 94 LEU CA C 94 58.729 58.729 58.597 0.132 18521 10247 1 11 . 1 1 94 94 LEU CB C 94 42.188 42.188 41.485 0.703 18521 10248 1 11 . 1 1 94 94 LEU H H 94 8.733 8.733 8.253 0.480 18521 10249 1 11 . 1 1 95 95 ASN N N 95 121.517 121.517 118.589 2.928 18521 10250 1 11 . 1 1 95 95 ASN HA H 95 4.184 4.184 4.313 -0.129 18521 10251 1 11 . 1 1 95 95 ASN C C 95 178.481 178.481 177.837 0.644 18521 10252 1 11 . 1 1 95 95 ASN CA C 95 56.312 56.312 55.899 0.413 18521 10253 1 11 . 1 1 95 95 ASN H H 95 8.951 8.951 8.162 0.789 18521 10254 1 11 . 1 1 96 96 PHE N N 96 122.778 122.778 121.721 1.057 18521 10255 1 11 . 1 1 96 96 PHE HA H 96 4.341 4.341 4.078 0.263 18521 10256 1 11 . 1 1 96 96 PHE C C 96 177.925 177.925 176.697 1.228 18521 10257 1 11 . 1 1 96 96 PHE CA C 96 62.427 62.427 62.110 0.317 18521 10258 1 11 . 1 1 96 96 PHE H H 96 8.454 8.454 8.433 0.021 18521 10259 1 11 . 1 1 97 97 THR N N 97 117.115 117.115 116.447 0.668 18521 10260 1 11 . 1 1 97 97 THR HA H 97 3.369 3.369 3.807 -0.438 18521 10261 1 11 . 1 1 97 97 THR C C 97 176.185 176.185 176.797 -0.612 18521 10262 1 11 . 1 1 97 97 THR CA C 97 68.090 68.090 66.846 1.244 18521 10263 1 11 . 1 1 97 97 THR CB C 97 68.087 68.087 68.232 -0.145 18521 10264 1 11 . 1 1 97 97 THR H H 97 8.209 8.209 8.532 -0.323 18521 10265 1 11 . 1 1 98 98 MET N N 98 119.373 119.373 120.226 -0.853 18521 10266 1 11 . 1 1 98 98 MET HA H 98 4.360 4.360 4.276 0.084 18521 10267 1 11 . 1 1 98 98 MET C C 98 177.887 177.887 178.208 -0.321 18521 10268 1 11 . 1 1 98 98 MET CA C 98 58.143 58.143 57.120 1.023 18521 10269 1 11 . 1 1 98 98 MET CB C 98 31.948 31.948 30.946 1.002 18521 10270 1 11 . 1 1 98 98 MET H H 98 8.958 8.958 8.877 0.081 18521 10271 1 11 . 1 1 99 99 SER N N 99 114.517 114.517 116.112 -1.595 18521 10272 1 11 . 1 1 99 99 SER HA H 99 4.043 4.043 4.139 -0.096 18521 10273 1 11 . 1 1 99 99 SER C C 99 176.195 176.195 176.672 -0.477 18521 10274 1 11 . 1 1 99 99 SER CA C 99 62.481 62.481 61.876 0.605 18521 10275 1 11 . 1 1 99 99 SER CB C 99 62.692 62.692 62.822 -0.130 18521 10276 1 11 . 1 1 99 99 SER H H 99 7.708 7.708 7.987 -0.279 18521 10277 1 11 . 1 1 100 100 LEU N N 100 125.126 125.126 123.373 1.753 18521 10278 1 11 . 1 1 100 100 LEU HA H 100 3.913 3.913 4.021 -0.108 18521 10279 1 11 . 1 1 100 100 LEU C C 100 177.327 177.327 178.183 -0.856 18521 10280 1 11 . 1 1 100 100 LEU CA C 100 58.005 58.005 57.393 0.612 18521 10281 1 11 . 1 1 100 100 LEU CB C 100 41.841 41.841 41.583 0.258 18521 10282 1 11 . 1 1 100 100 LEU H H 100 7.277 7.277 7.475 -0.198 18521 10283 1 11 . 1 1 101 101 TYR N N 101 120.940 120.940 119.771 1.169 18521 10284 1 11 . 1 1 101 101 TYR HA H 101 4.143 4.143 4.204 -0.061 18521 10285 1 11 . 1 1 101 101 TYR C C 101 176.784 176.784 177.393 -0.609 18521 10286 1 11 . 1 1 101 101 TYR CA C 101 61.543 61.543 60.349 1.194 18521 10287 1 11 . 1 1 101 101 TYR CB C 101 40.909 40.909 38.244 2.665 18521 10288 1 11 . 1 1 101 101 TYR H H 101 8.858 8.858 8.669 0.189 18521 10289 1 11 . 1 1 102 102 ASN N N 102 119.067 119.067 117.616 1.451 18521 10290 1 11 . 1 1 102 102 ASN HA H 102 4.116 4.116 4.067 0.049 18521 10291 1 11 . 1 1 102 102 ASN C C 102 178.713 178.713 177.214 1.499 18521 10292 1 11 . 1 1 102 102 ASN CA C 102 55.734 55.734 55.967 -0.233 18521 10293 1 11 . 1 1 102 102 ASN H H 102 8.700 8.700 8.855 -0.155 18521 10294 1 11 . 1 1 103 103 GLU N N 103 119.558 119.558 120.227 -0.669 18521 10295 1 11 . 1 1 103 103 GLU HA H 103 3.944 3.944 3.927 0.017 18521 10296 1 11 . 1 1 103 103 GLU C C 103 179.012 179.012 178.852 0.160 18521 10297 1 11 . 1 1 103 103 GLU CA C 103 59.506 59.506 59.667 -0.161 18521 10298 1 11 . 1 1 103 103 GLU CB C 103 29.349 29.349 29.549 -0.200 18521 10299 1 11 . 1 1 103 103 GLU H H 103 7.599 7.599 8.022 -0.423 18521 10300 1 11 . 1 1 104 104 LYS N N 104 120.218 120.218 118.565 1.653 18521 10301 1 11 . 1 1 104 104 LYS HA H 104 4.051 4.051 4.018 0.033 18521 10302 1 11 . 1 1 104 104 LYS C C 104 178.477 178.477 178.990 -0.513 18521 10303 1 11 . 1 1 104 104 LYS CA C 104 56.534 56.534 58.656 -2.122 18521 10304 1 11 . 1 1 104 104 LYS CB C 104 29.108 29.108 32.298 -3.190 18521 10305 1 11 . 1 1 104 104 LYS H H 104 8.311 8.311 7.615 0.696 18521 10306 1 11 . 1 1 105 105 LEU N N 105 122.110 122.110 119.475 2.635 18521 10307 1 11 . 1 1 105 105 LEU HA H 105 3.774 3.774 3.863 -0.089 18521 10308 1 11 . 1 1 105 105 LEU C C 105 180.224 180.224 178.597 1.627 18521 10309 1 11 . 1 1 105 105 LEU CA C 105 58.148 58.148 57.731 0.417 18521 10310 1 11 . 1 1 105 105 LEU CB C 105 42.394 42.394 41.181 1.213 18521 10311 1 11 . 1 1 105 105 LEU H H 105 8.604 8.604 7.920 0.684 18521 10312 1 11 . 1 1 106 106 LYS N N 106 119.031 119.031 119.518 -0.487 18521 10313 1 11 . 1 1 106 106 LYS HA H 106 4.035 4.035 3.787 0.248 18521 10314 1 11 . 1 1 106 106 LYS C C 106 178.496 178.496 178.929 -0.433 18521 10315 1 11 . 1 1 106 106 LYS CA C 106 59.820 59.820 59.487 0.333 18521 10316 1 11 . 1 1 106 106 LYS CB C 106 31.956 31.956 32.115 -0.159 18521 10317 1 11 . 1 1 106 106 LYS H H 106 7.339 7.339 7.936 -0.597 18521 10318 1 11 . 1 1 107 107 GLN N N 107 121.417 121.417 117.773 3.644 18521 10319 1 11 . 1 1 107 107 GLN HA H 107 3.744 3.744 3.811 -0.067 18521 10320 1 11 . 1 1 107 107 GLN C C 107 178.103 178.103 178.862 -0.759 18521 10321 1 11 . 1 1 107 107 GLN CA C 107 58.582 58.582 58.243 0.339 18521 10322 1 11 . 1 1 107 107 GLN CB C 107 26.969 26.969 28.378 -1.409 18521 10323 1 11 . 1 1 107 107 GLN H H 107 7.590 7.590 7.435 0.155 18521 10324 1 11 . 1 1 108 108 LEU N N 108 120.629 120.629 119.256 1.373 18521 10325 1 11 . 1 1 108 108 LEU HA H 108 3.806 3.806 4.439 -0.633 18521 10326 1 11 . 1 1 108 108 LEU C C 108 178.978 178.978 178.204 0.774 18521 10327 1 11 . 1 1 108 108 LEU CA C 108 58.306 58.306 57.583 0.723 18521 10328 1 11 . 1 1 108 108 LEU CB C 108 42.112 42.112 41.809 0.303 18521 10329 1 11 . 1 1 108 108 LEU H H 108 8.450 8.450 7.576 0.874 18521 10330 1 11 . 1 1 109 109 LYS N N 109 119.584 119.584 117.371 2.213 18521 10331 1 11 . 1 1 109 109 LYS HA H 109 4.166 4.166 4.089 0.077 18521 10332 1 11 . 1 1 109 109 LYS C C 109 177.859 177.859 177.099 0.760 18521 10333 1 11 . 1 1 109 109 LYS CA C 109 58.746 58.746 58.693 0.053 18521 10334 1 11 . 1 1 109 109 LYS CB C 109 32.637 32.637 32.753 -0.116 18521 10335 1 11 . 1 1 109 109 LYS H H 109 7.295 7.295 7.662 -0.367 18521 10336 1 11 . 1 1 110 110 ASP N N 110 116.950 116.950 113.298 3.652 18521 10337 1 11 . 1 1 110 110 ASP HA H 110 4.604 4.604 4.966 -0.362 18521 10338 1 11 . 1 1 110 110 ASP C C 110 177.157 177.157 174.984 2.173 18521 10339 1 11 . 1 1 110 110 ASP CA C 110 55.768 55.768 54.375 1.393 18521 10340 1 11 . 1 1 110 110 ASP CB C 110 42.724 42.724 43.375 -0.651 18521 10341 1 11 . 1 1 110 110 ASP H H 110 7.807 7.807 7.728 0.079 18521 10342 1 11 . 1 1 111 111 GLY N N 111 114.046 114.046 110.125 3.921 18521 10343 1 11 . 1 1 111 111 GLY CA C 111 41.845 41.845 44.225 -2.380 18521 10344 1 11 . 1 1 111 111 GLY H H 111 8.554 8.554 7.376 1.178 18521 10345 1 11 . 1 1 112 112 PRO HA H 112 4.552 4.552 4.077 0.475 18521 10346 1 11 . 1 1 112 112 PRO C C 112 174.967 174.967 175.715 -0.748 18521 10347 1 11 . 1 1 112 112 PRO CA C 112 61.222 61.222 62.665 -1.443 18521 10348 1 11 . 1 1 112 112 PRO CB C 112 35.056 35.056 32.170 2.886 18521 10349 1 11 . 1 1 113 113 TRP N N 113 123.139 123.139 124.066 -0.927 18521 10350 1 11 . 1 1 113 113 TRP HA H 113 4.650 4.650 4.824 -0.174 18521 10351 1 11 . 1 1 113 113 TRP C C 113 174.604 174.604 175.281 -0.677 18521 10352 1 11 . 1 1 113 113 TRP CA C 113 58.154 58.154 56.740 1.414 18521 10353 1 11 . 1 1 113 113 TRP CB C 113 27.048 27.048 31.628 -4.580 18521 10354 1 11 . 1 1 113 113 TRP H H 113 8.671 8.671 8.610 0.061 18521 10355 1 11 . 1 1 114 114 ASP N N 114 121.440 121.440 117.950 3.490 18521 10356 1 11 . 1 1 114 114 ASP HA H 114 4.930 4.930 4.765 0.165 18521 10357 1 11 . 1 1 114 114 ASP C C 114 176.979 176.979 176.174 0.805 18521 10358 1 11 . 1 1 114 114 ASP CA C 114 52.223 52.223 52.873 -0.650 18521 10359 1 11 . 1 1 114 114 ASP CB C 114 43.192 43.192 41.968 1.224 18521 10360 1 11 . 1 1 114 114 ASP H H 114 6.950 6.950 8.028 -1.078 18521 10361 1 11 . 1 1 115 115 VAL N N 115 118.386 118.386 119.886 -1.500 18521 10362 1 11 . 1 1 115 115 VAL HA H 115 3.825 3.825 3.690 0.135 18521 10363 1 11 . 1 1 115 115 VAL C C 115 177.760 177.760 178.030 -0.270 18521 10364 1 11 . 1 1 115 115 VAL CA C 115 65.611 65.611 66.253 -0.642 18521 10365 1 11 . 1 1 115 115 VAL CB C 115 31.657 31.657 32.077 -0.420 18521 10366 1 11 . 1 1 115 115 VAL H H 115 8.181 8.181 8.333 -0.152 18521 10367 1 11 . 1 1 116 116 MET N N 116 120.354 120.354 118.283 2.071 18521 10368 1 11 . 1 1 116 116 MET HA H 116 4.284 4.284 4.150 0.134 18521 10369 1 11 . 1 1 116 116 MET C C 116 179.336 179.336 178.545 0.791 18521 10370 1 11 . 1 1 116 116 MET CA C 116 57.392 57.392 59.191 -1.799 18521 10371 1 11 . 1 1 116 116 MET CB C 116 30.450 30.450 32.055 -1.605 18521 10372 1 11 . 1 1 116 116 MET H H 116 7.661 7.661 8.005 -0.344 18521 10373 1 11 . 1 1 117 117 LEU N N 117 125.774 125.774 121.210 4.564 18521 10374 1 11 . 1 1 117 117 LEU HA H 117 4.129 4.129 3.979 0.150 18521 10375 1 11 . 1 1 117 117 LEU C C 117 178.399 178.399 177.934 0.465 18521 10376 1 11 . 1 1 117 117 LEU CA C 117 58.353 58.353 58.670 -0.317 18521 10377 1 11 . 1 1 117 117 LEU CB C 117 40.392 40.392 41.544 -1.152 18521 10378 1 11 . 1 1 117 117 LEU H H 117 8.179 8.179 9.248 -1.069 18521 10379 1 11 . 1 1 118 118 LYS N N 118 118.471 118.471 119.477 -1.006 18521 10380 1 11 . 1 1 118 118 LYS HA H 118 3.824 3.824 3.936 -0.112 18521 10381 1 11 . 1 1 118 118 LYS C C 118 178.259 178.259 179.109 -0.850 18521 10382 1 11 . 1 1 118 118 LYS CA C 118 60.497 60.497 60.222 0.275 18521 10383 1 11 . 1 1 118 118 LYS CB C 118 32.355 32.355 32.530 -0.175 18521 10384 1 11 . 1 1 118 118 LYS H H 118 7.359 7.359 7.783 -0.424 18521 10385 1 11 . 1 1 119 119 ARG N N 119 117.838 117.838 118.792 -0.954 18521 10386 1 11 . 1 1 119 119 ARG HA H 119 4.158 4.158 4.340 -0.182 18521 10387 1 11 . 1 1 119 119 ARG C C 119 180.132 180.132 179.060 1.072 18521 10388 1 11 . 1 1 119 119 ARG CA C 119 59.535 59.535 59.402 0.133 18521 10389 1 11 . 1 1 119 119 ARG CB C 119 29.994 29.994 30.332 -0.338 18521 10390 1 11 . 1 1 119 119 ARG H H 119 8.316 8.316 8.584 -0.268 18521 10391 1 11 . 1 1 120 120 SER N N 120 117.258 117.258 115.997 1.261 18521 10392 1 11 . 1 1 120 120 SER HA H 120 4.374 4.374 4.337 0.037 18521 10393 1 11 . 1 1 120 120 SER C C 120 176.034 176.034 176.656 -0.622 18521 10394 1 11 . 1 1 120 120 SER CA C 120 62.728 62.728 61.510 1.218 18521 10395 1 11 . 1 1 120 120 SER CB C 120 63.050 63.050 62.822 0.229 18521 10396 1 11 . 1 1 120 120 SER H H 120 8.598 8.598 8.669 -0.071 18521 10397 1 11 . 1 1 121 121 LEU N N 121 125.307 125.307 121.581 3.726 18521 10398 1 11 . 1 1 121 121 LEU HA H 121 4.192 4.192 4.119 0.073 18521 10399 1 11 . 1 1 121 121 LEU C C 121 179.621 179.621 178.659 0.962 18521 10400 1 11 . 1 1 121 121 LEU CA C 121 58.894 58.894 58.088 0.806 18521 10401 1 11 . 1 1 121 121 LEU CB C 121 41.188 41.188 41.572 -0.384 18521 10402 1 11 . 1 1 121 121 LEU H H 121 8.250 8.250 8.178 0.072 18521 10403 1 11 . 1 1 122 122 TRP N N 122 120.444 120.444 119.378 1.066 18521 10404 1 11 . 1 1 122 122 TRP HA H 122 4.368 4.368 4.355 0.013 18521 10405 1 11 . 1 1 122 122 TRP C C 122 176.943 176.943 178.661 -1.718 18521 10406 1 11 . 1 1 122 122 TRP CA C 122 61.452 61.452 61.334 0.118 18521 10407 1 11 . 1 1 122 122 TRP CB C 122 29.823 29.823 29.137 0.686 18521 10408 1 11 . 1 1 122 122 TRP H H 122 7.873 7.873 7.607 0.266 18521 10409 1 11 . 1 1 123 123 CYS N N 123 120.188 120.188 119.228 0.960 18521 10410 1 11 . 1 1 123 123 CYS HA H 123 4.264 4.264 4.285 -0.021 18521 10411 1 11 . 1 1 123 123 CYS C C 123 176.875 176.875 176.944 -0.069 18521 10412 1 11 . 1 1 123 123 CYS CA C 123 60.573 60.573 62.066 -1.493 18521 10413 1 11 . 1 1 123 123 CYS CB C 123 25.642 25.642 27.102 -1.460 18521 10414 1 11 . 1 1 123 123 CYS H H 123 8.271 8.271 8.029 0.242 18521 10415 1 11 . 1 1 124 124 CYS N N 124 116.760 116.760 119.567 -2.807 18521 10416 1 11 . 1 1 124 124 CYS HA H 124 3.880 3.880 4.098 -0.218 18521 10417 1 11 . 1 1 124 124 CYS C C 124 175.810 175.810 177.246 -1.436 18521 10418 1 11 . 1 1 124 124 CYS CA C 124 65.646 65.646 64.548 1.098 18521 10419 1 11 . 1 1 124 124 CYS CB C 124 28.069 28.069 27.121 0.948 18521 10420 1 11 . 1 1 124 124 CYS H H 124 8.208 8.208 7.952 0.256 18521 10421 1 11 . 1 1 125 125 ILE N N 125 121.167 121.167 121.339 -0.172 18521 10422 1 11 . 1 1 125 125 ILE HA H 125 3.580 3.580 3.807 -0.227 18521 10423 1 11 . 1 1 125 125 ILE C C 125 179.302 179.302 177.664 1.638 18521 10424 1 11 . 1 1 125 125 ILE CA C 125 67.663 67.663 66.030 1.633 18521 10425 1 11 . 1 1 125 125 ILE CB C 125 37.988 37.988 37.525 0.463 18521 10426 1 11 . 1 1 125 125 ILE H H 125 8.073 8.073 8.303 -0.230 18521 10427 1 11 . 1 1 126 126 ASP N N 126 124.812 124.812 120.244 4.568 18521 10428 1 11 . 1 1 126 126 ASP HA H 126 4.622 4.622 4.542 0.080 18521 10429 1 11 . 1 1 126 126 ASP C C 126 178.091 178.091 179.090 -0.999 18521 10430 1 11 . 1 1 126 126 ASP CA C 126 58.885 58.885 57.508 1.377 18521 10431 1 11 . 1 1 126 126 ASP CB C 126 40.408 40.408 40.366 0.042 18521 10432 1 11 . 1 1 126 126 ASP H H 126 8.778 8.778 7.798 0.980 18521 10433 1 11 . 1 1 127 127 LEU N N 127 122.531 122.531 120.012 2.519 18521 10434 1 11 . 1 1 127 127 LEU HA H 127 3.841 3.841 3.845 -0.004 18521 10435 1 11 . 1 1 127 127 LEU C C 127 179.582 179.582 178.932 0.650 18521 10436 1 11 . 1 1 127 127 LEU CA C 127 58.632 58.632 57.877 0.755 18521 10437 1 11 . 1 1 127 127 LEU CB C 127 42.680 42.680 41.542 1.138 18521 10438 1 11 . 1 1 127 127 LEU H H 127 8.888 8.888 7.413 1.475 18521 10439 1 11 . 1 1 128 128 ILE N N 128 121.311 121.311 118.974 2.337 18521 10440 1 11 . 1 1 128 128 ILE HA H 128 3.938 3.938 3.685 0.253 18521 10441 1 11 . 1 1 128 128 ILE C C 128 176.725 176.725 178.297 -1.572 18521 10442 1 11 . 1 1 128 128 ILE CA C 128 60.922 60.922 65.259 -4.337 18521 10443 1 11 . 1 1 128 128 ILE CB C 128 38.971 38.971 37.162 1.809 18521 10444 1 11 . 1 1 128 128 ILE H H 128 7.469 7.469 7.728 -0.259 18521 10445 1 11 . 1 1 129 129 ASN N N 129 122.727 122.727 118.315 4.412 18521 10446 1 11 . 1 1 129 129 ASN HA H 129 4.582 4.582 4.327 0.255 18521 10447 1 11 . 1 1 129 129 ASN C C 129 177.132 177.132 177.194 -0.062 18521 10448 1 11 . 1 1 129 129 ASN CA C 129 52.982 52.982 56.792 -3.810 18521 10449 1 11 . 1 1 129 129 ASN CB C 129 38.792 38.792 38.418 0.374 18521 10450 1 11 . 1 1 129 129 ASN H H 129 8.173 8.173 8.135 0.038 18521 10451 1 11 . 1 1 130 130 ILE N N 130 120.527 120.527 121.571 -1.044 18521 10452 1 11 . 1 1 130 130 ILE HA H 130 4.305 4.305 2.220 2.085 18521 10453 1 11 . 1 1 130 130 ILE C C 130 175.796 175.796 177.280 -1.484 18521 10454 1 11 . 1 1 130 130 ILE CA C 130 61.246 61.246 64.074 -2.828 18521 10455 1 11 . 1 1 130 130 ILE CB C 130 38.797 38.797 37.295 1.502 18521 10456 1 11 . 1 1 130 130 ILE H H 130 8.096 8.096 7.503 0.593 18521 10457 1 11 . 1 1 131 131 ASP N N 131 122.165 122.165 121.926 0.239 18521 10458 1 11 . 1 1 131 131 ASP HA H 131 4.416 4.416 3.967 0.449 18521 10459 1 11 . 1 1 131 131 ASP C C 131 176.750 176.750 178.456 -1.706 18521 10460 1 11 . 1 1 131 131 ASP CA C 131 55.955 55.955 57.773 -1.818 18521 10461 1 11 . 1 1 131 131 ASP CB C 131 41.117 41.117 40.676 0.441 18521 10462 1 11 . 1 1 131 131 ASP H H 131 8.157 8.157 7.786 0.371 18521 10463 1 11 . 1 1 132 132 LYS N N 132 119.537 119.537 118.102 1.435 18521 10464 1 11 . 1 1 132 132 LYS HA H 132 4.373 4.373 3.907 0.466 18521 10465 1 11 . 1 1 132 132 LYS C C 132 176.405 176.405 178.173 -1.768 18521 10466 1 11 . 1 1 132 132 LYS CA C 132 55.699 55.699 59.099 -3.401 18521 10467 1 11 . 1 1 132 132 LYS CB C 132 32.822 32.822 32.122 0.700 18521 10468 1 11 . 1 1 132 132 LYS H H 132 8.023 8.023 7.712 0.311 18521 10469 1 11 . 1 1 133 133 LEU N N 133 120.242 120.242 120.057 0.185 18521 10470 1 11 . 1 1 133 133 LEU HA H 133 4.158 4.158 4.243 -0.085 18521 10471 1 11 . 1 1 133 133 LEU C C 133 178.449 178.449 179.726 -1.277 18521 10472 1 11 . 1 1 133 133 LEU CA C 133 57.538 57.538 58.093 -0.555 18521 10473 1 11 . 1 1 133 133 LEU CB C 133 41.572 41.572 42.698 -1.126 18521 10474 1 11 . 1 1 133 133 LEU H H 133 8.024 8.024 7.568 0.456 18521 10475 1 11 . 1 1 134 134 GLN N N 134 117.985 117.985 117.717 0.268 18521 10476 1 11 . 1 1 134 134 GLN HA H 134 4.018 4.018 3.832 0.186 18521 10477 1 11 . 1 1 134 134 GLN C C 134 179.500 179.500 176.914 2.586 18521 10478 1 11 . 1 1 134 134 GLN CA C 134 58.175 58.175 57.882 0.293 18521 10479 1 11 . 1 1 134 134 GLN CB C 134 29.102 29.102 28.217 0.885 18521 10480 1 11 . 1 1 134 134 GLN H H 134 8.536 8.536 8.079 0.457 18521 10481 1 11 . 1 1 135 135 TRP N N 135 115.550 115.550 115.817 -0.267 18521 10482 1 11 . 1 1 135 135 TRP HA H 135 4.991 4.991 4.906 0.085 18521 10483 1 11 . 1 1 135 135 TRP C C 135 175.170 175.170 175.328 -0.158 18521 10484 1 11 . 1 1 135 135 TRP CA C 135 59.426 59.426 55.928 3.498 18521 10485 1 11 . 1 1 135 135 TRP CB C 135 26.894 26.894 28.183 -1.289 18521 10486 1 11 . 1 1 135 135 TRP H H 135 7.727 7.727 7.273 0.454 18521 10487 1 11 . 1 1 136 136 LYS N N 136 119.841 119.841 120.402 -0.561 18521 10488 1 11 . 1 1 136 136 LYS HA H 136 3.830 3.830 4.046 -0.216 18521 10489 1 11 . 1 1 136 136 LYS C C 136 178.330 178.330 178.807 -0.477 18521 10490 1 11 . 1 1 136 136 LYS CA C 136 60.194 60.194 60.136 0.058 18521 10491 1 11 . 1 1 136 136 LYS CB C 136 32.902 32.902 32.459 0.443 18521 10492 1 11 . 1 1 136 136 LYS H H 136 6.580 6.580 7.691 -1.111 18521 10493 1 11 . 1 1 137 137 GLU N N 137 115.250 115.250 116.037 -0.787 18521 10494 1 11 . 1 1 137 137 GLU HA H 137 4.177 4.177 4.145 0.032 18521 10495 1 11 . 1 1 137 137 GLU C C 137 176.698 176.698 177.091 -0.393 18521 10496 1 11 . 1 1 137 137 GLU CA C 137 57.766 57.766 58.364 -0.598 18521 10497 1 11 . 1 1 137 137 GLU CB C 137 29.221 29.221 29.357 -0.136 18521 10498 1 11 . 1 1 137 137 GLU H H 137 8.549 8.549 8.765 -0.216 18521 10499 1 11 . 1 1 138 138 ASN N N 138 116.578 116.578 115.591 0.987 18521 10500 1 11 . 1 1 138 138 ASN HA H 138 4.943 4.943 4.734 0.209 18521 10501 1 11 . 1 1 138 138 ASN C C 138 173.448 173.448 174.250 -0.802 18521 10502 1 11 . 1 1 138 138 ASN CA C 138 52.681 52.681 53.504 -0.823 18521 10503 1 11 . 1 1 138 138 ASN CB C 138 40.833 40.833 39.512 1.321 18521 10504 1 11 . 1 1 138 138 ASN H H 138 8.337 8.337 7.666 0.671 18521 10505 1 11 . 1 1 139 139 ILE N N 139 120.835 120.835 120.375 0.460 18521 10506 1 11 . 1 1 139 139 ILE HA H 139 4.339 4.339 4.284 0.055 18521 10507 1 11 . 1 1 139 139 ILE C C 139 175.219 175.219 175.243 -0.024 18521 10508 1 11 . 1 1 139 139 ILE CA C 139 60.867 60.867 60.721 0.146 18521 10509 1 11 . 1 1 139 139 ILE CB C 139 40.270 40.270 39.789 0.481 18521 10510 1 11 . 1 1 139 139 ILE H H 139 7.138 7.138 7.275 -0.137 18521 10511 1 11 . 1 1 140 140 MET N N 140 123.319 123.319 122.395 0.924 18521 10512 1 11 . 1 1 140 140 MET HA H 140 4.324 4.324 4.502 -0.178 18521 10513 1 11 . 1 1 140 140 MET C C 140 177.931 177.931 177.367 0.564 18521 10514 1 11 . 1 1 140 140 MET CA C 140 58.511 58.511 55.183 3.328 18521 10515 1 11 . 1 1 140 140 MET CB C 140 65.156 65.156 64.211 0.945 18521 10516 1 11 . 1 1 140 140 MET H H 140 8.714 8.714 8.351 0.363 18521 10517 1 11 . 1 1 141 141 LEU N N 141 120.610 120.610 123.988 -3.378 18521 10518 1 11 . 1 1 141 141 LEU HA H 141 4.047 4.047 4.021 0.026 18521 10519 1 11 . 1 1 141 141 LEU C C 141 177.281 177.281 179.050 -1.769 18521 10520 1 11 . 1 1 141 141 LEU CA C 141 58.362 58.362 58.360 0.002 18521 10521 1 11 . 1 1 141 141 LEU H H 141 8.333 8.333 8.884 -0.551 18521 10522 1 11 . 1 1 142 142 ASP N N 142 121.268 121.268 120.883 0.385 18521 10523 1 11 . 1 1 142 142 ASP HA H 142 4.415 4.415 4.546 -0.131 18521 10524 1 11 . 1 1 142 142 ASP C C 142 175.916 175.916 178.153 -2.237 18521 10525 1 11 . 1 1 142 142 ASP CA C 142 54.678 54.678 57.943 -3.265 18521 10526 1 11 . 1 1 142 142 ASP CB C 142 68.329 68.329 68.672 -0.343 18521 10527 1 11 . 1 1 142 142 ASP H H 142 8.199 8.199 8.360 -0.161 18521 10528 1 11 . 1 1 143 143 LEU N N 143 120.218 120.218 121.956 -1.738 18521 10529 1 11 . 1 1 143 143 LEU HA H 143 4.108 4.108 4.202 -0.094 18521 10530 1 11 . 1 1 143 143 LEU C C 143 176.205 176.205 178.978 -2.773 18521 10531 1 11 . 1 1 143 143 LEU CA C 143 57.314 57.314 58.271 -0.957 18521 10532 1 11 . 1 1 143 143 LEU CB C 143 39.700 39.700 41.589 -1.889 18521 10533 1 11 . 1 1 143 143 LEU H H 143 7.858 7.858 8.075 -0.217 18521 10534 1 11 . 1 1 144 144 ILE N N 144 121.582 121.582 125.867 -4.285 18521 10535 1 11 . 1 1 144 144 ILE HA H 144 4.083 4.083 3.831 0.252 18521 10536 1 11 . 1 1 144 144 ILE C C 144 177.130 177.130 177.843 -0.713 18521 10537 1 11 . 1 1 144 144 ILE CA C 144 60.697 60.697 66.022 -5.325 18521 10538 1 11 . 1 1 144 144 ILE CB C 144 38.565 38.565 37.307 1.258 18521 10539 1 11 . 1 1 144 144 ILE H H 144 7.948 7.948 8.126 -0.178 18521 10540 1 11 . 1 1 145 145 GLU N N 145 120.974 120.974 122.469 -1.495 18521 10541 1 11 . 1 1 145 145 GLU HA H 145 4.049 4.049 4.183 -0.134 18521 10542 1 11 . 1 1 145 145 GLU C C 145 179.664 179.664 178.717 0.947 18521 10543 1 11 . 1 1 145 145 GLU CA C 145 59.673 59.673 59.555 0.118 18521 10544 1 11 . 1 1 145 145 GLU CB C 145 29.521 29.521 29.513 0.008 18521 10545 1 11 . 1 1 145 145 GLU H H 145 7.869 7.869 7.891 -0.022 18521 10546 1 11 . 1 1 146 146 GLN N N 146 118.520 118.520 120.218 -1.698 18521 10547 1 11 . 1 1 146 146 GLN HA H 146 4.034 4.034 4.065 -0.031 18521 10548 1 11 . 1 1 146 146 GLN C C 146 178.820 178.820 177.606 1.214 18521 10549 1 11 . 1 1 146 146 GLN CA C 146 58.720 58.720 58.855 -0.135 18521 10550 1 11 . 1 1 146 146 GLN CB C 146 29.312 29.312 28.440 0.872 18521 10551 1 11 . 1 1 146 146 GLN H H 146 8.407 8.407 7.450 0.957 18521 10552 1 11 . 1 1 147 147 GLY N N 147 108.998 108.998 109.386 -0.388 18521 10553 1 11 . 1 1 147 147 GLY HA H 147 3.471 3.471 3.821 -0.350 18521 10554 1 11 . 1 1 147 147 GLY C C 147 175.794 175.794 176.850 -1.056 18521 10555 1 11 . 1 1 147 147 GLY CA C 147 47.525 47.525 48.114 -0.588 18521 10556 1 11 . 1 1 147 147 GLY CB C 147 41.801 41.801 41.522 0.279 18521 10557 1 11 . 1 1 147 147 GLY H H 147 8.059 8.059 7.643 0.416 18521 10558 1 11 . 1 1 148 148 ASP N N 148 124.022 124.022 118.774 5.248 18521 10559 1 11 . 1 1 148 148 ASP HA H 148 4.342 4.342 4.143 0.199 18521 10560 1 11 . 1 1 148 148 ASP C C 148 175.607 175.607 178.530 -2.923 18521 10561 1 11 . 1 1 148 148 ASP CA C 148 57.252 57.252 57.456 -0.204 18521 10562 1 11 . 1 1 148 148 ASP CB C 148 39.918 39.918 40.391 -0.473 18521 10563 1 11 . 1 1 148 148 ASP H H 148 8.522 8.522 8.578 -0.056 18521 10564 1 11 . 1 1 149 149 GLU N N 149 121.333 121.333 119.949 1.384 18521 10565 1 11 . 1 1 149 149 GLU HA H 149 4.008 4.008 3.962 0.046 18521 10566 1 11 . 1 1 149 149 GLU C C 149 175.652 175.652 178.764 -3.112 18521 10567 1 11 . 1 1 149 149 GLU CA C 149 59.394 59.394 59.618 -0.224 18521 10568 1 11 . 1 1 149 149 GLU CB C 149 32.048 32.048 32.260 -0.212 18521 10569 1 11 . 1 1 149 149 GLU H H 149 7.768 7.768 8.093 -0.325 18521 10570 1 11 . 1 1 150 150 LEU N N 150 120.820 120.820 119.268 1.552 18521 10571 1 11 . 1 1 150 150 LEU HA H 150 3.718 3.718 4.025 -0.307 18521 10572 1 11 . 1 1 150 150 LEU C C 150 179.476 179.476 179.402 0.074 18521 10573 1 11 . 1 1 150 150 LEU CA C 150 57.656 57.656 57.906 -0.250 18521 10574 1 11 . 1 1 150 150 LEU CB C 150 28.936 28.936 29.680 -0.744 18521 10575 1 11 . 1 1 150 150 LEU H H 150 8.113 8.113 7.316 0.797 18521 10576 1 11 . 1 1 151 151 GLN N N 151 118.698 118.698 119.682 -0.984 18521 10577 1 11 . 1 1 151 151 GLN HA H 151 3.990 3.990 3.601 0.389 18521 10578 1 11 . 1 1 151 151 GLN C C 151 178.418 178.418 177.944 0.474 18521 10579 1 11 . 1 1 151 151 GLN CA C 151 58.570 58.570 59.532 -0.962 18521 10580 1 11 . 1 1 151 151 GLN CB C 151 38.409 38.409 37.439 0.970 18521 10581 1 11 . 1 1 151 151 GLN H H 151 8.282 8.282 7.663 0.619 18521 10582 1 11 . 1 1 152 152 GLU N N 152 120.750 120.750 120.003 0.747 18521 10583 1 11 . 1 1 152 152 GLU HA H 152 4.035 4.035 3.969 0.066 18521 10584 1 11 . 1 1 152 152 GLU C C 152 178.916 178.916 178.952 -0.036 18521 10585 1 11 . 1 1 152 152 GLU CA C 152 59.223 59.223 59.335 -0.112 18521 10586 1 11 . 1 1 152 152 GLU CB C 152 29.322 29.322 29.154 0.168 18521 10587 1 11 . 1 1 152 152 GLU H H 152 7.499 7.499 8.241 -0.742 18521 10588 1 11 . 1 1 153 153 VAL N N 153 120.317 120.317 120.539 -0.222 18521 10589 1 11 . 1 1 153 153 VAL HA H 153 3.695 3.695 3.812 -0.117 18521 10590 1 11 . 1 1 153 153 VAL C C 153 178.846 178.846 178.275 0.571 18521 10591 1 11 . 1 1 153 153 VAL CA C 153 65.832 65.832 66.809 -0.977 18521 10592 1 11 . 1 1 153 153 VAL CB C 153 31.921 31.921 31.737 0.184 18521 10593 1 11 . 1 1 153 153 VAL H H 153 7.763 7.763 8.407 -0.644 18521 10594 1 11 . 1 1 154 154 LEU N N 154 121.374 121.374 119.470 1.904 18521 10595 1 11 . 1 1 154 154 LEU HA H 154 3.917 3.917 3.969 -0.052 18521 10596 1 11 . 1 1 154 154 LEU C C 154 178.836 178.836 178.305 0.531 18521 10597 1 11 . 1 1 154 154 LEU CA C 154 57.439 57.439 59.109 -1.670 18521 10598 1 11 . 1 1 154 154 LEU CB C 154 41.797 41.797 41.532 0.265 18521 10599 1 11 . 1 1 154 154 LEU H H 154 7.731 7.731 7.945 -0.214 18521 10600 1 11 . 1 1 155 155 ALA N N 155 121.695 121.695 123.925 -2.230 18521 10601 1 11 . 1 1 155 155 ALA HA H 155 4.145 4.145 3.828 0.317 18521 10602 1 11 . 1 1 155 155 ALA C C 155 179.502 179.502 179.897 -0.395 18521 10603 1 11 . 1 1 155 155 ALA CA C 155 54.175 54.175 55.352 -1.177 18521 10604 1 11 . 1 1 155 155 ALA CB C 155 18.499 18.499 18.691 -0.192 18521 10605 1 11 . 1 1 155 155 ALA H H 155 7.896 7.896 7.791 0.105 18521 10606 1 11 . 1 1 156 156 MET N N 156 117.652 117.652 118.790 -1.138 18521 10607 1 11 . 1 1 156 156 MET HA H 156 4.228 4.228 3.895 0.333 18521 10608 1 11 . 1 1 156 156 MET C C 156 177.366 177.366 178.206 -0.840 18521 10609 1 11 . 1 1 156 156 MET CA C 156 57.306 57.306 59.245 -1.939 18521 10610 1 11 . 1 1 156 156 MET CB C 156 32.373 32.373 32.537 -0.164 18521 10611 1 11 . 1 1 156 156 MET H H 156 7.778 7.778 8.371 -0.593 18521 10612 1 11 . 1 1 157 157 ASN N N 157 117.853 117.853 117.608 0.245 18521 10613 1 11 . 1 1 157 157 ASN HA H 157 4.588 4.588 4.240 0.348 18521 10614 1 11 . 1 1 157 157 ASN C C 157 175.211 175.211 177.571 -2.360 18521 10615 1 11 . 1 1 157 157 ASN CA C 157 54.068 54.068 57.434 -3.366 18521 10616 1 11 . 1 1 157 157 ASN CB C 157 39.125 39.125 38.394 0.731 18521 10617 1 11 . 1 1 157 157 ASN H H 157 8.009 8.009 8.329 -0.320 18521 10618 1 11 . 1 1 158 158 ASN N N 158 117.684 117.684 116.940 0.744 18521 10619 1 11 . 1 1 158 158 ASN HA H 158 4.612 4.612 4.367 0.245 18521 10620 1 11 . 1 1 158 158 ASN C C 158 174.669 174.669 177.428 -2.759 18521 10621 1 11 . 1 1 158 158 ASN CA C 158 53.554 53.554 56.243 -2.689 18521 10622 1 11 . 1 1 158 158 ASN CB C 158 39.343 39.343 37.957 1.386 18521 10623 1 11 . 1 1 158 158 ASN H H 158 7.951 7.951 8.643 -0.692 18521 10624 1 11 . 1 1 159 159 ASN N N 159 119.399 119.399 116.626 2.773 18521 10625 1 11 . 1 1 159 159 ASN HA H 159 4.583 4.583 4.438 0.145 18521 10626 1 11 . 1 1 159 159 ASN C C 159 175.563 175.563 177.593 -2.030 18521 10627 1 11 . 1 1 159 159 ASN CA C 159 53.901 53.901 56.516 -2.615 18521 10628 1 11 . 1 1 159 159 ASN CB C 159 38.425 38.425 37.980 0.445 18521 10629 1 11 . 1 1 159 159 ASN H H 159 8.319 8.319 7.528 0.791 18521 10630 1 11 . 1 1 160 160 SER N N 160 115.453 115.453 117.154 -1.701 18521 10631 1 11 . 1 1 160 160 SER HA H 160 4.324 4.324 4.058 0.266 18521 10632 1 11 . 1 1 160 160 SER C C 160 174.952 174.952 176.983 -2.031 18521 10633 1 11 . 1 1 160 160 SER CA C 160 58.851 58.851 61.227 -2.376 18521 10634 1 11 . 1 1 160 160 SER CB C 160 63.704 63.704 62.871 0.833 18521 10635 1 11 . 1 1 160 160 SER H H 160 8.297 8.297 7.418 0.879 18521 10636 1 11 . 1 1 161 161 GLY N N 161 110.851 110.851 106.467 4.384 18521 10637 1 11 . 1 1 161 161 GLY HA H 161 4.146 4.146 4.058 0.088 18521 10638 1 11 . 1 1 161 161 GLY C C 161 173.974 173.974 177.695 -3.721 18521 10639 1 11 . 1 1 161 161 GLY CA C 161 45.348 45.348 48.034 -2.686 18521 10640 1 11 . 1 1 161 161 GLY CB C 161 42.245 42.245 41.719 0.526 18521 10641 1 11 . 1 1 161 161 GLY H H 161 8.328 8.328 8.042 0.286 18521 10642 1 11 . 1 1 162 162 GLU N N 162 120.859 120.859 118.204 2.655 18521 10643 1 11 . 1 1 162 162 GLU HA H 162 4.211 4.211 4.187 0.024 18521 10644 1 11 . 1 1 162 162 GLU C C 162 177.522 177.522 177.347 0.175 18521 10645 1 11 . 1 1 162 162 GLU CA C 162 56.065 56.065 58.894 -2.829 18521 10646 1 11 . 1 1 162 162 GLU CB C 162 29.852 29.852 28.845 1.007 18521 10647 1 11 . 1 1 162 162 GLU H H 162 8.244 8.244 7.942 0.302 18521 10648 1 11 . 1 1 163 163 LEU N N 163 124.226 124.226 118.014 6.212 18521 10649 1 11 . 1 1 163 163 LEU HA H 163 3.889 3.889 4.271 -0.382 18521 10650 1 11 . 1 1 163 163 LEU C C 163 178.043 178.043 177.041 1.002 18521 10651 1 11 . 1 1 163 163 LEU CA C 163 57.163 57.163 54.746 2.417 18521 10652 1 11 . 1 1 163 163 LEU CB C 163 41.840 41.840 42.245 -0.405 18521 10653 1 11 . 1 1 163 163 LEU H H 163 8.337 8.337 7.699 0.638 18521 10654 1 11 . 1 1 164 164 ASP N N 164 116.994 116.994 119.066 -2.072 18521 10655 1 11 . 1 1 164 164 ASP HA H 164 4.327 4.327 4.273 0.054 18521 10656 1 11 . 1 1 164 164 ASP C C 164 176.423 176.423 176.822 -0.399 18521 10657 1 11 . 1 1 164 164 ASP CA C 164 55.427 55.427 54.681 0.746 18521 10658 1 11 . 1 1 164 164 ASP H H 164 8.188 8.188 7.861 0.327 18521 10659 1 11 . 1 1 165 165 ASP N N 165 118.967 118.967 118.557 0.410 18521 10660 1 11 . 1 1 165 165 ASP HA H 165 4.443 4.443 4.502 -0.059 18521 10661 1 11 . 1 1 165 165 ASP C C 165 175.654 175.654 176.287 -0.633 18521 10662 1 11 . 1 1 165 165 ASP CA C 165 54.707 54.707 54.974 -0.267 18521 10663 1 11 . 1 1 165 165 ASP CB C 165 40.973 40.973 41.148 -0.175 18521 10664 1 11 . 1 1 165 165 ASP H H 165 7.701 7.701 7.830 -0.129 18521 10665 1 11 . 1 1 166 166 ILE N N 166 122.002 122.002 119.822 2.180 18521 10666 1 11 . 1 1 166 166 ILE HA H 166 4.049 4.049 3.843 0.206 18521 10667 1 11 . 1 1 166 166 ILE C C 166 175.180 175.180 174.978 0.202 18521 10668 1 11 . 1 1 166 166 ILE CA C 166 60.396 60.396 59.549 0.847 18521 10669 1 11 . 1 1 166 166 ILE CB C 166 39.185 39.185 36.897 2.288 18521 10670 1 11 . 1 1 166 166 ILE H H 166 7.388 7.388 7.372 0.016 18521 10671 1 12 . 1 1 2 2 ALA N N 2 122.445 122.445 122.802 -0.357 18521 10672 1 12 . 1 1 2 2 ALA HA H 2 4.045 4.045 4.343 -0.298 18521 10673 1 12 . 1 1 2 2 ALA C C 2 179.992 179.992 178.955 1.037 18521 10674 1 12 . 1 1 2 2 ALA CA C 2 55.140 55.140 55.007 0.133 18521 10675 1 12 . 1 1 2 2 ALA CB C 2 18.482 18.482 18.871 -0.389 18521 10676 1 12 . 1 1 2 2 ALA H H 2 8.545 8.545 8.630 -0.085 18521 10677 1 12 . 1 1 3 3 SER N N 3 115.544 115.544 114.253 1.291 18521 10678 1 12 . 1 1 3 3 SER HA H 3 4.030 4.030 4.138 -0.108 18521 10679 1 12 . 1 1 3 3 SER C C 3 176.584 176.584 176.488 0.096 18521 10680 1 12 . 1 1 3 3 SER CA C 3 60.748 60.748 62.025 -1.277 18521 10681 1 12 . 1 1 3 3 SER CB C 3 62.416 62.416 62.510 -0.094 18521 10682 1 12 . 1 1 3 3 SER H H 3 8.009 8.009 8.479 -0.470 18521 10683 1 12 . 1 1 4 4 ASN N N 4 123.103 123.103 119.505 3.598 18521 10684 1 12 . 1 1 4 4 ASN HA H 4 4.318 4.318 4.436 -0.118 18521 10685 1 12 . 1 1 4 4 ASN C C 4 176.215 176.215 177.124 -0.909 18521 10686 1 12 . 1 1 4 4 ASN CA C 4 55.580 55.580 56.531 -0.951 18521 10687 1 12 . 1 1 4 4 ASN CB C 4 38.154 38.154 38.179 -0.025 18521 10688 1 12 . 1 1 4 4 ASN H H 4 7.965 7.965 7.684 0.281 18521 10689 1 12 . 1 1 5 5 ALA N N 5 122.314 122.314 122.231 0.083 18521 10690 1 12 . 1 1 5 5 ALA HA H 5 3.560 3.560 3.962 -0.403 18521 10691 1 12 . 1 1 5 5 ALA C C 5 178.543 178.543 179.010 -0.467 18521 10692 1 12 . 1 1 5 5 ALA CA C 5 55.774 55.774 55.293 0.481 18521 10693 1 12 . 1 1 5 5 ALA CB C 5 17.638 17.638 18.212 -0.574 18521 10694 1 12 . 1 1 5 5 ALA H H 5 8.721 8.721 7.535 1.186 18521 10695 1 12 . 1 1 6 6 ALA N N 6 117.886 117.886 121.412 -3.526 18521 10696 1 12 . 1 1 6 6 ALA HA H 6 3.784 3.784 4.059 -0.275 18521 10697 1 12 . 1 1 6 6 ALA C C 6 180.378 180.378 179.571 0.807 18521 10698 1 12 . 1 1 6 6 ALA CA C 6 55.240 55.240 54.916 0.324 18521 10699 1 12 . 1 1 6 6 ALA CB C 6 17.890 17.890 18.013 -0.123 18521 10700 1 12 . 1 1 6 6 ALA H H 6 7.891 7.891 7.397 0.494 18521 10701 1 12 . 1 1 7 7 ARG N N 7 120.992 120.992 119.419 1.573 18521 10702 1 12 . 1 1 7 7 ARG HA H 7 3.770 3.770 4.028 -0.258 18521 10703 1 12 . 1 1 7 7 ARG C C 7 179.531 179.531 178.574 0.957 18521 10704 1 12 . 1 1 7 7 ARG CA C 7 59.249 59.249 59.404 -0.155 18521 10705 1 12 . 1 1 7 7 ARG CB C 7 29.546 29.546 30.375 -0.830 18521 10706 1 12 . 1 1 7 7 ARG H H 7 7.503 7.503 7.872 -0.369 18521 10707 1 12 . 1 1 8 8 VAL N N 8 123.707 123.707 119.847 3.860 18521 10708 1 12 . 1 1 8 8 VAL HA H 8 3.285 3.285 3.736 -0.451 18521 10709 1 12 . 1 1 8 8 VAL C C 8 177.740 177.740 178.078 -0.338 18521 10710 1 12 . 1 1 8 8 VAL CA C 8 67.839 67.839 67.261 0.578 18521 10711 1 12 . 1 1 8 8 VAL CB C 8 31.516 31.516 31.813 -0.297 18521 10712 1 12 . 1 1 8 8 VAL H H 8 8.176 8.176 8.174 0.002 18521 10713 1 12 . 1 1 9 9 VAL N N 9 119.893 119.893 120.395 -0.502 18521 10714 1 12 . 1 1 9 9 VAL HA H 9 3.286 3.286 3.607 -0.321 18521 10715 1 12 . 1 1 9 9 VAL C C 9 177.535 177.535 177.812 -0.277 18521 10716 1 12 . 1 1 9 9 VAL CA C 9 67.549 67.549 66.072 1.477 18521 10717 1 12 . 1 1 9 9 VAL CB C 9 31.683 31.683 30.751 0.932 18521 10718 1 12 . 1 1 9 9 VAL H H 9 8.329 8.329 7.563 0.766 18521 10719 1 12 . 1 1 10 10 ALA N N 10 122.541 122.541 121.495 1.046 18521 10720 1 12 . 1 1 10 10 ALA HA H 10 3.971 3.971 4.112 -0.141 18521 10721 1 12 . 1 1 10 10 ALA C C 10 177.093 177.093 179.839 -2.746 18521 10722 1 12 . 1 1 10 10 ALA CA C 10 55.448 55.448 55.532 -0.083 18521 10723 1 12 . 1 1 10 10 ALA CB C 10 17.791 17.791 18.357 -0.566 18521 10724 1 12 . 1 1 10 10 ALA H H 10 7.802 7.802 8.106 -0.304 18521 10725 1 12 . 1 1 11 11 THR N N 11 116.946 116.946 115.472 1.474 18521 10726 1 12 . 1 1 11 11 THR HA H 11 3.821 3.821 4.007 -0.186 18521 10727 1 12 . 1 1 11 11 THR C C 11 175.702 175.702 176.675 -0.973 18521 10728 1 12 . 1 1 11 11 THR CA C 11 66.531 66.531 66.101 0.430 18521 10729 1 12 . 1 1 11 11 THR CB C 11 68.493 68.493 68.449 0.044 18521 10730 1 12 . 1 1 11 11 THR H H 11 8.187 8.187 8.587 -0.400 18521 10731 1 12 . 1 1 12 12 ALA N N 12 125.357 125.357 124.423 0.934 18521 10732 1 12 . 1 1 12 12 ALA HA H 12 4.003 4.003 4.059 -0.056 18521 10733 1 12 . 1 1 12 12 ALA C C 12 179.401 179.401 179.343 0.058 18521 10734 1 12 . 1 1 12 12 ALA CA C 12 56.083 56.083 55.368 0.715 18521 10735 1 12 . 1 1 12 12 ALA CB C 12 18.855 18.855 18.209 0.646 18521 10736 1 12 . 1 1 12 12 ALA H H 12 8.641 8.641 8.566 0.075 18521 10737 1 12 . 1 1 13 13 LYS N N 13 117.246 117.246 117.429 -0.183 18521 10738 1 12 . 1 1 13 13 LYS HA H 13 3.964 3.964 4.009 -0.045 18521 10739 1 12 . 1 1 13 13 LYS C C 13 180.132 180.132 178.394 1.738 18521 10740 1 12 . 1 1 13 13 LYS CA C 13 58.991 58.991 59.576 -0.585 18521 10741 1 12 . 1 1 13 13 LYS CB C 13 32.014 32.014 32.056 -0.042 18521 10742 1 12 . 1 1 13 13 LYS H H 13 7.961 7.961 7.656 0.305 18521 10743 1 12 . 1 1 14 14 ASP N N 14 122.162 122.162 119.863 2.299 18521 10744 1 12 . 1 1 14 14 ASP HA H 14 4.355 4.355 4.398 -0.043 18521 10745 1 12 . 1 1 14 14 ASP C C 14 179.394 179.394 178.317 1.077 18521 10746 1 12 . 1 1 14 14 ASP CA C 14 57.524 57.524 56.912 0.612 18521 10747 1 12 . 1 1 14 14 ASP CB C 14 39.984 39.984 40.404 -0.419 18521 10748 1 12 . 1 1 14 14 ASP H H 14 7.702 7.702 7.833 -0.131 18521 10749 1 12 . 1 1 15 15 PHE N N 15 119.552 119.552 117.861 1.691 18521 10750 1 12 . 1 1 15 15 PHE HA H 15 4.307 4.307 4.223 0.084 18521 10751 1 12 . 1 1 15 15 PHE C C 15 178.383 178.383 177.925 0.458 18521 10752 1 12 . 1 1 15 15 PHE CA C 15 62.313 62.313 61.432 0.881 18521 10753 1 12 . 1 1 15 15 PHE CB C 15 37.340 37.340 38.836 -1.496 18521 10754 1 12 . 1 1 15 15 PHE H H 15 7.970 7.970 7.524 0.446 18521 10755 1 12 . 1 1 16 16 ASP N N 16 121.464 121.464 119.602 1.862 18521 10756 1 12 . 1 1 16 16 ASP HA H 16 4.016 4.016 4.432 -0.416 18521 10757 1 12 . 1 1 16 16 ASP C C 16 179.923 179.923 179.254 0.669 18521 10758 1 12 . 1 1 16 16 ASP CA C 16 58.030 58.030 57.194 0.836 18521 10759 1 12 . 1 1 16 16 ASP CB C 16 41.407 41.407 40.649 0.758 18521 10760 1 12 . 1 1 16 16 ASP H H 16 8.259 8.259 7.825 0.434 18521 10761 1 12 . 1 1 17 17 LYS N N 17 118.806 118.806 120.259 -1.453 18521 10762 1 12 . 1 1 17 17 LYS HA H 17 4.047 4.047 4.123 -0.076 18521 10763 1 12 . 1 1 17 17 LYS C C 17 178.432 178.432 177.801 0.631 18521 10764 1 12 . 1 1 17 17 LYS CA C 17 59.018 59.018 59.076 -0.058 18521 10765 1 12 . 1 1 17 17 LYS CB C 17 32.592 32.592 32.633 -0.041 18521 10766 1 12 . 1 1 17 17 LYS H H 17 7.842 7.842 7.732 0.110 18521 10767 1 12 . 1 1 18 18 VAL N N 18 110.416 110.416 117.110 -6.694 18521 10768 1 12 . 1 1 18 18 VAL HA H 18 4.523 4.523 4.081 0.442 18521 10769 1 12 . 1 1 18 18 VAL C C 18 176.089 176.089 175.620 0.469 18521 10770 1 12 . 1 1 18 18 VAL CA C 18 60.797 60.797 62.804 -2.007 18521 10771 1 12 . 1 1 18 18 VAL CB C 18 31.194 31.194 32.198 -1.004 18521 10772 1 12 . 1 1 18 18 VAL H H 18 7.198 7.198 7.319 -0.121 18521 10773 1 12 . 1 1 19 19 GLY N N 19 109.008 109.008 107.595 1.413 18521 10774 1 12 . 1 1 19 19 GLY C C 19 175.070 175.070 174.811 0.259 18521 10775 1 12 . 1 1 19 19 GLY CA C 19 45.842 45.842 45.422 0.420 18521 10776 1 12 . 1 1 19 19 GLY H H 19 7.731 7.731 7.674 0.057 18521 10777 1 12 . 1 1 20 20 LEU N N 20 125.244 125.244 123.016 2.228 18521 10778 1 12 . 1 1 20 20 LEU HA H 20 4.938 4.938 4.612 0.326 18521 10779 1 12 . 1 1 20 20 LEU C C 20 177.890 177.890 176.975 0.915 18521 10780 1 12 . 1 1 20 20 LEU CA C 20 52.674 52.674 53.131 -0.457 18521 10781 1 12 . 1 1 20 20 LEU CB C 20 40.239 40.239 39.952 0.287 18521 10782 1 12 . 1 1 20 20 LEU H H 20 8.102 8.102 8.427 -0.325 18521 10783 1 12 . 1 1 21 21 GLY N N 21 108.031 108.031 109.670 -1.639 18521 10784 1 12 . 1 1 21 21 GLY C C 21 176.174 176.174 175.882 0.292 18521 10785 1 12 . 1 1 21 21 GLY CA C 21 47.352 47.352 47.476 -0.124 18521 10786 1 12 . 1 1 21 21 GLY H H 21 8.046 8.046 7.973 0.073 18521 10787 1 12 . 1 1 22 22 ILE N N 22 121.173 121.173 122.000 -0.827 18521 10788 1 12 . 1 1 22 22 ILE HA H 22 3.944 3.944 3.746 0.198 18521 10789 1 12 . 1 1 22 22 ILE C C 22 176.119 176.119 177.631 -1.512 18521 10790 1 12 . 1 1 22 22 ILE CA C 22 61.179 61.179 64.715 -3.536 18521 10791 1 12 . 1 1 22 22 ILE CB C 22 35.934 35.934 37.928 -1.994 18521 10792 1 12 . 1 1 22 22 ILE H H 22 8.395 8.395 8.040 0.355 18521 10793 1 12 . 1 1 23 23 ILE N N 23 120.647 120.647 120.337 0.310 18521 10794 1 12 . 1 1 23 23 ILE HA H 23 3.713 3.713 3.813 -0.100 18521 10795 1 12 . 1 1 23 23 ILE C C 23 178.458 178.458 178.551 -0.093 18521 10796 1 12 . 1 1 23 23 ILE CA C 23 64.266 64.266 62.181 2.085 18521 10797 1 12 . 1 1 23 23 ILE CB C 23 36.272 36.272 36.136 0.135 18521 10798 1 12 . 1 1 23 23 ILE H H 23 6.824 6.824 7.544 -0.720 18521 10799 1 12 . 1 1 24 24 GLY N N 24 103.326 103.326 107.920 -4.594 18521 10800 1 12 . 1 1 24 24 GLY C C 24 174.914 174.914 175.617 -0.703 18521 10801 1 12 . 1 1 24 24 GLY CA C 24 47.998 47.998 47.079 0.919 18521 10802 1 12 . 1 1 24 24 GLY H H 24 7.412 7.412 7.874 -0.462 18521 10803 1 12 . 1 1 25 25 TYR N N 25 124.188 124.188 124.102 0.086 18521 10804 1 12 . 1 1 25 25 TYR HA H 25 3.734 3.734 3.732 0.001 18521 10805 1 12 . 1 1 25 25 TYR C C 25 176.055 176.055 177.165 -1.110 18521 10806 1 12 . 1 1 25 25 TYR CA C 25 60.962 60.962 60.676 0.286 18521 10807 1 12 . 1 1 25 25 TYR CB C 25 37.888 37.888 37.675 0.213 18521 10808 1 12 . 1 1 25 25 TYR H H 25 7.861 7.861 8.249 -0.388 18521 10809 1 12 . 1 1 26 26 TYR N N 26 117.390 117.390 117.258 0.132 18521 10810 1 12 . 1 1 26 26 TYR HA H 26 3.881 3.881 3.909 -0.028 18521 10811 1 12 . 1 1 26 26 TYR C C 26 178.653 178.653 177.990 0.663 18521 10812 1 12 . 1 1 26 26 TYR CA C 26 64.270 64.270 62.420 1.850 18521 10813 1 12 . 1 1 26 26 TYR CB C 26 37.453 37.453 38.172 -0.719 18521 10814 1 12 . 1 1 26 26 TYR H H 26 7.594 7.594 7.600 -0.006 18521 10815 1 12 . 1 1 27 27 LEU N N 27 118.536 118.536 119.589 -1.053 18521 10816 1 12 . 1 1 27 27 LEU HA H 27 4.277 4.277 3.747 0.530 18521 10817 1 12 . 1 1 27 27 LEU C C 27 179.025 179.025 178.889 0.136 18521 10818 1 12 . 1 1 27 27 LEU CA C 27 58.382 58.382 58.139 0.243 18521 10819 1 12 . 1 1 27 27 LEU CB C 27 42.595 42.595 41.059 1.536 18521 10820 1 12 . 1 1 27 27 LEU H H 27 8.226 8.226 7.869 0.357 18521 10821 1 12 . 1 1 28 28 GLN N N 28 119.110 119.110 118.049 1.061 18521 10822 1 12 . 1 1 28 28 GLN HA H 28 3.665 3.665 3.828 -0.163 18521 10823 1 12 . 1 1 28 28 GLN C C 28 177.406 177.406 178.362 -0.956 18521 10824 1 12 . 1 1 28 28 GLN CA C 28 60.626 60.626 59.033 1.593 18521 10825 1 12 . 1 1 28 28 GLN CB C 28 28.959 28.959 28.549 0.410 18521 10826 1 12 . 1 1 28 28 GLN H H 28 8.007 8.007 8.322 -0.315 18521 10827 1 12 . 1 1 29 29 LEU N N 29 121.623 121.623 120.713 0.910 18521 10828 1 12 . 1 1 29 29 LEU HA H 29 3.718 3.718 3.855 -0.137 18521 10829 1 12 . 1 1 29 29 LEU C C 29 179.706 179.706 177.969 1.737 18521 10830 1 12 . 1 1 29 29 LEU CA C 29 58.382 58.382 57.435 0.947 18521 10831 1 12 . 1 1 29 29 LEU CB C 29 42.114 42.114 41.426 0.688 18521 10832 1 12 . 1 1 29 29 LEU H H 29 7.938 7.938 7.343 0.595 18521 10833 1 12 . 1 1 30 30 TYR N N 30 120.084 120.084 120.389 -0.305 18521 10834 1 12 . 1 1 30 30 TYR HA H 30 4.132 4.132 3.826 0.306 18521 10835 1 12 . 1 1 30 30 TYR C C 30 175.611 175.611 176.929 -1.318 18521 10836 1 12 . 1 1 30 30 TYR CA C 30 58.951 58.951 60.998 -2.047 18521 10837 1 12 . 1 1 30 30 TYR CB C 30 39.302 39.302 37.951 1.351 18521 10838 1 12 . 1 1 30 30 TYR H H 30 7.974 7.974 8.045 -0.071 18521 10839 1 12 . 1 1 31 31 ALA N N 31 121.802 121.802 121.210 0.592 18521 10840 1 12 . 1 1 31 31 ALA HA H 31 3.343 3.343 3.699 -0.356 18521 10841 1 12 . 1 1 31 31 ALA C C 31 178.911 178.911 179.278 -0.367 18521 10842 1 12 . 1 1 31 31 ALA CA C 31 55.429 55.429 54.999 0.430 18521 10843 1 12 . 1 1 31 31 ALA CB C 31 17.895 17.895 17.913 -0.018 18521 10844 1 12 . 1 1 31 31 ALA H H 31 8.504 8.504 8.222 0.282 18521 10845 1 12 . 1 1 32 32 VAL N N 32 116.528 116.528 118.812 -2.284 18521 10846 1 12 . 1 1 32 32 VAL HA H 32 3.249 3.249 3.430 -0.181 18521 10847 1 12 . 1 1 32 32 VAL C C 32 176.963 176.963 177.959 -0.996 18521 10848 1 12 . 1 1 32 32 VAL CA C 32 67.723 67.723 67.214 0.509 18521 10849 1 12 . 1 1 32 32 VAL CB C 32 31.403 31.403 31.467 -0.064 18521 10850 1 12 . 1 1 32 32 VAL H H 32 8.027 8.027 7.669 0.358 18521 10851 1 12 . 1 1 33 33 GLU N N 33 118.609 118.609 119.623 -1.014 18521 10852 1 12 . 1 1 33 33 GLU HA H 33 3.804 3.804 3.920 -0.116 18521 10853 1 12 . 1 1 33 33 GLU C C 33 180.234 180.234 179.254 0.980 18521 10854 1 12 . 1 1 33 33 GLU CA C 33 59.446 59.446 59.358 0.088 18521 10855 1 12 . 1 1 33 33 GLU CB C 33 28.711 28.711 29.363 -0.652 18521 10856 1 12 . 1 1 33 33 GLU H H 33 7.299 7.299 7.522 -0.223 18521 10857 1 12 . 1 1 34 34 LEU N N 34 120.831 120.831 120.644 0.187 18521 10858 1 12 . 1 1 34 34 LEU HA H 34 3.702 3.702 3.812 -0.110 18521 10859 1 12 . 1 1 34 34 LEU C C 34 180.024 180.024 178.914 1.110 18521 10860 1 12 . 1 1 34 34 LEU CA C 34 57.815 57.815 58.169 -0.354 18521 10861 1 12 . 1 1 34 34 LEU CB C 34 42.097 42.097 41.424 0.673 18521 10862 1 12 . 1 1 34 34 LEU H H 34 8.168 8.168 7.283 0.885 18521 10863 1 12 . 1 1 35 35 ILE N N 35 120.733 120.733 118.428 2.305 18521 10864 1 12 . 1 1 35 35 ILE HA H 35 3.589 3.589 3.577 0.012 18521 10865 1 12 . 1 1 35 35 ILE C C 35 178.501 178.501 178.816 -0.315 18521 10866 1 12 . 1 1 35 35 ILE CA C 35 65.363 65.363 65.192 0.171 18521 10867 1 12 . 1 1 35 35 ILE CB C 35 38.960 38.960 37.788 1.172 18521 10868 1 12 . 1 1 35 35 ILE H H 35 8.064 8.064 7.372 0.692 18521 10869 1 12 . 1 1 36 36 LEU N N 36 115.519 115.519 119.573 -4.054 18521 10870 1 12 . 1 1 36 36 LEU HA H 36 3.958 3.958 3.998 -0.040 18521 10871 1 12 . 1 1 36 36 LEU C C 36 178.244 178.244 178.533 -0.289 18521 10872 1 12 . 1 1 36 36 LEU CA C 36 56.069 56.069 57.278 -1.209 18521 10873 1 12 . 1 1 36 36 LEU CB C 36 40.528 40.528 41.622 -1.094 18521 10874 1 12 . 1 1 36 36 LEU H H 36 8.370 8.370 7.793 0.577 18521 10875 1 12 . 1 1 37 37 SER N N 37 113.976 113.976 111.592 2.384 18521 10876 1 12 . 1 1 37 37 SER HA H 37 4.197 4.197 4.288 -0.091 18521 10877 1 12 . 1 1 37 37 SER C C 37 173.934 173.934 174.423 -0.489 18521 10878 1 12 . 1 1 37 37 SER CA C 37 60.204 60.204 59.672 0.532 18521 10879 1 12 . 1 1 37 37 SER CB C 37 63.507 63.507 63.606 -0.099 18521 10880 1 12 . 1 1 37 37 SER H H 37 7.523 7.523 7.889 -0.366 18521 10881 1 12 . 1 1 38 38 GLU N N 38 123.219 123.219 120.815 2.404 18521 10882 1 12 . 1 1 38 38 GLU HA H 38 4.426 4.426 4.395 0.031 18521 10883 1 12 . 1 1 38 38 GLU C C 38 175.767 175.767 175.467 0.300 18521 10884 1 12 . 1 1 38 38 GLU CA C 38 55.046 55.046 56.082 -1.036 18521 10885 1 12 . 1 1 38 38 GLU CB C 38 30.395 30.395 30.217 0.178 18521 10886 1 12 . 1 1 38 38 GLU H H 38 7.185 7.185 7.509 -0.324 18521 10887 1 12 . 1 1 39 39 GLU N N 39 126.955 126.955 124.097 2.858 18521 10888 1 12 . 1 1 39 39 GLU HA H 39 3.985 3.985 4.030 -0.045 18521 10889 1 12 . 1 1 39 39 GLU C C 39 176.861 176.861 176.074 0.787 18521 10890 1 12 . 1 1 39 39 GLU CA C 39 58.331 58.331 58.234 0.097 18521 10891 1 12 . 1 1 39 39 GLU CB C 39 30.008 30.008 30.169 -0.161 18521 10892 1 12 . 1 1 39 39 GLU H H 39 8.632 8.632 8.641 -0.009 18521 10893 1 12 . 1 1 40 40 ASP N N 40 119.763 119.763 120.056 -0.293 18521 10894 1 12 . 1 1 40 40 ASP HA H 40 4.616 4.616 4.689 -0.073 18521 10895 1 12 . 1 1 40 40 ASP C C 40 174.989 174.989 175.821 -0.832 18521 10896 1 12 . 1 1 40 40 ASP CA C 40 53.281 53.281 54.231 -0.950 18521 10897 1 12 . 1 1 40 40 ASP CB C 40 39.814 39.814 40.479 -0.665 18521 10898 1 12 . 1 1 40 40 ASP H H 40 8.560 8.560 8.180 0.380 18521 10899 1 12 . 1 1 41 41 ARG N N 41 119.595 119.595 122.261 -2.666 18521 10900 1 12 . 1 1 41 41 ARG HA H 41 4.390 4.390 4.591 -0.201 18521 10901 1 12 . 1 1 41 41 ARG C C 41 175.553 175.553 174.806 0.747 18521 10902 1 12 . 1 1 41 41 ARG CA C 41 54.707 54.707 55.324 -0.617 18521 10903 1 12 . 1 1 41 41 ARG CB C 41 31.865 31.865 33.806 -1.941 18521 10904 1 12 . 1 1 41 41 ARG H H 41 7.443 7.443 8.539 -1.096 18521 10905 1 12 . 1 1 42 42 SER N N 42 119.463 119.463 117.932 1.531 18521 10906 1 12 . 1 1 42 42 SER HA H 42 4.381 4.381 4.771 -0.390 18521 10907 1 12 . 1 1 42 42 SER C C 42 175.361 175.361 174.972 0.389 18521 10908 1 12 . 1 1 42 42 SER CA C 42 57.137 57.137 56.441 0.696 18521 10909 1 12 . 1 1 42 42 SER CB C 42 65.166 65.166 65.486 -0.320 18521 10910 1 12 . 1 1 42 42 SER H H 42 8.556 8.556 8.413 0.143 18521 10911 1 12 . 1 1 43 43 GLN N N 43 122.535 122.535 122.757 -0.222 18521 10912 1 12 . 1 1 43 43 GLN HA H 43 4.018 4.018 3.954 0.064 18521 10913 1 12 . 1 1 43 43 GLN C C 43 178.768 178.768 178.306 0.462 18521 10914 1 12 . 1 1 43 43 GLN CA C 43 59.073 59.073 59.235 -0.162 18521 10915 1 12 . 1 1 43 43 GLN CB C 43 27.871 27.871 28.693 -0.822 18521 10916 1 12 . 1 1 43 43 GLN H H 43 9.087 9.087 8.853 0.234 18521 10917 1 12 . 1 1 44 44 GLU N N 44 120.308 120.308 120.068 0.240 18521 10918 1 12 . 1 1 44 44 GLU HA H 44 3.982 3.982 4.158 -0.176 18521 10919 1 12 . 1 1 44 44 GLU C C 44 179.737 179.737 178.815 0.922 18521 10920 1 12 . 1 1 44 44 GLU CA C 44 60.142 60.142 59.236 0.905 18521 10921 1 12 . 1 1 44 44 GLU CB C 44 28.801 28.801 29.355 -0.554 18521 10922 1 12 . 1 1 44 44 GLU H H 44 8.958 8.958 8.672 0.286 18521 10923 1 12 . 1 1 45 45 MET N N 45 120.968 120.968 118.008 2.960 18521 10924 1 12 . 1 1 45 45 MET HA H 45 4.432 4.432 4.176 0.256 18521 10925 1 12 . 1 1 45 45 MET C C 45 178.153 178.153 178.792 -0.639 18521 10926 1 12 . 1 1 45 45 MET CA C 45 57.117 57.117 58.758 -1.641 18521 10927 1 12 . 1 1 45 45 MET CB C 45 32.517 32.517 32.630 -0.113 18521 10928 1 12 . 1 1 45 45 MET H H 45 7.740 7.740 7.956 -0.216 18521 10929 1 12 . 1 1 46 46 THR N N 46 120.159 120.159 115.968 4.191 18521 10930 1 12 . 1 1 46 46 THR HA H 46 3.620 3.620 3.954 -0.334 18521 10931 1 12 . 1 1 46 46 THR C C 46 176.389 176.389 176.363 0.026 18521 10932 1 12 . 1 1 46 46 THR CA C 46 67.416 67.416 66.901 0.515 18521 10933 1 12 . 1 1 46 46 THR CB C 46 68.208 68.208 68.540 -0.332 18521 10934 1 12 . 1 1 46 46 THR H H 46 8.190 8.190 8.660 -0.470 18521 10935 1 12 . 1 1 47 47 ALA N N 47 124.729 124.729 123.981 0.748 18521 10936 1 12 . 1 1 47 47 ALA HA H 47 4.060 4.060 4.162 -0.102 18521 10937 1 12 . 1 1 47 47 ALA C C 47 179.554 179.554 179.435 0.119 18521 10938 1 12 . 1 1 47 47 ALA CA C 47 55.195 55.195 54.860 0.335 18521 10939 1 12 . 1 1 47 47 ALA CB C 47 17.654 17.654 18.106 -0.452 18521 10940 1 12 . 1 1 47 47 ALA H H 47 8.292 8.292 7.891 0.401 18521 10941 1 12 . 1 1 48 48 LEU N N 48 122.244 122.244 120.755 1.489 18521 10942 1 12 . 1 1 48 48 LEU HA H 48 4.195 4.195 4.065 0.130 18521 10943 1 12 . 1 1 48 48 LEU C C 48 178.022 178.022 178.502 -0.480 18521 10944 1 12 . 1 1 48 48 LEU CA C 48 57.695 57.695 57.529 0.167 18521 10945 1 12 . 1 1 48 48 LEU CB C 48 41.236 41.236 41.705 -0.469 18521 10946 1 12 . 1 1 48 48 LEU H H 48 7.723 7.723 7.757 -0.034 18521 10947 1 12 . 1 1 49 49 ALA N N 49 120.883 120.883 120.535 0.348 18521 10948 1 12 . 1 1 49 49 ALA HA H 49 3.854 3.854 3.907 -0.053 18521 10949 1 12 . 1 1 49 49 ALA C C 49 178.770 178.770 179.402 -0.632 18521 10950 1 12 . 1 1 49 49 ALA CA C 49 55.836 55.836 55.135 0.701 18521 10951 1 12 . 1 1 49 49 ALA CB C 49 17.137 17.137 18.292 -1.155 18521 10952 1 12 . 1 1 49 49 ALA H H 49 8.210 8.210 7.935 0.275 18521 10953 1 12 . 1 1 50 50 THR N N 50 113.676 113.676 115.556 -1.880 18521 10954 1 12 . 1 1 50 50 THR HA H 50 3.765 3.765 3.823 -0.058 18521 10955 1 12 . 1 1 50 50 THR C C 50 175.836 175.836 176.430 -0.594 18521 10956 1 12 . 1 1 50 50 THR CA C 50 66.975 66.975 67.449 -0.474 18521 10957 1 12 . 1 1 50 50 THR CB C 50 68.976 68.976 68.706 0.270 18521 10958 1 12 . 1 1 50 50 THR H H 50 7.891 7.891 7.594 0.297 18521 10959 1 12 . 1 1 51 51 GLU N N 51 123.445 123.445 121.895 1.550 18521 10960 1 12 . 1 1 51 51 GLU HA H 51 4.221 4.221 4.018 0.203 18521 10961 1 12 . 1 1 51 51 GLU C C 51 179.906 179.906 178.897 1.009 18521 10962 1 12 . 1 1 51 51 GLU CA C 51 59.436 59.436 59.411 0.025 18521 10963 1 12 . 1 1 51 51 GLU CB C 51 29.498 29.498 29.621 -0.123 18521 10964 1 12 . 1 1 51 51 GLU H H 51 7.877 7.877 7.749 0.128 18521 10965 1 12 . 1 1 52 52 LEU N N 52 121.629 121.629 119.306 2.323 18521 10966 1 12 . 1 1 52 52 LEU HA H 52 3.907 3.907 4.037 -0.130 18521 10967 1 12 . 1 1 52 52 LEU C C 52 178.993 178.993 179.201 -0.208 18521 10968 1 12 . 1 1 52 52 LEU CA C 52 57.840 57.840 57.547 0.293 18521 10969 1 12 . 1 1 52 52 LEU CB C 52 42.076 42.076 41.842 0.234 18521 10970 1 12 . 1 1 52 52 LEU H H 52 8.670 8.670 7.483 1.187 18521 10971 1 12 . 1 1 53 53 LEU N N 53 119.996 119.996 119.564 0.432 18521 10972 1 12 . 1 1 53 53 LEU HA H 53 3.949 3.949 3.776 0.173 18521 10973 1 12 . 1 1 53 53 LEU C C 53 179.950 179.950 178.887 1.063 18521 10974 1 12 . 1 1 53 53 LEU CA C 53 58.480 58.480 58.065 0.416 18521 10975 1 12 . 1 1 53 53 LEU CB C 53 41.341 41.341 41.164 0.177 18521 10976 1 12 . 1 1 53 53 LEU H H 53 8.336 8.336 7.663 0.673 18521 10977 1 12 . 1 1 54 54 ASP N N 54 120.632 120.632 118.493 2.139 18521 10978 1 12 . 1 1 54 54 ASP HA H 54 4.409 4.409 4.343 0.066 18521 10979 1 12 . 1 1 54 54 ASP C C 54 179.383 179.383 178.406 0.977 18521 10980 1 12 . 1 1 54 54 ASP CA C 54 57.510 57.510 57.503 0.007 18521 10981 1 12 . 1 1 54 54 ASP CB C 54 40.275 40.275 40.983 -0.708 18521 10982 1 12 . 1 1 54 54 ASP H H 54 7.884 7.884 7.810 0.074 18521 10983 1 12 . 1 1 55 55 THR N N 55 121.006 121.006 117.105 3.901 18521 10984 1 12 . 1 1 55 55 THR HA H 55 3.923 3.923 4.086 -0.163 18521 10985 1 12 . 1 1 55 55 THR C C 55 177.066 177.066 176.859 0.207 18521 10986 1 12 . 1 1 55 55 THR CA C 55 67.018 67.018 66.857 0.161 18521 10987 1 12 . 1 1 55 55 THR CB C 55 68.725 68.725 68.597 0.128 18521 10988 1 12 . 1 1 55 55 THR H H 55 8.279 8.279 7.440 0.839 18521 10989 1 12 . 1 1 56 56 ILE N N 56 125.465 125.465 122.868 2.597 18521 10990 1 12 . 1 1 56 56 ILE HA H 56 3.748 3.748 3.810 -0.062 18521 10991 1 12 . 1 1 56 56 ILE C C 56 177.879 177.879 178.101 -0.222 18521 10992 1 12 . 1 1 56 56 ILE CA C 56 65.765 65.765 65.830 -0.065 18521 10993 1 12 . 1 1 56 56 ILE CB C 56 38.646 38.646 37.703 0.943 18521 10994 1 12 . 1 1 56 56 ILE H H 56 8.872 8.872 8.392 0.480 18521 10995 1 12 . 1 1 57 57 GLU N N 57 119.951 119.951 119.442 0.509 18521 10996 1 12 . 1 1 57 57 GLU HA H 57 4.034 4.034 3.981 0.053 18521 10997 1 12 . 1 1 57 57 GLU C C 57 179.357 179.357 179.221 0.136 18521 10998 1 12 . 1 1 57 57 GLU CA C 57 59.241 59.241 59.770 -0.529 18521 10999 1 12 . 1 1 57 57 GLU CB C 57 29.226 29.226 29.398 -0.172 18521 11000 1 12 . 1 1 57 57 GLU H H 57 8.024 8.024 8.022 0.002 18521 11001 1 12 . 1 1 58 58 ALA N N 58 122.402 122.402 122.875 -0.473 18521 11002 1 12 . 1 1 58 58 ALA HA H 58 4.044 4.044 4.153 -0.109 18521 11003 1 12 . 1 1 58 58 ALA C C 58 180.049 180.049 179.648 0.401 18521 11004 1 12 . 1 1 58 58 ALA CA C 58 55.167 55.167 55.034 0.133 18521 11005 1 12 . 1 1 58 58 ALA CB C 58 17.836 17.836 18.395 -0.559 18521 11006 1 12 . 1 1 58 58 ALA H H 58 8.026 8.026 8.270 -0.244 18521 11007 1 12 . 1 1 59 59 PHE N N 59 122.034 122.034 120.524 1.510 18521 11008 1 12 . 1 1 59 59 PHE HA H 59 4.165 4.165 4.225 -0.060 18521 11009 1 12 . 1 1 59 59 PHE C C 59 177.169 177.169 177.269 -0.100 18521 11010 1 12 . 1 1 59 59 PHE CA C 59 61.373 61.373 61.275 0.098 18521 11011 1 12 . 1 1 59 59 PHE CB C 59 39.384 39.384 39.720 -0.336 18521 11012 1 12 . 1 1 59 59 PHE H H 59 8.243 8.243 8.885 -0.642 18521 11013 1 12 . 1 1 60 60 LYS N N 60 117.415 117.415 119.636 -2.221 18521 11014 1 12 . 1 1 60 60 LYS HA H 60 3.490 3.490 3.634 -0.144 18521 11015 1 12 . 1 1 60 60 LYS C C 60 179.705 179.705 178.425 1.280 18521 11016 1 12 . 1 1 60 60 LYS CA C 60 60.051 60.051 59.493 0.558 18521 11017 1 12 . 1 1 60 60 LYS CB C 60 32.376 32.376 32.437 -0.061 18521 11018 1 12 . 1 1 60 60 LYS H H 60 7.978 7.978 8.710 -0.732 18521 11019 1 12 . 1 1 61 61 LYS N N 61 119.540 119.540 118.554 0.986 18521 11020 1 12 . 1 1 61 61 LYS HA H 61 3.942 3.942 3.976 -0.034 18521 11021 1 12 . 1 1 61 61 LYS C C 61 178.728 178.728 178.657 0.071 18521 11022 1 12 . 1 1 61 61 LYS CA C 61 58.878 58.878 59.376 -0.498 18521 11023 1 12 . 1 1 61 61 LYS CB C 61 32.626 32.626 32.305 0.321 18521 11024 1 12 . 1 1 61 61 LYS H H 61 7.853 7.853 8.186 -0.333 18521 11025 1 12 . 1 1 62 62 GLU N N 62 121.166 121.166 117.080 4.086 18521 11026 1 12 . 1 1 62 62 GLU HA H 62 3.933 3.933 4.035 -0.102 18521 11027 1 12 . 1 1 62 62 GLU C C 62 178.405 178.405 177.481 0.924 18521 11028 1 12 . 1 1 62 62 GLU CA C 62 58.655 58.655 58.541 0.114 18521 11029 1 12 . 1 1 62 62 GLU CB C 62 29.439 29.439 29.650 -0.211 18521 11030 1 12 . 1 1 62 62 GLU H H 62 7.956 7.956 7.669 0.287 18521 11031 1 12 . 1 1 63 63 ILE N N 63 117.896 117.896 116.449 1.447 18521 11032 1 12 . 1 1 63 63 ILE HA H 63 3.707 3.707 4.175 -0.468 18521 11033 1 12 . 1 1 63 63 ILE C C 63 177.438 177.438 176.729 0.709 18521 11034 1 12 . 1 1 63 63 ILE CA C 63 61.473 61.473 60.357 1.116 18521 11035 1 12 . 1 1 63 63 ILE CB C 63 36.546 36.546 38.931 -2.385 18521 11036 1 12 . 1 1 63 63 ILE H H 63 7.652 7.652 7.223 0.429 18521 11037 1 12 . 1 1 64 64 GLY N N 64 108.028 108.028 109.507 -1.479 18521 11038 1 12 . 1 1 64 64 GLY C C 64 175.261 175.261 175.237 0.024 18521 11039 1 12 . 1 1 64 64 GLY CA C 64 45.891 45.891 46.808 -0.917 18521 11040 1 12 . 1 1 64 64 GLY H H 64 7.654 7.654 8.191 -0.537 18521 11041 1 12 . 1 1 65 65 GLY N N 65 108.488 108.488 107.713 0.775 18521 11042 1 12 . 1 1 65 65 GLY C C 65 174.844 174.844 175.296 -0.452 18521 11043 1 12 . 1 1 65 65 GLY CA C 65 45.608 45.608 45.148 0.461 18521 11044 1 12 . 1 1 65 65 GLY H H 65 7.817 7.817 8.221 -0.404 18521 11045 1 12 . 1 1 66 66 GLU N N 66 121.078 121.078 118.634 2.444 18521 11046 1 12 . 1 1 66 66 GLU HA H 66 4.167 4.167 4.121 0.046 18521 11047 1 12 . 1 1 66 66 GLU C C 66 177.218 177.218 176.937 0.281 18521 11048 1 12 . 1 1 66 66 GLU CA C 66 57.075 57.075 58.801 -1.726 18521 11049 1 12 . 1 1 66 66 GLU CB C 66 30.015 30.015 29.857 0.158 18521 11050 1 12 . 1 1 66 66 GLU H H 66 8.195 8.195 8.567 -0.372 18521 11051 1 12 . 1 1 67 67 SER N N 67 116.370 116.370 110.681 5.689 18521 11052 1 12 . 1 1 67 67 SER HA H 67 4.187 4.187 4.525 -0.338 18521 11053 1 12 . 1 1 67 67 SER C C 67 174.670 174.670 175.478 -0.808 18521 11054 1 12 . 1 1 67 67 SER CA C 67 58.875 58.875 59.749 -0.874 18521 11055 1 12 . 1 1 67 67 SER CB C 67 63.783 63.783 63.915 -0.132 18521 11056 1 12 . 1 1 67 67 SER H H 67 8.205 8.205 8.236 -0.031 18521 11057 1 12 . 1 1 68 68 GLU N N 68 122.388 122.388 122.459 -0.071 18521 11058 1 12 . 1 1 68 68 GLU HA H 68 4.173 4.173 4.138 0.035 18521 11059 1 12 . 1 1 68 68 GLU C C 68 176.364 176.364 178.075 -1.711 18521 11060 1 12 . 1 1 68 68 GLU CA C 68 56.734 56.734 58.868 -2.134 18521 11061 1 12 . 1 1 68 68 GLU CB C 68 29.986 29.986 29.258 0.728 18521 11062 1 12 . 1 1 68 68 GLU H H 68 8.170 8.170 8.762 -0.592 18521 11063 1 12 . 1 1 69 69 ALA N N 69 124.265 124.265 121.038 3.227 18521 11064 1 12 . 1 1 69 69 ALA HA H 69 4.212 4.212 4.319 -0.107 18521 11065 1 12 . 1 1 69 69 ALA C C 69 178.042 178.042 178.787 -0.745 18521 11066 1 12 . 1 1 69 69 ALA CA C 69 52.468 52.468 54.565 -2.097 18521 11067 1 12 . 1 1 69 69 ALA CB C 69 19.411 19.411 18.250 1.161 18521 11068 1 12 . 1 1 69 69 ALA H H 69 7.931 7.931 7.974 -0.043 18521 11069 1 12 . 1 1 70 70 GLU N N 70 121.086 121.086 117.653 3.433 18521 11070 1 12 . 1 1 70 70 GLU HA H 70 4.110 4.110 4.005 0.105 18521 11071 1 12 . 1 1 70 70 GLU C C 70 180.047 180.047 177.821 2.226 18521 11072 1 12 . 1 1 70 70 GLU CA C 70 57.325 57.325 58.852 -1.527 18521 11073 1 12 . 1 1 70 70 GLU CB C 70 29.969 29.969 29.767 0.202 18521 11074 1 12 . 1 1 70 70 GLU H H 70 8.447 8.447 7.789 0.658 18521 11075 1 12 . 1 1 71 71 ASP N N 71 120.210 120.210 117.905 2.305 18521 11076 1 12 . 1 1 71 71 ASP HA H 71 4.545 4.545 4.492 0.053 18521 11077 1 12 . 1 1 71 71 ASP C C 71 176.385 176.385 176.700 -0.315 18521 11078 1 12 . 1 1 71 71 ASP CA C 71 54.149 54.149 56.274 -2.125 18521 11079 1 12 . 1 1 71 71 ASP CB C 71 40.756 40.756 41.236 -0.480 18521 11080 1 12 . 1 1 71 71 ASP H H 71 8.308 8.308 7.511 0.797 18521 11081 1 12 . 1 1 72 72 SER N N 72 116.137 116.137 113.496 2.641 18521 11082 1 12 . 1 1 72 72 SER HA H 72 4.259 4.259 4.650 -0.391 18521 11083 1 12 . 1 1 72 72 SER C C 72 174.578 174.578 172.945 1.633 18521 11084 1 12 . 1 1 72 72 SER CA C 72 58.851 58.851 57.593 1.258 18521 11085 1 12 . 1 1 72 72 SER CB C 72 63.870 63.870 63.303 0.567 18521 11086 1 12 . 1 1 72 72 SER H H 72 7.954 7.954 7.902 0.052 18521 11087 1 12 . 1 1 73 73 ASP N N 73 122.500 122.500 124.673 -2.173 18521 11088 1 12 . 1 1 73 73 ASP HA H 73 4.534 4.534 4.772 -0.238 18521 11089 1 12 . 1 1 73 73 ASP C C 73 176.903 176.903 176.206 0.697 18521 11090 1 12 . 1 1 73 73 ASP CA C 73 54.442 54.442 54.498 -0.056 18521 11091 1 12 . 1 1 73 73 ASP CB C 73 41.253 41.253 40.289 0.964 18521 11092 1 12 . 1 1 73 73 ASP H H 73 8.384 8.384 8.880 -0.496 18521 11093 1 12 . 1 1 74 74 LYS N N 74 123.374 123.374 120.164 3.210 18521 11094 1 12 . 1 1 74 74 LYS HA H 74 4.099 4.099 4.371 -0.272 18521 11095 1 12 . 1 1 74 74 LYS C C 74 177.606 177.606 178.462 -0.856 18521 11096 1 12 . 1 1 74 74 LYS CA C 74 57.527 57.527 58.199 -0.672 18521 11097 1 12 . 1 1 74 74 LYS CB C 74 32.115 32.115 33.485 -1.370 18521 11098 1 12 . 1 1 74 74 LYS H H 74 8.338 8.338 7.645 0.693 18521 11099 1 12 . 1 1 75 75 SER N N 75 116.404 116.404 115.650 0.754 18521 11100 1 12 . 1 1 75 75 SER HA H 75 4.190 4.190 4.256 -0.066 18521 11101 1 12 . 1 1 75 75 SER C C 75 176.030 176.030 176.579 -0.549 18521 11102 1 12 . 1 1 75 75 SER CA C 75 60.560 60.560 61.119 -0.559 18521 11103 1 12 . 1 1 75 75 SER CB C 75 62.971 62.971 63.129 -0.158 18521 11104 1 12 . 1 1 75 75 SER H H 75 8.409 8.409 8.283 0.126 18521 11105 1 12 . 1 1 76 76 LEU N N 76 123.753 123.753 123.246 0.507 18521 11106 1 12 . 1 1 76 76 LEU HA H 76 4.121 4.121 4.052 0.069 18521 11107 1 12 . 1 1 76 76 LEU C C 76 178.263 178.263 177.671 0.592 18521 11108 1 12 . 1 1 76 76 LEU CA C 76 56.665 56.665 57.549 -0.884 18521 11109 1 12 . 1 1 76 76 LEU CB C 76 41.538 41.538 41.759 -0.221 18521 11110 1 12 . 1 1 76 76 LEU H H 76 8.068 8.068 7.790 0.278 18521 11111 1 12 . 1 1 77 77 HIS N N 77 120.235 120.235 118.389 1.846 18521 11112 1 12 . 1 1 77 77 HIS HA H 77 4.372 4.372 4.185 0.187 18521 11113 1 12 . 1 1 77 77 HIS C C 77 177.974 177.974 177.371 0.603 18521 11114 1 12 . 1 1 77 77 HIS CA C 77 58.504 58.504 60.065 -1.560 18521 11115 1 12 . 1 1 77 77 HIS CB C 77 30.124 30.124 29.627 0.497 18521 11116 1 12 . 1 1 77 77 HIS H H 77 7.955 7.955 8.114 -0.159 18521 11117 1 12 . 1 1 78 78 VAL N N 78 121.721 121.721 120.321 1.400 18521 11118 1 12 . 1 1 78 78 VAL HA H 78 3.612 3.612 3.798 -0.186 18521 11119 1 12 . 1 1 78 78 VAL C C 78 177.688 177.688 178.004 -0.316 18521 11120 1 12 . 1 1 78 78 VAL CA C 78 65.817 65.817 65.796 0.021 18521 11121 1 12 . 1 1 78 78 VAL CB C 78 31.729 31.729 31.857 -0.128 18521 11122 1 12 . 1 1 78 78 VAL H H 78 7.953 7.953 7.491 0.462 18521 11123 1 12 . 1 1 79 79 MET N N 79 119.138 119.138 118.797 0.341 18521 11124 1 12 . 1 1 79 79 MET HA H 79 3.879 3.879 4.007 -0.128 18521 11125 1 12 . 1 1 79 79 MET C C 79 180.609 180.609 177.929 2.680 18521 11126 1 12 . 1 1 79 79 MET CA C 79 59.210 59.210 59.132 0.078 18521 11127 1 12 . 1 1 79 79 MET CB C 79 34.157 34.157 32.438 1.719 18521 11128 1 12 . 1 1 79 79 MET H H 79 8.132 8.132 7.932 0.200 18521 11129 1 12 . 1 1 80 80 ASN N N 80 117.000 117.000 117.101 -0.101 18521 11130 1 12 . 1 1 80 80 ASN HA H 80 4.161 4.161 4.467 -0.306 18521 11131 1 12 . 1 1 80 80 ASN C C 80 178.212 178.212 177.062 1.150 18521 11132 1 12 . 1 1 80 80 ASN CA C 80 56.827 56.827 56.606 0.221 18521 11133 1 12 . 1 1 80 80 ASN CB C 80 38.920 38.920 38.259 0.661 18521 11134 1 12 . 1 1 80 80 ASN H H 80 8.195 8.195 8.504 -0.309 18521 11135 1 12 . 1 1 81 81 THR N N 81 116.021 116.021 116.976 -0.955 18521 11136 1 12 . 1 1 81 81 THR HA H 81 3.975 3.975 4.003 -0.028 18521 11137 1 12 . 1 1 81 81 THR C C 81 175.237 175.237 176.315 -1.078 18521 11138 1 12 . 1 1 81 81 THR CA C 81 66.507 66.507 66.490 0.017 18521 11139 1 12 . 1 1 81 81 THR CB C 81 68.813 68.813 68.726 0.087 18521 11140 1 12 . 1 1 81 81 THR H H 81 7.952 7.952 7.901 0.051 18521 11141 1 12 . 1 1 82 82 LEU N N 82 119.041 119.041 120.215 -1.174 18521 11142 1 12 . 1 1 82 82 LEU HA H 82 4.040 4.040 4.127 -0.087 18521 11143 1 12 . 1 1 82 82 LEU C C 82 177.541 177.541 178.237 -0.696 18521 11144 1 12 . 1 1 82 82 LEU CA C 82 56.468 56.468 57.602 -1.134 18521 11145 1 12 . 1 1 82 82 LEU CB C 82 42.247 42.247 41.901 0.346 18521 11146 1 12 . 1 1 82 82 LEU H H 82 7.655 7.655 7.573 0.082 18521 11147 1 12 . 1 1 83 83 ILE N N 83 118.063 118.063 114.934 3.129 18521 11148 1 12 . 1 1 83 83 ILE HA H 83 3.805 3.805 3.980 -0.175 18521 11149 1 12 . 1 1 83 83 ILE C C 83 176.681 176.681 177.760 -1.079 18521 11150 1 12 . 1 1 83 83 ILE CA C 83 63.188 63.188 63.688 -0.500 18521 11151 1 12 . 1 1 83 83 ILE CB C 83 37.939 37.939 38.433 -0.494 18521 11152 1 12 . 1 1 83 83 ILE H H 83 7.455 7.455 7.167 0.288 18521 11153 1 12 . 1 1 84 84 HIS N N 84 116.118 116.118 115.973 0.145 18521 11154 1 12 . 1 1 84 84 HIS HA H 84 4.568 4.568 4.473 0.095 18521 11155 1 12 . 1 1 84 84 HIS C C 84 175.568 175.568 175.569 -0.001 18521 11156 1 12 . 1 1 84 84 HIS CA C 84 58.425 58.425 58.996 -0.571 18521 11157 1 12 . 1 1 84 84 HIS CB C 84 31.801 31.801 30.812 0.989 18521 11158 1 12 . 1 1 84 84 HIS H H 84 7.168 7.168 8.553 -1.385 18521 11159 1 12 . 1 1 85 85 ASP N N 85 122.411 122.411 119.856 2.555 18521 11160 1 12 . 1 1 85 85 ASP HA H 85 4.546 4.546 4.740 -0.194 18521 11161 1 12 . 1 1 85 85 ASP C C 85 175.527 175.527 176.867 -1.340 18521 11162 1 12 . 1 1 85 85 ASP CA C 85 53.215 53.215 53.410 -0.195 18521 11163 1 12 . 1 1 85 85 ASP CB C 85 40.936 40.936 40.755 0.181 18521 11164 1 12 . 1 1 85 85 ASP H H 85 8.576 8.576 8.053 0.523 18521 11165 1 12 . 1 1 86 86 GLN N N 86 122.561 122.561 126.747 -4.186 18521 11166 1 12 . 1 1 86 86 GLN HA H 86 4.077 4.077 4.260 -0.183 18521 11167 1 12 . 1 1 86 86 GLN C C 86 178.518 178.518 178.263 0.255 18521 11168 1 12 . 1 1 86 86 GLN CA C 86 57.816 57.816 58.689 -0.873 18521 11169 1 12 . 1 1 86 86 GLN CB C 86 29.165 29.165 28.824 0.341 18521 11170 1 12 . 1 1 86 86 GLN H H 86 8.715 8.715 8.463 0.252 18521 11171 1 12 . 1 1 87 87 GLU N N 87 121.616 121.616 119.460 2.156 18521 11172 1 12 . 1 1 87 87 GLU HA H 87 4.042 4.042 3.744 0.298 18521 11173 1 12 . 1 1 87 87 GLU C C 87 178.154 178.154 178.024 0.130 18521 11174 1 12 . 1 1 87 87 GLU CA C 87 59.051 59.051 59.758 -0.707 18521 11175 1 12 . 1 1 87 87 GLU CB C 87 29.231 29.231 29.469 -0.238 18521 11176 1 12 . 1 1 87 87 GLU H H 87 8.073 8.073 7.990 0.083 18521 11177 1 12 . 1 1 88 88 LYS N N 88 119.006 119.006 118.975 0.031 18521 11178 1 12 . 1 1 88 88 LYS HA H 88 3.754 3.754 4.010 -0.256 18521 11179 1 12 . 1 1 88 88 LYS C C 88 177.129 177.129 178.418 -1.289 18521 11180 1 12 . 1 1 88 88 LYS CA C 88 59.721 59.721 58.992 0.729 18521 11181 1 12 . 1 1 88 88 LYS CB C 88 32.253 32.253 32.336 -0.083 18521 11182 1 12 . 1 1 88 88 LYS H H 88 7.525 7.525 7.651 -0.126 18521 11183 1 12 . 1 1 89 89 ALA N N 89 121.945 121.945 121.484 0.461 18521 11184 1 12 . 1 1 89 89 ALA HA H 89 3.734 3.734 4.043 -0.309 18521 11185 1 12 . 1 1 89 89 ALA C C 89 177.545 177.545 178.994 -1.449 18521 11186 1 12 . 1 1 89 89 ALA CA C 89 55.977 55.977 55.175 0.802 18521 11187 1 12 . 1 1 89 89 ALA CB C 89 18.763 18.763 18.042 0.721 18521 11188 1 12 . 1 1 89 89 ALA H H 89 8.472 8.472 7.959 0.513 18521 11189 1 12 . 1 1 90 90 LYS N N 90 117.743 117.743 118.959 -1.216 18521 11190 1 12 . 1 1 90 90 LYS HA H 90 4.015 4.015 2.633 1.382 18521 11191 1 12 . 1 1 90 90 LYS C C 90 177.667 177.667 178.431 -0.764 18521 11192 1 12 . 1 1 90 90 LYS CA C 90 58.703 58.703 58.676 0.027 18521 11193 1 12 . 1 1 90 90 LYS CB C 90 32.779 32.779 31.374 1.405 18521 11194 1 12 . 1 1 90 90 LYS H H 90 6.684 6.684 7.383 -0.699 18521 11195 1 12 . 1 1 91 91 ILE N N 91 117.216 117.216 118.674 -1.458 18521 11196 1 12 . 1 1 91 91 ILE HA H 91 3.414 3.414 3.610 -0.196 18521 11197 1 12 . 1 1 91 91 ILE C C 91 178.422 178.422 177.872 0.550 18521 11198 1 12 . 1 1 91 91 ILE CA C 91 64.094 64.094 65.420 -1.326 18521 11199 1 12 . 1 1 91 91 ILE CB C 91 37.481 37.481 37.804 -0.323 18521 11200 1 12 . 1 1 91 91 ILE H H 91 7.196 7.196 7.290 -0.094 18521 11201 1 12 . 1 1 92 92 TYR N N 92 122.201 122.201 120.626 1.575 18521 11202 1 12 . 1 1 92 92 TYR HA H 92 4.047 4.047 4.052 -0.005 18521 11203 1 12 . 1 1 92 92 TYR C C 92 177.726 177.726 177.563 0.163 18521 11204 1 12 . 1 1 92 92 TYR CA C 92 61.771 61.771 61.985 -0.214 18521 11205 1 12 . 1 1 92 92 TYR CB C 92 39.295 39.295 38.522 0.773 18521 11206 1 12 . 1 1 92 92 TYR H H 92 8.466 8.466 7.656 0.810 18521 11207 1 12 . 1 1 93 93 MET N N 93 117.420 117.420 119.678 -2.258 18521 11208 1 12 . 1 1 93 93 MET HA H 93 3.896 3.896 4.019 -0.123 18521 11209 1 12 . 1 1 93 93 MET C C 93 180.221 180.221 177.806 2.415 18521 11210 1 12 . 1 1 93 93 MET CA C 93 57.586 57.586 58.159 -0.573 18521 11211 1 12 . 1 1 93 93 MET CB C 93 30.854 30.854 32.246 -1.392 18521 11212 1 12 . 1 1 93 93 MET H H 93 8.269 8.269 8.697 -0.428 18521 11213 1 12 . 1 1 94 94 LEU N N 94 125.183 125.183 120.683 4.500 18521 11214 1 12 . 1 1 94 94 LEU HA H 94 3.826 3.826 3.885 -0.059 18521 11215 1 12 . 1 1 94 94 LEU C C 94 177.787 177.787 178.216 -0.429 18521 11216 1 12 . 1 1 94 94 LEU CA C 94 58.729 58.729 58.655 0.074 18521 11217 1 12 . 1 1 94 94 LEU CB C 94 42.188 42.188 41.469 0.719 18521 11218 1 12 . 1 1 94 94 LEU H H 94 8.733 8.733 8.364 0.368 18521 11219 1 12 . 1 1 95 95 ASN N N 95 121.517 121.517 118.414 3.103 18521 11220 1 12 . 1 1 95 95 ASN HA H 95 4.184 4.184 4.291 -0.107 18521 11221 1 12 . 1 1 95 95 ASN C C 95 178.481 178.481 177.644 0.837 18521 11222 1 12 . 1 1 95 95 ASN CA C 95 56.312 56.312 56.031 0.281 18521 11223 1 12 . 1 1 95 95 ASN H H 95 8.951 8.951 8.130 0.821 18521 11224 1 12 . 1 1 96 96 PHE N N 96 122.778 122.778 120.910 1.868 18521 11225 1 12 . 1 1 96 96 PHE HA H 96 4.341 4.341 4.121 0.220 18521 11226 1 12 . 1 1 96 96 PHE C C 96 177.925 177.925 177.221 0.704 18521 11227 1 12 . 1 1 96 96 PHE CA C 96 62.427 62.427 62.134 0.293 18521 11228 1 12 . 1 1 96 96 PHE H H 96 8.454 8.454 8.263 0.191 18521 11229 1 12 . 1 1 97 97 THR N N 97 117.115 117.115 116.987 0.128 18521 11230 1 12 . 1 1 97 97 THR HA H 97 3.369 3.369 3.746 -0.377 18521 11231 1 12 . 1 1 97 97 THR C C 97 176.185 176.185 176.777 -0.592 18521 11232 1 12 . 1 1 97 97 THR CA C 97 68.090 68.090 67.448 0.641 18521 11233 1 12 . 1 1 97 97 THR CB C 97 68.087 68.087 68.530 -0.443 18521 11234 1 12 . 1 1 97 97 THR H H 97 8.209 8.209 8.627 -0.418 18521 11235 1 12 . 1 1 98 98 MET N N 98 119.373 119.373 120.336 -0.963 18521 11236 1 12 . 1 1 98 98 MET HA H 98 4.360 4.360 4.297 0.063 18521 11237 1 12 . 1 1 98 98 MET C C 98 177.887 177.887 178.477 -0.590 18521 11238 1 12 . 1 1 98 98 MET CA C 98 58.143 58.143 57.958 0.185 18521 11239 1 12 . 1 1 98 98 MET CB C 98 31.948 31.948 31.543 0.405 18521 11240 1 12 . 1 1 98 98 MET H H 98 8.958 8.958 8.837 0.121 18521 11241 1 12 . 1 1 99 99 SER N N 99 114.517 114.517 116.430 -1.913 18521 11242 1 12 . 1 1 99 99 SER HA H 99 4.043 4.043 4.139 -0.096 18521 11243 1 12 . 1 1 99 99 SER C C 99 176.195 176.195 176.762 -0.567 18521 11244 1 12 . 1 1 99 99 SER CA C 99 62.481 62.481 61.662 0.819 18521 11245 1 12 . 1 1 99 99 SER CB C 99 62.692 62.692 62.367 0.325 18521 11246 1 12 . 1 1 99 99 SER H H 99 7.708 7.708 8.091 -0.383 18521 11247 1 12 . 1 1 100 100 LEU N N 100 125.126 125.126 124.001 1.125 18521 11248 1 12 . 1 1 100 100 LEU HA H 100 3.913 3.913 4.025 -0.112 18521 11249 1 12 . 1 1 100 100 LEU C C 100 177.327 177.327 178.122 -0.795 18521 11250 1 12 . 1 1 100 100 LEU CA C 100 58.005 58.005 57.301 0.704 18521 11251 1 12 . 1 1 100 100 LEU CB C 100 41.841 41.841 41.650 0.191 18521 11252 1 12 . 1 1 100 100 LEU H H 100 7.277 7.277 7.555 -0.278 18521 11253 1 12 . 1 1 101 101 TYR N N 101 120.940 120.940 119.971 0.969 18521 11254 1 12 . 1 1 101 101 TYR HA H 101 4.143 4.143 4.128 0.015 18521 11255 1 12 . 1 1 101 101 TYR C C 101 176.784 176.784 177.495 -0.711 18521 11256 1 12 . 1 1 101 101 TYR CA C 101 61.543 61.543 61.562 -0.019 18521 11257 1 12 . 1 1 101 101 TYR CB C 101 40.909 40.909 38.423 2.486 18521 11258 1 12 . 1 1 101 101 TYR H H 101 8.858 8.858 8.810 0.048 18521 11259 1 12 . 1 1 102 102 ASN N N 102 119.067 119.067 117.412 1.655 18521 11260 1 12 . 1 1 102 102 ASN HA H 102 4.116 4.116 4.152 -0.036 18521 11261 1 12 . 1 1 102 102 ASN C C 102 178.713 178.713 177.183 1.530 18521 11262 1 12 . 1 1 102 102 ASN CA C 102 55.734 55.734 55.941 -0.207 18521 11263 1 12 . 1 1 102 102 ASN H H 102 8.700 8.700 8.779 -0.079 18521 11264 1 12 . 1 1 103 103 GLU N N 103 119.558 119.558 120.404 -0.846 18521 11265 1 12 . 1 1 103 103 GLU HA H 103 3.944 3.944 3.909 0.035 18521 11266 1 12 . 1 1 103 103 GLU C C 103 179.012 179.012 178.848 0.164 18521 11267 1 12 . 1 1 103 103 GLU CA C 103 59.506 59.506 59.788 -0.282 18521 11268 1 12 . 1 1 103 103 GLU CB C 103 29.349 29.349 29.516 -0.167 18521 11269 1 12 . 1 1 103 103 GLU H H 103 7.599 7.599 7.894 -0.295 18521 11270 1 12 . 1 1 104 104 LYS N N 104 120.218 120.218 118.734 1.484 18521 11271 1 12 . 1 1 104 104 LYS HA H 104 4.051 4.051 4.023 0.028 18521 11272 1 12 . 1 1 104 104 LYS C C 104 178.477 178.477 179.126 -0.649 18521 11273 1 12 . 1 1 104 104 LYS CA C 104 56.534 56.534 58.457 -1.923 18521 11274 1 12 . 1 1 104 104 LYS CB C 104 29.108 29.108 32.105 -2.997 18521 11275 1 12 . 1 1 104 104 LYS H H 104 8.311 8.311 7.629 0.682 18521 11276 1 12 . 1 1 105 105 LEU N N 105 122.110 122.110 120.166 1.944 18521 11277 1 12 . 1 1 105 105 LEU HA H 105 3.774 3.774 3.896 -0.122 18521 11278 1 12 . 1 1 105 105 LEU C C 105 180.224 180.224 178.742 1.482 18521 11279 1 12 . 1 1 105 105 LEU CA C 105 58.148 58.148 57.647 0.501 18521 11280 1 12 . 1 1 105 105 LEU CB C 105 42.394 42.394 41.360 1.034 18521 11281 1 12 . 1 1 105 105 LEU H H 105 8.604 8.604 7.853 0.751 18521 11282 1 12 . 1 1 106 106 LYS N N 106 119.031 119.031 119.199 -0.168 18521 11283 1 12 . 1 1 106 106 LYS HA H 106 4.035 4.035 3.813 0.222 18521 11284 1 12 . 1 1 106 106 LYS C C 106 178.496 178.496 178.843 -0.347 18521 11285 1 12 . 1 1 106 106 LYS CA C 106 59.820 59.820 59.139 0.680 18521 11286 1 12 . 1 1 106 106 LYS CB C 106 31.956 31.956 32.056 -0.100 18521 11287 1 12 . 1 1 106 106 LYS H H 106 7.339 7.339 8.243 -0.904 18521 11288 1 12 . 1 1 107 107 GLN N N 107 121.417 121.417 118.507 2.910 18521 11289 1 12 . 1 1 107 107 GLN HA H 107 3.744 3.744 3.874 -0.130 18521 11290 1 12 . 1 1 107 107 GLN C C 107 178.103 178.103 178.763 -0.660 18521 11291 1 12 . 1 1 107 107 GLN CA C 107 58.582 58.582 58.370 0.212 18521 11292 1 12 . 1 1 107 107 GLN CB C 107 26.969 26.969 28.188 -1.219 18521 11293 1 12 . 1 1 107 107 GLN H H 107 7.590 7.590 7.550 0.040 18521 11294 1 12 . 1 1 108 108 LEU N N 108 120.629 120.629 118.883 1.746 18521 11295 1 12 . 1 1 108 108 LEU HA H 108 3.806 3.806 4.507 -0.701 18521 11296 1 12 . 1 1 108 108 LEU C C 108 178.978 178.978 178.382 0.596 18521 11297 1 12 . 1 1 108 108 LEU CA C 108 58.306 58.306 57.586 0.720 18521 11298 1 12 . 1 1 108 108 LEU CB C 108 42.112 42.112 41.977 0.135 18521 11299 1 12 . 1 1 108 108 LEU H H 108 8.450 8.450 7.555 0.895 18521 11300 1 12 . 1 1 109 109 LYS N N 109 119.584 119.584 117.525 2.059 18521 11301 1 12 . 1 1 109 109 LYS HA H 109 4.166 4.166 4.087 0.079 18521 11302 1 12 . 1 1 109 109 LYS C C 109 177.859 177.859 177.086 0.773 18521 11303 1 12 . 1 1 109 109 LYS CA C 109 58.746 58.746 58.702 0.044 18521 11304 1 12 . 1 1 109 109 LYS CB C 109 32.637 32.637 32.724 -0.087 18521 11305 1 12 . 1 1 109 109 LYS H H 109 7.295 7.295 7.623 -0.328 18521 11306 1 12 . 1 1 110 110 ASP N N 110 116.950 116.950 113.402 3.548 18521 11307 1 12 . 1 1 110 110 ASP HA H 110 4.604 4.604 4.986 -0.382 18521 11308 1 12 . 1 1 110 110 ASP C C 110 177.157 177.157 174.908 2.249 18521 11309 1 12 . 1 1 110 110 ASP CA C 110 55.768 55.768 54.362 1.406 18521 11310 1 12 . 1 1 110 110 ASP CB C 110 42.724 42.724 43.374 -0.651 18521 11311 1 12 . 1 1 110 110 ASP H H 110 7.807 7.807 7.642 0.165 18521 11312 1 12 . 1 1 111 111 GLY N N 111 114.046 114.046 110.186 3.860 18521 11313 1 12 . 1 1 111 111 GLY CA C 111 41.845 41.845 44.232 -2.387 18521 11314 1 12 . 1 1 111 111 GLY H H 111 8.554 8.554 7.343 1.211 18521 11315 1 12 . 1 1 112 112 PRO HA H 112 4.552 4.552 4.004 0.548 18521 11316 1 12 . 1 1 112 112 PRO C C 112 174.967 174.967 175.646 -0.679 18521 11317 1 12 . 1 1 112 112 PRO CA C 112 61.222 61.222 62.815 -1.593 18521 11318 1 12 . 1 1 112 112 PRO CB C 112 35.056 35.056 32.266 2.790 18521 11319 1 12 . 1 1 113 113 TRP N N 113 123.139 123.139 122.639 0.500 18521 11320 1 12 . 1 1 113 113 TRP HA H 113 4.650 4.650 4.813 -0.163 18521 11321 1 12 . 1 1 113 113 TRP C C 113 174.604 174.604 175.343 -0.739 18521 11322 1 12 . 1 1 113 113 TRP CA C 113 58.154 58.154 56.697 1.457 18521 11323 1 12 . 1 1 113 113 TRP CB C 113 27.048 27.048 31.304 -4.256 18521 11324 1 12 . 1 1 113 113 TRP H H 113 8.671 8.671 8.544 0.127 18521 11325 1 12 . 1 1 114 114 ASP N N 114 121.440 121.440 118.613 2.827 18521 11326 1 12 . 1 1 114 114 ASP HA H 114 4.930 4.930 4.775 0.155 18521 11327 1 12 . 1 1 114 114 ASP C C 114 176.979 176.979 176.020 0.959 18521 11328 1 12 . 1 1 114 114 ASP CA C 114 52.223 52.223 52.775 -0.552 18521 11329 1 12 . 1 1 114 114 ASP CB C 114 43.192 43.192 42.076 1.116 18521 11330 1 12 . 1 1 114 114 ASP H H 114 6.950 6.950 8.114 -1.164 18521 11331 1 12 . 1 1 115 115 VAL N N 115 118.386 118.386 120.229 -1.843 18521 11332 1 12 . 1 1 115 115 VAL HA H 115 3.825 3.825 3.791 0.034 18521 11333 1 12 . 1 1 115 115 VAL C C 115 177.760 177.760 178.030 -0.270 18521 11334 1 12 . 1 1 115 115 VAL CA C 115 65.611 65.611 65.371 0.240 18521 11335 1 12 . 1 1 115 115 VAL CB C 115 31.657 31.657 32.074 -0.417 18521 11336 1 12 . 1 1 115 115 VAL H H 115 8.181 8.181 8.371 -0.190 18521 11337 1 12 . 1 1 116 116 MET N N 116 120.354 120.354 118.601 1.753 18521 11338 1 12 . 1 1 116 116 MET HA H 116 4.284 4.284 4.142 0.142 18521 11339 1 12 . 1 1 116 116 MET C C 116 179.336 179.336 178.192 1.144 18521 11340 1 12 . 1 1 116 116 MET CA C 116 57.392 57.392 58.810 -1.418 18521 11341 1 12 . 1 1 116 116 MET CB C 116 30.450 30.450 32.226 -1.776 18521 11342 1 12 . 1 1 116 116 MET H H 116 7.661 7.661 7.935 -0.274 18521 11343 1 12 . 1 1 117 117 LEU N N 117 125.774 125.774 120.348 5.426 18521 11344 1 12 . 1 1 117 117 LEU HA H 117 4.129 4.129 4.124 0.005 18521 11345 1 12 . 1 1 117 117 LEU C C 117 178.399 178.399 178.370 0.029 18521 11346 1 12 . 1 1 117 117 LEU CA C 117 58.353 58.353 58.406 -0.053 18521 11347 1 12 . 1 1 117 117 LEU CB C 117 40.392 40.392 41.626 -1.234 18521 11348 1 12 . 1 1 117 117 LEU H H 117 8.179 8.179 8.955 -0.776 18521 11349 1 12 . 1 1 118 118 LYS N N 118 118.471 118.471 118.946 -0.475 18521 11350 1 12 . 1 1 118 118 LYS HA H 118 3.824 3.824 3.948 -0.124 18521 11351 1 12 . 1 1 118 118 LYS C C 118 178.259 178.259 179.069 -0.810 18521 11352 1 12 . 1 1 118 118 LYS CA C 118 60.497 60.497 60.033 0.464 18521 11353 1 12 . 1 1 118 118 LYS CB C 118 32.355 32.355 32.301 0.054 18521 11354 1 12 . 1 1 118 118 LYS H H 118 7.359 7.359 7.507 -0.148 18521 11355 1 12 . 1 1 119 119 ARG N N 119 117.838 117.838 118.165 -0.327 18521 11356 1 12 . 1 1 119 119 ARG HA H 119 4.158 4.158 4.226 -0.068 18521 11357 1 12 . 1 1 119 119 ARG C C 119 180.132 180.132 179.194 0.938 18521 11358 1 12 . 1 1 119 119 ARG CA C 119 59.535 59.535 59.483 0.052 18521 11359 1 12 . 1 1 119 119 ARG CB C 119 29.994 29.994 30.350 -0.356 18521 11360 1 12 . 1 1 119 119 ARG H H 119 8.316 8.316 8.024 0.292 18521 11361 1 12 . 1 1 120 120 SER N N 120 117.258 117.258 116.196 1.062 18521 11362 1 12 . 1 1 120 120 SER HA H 120 4.374 4.374 4.312 0.062 18521 11363 1 12 . 1 1 120 120 SER C C 120 176.034 176.034 176.515 -0.481 18521 11364 1 12 . 1 1 120 120 SER CA C 120 62.728 62.728 61.581 1.147 18521 11365 1 12 . 1 1 120 120 SER CB C 120 63.050 63.050 62.678 0.372 18521 11366 1 12 . 1 1 120 120 SER H H 120 8.598 8.598 8.110 0.488 18521 11367 1 12 . 1 1 121 121 LEU N N 121 125.307 125.307 123.233 2.074 18521 11368 1 12 . 1 1 121 121 LEU HA H 121 4.192 4.192 4.177 0.015 18521 11369 1 12 . 1 1 121 121 LEU C C 121 179.621 179.621 178.984 0.637 18521 11370 1 12 . 1 1 121 121 LEU CA C 121 58.894 58.894 57.926 0.968 18521 11371 1 12 . 1 1 121 121 LEU CB C 121 41.188 41.188 41.735 -0.547 18521 11372 1 12 . 1 1 121 121 LEU H H 121 8.250 8.250 8.142 0.108 18521 11373 1 12 . 1 1 122 122 TRP N N 122 120.444 120.444 119.183 1.261 18521 11374 1 12 . 1 1 122 122 TRP HA H 122 4.368 4.368 4.372 -0.004 18521 11375 1 12 . 1 1 122 122 TRP C C 122 176.943 176.943 178.538 -1.595 18521 11376 1 12 . 1 1 122 122 TRP CA C 122 61.452 61.452 61.664 -0.212 18521 11377 1 12 . 1 1 122 122 TRP CB C 122 29.823 29.823 29.088 0.735 18521 11378 1 12 . 1 1 122 122 TRP H H 122 7.873 7.873 7.798 0.075 18521 11379 1 12 . 1 1 123 123 CYS N N 123 120.188 120.188 119.659 0.529 18521 11380 1 12 . 1 1 123 123 CYS HA H 123 4.264 4.264 4.203 0.061 18521 11381 1 12 . 1 1 123 123 CYS C C 123 176.875 176.875 176.892 -0.017 18521 11382 1 12 . 1 1 123 123 CYS CA C 123 60.573 60.573 62.748 -2.175 18521 11383 1 12 . 1 1 123 123 CYS CB C 123 25.642 25.642 27.206 -1.564 18521 11384 1 12 . 1 1 123 123 CYS H H 123 8.271 8.271 7.854 0.417 18521 11385 1 12 . 1 1 124 124 CYS N N 124 116.760 116.760 118.958 -2.198 18521 11386 1 12 . 1 1 124 124 CYS HA H 124 3.880 3.880 4.034 -0.154 18521 11387 1 12 . 1 1 124 124 CYS C C 124 175.810 175.810 177.182 -1.372 18521 11388 1 12 . 1 1 124 124 CYS CA C 124 65.646 65.646 64.727 0.919 18521 11389 1 12 . 1 1 124 124 CYS CB C 124 28.069 28.069 27.467 0.602 18521 11390 1 12 . 1 1 124 124 CYS H H 124 8.208 8.208 7.790 0.418 18521 11391 1 12 . 1 1 125 125 ILE N N 125 121.167 121.167 121.131 0.036 18521 11392 1 12 . 1 1 125 125 ILE HA H 125 3.580 3.580 3.775 -0.195 18521 11393 1 12 . 1 1 125 125 ILE C C 125 179.302 179.302 177.744 1.558 18521 11394 1 12 . 1 1 125 125 ILE CA C 125 67.663 67.663 65.873 1.790 18521 11395 1 12 . 1 1 125 125 ILE CB C 125 37.988 37.988 37.416 0.572 18521 11396 1 12 . 1 1 125 125 ILE H H 125 8.073 8.073 7.842 0.231 18521 11397 1 12 . 1 1 126 126 ASP N N 126 124.812 124.812 120.280 4.532 18521 11398 1 12 . 1 1 126 126 ASP HA H 126 4.622 4.622 4.449 0.173 18521 11399 1 12 . 1 1 126 126 ASP C C 126 178.091 178.091 179.015 -0.924 18521 11400 1 12 . 1 1 126 126 ASP CA C 126 58.885 58.885 57.486 1.399 18521 11401 1 12 . 1 1 126 126 ASP CB C 126 40.408 40.408 40.303 0.105 18521 11402 1 12 . 1 1 126 126 ASP H H 126 8.778 8.778 7.806 0.972 18521 11403 1 12 . 1 1 127 127 LEU N N 127 122.531 122.531 119.984 2.547 18521 11404 1 12 . 1 1 127 127 LEU HA H 127 3.841 3.841 3.780 0.061 18521 11405 1 12 . 1 1 127 127 LEU C C 127 179.582 179.582 178.930 0.652 18521 11406 1 12 . 1 1 127 127 LEU CA C 127 58.632 58.632 57.788 0.844 18521 11407 1 12 . 1 1 127 127 LEU CB C 127 42.680 42.680 41.585 1.095 18521 11408 1 12 . 1 1 127 127 LEU H H 127 8.888 8.888 7.370 1.518 18521 11409 1 12 . 1 1 128 128 ILE N N 128 121.311 121.311 119.023 2.288 18521 11410 1 12 . 1 1 128 128 ILE HA H 128 3.938 3.938 3.719 0.219 18521 11411 1 12 . 1 1 128 128 ILE C C 128 176.725 176.725 178.137 -1.412 18521 11412 1 12 . 1 1 128 128 ILE CA C 128 60.922 60.922 64.748 -3.825 18521 11413 1 12 . 1 1 128 128 ILE CB C 128 38.971 38.971 37.209 1.762 18521 11414 1 12 . 1 1 128 128 ILE H H 128 7.469 7.469 7.918 -0.449 18521 11415 1 12 . 1 1 129 129 ASN N N 129 122.727 122.727 118.447 4.280 18521 11416 1 12 . 1 1 129 129 ASN HA H 129 4.582 4.582 4.439 0.143 18521 11417 1 12 . 1 1 129 129 ASN C C 129 177.132 177.132 177.442 -0.310 18521 11418 1 12 . 1 1 129 129 ASN CA C 129 52.982 52.982 57.241 -4.259 18521 11419 1 12 . 1 1 129 129 ASN CB C 129 38.792 38.792 38.289 0.503 18521 11420 1 12 . 1 1 129 129 ASN H H 129 8.173 8.173 8.195 -0.022 18521 11421 1 12 . 1 1 130 130 ILE N N 130 120.527 120.527 121.396 -0.869 18521 11422 1 12 . 1 1 130 130 ILE HA H 130 4.305 4.305 3.070 1.235 18521 11423 1 12 . 1 1 130 130 ILE C C 130 175.796 175.796 177.475 -1.679 18521 11424 1 12 . 1 1 130 130 ILE CA C 130 61.246 61.246 64.456 -3.210 18521 11425 1 12 . 1 1 130 130 ILE CB C 130 38.797 38.797 37.215 1.582 18521 11426 1 12 . 1 1 130 130 ILE H H 130 8.096 8.096 7.407 0.689 18521 11427 1 12 . 1 1 131 131 ASP N N 131 122.165 122.165 121.739 0.426 18521 11428 1 12 . 1 1 131 131 ASP HA H 131 4.416 4.416 4.061 0.355 18521 11429 1 12 . 1 1 131 131 ASP C C 131 176.750 176.750 178.408 -1.658 18521 11430 1 12 . 1 1 131 131 ASP CA C 131 55.955 55.955 58.067 -2.112 18521 11431 1 12 . 1 1 131 131 ASP CB C 131 41.117 41.117 40.726 0.391 18521 11432 1 12 . 1 1 131 131 ASP H H 131 8.157 8.157 7.783 0.374 18521 11433 1 12 . 1 1 132 132 LYS N N 132 119.537 119.537 118.140 1.397 18521 11434 1 12 . 1 1 132 132 LYS HA H 132 4.373 4.373 3.965 0.408 18521 11435 1 12 . 1 1 132 132 LYS C C 132 176.405 176.405 178.388 -1.983 18521 11436 1 12 . 1 1 132 132 LYS CA C 132 55.699 55.699 59.221 -3.522 18521 11437 1 12 . 1 1 132 132 LYS CB C 132 32.822 32.822 32.170 0.651 18521 11438 1 12 . 1 1 132 132 LYS H H 132 8.023 8.023 7.746 0.277 18521 11439 1 12 . 1 1 133 133 LEU N N 133 120.242 120.242 120.323 -0.081 18521 11440 1 12 . 1 1 133 133 LEU HA H 133 4.158 4.158 4.311 -0.153 18521 11441 1 12 . 1 1 133 133 LEU C C 133 178.449 178.449 179.818 -1.369 18521 11442 1 12 . 1 1 133 133 LEU CA C 133 57.538 57.538 58.255 -0.717 18521 11443 1 12 . 1 1 133 133 LEU CB C 133 41.572 41.572 42.882 -1.310 18521 11444 1 12 . 1 1 133 133 LEU H H 133 8.024 8.024 7.859 0.165 18521 11445 1 12 . 1 1 134 134 GLN N N 134 117.985 117.985 117.895 0.090 18521 11446 1 12 . 1 1 134 134 GLN HA H 134 4.018 4.018 3.869 0.149 18521 11447 1 12 . 1 1 134 134 GLN C C 134 179.500 179.500 177.021 2.479 18521 11448 1 12 . 1 1 134 134 GLN CA C 134 58.175 58.175 57.974 0.201 18521 11449 1 12 . 1 1 134 134 GLN CB C 134 29.102 29.102 28.308 0.794 18521 11450 1 12 . 1 1 134 134 GLN H H 134 8.536 8.536 8.363 0.173 18521 11451 1 12 . 1 1 135 135 TRP N N 135 115.550 115.550 115.941 -0.391 18521 11452 1 12 . 1 1 135 135 TRP HA H 135 4.991 4.991 4.933 0.058 18521 11453 1 12 . 1 1 135 135 TRP C C 135 175.170 175.170 175.343 -0.173 18521 11454 1 12 . 1 1 135 135 TRP CA C 135 59.426 59.426 56.027 3.399 18521 11455 1 12 . 1 1 135 135 TRP CB C 135 26.894 26.894 28.279 -1.385 18521 11456 1 12 . 1 1 135 135 TRP H H 135 7.727 7.727 7.399 0.328 18521 11457 1 12 . 1 1 136 136 LYS N N 136 119.841 119.841 120.643 -0.802 18521 11458 1 12 . 1 1 136 136 LYS HA H 136 3.830 3.830 4.065 -0.235 18521 11459 1 12 . 1 1 136 136 LYS C C 136 178.330 178.330 178.768 -0.438 18521 11460 1 12 . 1 1 136 136 LYS CA C 136 60.194 60.194 60.244 -0.050 18521 11461 1 12 . 1 1 136 136 LYS CB C 136 32.902 32.902 32.463 0.439 18521 11462 1 12 . 1 1 136 136 LYS H H 136 6.580 6.580 7.661 -1.081 18521 11463 1 12 . 1 1 137 137 GLU N N 137 115.250 115.250 115.841 -0.591 18521 11464 1 12 . 1 1 137 137 GLU HA H 137 4.177 4.177 4.163 0.014 18521 11465 1 12 . 1 1 137 137 GLU C C 137 176.698 176.698 177.266 -0.568 18521 11466 1 12 . 1 1 137 137 GLU CA C 137 57.766 57.766 58.219 -0.453 18521 11467 1 12 . 1 1 137 137 GLU CB C 137 29.221 29.221 29.017 0.204 18521 11468 1 12 . 1 1 137 137 GLU H H 137 8.549 8.549 8.777 -0.228 18521 11469 1 12 . 1 1 138 138 ASN N N 138 116.578 116.578 115.868 0.710 18521 11470 1 12 . 1 1 138 138 ASN HA H 138 4.943 4.943 4.738 0.205 18521 11471 1 12 . 1 1 138 138 ASN C C 138 173.448 173.448 174.379 -0.931 18521 11472 1 12 . 1 1 138 138 ASN CA C 138 52.681 52.681 53.457 -0.776 18521 11473 1 12 . 1 1 138 138 ASN CB C 138 40.833 40.833 39.677 1.156 18521 11474 1 12 . 1 1 138 138 ASN H H 138 8.337 8.337 7.689 0.648 18521 11475 1 12 . 1 1 139 139 ILE N N 139 120.835 120.835 119.498 1.337 18521 11476 1 12 . 1 1 139 139 ILE HA H 139 4.339 4.339 4.292 0.047 18521 11477 1 12 . 1 1 139 139 ILE C C 139 175.219 175.219 175.041 0.178 18521 11478 1 12 . 1 1 139 139 ILE CA C 139 60.867 60.867 60.514 0.353 18521 11479 1 12 . 1 1 139 139 ILE CB C 139 40.270 40.270 39.890 0.380 18521 11480 1 12 . 1 1 139 139 ILE H H 139 7.138 7.138 7.228 -0.090 18521 11481 1 12 . 1 1 140 140 MET N N 140 123.319 123.319 122.215 1.104 18521 11482 1 12 . 1 1 140 140 MET HA H 140 4.324 4.324 4.506 -0.182 18521 11483 1 12 . 1 1 140 140 MET C C 140 177.931 177.931 177.063 0.868 18521 11484 1 12 . 1 1 140 140 MET CA C 140 58.511 58.511 55.415 3.096 18521 11485 1 12 . 1 1 140 140 MET CB C 140 65.156 65.156 64.541 0.615 18521 11486 1 12 . 1 1 140 140 MET H H 140 8.714 8.714 8.376 0.338 18521 11487 1 12 . 1 1 141 141 LEU N N 141 120.610 120.610 123.862 -3.252 18521 11488 1 12 . 1 1 141 141 LEU HA H 141 4.047 4.047 4.070 -0.023 18521 11489 1 12 . 1 1 141 141 LEU C C 141 177.281 177.281 179.098 -1.817 18521 11490 1 12 . 1 1 141 141 LEU CA C 141 58.362 58.362 58.312 0.050 18521 11491 1 12 . 1 1 141 141 LEU H H 141 8.333 8.333 8.906 -0.573 18521 11492 1 12 . 1 1 142 142 ASP N N 142 121.268 121.268 121.376 -0.108 18521 11493 1 12 . 1 1 142 142 ASP HA H 142 4.415 4.415 4.629 -0.214 18521 11494 1 12 . 1 1 142 142 ASP C C 142 175.916 175.916 178.470 -2.554 18521 11495 1 12 . 1 1 142 142 ASP CA C 142 54.678 54.678 58.370 -3.692 18521 11496 1 12 . 1 1 142 142 ASP CB C 142 68.329 68.329 68.558 -0.229 18521 11497 1 12 . 1 1 142 142 ASP H H 142 8.199 8.199 8.312 -0.113 18521 11498 1 12 . 1 1 143 143 LEU N N 143 120.218 120.218 122.629 -2.411 18521 11499 1 12 . 1 1 143 143 LEU HA H 143 4.108 4.108 4.129 -0.021 18521 11500 1 12 . 1 1 143 143 LEU C C 143 176.205 176.205 178.756 -2.551 18521 11501 1 12 . 1 1 143 143 LEU CA C 143 57.314 57.314 58.793 -1.479 18521 11502 1 12 . 1 1 143 143 LEU CB C 143 39.700 39.700 41.696 -1.996 18521 11503 1 12 . 1 1 143 143 LEU H H 143 7.858 7.858 8.112 -0.254 18521 11504 1 12 . 1 1 144 144 ILE N N 144 121.582 121.582 125.873 -4.291 18521 11505 1 12 . 1 1 144 144 ILE HA H 144 4.083 4.083 3.709 0.374 18521 11506 1 12 . 1 1 144 144 ILE C C 144 177.130 177.130 177.765 -0.635 18521 11507 1 12 . 1 1 144 144 ILE CA C 144 60.697 60.697 66.661 -5.964 18521 11508 1 12 . 1 1 144 144 ILE CB C 144 38.565 38.565 37.709 0.856 18521 11509 1 12 . 1 1 144 144 ILE H H 144 7.948 7.948 8.083 -0.135 18521 11510 1 12 . 1 1 145 145 GLU N N 145 120.974 120.974 121.488 -0.514 18521 11511 1 12 . 1 1 145 145 GLU HA H 145 4.049 4.049 4.211 -0.162 18521 11512 1 12 . 1 1 145 145 GLU C C 145 179.664 179.664 178.515 1.149 18521 11513 1 12 . 1 1 145 145 GLU CA C 145 59.673 59.673 59.688 -0.015 18521 11514 1 12 . 1 1 145 145 GLU CB C 145 29.521 29.521 29.620 -0.099 18521 11515 1 12 . 1 1 145 145 GLU H H 145 7.869 7.869 7.956 -0.087 18521 11516 1 12 . 1 1 146 146 GLN N N 146 118.520 118.520 119.980 -1.460 18521 11517 1 12 . 1 1 146 146 GLN HA H 146 4.034 4.034 4.038 -0.004 18521 11518 1 12 . 1 1 146 146 GLN C C 146 178.820 178.820 177.738 1.082 18521 11519 1 12 . 1 1 146 146 GLN CA C 146 58.720 58.720 58.947 -0.227 18521 11520 1 12 . 1 1 146 146 GLN CB C 146 29.312 29.312 28.039 1.273 18521 11521 1 12 . 1 1 146 146 GLN H H 146 8.407 8.407 7.476 0.931 18521 11522 1 12 . 1 1 147 147 GLY N N 147 108.998 108.998 110.085 -1.087 18521 11523 1 12 . 1 1 147 147 GLY HA H 147 3.471 3.471 3.689 -0.218 18521 11524 1 12 . 1 1 147 147 GLY C C 147 175.794 175.794 176.451 -0.657 18521 11525 1 12 . 1 1 147 147 GLY CA C 147 47.525 47.525 48.168 -0.643 18521 11526 1 12 . 1 1 147 147 GLY CB C 147 41.801 41.801 41.270 0.531 18521 11527 1 12 . 1 1 147 147 GLY H H 147 8.059 8.059 7.621 0.438 18521 11528 1 12 . 1 1 148 148 ASP N N 148 124.022 124.022 118.813 5.209 18521 11529 1 12 . 1 1 148 148 ASP HA H 148 4.342 4.342 4.126 0.216 18521 11530 1 12 . 1 1 148 148 ASP C C 148 175.607 175.607 178.524 -2.917 18521 11531 1 12 . 1 1 148 148 ASP CA C 148 57.252 57.252 57.459 -0.207 18521 11532 1 12 . 1 1 148 148 ASP CB C 148 39.918 39.918 40.384 -0.466 18521 11533 1 12 . 1 1 148 148 ASP H H 148 8.522 8.522 8.487 0.035 18521 11534 1 12 . 1 1 149 149 GLU N N 149 121.333 121.333 119.965 1.368 18521 11535 1 12 . 1 1 149 149 GLU HA H 149 4.008 4.008 3.951 0.057 18521 11536 1 12 . 1 1 149 149 GLU C C 149 175.652 175.652 178.754 -3.102 18521 11537 1 12 . 1 1 149 149 GLU CA C 149 59.394 59.394 59.637 -0.243 18521 11538 1 12 . 1 1 149 149 GLU CB C 149 32.048 32.048 32.255 -0.207 18521 11539 1 12 . 1 1 149 149 GLU H H 149 7.768 7.768 8.130 -0.362 18521 11540 1 12 . 1 1 150 150 LEU N N 150 120.820 120.820 119.183 1.637 18521 11541 1 12 . 1 1 150 150 LEU HA H 150 3.718 3.718 4.031 -0.313 18521 11542 1 12 . 1 1 150 150 LEU C C 150 179.476 179.476 179.494 -0.018 18521 11543 1 12 . 1 1 150 150 LEU CA C 150 57.656 57.656 57.867 -0.211 18521 11544 1 12 . 1 1 150 150 LEU CB C 150 28.936 28.936 29.529 -0.593 18521 11545 1 12 . 1 1 150 150 LEU H H 150 8.113 8.113 7.270 0.843 18521 11546 1 12 . 1 1 151 151 GLN N N 151 118.698 118.698 119.413 -0.715 18521 11547 1 12 . 1 1 151 151 GLN HA H 151 3.990 3.990 3.634 0.356 18521 11548 1 12 . 1 1 151 151 GLN C C 151 178.418 178.418 177.339 1.079 18521 11549 1 12 . 1 1 151 151 GLN CA C 151 58.570 58.570 59.882 -1.312 18521 11550 1 12 . 1 1 151 151 GLN CB C 151 38.409 38.409 37.459 0.950 18521 11551 1 12 . 1 1 151 151 GLN H H 151 8.282 8.282 7.686 0.596 18521 11552 1 12 . 1 1 152 152 GLU N N 152 120.750 120.750 119.995 0.755 18521 11553 1 12 . 1 1 152 152 GLU HA H 152 4.035 4.035 3.975 0.060 18521 11554 1 12 . 1 1 152 152 GLU C C 152 178.916 178.916 178.887 0.029 18521 11555 1 12 . 1 1 152 152 GLU CA C 152 59.223 59.223 59.344 -0.121 18521 11556 1 12 . 1 1 152 152 GLU CB C 152 29.322 29.322 29.206 0.116 18521 11557 1 12 . 1 1 152 152 GLU H H 152 7.499 7.499 8.279 -0.780 18521 11558 1 12 . 1 1 153 153 VAL N N 153 120.317 120.317 120.767 -0.450 18521 11559 1 12 . 1 1 153 153 VAL HA H 153 3.695 3.695 3.801 -0.106 18521 11560 1 12 . 1 1 153 153 VAL C C 153 178.846 178.846 178.321 0.525 18521 11561 1 12 . 1 1 153 153 VAL CA C 153 65.832 65.832 66.457 -0.625 18521 11562 1 12 . 1 1 153 153 VAL CB C 153 31.921 31.921 31.814 0.107 18521 11563 1 12 . 1 1 153 153 VAL H H 153 7.763 7.763 8.574 -0.811 18521 11564 1 12 . 1 1 154 154 LEU N N 154 121.374 121.374 119.933 1.441 18521 11565 1 12 . 1 1 154 154 LEU HA H 154 3.917 3.917 3.995 -0.078 18521 11566 1 12 . 1 1 154 154 LEU C C 154 178.836 178.836 178.623 0.213 18521 11567 1 12 . 1 1 154 154 LEU CA C 154 57.439 57.439 58.302 -0.863 18521 11568 1 12 . 1 1 154 154 LEU CB C 154 41.797 41.797 41.009 0.788 18521 11569 1 12 . 1 1 154 154 LEU H H 154 7.731 7.731 8.089 -0.358 18521 11570 1 12 . 1 1 155 155 ALA N N 155 121.695 121.695 124.043 -2.348 18521 11571 1 12 . 1 1 155 155 ALA HA H 155 4.145 4.145 3.849 0.296 18521 11572 1 12 . 1 1 155 155 ALA C C 155 179.502 179.502 180.080 -0.578 18521 11573 1 12 . 1 1 155 155 ALA CA C 155 54.175 54.175 55.497 -1.322 18521 11574 1 12 . 1 1 155 155 ALA CB C 155 18.499 18.499 18.694 -0.195 18521 11575 1 12 . 1 1 155 155 ALA H H 155 7.896 7.896 7.705 0.191 18521 11576 1 12 . 1 1 156 156 MET N N 156 117.652 117.652 118.843 -1.191 18521 11577 1 12 . 1 1 156 156 MET HA H 156 4.228 4.228 3.908 0.320 18521 11578 1 12 . 1 1 156 156 MET C C 156 177.366 177.366 178.206 -0.840 18521 11579 1 12 . 1 1 156 156 MET CA C 156 57.306 57.306 59.328 -2.022 18521 11580 1 12 . 1 1 156 156 MET CB C 156 32.373 32.373 32.550 -0.177 18521 11581 1 12 . 1 1 156 156 MET H H 156 7.778 7.778 8.254 -0.476 18521 11582 1 12 . 1 1 157 157 ASN N N 157 117.853 117.853 117.487 0.366 18521 11583 1 12 . 1 1 157 157 ASN HA H 157 4.588 4.588 4.209 0.379 18521 11584 1 12 . 1 1 157 157 ASN C C 157 175.211 175.211 177.558 -2.347 18521 11585 1 12 . 1 1 157 157 ASN CA C 157 54.068 54.068 57.448 -3.380 18521 11586 1 12 . 1 1 157 157 ASN CB C 157 39.125 39.125 38.246 0.879 18521 11587 1 12 . 1 1 157 157 ASN H H 157 8.009 8.009 8.346 -0.337 18521 11588 1 12 . 1 1 158 158 ASN N N 158 117.684 117.684 117.571 0.113 18521 11589 1 12 . 1 1 158 158 ASN HA H 158 4.612 4.612 4.318 0.294 18521 11590 1 12 . 1 1 158 158 ASN C C 158 174.669 174.669 177.351 -2.682 18521 11591 1 12 . 1 1 158 158 ASN CA C 158 53.554 53.554 56.202 -2.648 18521 11592 1 12 . 1 1 158 158 ASN CB C 158 39.343 39.343 37.935 1.408 18521 11593 1 12 . 1 1 158 158 ASN H H 158 7.951 7.951 8.796 -0.845 18521 11594 1 12 . 1 1 159 159 ASN N N 159 119.399 119.399 117.206 2.193 18521 11595 1 12 . 1 1 159 159 ASN HA H 159 4.583 4.583 4.435 0.148 18521 11596 1 12 . 1 1 159 159 ASN C C 159 175.563 175.563 177.611 -2.048 18521 11597 1 12 . 1 1 159 159 ASN CA C 159 53.901 53.901 56.255 -2.354 18521 11598 1 12 . 1 1 159 159 ASN CB C 159 38.425 38.425 37.978 0.447 18521 11599 1 12 . 1 1 159 159 ASN H H 159 8.319 8.319 7.618 0.701 18521 11600 1 12 . 1 1 160 160 SER N N 160 115.453 115.453 117.052 -1.599 18521 11601 1 12 . 1 1 160 160 SER HA H 160 4.324 4.324 4.054 0.270 18521 11602 1 12 . 1 1 160 160 SER C C 160 174.952 174.952 177.053 -2.101 18521 11603 1 12 . 1 1 160 160 SER CA C 160 58.851 58.851 61.352 -2.501 18521 11604 1 12 . 1 1 160 160 SER CB C 160 63.704 63.704 62.903 0.801 18521 11605 1 12 . 1 1 160 160 SER H H 160 8.297 8.297 7.477 0.820 18521 11606 1 12 . 1 1 161 161 GLY N N 161 110.851 110.851 106.717 4.134 18521 11607 1 12 . 1 1 161 161 GLY HA H 161 4.146 4.146 4.087 0.059 18521 11608 1 12 . 1 1 161 161 GLY C C 161 173.974 173.974 177.790 -3.816 18521 11609 1 12 . 1 1 161 161 GLY CA C 161 45.348 45.348 48.133 -2.785 18521 11610 1 12 . 1 1 161 161 GLY CB C 161 42.245 42.245 41.786 0.459 18521 11611 1 12 . 1 1 161 161 GLY H H 161 8.328 8.328 8.464 -0.136 18521 11612 1 12 . 1 1 162 162 GLU N N 162 120.859 120.859 119.222 1.637 18521 11613 1 12 . 1 1 162 162 GLU HA H 162 4.211 4.211 4.202 0.009 18521 11614 1 12 . 1 1 162 162 GLU C C 162 177.522 177.522 177.708 -0.186 18521 11615 1 12 . 1 1 162 162 GLU CA C 162 56.065 56.065 59.015 -2.950 18521 11616 1 12 . 1 1 162 162 GLU CB C 162 29.852 29.852 29.169 0.683 18521 11617 1 12 . 1 1 162 162 GLU H H 162 8.244 8.244 7.921 0.323 18521 11618 1 12 . 1 1 163 163 LEU N N 163 124.226 124.226 117.585 6.641 18521 11619 1 12 . 1 1 163 163 LEU HA H 163 3.889 3.889 4.353 -0.464 18521 11620 1 12 . 1 1 163 163 LEU C C 163 178.043 178.043 176.779 1.264 18521 11621 1 12 . 1 1 163 163 LEU CA C 163 57.163 57.163 54.431 2.732 18521 11622 1 12 . 1 1 163 163 LEU CB C 163 41.840 41.840 42.188 -0.348 18521 11623 1 12 . 1 1 163 163 LEU H H 163 8.337 8.337 7.665 0.672 18521 11624 1 12 . 1 1 164 164 ASP N N 164 116.994 116.994 119.389 -2.395 18521 11625 1 12 . 1 1 164 164 ASP HA H 164 4.327 4.327 4.263 0.064 18521 11626 1 12 . 1 1 164 164 ASP C C 164 176.423 176.423 176.873 -0.450 18521 11627 1 12 . 1 1 164 164 ASP CA C 164 55.427 55.427 54.841 0.586 18521 11628 1 12 . 1 1 164 164 ASP H H 164 8.188 8.188 7.679 0.509 18521 11629 1 12 . 1 1 165 165 ASP N N 165 118.967 118.967 119.192 -0.225 18521 11630 1 12 . 1 1 165 165 ASP HA H 165 4.443 4.443 4.471 -0.028 18521 11631 1 12 . 1 1 165 165 ASP C C 165 175.654 175.654 176.348 -0.694 18521 11632 1 12 . 1 1 165 165 ASP CA C 165 54.707 54.707 55.128 -0.421 18521 11633 1 12 . 1 1 165 165 ASP CB C 165 40.973 40.973 41.274 -0.301 18521 11634 1 12 . 1 1 165 165 ASP H H 165 7.701 7.701 8.060 -0.359 18521 11635 1 12 . 1 1 166 166 ILE N N 166 122.002 122.002 119.782 2.220 18521 11636 1 12 . 1 1 166 166 ILE HA H 166 4.049 4.049 4.039 0.010 18521 11637 1 12 . 1 1 166 166 ILE C C 166 175.180 175.180 175.172 0.008 18521 11638 1 12 . 1 1 166 166 ILE CA C 166 60.396 60.396 59.828 0.568 18521 11639 1 12 . 1 1 166 166 ILE CB C 166 39.185 39.185 37.600 1.585 18521 11640 1 12 . 1 1 166 166 ILE H H 166 7.388 7.388 7.210 0.178 18521 11641 1 13 . 1 1 2 2 ALA N N 2 122.445 122.445 124.712 -2.267 18521 11642 1 13 . 1 1 2 2 ALA HA H 2 4.045 4.045 4.007 0.038 18521 11643 1 13 . 1 1 2 2 ALA C C 2 179.992 179.992 178.852 1.140 18521 11644 1 13 . 1 1 2 2 ALA CA C 2 55.140 55.140 54.794 0.346 18521 11645 1 13 . 1 1 2 2 ALA CB C 2 18.482 18.482 17.999 0.483 18521 11646 1 13 . 1 1 2 2 ALA H H 2 8.545 8.545 8.495 0.050 18521 11647 1 13 . 1 1 3 3 SER N N 3 115.544 115.544 114.377 1.167 18521 11648 1 13 . 1 1 3 3 SER HA H 3 4.030 4.030 4.106 -0.076 18521 11649 1 13 . 1 1 3 3 SER C C 3 176.584 176.584 176.622 -0.038 18521 11650 1 13 . 1 1 3 3 SER CA C 3 60.748 60.748 61.510 -0.762 18521 11651 1 13 . 1 1 3 3 SER CB C 3 62.416 62.416 62.670 -0.254 18521 11652 1 13 . 1 1 3 3 SER H H 3 8.009 8.009 8.473 -0.464 18521 11653 1 13 . 1 1 4 4 ASN N N 4 123.103 123.103 119.034 4.069 18521 11654 1 13 . 1 1 4 4 ASN HA H 4 4.318 4.318 4.465 -0.147 18521 11655 1 13 . 1 1 4 4 ASN C C 4 176.215 176.215 177.295 -1.080 18521 11656 1 13 . 1 1 4 4 ASN CA C 4 55.580 55.580 55.754 -0.174 18521 11657 1 13 . 1 1 4 4 ASN CB C 4 38.154 38.154 37.851 0.303 18521 11658 1 13 . 1 1 4 4 ASN H H 4 7.965 7.965 7.662 0.303 18521 11659 1 13 . 1 1 5 5 ALA N N 5 122.314 122.314 122.235 0.079 18521 11660 1 13 . 1 1 5 5 ALA HA H 5 3.560 3.560 3.988 -0.428 18521 11661 1 13 . 1 1 5 5 ALA C C 5 178.543 178.543 179.271 -0.728 18521 11662 1 13 . 1 1 5 5 ALA CA C 5 55.774 55.774 54.908 0.865 18521 11663 1 13 . 1 1 5 5 ALA CB C 5 17.638 17.638 17.982 -0.344 18521 11664 1 13 . 1 1 5 5 ALA H H 5 8.721 8.721 7.451 1.270 18521 11665 1 13 . 1 1 6 6 ALA N N 6 117.886 117.886 121.541 -3.655 18521 11666 1 13 . 1 1 6 6 ALA HA H 6 3.784 3.784 4.003 -0.219 18521 11667 1 13 . 1 1 6 6 ALA C C 6 180.378 180.378 179.546 0.832 18521 11668 1 13 . 1 1 6 6 ALA CA C 6 55.240 55.240 54.987 0.253 18521 11669 1 13 . 1 1 6 6 ALA CB C 6 17.890 17.890 17.954 -0.064 18521 11670 1 13 . 1 1 6 6 ALA H H 6 7.891 7.891 7.368 0.523 18521 11671 1 13 . 1 1 7 7 ARG N N 7 120.992 120.992 119.240 1.752 18521 11672 1 13 . 1 1 7 7 ARG HA H 7 3.770 3.770 4.041 -0.271 18521 11673 1 13 . 1 1 7 7 ARG C C 7 179.531 179.531 178.552 0.979 18521 11674 1 13 . 1 1 7 7 ARG CA C 7 59.249 59.249 59.398 -0.149 18521 11675 1 13 . 1 1 7 7 ARG CB C 7 29.546 29.546 30.379 -0.833 18521 11676 1 13 . 1 1 7 7 ARG H H 7 7.503 7.503 7.611 -0.108 18521 11677 1 13 . 1 1 8 8 VAL N N 8 123.707 123.707 119.463 4.244 18521 11678 1 13 . 1 1 8 8 VAL HA H 8 3.285 3.285 3.832 -0.547 18521 11679 1 13 . 1 1 8 8 VAL C C 8 177.740 177.740 178.261 -0.521 18521 11680 1 13 . 1 1 8 8 VAL CA C 8 67.839 67.839 65.917 1.922 18521 11681 1 13 . 1 1 8 8 VAL CB C 8 31.516 31.516 31.045 0.471 18521 11682 1 13 . 1 1 8 8 VAL H H 8 8.176 8.176 7.940 0.236 18521 11683 1 13 . 1 1 9 9 VAL N N 9 119.893 119.893 120.526 -0.633 18521 11684 1 13 . 1 1 9 9 VAL HA H 9 3.286 3.286 3.468 -0.182 18521 11685 1 13 . 1 1 9 9 VAL C C 9 177.535 177.535 177.938 -0.403 18521 11686 1 13 . 1 1 9 9 VAL CA C 9 67.549 67.549 67.325 0.224 18521 11687 1 13 . 1 1 9 9 VAL CB C 9 31.683 31.683 31.221 0.462 18521 11688 1 13 . 1 1 9 9 VAL H H 9 8.329 8.329 7.780 0.549 18521 11689 1 13 . 1 1 10 10 ALA N N 10 122.541 122.541 121.408 1.133 18521 11690 1 13 . 1 1 10 10 ALA HA H 10 3.971 3.971 4.075 -0.104 18521 11691 1 13 . 1 1 10 10 ALA C C 10 177.093 177.093 179.682 -2.589 18521 11692 1 13 . 1 1 10 10 ALA CA C 10 55.448 55.448 55.501 -0.053 18521 11693 1 13 . 1 1 10 10 ALA CB C 10 17.791 17.791 18.310 -0.519 18521 11694 1 13 . 1 1 10 10 ALA H H 10 7.802 7.802 8.065 -0.263 18521 11695 1 13 . 1 1 11 11 THR N N 11 116.946 116.946 115.919 1.027 18521 11696 1 13 . 1 1 11 11 THR HA H 11 3.821 3.821 4.002 -0.181 18521 11697 1 13 . 1 1 11 11 THR C C 11 175.702 175.702 176.732 -1.030 18521 11698 1 13 . 1 1 11 11 THR CA C 11 66.531 66.531 66.347 0.184 18521 11699 1 13 . 1 1 11 11 THR CB C 11 68.493 68.493 68.381 0.112 18521 11700 1 13 . 1 1 11 11 THR H H 11 8.187 8.187 8.516 -0.329 18521 11701 1 13 . 1 1 12 12 ALA N N 12 125.357 125.357 124.083 1.274 18521 11702 1 13 . 1 1 12 12 ALA HA H 12 4.003 4.003 4.063 -0.060 18521 11703 1 13 . 1 1 12 12 ALA C C 12 179.401 179.401 179.347 0.054 18521 11704 1 13 . 1 1 12 12 ALA CA C 12 56.083 56.083 55.339 0.744 18521 11705 1 13 . 1 1 12 12 ALA CB C 12 18.855 18.855 18.181 0.674 18521 11706 1 13 . 1 1 12 12 ALA H H 12 8.641 8.641 8.561 0.080 18521 11707 1 13 . 1 1 13 13 LYS N N 13 117.246 117.246 117.155 0.091 18521 11708 1 13 . 1 1 13 13 LYS HA H 13 3.964 3.964 4.076 -0.112 18521 11709 1 13 . 1 1 13 13 LYS C C 13 180.132 180.132 178.385 1.747 18521 11710 1 13 . 1 1 13 13 LYS CA C 13 58.991 58.991 59.358 -0.367 18521 11711 1 13 . 1 1 13 13 LYS CB C 13 32.014 32.014 32.043 -0.029 18521 11712 1 13 . 1 1 13 13 LYS H H 13 7.961 7.961 7.674 0.287 18521 11713 1 13 . 1 1 14 14 ASP N N 14 122.162 122.162 119.676 2.486 18521 11714 1 13 . 1 1 14 14 ASP HA H 14 4.355 4.355 4.416 -0.061 18521 11715 1 13 . 1 1 14 14 ASP C C 14 179.394 179.394 178.319 1.075 18521 11716 1 13 . 1 1 14 14 ASP CA C 14 57.524 57.524 56.920 0.604 18521 11717 1 13 . 1 1 14 14 ASP CB C 14 39.984 39.984 40.366 -0.382 18521 11718 1 13 . 1 1 14 14 ASP H H 14 7.702 7.702 7.773 -0.071 18521 11719 1 13 . 1 1 15 15 PHE N N 15 119.552 119.552 118.302 1.250 18521 11720 1 13 . 1 1 15 15 PHE HA H 15 4.307 4.307 4.192 0.115 18521 11721 1 13 . 1 1 15 15 PHE C C 15 178.383 178.383 177.961 0.422 18521 11722 1 13 . 1 1 15 15 PHE CA C 15 62.313 62.313 61.744 0.569 18521 11723 1 13 . 1 1 15 15 PHE CB C 15 37.340 37.340 38.834 -1.494 18521 11724 1 13 . 1 1 15 15 PHE H H 15 7.970 7.970 7.634 0.336 18521 11725 1 13 . 1 1 16 16 ASP N N 16 121.464 121.464 119.759 1.705 18521 11726 1 13 . 1 1 16 16 ASP HA H 16 4.016 4.016 4.480 -0.464 18521 11727 1 13 . 1 1 16 16 ASP C C 16 179.923 179.923 179.471 0.452 18521 11728 1 13 . 1 1 16 16 ASP CA C 16 58.030 58.030 57.311 0.719 18521 11729 1 13 . 1 1 16 16 ASP CB C 16 41.407 41.407 40.186 1.221 18521 11730 1 13 . 1 1 16 16 ASP H H 16 8.259 8.259 7.864 0.395 18521 11731 1 13 . 1 1 17 17 LYS N N 17 118.806 118.806 120.078 -1.272 18521 11732 1 13 . 1 1 17 17 LYS HA H 17 4.047 4.047 4.107 -0.061 18521 11733 1 13 . 1 1 17 17 LYS C C 17 178.432 178.432 178.348 0.084 18521 11734 1 13 . 1 1 17 17 LYS CA C 17 59.018 59.018 58.901 0.117 18521 11735 1 13 . 1 1 17 17 LYS CB C 17 32.592 32.592 32.533 0.059 18521 11736 1 13 . 1 1 17 17 LYS H H 17 7.842 7.842 7.973 -0.131 18521 11737 1 13 . 1 1 18 18 VAL N N 18 110.416 110.416 116.648 -6.232 18521 11738 1 13 . 1 1 18 18 VAL HA H 18 4.523 4.523 4.010 0.513 18521 11739 1 13 . 1 1 18 18 VAL C C 18 176.089 176.089 176.041 0.048 18521 11740 1 13 . 1 1 18 18 VAL CA C 18 60.797 60.797 62.975 -2.179 18521 11741 1 13 . 1 1 18 18 VAL CB C 18 31.194 31.194 32.430 -1.236 18521 11742 1 13 . 1 1 18 18 VAL H H 18 7.198 7.198 7.775 -0.577 18521 11743 1 13 . 1 1 19 19 GLY N N 19 109.008 109.008 107.971 1.037 18521 11744 1 13 . 1 1 19 19 GLY C C 19 175.070 175.070 174.501 0.569 18521 11745 1 13 . 1 1 19 19 GLY CA C 19 45.842 45.842 45.384 0.458 18521 11746 1 13 . 1 1 19 19 GLY H H 19 7.731 7.731 7.641 0.090 18521 11747 1 13 . 1 1 20 20 LEU N N 20 125.244 125.244 123.046 2.198 18521 11748 1 13 . 1 1 20 20 LEU HA H 20 4.938 4.938 4.646 0.292 18521 11749 1 13 . 1 1 20 20 LEU C C 20 177.890 177.890 176.914 0.976 18521 11750 1 13 . 1 1 20 20 LEU CA C 20 52.674 52.674 53.237 -0.563 18521 11751 1 13 . 1 1 20 20 LEU CB C 20 40.239 40.239 40.155 0.084 18521 11752 1 13 . 1 1 20 20 LEU H H 20 8.102 8.102 8.391 -0.289 18521 11753 1 13 . 1 1 21 21 GLY N N 21 108.031 108.031 110.227 -2.196 18521 11754 1 13 . 1 1 21 21 GLY C C 21 176.174 176.174 175.914 0.260 18521 11755 1 13 . 1 1 21 21 GLY CA C 21 47.352 47.352 47.407 -0.055 18521 11756 1 13 . 1 1 21 21 GLY H H 21 8.046 8.046 8.051 -0.005 18521 11757 1 13 . 1 1 22 22 ILE N N 22 121.173 121.173 121.830 -0.657 18521 11758 1 13 . 1 1 22 22 ILE HA H 22 3.944 3.944 3.727 0.217 18521 11759 1 13 . 1 1 22 22 ILE C C 22 176.119 176.119 177.642 -1.523 18521 11760 1 13 . 1 1 22 22 ILE CA C 22 61.179 61.179 64.723 -3.544 18521 11761 1 13 . 1 1 22 22 ILE CB C 22 35.934 35.934 37.757 -1.823 18521 11762 1 13 . 1 1 22 22 ILE H H 22 8.395 8.395 8.112 0.283 18521 11763 1 13 . 1 1 23 23 ILE N N 23 120.647 120.647 119.923 0.724 18521 11764 1 13 . 1 1 23 23 ILE HA H 23 3.713 3.713 3.777 -0.064 18521 11765 1 13 . 1 1 23 23 ILE C C 23 178.458 178.458 178.682 -0.224 18521 11766 1 13 . 1 1 23 23 ILE CA C 23 64.266 64.266 62.487 1.779 18521 11767 1 13 . 1 1 23 23 ILE CB C 23 36.272 36.272 36.229 0.043 18521 11768 1 13 . 1 1 23 23 ILE H H 23 6.824 6.824 7.335 -0.511 18521 11769 1 13 . 1 1 24 24 GLY N N 24 103.326 103.326 107.810 -4.484 18521 11770 1 13 . 1 1 24 24 GLY C C 24 174.914 174.914 175.600 -0.686 18521 11771 1 13 . 1 1 24 24 GLY CA C 24 47.998 47.998 47.019 0.980 18521 11772 1 13 . 1 1 24 24 GLY H H 24 7.412 7.412 7.939 -0.527 18521 11773 1 13 . 1 1 25 25 TYR N N 25 124.188 124.188 124.070 0.118 18521 11774 1 13 . 1 1 25 25 TYR HA H 25 3.734 3.734 3.755 -0.021 18521 11775 1 13 . 1 1 25 25 TYR C C 25 176.055 176.055 177.185 -1.130 18521 11776 1 13 . 1 1 25 25 TYR CA C 25 60.962 60.962 60.749 0.213 18521 11777 1 13 . 1 1 25 25 TYR CB C 25 37.888 37.888 37.724 0.165 18521 11778 1 13 . 1 1 25 25 TYR H H 25 7.861 7.861 8.223 -0.362 18521 11779 1 13 . 1 1 26 26 TYR N N 26 117.390 117.390 117.301 0.089 18521 11780 1 13 . 1 1 26 26 TYR HA H 26 3.881 3.881 3.914 -0.033 18521 11781 1 13 . 1 1 26 26 TYR C C 26 178.653 178.653 177.933 0.720 18521 11782 1 13 . 1 1 26 26 TYR CA C 26 64.270 64.270 62.464 1.806 18521 11783 1 13 . 1 1 26 26 TYR CB C 26 37.453 37.453 38.191 -0.738 18521 11784 1 13 . 1 1 26 26 TYR H H 26 7.594 7.594 7.567 0.027 18521 11785 1 13 . 1 1 27 27 LEU N N 27 118.536 118.536 119.394 -0.858 18521 11786 1 13 . 1 1 27 27 LEU HA H 27 4.277 4.277 3.780 0.497 18521 11787 1 13 . 1 1 27 27 LEU C C 27 179.025 179.025 178.912 0.113 18521 11788 1 13 . 1 1 27 27 LEU CA C 27 58.382 58.382 58.197 0.185 18521 11789 1 13 . 1 1 27 27 LEU CB C 27 42.595 42.595 40.969 1.626 18521 11790 1 13 . 1 1 27 27 LEU H H 27 8.226 8.226 7.760 0.466 18521 11791 1 13 . 1 1 28 28 GLN N N 28 119.110 119.110 117.983 1.127 18521 11792 1 13 . 1 1 28 28 GLN HA H 28 3.665 3.665 3.812 -0.147 18521 11793 1 13 . 1 1 28 28 GLN C C 28 177.406 177.406 178.367 -0.961 18521 11794 1 13 . 1 1 28 28 GLN CA C 28 60.626 60.626 59.003 1.623 18521 11795 1 13 . 1 1 28 28 GLN CB C 28 28.959 28.959 28.542 0.417 18521 11796 1 13 . 1 1 28 28 GLN H H 28 8.007 8.007 8.192 -0.185 18521 11797 1 13 . 1 1 29 29 LEU N N 29 121.623 121.623 121.117 0.506 18521 11798 1 13 . 1 1 29 29 LEU HA H 29 3.718 3.718 3.861 -0.143 18521 11799 1 13 . 1 1 29 29 LEU C C 29 179.706 179.706 177.979 1.727 18521 11800 1 13 . 1 1 29 29 LEU CA C 29 58.382 58.382 57.174 1.208 18521 11801 1 13 . 1 1 29 29 LEU CB C 29 42.114 42.114 41.540 0.574 18521 11802 1 13 . 1 1 29 29 LEU H H 29 7.938 7.938 7.363 0.575 18521 11803 1 13 . 1 1 30 30 TYR N N 30 120.084 120.084 120.397 -0.313 18521 11804 1 13 . 1 1 30 30 TYR HA H 30 4.132 4.132 3.814 0.318 18521 11805 1 13 . 1 1 30 30 TYR C C 30 175.611 175.611 176.901 -1.290 18521 11806 1 13 . 1 1 30 30 TYR CA C 30 58.951 58.951 60.156 -1.204 18521 11807 1 13 . 1 1 30 30 TYR CB C 30 39.302 39.302 37.859 1.443 18521 11808 1 13 . 1 1 30 30 TYR H H 30 7.974 7.974 8.226 -0.252 18521 11809 1 13 . 1 1 31 31 ALA N N 31 121.802 121.802 120.941 0.861 18521 11810 1 13 . 1 1 31 31 ALA HA H 31 3.343 3.343 3.568 -0.225 18521 11811 1 13 . 1 1 31 31 ALA C C 31 178.911 178.911 179.413 -0.502 18521 11812 1 13 . 1 1 31 31 ALA CA C 31 55.429 55.429 54.759 0.670 18521 11813 1 13 . 1 1 31 31 ALA CB C 31 17.895 17.895 17.909 -0.014 18521 11814 1 13 . 1 1 31 31 ALA H H 31 8.504 8.504 8.203 0.301 18521 11815 1 13 . 1 1 32 32 VAL N N 32 116.528 116.528 118.312 -1.784 18521 11816 1 13 . 1 1 32 32 VAL HA H 32 3.249 3.249 3.459 -0.210 18521 11817 1 13 . 1 1 32 32 VAL C C 32 176.963 176.963 177.880 -0.917 18521 11818 1 13 . 1 1 32 32 VAL CA C 32 67.723 67.723 66.714 1.009 18521 11819 1 13 . 1 1 32 32 VAL CB C 32 31.403 31.403 31.040 0.363 18521 11820 1 13 . 1 1 32 32 VAL H H 32 8.027 8.027 7.584 0.443 18521 11821 1 13 . 1 1 33 33 GLU N N 33 118.609 118.609 119.386 -0.777 18521 11822 1 13 . 1 1 33 33 GLU HA H 33 3.804 3.804 4.003 -0.199 18521 11823 1 13 . 1 1 33 33 GLU C C 33 180.234 180.234 179.345 0.889 18521 11824 1 13 . 1 1 33 33 GLU CA C 33 59.446 59.446 59.265 0.181 18521 11825 1 13 . 1 1 33 33 GLU CB C 33 28.711 28.711 28.976 -0.265 18521 11826 1 13 . 1 1 33 33 GLU H H 33 7.299 7.299 7.437 -0.138 18521 11827 1 13 . 1 1 34 34 LEU N N 34 120.831 120.831 120.533 0.298 18521 11828 1 13 . 1 1 34 34 LEU HA H 34 3.702 3.702 3.970 -0.268 18521 11829 1 13 . 1 1 34 34 LEU C C 34 180.024 180.024 179.228 0.796 18521 11830 1 13 . 1 1 34 34 LEU CA C 34 57.815 57.815 57.898 -0.083 18521 11831 1 13 . 1 1 34 34 LEU CB C 34 42.097 42.097 41.313 0.784 18521 11832 1 13 . 1 1 34 34 LEU H H 34 8.168 8.168 7.101 1.067 18521 11833 1 13 . 1 1 35 35 ILE N N 35 120.733 120.733 119.112 1.621 18521 11834 1 13 . 1 1 35 35 ILE HA H 35 3.589 3.589 3.620 -0.031 18521 11835 1 13 . 1 1 35 35 ILE C C 35 178.501 178.501 179.092 -0.591 18521 11836 1 13 . 1 1 35 35 ILE CA C 35 65.363 65.363 65.191 0.172 18521 11837 1 13 . 1 1 35 35 ILE CB C 35 38.960 38.960 37.976 0.984 18521 11838 1 13 . 1 1 35 35 ILE H H 35 8.064 8.064 7.355 0.709 18521 11839 1 13 . 1 1 36 36 LEU N N 36 115.519 115.519 119.363 -3.844 18521 11840 1 13 . 1 1 36 36 LEU HA H 36 3.958 3.958 3.988 -0.030 18521 11841 1 13 . 1 1 36 36 LEU C C 36 178.244 178.244 178.453 -0.209 18521 11842 1 13 . 1 1 36 36 LEU CA C 36 56.069 56.069 57.432 -1.363 18521 11843 1 13 . 1 1 36 36 LEU CB C 36 40.528 40.528 41.613 -1.085 18521 11844 1 13 . 1 1 36 36 LEU H H 36 8.370 8.370 7.895 0.475 18521 11845 1 13 . 1 1 37 37 SER N N 37 113.976 113.976 111.349 2.627 18521 11846 1 13 . 1 1 37 37 SER HA H 37 4.197 4.197 4.274 -0.077 18521 11847 1 13 . 1 1 37 37 SER C C 37 173.934 173.934 174.192 -0.258 18521 11848 1 13 . 1 1 37 37 SER CA C 37 60.204 60.204 59.622 0.582 18521 11849 1 13 . 1 1 37 37 SER CB C 37 63.507 63.507 63.632 -0.125 18521 11850 1 13 . 1 1 37 37 SER H H 37 7.523 7.523 7.859 -0.336 18521 11851 1 13 . 1 1 38 38 GLU N N 38 123.219 123.219 121.696 1.523 18521 11852 1 13 . 1 1 38 38 GLU HA H 38 4.426 4.426 4.326 0.100 18521 11853 1 13 . 1 1 38 38 GLU C C 38 175.767 175.767 176.456 -0.689 18521 11854 1 13 . 1 1 38 38 GLU CA C 38 55.046 55.046 56.005 -0.959 18521 11855 1 13 . 1 1 38 38 GLU CB C 38 30.395 30.395 30.356 0.039 18521 11856 1 13 . 1 1 38 38 GLU H H 38 7.185 7.185 7.492 -0.307 18521 11857 1 13 . 1 1 39 39 GLU N N 39 126.955 126.955 123.705 3.250 18521 11858 1 13 . 1 1 39 39 GLU HA H 39 3.985 3.985 4.119 -0.134 18521 11859 1 13 . 1 1 39 39 GLU C C 39 176.861 176.861 176.095 0.766 18521 11860 1 13 . 1 1 39 39 GLU CA C 39 58.331 58.331 58.262 0.069 18521 11861 1 13 . 1 1 39 39 GLU CB C 39 30.008 30.008 29.864 0.144 18521 11862 1 13 . 1 1 39 39 GLU H H 39 8.632 8.632 8.562 0.070 18521 11863 1 13 . 1 1 40 40 ASP N N 40 119.763 119.763 120.553 -0.790 18521 11864 1 13 . 1 1 40 40 ASP HA H 40 4.616 4.616 4.718 -0.102 18521 11865 1 13 . 1 1 40 40 ASP C C 40 174.989 174.989 175.408 -0.419 18521 11866 1 13 . 1 1 40 40 ASP CA C 40 53.281 53.281 53.646 -0.365 18521 11867 1 13 . 1 1 40 40 ASP CB C 40 39.814 39.814 40.836 -1.022 18521 11868 1 13 . 1 1 40 40 ASP H H 40 8.560 8.560 8.146 0.414 18521 11869 1 13 . 1 1 41 41 ARG N N 41 119.595 119.595 123.289 -3.694 18521 11870 1 13 . 1 1 41 41 ARG HA H 41 4.390 4.390 4.525 -0.135 18521 11871 1 13 . 1 1 41 41 ARG C C 41 175.553 175.553 175.203 0.350 18521 11872 1 13 . 1 1 41 41 ARG CA C 41 54.707 54.707 55.284 -0.577 18521 11873 1 13 . 1 1 41 41 ARG CB C 41 31.865 31.865 33.212 -1.347 18521 11874 1 13 . 1 1 41 41 ARG H H 41 7.443 7.443 8.456 -1.013 18521 11875 1 13 . 1 1 42 42 SER N N 42 119.463 119.463 119.427 0.036 18521 11876 1 13 . 1 1 42 42 SER HA H 42 4.381 4.381 4.509 -0.128 18521 11877 1 13 . 1 1 42 42 SER C C 42 175.361 175.361 175.571 -0.210 18521 11878 1 13 . 1 1 42 42 SER CA C 42 57.137 57.137 57.867 -0.730 18521 11879 1 13 . 1 1 42 42 SER CB C 42 65.166 65.166 64.365 0.801 18521 11880 1 13 . 1 1 42 42 SER H H 42 8.556 8.556 8.571 -0.015 18521 11881 1 13 . 1 1 43 43 GLN N N 43 122.535 122.535 122.378 0.157 18521 11882 1 13 . 1 1 43 43 GLN HA H 43 4.018 4.018 3.911 0.107 18521 11883 1 13 . 1 1 43 43 GLN C C 43 178.768 178.768 178.221 0.547 18521 11884 1 13 . 1 1 43 43 GLN CA C 43 59.073 59.073 59.885 -0.812 18521 11885 1 13 . 1 1 43 43 GLN CB C 43 27.871 27.871 28.511 -0.640 18521 11886 1 13 . 1 1 43 43 GLN H H 43 9.087 9.087 8.969 0.118 18521 11887 1 13 . 1 1 44 44 GLU N N 44 120.308 120.308 119.713 0.595 18521 11888 1 13 . 1 1 44 44 GLU HA H 44 3.982 3.982 4.143 -0.161 18521 11889 1 13 . 1 1 44 44 GLU C C 44 179.737 179.737 178.874 0.863 18521 11890 1 13 . 1 1 44 44 GLU CA C 44 60.142 60.142 59.147 0.995 18521 11891 1 13 . 1 1 44 44 GLU CB C 44 28.801 28.801 29.136 -0.335 18521 11892 1 13 . 1 1 44 44 GLU H H 44 8.958 8.958 8.768 0.190 18521 11893 1 13 . 1 1 45 45 MET N N 45 120.968 120.968 118.007 2.961 18521 11894 1 13 . 1 1 45 45 MET HA H 45 4.432 4.432 4.214 0.218 18521 11895 1 13 . 1 1 45 45 MET C C 45 178.153 178.153 178.746 -0.593 18521 11896 1 13 . 1 1 45 45 MET CA C 45 57.117 57.117 58.976 -1.859 18521 11897 1 13 . 1 1 45 45 MET CB C 45 32.517 32.517 32.484 0.033 18521 11898 1 13 . 1 1 45 45 MET H H 45 7.740 7.740 7.950 -0.210 18521 11899 1 13 . 1 1 46 46 THR N N 46 120.159 120.159 116.504 3.655 18521 11900 1 13 . 1 1 46 46 THR HA H 46 3.620 3.620 3.928 -0.308 18521 11901 1 13 . 1 1 46 46 THR C C 46 176.389 176.389 176.156 0.233 18521 11902 1 13 . 1 1 46 46 THR CA C 46 67.416 67.416 67.469 -0.053 18521 11903 1 13 . 1 1 46 46 THR CB C 46 68.208 68.208 68.446 -0.238 18521 11904 1 13 . 1 1 46 46 THR H H 46 8.190 8.190 8.623 -0.433 18521 11905 1 13 . 1 1 47 47 ALA N N 47 124.729 124.729 123.742 0.987 18521 11906 1 13 . 1 1 47 47 ALA HA H 47 4.060 4.060 4.230 -0.170 18521 11907 1 13 . 1 1 47 47 ALA C C 47 179.554 179.554 179.270 0.284 18521 11908 1 13 . 1 1 47 47 ALA CA C 47 55.195 55.195 54.699 0.496 18521 11909 1 13 . 1 1 47 47 ALA CB C 47 17.654 17.654 18.276 -0.623 18521 11910 1 13 . 1 1 47 47 ALA H H 47 8.292 8.292 7.829 0.463 18521 11911 1 13 . 1 1 48 48 LEU N N 48 122.244 122.244 121.032 1.212 18521 11912 1 13 . 1 1 48 48 LEU HA H 48 4.195 4.195 4.070 0.125 18521 11913 1 13 . 1 1 48 48 LEU C C 48 178.022 178.022 178.527 -0.505 18521 11914 1 13 . 1 1 48 48 LEU CA C 48 57.695 57.695 57.553 0.142 18521 11915 1 13 . 1 1 48 48 LEU CB C 48 41.236 41.236 41.688 -0.452 18521 11916 1 13 . 1 1 48 48 LEU H H 48 7.723 7.723 7.998 -0.275 18521 11917 1 13 . 1 1 49 49 ALA N N 49 120.883 120.883 120.220 0.663 18521 11918 1 13 . 1 1 49 49 ALA HA H 49 3.854 3.854 3.910 -0.056 18521 11919 1 13 . 1 1 49 49 ALA C C 49 178.770 178.770 179.388 -0.618 18521 11920 1 13 . 1 1 49 49 ALA CA C 49 55.836 55.836 55.151 0.685 18521 11921 1 13 . 1 1 49 49 ALA CB C 49 17.137 17.137 18.181 -1.044 18521 11922 1 13 . 1 1 49 49 ALA H H 49 8.210 8.210 8.020 0.190 18521 11923 1 13 . 1 1 50 50 THR N N 50 113.676 113.676 114.809 -1.133 18521 11924 1 13 . 1 1 50 50 THR HA H 50 3.765 3.765 3.909 -0.144 18521 11925 1 13 . 1 1 50 50 THR C C 50 175.836 175.836 176.276 -0.440 18521 11926 1 13 . 1 1 50 50 THR CA C 50 66.975 66.975 67.619 -0.644 18521 11927 1 13 . 1 1 50 50 THR CB C 50 68.976 68.976 68.395 0.581 18521 11928 1 13 . 1 1 50 50 THR H H 50 7.891 7.891 7.615 0.276 18521 11929 1 13 . 1 1 51 51 GLU N N 51 123.445 123.445 122.576 0.869 18521 11930 1 13 . 1 1 51 51 GLU HA H 51 4.221 4.221 4.025 0.196 18521 11931 1 13 . 1 1 51 51 GLU C C 51 179.906 179.906 178.738 1.168 18521 11932 1 13 . 1 1 51 51 GLU CA C 51 59.436 59.436 59.292 0.144 18521 11933 1 13 . 1 1 51 51 GLU CB C 51 29.498 29.498 29.549 -0.051 18521 11934 1 13 . 1 1 51 51 GLU H H 51 7.877 7.877 7.893 -0.016 18521 11935 1 13 . 1 1 52 52 LEU N N 52 121.629 121.629 119.089 2.540 18521 11936 1 13 . 1 1 52 52 LEU HA H 52 3.907 3.907 4.032 -0.125 18521 11937 1 13 . 1 1 52 52 LEU C C 52 178.993 178.993 179.161 -0.168 18521 11938 1 13 . 1 1 52 52 LEU CA C 52 57.840 57.840 57.530 0.310 18521 11939 1 13 . 1 1 52 52 LEU CB C 52 42.076 42.076 41.793 0.283 18521 11940 1 13 . 1 1 52 52 LEU H H 52 8.670 8.670 7.533 1.137 18521 11941 1 13 . 1 1 53 53 LEU N N 53 119.996 119.996 120.039 -0.043 18521 11942 1 13 . 1 1 53 53 LEU HA H 53 3.949 3.949 3.783 0.166 18521 11943 1 13 . 1 1 53 53 LEU C C 53 179.950 179.950 179.018 0.932 18521 11944 1 13 . 1 1 53 53 LEU CA C 53 58.480 58.480 58.054 0.426 18521 11945 1 13 . 1 1 53 53 LEU CB C 53 41.341 41.341 41.057 0.284 18521 11946 1 13 . 1 1 53 53 LEU H H 53 8.336 8.336 7.495 0.841 18521 11947 1 13 . 1 1 54 54 ASP N N 54 120.632 120.632 118.984 1.648 18521 11948 1 13 . 1 1 54 54 ASP HA H 54 4.409 4.409 4.458 -0.049 18521 11949 1 13 . 1 1 54 54 ASP C C 54 179.383 179.383 178.857 0.526 18521 11950 1 13 . 1 1 54 54 ASP CA C 54 57.510 57.510 57.309 0.201 18521 11951 1 13 . 1 1 54 54 ASP CB C 54 40.275 40.275 40.047 0.228 18521 11952 1 13 . 1 1 54 54 ASP H H 54 7.884 7.884 7.835 0.049 18521 11953 1 13 . 1 1 55 55 THR N N 55 121.006 121.006 117.625 3.381 18521 11954 1 13 . 1 1 55 55 THR HA H 55 3.923 3.923 4.097 -0.174 18521 11955 1 13 . 1 1 55 55 THR C C 55 177.066 177.066 176.792 0.274 18521 11956 1 13 . 1 1 55 55 THR CA C 55 67.018 67.018 66.399 0.619 18521 11957 1 13 . 1 1 55 55 THR CB C 55 68.725 68.725 68.492 0.233 18521 11958 1 13 . 1 1 55 55 THR H H 55 8.279 8.279 7.540 0.739 18521 11959 1 13 . 1 1 56 56 ILE N N 56 125.465 125.465 122.723 2.742 18521 11960 1 13 . 1 1 56 56 ILE HA H 56 3.748 3.748 3.829 -0.081 18521 11961 1 13 . 1 1 56 56 ILE C C 56 177.879 177.879 178.101 -0.222 18521 11962 1 13 . 1 1 56 56 ILE CA C 56 65.765 65.765 65.963 -0.198 18521 11963 1 13 . 1 1 56 56 ILE CB C 56 38.646 38.646 37.735 0.911 18521 11964 1 13 . 1 1 56 56 ILE H H 56 8.872 8.872 8.524 0.348 18521 11965 1 13 . 1 1 57 57 GLU N N 57 119.951 119.951 119.578 0.373 18521 11966 1 13 . 1 1 57 57 GLU HA H 57 4.034 4.034 3.974 0.060 18521 11967 1 13 . 1 1 57 57 GLU C C 57 179.357 179.357 179.195 0.162 18521 11968 1 13 . 1 1 57 57 GLU CA C 57 59.241 59.241 59.811 -0.570 18521 11969 1 13 . 1 1 57 57 GLU CB C 57 29.226 29.226 29.392 -0.166 18521 11970 1 13 . 1 1 57 57 GLU H H 57 8.024 8.024 8.060 -0.036 18521 11971 1 13 . 1 1 58 58 ALA N N 58 122.402 122.402 122.765 -0.363 18521 11972 1 13 . 1 1 58 58 ALA HA H 58 4.044 4.044 4.157 -0.113 18521 11973 1 13 . 1 1 58 58 ALA C C 58 180.049 180.049 179.612 0.437 18521 11974 1 13 . 1 1 58 58 ALA CA C 58 55.167 55.167 55.027 0.140 18521 11975 1 13 . 1 1 58 58 ALA CB C 58 17.836 17.836 18.393 -0.557 18521 11976 1 13 . 1 1 58 58 ALA H H 58 8.026 8.026 8.248 -0.222 18521 11977 1 13 . 1 1 59 59 PHE N N 59 122.034 122.034 119.716 2.318 18521 11978 1 13 . 1 1 59 59 PHE HA H 59 4.165 4.165 4.114 0.051 18521 11979 1 13 . 1 1 59 59 PHE C C 59 177.169 177.169 177.165 0.004 18521 11980 1 13 . 1 1 59 59 PHE CA C 59 61.373 61.373 61.533 -0.160 18521 11981 1 13 . 1 1 59 59 PHE CB C 59 39.384 39.384 39.603 -0.219 18521 11982 1 13 . 1 1 59 59 PHE H H 59 8.243 8.243 8.823 -0.580 18521 11983 1 13 . 1 1 60 60 LYS N N 60 117.415 117.415 119.589 -2.174 18521 11984 1 13 . 1 1 60 60 LYS HA H 60 3.490 3.490 3.654 -0.164 18521 11985 1 13 . 1 1 60 60 LYS C C 60 179.705 179.705 178.407 1.298 18521 11986 1 13 . 1 1 60 60 LYS CA C 60 60.051 60.051 59.372 0.679 18521 11987 1 13 . 1 1 60 60 LYS CB C 60 32.376 32.376 32.455 -0.079 18521 11988 1 13 . 1 1 60 60 LYS H H 60 7.978 7.978 8.734 -0.756 18521 11989 1 13 . 1 1 61 61 LYS N N 61 119.540 119.540 118.457 1.083 18521 11990 1 13 . 1 1 61 61 LYS HA H 61 3.942 3.942 3.974 -0.032 18521 11991 1 13 . 1 1 61 61 LYS C C 61 178.728 178.728 178.995 -0.267 18521 11992 1 13 . 1 1 61 61 LYS CA C 61 58.878 58.878 59.416 -0.538 18521 11993 1 13 . 1 1 61 61 LYS CB C 61 32.626 32.626 32.349 0.277 18521 11994 1 13 . 1 1 61 61 LYS H H 61 7.853 7.853 8.096 -0.243 18521 11995 1 13 . 1 1 62 62 GLU N N 62 121.166 121.166 117.001 4.165 18521 11996 1 13 . 1 1 62 62 GLU HA H 62 3.933 3.933 4.046 -0.113 18521 11997 1 13 . 1 1 62 62 GLU C C 62 178.405 178.405 177.331 1.074 18521 11998 1 13 . 1 1 62 62 GLU CA C 62 58.655 58.655 58.426 0.229 18521 11999 1 13 . 1 1 62 62 GLU CB C 62 29.439 29.439 29.478 -0.039 18521 12000 1 13 . 1 1 62 62 GLU H H 62 7.956 7.956 7.618 0.338 18521 12001 1 13 . 1 1 63 63 ILE N N 63 117.896 117.896 116.286 1.610 18521 12002 1 13 . 1 1 63 63 ILE HA H 63 3.707 3.707 4.134 -0.427 18521 12003 1 13 . 1 1 63 63 ILE C C 63 177.438 177.438 176.740 0.698 18521 12004 1 13 . 1 1 63 63 ILE CA C 63 61.473 61.473 60.339 1.134 18521 12005 1 13 . 1 1 63 63 ILE CB C 63 36.546 36.546 38.735 -2.189 18521 12006 1 13 . 1 1 63 63 ILE H H 63 7.652 7.652 7.332 0.320 18521 12007 1 13 . 1 1 64 64 GLY N N 64 108.028 108.028 109.820 -1.792 18521 12008 1 13 . 1 1 64 64 GLY C C 64 175.261 175.261 175.044 0.217 18521 12009 1 13 . 1 1 64 64 GLY CA C 64 45.891 45.891 47.038 -1.147 18521 12010 1 13 . 1 1 64 64 GLY H H 64 7.654 7.654 8.253 -0.599 18521 12011 1 13 . 1 1 65 65 GLY N N 65 108.488 108.488 107.376 1.112 18521 12012 1 13 . 1 1 65 65 GLY C C 65 174.844 174.844 175.333 -0.489 18521 12013 1 13 . 1 1 65 65 GLY CA C 65 45.608 45.608 45.145 0.463 18521 12014 1 13 . 1 1 65 65 GLY H H 65 7.817 7.817 8.304 -0.487 18521 12015 1 13 . 1 1 66 66 GLU N N 66 121.078 121.078 118.879 2.199 18521 12016 1 13 . 1 1 66 66 GLU HA H 66 4.167 4.167 4.094 0.073 18521 12017 1 13 . 1 1 66 66 GLU C C 66 177.218 177.218 177.025 0.193 18521 12018 1 13 . 1 1 66 66 GLU CA C 66 57.075 57.075 58.643 -1.568 18521 12019 1 13 . 1 1 66 66 GLU CB C 66 30.015 30.015 29.854 0.161 18521 12020 1 13 . 1 1 66 66 GLU H H 66 8.195 8.195 8.590 -0.395 18521 12021 1 13 . 1 1 67 67 SER N N 67 116.370 116.370 110.957 5.413 18521 12022 1 13 . 1 1 67 67 SER HA H 67 4.187 4.187 4.440 -0.253 18521 12023 1 13 . 1 1 67 67 SER C C 67 174.670 174.670 175.246 -0.576 18521 12024 1 13 . 1 1 67 67 SER CA C 67 58.875 58.875 59.218 -0.343 18521 12025 1 13 . 1 1 67 67 SER CB C 67 63.783 63.783 63.336 0.447 18521 12026 1 13 . 1 1 67 67 SER H H 67 8.205 8.205 8.241 -0.036 18521 12027 1 13 . 1 1 68 68 GLU N N 68 122.388 122.388 122.448 -0.060 18521 12028 1 13 . 1 1 68 68 GLU HA H 68 4.173 4.173 4.139 0.034 18521 12029 1 13 . 1 1 68 68 GLU C C 68 176.364 176.364 177.958 -1.594 18521 12030 1 13 . 1 1 68 68 GLU CA C 68 56.734 56.734 59.081 -2.348 18521 12031 1 13 . 1 1 68 68 GLU CB C 68 29.986 29.986 29.329 0.656 18521 12032 1 13 . 1 1 68 68 GLU H H 68 8.170 8.170 8.752 -0.582 18521 12033 1 13 . 1 1 69 69 ALA N N 69 124.265 124.265 120.577 3.688 18521 12034 1 13 . 1 1 69 69 ALA HA H 69 4.212 4.212 4.367 -0.155 18521 12035 1 13 . 1 1 69 69 ALA C C 69 178.042 178.042 178.475 -0.433 18521 12036 1 13 . 1 1 69 69 ALA CA C 69 52.468 52.468 54.521 -2.053 18521 12037 1 13 . 1 1 69 69 ALA CB C 69 19.411 19.411 18.368 1.043 18521 12038 1 13 . 1 1 69 69 ALA H H 69 7.931 7.931 8.016 -0.085 18521 12039 1 13 . 1 1 70 70 GLU N N 70 121.086 121.086 117.692 3.394 18521 12040 1 13 . 1 1 70 70 GLU HA H 70 4.110 4.110 3.972 0.138 18521 12041 1 13 . 1 1 70 70 GLU C C 70 180.047 180.047 177.860 2.187 18521 12042 1 13 . 1 1 70 70 GLU CA C 70 57.325 57.325 58.560 -1.235 18521 12043 1 13 . 1 1 70 70 GLU CB C 70 29.969 29.969 29.595 0.374 18521 12044 1 13 . 1 1 70 70 GLU H H 70 8.447 8.447 7.688 0.759 18521 12045 1 13 . 1 1 71 71 ASP N N 71 120.210 120.210 117.649 2.561 18521 12046 1 13 . 1 1 71 71 ASP HA H 71 4.545 4.545 4.526 0.019 18521 12047 1 13 . 1 1 71 71 ASP C C 71 176.385 176.385 176.721 -0.336 18521 12048 1 13 . 1 1 71 71 ASP CA C 71 54.149 54.149 56.318 -2.169 18521 12049 1 13 . 1 1 71 71 ASP CB C 71 40.756 40.756 41.147 -0.391 18521 12050 1 13 . 1 1 71 71 ASP H H 71 8.308 8.308 7.585 0.723 18521 12051 1 13 . 1 1 72 72 SER N N 72 116.137 116.137 113.169 2.968 18521 12052 1 13 . 1 1 72 72 SER HA H 72 4.259 4.259 4.651 -0.392 18521 12053 1 13 . 1 1 72 72 SER C C 72 174.578 174.578 173.198 1.380 18521 12054 1 13 . 1 1 72 72 SER CA C 72 58.851 58.851 57.372 1.479 18521 12055 1 13 . 1 1 72 72 SER CB C 72 63.870 63.870 63.247 0.623 18521 12056 1 13 . 1 1 72 72 SER H H 72 7.954 7.954 7.640 0.314 18521 12057 1 13 . 1 1 73 73 ASP N N 73 122.500 122.500 125.162 -2.662 18521 12058 1 13 . 1 1 73 73 ASP HA H 73 4.534 4.534 4.723 -0.189 18521 12059 1 13 . 1 1 73 73 ASP C C 73 176.903 176.903 176.313 0.590 18521 12060 1 13 . 1 1 73 73 ASP CA C 73 54.442 54.442 54.209 0.234 18521 12061 1 13 . 1 1 73 73 ASP CB C 73 41.253 41.253 40.124 1.129 18521 12062 1 13 . 1 1 73 73 ASP H H 73 8.384 8.384 8.838 -0.454 18521 12063 1 13 . 1 1 74 74 LYS N N 74 123.374 123.374 119.783 3.591 18521 12064 1 13 . 1 1 74 74 LYS HA H 74 4.099 4.099 4.342 -0.243 18521 12065 1 13 . 1 1 74 74 LYS C C 74 177.606 177.606 178.359 -0.753 18521 12066 1 13 . 1 1 74 74 LYS CA C 74 57.527 57.527 58.127 -0.599 18521 12067 1 13 . 1 1 74 74 LYS CB C 74 32.115 32.115 33.186 -1.071 18521 12068 1 13 . 1 1 74 74 LYS H H 74 8.338 8.338 7.505 0.833 18521 12069 1 13 . 1 1 75 75 SER N N 75 116.404 116.404 114.894 1.510 18521 12070 1 13 . 1 1 75 75 SER HA H 75 4.190 4.190 4.298 -0.108 18521 12071 1 13 . 1 1 75 75 SER C C 75 176.030 176.030 176.453 -0.423 18521 12072 1 13 . 1 1 75 75 SER CA C 75 60.560 60.560 61.024 -0.464 18521 12073 1 13 . 1 1 75 75 SER CB C 75 62.971 62.971 63.064 -0.093 18521 12074 1 13 . 1 1 75 75 SER H H 75 8.409 8.409 8.130 0.279 18521 12075 1 13 . 1 1 76 76 LEU N N 76 123.753 123.753 122.165 1.588 18521 12076 1 13 . 1 1 76 76 LEU HA H 76 4.121 4.121 4.101 0.020 18521 12077 1 13 . 1 1 76 76 LEU C C 76 178.263 178.263 177.484 0.779 18521 12078 1 13 . 1 1 76 76 LEU CA C 76 56.665 56.665 57.407 -0.742 18521 12079 1 13 . 1 1 76 76 LEU CB C 76 41.538 41.538 41.693 -0.155 18521 12080 1 13 . 1 1 76 76 LEU H H 76 8.068 8.068 7.897 0.171 18521 12081 1 13 . 1 1 77 77 HIS N N 77 120.235 120.235 118.251 1.984 18521 12082 1 13 . 1 1 77 77 HIS HA H 77 4.372 4.372 4.147 0.225 18521 12083 1 13 . 1 1 77 77 HIS C C 77 177.974 177.974 177.283 0.691 18521 12084 1 13 . 1 1 77 77 HIS CA C 77 58.504 58.504 59.911 -1.407 18521 12085 1 13 . 1 1 77 77 HIS CB C 77 30.124 30.124 29.485 0.639 18521 12086 1 13 . 1 1 77 77 HIS H H 77 7.955 7.955 8.223 -0.268 18521 12087 1 13 . 1 1 78 78 VAL N N 78 121.721 121.721 119.952 1.769 18521 12088 1 13 . 1 1 78 78 VAL HA H 78 3.612 3.612 3.581 0.031 18521 12089 1 13 . 1 1 78 78 VAL C C 78 177.688 177.688 177.587 0.101 18521 12090 1 13 . 1 1 78 78 VAL CA C 78 65.817 65.817 65.735 0.082 18521 12091 1 13 . 1 1 78 78 VAL CB C 78 31.729 31.729 31.839 -0.110 18521 12092 1 13 . 1 1 78 78 VAL H H 78 7.953 7.953 7.543 0.410 18521 12093 1 13 . 1 1 79 79 MET N N 79 119.138 119.138 118.711 0.427 18521 12094 1 13 . 1 1 79 79 MET HA H 79 3.879 3.879 3.978 -0.099 18521 12095 1 13 . 1 1 79 79 MET C C 79 180.609 180.609 177.828 2.781 18521 12096 1 13 . 1 1 79 79 MET CA C 79 59.210 59.210 58.991 0.219 18521 12097 1 13 . 1 1 79 79 MET CB C 79 34.157 34.157 32.364 1.793 18521 12098 1 13 . 1 1 79 79 MET H H 79 8.132 8.132 8.059 0.073 18521 12099 1 13 . 1 1 80 80 ASN N N 80 117.000 117.000 117.358 -0.358 18521 12100 1 13 . 1 1 80 80 ASN HA H 80 4.161 4.161 4.529 -0.368 18521 12101 1 13 . 1 1 80 80 ASN C C 80 178.212 178.212 177.040 1.172 18521 12102 1 13 . 1 1 80 80 ASN CA C 80 56.827 56.827 56.801 0.026 18521 12103 1 13 . 1 1 80 80 ASN CB C 80 38.920 38.920 37.849 1.071 18521 12104 1 13 . 1 1 80 80 ASN H H 80 8.195 8.195 8.466 -0.271 18521 12105 1 13 . 1 1 81 81 THR N N 81 116.021 116.021 117.317 -1.296 18521 12106 1 13 . 1 1 81 81 THR HA H 81 3.975 3.975 3.990 -0.015 18521 12107 1 13 . 1 1 81 81 THR C C 81 175.237 175.237 176.569 -1.332 18521 12108 1 13 . 1 1 81 81 THR CA C 81 66.507 66.507 66.138 0.369 18521 12109 1 13 . 1 1 81 81 THR CB C 81 68.813 68.813 68.592 0.221 18521 12110 1 13 . 1 1 81 81 THR H H 81 7.952 7.952 7.897 0.055 18521 12111 1 13 . 1 1 82 82 LEU N N 82 119.041 119.041 121.014 -1.973 18521 12112 1 13 . 1 1 82 82 LEU HA H 82 4.040 4.040 4.044 -0.004 18521 12113 1 13 . 1 1 82 82 LEU C C 82 177.541 177.541 178.829 -1.288 18521 12114 1 13 . 1 1 82 82 LEU CA C 82 56.468 56.468 58.154 -1.686 18521 12115 1 13 . 1 1 82 82 LEU CB C 82 42.247 42.247 41.600 0.647 18521 12116 1 13 . 1 1 82 82 LEU H H 82 7.655 7.655 7.657 -0.002 18521 12117 1 13 . 1 1 83 83 ILE N N 83 118.063 118.063 116.231 1.832 18521 12118 1 13 . 1 1 83 83 ILE HA H 83 3.805 3.805 3.894 -0.089 18521 12119 1 13 . 1 1 83 83 ILE C C 83 176.681 176.681 177.537 -0.856 18521 12120 1 13 . 1 1 83 83 ILE CA C 83 63.188 63.188 64.058 -0.870 18521 12121 1 13 . 1 1 83 83 ILE CB C 83 37.939 37.939 38.194 -0.255 18521 12122 1 13 . 1 1 83 83 ILE H H 83 7.455 7.455 7.214 0.241 18521 12123 1 13 . 1 1 84 84 HIS N N 84 116.118 116.118 115.231 0.887 18521 12124 1 13 . 1 1 84 84 HIS HA H 84 4.568 4.568 4.462 0.106 18521 12125 1 13 . 1 1 84 84 HIS C C 84 175.568 175.568 175.604 -0.036 18521 12126 1 13 . 1 1 84 84 HIS CA C 84 58.425 58.425 58.844 -0.419 18521 12127 1 13 . 1 1 84 84 HIS CB C 84 31.801 31.801 30.876 0.925 18521 12128 1 13 . 1 1 84 84 HIS H H 84 7.168 7.168 8.535 -1.367 18521 12129 1 13 . 1 1 85 85 ASP N N 85 122.411 122.411 119.583 2.828 18521 12130 1 13 . 1 1 85 85 ASP HA H 85 4.546 4.546 4.754 -0.208 18521 12131 1 13 . 1 1 85 85 ASP C C 85 175.527 175.527 176.496 -0.969 18521 12132 1 13 . 1 1 85 85 ASP CA C 85 53.215 53.215 53.143 0.072 18521 12133 1 13 . 1 1 85 85 ASP CB C 85 40.936 40.936 40.761 0.175 18521 12134 1 13 . 1 1 85 85 ASP H H 85 8.576 8.576 7.993 0.583 18521 12135 1 13 . 1 1 86 86 GLN N N 86 122.561 122.561 126.619 -4.058 18521 12136 1 13 . 1 1 86 86 GLN HA H 86 4.077 4.077 4.216 -0.139 18521 12137 1 13 . 1 1 86 86 GLN C C 86 178.518 178.518 177.892 0.626 18521 12138 1 13 . 1 1 86 86 GLN CA C 86 57.816 57.816 58.694 -0.878 18521 12139 1 13 . 1 1 86 86 GLN CB C 86 29.165 29.165 28.937 0.228 18521 12140 1 13 . 1 1 86 86 GLN H H 86 8.715 8.715 8.488 0.227 18521 12141 1 13 . 1 1 87 87 GLU N N 87 121.616 121.616 120.263 1.353 18521 12142 1 13 . 1 1 87 87 GLU HA H 87 4.042 4.042 3.654 0.388 18521 12143 1 13 . 1 1 87 87 GLU C C 87 178.154 178.154 178.134 0.020 18521 12144 1 13 . 1 1 87 87 GLU CA C 87 59.051 59.051 59.612 -0.561 18521 12145 1 13 . 1 1 87 87 GLU CB C 87 29.231 29.231 29.093 0.138 18521 12146 1 13 . 1 1 87 87 GLU H H 87 8.073 8.073 7.888 0.185 18521 12147 1 13 . 1 1 88 88 LYS N N 88 119.006 119.006 119.201 -0.195 18521 12148 1 13 . 1 1 88 88 LYS HA H 88 3.754 3.754 4.041 -0.287 18521 12149 1 13 . 1 1 88 88 LYS C C 88 177.129 177.129 178.609 -1.480 18521 12150 1 13 . 1 1 88 88 LYS CA C 88 59.721 59.721 59.159 0.562 18521 12151 1 13 . 1 1 88 88 LYS CB C 88 32.253 32.253 32.235 0.018 18521 12152 1 13 . 1 1 88 88 LYS H H 88 7.525 7.525 8.343 -0.818 18521 12153 1 13 . 1 1 89 89 ALA N N 89 121.945 121.945 121.507 0.438 18521 12154 1 13 . 1 1 89 89 ALA HA H 89 3.734 3.734 4.027 -0.293 18521 12155 1 13 . 1 1 89 89 ALA C C 89 177.545 177.545 179.010 -1.465 18521 12156 1 13 . 1 1 89 89 ALA CA C 89 55.977 55.977 55.169 0.809 18521 12157 1 13 . 1 1 89 89 ALA CB C 89 18.763 18.763 18.013 0.750 18521 12158 1 13 . 1 1 89 89 ALA H H 89 8.472 8.472 7.928 0.544 18521 12159 1 13 . 1 1 90 90 LYS N N 90 117.743 117.743 118.973 -1.230 18521 12160 1 13 . 1 1 90 90 LYS HA H 90 4.015 4.015 2.702 1.313 18521 12161 1 13 . 1 1 90 90 LYS C C 90 177.667 177.667 178.481 -0.814 18521 12162 1 13 . 1 1 90 90 LYS CA C 90 58.703 58.703 58.740 -0.037 18521 12163 1 13 . 1 1 90 90 LYS CB C 90 32.779 32.779 31.408 1.371 18521 12164 1 13 . 1 1 90 90 LYS H H 90 6.684 6.684 7.533 -0.849 18521 12165 1 13 . 1 1 91 91 ILE N N 91 117.216 117.216 118.926 -1.710 18521 12166 1 13 . 1 1 91 91 ILE HA H 91 3.414 3.414 3.595 -0.181 18521 12167 1 13 . 1 1 91 91 ILE C C 91 178.422 178.422 177.889 0.533 18521 12168 1 13 . 1 1 91 91 ILE CA C 91 64.094 64.094 65.146 -1.052 18521 12169 1 13 . 1 1 91 91 ILE CB C 91 37.481 37.481 37.869 -0.388 18521 12170 1 13 . 1 1 91 91 ILE H H 91 7.196 7.196 7.282 -0.086 18521 12171 1 13 . 1 1 92 92 TYR N N 92 122.201 122.201 120.502 1.699 18521 12172 1 13 . 1 1 92 92 TYR HA H 92 4.047 4.047 4.061 -0.014 18521 12173 1 13 . 1 1 92 92 TYR C C 92 177.726 177.726 177.579 0.147 18521 12174 1 13 . 1 1 92 92 TYR CA C 92 61.771 61.771 62.002 -0.231 18521 12175 1 13 . 1 1 92 92 TYR CB C 92 39.295 39.295 38.611 0.683 18521 12176 1 13 . 1 1 92 92 TYR H H 92 8.466 8.466 7.651 0.815 18521 12177 1 13 . 1 1 93 93 MET N N 93 117.420 117.420 119.791 -2.371 18521 12178 1 13 . 1 1 93 93 MET HA H 93 3.896 3.896 4.055 -0.159 18521 12179 1 13 . 1 1 93 93 MET C C 93 180.221 180.221 177.747 2.474 18521 12180 1 13 . 1 1 93 93 MET CA C 93 57.586 57.586 58.272 -0.686 18521 12181 1 13 . 1 1 93 93 MET CB C 93 30.854 30.854 32.287 -1.433 18521 12182 1 13 . 1 1 93 93 MET H H 93 8.269 8.269 8.813 -0.544 18521 12183 1 13 . 1 1 94 94 LEU N N 94 125.183 125.183 120.218 4.965 18521 12184 1 13 . 1 1 94 94 LEU HA H 94 3.826 3.826 3.873 -0.047 18521 12185 1 13 . 1 1 94 94 LEU C C 94 177.787 177.787 178.227 -0.440 18521 12186 1 13 . 1 1 94 94 LEU CA C 94 58.729 58.729 58.560 0.168 18521 12187 1 13 . 1 1 94 94 LEU CB C 94 42.188 42.188 41.448 0.740 18521 12188 1 13 . 1 1 94 94 LEU H H 94 8.733 8.733 8.167 0.566 18521 12189 1 13 . 1 1 95 95 ASN N N 95 121.517 121.517 118.054 3.463 18521 12190 1 13 . 1 1 95 95 ASN HA H 95 4.184 4.184 4.305 -0.121 18521 12191 1 13 . 1 1 95 95 ASN C C 95 178.481 178.481 177.405 1.076 18521 12192 1 13 . 1 1 95 95 ASN CA C 95 56.312 56.312 56.293 0.019 18521 12193 1 13 . 1 1 95 95 ASN H H 95 8.951 8.951 7.838 1.113 18521 12194 1 13 . 1 1 96 96 PHE N N 96 122.778 122.778 120.429 2.349 18521 12195 1 13 . 1 1 96 96 PHE HA H 96 4.341 4.341 4.235 0.106 18521 12196 1 13 . 1 1 96 96 PHE C C 96 177.925 177.925 177.516 0.409 18521 12197 1 13 . 1 1 96 96 PHE CA C 96 62.427 62.427 61.909 0.518 18521 12198 1 13 . 1 1 96 96 PHE H H 96 8.454 8.454 8.181 0.273 18521 12199 1 13 . 1 1 97 97 THR N N 97 117.115 117.115 116.959 0.156 18521 12200 1 13 . 1 1 97 97 THR HA H 97 3.369 3.369 3.779 -0.410 18521 12201 1 13 . 1 1 97 97 THR C C 97 176.185 176.185 176.439 -0.254 18521 12202 1 13 . 1 1 97 97 THR CA C 97 68.090 68.090 67.419 0.671 18521 12203 1 13 . 1 1 97 97 THR CB C 97 68.087 68.087 68.564 -0.477 18521 12204 1 13 . 1 1 97 97 THR H H 97 8.209 8.209 8.698 -0.489 18521 12205 1 13 . 1 1 98 98 MET N N 98 119.373 119.373 120.346 -0.973 18521 12206 1 13 . 1 1 98 98 MET HA H 98 4.360 4.360 4.268 0.092 18521 12207 1 13 . 1 1 98 98 MET C C 98 177.887 177.887 178.168 -0.281 18521 12208 1 13 . 1 1 98 98 MET CA C 98 58.143 58.143 57.078 1.065 18521 12209 1 13 . 1 1 98 98 MET CB C 98 31.948 31.948 31.270 0.678 18521 12210 1 13 . 1 1 98 98 MET H H 98 8.958 8.958 8.722 0.236 18521 12211 1 13 . 1 1 99 99 SER N N 99 114.517 114.517 116.488 -1.971 18521 12212 1 13 . 1 1 99 99 SER HA H 99 4.043 4.043 4.071 -0.028 18521 12213 1 13 . 1 1 99 99 SER C C 99 176.195 176.195 176.616 -0.421 18521 12214 1 13 . 1 1 99 99 SER CA C 99 62.481 62.481 61.583 0.898 18521 12215 1 13 . 1 1 99 99 SER CB C 99 62.692 62.692 62.845 -0.153 18521 12216 1 13 . 1 1 99 99 SER H H 99 7.708 7.708 8.534 -0.826 18521 12217 1 13 . 1 1 100 100 LEU N N 100 125.126 125.126 123.160 1.966 18521 12218 1 13 . 1 1 100 100 LEU HA H 100 3.913 3.913 3.999 -0.086 18521 12219 1 13 . 1 1 100 100 LEU C C 100 177.327 177.327 178.008 -0.681 18521 12220 1 13 . 1 1 100 100 LEU CA C 100 58.005 58.005 57.357 0.648 18521 12221 1 13 . 1 1 100 100 LEU CB C 100 41.841 41.841 41.563 0.278 18521 12222 1 13 . 1 1 100 100 LEU H H 100 7.277 7.277 7.502 -0.225 18521 12223 1 13 . 1 1 101 101 TYR N N 101 120.940 120.940 119.715 1.225 18521 12224 1 13 . 1 1 101 101 TYR HA H 101 4.143 4.143 4.161 -0.018 18521 12225 1 13 . 1 1 101 101 TYR C C 101 176.784 176.784 177.270 -0.486 18521 12226 1 13 . 1 1 101 101 TYR CA C 101 61.543 61.543 60.846 0.697 18521 12227 1 13 . 1 1 101 101 TYR CB C 101 40.909 40.909 38.259 2.650 18521 12228 1 13 . 1 1 101 101 TYR H H 101 8.858 8.858 8.663 0.195 18521 12229 1 13 . 1 1 102 102 ASN N N 102 119.067 119.067 117.305 1.762 18521 12230 1 13 . 1 1 102 102 ASN HA H 102 4.116 4.116 4.113 0.003 18521 12231 1 13 . 1 1 102 102 ASN C C 102 178.713 178.713 177.395 1.318 18521 12232 1 13 . 1 1 102 102 ASN CA C 102 55.734 55.734 56.079 -0.345 18521 12233 1 13 . 1 1 102 102 ASN H H 102 8.700 8.700 8.788 -0.088 18521 12234 1 13 . 1 1 103 103 GLU N N 103 119.558 119.558 119.677 -0.119 18521 12235 1 13 . 1 1 103 103 GLU HA H 103 3.944 3.944 3.897 0.047 18521 12236 1 13 . 1 1 103 103 GLU C C 103 179.012 179.012 178.926 0.086 18521 12237 1 13 . 1 1 103 103 GLU CA C 103 59.506 59.506 59.484 0.022 18521 12238 1 13 . 1 1 103 103 GLU CB C 103 29.349 29.349 29.430 -0.081 18521 12239 1 13 . 1 1 103 103 GLU H H 103 7.599 7.599 7.647 -0.048 18521 12240 1 13 . 1 1 104 104 LYS N N 104 120.218 120.218 119.064 1.154 18521 12241 1 13 . 1 1 104 104 LYS HA H 104 4.051 4.051 4.012 0.039 18521 12242 1 13 . 1 1 104 104 LYS C C 104 178.477 178.477 178.856 -0.379 18521 12243 1 13 . 1 1 104 104 LYS CA C 104 56.534 56.534 58.530 -1.996 18521 12244 1 13 . 1 1 104 104 LYS CB C 104 29.108 29.108 32.124 -3.016 18521 12245 1 13 . 1 1 104 104 LYS H H 104 8.311 8.311 7.391 0.920 18521 12246 1 13 . 1 1 105 105 LEU N N 105 122.110 122.110 119.308 2.802 18521 12247 1 13 . 1 1 105 105 LEU HA H 105 3.774 3.774 3.860 -0.086 18521 12248 1 13 . 1 1 105 105 LEU C C 105 180.224 180.224 178.667 1.557 18521 12249 1 13 . 1 1 105 105 LEU CA C 105 58.148 58.148 57.683 0.465 18521 12250 1 13 . 1 1 105 105 LEU CB C 105 42.394 42.394 41.169 1.225 18521 12251 1 13 . 1 1 105 105 LEU H H 105 8.604 8.604 7.934 0.670 18521 12252 1 13 . 1 1 106 106 LYS N N 106 119.031 119.031 119.440 -0.409 18521 12253 1 13 . 1 1 106 106 LYS HA H 106 4.035 4.035 3.776 0.259 18521 12254 1 13 . 1 1 106 106 LYS C C 106 178.496 178.496 178.850 -0.354 18521 12255 1 13 . 1 1 106 106 LYS CA C 106 59.820 59.820 59.482 0.338 18521 12256 1 13 . 1 1 106 106 LYS CB C 106 31.956 31.956 32.145 -0.190 18521 12257 1 13 . 1 1 106 106 LYS H H 106 7.339 7.339 7.941 -0.602 18521 12258 1 13 . 1 1 107 107 GLN N N 107 121.417 121.417 118.536 2.881 18521 12259 1 13 . 1 1 107 107 GLN HA H 107 3.744 3.744 3.842 -0.098 18521 12260 1 13 . 1 1 107 107 GLN C C 107 178.103 178.103 178.707 -0.604 18521 12261 1 13 . 1 1 107 107 GLN CA C 107 58.582 58.582 58.468 0.114 18521 12262 1 13 . 1 1 107 107 GLN CB C 107 26.969 26.969 28.117 -1.148 18521 12263 1 13 . 1 1 107 107 GLN H H 107 7.590 7.590 7.607 -0.017 18521 12264 1 13 . 1 1 108 108 LEU N N 108 120.629 120.629 117.473 3.156 18521 12265 1 13 . 1 1 108 108 LEU HA H 108 3.806 3.806 4.491 -0.685 18521 12266 1 13 . 1 1 108 108 LEU C C 108 178.978 178.978 178.485 0.493 18521 12267 1 13 . 1 1 108 108 LEU CA C 108 58.306 58.306 57.500 0.806 18521 12268 1 13 . 1 1 108 108 LEU CB C 108 42.112 42.112 41.816 0.296 18521 12269 1 13 . 1 1 108 108 LEU H H 108 8.450 8.450 7.328 1.122 18521 12270 1 13 . 1 1 109 109 LYS N N 109 119.584 119.584 117.508 2.076 18521 12271 1 13 . 1 1 109 109 LYS HA H 109 4.166 4.166 4.084 0.082 18521 12272 1 13 . 1 1 109 109 LYS C C 109 177.859 177.859 177.089 0.770 18521 12273 1 13 . 1 1 109 109 LYS CA C 109 58.746 58.746 58.695 0.051 18521 12274 1 13 . 1 1 109 109 LYS CB C 109 32.637 32.637 32.733 -0.096 18521 12275 1 13 . 1 1 109 109 LYS H H 109 7.295 7.295 7.674 -0.379 18521 12276 1 13 . 1 1 110 110 ASP N N 110 116.950 116.950 113.378 3.572 18521 12277 1 13 . 1 1 110 110 ASP HA H 110 4.604 4.604 4.971 -0.367 18521 12278 1 13 . 1 1 110 110 ASP C C 110 177.157 177.157 174.863 2.294 18521 12279 1 13 . 1 1 110 110 ASP CA C 110 55.768 55.768 54.385 1.383 18521 12280 1 13 . 1 1 110 110 ASP CB C 110 42.724 42.724 43.278 -0.554 18521 12281 1 13 . 1 1 110 110 ASP H H 110 7.807 7.807 7.652 0.155 18521 12282 1 13 . 1 1 111 111 GLY N N 111 114.046 114.046 110.193 3.853 18521 12283 1 13 . 1 1 111 111 GLY CA C 111 41.845 41.845 44.255 -2.410 18521 12284 1 13 . 1 1 111 111 GLY H H 111 8.554 8.554 7.351 1.203 18521 12285 1 13 . 1 1 112 112 PRO HA H 112 4.552 4.552 4.013 0.539 18521 12286 1 13 . 1 1 112 112 PRO C C 112 174.967 174.967 175.677 -0.710 18521 12287 1 13 . 1 1 112 112 PRO CA C 112 61.222 61.222 62.816 -1.594 18521 12288 1 13 . 1 1 112 112 PRO CB C 112 35.056 35.056 32.274 2.782 18521 12289 1 13 . 1 1 113 113 TRP N N 113 123.139 123.139 122.740 0.399 18521 12290 1 13 . 1 1 113 113 TRP HA H 113 4.650 4.650 4.809 -0.159 18521 12291 1 13 . 1 1 113 113 TRP C C 113 174.604 174.604 175.285 -0.681 18521 12292 1 13 . 1 1 113 113 TRP CA C 113 58.154 58.154 56.688 1.466 18521 12293 1 13 . 1 1 113 113 TRP CB C 113 27.048 27.048 31.197 -4.149 18521 12294 1 13 . 1 1 113 113 TRP H H 113 8.671 8.671 8.545 0.126 18521 12295 1 13 . 1 1 114 114 ASP N N 114 121.440 121.440 119.235 2.205 18521 12296 1 13 . 1 1 114 114 ASP HA H 114 4.930 4.930 4.829 0.101 18521 12297 1 13 . 1 1 114 114 ASP C C 114 176.979 176.979 176.131 0.848 18521 12298 1 13 . 1 1 114 114 ASP CA C 114 52.223 52.223 52.671 -0.448 18521 12299 1 13 . 1 1 114 114 ASP CB C 114 43.192 43.192 42.091 1.101 18521 12300 1 13 . 1 1 114 114 ASP H H 114 6.950 6.950 8.123 -1.173 18521 12301 1 13 . 1 1 115 115 VAL N N 115 118.386 118.386 119.805 -1.419 18521 12302 1 13 . 1 1 115 115 VAL HA H 115 3.825 3.825 3.714 0.111 18521 12303 1 13 . 1 1 115 115 VAL C C 115 177.760 177.760 177.942 -0.182 18521 12304 1 13 . 1 1 115 115 VAL CA C 115 65.611 65.611 65.867 -0.256 18521 12305 1 13 . 1 1 115 115 VAL CB C 115 31.657 31.657 32.174 -0.517 18521 12306 1 13 . 1 1 115 115 VAL H H 115 8.181 8.181 8.293 -0.112 18521 12307 1 13 . 1 1 116 116 MET N N 116 120.354 120.354 119.117 1.237 18521 12308 1 13 . 1 1 116 116 MET HA H 116 4.284 4.284 4.150 0.134 18521 12309 1 13 . 1 1 116 116 MET C C 116 179.336 179.336 178.103 1.233 18521 12310 1 13 . 1 1 116 116 MET CA C 116 57.392 57.392 58.738 -1.346 18521 12311 1 13 . 1 1 116 116 MET CB C 116 30.450 30.450 32.287 -1.837 18521 12312 1 13 . 1 1 116 116 MET H H 116 7.661 7.661 7.960 -0.299 18521 12313 1 13 . 1 1 117 117 LEU N N 117 125.774 125.774 120.254 5.520 18521 12314 1 13 . 1 1 117 117 LEU HA H 117 4.129 4.129 3.973 0.156 18521 12315 1 13 . 1 1 117 117 LEU C C 117 178.399 178.399 177.979 0.420 18521 12316 1 13 . 1 1 117 117 LEU CA C 117 58.353 58.353 58.845 -0.492 18521 12317 1 13 . 1 1 117 117 LEU CB C 117 40.392 40.392 41.670 -1.278 18521 12318 1 13 . 1 1 117 117 LEU H H 117 8.179 8.179 8.927 -0.748 18521 12319 1 13 . 1 1 118 118 LYS N N 118 118.471 118.471 118.855 -0.384 18521 12320 1 13 . 1 1 118 118 LYS HA H 118 3.824 3.824 3.962 -0.138 18521 12321 1 13 . 1 1 118 118 LYS C C 118 178.259 178.259 179.091 -0.832 18521 12322 1 13 . 1 1 118 118 LYS CA C 118 60.497 60.497 60.041 0.456 18521 12323 1 13 . 1 1 118 118 LYS CB C 118 32.355 32.355 32.299 0.056 18521 12324 1 13 . 1 1 118 118 LYS H H 118 7.359 7.359 7.494 -0.135 18521 12325 1 13 . 1 1 119 119 ARG N N 119 117.838 117.838 118.582 -0.744 18521 12326 1 13 . 1 1 119 119 ARG HA H 119 4.158 4.158 4.280 -0.122 18521 12327 1 13 . 1 1 119 119 ARG C C 119 180.132 180.132 179.237 0.895 18521 12328 1 13 . 1 1 119 119 ARG CA C 119 59.535 59.535 59.437 0.098 18521 12329 1 13 . 1 1 119 119 ARG CB C 119 29.994 29.994 30.340 -0.346 18521 12330 1 13 . 1 1 119 119 ARG H H 119 8.316 8.316 8.013 0.303 18521 12331 1 13 . 1 1 120 120 SER N N 120 117.258 117.258 116.757 0.501 18521 12332 1 13 . 1 1 120 120 SER HA H 120 4.374 4.374 4.317 0.057 18521 12333 1 13 . 1 1 120 120 SER C C 120 176.034 176.034 176.714 -0.680 18521 12334 1 13 . 1 1 120 120 SER CA C 120 62.728 62.728 61.850 0.878 18521 12335 1 13 . 1 1 120 120 SER CB C 120 63.050 63.050 62.558 0.492 18521 12336 1 13 . 1 1 120 120 SER H H 120 8.598 8.598 8.173 0.425 18521 12337 1 13 . 1 1 121 121 LEU N N 121 125.307 125.307 122.262 3.045 18521 12338 1 13 . 1 1 121 121 LEU HA H 121 4.192 4.192 4.166 0.026 18521 12339 1 13 . 1 1 121 121 LEU C C 121 179.621 179.621 178.832 0.789 18521 12340 1 13 . 1 1 121 121 LEU CA C 121 58.894 58.894 57.952 0.942 18521 12341 1 13 . 1 1 121 121 LEU CB C 121 41.188 41.188 41.665 -0.477 18521 12342 1 13 . 1 1 121 121 LEU H H 121 8.250 8.250 8.316 -0.066 18521 12343 1 13 . 1 1 122 122 TRP N N 122 120.444 120.444 119.104 1.340 18521 12344 1 13 . 1 1 122 122 TRP HA H 122 4.368 4.368 4.348 0.020 18521 12345 1 13 . 1 1 122 122 TRP C C 122 176.943 176.943 178.637 -1.694 18521 12346 1 13 . 1 1 122 122 TRP CA C 122 61.452 61.452 61.545 -0.093 18521 12347 1 13 . 1 1 122 122 TRP CB C 122 29.823 29.823 29.145 0.677 18521 12348 1 13 . 1 1 122 122 TRP H H 122 7.873 7.873 7.738 0.135 18521 12349 1 13 . 1 1 123 123 CYS N N 123 120.188 120.188 119.556 0.632 18521 12350 1 13 . 1 1 123 123 CYS HA H 123 4.264 4.264 4.217 0.047 18521 12351 1 13 . 1 1 123 123 CYS C C 123 176.875 176.875 177.095 -0.220 18521 12352 1 13 . 1 1 123 123 CYS CA C 123 60.573 60.573 63.085 -2.512 18521 12353 1 13 . 1 1 123 123 CYS CB C 123 25.642 25.642 27.185 -1.543 18521 12354 1 13 . 1 1 123 123 CYS H H 123 8.271 8.271 7.993 0.278 18521 12355 1 13 . 1 1 124 124 CYS N N 124 116.760 116.760 119.259 -2.499 18521 12356 1 13 . 1 1 124 124 CYS HA H 124 3.880 3.880 4.149 -0.269 18521 12357 1 13 . 1 1 124 124 CYS C C 124 175.810 175.810 176.936 -1.126 18521 12358 1 13 . 1 1 124 124 CYS CA C 124 65.646 65.646 63.658 1.988 18521 12359 1 13 . 1 1 124 124 CYS CB C 124 28.069 28.069 26.773 1.296 18521 12360 1 13 . 1 1 124 124 CYS H H 124 8.208 8.208 8.036 0.172 18521 12361 1 13 . 1 1 125 125 ILE N N 125 121.167 121.167 121.759 -0.592 18521 12362 1 13 . 1 1 125 125 ILE HA H 125 3.580 3.580 3.813 -0.233 18521 12363 1 13 . 1 1 125 125 ILE C C 125 179.302 179.302 177.615 1.687 18521 12364 1 13 . 1 1 125 125 ILE CA C 125 67.663 67.663 66.009 1.654 18521 12365 1 13 . 1 1 125 125 ILE CB C 125 37.988 37.988 37.462 0.526 18521 12366 1 13 . 1 1 125 125 ILE H H 125 8.073 8.073 7.874 0.199 18521 12367 1 13 . 1 1 126 126 ASP N N 126 124.812 124.812 120.268 4.544 18521 12368 1 13 . 1 1 126 126 ASP HA H 126 4.622 4.622 4.517 0.105 18521 12369 1 13 . 1 1 126 126 ASP C C 126 178.091 178.091 179.090 -0.999 18521 12370 1 13 . 1 1 126 126 ASP CA C 126 58.885 58.885 57.525 1.360 18521 12371 1 13 . 1 1 126 126 ASP CB C 126 40.408 40.408 40.363 0.045 18521 12372 1 13 . 1 1 126 126 ASP H H 126 8.778 8.778 7.836 0.942 18521 12373 1 13 . 1 1 127 127 LEU N N 127 122.531 122.531 119.842 2.689 18521 12374 1 13 . 1 1 127 127 LEU HA H 127 3.841 3.841 3.825 0.016 18521 12375 1 13 . 1 1 127 127 LEU C C 127 179.582 179.582 178.917 0.665 18521 12376 1 13 . 1 1 127 127 LEU CA C 127 58.632 58.632 57.721 0.911 18521 12377 1 13 . 1 1 127 127 LEU CB C 127 42.680 42.680 41.608 1.073 18521 12378 1 13 . 1 1 127 127 LEU H H 127 8.888 8.888 7.424 1.464 18521 12379 1 13 . 1 1 128 128 ILE N N 128 121.311 121.311 119.298 2.013 18521 12380 1 13 . 1 1 128 128 ILE HA H 128 3.938 3.938 3.740 0.198 18521 12381 1 13 . 1 1 128 128 ILE C C 128 176.725 176.725 178.014 -1.289 18521 12382 1 13 . 1 1 128 128 ILE CA C 128 60.922 60.922 65.171 -4.248 18521 12383 1 13 . 1 1 128 128 ILE CB C 128 38.971 38.971 37.190 1.781 18521 12384 1 13 . 1 1 128 128 ILE H H 128 7.469 7.469 7.807 -0.338 18521 12385 1 13 . 1 1 129 129 ASN N N 129 122.727 122.727 117.973 4.754 18521 12386 1 13 . 1 1 129 129 ASN HA H 129 4.582 4.582 4.403 0.179 18521 12387 1 13 . 1 1 129 129 ASN C C 129 177.132 177.132 177.123 0.009 18521 12388 1 13 . 1 1 129 129 ASN CA C 129 52.982 52.982 57.458 -4.476 18521 12389 1 13 . 1 1 129 129 ASN CB C 129 38.792 38.792 38.346 0.446 18521 12390 1 13 . 1 1 129 129 ASN H H 129 8.173 8.173 8.251 -0.078 18521 12391 1 13 . 1 1 130 130 ILE N N 130 120.527 120.527 122.131 -1.604 18521 12392 1 13 . 1 1 130 130 ILE HA H 130 4.305 4.305 2.424 1.881 18521 12393 1 13 . 1 1 130 130 ILE C C 130 175.796 175.796 177.083 -1.287 18521 12394 1 13 . 1 1 130 130 ILE CA C 130 61.246 61.246 63.844 -2.598 18521 12395 1 13 . 1 1 130 130 ILE CB C 130 38.797 38.797 36.601 2.196 18521 12396 1 13 . 1 1 130 130 ILE H H 130 8.096 8.096 7.232 0.864 18521 12397 1 13 . 1 1 131 131 ASP N N 131 122.165 122.165 122.026 0.139 18521 12398 1 13 . 1 1 131 131 ASP HA H 131 4.416 4.416 3.908 0.508 18521 12399 1 13 . 1 1 131 131 ASP C C 131 176.750 176.750 178.467 -1.717 18521 12400 1 13 . 1 1 131 131 ASP CA C 131 55.955 55.955 57.769 -1.814 18521 12401 1 13 . 1 1 131 131 ASP CB C 131 41.117 41.117 40.623 0.494 18521 12402 1 13 . 1 1 131 131 ASP H H 131 8.157 8.157 7.583 0.574 18521 12403 1 13 . 1 1 132 132 LYS N N 132 119.537 119.537 117.574 1.963 18521 12404 1 13 . 1 1 132 132 LYS HA H 132 4.373 4.373 3.958 0.415 18521 12405 1 13 . 1 1 132 132 LYS C C 132 176.405 176.405 178.151 -1.746 18521 12406 1 13 . 1 1 132 132 LYS CA C 132 55.699 55.699 58.987 -3.288 18521 12407 1 13 . 1 1 132 132 LYS CB C 132 32.822 32.822 32.292 0.530 18521 12408 1 13 . 1 1 132 132 LYS H H 132 8.023 8.023 7.547 0.476 18521 12409 1 13 . 1 1 133 133 LEU N N 133 120.242 120.242 119.586 0.656 18521 12410 1 13 . 1 1 133 133 LEU HA H 133 4.158 4.158 4.267 -0.109 18521 12411 1 13 . 1 1 133 133 LEU C C 133 178.449 178.449 179.316 -0.867 18521 12412 1 13 . 1 1 133 133 LEU CA C 133 57.538 57.538 57.743 -0.205 18521 12413 1 13 . 1 1 133 133 LEU CB C 133 41.572 41.572 42.889 -1.317 18521 12414 1 13 . 1 1 133 133 LEU H H 133 8.024 8.024 7.695 0.329 18521 12415 1 13 . 1 1 134 134 GLN N N 134 117.985 117.985 117.490 0.495 18521 12416 1 13 . 1 1 134 134 GLN HA H 134 4.018 4.018 3.787 0.231 18521 12417 1 13 . 1 1 134 134 GLN C C 134 179.500 179.500 176.922 2.578 18521 12418 1 13 . 1 1 134 134 GLN CA C 134 58.175 58.175 57.738 0.437 18521 12419 1 13 . 1 1 134 134 GLN CB C 134 29.102 29.102 28.085 1.017 18521 12420 1 13 . 1 1 134 134 GLN H H 134 8.536 8.536 8.138 0.398 18521 12421 1 13 . 1 1 135 135 TRP N N 135 115.550 115.550 115.737 -0.187 18521 12422 1 13 . 1 1 135 135 TRP HA H 135 4.991 4.991 4.924 0.067 18521 12423 1 13 . 1 1 135 135 TRP C C 135 175.170 175.170 175.274 -0.104 18521 12424 1 13 . 1 1 135 135 TRP CA C 135 59.426 59.426 55.894 3.532 18521 12425 1 13 . 1 1 135 135 TRP CB C 135 26.894 26.894 28.142 -1.248 18521 12426 1 13 . 1 1 135 135 TRP H H 135 7.727 7.727 7.313 0.414 18521 12427 1 13 . 1 1 136 136 LYS N N 136 119.841 119.841 120.634 -0.793 18521 12428 1 13 . 1 1 136 136 LYS HA H 136 3.830 3.830 4.023 -0.193 18521 12429 1 13 . 1 1 136 136 LYS C C 136 178.330 178.330 178.714 -0.384 18521 12430 1 13 . 1 1 136 136 LYS CA C 136 60.194 60.194 60.402 -0.208 18521 12431 1 13 . 1 1 136 136 LYS CB C 136 32.902 32.902 32.389 0.513 18521 12432 1 13 . 1 1 136 136 LYS H H 136 6.580 6.580 7.831 -1.251 18521 12433 1 13 . 1 1 137 137 GLU N N 137 115.250 115.250 117.047 -1.797 18521 12434 1 13 . 1 1 137 137 GLU HA H 137 4.177 4.177 4.139 0.038 18521 12435 1 13 . 1 1 137 137 GLU C C 137 176.698 176.698 176.973 -0.275 18521 12436 1 13 . 1 1 137 137 GLU CA C 137 57.766 57.766 58.444 -0.678 18521 12437 1 13 . 1 1 137 137 GLU CB C 137 29.221 29.221 29.461 -0.240 18521 12438 1 13 . 1 1 137 137 GLU H H 137 8.549 8.549 8.755 -0.206 18521 12439 1 13 . 1 1 138 138 ASN N N 138 116.578 116.578 115.483 1.095 18521 12440 1 13 . 1 1 138 138 ASN HA H 138 4.943 4.943 4.749 0.194 18521 12441 1 13 . 1 1 138 138 ASN C C 138 173.448 173.448 174.587 -1.139 18521 12442 1 13 . 1 1 138 138 ASN CA C 138 52.681 52.681 53.594 -0.913 18521 12443 1 13 . 1 1 138 138 ASN CB C 138 40.833 40.833 39.481 1.352 18521 12444 1 13 . 1 1 138 138 ASN H H 138 8.337 8.337 7.639 0.698 18521 12445 1 13 . 1 1 139 139 ILE N N 139 120.835 120.835 119.811 1.024 18521 12446 1 13 . 1 1 139 139 ILE HA H 139 4.339 4.339 4.274 0.065 18521 12447 1 13 . 1 1 139 139 ILE C C 139 175.219 175.219 175.041 0.178 18521 12448 1 13 . 1 1 139 139 ILE CA C 139 60.867 60.867 60.622 0.245 18521 12449 1 13 . 1 1 139 139 ILE CB C 139 40.270 40.270 39.760 0.510 18521 12450 1 13 . 1 1 139 139 ILE H H 139 7.138 7.138 7.245 -0.107 18521 12451 1 13 . 1 1 140 140 MET N N 140 123.319 123.319 122.125 1.194 18521 12452 1 13 . 1 1 140 140 MET HA H 140 4.324 4.324 4.519 -0.195 18521 12453 1 13 . 1 1 140 140 MET C C 140 177.931 177.931 177.315 0.616 18521 12454 1 13 . 1 1 140 140 MET CA C 140 58.511 58.511 55.388 3.123 18521 12455 1 13 . 1 1 140 140 MET CB C 140 65.156 65.156 64.449 0.707 18521 12456 1 13 . 1 1 140 140 MET H H 140 8.714 8.714 8.419 0.295 18521 12457 1 13 . 1 1 141 141 LEU N N 141 120.610 120.610 124.298 -3.688 18521 12458 1 13 . 1 1 141 141 LEU HA H 141 4.047 4.047 4.087 -0.040 18521 12459 1 13 . 1 1 141 141 LEU C C 141 177.281 177.281 179.101 -1.820 18521 12460 1 13 . 1 1 141 141 LEU CA C 141 58.362 58.362 58.380 -0.019 18521 12461 1 13 . 1 1 141 141 LEU H H 141 8.333 8.333 8.993 -0.660 18521 12462 1 13 . 1 1 142 142 ASP N N 142 121.268 121.268 121.597 -0.329 18521 12463 1 13 . 1 1 142 142 ASP HA H 142 4.415 4.415 4.433 -0.018 18521 12464 1 13 . 1 1 142 142 ASP C C 142 175.916 175.916 178.267 -2.351 18521 12465 1 13 . 1 1 142 142 ASP CA C 142 54.678 54.678 58.294 -3.616 18521 12466 1 13 . 1 1 142 142 ASP CB C 142 68.329 68.329 68.598 -0.269 18521 12467 1 13 . 1 1 142 142 ASP H H 142 8.199 8.199 8.146 0.053 18521 12468 1 13 . 1 1 143 143 LEU N N 143 120.218 120.218 122.784 -2.566 18521 12469 1 13 . 1 1 143 143 LEU HA H 143 4.108 4.108 4.024 0.084 18521 12470 1 13 . 1 1 143 143 LEU C C 143 176.205 176.205 178.667 -2.462 18521 12471 1 13 . 1 1 143 143 LEU CA C 143 57.314 57.314 58.593 -1.278 18521 12472 1 13 . 1 1 143 143 LEU CB C 143 39.700 39.700 41.833 -2.133 18521 12473 1 13 . 1 1 143 143 LEU H H 143 7.858 7.858 8.064 -0.206 18521 12474 1 13 . 1 1 144 144 ILE N N 144 121.582 121.582 124.703 -3.121 18521 12475 1 13 . 1 1 144 144 ILE HA H 144 4.083 4.083 3.733 0.350 18521 12476 1 13 . 1 1 144 144 ILE C C 144 177.130 177.130 177.490 -0.360 18521 12477 1 13 . 1 1 144 144 ILE CA C 144 60.697 60.697 66.448 -5.751 18521 12478 1 13 . 1 1 144 144 ILE CB C 144 38.565 38.565 37.568 0.997 18521 12479 1 13 . 1 1 144 144 ILE H H 144 7.948 7.948 8.111 -0.163 18521 12480 1 13 . 1 1 145 145 GLU N N 145 120.974 120.974 121.264 -0.290 18521 12481 1 13 . 1 1 145 145 GLU HA H 145 4.049 4.049 4.194 -0.145 18521 12482 1 13 . 1 1 145 145 GLU C C 145 179.664 179.664 178.488 1.176 18521 12483 1 13 . 1 1 145 145 GLU CA C 145 59.673 59.673 60.245 -0.572 18521 12484 1 13 . 1 1 145 145 GLU CB C 145 29.521 29.521 29.808 -0.287 18521 12485 1 13 . 1 1 145 145 GLU H H 145 7.869 7.869 7.901 -0.032 18521 12486 1 13 . 1 1 146 146 GLN N N 146 118.520 118.520 120.338 -1.818 18521 12487 1 13 . 1 1 146 146 GLN HA H 146 4.034 4.034 4.029 0.005 18521 12488 1 13 . 1 1 146 146 GLN C C 146 178.820 178.820 178.072 0.748 18521 12489 1 13 . 1 1 146 146 GLN CA C 146 58.720 58.720 58.916 -0.196 18521 12490 1 13 . 1 1 146 146 GLN CB C 146 29.312 29.312 28.453 0.859 18521 12491 1 13 . 1 1 146 146 GLN H H 146 8.407 8.407 7.444 0.963 18521 12492 1 13 . 1 1 147 147 GLY N N 147 108.998 108.998 109.734 -0.736 18521 12493 1 13 . 1 1 147 147 GLY HA H 147 3.471 3.471 3.845 -0.374 18521 12494 1 13 . 1 1 147 147 GLY C C 147 175.794 175.794 176.548 -0.754 18521 12495 1 13 . 1 1 147 147 GLY CA C 147 47.525 47.525 48.207 -0.682 18521 12496 1 13 . 1 1 147 147 GLY CB C 147 41.801 41.801 41.538 0.263 18521 12497 1 13 . 1 1 147 147 GLY H H 147 8.059 8.059 7.546 0.513 18521 12498 1 13 . 1 1 148 148 ASP N N 148 124.022 124.022 118.791 5.231 18521 12499 1 13 . 1 1 148 148 ASP HA H 148 4.342 4.342 4.132 0.210 18521 12500 1 13 . 1 1 148 148 ASP C C 148 175.607 175.607 178.468 -2.861 18521 12501 1 13 . 1 1 148 148 ASP CA C 148 57.252 57.252 57.524 -0.272 18521 12502 1 13 . 1 1 148 148 ASP CB C 148 39.918 39.918 40.346 -0.428 18521 12503 1 13 . 1 1 148 148 ASP H H 148 8.522 8.522 8.445 0.077 18521 12504 1 13 . 1 1 149 149 GLU N N 149 121.333 121.333 120.069 1.264 18521 12505 1 13 . 1 1 149 149 GLU HA H 149 4.008 4.008 3.955 0.053 18521 12506 1 13 . 1 1 149 149 GLU C C 149 175.652 175.652 178.760 -3.108 18521 12507 1 13 . 1 1 149 149 GLU CA C 149 59.394 59.394 59.677 -0.283 18521 12508 1 13 . 1 1 149 149 GLU CB C 149 32.048 32.048 32.248 -0.200 18521 12509 1 13 . 1 1 149 149 GLU H H 149 7.768 7.768 7.990 -0.222 18521 12510 1 13 . 1 1 150 150 LEU N N 150 120.820 120.820 119.015 1.805 18521 12511 1 13 . 1 1 150 150 LEU HA H 150 3.718 3.718 3.880 -0.162 18521 12512 1 13 . 1 1 150 150 LEU C C 150 179.476 179.476 179.281 0.195 18521 12513 1 13 . 1 1 150 150 LEU CA C 150 57.656 57.656 57.795 -0.139 18521 12514 1 13 . 1 1 150 150 LEU CB C 150 28.936 28.936 29.566 -0.630 18521 12515 1 13 . 1 1 150 150 LEU H H 150 8.113 8.113 7.337 0.776 18521 12516 1 13 . 1 1 151 151 GLN N N 151 118.698 118.698 119.454 -0.756 18521 12517 1 13 . 1 1 151 151 GLN HA H 151 3.990 3.990 3.589 0.401 18521 12518 1 13 . 1 1 151 151 GLN C C 151 178.418 178.418 177.922 0.496 18521 12519 1 13 . 1 1 151 151 GLN CA C 151 58.570 58.570 59.422 -0.852 18521 12520 1 13 . 1 1 151 151 GLN CB C 151 38.409 38.409 37.552 0.857 18521 12521 1 13 . 1 1 151 151 GLN H H 151 8.282 8.282 7.840 0.442 18521 12522 1 13 . 1 1 152 152 GLU N N 152 120.750 120.750 119.693 1.057 18521 12523 1 13 . 1 1 152 152 GLU HA H 152 4.035 4.035 3.960 0.075 18521 12524 1 13 . 1 1 152 152 GLU C C 152 178.916 178.916 178.914 0.002 18521 12525 1 13 . 1 1 152 152 GLU CA C 152 59.223 59.223 59.050 0.173 18521 12526 1 13 . 1 1 152 152 GLU CB C 152 29.322 29.322 29.069 0.253 18521 12527 1 13 . 1 1 152 152 GLU H H 152 7.499 7.499 8.572 -1.073 18521 12528 1 13 . 1 1 153 153 VAL N N 153 120.317 120.317 121.109 -0.792 18521 12529 1 13 . 1 1 153 153 VAL HA H 153 3.695 3.695 3.802 -0.107 18521 12530 1 13 . 1 1 153 153 VAL C C 153 178.846 178.846 178.218 0.628 18521 12531 1 13 . 1 1 153 153 VAL CA C 153 65.832 65.832 66.622 -0.790 18521 12532 1 13 . 1 1 153 153 VAL CB C 153 31.921 31.921 31.884 0.037 18521 12533 1 13 . 1 1 153 153 VAL H H 153 7.763 7.763 8.706 -0.943 18521 12534 1 13 . 1 1 154 154 LEU N N 154 121.374 121.374 119.464 1.910 18521 12535 1 13 . 1 1 154 154 LEU HA H 154 3.917 3.917 4.056 -0.139 18521 12536 1 13 . 1 1 154 154 LEU C C 154 178.836 178.836 178.699 0.137 18521 12537 1 13 . 1 1 154 154 LEU CA C 154 57.439 57.439 57.740 -0.301 18521 12538 1 13 . 1 1 154 154 LEU CB C 154 41.797 41.797 40.834 0.963 18521 12539 1 13 . 1 1 154 154 LEU H H 154 7.731 7.731 7.928 -0.197 18521 12540 1 13 . 1 1 155 155 ALA N N 155 121.695 121.695 124.197 -2.502 18521 12541 1 13 . 1 1 155 155 ALA HA H 155 4.145 4.145 3.825 0.320 18521 12542 1 13 . 1 1 155 155 ALA C C 155 179.502 179.502 180.047 -0.545 18521 12543 1 13 . 1 1 155 155 ALA CA C 155 54.175 54.175 55.434 -1.259 18521 12544 1 13 . 1 1 155 155 ALA CB C 155 18.499 18.499 18.697 -0.198 18521 12545 1 13 . 1 1 155 155 ALA H H 155 7.896 7.896 7.737 0.159 18521 12546 1 13 . 1 1 156 156 MET N N 156 117.652 117.652 118.821 -1.169 18521 12547 1 13 . 1 1 156 156 MET HA H 156 4.228 4.228 3.890 0.338 18521 12548 1 13 . 1 1 156 156 MET C C 156 177.366 177.366 178.178 -0.812 18521 12549 1 13 . 1 1 156 156 MET CA C 156 57.306 57.306 59.345 -2.039 18521 12550 1 13 . 1 1 156 156 MET CB C 156 32.373 32.373 32.525 -0.152 18521 12551 1 13 . 1 1 156 156 MET H H 156 7.778 7.778 8.410 -0.632 18521 12552 1 13 . 1 1 157 157 ASN N N 157 117.853 117.853 117.086 0.767 18521 12553 1 13 . 1 1 157 157 ASN HA H 157 4.588 4.588 4.201 0.387 18521 12554 1 13 . 1 1 157 157 ASN C C 157 175.211 175.211 177.772 -2.561 18521 12555 1 13 . 1 1 157 157 ASN CA C 157 54.068 54.068 57.258 -3.189 18521 12556 1 13 . 1 1 157 157 ASN CB C 157 39.125 39.125 38.306 0.819 18521 12557 1 13 . 1 1 157 157 ASN H H 157 8.009 8.009 8.366 -0.357 18521 12558 1 13 . 1 1 158 158 ASN N N 158 117.684 117.684 117.436 0.248 18521 12559 1 13 . 1 1 158 158 ASN HA H 158 4.612 4.612 4.322 0.290 18521 12560 1 13 . 1 1 158 158 ASN C C 158 174.669 174.669 177.313 -2.644 18521 12561 1 13 . 1 1 158 158 ASN CA C 158 53.554 53.554 56.161 -2.607 18521 12562 1 13 . 1 1 158 158 ASN CB C 158 39.343 39.343 37.996 1.347 18521 12563 1 13 . 1 1 158 158 ASN H H 158 7.951 7.951 8.828 -0.877 18521 12564 1 13 . 1 1 159 159 ASN N N 159 119.399 119.399 117.053 2.346 18521 12565 1 13 . 1 1 159 159 ASN HA H 159 4.583 4.583 4.411 0.172 18521 12566 1 13 . 1 1 159 159 ASN C C 159 175.563 175.563 177.457 -1.894 18521 12567 1 13 . 1 1 159 159 ASN CA C 159 53.901 53.901 56.604 -2.703 18521 12568 1 13 . 1 1 159 159 ASN CB C 159 38.425 38.425 38.189 0.236 18521 12569 1 13 . 1 1 159 159 ASN H H 159 8.319 8.319 7.737 0.583 18521 12570 1 13 . 1 1 160 160 SER N N 160 115.453 115.453 117.236 -1.783 18521 12571 1 13 . 1 1 160 160 SER HA H 160 4.324 4.324 4.075 0.249 18521 12572 1 13 . 1 1 160 160 SER C C 160 174.952 174.952 176.997 -2.045 18521 12573 1 13 . 1 1 160 160 SER CA C 160 58.851 58.851 61.378 -2.527 18521 12574 1 13 . 1 1 160 160 SER CB C 160 63.704 63.704 62.974 0.730 18521 12575 1 13 . 1 1 160 160 SER H H 160 8.297 8.297 7.490 0.807 18521 12576 1 13 . 1 1 161 161 GLY N N 161 110.851 110.851 106.829 4.022 18521 12577 1 13 . 1 1 161 161 GLY HA H 161 4.146 4.146 4.091 0.055 18521 12578 1 13 . 1 1 161 161 GLY C C 161 173.974 173.974 177.787 -3.813 18521 12579 1 13 . 1 1 161 161 GLY CA C 161 45.348 45.348 48.143 -2.795 18521 12580 1 13 . 1 1 161 161 GLY CB C 161 42.245 42.245 41.799 0.446 18521 12581 1 13 . 1 1 161 161 GLY H H 161 8.328 8.328 8.390 -0.062 18521 12582 1 13 . 1 1 162 162 GLU N N 162 120.859 120.859 119.204 1.655 18521 12583 1 13 . 1 1 162 162 GLU HA H 162 4.211 4.211 4.218 -0.007 18521 12584 1 13 . 1 1 162 162 GLU C C 162 177.522 177.522 177.352 0.170 18521 12585 1 13 . 1 1 162 162 GLU CA C 162 56.065 56.065 59.097 -3.032 18521 12586 1 13 . 1 1 162 162 GLU CB C 162 29.852 29.852 29.076 0.776 18521 12587 1 13 . 1 1 162 162 GLU H H 162 8.244 8.244 7.897 0.347 18521 12588 1 13 . 1 1 163 163 LEU N N 163 124.226 124.226 117.981 6.245 18521 12589 1 13 . 1 1 163 163 LEU HA H 163 3.889 3.889 4.320 -0.431 18521 12590 1 13 . 1 1 163 163 LEU C C 163 178.043 178.043 176.699 1.344 18521 12591 1 13 . 1 1 163 163 LEU CA C 163 57.163 57.163 54.323 2.840 18521 12592 1 13 . 1 1 163 163 LEU CB C 163 41.840 41.840 41.890 -0.050 18521 12593 1 13 . 1 1 163 163 LEU H H 163 8.337 8.337 7.584 0.753 18521 12594 1 13 . 1 1 164 164 ASP N N 164 116.994 116.994 119.631 -2.637 18521 12595 1 13 . 1 1 164 164 ASP HA H 164 4.327 4.327 4.275 0.052 18521 12596 1 13 . 1 1 164 164 ASP C C 164 176.423 176.423 176.664 -0.241 18521 12597 1 13 . 1 1 164 164 ASP CA C 164 55.427 55.427 54.719 0.708 18521 12598 1 13 . 1 1 164 164 ASP H H 164 8.188 8.188 7.834 0.354 18521 12599 1 13 . 1 1 165 165 ASP N N 165 118.967 118.967 118.438 0.529 18521 12600 1 13 . 1 1 165 165 ASP HA H 165 4.443 4.443 4.452 -0.009 18521 12601 1 13 . 1 1 165 165 ASP C C 165 175.654 175.654 176.241 -0.587 18521 12602 1 13 . 1 1 165 165 ASP CA C 165 54.707 54.707 54.888 -0.181 18521 12603 1 13 . 1 1 165 165 ASP CB C 165 40.973 40.973 41.269 -0.296 18521 12604 1 13 . 1 1 165 165 ASP H H 165 7.701 7.701 7.966 -0.265 18521 12605 1 13 . 1 1 166 166 ILE N N 166 122.002 122.002 119.434 2.568 18521 12606 1 13 . 1 1 166 166 ILE HA H 166 4.049 4.049 4.034 0.015 18521 12607 1 13 . 1 1 166 166 ILE C C 166 175.180 175.180 175.069 0.111 18521 12608 1 13 . 1 1 166 166 ILE CA C 166 60.396 60.396 59.690 0.706 18521 12609 1 13 . 1 1 166 166 ILE CB C 166 39.185 39.185 37.703 1.482 18521 12610 1 13 . 1 1 166 166 ILE H H 166 7.388 7.388 7.265 0.123 18521 12611 1 14 . 1 1 2 2 ALA N N 2 122.445 122.445 124.248 -1.803 18521 12612 1 14 . 1 1 2 2 ALA HA H 2 4.045 4.045 4.042 0.003 18521 12613 1 14 . 1 1 2 2 ALA C C 2 179.992 179.992 178.553 1.439 18521 12614 1 14 . 1 1 2 2 ALA CA C 2 55.140 55.140 55.008 0.132 18521 12615 1 14 . 1 1 2 2 ALA CB C 2 18.482 18.482 18.105 0.377 18521 12616 1 14 . 1 1 2 2 ALA H H 2 8.545 8.545 8.582 -0.037 18521 12617 1 14 . 1 1 3 3 SER N N 3 115.544 115.544 112.708 2.836 18521 12618 1 14 . 1 1 3 3 SER HA H 3 4.030 4.030 4.093 -0.063 18521 12619 1 14 . 1 1 3 3 SER C C 3 176.584 176.584 176.387 0.197 18521 12620 1 14 . 1 1 3 3 SER CA C 3 60.748 60.748 61.233 -0.485 18521 12621 1 14 . 1 1 3 3 SER CB C 3 62.416 62.416 62.542 -0.126 18521 12622 1 14 . 1 1 3 3 SER H H 3 8.009 8.009 8.445 -0.436 18521 12623 1 14 . 1 1 4 4 ASN N N 4 123.103 123.103 120.055 3.048 18521 12624 1 14 . 1 1 4 4 ASN HA H 4 4.318 4.318 4.455 -0.137 18521 12625 1 14 . 1 1 4 4 ASN C C 4 176.215 176.215 177.089 -0.874 18521 12626 1 14 . 1 1 4 4 ASN CA C 4 55.580 55.580 56.127 -0.547 18521 12627 1 14 . 1 1 4 4 ASN CB C 4 38.154 38.154 38.336 -0.182 18521 12628 1 14 . 1 1 4 4 ASN H H 4 7.965 7.965 7.630 0.335 18521 12629 1 14 . 1 1 5 5 ALA N N 5 122.314 122.314 121.610 0.704 18521 12630 1 14 . 1 1 5 5 ALA HA H 5 3.560 3.560 3.967 -0.407 18521 12631 1 14 . 1 1 5 5 ALA C C 5 178.543 178.543 178.970 -0.427 18521 12632 1 14 . 1 1 5 5 ALA CA C 5 55.774 55.774 55.042 0.732 18521 12633 1 14 . 1 1 5 5 ALA CB C 5 17.638 17.638 18.183 -0.545 18521 12634 1 14 . 1 1 5 5 ALA H H 5 8.721 8.721 7.369 1.352 18521 12635 1 14 . 1 1 6 6 ALA N N 6 117.886 117.886 121.825 -3.939 18521 12636 1 14 . 1 1 6 6 ALA HA H 6 3.784 3.784 3.895 -0.111 18521 12637 1 14 . 1 1 6 6 ALA C C 6 180.378 180.378 179.101 1.277 18521 12638 1 14 . 1 1 6 6 ALA CA C 6 55.240 55.240 55.150 0.090 18521 12639 1 14 . 1 1 6 6 ALA CB C 6 17.890 17.890 18.186 -0.296 18521 12640 1 14 . 1 1 6 6 ALA H H 6 7.891 7.891 7.458 0.433 18521 12641 1 14 . 1 1 7 7 ARG N N 7 120.992 120.992 119.257 1.735 18521 12642 1 14 . 1 1 7 7 ARG HA H 7 3.770 3.770 4.044 -0.274 18521 12643 1 14 . 1 1 7 7 ARG C C 7 179.531 179.531 178.597 0.934 18521 12644 1 14 . 1 1 7 7 ARG CA C 7 59.249 59.249 59.436 -0.187 18521 12645 1 14 . 1 1 7 7 ARG CB C 7 29.546 29.546 30.402 -0.856 18521 12646 1 14 . 1 1 7 7 ARG H H 7 7.503 7.503 7.777 -0.274 18521 12647 1 14 . 1 1 8 8 VAL N N 8 123.707 123.707 119.652 4.055 18521 12648 1 14 . 1 1 8 8 VAL HA H 8 3.285 3.285 3.809 -0.524 18521 12649 1 14 . 1 1 8 8 VAL C C 8 177.740 177.740 178.284 -0.544 18521 12650 1 14 . 1 1 8 8 VAL CA C 8 67.839 67.839 66.162 1.677 18521 12651 1 14 . 1 1 8 8 VAL CB C 8 31.516 31.516 31.238 0.278 18521 12652 1 14 . 1 1 8 8 VAL H H 8 8.176 8.176 8.072 0.104 18521 12653 1 14 . 1 1 9 9 VAL N N 9 119.893 119.893 120.497 -0.604 18521 12654 1 14 . 1 1 9 9 VAL HA H 9 3.286 3.286 3.494 -0.208 18521 12655 1 14 . 1 1 9 9 VAL C C 9 177.535 177.535 177.960 -0.425 18521 12656 1 14 . 1 1 9 9 VAL CA C 9 67.549 67.549 67.294 0.255 18521 12657 1 14 . 1 1 9 9 VAL CB C 9 31.683 31.683 31.280 0.403 18521 12658 1 14 . 1 1 9 9 VAL H H 9 8.329 8.329 7.887 0.442 18521 12659 1 14 . 1 1 10 10 ALA N N 10 122.541 122.541 121.433 1.108 18521 12660 1 14 . 1 1 10 10 ALA HA H 10 3.971 3.971 4.073 -0.102 18521 12661 1 14 . 1 1 10 10 ALA C C 10 177.093 177.093 179.694 -2.601 18521 12662 1 14 . 1 1 10 10 ALA CA C 10 55.448 55.448 55.531 -0.083 18521 12663 1 14 . 1 1 10 10 ALA CB C 10 17.791 17.791 18.328 -0.537 18521 12664 1 14 . 1 1 10 10 ALA H H 10 7.802 7.802 8.201 -0.399 18521 12665 1 14 . 1 1 11 11 THR N N 11 116.946 116.946 115.384 1.562 18521 12666 1 14 . 1 1 11 11 THR HA H 11 3.821 3.821 4.008 -0.187 18521 12667 1 14 . 1 1 11 11 THR C C 11 175.702 175.702 176.667 -0.965 18521 12668 1 14 . 1 1 11 11 THR CA C 11 66.531 66.531 66.084 0.447 18521 12669 1 14 . 1 1 11 11 THR CB C 11 68.493 68.493 68.447 0.046 18521 12670 1 14 . 1 1 11 11 THR H H 11 8.187 8.187 8.593 -0.406 18521 12671 1 14 . 1 1 12 12 ALA N N 12 125.357 125.357 124.091 1.266 18521 12672 1 14 . 1 1 12 12 ALA HA H 12 4.003 4.003 4.071 -0.068 18521 12673 1 14 . 1 1 12 12 ALA C C 12 179.401 179.401 179.372 0.029 18521 12674 1 14 . 1 1 12 12 ALA CA C 12 56.083 56.083 55.316 0.767 18521 12675 1 14 . 1 1 12 12 ALA CB C 12 18.855 18.855 18.194 0.661 18521 12676 1 14 . 1 1 12 12 ALA H H 12 8.641 8.641 8.469 0.172 18521 12677 1 14 . 1 1 13 13 LYS N N 13 117.246 117.246 117.018 0.228 18521 12678 1 14 . 1 1 13 13 LYS HA H 13 3.964 3.964 4.094 -0.130 18521 12679 1 14 . 1 1 13 13 LYS C C 13 180.132 180.132 178.377 1.755 18521 12680 1 14 . 1 1 13 13 LYS CA C 13 58.991 58.991 59.188 -0.197 18521 12681 1 14 . 1 1 13 13 LYS CB C 13 32.014 32.014 32.069 -0.055 18521 12682 1 14 . 1 1 13 13 LYS H H 13 7.961 7.961 7.691 0.270 18521 12683 1 14 . 1 1 14 14 ASP N N 14 122.162 122.162 119.778 2.384 18521 12684 1 14 . 1 1 14 14 ASP HA H 14 4.355 4.355 4.401 -0.046 18521 12685 1 14 . 1 1 14 14 ASP C C 14 179.394 179.394 178.282 1.112 18521 12686 1 14 . 1 1 14 14 ASP CA C 14 57.524 57.524 56.896 0.628 18521 12687 1 14 . 1 1 14 14 ASP CB C 14 39.984 39.984 40.432 -0.448 18521 12688 1 14 . 1 1 14 14 ASP H H 14 7.702 7.702 7.866 -0.164 18521 12689 1 14 . 1 1 15 15 PHE N N 15 119.552 119.552 118.008 1.544 18521 12690 1 14 . 1 1 15 15 PHE HA H 15 4.307 4.307 4.208 0.099 18521 12691 1 14 . 1 1 15 15 PHE C C 15 178.383 178.383 177.832 0.551 18521 12692 1 14 . 1 1 15 15 PHE CA C 15 62.313 62.313 61.523 0.790 18521 12693 1 14 . 1 1 15 15 PHE CB C 15 37.340 37.340 38.818 -1.478 18521 12694 1 14 . 1 1 15 15 PHE H H 15 7.970 7.970 7.581 0.389 18521 12695 1 14 . 1 1 16 16 ASP N N 16 121.464 121.464 119.583 1.881 18521 12696 1 14 . 1 1 16 16 ASP HA H 16 4.016 4.016 4.444 -0.428 18521 12697 1 14 . 1 1 16 16 ASP C C 16 179.923 179.923 179.235 0.688 18521 12698 1 14 . 1 1 16 16 ASP CA C 16 58.030 58.030 57.347 0.683 18521 12699 1 14 . 1 1 16 16 ASP CB C 16 41.407 41.407 40.163 1.244 18521 12700 1 14 . 1 1 16 16 ASP H H 16 8.259 8.259 7.825 0.434 18521 12701 1 14 . 1 1 17 17 LYS N N 17 118.806 118.806 120.336 -1.530 18521 12702 1 14 . 1 1 17 17 LYS HA H 17 4.047 4.047 4.124 -0.077 18521 12703 1 14 . 1 1 17 17 LYS C C 17 178.432 178.432 177.808 0.624 18521 12704 1 14 . 1 1 17 17 LYS CA C 17 59.018 59.018 59.024 -0.006 18521 12705 1 14 . 1 1 17 17 LYS CB C 17 32.592 32.592 32.671 -0.079 18521 12706 1 14 . 1 1 17 17 LYS H H 17 7.842 7.842 7.616 0.226 18521 12707 1 14 . 1 1 18 18 VAL N N 18 110.416 110.416 117.527 -7.111 18521 12708 1 14 . 1 1 18 18 VAL HA H 18 4.523 4.523 4.081 0.442 18521 12709 1 14 . 1 1 18 18 VAL C C 18 176.089 176.089 175.916 0.173 18521 12710 1 14 . 1 1 18 18 VAL CA C 18 60.797 60.797 62.645 -1.849 18521 12711 1 14 . 1 1 18 18 VAL CB C 18 31.194 31.194 31.977 -0.783 18521 12712 1 14 . 1 1 18 18 VAL H H 18 7.198 7.198 7.385 -0.187 18521 12713 1 14 . 1 1 19 19 GLY N N 19 109.008 109.008 108.066 0.942 18521 12714 1 14 . 1 1 19 19 GLY C C 19 175.070 175.070 174.645 0.425 18521 12715 1 14 . 1 1 19 19 GLY CA C 19 45.842 45.842 45.357 0.485 18521 12716 1 14 . 1 1 19 19 GLY H H 19 7.731 7.731 7.745 -0.014 18521 12717 1 14 . 1 1 20 20 LEU N N 20 125.244 125.244 123.040 2.204 18521 12718 1 14 . 1 1 20 20 LEU HA H 20 4.938 4.938 4.610 0.328 18521 12719 1 14 . 1 1 20 20 LEU C C 20 177.890 177.890 176.942 0.948 18521 12720 1 14 . 1 1 20 20 LEU CA C 20 52.674 52.674 53.141 -0.467 18521 12721 1 14 . 1 1 20 20 LEU CB C 20 40.239 40.239 40.050 0.189 18521 12722 1 14 . 1 1 20 20 LEU H H 20 8.102 8.102 8.346 -0.244 18521 12723 1 14 . 1 1 21 21 GLY N N 21 108.031 108.031 109.608 -1.577 18521 12724 1 14 . 1 1 21 21 GLY C C 21 176.174 176.174 175.876 0.298 18521 12725 1 14 . 1 1 21 21 GLY CA C 21 47.352 47.352 47.435 -0.083 18521 12726 1 14 . 1 1 21 21 GLY H H 21 8.046 8.046 7.976 0.070 18521 12727 1 14 . 1 1 22 22 ILE N N 22 121.173 121.173 122.009 -0.836 18521 12728 1 14 . 1 1 22 22 ILE HA H 22 3.944 3.944 3.757 0.187 18521 12729 1 14 . 1 1 22 22 ILE C C 22 176.119 176.119 177.653 -1.534 18521 12730 1 14 . 1 1 22 22 ILE CA C 22 61.179 61.179 64.742 -3.563 18521 12731 1 14 . 1 1 22 22 ILE CB C 22 35.934 35.934 37.943 -2.009 18521 12732 1 14 . 1 1 22 22 ILE H H 22 8.395 8.395 8.039 0.356 18521 12733 1 14 . 1 1 23 23 ILE N N 23 120.647 120.647 120.259 0.388 18521 12734 1 14 . 1 1 23 23 ILE HA H 23 3.713 3.713 3.789 -0.076 18521 12735 1 14 . 1 1 23 23 ILE C C 23 178.458 178.458 178.471 -0.013 18521 12736 1 14 . 1 1 23 23 ILE CA C 23 64.266 64.266 62.273 1.993 18521 12737 1 14 . 1 1 23 23 ILE CB C 23 36.272 36.272 36.119 0.153 18521 12738 1 14 . 1 1 23 23 ILE H H 23 6.824 6.824 7.539 -0.715 18521 12739 1 14 . 1 1 24 24 GLY N N 24 103.326 103.326 107.879 -4.553 18521 12740 1 14 . 1 1 24 24 GLY C C 24 174.914 174.914 175.633 -0.719 18521 12741 1 14 . 1 1 24 24 GLY CA C 24 47.998 47.998 47.065 0.933 18521 12742 1 14 . 1 1 24 24 GLY H H 24 7.412 7.412 7.812 -0.400 18521 12743 1 14 . 1 1 25 25 TYR N N 25 124.188 124.188 124.200 -0.012 18521 12744 1 14 . 1 1 25 25 TYR HA H 25 3.734 3.734 3.790 -0.056 18521 12745 1 14 . 1 1 25 25 TYR C C 25 176.055 176.055 177.245 -1.190 18521 12746 1 14 . 1 1 25 25 TYR CA C 25 60.962 60.962 60.720 0.242 18521 12747 1 14 . 1 1 25 25 TYR CB C 25 37.888 37.888 37.749 0.139 18521 12748 1 14 . 1 1 25 25 TYR H H 25 7.861 7.861 8.325 -0.464 18521 12749 1 14 . 1 1 26 26 TYR N N 26 117.390 117.390 117.423 -0.033 18521 12750 1 14 . 1 1 26 26 TYR HA H 26 3.881 3.881 3.934 -0.053 18521 12751 1 14 . 1 1 26 26 TYR C C 26 178.653 178.653 177.969 0.684 18521 12752 1 14 . 1 1 26 26 TYR CA C 26 64.270 64.270 62.532 1.738 18521 12753 1 14 . 1 1 26 26 TYR CB C 26 37.453 37.453 38.212 -0.759 18521 12754 1 14 . 1 1 26 26 TYR H H 26 7.594 7.594 7.658 -0.064 18521 12755 1 14 . 1 1 27 27 LEU N N 27 118.536 118.536 120.069 -1.533 18521 12756 1 14 . 1 1 27 27 LEU HA H 27 4.277 4.277 3.860 0.417 18521 12757 1 14 . 1 1 27 27 LEU C C 27 179.025 179.025 179.182 -0.157 18521 12758 1 14 . 1 1 27 27 LEU CA C 27 58.382 58.382 57.861 0.521 18521 12759 1 14 . 1 1 27 27 LEU CB C 27 42.595 42.595 41.218 1.377 18521 12760 1 14 . 1 1 27 27 LEU H H 27 8.226 8.226 7.833 0.393 18521 12761 1 14 . 1 1 28 28 GLN N N 28 119.110 119.110 118.192 0.918 18521 12762 1 14 . 1 1 28 28 GLN HA H 28 3.665 3.665 3.821 -0.156 18521 12763 1 14 . 1 1 28 28 GLN C C 28 177.406 177.406 178.343 -0.937 18521 12764 1 14 . 1 1 28 28 GLN CA C 28 60.626 60.626 59.086 1.540 18521 12765 1 14 . 1 1 28 28 GLN CB C 28 28.959 28.959 28.532 0.427 18521 12766 1 14 . 1 1 28 28 GLN H H 28 8.007 8.007 8.434 -0.427 18521 12767 1 14 . 1 1 29 29 LEU N N 29 121.623 121.623 120.835 0.788 18521 12768 1 14 . 1 1 29 29 LEU HA H 29 3.718 3.718 3.846 -0.128 18521 12769 1 14 . 1 1 29 29 LEU C C 29 179.706 179.706 178.046 1.660 18521 12770 1 14 . 1 1 29 29 LEU CA C 29 58.382 58.382 57.514 0.868 18521 12771 1 14 . 1 1 29 29 LEU CB C 29 42.114 42.114 41.420 0.694 18521 12772 1 14 . 1 1 29 29 LEU H H 29 7.938 7.938 7.322 0.616 18521 12773 1 14 . 1 1 30 30 TYR N N 30 120.084 120.084 120.308 -0.224 18521 12774 1 14 . 1 1 30 30 TYR HA H 30 4.132 4.132 3.840 0.292 18521 12775 1 14 . 1 1 30 30 TYR C C 30 175.611 175.611 176.953 -1.342 18521 12776 1 14 . 1 1 30 30 TYR CA C 30 58.951 58.951 60.852 -1.901 18521 12777 1 14 . 1 1 30 30 TYR CB C 30 39.302 39.302 38.003 1.299 18521 12778 1 14 . 1 1 30 30 TYR H H 30 7.974 7.974 8.074 -0.100 18521 12779 1 14 . 1 1 31 31 ALA N N 31 121.802 121.802 121.305 0.497 18521 12780 1 14 . 1 1 31 31 ALA HA H 31 3.343 3.343 3.691 -0.348 18521 12781 1 14 . 1 1 31 31 ALA C C 31 178.911 178.911 179.274 -0.363 18521 12782 1 14 . 1 1 31 31 ALA CA C 31 55.429 55.429 55.009 0.420 18521 12783 1 14 . 1 1 31 31 ALA CB C 31 17.895 17.895 17.949 -0.054 18521 12784 1 14 . 1 1 31 31 ALA H H 31 8.504 8.504 8.372 0.132 18521 12785 1 14 . 1 1 32 32 VAL N N 32 116.528 116.528 118.804 -2.276 18521 12786 1 14 . 1 1 32 32 VAL HA H 32 3.249 3.249 3.431 -0.182 18521 12787 1 14 . 1 1 32 32 VAL C C 32 176.963 176.963 177.918 -0.955 18521 12788 1 14 . 1 1 32 32 VAL CA C 32 67.723 67.723 67.221 0.502 18521 12789 1 14 . 1 1 32 32 VAL CB C 32 31.403 31.403 31.454 -0.051 18521 12790 1 14 . 1 1 32 32 VAL H H 32 8.027 8.027 7.906 0.121 18521 12791 1 14 . 1 1 33 33 GLU N N 33 118.609 118.609 119.409 -0.800 18521 12792 1 14 . 1 1 33 33 GLU HA H 33 3.804 3.804 3.919 -0.115 18521 12793 1 14 . 1 1 33 33 GLU C C 33 180.234 180.234 179.102 1.132 18521 12794 1 14 . 1 1 33 33 GLU CA C 33 59.446 59.446 59.433 0.013 18521 12795 1 14 . 1 1 33 33 GLU CB C 33 28.711 28.711 29.411 -0.700 18521 12796 1 14 . 1 1 33 33 GLU H H 33 7.299 7.299 7.530 -0.231 18521 12797 1 14 . 1 1 34 34 LEU N N 34 120.831 120.831 120.065 0.766 18521 12798 1 14 . 1 1 34 34 LEU HA H 34 3.702 3.702 3.864 -0.162 18521 12799 1 14 . 1 1 34 34 LEU C C 34 180.024 180.024 178.565 1.459 18521 12800 1 14 . 1 1 34 34 LEU CA C 34 57.815 57.815 58.244 -0.429 18521 12801 1 14 . 1 1 34 34 LEU CB C 34 42.097 42.097 41.579 0.518 18521 12802 1 14 . 1 1 34 34 LEU H H 34 8.168 8.168 7.188 0.980 18521 12803 1 14 . 1 1 35 35 ILE N N 35 120.733 120.733 117.491 3.242 18521 12804 1 14 . 1 1 35 35 ILE HA H 35 3.589 3.589 3.545 0.044 18521 12805 1 14 . 1 1 35 35 ILE C C 35 178.501 178.501 178.788 -0.287 18521 12806 1 14 . 1 1 35 35 ILE CA C 35 65.363 65.363 65.015 0.348 18521 12807 1 14 . 1 1 35 35 ILE CB C 35 38.960 38.960 38.076 0.884 18521 12808 1 14 . 1 1 35 35 ILE H H 35 8.064 8.064 7.301 0.763 18521 12809 1 14 . 1 1 36 36 LEU N N 36 115.519 115.519 119.728 -4.209 18521 12810 1 14 . 1 1 36 36 LEU HA H 36 3.958 3.958 3.976 -0.018 18521 12811 1 14 . 1 1 36 36 LEU C C 36 178.244 178.244 178.248 -0.004 18521 12812 1 14 . 1 1 36 36 LEU CA C 36 56.069 56.069 57.440 -1.371 18521 12813 1 14 . 1 1 36 36 LEU CB C 36 40.528 40.528 41.802 -1.274 18521 12814 1 14 . 1 1 36 36 LEU H H 36 8.370 8.370 7.801 0.569 18521 12815 1 14 . 1 1 37 37 SER N N 37 113.976 113.976 110.732 3.244 18521 12816 1 14 . 1 1 37 37 SER HA H 37 4.197 4.197 4.341 -0.144 18521 12817 1 14 . 1 1 37 37 SER C C 37 173.934 173.934 173.655 0.279 18521 12818 1 14 . 1 1 37 37 SER CA C 37 60.204 60.204 59.588 0.616 18521 12819 1 14 . 1 1 37 37 SER CB C 37 63.507 63.507 63.458 0.049 18521 12820 1 14 . 1 1 37 37 SER H H 37 7.523 7.523 8.079 -0.556 18521 12821 1 14 . 1 1 38 38 GLU N N 38 123.219 123.219 121.183 2.036 18521 12822 1 14 . 1 1 38 38 GLU HA H 38 4.426 4.426 4.413 0.013 18521 12823 1 14 . 1 1 38 38 GLU C C 38 175.767 175.767 176.260 -0.493 18521 12824 1 14 . 1 1 38 38 GLU CA C 38 55.046 55.046 54.995 0.051 18521 12825 1 14 . 1 1 38 38 GLU CB C 38 30.395 30.395 30.773 -0.378 18521 12826 1 14 . 1 1 38 38 GLU H H 38 7.185 7.185 7.463 -0.278 18521 12827 1 14 . 1 1 39 39 GLU N N 39 126.955 126.955 125.243 1.712 18521 12828 1 14 . 1 1 39 39 GLU HA H 39 3.985 3.985 4.081 -0.096 18521 12829 1 14 . 1 1 39 39 GLU C C 39 176.861 176.861 175.786 1.075 18521 12830 1 14 . 1 1 39 39 GLU CA C 39 58.331 58.331 58.355 -0.024 18521 12831 1 14 . 1 1 39 39 GLU CB C 39 30.008 30.008 30.146 -0.138 18521 12832 1 14 . 1 1 39 39 GLU H H 39 8.632 8.632 8.751 -0.119 18521 12833 1 14 . 1 1 40 40 ASP N N 40 119.763 119.763 119.433 0.330 18521 12834 1 14 . 1 1 40 40 ASP HA H 40 4.616 4.616 4.761 -0.145 18521 12835 1 14 . 1 1 40 40 ASP C C 40 174.989 174.989 175.200 -0.211 18521 12836 1 14 . 1 1 40 40 ASP CA C 40 53.281 53.281 53.981 -0.700 18521 12837 1 14 . 1 1 40 40 ASP CB C 40 39.814 39.814 40.972 -1.158 18521 12838 1 14 . 1 1 40 40 ASP H H 40 8.560 8.560 8.105 0.455 18521 12839 1 14 . 1 1 41 41 ARG N N 41 119.595 119.595 122.227 -2.632 18521 12840 1 14 . 1 1 41 41 ARG HA H 41 4.390 4.390 4.638 -0.248 18521 12841 1 14 . 1 1 41 41 ARG C C 41 175.553 175.553 175.184 0.369 18521 12842 1 14 . 1 1 41 41 ARG CA C 41 54.707 54.707 55.202 -0.495 18521 12843 1 14 . 1 1 41 41 ARG CB C 41 31.865 31.865 34.036 -2.171 18521 12844 1 14 . 1 1 41 41 ARG H H 41 7.443 7.443 8.502 -1.059 18521 12845 1 14 . 1 1 42 42 SER N N 42 119.463 119.463 117.223 2.240 18521 12846 1 14 . 1 1 42 42 SER HA H 42 4.381 4.381 4.812 -0.431 18521 12847 1 14 . 1 1 42 42 SER C C 42 175.361 175.361 175.116 0.245 18521 12848 1 14 . 1 1 42 42 SER CA C 42 57.137 57.137 56.480 0.657 18521 12849 1 14 . 1 1 42 42 SER CB C 42 65.166 65.166 65.996 -0.830 18521 12850 1 14 . 1 1 42 42 SER H H 42 8.556 8.556 8.464 0.092 18521 12851 1 14 . 1 1 43 43 GLN N N 43 122.535 122.535 121.827 0.708 18521 12852 1 14 . 1 1 43 43 GLN HA H 43 4.018 4.018 3.965 0.053 18521 12853 1 14 . 1 1 43 43 GLN C C 43 178.768 178.768 178.343 0.425 18521 12854 1 14 . 1 1 43 43 GLN CA C 43 59.073 59.073 59.360 -0.287 18521 12855 1 14 . 1 1 43 43 GLN CB C 43 27.871 27.871 28.614 -0.743 18521 12856 1 14 . 1 1 43 43 GLN H H 43 9.087 9.087 8.960 0.127 18521 12857 1 14 . 1 1 44 44 GLU N N 44 120.308 120.308 119.873 0.435 18521 12858 1 14 . 1 1 44 44 GLU HA H 44 3.982 3.982 4.092 -0.110 18521 12859 1 14 . 1 1 44 44 GLU C C 44 179.737 179.737 178.810 0.927 18521 12860 1 14 . 1 1 44 44 GLU CA C 44 60.142 60.142 59.290 0.852 18521 12861 1 14 . 1 1 44 44 GLU CB C 44 28.801 28.801 29.339 -0.538 18521 12862 1 14 . 1 1 44 44 GLU H H 44 8.958 8.958 8.623 0.335 18521 12863 1 14 . 1 1 45 45 MET N N 45 120.968 120.968 117.921 3.047 18521 12864 1 14 . 1 1 45 45 MET HA H 45 4.432 4.432 4.335 0.097 18521 12865 1 14 . 1 1 45 45 MET C C 45 178.153 178.153 178.960 -0.807 18521 12866 1 14 . 1 1 45 45 MET CA C 45 57.117 57.117 56.960 0.157 18521 12867 1 14 . 1 1 45 45 MET CB C 45 32.517 32.517 31.844 0.673 18521 12868 1 14 . 1 1 45 45 MET H H 45 7.740 7.740 7.771 -0.031 18521 12869 1 14 . 1 1 46 46 THR N N 46 120.159 120.159 116.659 3.500 18521 12870 1 14 . 1 1 46 46 THR HA H 46 3.620 3.620 3.915 -0.295 18521 12871 1 14 . 1 1 46 46 THR C C 46 176.389 176.389 176.347 0.042 18521 12872 1 14 . 1 1 46 46 THR CA C 46 67.416 67.416 66.976 0.440 18521 12873 1 14 . 1 1 46 46 THR CB C 46 68.208 68.208 68.722 -0.514 18521 12874 1 14 . 1 1 46 46 THR H H 46 8.190 8.190 8.744 -0.554 18521 12875 1 14 . 1 1 47 47 ALA N N 47 124.729 124.729 123.710 1.019 18521 12876 1 14 . 1 1 47 47 ALA HA H 47 4.060 4.060 4.146 -0.086 18521 12877 1 14 . 1 1 47 47 ALA C C 47 179.554 179.554 179.112 0.442 18521 12878 1 14 . 1 1 47 47 ALA CA C 47 55.195 55.195 54.797 0.398 18521 12879 1 14 . 1 1 47 47 ALA CB C 47 17.654 17.654 18.404 -0.750 18521 12880 1 14 . 1 1 47 47 ALA H H 47 8.292 8.292 7.878 0.414 18521 12881 1 14 . 1 1 48 48 LEU N N 48 122.244 122.244 120.959 1.285 18521 12882 1 14 . 1 1 48 48 LEU HA H 48 4.195 4.195 4.066 0.129 18521 12883 1 14 . 1 1 48 48 LEU C C 48 178.022 178.022 178.431 -0.409 18521 12884 1 14 . 1 1 48 48 LEU CA C 48 57.695 57.695 57.404 0.291 18521 12885 1 14 . 1 1 48 48 LEU CB C 48 41.236 41.236 41.683 -0.447 18521 12886 1 14 . 1 1 48 48 LEU H H 48 7.723 7.723 7.782 -0.059 18521 12887 1 14 . 1 1 49 49 ALA N N 49 120.883 120.883 120.349 0.534 18521 12888 1 14 . 1 1 49 49 ALA HA H 49 3.854 3.854 3.898 -0.044 18521 12889 1 14 . 1 1 49 49 ALA C C 49 178.770 178.770 179.356 -0.586 18521 12890 1 14 . 1 1 49 49 ALA CA C 49 55.836 55.836 55.213 0.623 18521 12891 1 14 . 1 1 49 49 ALA CB C 49 17.137 17.137 18.113 -0.976 18521 12892 1 14 . 1 1 49 49 ALA H H 49 8.210 8.210 8.250 -0.040 18521 12893 1 14 . 1 1 50 50 THR N N 50 113.676 113.676 114.716 -1.040 18521 12894 1 14 . 1 1 50 50 THR HA H 50 3.765 3.765 3.908 -0.143 18521 12895 1 14 . 1 1 50 50 THR C C 50 175.836 175.836 176.290 -0.454 18521 12896 1 14 . 1 1 50 50 THR CA C 50 66.975 66.975 67.678 -0.703 18521 12897 1 14 . 1 1 50 50 THR CB C 50 68.976 68.976 68.383 0.593 18521 12898 1 14 . 1 1 50 50 THR H H 50 7.891 7.891 7.578 0.313 18521 12899 1 14 . 1 1 51 51 GLU N N 51 123.445 123.445 122.600 0.845 18521 12900 1 14 . 1 1 51 51 GLU HA H 51 4.221 4.221 4.052 0.169 18521 12901 1 14 . 1 1 51 51 GLU C C 51 179.906 179.906 178.733 1.173 18521 12902 1 14 . 1 1 51 51 GLU CA C 51 59.436 59.436 59.195 0.241 18521 12903 1 14 . 1 1 51 51 GLU CB C 51 29.498 29.498 29.565 -0.067 18521 12904 1 14 . 1 1 51 51 GLU H H 51 7.877 7.877 7.609 0.268 18521 12905 1 14 . 1 1 52 52 LEU N N 52 121.629 121.629 119.521 2.108 18521 12906 1 14 . 1 1 52 52 LEU HA H 52 3.907 3.907 4.007 -0.100 18521 12907 1 14 . 1 1 52 52 LEU C C 52 178.993 178.993 179.085 -0.092 18521 12908 1 14 . 1 1 52 52 LEU CA C 52 57.840 57.840 57.713 0.127 18521 12909 1 14 . 1 1 52 52 LEU CB C 52 42.076 42.076 41.794 0.282 18521 12910 1 14 . 1 1 52 52 LEU H H 52 8.670 8.670 7.678 0.992 18521 12911 1 14 . 1 1 53 53 LEU N N 53 119.996 119.996 120.069 -0.073 18521 12912 1 14 . 1 1 53 53 LEU HA H 53 3.949 3.949 3.787 0.162 18521 12913 1 14 . 1 1 53 53 LEU C C 53 179.950 179.950 179.043 0.907 18521 12914 1 14 . 1 1 53 53 LEU CA C 53 58.480 58.480 58.135 0.345 18521 12915 1 14 . 1 1 53 53 LEU CB C 53 41.341 41.341 41.071 0.270 18521 12916 1 14 . 1 1 53 53 LEU H H 53 8.336 8.336 7.655 0.681 18521 12917 1 14 . 1 1 54 54 ASP N N 54 120.632 120.632 119.123 1.509 18521 12918 1 14 . 1 1 54 54 ASP HA H 54 4.409 4.409 4.467 -0.058 18521 12919 1 14 . 1 1 54 54 ASP C C 54 179.383 179.383 178.912 0.471 18521 12920 1 14 . 1 1 54 54 ASP CA C 54 57.510 57.510 57.343 0.167 18521 12921 1 14 . 1 1 54 54 ASP CB C 54 40.275 40.275 40.024 0.251 18521 12922 1 14 . 1 1 54 54 ASP H H 54 7.884 7.884 7.814 0.070 18521 12923 1 14 . 1 1 55 55 THR N N 55 121.006 121.006 117.706 3.300 18521 12924 1 14 . 1 1 55 55 THR HA H 55 3.923 3.923 4.152 -0.229 18521 12925 1 14 . 1 1 55 55 THR C C 55 177.066 177.066 176.880 0.186 18521 12926 1 14 . 1 1 55 55 THR CA C 55 67.018 67.018 66.380 0.637 18521 12927 1 14 . 1 1 55 55 THR CB C 55 68.725 68.725 68.565 0.160 18521 12928 1 14 . 1 1 55 55 THR H H 55 8.279 8.279 7.574 0.705 18521 12929 1 14 . 1 1 56 56 ILE N N 56 125.465 125.465 123.010 2.455 18521 12930 1 14 . 1 1 56 56 ILE HA H 56 3.748 3.748 3.828 -0.080 18521 12931 1 14 . 1 1 56 56 ILE C C 56 177.879 177.879 178.243 -0.364 18521 12932 1 14 . 1 1 56 56 ILE CA C 56 65.765 65.765 66.559 -0.794 18521 12933 1 14 . 1 1 56 56 ILE CB C 56 38.646 38.646 37.891 0.756 18521 12934 1 14 . 1 1 56 56 ILE H H 56 8.872 8.872 8.794 0.078 18521 12935 1 14 . 1 1 57 57 GLU N N 57 119.951 119.951 119.508 0.443 18521 12936 1 14 . 1 1 57 57 GLU HA H 57 4.034 4.034 4.010 0.024 18521 12937 1 14 . 1 1 57 57 GLU C C 57 179.357 179.357 179.087 0.270 18521 12938 1 14 . 1 1 57 57 GLU CA C 57 59.241 59.241 59.773 -0.532 18521 12939 1 14 . 1 1 57 57 GLU CB C 57 29.226 29.226 29.454 -0.228 18521 12940 1 14 . 1 1 57 57 GLU H H 57 8.024 8.024 8.508 -0.484 18521 12941 1 14 . 1 1 58 58 ALA N N 58 122.402 122.402 122.676 -0.274 18521 12942 1 14 . 1 1 58 58 ALA HA H 58 4.044 4.044 4.168 -0.124 18521 12943 1 14 . 1 1 58 58 ALA C C 58 180.049 180.049 179.556 0.493 18521 12944 1 14 . 1 1 58 58 ALA CA C 58 55.167 55.167 54.974 0.193 18521 12945 1 14 . 1 1 58 58 ALA CB C 58 17.836 17.836 18.391 -0.555 18521 12946 1 14 . 1 1 58 58 ALA H H 58 8.026 8.026 8.191 -0.165 18521 12947 1 14 . 1 1 59 59 PHE N N 59 122.034 122.034 120.674 1.360 18521 12948 1 14 . 1 1 59 59 PHE HA H 59 4.165 4.165 4.169 -0.004 18521 12949 1 14 . 1 1 59 59 PHE C C 59 177.169 177.169 177.295 -0.126 18521 12950 1 14 . 1 1 59 59 PHE CA C 59 61.373 61.373 61.477 -0.104 18521 12951 1 14 . 1 1 59 59 PHE CB C 59 39.384 39.384 39.550 -0.166 18521 12952 1 14 . 1 1 59 59 PHE H H 59 8.243 8.243 8.941 -0.698 18521 12953 1 14 . 1 1 60 60 LYS N N 60 117.415 117.415 119.444 -2.029 18521 12954 1 14 . 1 1 60 60 LYS HA H 60 3.490 3.490 3.663 -0.173 18521 12955 1 14 . 1 1 60 60 LYS C C 60 179.705 179.705 178.729 0.976 18521 12956 1 14 . 1 1 60 60 LYS CA C 60 60.051 60.051 59.559 0.491 18521 12957 1 14 . 1 1 60 60 LYS CB C 60 32.376 32.376 32.505 -0.129 18521 12958 1 14 . 1 1 60 60 LYS H H 60 7.978 7.978 8.576 -0.598 18521 12959 1 14 . 1 1 61 61 LYS N N 61 119.540 119.540 117.992 1.548 18521 12960 1 14 . 1 1 61 61 LYS HA H 61 3.942 3.942 3.965 -0.023 18521 12961 1 14 . 1 1 61 61 LYS C C 61 178.728 178.728 178.856 -0.128 18521 12962 1 14 . 1 1 61 61 LYS CA C 61 58.878 58.878 59.474 -0.596 18521 12963 1 14 . 1 1 61 61 LYS CB C 61 32.626 32.626 32.261 0.365 18521 12964 1 14 . 1 1 61 61 LYS H H 61 7.853 7.853 7.940 -0.087 18521 12965 1 14 . 1 1 62 62 GLU N N 62 121.166 121.166 117.226 3.940 18521 12966 1 14 . 1 1 62 62 GLU HA H 62 3.933 3.933 4.025 -0.092 18521 12967 1 14 . 1 1 62 62 GLU C C 62 178.405 178.405 177.297 1.108 18521 12968 1 14 . 1 1 62 62 GLU CA C 62 58.655 58.655 58.489 0.166 18521 12969 1 14 . 1 1 62 62 GLU CB C 62 29.439 29.439 29.678 -0.239 18521 12970 1 14 . 1 1 62 62 GLU H H 62 7.956 7.956 7.714 0.242 18521 12971 1 14 . 1 1 63 63 ILE N N 63 117.896 117.896 116.423 1.473 18521 12972 1 14 . 1 1 63 63 ILE HA H 63 3.707 3.707 4.152 -0.445 18521 12973 1 14 . 1 1 63 63 ILE C C 63 177.438 177.438 176.776 0.662 18521 12974 1 14 . 1 1 63 63 ILE CA C 63 61.473 61.473 60.331 1.142 18521 12975 1 14 . 1 1 63 63 ILE CB C 63 36.546 36.546 38.871 -2.325 18521 12976 1 14 . 1 1 63 63 ILE H H 63 7.652 7.652 7.309 0.343 18521 12977 1 14 . 1 1 64 64 GLY N N 64 108.028 108.028 109.267 -1.239 18521 12978 1 14 . 1 1 64 64 GLY C C 64 175.261 175.261 175.009 0.252 18521 12979 1 14 . 1 1 64 64 GLY CA C 64 45.891 45.891 46.827 -0.936 18521 12980 1 14 . 1 1 64 64 GLY H H 64 7.654 7.654 8.284 -0.630 18521 12981 1 14 . 1 1 65 65 GLY N N 65 108.488 108.488 107.399 1.089 18521 12982 1 14 . 1 1 65 65 GLY C C 65 174.844 174.844 175.337 -0.493 18521 12983 1 14 . 1 1 65 65 GLY CA C 65 45.608 45.608 45.182 0.426 18521 12984 1 14 . 1 1 65 65 GLY H H 65 7.817 7.817 8.100 -0.283 18521 12985 1 14 . 1 1 66 66 GLU N N 66 121.078 121.078 118.580 2.498 18521 12986 1 14 . 1 1 66 66 GLU HA H 66 4.167 4.167 4.136 0.031 18521 12987 1 14 . 1 1 66 66 GLU C C 66 177.218 177.218 176.918 0.300 18521 12988 1 14 . 1 1 66 66 GLU CA C 66 57.075 57.075 58.794 -1.719 18521 12989 1 14 . 1 1 66 66 GLU CB C 66 30.015 30.015 29.853 0.162 18521 12990 1 14 . 1 1 66 66 GLU H H 66 8.195 8.195 8.567 -0.372 18521 12991 1 14 . 1 1 67 67 SER N N 67 116.370 116.370 110.665 5.705 18521 12992 1 14 . 1 1 67 67 SER HA H 67 4.187 4.187 4.524 -0.337 18521 12993 1 14 . 1 1 67 67 SER C C 67 174.670 174.670 175.470 -0.800 18521 12994 1 14 . 1 1 67 67 SER CA C 67 58.875 58.875 59.756 -0.881 18521 12995 1 14 . 1 1 67 67 SER CB C 67 63.783 63.783 63.619 0.164 18521 12996 1 14 . 1 1 67 67 SER H H 67 8.205 8.205 8.213 -0.008 18521 12997 1 14 . 1 1 68 68 GLU N N 68 122.388 122.388 122.574 -0.186 18521 12998 1 14 . 1 1 68 68 GLU HA H 68 4.173 4.173 4.114 0.059 18521 12999 1 14 . 1 1 68 68 GLU C C 68 176.364 176.364 178.128 -1.764 18521 13000 1 14 . 1 1 68 68 GLU CA C 68 56.734 56.734 58.940 -2.206 18521 13001 1 14 . 1 1 68 68 GLU CB C 68 29.986 29.986 29.332 0.653 18521 13002 1 14 . 1 1 68 68 GLU H H 68 8.170 8.170 8.801 -0.631 18521 13003 1 14 . 1 1 69 69 ALA N N 69 124.265 124.265 120.606 3.659 18521 13004 1 14 . 1 1 69 69 ALA HA H 69 4.212 4.212 4.360 -0.148 18521 13005 1 14 . 1 1 69 69 ALA C C 69 178.042 178.042 178.999 -0.957 18521 13006 1 14 . 1 1 69 69 ALA CA C 69 52.468 52.468 54.522 -2.054 18521 13007 1 14 . 1 1 69 69 ALA CB C 69 19.411 19.411 18.275 1.136 18521 13008 1 14 . 1 1 69 69 ALA H H 69 7.931 7.931 7.961 -0.030 18521 13009 1 14 . 1 1 70 70 GLU N N 70 121.086 121.086 117.774 3.312 18521 13010 1 14 . 1 1 70 70 GLU HA H 70 4.110 4.110 4.063 0.047 18521 13011 1 14 . 1 1 70 70 GLU C C 70 180.047 180.047 178.216 1.831 18521 13012 1 14 . 1 1 70 70 GLU CA C 70 57.325 57.325 58.888 -1.563 18521 13013 1 14 . 1 1 70 70 GLU CB C 70 29.969 29.969 29.531 0.438 18521 13014 1 14 . 1 1 70 70 GLU H H 70 8.447 8.447 7.759 0.688 18521 13015 1 14 . 1 1 71 71 ASP N N 71 120.210 120.210 118.012 2.198 18521 13016 1 14 . 1 1 71 71 ASP HA H 71 4.545 4.545 4.473 0.072 18521 13017 1 14 . 1 1 71 71 ASP C C 71 176.385 176.385 176.763 -0.378 18521 13018 1 14 . 1 1 71 71 ASP CA C 71 54.149 54.149 56.282 -2.133 18521 13019 1 14 . 1 1 71 71 ASP CB C 71 40.756 40.756 41.146 -0.390 18521 13020 1 14 . 1 1 71 71 ASP H H 71 8.308 8.308 7.667 0.641 18521 13021 1 14 . 1 1 72 72 SER N N 72 116.137 116.137 112.235 3.902 18521 13022 1 14 . 1 1 72 72 SER HA H 72 4.259 4.259 4.589 -0.330 18521 13023 1 14 . 1 1 72 72 SER C C 72 174.578 174.578 173.050 1.528 18521 13024 1 14 . 1 1 72 72 SER CA C 72 58.851 58.851 58.203 0.648 18521 13025 1 14 . 1 1 72 72 SER CB C 72 63.870 63.870 63.519 0.351 18521 13026 1 14 . 1 1 72 72 SER H H 72 7.954 7.954 7.840 0.114 18521 13027 1 14 . 1 1 73 73 ASP N N 73 122.500 122.500 127.502 -5.002 18521 13028 1 14 . 1 1 73 73 ASP HA H 73 4.534 4.534 4.727 -0.193 18521 13029 1 14 . 1 1 73 73 ASP C C 73 176.903 176.903 176.457 0.446 18521 13030 1 14 . 1 1 73 73 ASP CA C 73 54.442 54.442 53.673 0.769 18521 13031 1 14 . 1 1 73 73 ASP CB C 73 41.253 41.253 40.492 0.761 18521 13032 1 14 . 1 1 73 73 ASP H H 73 8.384 8.384 8.824 -0.440 18521 13033 1 14 . 1 1 74 74 LYS N N 74 123.374 123.374 119.247 4.127 18521 13034 1 14 . 1 1 74 74 LYS HA H 74 4.099 4.099 4.378 -0.279 18521 13035 1 14 . 1 1 74 74 LYS C C 74 177.606 177.606 178.418 -0.812 18521 13036 1 14 . 1 1 74 74 LYS CA C 74 57.527 57.527 58.479 -0.952 18521 13037 1 14 . 1 1 74 74 LYS CB C 74 32.115 32.115 33.339 -1.224 18521 13038 1 14 . 1 1 74 74 LYS H H 74 8.338 8.338 7.693 0.645 18521 13039 1 14 . 1 1 75 75 SER N N 75 116.404 116.404 115.513 0.891 18521 13040 1 14 . 1 1 75 75 SER HA H 75 4.190 4.190 4.256 -0.066 18521 13041 1 14 . 1 1 75 75 SER C C 75 176.030 176.030 176.525 -0.495 18521 13042 1 14 . 1 1 75 75 SER CA C 75 60.560 60.560 60.988 -0.428 18521 13043 1 14 . 1 1 75 75 SER CB C 75 62.971 62.971 63.216 -0.245 18521 13044 1 14 . 1 1 75 75 SER H H 75 8.409 8.409 8.297 0.112 18521 13045 1 14 . 1 1 76 76 LEU N N 76 123.753 123.753 123.169 0.584 18521 13046 1 14 . 1 1 76 76 LEU HA H 76 4.121 4.121 4.112 0.009 18521 13047 1 14 . 1 1 76 76 LEU C C 76 178.263 178.263 177.690 0.573 18521 13048 1 14 . 1 1 76 76 LEU CA C 76 56.665 56.665 57.275 -0.610 18521 13049 1 14 . 1 1 76 76 LEU CB C 76 41.538 41.538 41.782 -0.244 18521 13050 1 14 . 1 1 76 76 LEU H H 76 8.068 8.068 7.899 0.169 18521 13051 1 14 . 1 1 77 77 HIS N N 77 120.235 120.235 118.047 2.188 18521 13052 1 14 . 1 1 77 77 HIS HA H 77 4.372 4.372 4.181 0.191 18521 13053 1 14 . 1 1 77 77 HIS C C 77 177.974 177.974 177.109 0.865 18521 13054 1 14 . 1 1 77 77 HIS CA C 77 58.504 58.504 59.798 -1.294 18521 13055 1 14 . 1 1 77 77 HIS CB C 77 30.124 30.124 29.505 0.619 18521 13056 1 14 . 1 1 77 77 HIS H H 77 7.955 7.955 8.163 -0.208 18521 13057 1 14 . 1 1 78 78 VAL N N 78 121.721 121.721 120.292 1.429 18521 13058 1 14 . 1 1 78 78 VAL HA H 78 3.612 3.612 3.669 -0.057 18521 13059 1 14 . 1 1 78 78 VAL C C 78 177.688 177.688 177.768 -0.080 18521 13060 1 14 . 1 1 78 78 VAL CA C 78 65.817 65.817 65.761 0.056 18521 13061 1 14 . 1 1 78 78 VAL CB C 78 31.729 31.729 31.400 0.329 18521 13062 1 14 . 1 1 78 78 VAL H H 78 7.953 7.953 7.544 0.409 18521 13063 1 14 . 1 1 79 79 MET N N 79 119.138 119.138 118.706 0.432 18521 13064 1 14 . 1 1 79 79 MET HA H 79 3.879 3.879 3.989 -0.110 18521 13065 1 14 . 1 1 79 79 MET C C 79 180.609 180.609 177.868 2.741 18521 13066 1 14 . 1 1 79 79 MET CA C 79 59.210 59.210 59.187 0.023 18521 13067 1 14 . 1 1 79 79 MET CB C 79 34.157 34.157 32.259 1.898 18521 13068 1 14 . 1 1 79 79 MET H H 79 8.132 8.132 8.000 0.132 18521 13069 1 14 . 1 1 80 80 ASN N N 80 117.000 117.000 117.078 -0.078 18521 13070 1 14 . 1 1 80 80 ASN HA H 80 4.161 4.161 4.524 -0.363 18521 13071 1 14 . 1 1 80 80 ASN C C 80 178.212 178.212 176.953 1.259 18521 13072 1 14 . 1 1 80 80 ASN CA C 80 56.827 56.827 56.867 -0.041 18521 13073 1 14 . 1 1 80 80 ASN CB C 80 38.920 38.920 37.904 1.016 18521 13074 1 14 . 1 1 80 80 ASN H H 80 8.195 8.195 8.427 -0.232 18521 13075 1 14 . 1 1 81 81 THR N N 81 116.021 116.021 117.532 -1.511 18521 13076 1 14 . 1 1 81 81 THR HA H 81 3.975 3.975 4.039 -0.064 18521 13077 1 14 . 1 1 81 81 THR C C 81 175.237 175.237 176.660 -1.423 18521 13078 1 14 . 1 1 81 81 THR CA C 81 66.507 66.507 66.997 -0.490 18521 13079 1 14 . 1 1 81 81 THR CB C 81 68.813 68.813 68.433 0.380 18521 13080 1 14 . 1 1 81 81 THR H H 81 7.952 7.952 7.912 0.040 18521 13081 1 14 . 1 1 82 82 LEU N N 82 119.041 119.041 120.135 -1.094 18521 13082 1 14 . 1 1 82 82 LEU HA H 82 4.040 4.040 4.057 -0.017 18521 13083 1 14 . 1 1 82 82 LEU C C 82 177.541 177.541 178.187 -0.646 18521 13084 1 14 . 1 1 82 82 LEU CA C 82 56.468 56.468 57.641 -1.173 18521 13085 1 14 . 1 1 82 82 LEU CB C 82 42.247 42.247 41.835 0.412 18521 13086 1 14 . 1 1 82 82 LEU H H 82 7.655 7.655 7.512 0.143 18521 13087 1 14 . 1 1 83 83 ILE N N 83 118.063 118.063 115.240 2.823 18521 13088 1 14 . 1 1 83 83 ILE HA H 83 3.805 3.805 3.935 -0.130 18521 13089 1 14 . 1 1 83 83 ILE C C 83 176.681 176.681 177.286 -0.605 18521 13090 1 14 . 1 1 83 83 ILE CA C 83 63.188 63.188 63.584 -0.396 18521 13091 1 14 . 1 1 83 83 ILE CB C 83 37.939 37.939 38.486 -0.547 18521 13092 1 14 . 1 1 83 83 ILE H H 83 7.455 7.455 7.143 0.312 18521 13093 1 14 . 1 1 84 84 HIS N N 84 116.118 116.118 115.396 0.722 18521 13094 1 14 . 1 1 84 84 HIS HA H 84 4.568 4.568 4.467 0.101 18521 13095 1 14 . 1 1 84 84 HIS C C 84 175.568 175.568 175.657 -0.089 18521 13096 1 14 . 1 1 84 84 HIS CA C 84 58.425 58.425 58.835 -0.410 18521 13097 1 14 . 1 1 84 84 HIS CB C 84 31.801 31.801 30.872 0.929 18521 13098 1 14 . 1 1 84 84 HIS H H 84 7.168 7.168 8.503 -1.335 18521 13099 1 14 . 1 1 85 85 ASP N N 85 122.411 122.411 119.936 2.475 18521 13100 1 14 . 1 1 85 85 ASP HA H 85 4.546 4.546 4.707 -0.161 18521 13101 1 14 . 1 1 85 85 ASP C C 85 175.527 175.527 176.820 -1.293 18521 13102 1 14 . 1 1 85 85 ASP CA C 85 53.215 53.215 53.408 -0.193 18521 13103 1 14 . 1 1 85 85 ASP CB C 85 40.936 40.936 40.705 0.231 18521 13104 1 14 . 1 1 85 85 ASP H H 85 8.576 8.576 8.022 0.554 18521 13105 1 14 . 1 1 86 86 GLN N N 86 122.561 122.561 126.737 -4.176 18521 13106 1 14 . 1 1 86 86 GLN HA H 86 4.077 4.077 4.119 -0.042 18521 13107 1 14 . 1 1 86 86 GLN C C 86 178.518 178.518 178.172 0.346 18521 13108 1 14 . 1 1 86 86 GLN CA C 86 57.816 57.816 58.540 -0.724 18521 13109 1 14 . 1 1 86 86 GLN CB C 86 29.165 29.165 28.649 0.516 18521 13110 1 14 . 1 1 86 86 GLN H H 86 8.715 8.715 8.412 0.303 18521 13111 1 14 . 1 1 87 87 GLU N N 87 121.616 121.616 120.341 1.275 18521 13112 1 14 . 1 1 87 87 GLU HA H 87 4.042 4.042 3.720 0.322 18521 13113 1 14 . 1 1 87 87 GLU C C 87 178.154 178.154 178.215 -0.061 18521 13114 1 14 . 1 1 87 87 GLU CA C 87 59.051 59.051 59.700 -0.650 18521 13115 1 14 . 1 1 87 87 GLU CB C 87 29.231 29.231 28.983 0.249 18521 13116 1 14 . 1 1 87 87 GLU H H 87 8.073 8.073 7.857 0.216 18521 13117 1 14 . 1 1 88 88 LYS N N 88 119.006 119.006 119.293 -0.287 18521 13118 1 14 . 1 1 88 88 LYS HA H 88 3.754 3.754 4.061 -0.307 18521 13119 1 14 . 1 1 88 88 LYS C C 88 177.129 177.129 178.650 -1.521 18521 13120 1 14 . 1 1 88 88 LYS CA C 88 59.721 59.721 59.159 0.562 18521 13121 1 14 . 1 1 88 88 LYS CB C 88 32.253 32.253 32.242 0.011 18521 13122 1 14 . 1 1 88 88 LYS H H 88 7.525 7.525 8.333 -0.808 18521 13123 1 14 . 1 1 89 89 ALA N N 89 121.945 121.945 121.587 0.358 18521 13124 1 14 . 1 1 89 89 ALA HA H 89 3.734 3.734 4.065 -0.331 18521 13125 1 14 . 1 1 89 89 ALA C C 89 177.545 177.545 179.018 -1.473 18521 13126 1 14 . 1 1 89 89 ALA CA C 89 55.977 55.977 55.177 0.800 18521 13127 1 14 . 1 1 89 89 ALA CB C 89 18.763 18.763 18.075 0.689 18521 13128 1 14 . 1 1 89 89 ALA H H 89 8.472 8.472 8.052 0.420 18521 13129 1 14 . 1 1 90 90 LYS N N 90 117.743 117.743 118.896 -1.153 18521 13130 1 14 . 1 1 90 90 LYS HA H 90 4.015 4.015 2.760 1.255 18521 13131 1 14 . 1 1 90 90 LYS C C 90 177.667 177.667 178.611 -0.944 18521 13132 1 14 . 1 1 90 90 LYS CA C 90 58.703 58.703 58.651 0.052 18521 13133 1 14 . 1 1 90 90 LYS CB C 90 32.779 32.779 31.455 1.324 18521 13134 1 14 . 1 1 90 90 LYS H H 90 6.684 6.684 7.721 -1.037 18521 13135 1 14 . 1 1 91 91 ILE N N 91 117.216 117.216 118.491 -1.275 18521 13136 1 14 . 1 1 91 91 ILE HA H 91 3.414 3.414 3.658 -0.244 18521 13137 1 14 . 1 1 91 91 ILE C C 91 178.422 178.422 177.845 0.577 18521 13138 1 14 . 1 1 91 91 ILE CA C 91 64.094 64.094 65.156 -1.062 18521 13139 1 14 . 1 1 91 91 ILE CB C 91 37.481 37.481 37.763 -0.282 18521 13140 1 14 . 1 1 91 91 ILE H H 91 7.196 7.196 7.378 -0.182 18521 13141 1 14 . 1 1 92 92 TYR N N 92 122.201 122.201 121.192 1.009 18521 13142 1 14 . 1 1 92 92 TYR HA H 92 4.047 4.047 4.047 0.000 18521 13143 1 14 . 1 1 92 92 TYR C C 92 177.726 177.726 177.435 0.291 18521 13144 1 14 . 1 1 92 92 TYR CA C 92 61.771 61.771 61.696 0.075 18521 13145 1 14 . 1 1 92 92 TYR CB C 92 39.295 39.295 38.309 0.987 18521 13146 1 14 . 1 1 92 92 TYR H H 92 8.466 8.466 7.706 0.760 18521 13147 1 14 . 1 1 93 93 MET N N 93 117.420 117.420 119.585 -2.165 18521 13148 1 14 . 1 1 93 93 MET HA H 93 3.896 3.896 3.904 -0.008 18521 13149 1 14 . 1 1 93 93 MET C C 93 180.221 180.221 177.733 2.488 18521 13150 1 14 . 1 1 93 93 MET CA C 93 57.586 57.586 58.106 -0.520 18521 13151 1 14 . 1 1 93 93 MET CB C 93 30.854 30.854 32.143 -1.289 18521 13152 1 14 . 1 1 93 93 MET H H 93 8.269 8.269 8.703 -0.434 18521 13153 1 14 . 1 1 94 94 LEU N N 94 125.183 125.183 120.638 4.545 18521 13154 1 14 . 1 1 94 94 LEU HA H 94 3.826 3.826 3.896 -0.070 18521 13155 1 14 . 1 1 94 94 LEU C C 94 177.787 177.787 178.283 -0.496 18521 13156 1 14 . 1 1 94 94 LEU CA C 94 58.729 58.729 58.605 0.124 18521 13157 1 14 . 1 1 94 94 LEU CB C 94 42.188 42.188 41.502 0.686 18521 13158 1 14 . 1 1 94 94 LEU H H 94 8.733 8.733 8.028 0.705 18521 13159 1 14 . 1 1 95 95 ASN N N 95 121.517 121.517 118.576 2.941 18521 13160 1 14 . 1 1 95 95 ASN HA H 95 4.184 4.184 4.349 -0.165 18521 13161 1 14 . 1 1 95 95 ASN C C 95 178.481 178.481 177.884 0.597 18521 13162 1 14 . 1 1 95 95 ASN CA C 95 56.312 56.312 56.008 0.304 18521 13163 1 14 . 1 1 95 95 ASN H H 95 8.951 8.951 8.405 0.546 18521 13164 1 14 . 1 1 96 96 PHE N N 96 122.778 122.778 121.431 1.347 18521 13165 1 14 . 1 1 96 96 PHE HA H 96 4.341 4.341 4.149 0.192 18521 13166 1 14 . 1 1 96 96 PHE C C 96 177.925 177.925 176.947 0.978 18521 13167 1 14 . 1 1 96 96 PHE CA C 96 62.427 62.427 61.933 0.494 18521 13168 1 14 . 1 1 96 96 PHE H H 96 8.454 8.454 8.677 -0.223 18521 13169 1 14 . 1 1 97 97 THR N N 97 117.115 117.115 116.623 0.492 18521 13170 1 14 . 1 1 97 97 THR HA H 97 3.369 3.369 3.799 -0.430 18521 13171 1 14 . 1 1 97 97 THR C C 97 176.185 176.185 176.930 -0.745 18521 13172 1 14 . 1 1 97 97 THR CA C 97 68.090 68.090 66.794 1.296 18521 13173 1 14 . 1 1 97 97 THR CB C 97 68.087 68.087 68.269 -0.182 18521 13174 1 14 . 1 1 97 97 THR H H 97 8.209 8.209 8.602 -0.394 18521 13175 1 14 . 1 1 98 98 MET N N 98 119.373 119.373 120.486 -1.113 18521 13176 1 14 . 1 1 98 98 MET HA H 98 4.360 4.360 4.253 0.107 18521 13177 1 14 . 1 1 98 98 MET C C 98 177.887 177.887 178.352 -0.465 18521 13178 1 14 . 1 1 98 98 MET CA C 98 58.143 58.143 57.660 0.483 18521 13179 1 14 . 1 1 98 98 MET CB C 98 31.948 31.948 30.944 1.004 18521 13180 1 14 . 1 1 98 98 MET H H 98 8.958 8.958 8.938 0.020 18521 13181 1 14 . 1 1 99 99 SER N N 99 114.517 114.517 116.035 -1.518 18521 13182 1 14 . 1 1 99 99 SER HA H 99 4.043 4.043 4.170 -0.127 18521 13183 1 14 . 1 1 99 99 SER C C 99 176.195 176.195 176.820 -0.625 18521 13184 1 14 . 1 1 99 99 SER CA C 99 62.481 62.481 61.434 1.047 18521 13185 1 14 . 1 1 99 99 SER CB C 99 62.692 62.692 62.760 -0.068 18521 13186 1 14 . 1 1 99 99 SER H H 99 7.708 7.708 7.966 -0.258 18521 13187 1 14 . 1 1 100 100 LEU N N 100 125.126 125.126 123.676 1.450 18521 13188 1 14 . 1 1 100 100 LEU HA H 100 3.913 3.913 4.008 -0.095 18521 13189 1 14 . 1 1 100 100 LEU C C 100 177.327 177.327 178.249 -0.922 18521 13190 1 14 . 1 1 100 100 LEU CA C 100 58.005 58.005 57.319 0.686 18521 13191 1 14 . 1 1 100 100 LEU CB C 100 41.841 41.841 41.479 0.362 18521 13192 1 14 . 1 1 100 100 LEU H H 100 7.277 7.277 7.696 -0.419 18521 13193 1 14 . 1 1 101 101 TYR N N 101 120.940 120.940 119.741 1.199 18521 13194 1 14 . 1 1 101 101 TYR HA H 101 4.143 4.143 4.236 -0.093 18521 13195 1 14 . 1 1 101 101 TYR C C 101 176.784 176.784 177.480 -0.696 18521 13196 1 14 . 1 1 101 101 TYR CA C 101 61.543 61.543 59.917 1.626 18521 13197 1 14 . 1 1 101 101 TYR CB C 101 40.909 40.909 38.201 2.708 18521 13198 1 14 . 1 1 101 101 TYR H H 101 8.858 8.858 8.921 -0.063 18521 13199 1 14 . 1 1 102 102 ASN N N 102 119.067 119.067 117.647 1.420 18521 13200 1 14 . 1 1 102 102 ASN HA H 102 4.116 4.116 4.052 0.064 18521 13201 1 14 . 1 1 102 102 ASN C C 102 178.713 178.713 177.202 1.511 18521 13202 1 14 . 1 1 102 102 ASN CA C 102 55.734 55.734 55.856 -0.122 18521 13203 1 14 . 1 1 102 102 ASN H H 102 8.700 8.700 8.812 -0.112 18521 13204 1 14 . 1 1 103 103 GLU N N 103 119.558 119.558 120.268 -0.710 18521 13205 1 14 . 1 1 103 103 GLU HA H 103 3.944 3.944 3.921 0.023 18521 13206 1 14 . 1 1 103 103 GLU C C 103 179.012 179.012 178.816 0.196 18521 13207 1 14 . 1 1 103 103 GLU CA C 103 59.506 59.506 59.726 -0.220 18521 13208 1 14 . 1 1 103 103 GLU CB C 103 29.349 29.349 29.530 -0.181 18521 13209 1 14 . 1 1 103 103 GLU H H 103 7.599 7.599 7.904 -0.305 18521 13210 1 14 . 1 1 104 104 LYS N N 104 120.218 120.218 118.414 1.804 18521 13211 1 14 . 1 1 104 104 LYS HA H 104 4.051 4.051 4.060 -0.009 18521 13212 1 14 . 1 1 104 104 LYS C C 104 178.477 178.477 179.018 -0.541 18521 13213 1 14 . 1 1 104 104 LYS CA C 104 56.534 56.534 58.005 -1.470 18521 13214 1 14 . 1 1 104 104 LYS CB C 104 29.108 29.108 32.053 -2.946 18521 13215 1 14 . 1 1 104 104 LYS H H 104 8.311 8.311 7.481 0.830 18521 13216 1 14 . 1 1 105 105 LEU N N 105 122.110 122.110 119.998 2.112 18521 13217 1 14 . 1 1 105 105 LEU HA H 105 3.774 3.774 3.874 -0.100 18521 13218 1 14 . 1 1 105 105 LEU C C 105 180.224 180.224 178.768 1.456 18521 13219 1 14 . 1 1 105 105 LEU CA C 105 58.148 58.148 57.516 0.632 18521 13220 1 14 . 1 1 105 105 LEU CB C 105 42.394 42.394 41.182 1.212 18521 13221 1 14 . 1 1 105 105 LEU H H 105 8.604 8.604 7.870 0.734 18521 13222 1 14 . 1 1 106 106 LYS N N 106 119.031 119.031 119.291 -0.260 18521 13223 1 14 . 1 1 106 106 LYS HA H 106 4.035 4.035 3.850 0.185 18521 13224 1 14 . 1 1 106 106 LYS C C 106 178.496 178.496 179.629 -1.133 18521 13225 1 14 . 1 1 106 106 LYS CA C 106 59.820 59.820 59.333 0.487 18521 13226 1 14 . 1 1 106 106 LYS CB C 106 31.956 31.956 32.163 -0.207 18521 13227 1 14 . 1 1 106 106 LYS H H 106 7.339 7.339 7.985 -0.646 18521 13228 1 14 . 1 1 107 107 GLN N N 107 121.417 121.417 118.249 3.168 18521 13229 1 14 . 1 1 107 107 GLN HA H 107 3.744 3.744 3.834 -0.090 18521 13230 1 14 . 1 1 107 107 GLN C C 107 178.103 178.103 178.458 -0.355 18521 13231 1 14 . 1 1 107 107 GLN CA C 107 58.582 58.582 58.111 0.471 18521 13232 1 14 . 1 1 107 107 GLN CB C 107 26.969 26.969 27.847 -0.878 18521 13233 1 14 . 1 1 107 107 GLN H H 107 7.590 7.590 7.589 0.001 18521 13234 1 14 . 1 1 108 108 LEU N N 108 120.629 120.629 118.820 1.809 18521 13235 1 14 . 1 1 108 108 LEU HA H 108 3.806 3.806 4.474 -0.668 18521 13236 1 14 . 1 1 108 108 LEU C C 108 178.978 178.978 178.512 0.466 18521 13237 1 14 . 1 1 108 108 LEU CA C 108 58.306 58.306 57.363 0.943 18521 13238 1 14 . 1 1 108 108 LEU CB C 108 42.112 42.112 41.784 0.328 18521 13239 1 14 . 1 1 108 108 LEU H H 108 8.450 8.450 7.354 1.096 18521 13240 1 14 . 1 1 109 109 LYS N N 109 119.584 119.584 117.503 2.081 18521 13241 1 14 . 1 1 109 109 LYS HA H 109 4.166 4.166 4.086 0.080 18521 13242 1 14 . 1 1 109 109 LYS C C 109 177.859 177.859 177.115 0.744 18521 13243 1 14 . 1 1 109 109 LYS CA C 109 58.746 58.746 58.738 0.008 18521 13244 1 14 . 1 1 109 109 LYS CB C 109 32.637 32.637 32.739 -0.102 18521 13245 1 14 . 1 1 109 109 LYS H H 109 7.295 7.295 7.824 -0.529 18521 13246 1 14 . 1 1 110 110 ASP N N 110 116.950 116.950 113.257 3.693 18521 13247 1 14 . 1 1 110 110 ASP HA H 110 4.604 4.604 4.978 -0.374 18521 13248 1 14 . 1 1 110 110 ASP C C 110 177.157 177.157 174.992 2.165 18521 13249 1 14 . 1 1 110 110 ASP CA C 110 55.768 55.768 54.345 1.423 18521 13250 1 14 . 1 1 110 110 ASP CB C 110 42.724 42.724 43.474 -0.750 18521 13251 1 14 . 1 1 110 110 ASP H H 110 7.807 7.807 7.698 0.109 18521 13252 1 14 . 1 1 111 111 GLY N N 111 114.046 114.046 110.138 3.908 18521 13253 1 14 . 1 1 111 111 GLY CA C 111 41.845 41.845 44.246 -2.401 18521 13254 1 14 . 1 1 111 111 GLY H H 111 8.554 8.554 7.414 1.140 18521 13255 1 14 . 1 1 112 112 PRO HA H 112 4.552 4.552 4.060 0.492 18521 13256 1 14 . 1 1 112 112 PRO C C 112 174.967 174.967 175.853 -0.886 18521 13257 1 14 . 1 1 112 112 PRO CA C 112 61.222 61.222 62.763 -1.541 18521 13258 1 14 . 1 1 112 112 PRO CB C 112 35.056 35.056 32.257 2.799 18521 13259 1 14 . 1 1 113 113 TRP N N 113 123.139 123.139 122.726 0.413 18521 13260 1 14 . 1 1 113 113 TRP HA H 113 4.650 4.650 4.835 -0.185 18521 13261 1 14 . 1 1 113 113 TRP C C 113 174.604 174.604 175.346 -0.742 18521 13262 1 14 . 1 1 113 113 TRP CA C 113 58.154 58.154 56.715 1.439 18521 13263 1 14 . 1 1 113 113 TRP CB C 113 27.048 27.048 31.110 -4.061 18521 13264 1 14 . 1 1 113 113 TRP H H 113 8.671 8.671 8.555 0.116 18521 13265 1 14 . 1 1 114 114 ASP N N 114 121.440 121.440 119.338 2.102 18521 13266 1 14 . 1 1 114 114 ASP HA H 114 4.930 4.930 4.835 0.095 18521 13267 1 14 . 1 1 114 114 ASP C C 114 176.979 176.979 176.079 0.900 18521 13268 1 14 . 1 1 114 114 ASP CA C 114 52.223 52.223 52.717 -0.494 18521 13269 1 14 . 1 1 114 114 ASP CB C 114 43.192 43.192 42.172 1.020 18521 13270 1 14 . 1 1 114 114 ASP H H 114 6.950 6.950 8.138 -1.188 18521 13271 1 14 . 1 1 115 115 VAL N N 115 118.386 118.386 119.843 -1.457 18521 13272 1 14 . 1 1 115 115 VAL HA H 115 3.825 3.825 3.713 0.112 18521 13273 1 14 . 1 1 115 115 VAL C C 115 177.760 177.760 177.961 -0.201 18521 13274 1 14 . 1 1 115 115 VAL CA C 115 65.611 65.611 65.885 -0.274 18521 13275 1 14 . 1 1 115 115 VAL CB C 115 31.657 31.657 32.169 -0.512 18521 13276 1 14 . 1 1 115 115 VAL H H 115 8.181 8.181 8.293 -0.112 18521 13277 1 14 . 1 1 116 116 MET N N 116 120.354 120.354 119.156 1.198 18521 13278 1 14 . 1 1 116 116 MET HA H 116 4.284 4.284 4.156 0.128 18521 13279 1 14 . 1 1 116 116 MET C C 116 179.336 179.336 178.099 1.237 18521 13280 1 14 . 1 1 116 116 MET CA C 116 57.392 57.392 58.729 -1.337 18521 13281 1 14 . 1 1 116 116 MET CB C 116 30.450 30.450 32.298 -1.848 18521 13282 1 14 . 1 1 116 116 MET H H 116 7.661 7.661 7.961 -0.300 18521 13283 1 14 . 1 1 117 117 LEU N N 117 125.774 125.774 119.959 5.815 18521 13284 1 14 . 1 1 117 117 LEU HA H 117 4.129 4.129 4.051 0.078 18521 13285 1 14 . 1 1 117 117 LEU C C 117 178.399 178.399 178.052 0.347 18521 13286 1 14 . 1 1 117 117 LEU CA C 117 58.353 58.353 58.269 0.084 18521 13287 1 14 . 1 1 117 117 LEU CB C 117 40.392 40.392 41.648 -1.256 18521 13288 1 14 . 1 1 117 117 LEU H H 117 8.179 8.179 8.915 -0.736 18521 13289 1 14 . 1 1 118 118 LYS N N 118 118.471 118.471 119.455 -0.984 18521 13290 1 14 . 1 1 118 118 LYS HA H 118 3.824 3.824 3.936 -0.112 18521 13291 1 14 . 1 1 118 118 LYS C C 118 178.259 178.259 179.075 -0.816 18521 13292 1 14 . 1 1 118 118 LYS CA C 118 60.497 60.497 60.247 0.250 18521 13293 1 14 . 1 1 118 118 LYS CB C 118 32.355 32.355 32.477 -0.122 18521 13294 1 14 . 1 1 118 118 LYS H H 118 7.359 7.359 7.643 -0.284 18521 13295 1 14 . 1 1 119 119 ARG N N 119 117.838 117.838 118.564 -0.726 18521 13296 1 14 . 1 1 119 119 ARG HA H 119 4.158 4.158 4.293 -0.135 18521 13297 1 14 . 1 1 119 119 ARG C C 119 180.132 180.132 179.102 1.030 18521 13298 1 14 . 1 1 119 119 ARG CA C 119 59.535 59.535 59.381 0.154 18521 13299 1 14 . 1 1 119 119 ARG CB C 119 29.994 29.994 30.342 -0.348 18521 13300 1 14 . 1 1 119 119 ARG H H 119 8.316 8.316 8.014 0.302 18521 13301 1 14 . 1 1 120 120 SER N N 120 117.258 117.258 117.149 0.109 18521 13302 1 14 . 1 1 120 120 SER HA H 120 4.374 4.374 4.222 0.152 18521 13303 1 14 . 1 1 120 120 SER C C 120 176.034 176.034 176.801 -0.767 18521 13304 1 14 . 1 1 120 120 SER CA C 120 62.728 62.728 61.881 0.847 18521 13305 1 14 . 1 1 120 120 SER CB C 120 63.050 63.050 63.012 0.038 18521 13306 1 14 . 1 1 120 120 SER H H 120 8.598 8.598 8.248 0.350 18521 13307 1 14 . 1 1 121 121 LEU N N 121 125.307 125.307 121.665 3.642 18521 13308 1 14 . 1 1 121 121 LEU HA H 121 4.192 4.192 4.140 0.052 18521 13309 1 14 . 1 1 121 121 LEU C C 121 179.621 179.621 178.651 0.970 18521 13310 1 14 . 1 1 121 121 LEU CA C 121 58.894 58.894 57.900 0.994 18521 13311 1 14 . 1 1 121 121 LEU CB C 121 41.188 41.188 41.614 -0.425 18521 13312 1 14 . 1 1 121 121 LEU H H 121 8.250 8.250 7.981 0.269 18521 13313 1 14 . 1 1 122 122 TRP N N 122 120.444 120.444 119.569 0.875 18521 13314 1 14 . 1 1 122 122 TRP HA H 122 4.368 4.368 4.329 0.039 18521 13315 1 14 . 1 1 122 122 TRP C C 122 176.943 176.943 178.626 -1.683 18521 13316 1 14 . 1 1 122 122 TRP CA C 122 61.452 61.452 61.599 -0.147 18521 13317 1 14 . 1 1 122 122 TRP CB C 122 29.823 29.823 29.136 0.687 18521 13318 1 14 . 1 1 122 122 TRP H H 122 7.873 7.873 7.616 0.257 18521 13319 1 14 . 1 1 123 123 CYS N N 123 120.188 120.188 119.466 0.722 18521 13320 1 14 . 1 1 123 123 CYS HA H 123 4.264 4.264 4.117 0.147 18521 13321 1 14 . 1 1 123 123 CYS C C 123 176.875 176.875 177.126 -0.251 18521 13322 1 14 . 1 1 123 123 CYS CA C 123 60.573 60.573 63.155 -2.582 18521 13323 1 14 . 1 1 123 123 CYS CB C 123 25.642 25.642 27.515 -1.873 18521 13324 1 14 . 1 1 123 123 CYS H H 123 8.271 8.271 8.040 0.231 18521 13325 1 14 . 1 1 124 124 CYS N N 124 116.760 116.760 119.114 -2.354 18521 13326 1 14 . 1 1 124 124 CYS HA H 124 3.880 3.880 4.012 -0.132 18521 13327 1 14 . 1 1 124 124 CYS C C 124 175.810 175.810 177.014 -1.204 18521 13328 1 14 . 1 1 124 124 CYS CA C 124 65.646 65.646 65.113 0.533 18521 13329 1 14 . 1 1 124 124 CYS CB C 124 28.069 28.069 27.666 0.403 18521 13330 1 14 . 1 1 124 124 CYS H H 124 8.208 8.208 7.862 0.346 18521 13331 1 14 . 1 1 125 125 ILE N N 125 121.167 121.167 121.175 -0.008 18521 13332 1 14 . 1 1 125 125 ILE HA H 125 3.580 3.580 3.757 -0.177 18521 13333 1 14 . 1 1 125 125 ILE C C 125 179.302 179.302 177.612 1.690 18521 13334 1 14 . 1 1 125 125 ILE CA C 125 67.663 67.663 65.924 1.739 18521 13335 1 14 . 1 1 125 125 ILE CB C 125 37.988 37.988 37.495 0.493 18521 13336 1 14 . 1 1 125 125 ILE H H 125 8.073 8.073 8.073 0.000 18521 13337 1 14 . 1 1 126 126 ASP N N 126 124.812 124.812 120.222 4.590 18521 13338 1 14 . 1 1 126 126 ASP HA H 126 4.622 4.622 4.429 0.193 18521 13339 1 14 . 1 1 126 126 ASP C C 126 178.091 178.091 178.975 -0.884 18521 13340 1 14 . 1 1 126 126 ASP CA C 126 58.885 58.885 57.449 1.436 18521 13341 1 14 . 1 1 126 126 ASP CB C 126 40.408 40.408 40.278 0.130 18521 13342 1 14 . 1 1 126 126 ASP H H 126 8.778 8.778 7.764 1.014 18521 13343 1 14 . 1 1 127 127 LEU N N 127 122.531 122.531 119.943 2.588 18521 13344 1 14 . 1 1 127 127 LEU HA H 127 3.841 3.841 3.749 0.092 18521 13345 1 14 . 1 1 127 127 LEU C C 127 179.582 179.582 178.871 0.711 18521 13346 1 14 . 1 1 127 127 LEU CA C 127 58.632 58.632 57.757 0.875 18521 13347 1 14 . 1 1 127 127 LEU CB C 127 42.680 42.680 41.495 1.185 18521 13348 1 14 . 1 1 127 127 LEU H H 127 8.888 8.888 7.318 1.570 18521 13349 1 14 . 1 1 128 128 ILE N N 128 121.311 121.311 119.390 1.921 18521 13350 1 14 . 1 1 128 128 ILE HA H 128 3.938 3.938 3.681 0.257 18521 13351 1 14 . 1 1 128 128 ILE C C 128 176.725 176.725 178.162 -1.437 18521 13352 1 14 . 1 1 128 128 ILE CA C 128 60.922 60.922 65.232 -4.310 18521 13353 1 14 . 1 1 128 128 ILE CB C 128 38.971 38.971 37.195 1.776 18521 13354 1 14 . 1 1 128 128 ILE H H 128 7.469 7.469 7.847 -0.378 18521 13355 1 14 . 1 1 129 129 ASN N N 129 122.727 122.727 118.536 4.191 18521 13356 1 14 . 1 1 129 129 ASN HA H 129 4.582 4.582 4.467 0.115 18521 13357 1 14 . 1 1 129 129 ASN C C 129 177.132 177.132 177.435 -0.303 18521 13358 1 14 . 1 1 129 129 ASN CA C 129 52.982 52.982 57.193 -4.211 18521 13359 1 14 . 1 1 129 129 ASN CB C 129 38.792 38.792 37.674 1.118 18521 13360 1 14 . 1 1 129 129 ASN H H 129 8.173 8.173 8.208 -0.035 18521 13361 1 14 . 1 1 130 130 ILE N N 130 120.527 120.527 121.859 -1.332 18521 13362 1 14 . 1 1 130 130 ILE HA H 130 4.305 4.305 2.995 1.310 18521 13363 1 14 . 1 1 130 130 ILE C C 130 175.796 175.796 177.536 -1.740 18521 13364 1 14 . 1 1 130 130 ILE CA C 130 61.246 61.246 65.904 -4.659 18521 13365 1 14 . 1 1 130 130 ILE CB C 130 38.797 38.797 36.940 1.857 18521 13366 1 14 . 1 1 130 130 ILE H H 130 8.096 8.096 7.191 0.905 18521 13367 1 14 . 1 1 131 131 ASP N N 131 122.165 122.165 120.880 1.285 18521 13368 1 14 . 1 1 131 131 ASP HA H 131 4.416 4.416 3.973 0.443 18521 13369 1 14 . 1 1 131 131 ASP C C 131 176.750 176.750 178.127 -1.377 18521 13370 1 14 . 1 1 131 131 ASP CA C 131 55.955 55.955 58.434 -2.479 18521 13371 1 14 . 1 1 131 131 ASP CB C 131 41.117 41.117 40.691 0.426 18521 13372 1 14 . 1 1 131 131 ASP H H 131 8.157 8.157 7.635 0.522 18521 13373 1 14 . 1 1 132 132 LYS N N 132 119.537 119.537 117.897 1.640 18521 13374 1 14 . 1 1 132 132 LYS HA H 132 4.373 4.373 3.996 0.377 18521 13375 1 14 . 1 1 132 132 LYS C C 132 176.405 176.405 178.201 -1.796 18521 13376 1 14 . 1 1 132 132 LYS CA C 132 55.699 55.699 59.269 -3.570 18521 13377 1 14 . 1 1 132 132 LYS CB C 132 32.822 32.822 32.254 0.568 18521 13378 1 14 . 1 1 132 132 LYS H H 132 8.023 8.023 7.653 0.370 18521 13379 1 14 . 1 1 133 133 LEU N N 133 120.242 120.242 119.847 0.395 18521 13380 1 14 . 1 1 133 133 LEU HA H 133 4.158 4.158 4.305 -0.147 18521 13381 1 14 . 1 1 133 133 LEU C C 133 178.449 178.449 179.782 -1.333 18521 13382 1 14 . 1 1 133 133 LEU CA C 133 57.538 57.538 57.939 -0.401 18521 13383 1 14 . 1 1 133 133 LEU CB C 133 41.572 41.572 42.935 -1.363 18521 13384 1 14 . 1 1 133 133 LEU H H 133 8.024 8.024 7.832 0.192 18521 13385 1 14 . 1 1 134 134 GLN N N 134 117.985 117.985 117.695 0.290 18521 13386 1 14 . 1 1 134 134 GLN HA H 134 4.018 4.018 3.860 0.158 18521 13387 1 14 . 1 1 134 134 GLN C C 134 179.500 179.500 176.866 2.634 18521 13388 1 14 . 1 1 134 134 GLN CA C 134 58.175 58.175 57.850 0.325 18521 13389 1 14 . 1 1 134 134 GLN CB C 134 29.102 29.102 28.287 0.815 18521 13390 1 14 . 1 1 134 134 GLN H H 134 8.536 8.536 8.329 0.207 18521 13391 1 14 . 1 1 135 135 TRP N N 135 115.550 115.550 115.949 -0.399 18521 13392 1 14 . 1 1 135 135 TRP HA H 135 4.991 4.991 4.945 0.046 18521 13393 1 14 . 1 1 135 135 TRP C C 135 175.170 175.170 175.242 -0.072 18521 13394 1 14 . 1 1 135 135 TRP CA C 135 59.426 59.426 55.904 3.522 18521 13395 1 14 . 1 1 135 135 TRP CB C 135 26.894 26.894 28.201 -1.308 18521 13396 1 14 . 1 1 135 135 TRP H H 135 7.727 7.727 7.363 0.364 18521 13397 1 14 . 1 1 136 136 LYS N N 136 119.841 119.841 120.482 -0.641 18521 13398 1 14 . 1 1 136 136 LYS HA H 136 3.830 3.830 4.065 -0.235 18521 13399 1 14 . 1 1 136 136 LYS C C 136 178.330 178.330 178.650 -0.320 18521 13400 1 14 . 1 1 136 136 LYS CA C 136 60.194 60.194 60.228 -0.034 18521 13401 1 14 . 1 1 136 136 LYS CB C 136 32.902 32.902 32.521 0.381 18521 13402 1 14 . 1 1 136 136 LYS H H 136 6.580 6.580 8.124 -1.544 18521 13403 1 14 . 1 1 137 137 GLU N N 137 115.250 115.250 115.623 -0.373 18521 13404 1 14 . 1 1 137 137 GLU HA H 137 4.177 4.177 4.168 0.009 18521 13405 1 14 . 1 1 137 137 GLU C C 137 176.698 176.698 177.035 -0.337 18521 13406 1 14 . 1 1 137 137 GLU CA C 137 57.766 57.766 58.268 -0.502 18521 13407 1 14 . 1 1 137 137 GLU CB C 137 29.221 29.221 29.285 -0.064 18521 13408 1 14 . 1 1 137 137 GLU H H 137 8.549 8.549 8.744 -0.195 18521 13409 1 14 . 1 1 138 138 ASN N N 138 116.578 116.578 115.879 0.699 18521 13410 1 14 . 1 1 138 138 ASN HA H 138 4.943 4.943 4.768 0.175 18521 13411 1 14 . 1 1 138 138 ASN C C 138 173.448 173.448 174.213 -0.765 18521 13412 1 14 . 1 1 138 138 ASN CA C 138 52.681 52.681 53.309 -0.629 18521 13413 1 14 . 1 1 138 138 ASN CB C 138 40.833 40.833 39.415 1.418 18521 13414 1 14 . 1 1 138 138 ASN H H 138 8.337 8.337 7.686 0.651 18521 13415 1 14 . 1 1 139 139 ILE N N 139 120.835 120.835 119.937 0.898 18521 13416 1 14 . 1 1 139 139 ILE HA H 139 4.339 4.339 4.272 0.067 18521 13417 1 14 . 1 1 139 139 ILE C C 139 175.219 175.219 174.845 0.374 18521 13418 1 14 . 1 1 139 139 ILE CA C 139 60.867 60.867 60.650 0.217 18521 13419 1 14 . 1 1 139 139 ILE CB C 139 40.270 40.270 39.810 0.460 18521 13420 1 14 . 1 1 139 139 ILE H H 139 7.138 7.138 7.214 -0.076 18521 13421 1 14 . 1 1 140 140 MET N N 140 123.319 123.319 122.262 1.057 18521 13422 1 14 . 1 1 140 140 MET HA H 140 4.324 4.324 4.469 -0.145 18521 13423 1 14 . 1 1 140 140 MET C C 140 177.931 177.931 177.194 0.737 18521 13424 1 14 . 1 1 140 140 MET CA C 140 58.511 58.511 54.731 3.780 18521 13425 1 14 . 1 1 140 140 MET CB C 140 65.156 65.156 64.272 0.884 18521 13426 1 14 . 1 1 140 140 MET H H 140 8.714 8.714 8.377 0.337 18521 13427 1 14 . 1 1 141 141 LEU N N 141 120.610 120.610 124.198 -3.588 18521 13428 1 14 . 1 1 141 141 LEU HA H 141 4.047 4.047 4.109 -0.062 18521 13429 1 14 . 1 1 141 141 LEU C C 141 177.281 177.281 179.355 -2.074 18521 13430 1 14 . 1 1 141 141 LEU CA C 141 58.362 58.362 58.521 -0.159 18521 13431 1 14 . 1 1 141 141 LEU H H 141 8.333 8.333 8.835 -0.502 18521 13432 1 14 . 1 1 142 142 ASP N N 142 121.268 121.268 121.782 -0.514 18521 13433 1 14 . 1 1 142 142 ASP HA H 142 4.415 4.415 4.667 -0.252 18521 13434 1 14 . 1 1 142 142 ASP C C 142 175.916 175.916 178.524 -2.608 18521 13435 1 14 . 1 1 142 142 ASP CA C 142 54.678 54.678 58.166 -3.488 18521 13436 1 14 . 1 1 142 142 ASP CB C 142 68.329 68.329 68.716 -0.387 18521 13437 1 14 . 1 1 142 142 ASP H H 142 8.199 8.199 8.258 -0.059 18521 13438 1 14 . 1 1 143 143 LEU N N 143 120.218 120.218 122.962 -2.744 18521 13439 1 14 . 1 1 143 143 LEU HA H 143 4.108 4.108 4.051 0.057 18521 13440 1 14 . 1 1 143 143 LEU C C 143 176.205 176.205 178.928 -2.723 18521 13441 1 14 . 1 1 143 143 LEU CA C 143 57.314 57.314 58.037 -0.723 18521 13442 1 14 . 1 1 143 143 LEU CB C 143 39.700 39.700 41.797 -2.096 18521 13443 1 14 . 1 1 143 143 LEU H H 143 7.858 7.858 8.109 -0.251 18521 13444 1 14 . 1 1 144 144 ILE N N 144 121.582 121.582 125.002 -3.420 18521 13445 1 14 . 1 1 144 144 ILE HA H 144 4.083 4.083 3.798 0.285 18521 13446 1 14 . 1 1 144 144 ILE C C 144 177.130 177.130 177.811 -0.681 18521 13447 1 14 . 1 1 144 144 ILE CA C 144 60.697 60.697 66.612 -5.915 18521 13448 1 14 . 1 1 144 144 ILE CB C 144 38.565 38.565 37.676 0.889 18521 13449 1 14 . 1 1 144 144 ILE H H 144 7.948 7.948 8.166 -0.218 18521 13450 1 14 . 1 1 145 145 GLU N N 145 120.974 120.974 121.399 -0.425 18521 13451 1 14 . 1 1 145 145 GLU HA H 145 4.049 4.049 4.215 -0.166 18521 13452 1 14 . 1 1 145 145 GLU C C 145 179.664 179.664 178.746 0.918 18521 13453 1 14 . 1 1 145 145 GLU CA C 145 59.673 59.673 59.838 -0.165 18521 13454 1 14 . 1 1 145 145 GLU CB C 145 29.521 29.521 29.517 0.004 18521 13455 1 14 . 1 1 145 145 GLU H H 145 7.869 7.869 7.903 -0.034 18521 13456 1 14 . 1 1 146 146 GLN N N 146 118.520 118.520 119.689 -1.169 18521 13457 1 14 . 1 1 146 146 GLN HA H 146 4.034 4.034 4.095 -0.061 18521 13458 1 14 . 1 1 146 146 GLN C C 146 178.820 178.820 177.869 0.951 18521 13459 1 14 . 1 1 146 146 GLN CA C 146 58.720 58.720 58.771 -0.051 18521 13460 1 14 . 1 1 146 146 GLN CB C 146 29.312 29.312 28.423 0.889 18521 13461 1 14 . 1 1 146 146 GLN H H 146 8.407 8.407 7.490 0.917 18521 13462 1 14 . 1 1 147 147 GLY N N 147 108.998 108.998 110.092 -1.094 18521 13463 1 14 . 1 1 147 147 GLY HA H 147 3.471 3.471 3.786 -0.315 18521 13464 1 14 . 1 1 147 147 GLY C C 147 175.794 175.794 176.551 -0.757 18521 13465 1 14 . 1 1 147 147 GLY CA C 147 47.525 47.525 48.162 -0.637 18521 13466 1 14 . 1 1 147 147 GLY CB C 147 41.801 41.801 41.491 0.310 18521 13467 1 14 . 1 1 147 147 GLY H H 147 8.059 8.059 7.706 0.353 18521 13468 1 14 . 1 1 148 148 ASP N N 148 124.022 124.022 118.710 5.312 18521 13469 1 14 . 1 1 148 148 ASP HA H 148 4.342 4.342 4.144 0.198 18521 13470 1 14 . 1 1 148 148 ASP C C 148 175.607 175.607 178.503 -2.896 18521 13471 1 14 . 1 1 148 148 ASP CA C 148 57.252 57.252 57.508 -0.256 18521 13472 1 14 . 1 1 148 148 ASP CB C 148 39.918 39.918 40.372 -0.454 18521 13473 1 14 . 1 1 148 148 ASP H H 148 8.522 8.522 8.480 0.042 18521 13474 1 14 . 1 1 149 149 GLU N N 149 121.333 121.333 120.072 1.261 18521 13475 1 14 . 1 1 149 149 GLU HA H 149 4.008 4.008 3.972 0.036 18521 13476 1 14 . 1 1 149 149 GLU C C 149 175.652 175.652 178.792 -3.140 18521 13477 1 14 . 1 1 149 149 GLU CA C 149 59.394 59.394 59.673 -0.279 18521 13478 1 14 . 1 1 149 149 GLU CB C 149 32.048 32.048 32.266 -0.218 18521 13479 1 14 . 1 1 149 149 GLU H H 149 7.768 7.768 8.000 -0.232 18521 13480 1 14 . 1 1 150 150 LEU N N 150 120.820 120.820 119.217 1.603 18521 13481 1 14 . 1 1 150 150 LEU HA H 150 3.718 3.718 4.065 -0.347 18521 13482 1 14 . 1 1 150 150 LEU C C 150 179.476 179.476 179.753 -0.277 18521 13483 1 14 . 1 1 150 150 LEU CA C 150 57.656 57.656 57.885 -0.229 18521 13484 1 14 . 1 1 150 150 LEU CB C 150 28.936 28.936 29.726 -0.790 18521 13485 1 14 . 1 1 150 150 LEU H H 150 8.113 8.113 7.423 0.690 18521 13486 1 14 . 1 1 151 151 GLN N N 151 118.698 118.698 120.162 -1.464 18521 13487 1 14 . 1 1 151 151 GLN HA H 151 3.990 3.990 3.633 0.357 18521 13488 1 14 . 1 1 151 151 GLN C C 151 178.418 178.418 177.713 0.705 18521 13489 1 14 . 1 1 151 151 GLN CA C 151 58.570 58.570 59.471 -0.901 18521 13490 1 14 . 1 1 151 151 GLN CB C 151 38.409 38.409 37.517 0.892 18521 13491 1 14 . 1 1 151 151 GLN H H 151 8.282 8.282 7.908 0.374 18521 13492 1 14 . 1 1 152 152 GLU N N 152 120.750 120.750 119.734 1.016 18521 13493 1 14 . 1 1 152 152 GLU HA H 152 4.035 4.035 3.960 0.075 18521 13494 1 14 . 1 1 152 152 GLU C C 152 178.916 178.916 178.977 -0.061 18521 13495 1 14 . 1 1 152 152 GLU CA C 152 59.223 59.223 59.245 -0.022 18521 13496 1 14 . 1 1 152 152 GLU CB C 152 29.322 29.322 29.143 0.179 18521 13497 1 14 . 1 1 152 152 GLU H H 152 7.499 7.499 8.527 -1.028 18521 13498 1 14 . 1 1 153 153 VAL N N 153 120.317 120.317 121.059 -0.742 18521 13499 1 14 . 1 1 153 153 VAL HA H 153 3.695 3.695 3.803 -0.108 18521 13500 1 14 . 1 1 153 153 VAL C C 153 178.846 178.846 178.238 0.608 18521 13501 1 14 . 1 1 153 153 VAL CA C 153 65.832 65.832 66.687 -0.855 18521 13502 1 14 . 1 1 153 153 VAL CB C 153 31.921 31.921 31.883 0.038 18521 13503 1 14 . 1 1 153 153 VAL H H 153 7.763 7.763 8.728 -0.965 18521 13504 1 14 . 1 1 154 154 LEU N N 154 121.374 121.374 119.530 1.844 18521 13505 1 14 . 1 1 154 154 LEU HA H 154 3.917 3.917 4.045 -0.128 18521 13506 1 14 . 1 1 154 154 LEU C C 154 178.836 178.836 178.691 0.145 18521 13507 1 14 . 1 1 154 154 LEU CA C 154 57.439 57.439 57.588 -0.149 18521 13508 1 14 . 1 1 154 154 LEU CB C 154 41.797 41.797 40.783 1.014 18521 13509 1 14 . 1 1 154 154 LEU H H 154 7.731 7.731 7.983 -0.252 18521 13510 1 14 . 1 1 155 155 ALA N N 155 121.695 121.695 124.158 -2.463 18521 13511 1 14 . 1 1 155 155 ALA HA H 155 4.145 4.145 3.817 0.328 18521 13512 1 14 . 1 1 155 155 ALA C C 155 179.502 179.502 180.044 -0.542 18521 13513 1 14 . 1 1 155 155 ALA CA C 155 54.175 54.175 55.423 -1.248 18521 13514 1 14 . 1 1 155 155 ALA CB C 155 18.499 18.499 18.695 -0.196 18521 13515 1 14 . 1 1 155 155 ALA H H 155 7.896 7.896 7.775 0.121 18521 13516 1 14 . 1 1 156 156 MET N N 156 117.652 117.652 118.785 -1.133 18521 13517 1 14 . 1 1 156 156 MET HA H 156 4.228 4.228 3.897 0.331 18521 13518 1 14 . 1 1 156 156 MET C C 156 177.366 177.366 178.182 -0.816 18521 13519 1 14 . 1 1 156 156 MET CA C 156 57.306 57.306 59.316 -2.010 18521 13520 1 14 . 1 1 156 156 MET CB C 156 32.373 32.373 32.531 -0.158 18521 13521 1 14 . 1 1 156 156 MET H H 156 7.778 7.778 8.348 -0.570 18521 13522 1 14 . 1 1 157 157 ASN N N 157 117.853 117.853 117.564 0.289 18521 13523 1 14 . 1 1 157 157 ASN HA H 157 4.588 4.588 4.250 0.338 18521 13524 1 14 . 1 1 157 157 ASN C C 157 175.211 175.211 177.607 -2.396 18521 13525 1 14 . 1 1 157 157 ASN CA C 157 54.068 54.068 57.485 -3.417 18521 13526 1 14 . 1 1 157 157 ASN CB C 157 39.125 39.125 38.419 0.706 18521 13527 1 14 . 1 1 157 157 ASN H H 157 8.009 8.009 8.325 -0.316 18521 13528 1 14 . 1 1 158 158 ASN N N 158 117.684 117.684 117.271 0.413 18521 13529 1 14 . 1 1 158 158 ASN HA H 158 4.612 4.612 4.320 0.292 18521 13530 1 14 . 1 1 158 158 ASN C C 158 174.669 174.669 177.230 -2.561 18521 13531 1 14 . 1 1 158 158 ASN CA C 158 53.554 53.554 56.106 -2.552 18521 13532 1 14 . 1 1 158 158 ASN CB C 158 39.343 39.343 38.053 1.290 18521 13533 1 14 . 1 1 158 158 ASN H H 158 7.951 7.951 8.770 -0.819 18521 13534 1 14 . 1 1 159 159 ASN N N 159 119.399 119.399 116.937 2.462 18521 13535 1 14 . 1 1 159 159 ASN HA H 159 4.583 4.583 4.392 0.191 18521 13536 1 14 . 1 1 159 159 ASN C C 159 175.563 175.563 177.445 -1.882 18521 13537 1 14 . 1 1 159 159 ASN CA C 159 53.901 53.901 56.826 -2.925 18521 13538 1 14 . 1 1 159 159 ASN CB C 159 38.425 38.425 38.150 0.275 18521 13539 1 14 . 1 1 159 159 ASN H H 159 8.319 8.319 7.693 0.626 18521 13540 1 14 . 1 1 160 160 SER N N 160 115.453 115.453 117.135 -1.682 18521 13541 1 14 . 1 1 160 160 SER HA H 160 4.324 4.324 4.051 0.273 18521 13542 1 14 . 1 1 160 160 SER C C 160 174.952 174.952 176.955 -2.003 18521 13543 1 14 . 1 1 160 160 SER CA C 160 58.851 58.851 61.327 -2.476 18521 13544 1 14 . 1 1 160 160 SER CB C 160 63.704 63.704 62.950 0.754 18521 13545 1 14 . 1 1 160 160 SER H H 160 8.297 8.297 7.477 0.820 18521 13546 1 14 . 1 1 161 161 GLY N N 161 110.851 110.851 106.561 4.290 18521 13547 1 14 . 1 1 161 161 GLY HA H 161 4.146 4.146 4.079 0.067 18521 13548 1 14 . 1 1 161 161 GLY C C 161 173.974 173.974 177.693 -3.719 18521 13549 1 14 . 1 1 161 161 GLY CA C 161 45.348 45.348 48.190 -2.842 18521 13550 1 14 . 1 1 161 161 GLY CB C 161 42.245 42.245 41.711 0.534 18521 13551 1 14 . 1 1 161 161 GLY H H 161 8.328 8.328 8.190 0.138 18521 13552 1 14 . 1 1 162 162 GLU N N 162 120.859 120.859 118.896 1.963 18521 13553 1 14 . 1 1 162 162 GLU HA H 162 4.211 4.211 4.196 0.015 18521 13554 1 14 . 1 1 162 162 GLU C C 162 177.522 177.522 177.618 -0.096 18521 13555 1 14 . 1 1 162 162 GLU CA C 162 56.065 56.065 58.924 -2.859 18521 13556 1 14 . 1 1 162 162 GLU CB C 162 29.852 29.852 29.080 0.772 18521 13557 1 14 . 1 1 162 162 GLU H H 162 8.244 8.244 7.810 0.434 18521 13558 1 14 . 1 1 163 163 LEU N N 163 124.226 124.226 117.620 6.606 18521 13559 1 14 . 1 1 163 163 LEU HA H 163 3.889 3.889 4.342 -0.453 18521 13560 1 14 . 1 1 163 163 LEU C C 163 178.043 178.043 176.807 1.236 18521 13561 1 14 . 1 1 163 163 LEU CA C 163 57.163 57.163 54.468 2.695 18521 13562 1 14 . 1 1 163 163 LEU CB C 163 41.840 41.840 42.167 -0.327 18521 13563 1 14 . 1 1 163 163 LEU H H 163 8.337 8.337 7.653 0.684 18521 13564 1 14 . 1 1 164 164 ASP N N 164 116.994 116.994 119.300 -2.306 18521 13565 1 14 . 1 1 164 164 ASP HA H 164 4.327 4.327 4.256 0.071 18521 13566 1 14 . 1 1 164 164 ASP C C 164 176.423 176.423 176.877 -0.454 18521 13567 1 14 . 1 1 164 164 ASP CA C 164 55.427 55.427 54.832 0.595 18521 13568 1 14 . 1 1 164 164 ASP H H 164 8.188 8.188 7.677 0.511 18521 13569 1 14 . 1 1 165 165 ASP N N 165 118.967 118.967 119.181 -0.214 18521 13570 1 14 . 1 1 165 165 ASP HA H 165 4.443 4.443 4.475 -0.032 18521 13571 1 14 . 1 1 165 165 ASP C C 165 175.654 175.654 176.350 -0.696 18521 13572 1 14 . 1 1 165 165 ASP CA C 165 54.707 54.707 55.110 -0.403 18521 13573 1 14 . 1 1 165 165 ASP CB C 165 40.973 40.973 41.275 -0.302 18521 13574 1 14 . 1 1 165 165 ASP H H 165 7.701 7.701 8.004 -0.303 18521 13575 1 14 . 1 1 166 166 ILE N N 166 122.002 122.002 119.752 2.250 18521 13576 1 14 . 1 1 166 166 ILE HA H 166 4.049 4.049 4.062 -0.013 18521 13577 1 14 . 1 1 166 166 ILE C C 166 175.180 175.180 175.098 0.082 18521 13578 1 14 . 1 1 166 166 ILE CA C 166 60.396 60.396 59.808 0.588 18521 13579 1 14 . 1 1 166 166 ILE CB C 166 39.185 39.185 37.817 1.368 18521 13580 1 14 . 1 1 166 166 ILE H H 166 7.388 7.388 7.214 0.174 18521 13581 1 15 . 1 1 2 2 ALA N N 2 122.445 122.445 123.478 -1.033 18521 13582 1 15 . 1 1 2 2 ALA HA H 2 4.045 4.045 4.045 0.000 18521 13583 1 15 . 1 1 2 2 ALA C C 2 179.992 179.992 179.242 0.750 18521 13584 1 15 . 1 1 2 2 ALA CA C 2 55.140 55.140 54.807 0.333 18521 13585 1 15 . 1 1 2 2 ALA CB C 2 18.482 18.482 17.910 0.572 18521 13586 1 15 . 1 1 2 2 ALA H H 2 8.545 8.545 8.550 -0.005 18521 13587 1 15 . 1 1 3 3 SER N N 3 115.544 115.544 114.338 1.206 18521 13588 1 15 . 1 1 3 3 SER HA H 3 4.030 4.030 4.085 -0.055 18521 13589 1 15 . 1 1 3 3 SER C C 3 176.584 176.584 176.579 0.005 18521 13590 1 15 . 1 1 3 3 SER CA C 3 60.748 60.748 61.181 -0.433 18521 13591 1 15 . 1 1 3 3 SER CB C 3 62.416 62.416 62.678 -0.263 18521 13592 1 15 . 1 1 3 3 SER H H 3 8.009 8.009 8.417 -0.408 18521 13593 1 15 . 1 1 4 4 ASN N N 4 123.103 123.103 119.734 3.369 18521 13594 1 15 . 1 1 4 4 ASN HA H 4 4.318 4.318 4.402 -0.084 18521 13595 1 15 . 1 1 4 4 ASN C C 4 176.215 176.215 177.043 -0.828 18521 13596 1 15 . 1 1 4 4 ASN CA C 4 55.580 55.580 55.905 -0.325 18521 13597 1 15 . 1 1 4 4 ASN CB C 4 38.154 38.154 37.958 0.196 18521 13598 1 15 . 1 1 4 4 ASN H H 4 7.965 7.965 7.683 0.282 18521 13599 1 15 . 1 1 5 5 ALA N N 5 122.314 122.314 121.892 0.422 18521 13600 1 15 . 1 1 5 5 ALA HA H 5 3.560 3.560 3.804 -0.244 18521 13601 1 15 . 1 1 5 5 ALA C C 5 178.543 178.543 178.998 -0.455 18521 13602 1 15 . 1 1 5 5 ALA CA C 5 55.774 55.774 55.026 0.748 18521 13603 1 15 . 1 1 5 5 ALA CB C 5 17.638 17.638 18.167 -0.529 18521 13604 1 15 . 1 1 5 5 ALA H H 5 8.721 8.721 7.291 1.430 18521 13605 1 15 . 1 1 6 6 ALA N N 6 117.886 117.886 121.263 -3.377 18521 13606 1 15 . 1 1 6 6 ALA HA H 6 3.784 3.784 3.984 -0.200 18521 13607 1 15 . 1 1 6 6 ALA C C 6 180.378 180.378 179.332 1.046 18521 13608 1 15 . 1 1 6 6 ALA CA C 6 55.240 55.240 54.954 0.286 18521 13609 1 15 . 1 1 6 6 ALA CB C 6 17.890 17.890 18.082 -0.192 18521 13610 1 15 . 1 1 6 6 ALA H H 6 7.891 7.891 7.489 0.402 18521 13611 1 15 . 1 1 7 7 ARG N N 7 120.992 120.992 119.537 1.455 18521 13612 1 15 . 1 1 7 7 ARG HA H 7 3.770 3.770 4.036 -0.266 18521 13613 1 15 . 1 1 7 7 ARG C C 7 179.531 179.531 178.608 0.923 18521 13614 1 15 . 1 1 7 7 ARG CA C 7 59.249 59.249 59.412 -0.163 18521 13615 1 15 . 1 1 7 7 ARG CB C 7 29.546 29.546 30.406 -0.860 18521 13616 1 15 . 1 1 7 7 ARG H H 7 7.503 7.503 8.122 -0.619 18521 13617 1 15 . 1 1 8 8 VAL N N 8 123.707 123.707 119.193 4.514 18521 13618 1 15 . 1 1 8 8 VAL HA H 8 3.285 3.285 3.738 -0.453 18521 13619 1 15 . 1 1 8 8 VAL C C 8 177.740 177.740 177.906 -0.166 18521 13620 1 15 . 1 1 8 8 VAL CA C 8 67.839 67.839 66.604 1.235 18521 13621 1 15 . 1 1 8 8 VAL CB C 8 31.516 31.516 31.266 0.250 18521 13622 1 15 . 1 1 8 8 VAL H H 8 8.176 8.176 8.381 -0.205 18521 13623 1 15 . 1 1 9 9 VAL N N 9 119.893 119.893 120.233 -0.340 18521 13624 1 15 . 1 1 9 9 VAL HA H 9 3.286 3.286 3.511 -0.225 18521 13625 1 15 . 1 1 9 9 VAL C C 9 177.535 177.535 177.897 -0.362 18521 13626 1 15 . 1 1 9 9 VAL CA C 9 67.549 67.549 67.059 0.490 18521 13627 1 15 . 1 1 9 9 VAL CB C 9 31.683 31.683 31.327 0.356 18521 13628 1 15 . 1 1 9 9 VAL H H 9 8.329 8.329 7.707 0.622 18521 13629 1 15 . 1 1 10 10 ALA N N 10 122.541 122.541 121.673 0.868 18521 13630 1 15 . 1 1 10 10 ALA HA H 10 3.971 3.971 4.071 -0.100 18521 13631 1 15 . 1 1 10 10 ALA C C 10 177.093 177.093 179.649 -2.556 18521 13632 1 15 . 1 1 10 10 ALA CA C 10 55.448 55.448 55.536 -0.088 18521 13633 1 15 . 1 1 10 10 ALA CB C 10 17.791 17.791 18.284 -0.493 18521 13634 1 15 . 1 1 10 10 ALA H H 10 7.802 7.802 8.567 -0.765 18521 13635 1 15 . 1 1 11 11 THR N N 11 116.946 116.946 115.890 1.056 18521 13636 1 15 . 1 1 11 11 THR HA H 11 3.821 3.821 4.000 -0.179 18521 13637 1 15 . 1 1 11 11 THR C C 11 175.702 175.702 176.669 -0.967 18521 13638 1 15 . 1 1 11 11 THR CA C 11 66.531 66.531 66.463 0.068 18521 13639 1 15 . 1 1 11 11 THR CB C 11 68.493 68.493 68.378 0.115 18521 13640 1 15 . 1 1 11 11 THR H H 11 8.187 8.187 8.569 -0.382 18521 13641 1 15 . 1 1 12 12 ALA N N 12 125.357 125.357 123.940 1.417 18521 13642 1 15 . 1 1 12 12 ALA HA H 12 4.003 4.003 4.086 -0.083 18521 13643 1 15 . 1 1 12 12 ALA C C 12 179.401 179.401 179.355 0.046 18521 13644 1 15 . 1 1 12 12 ALA CA C 12 56.083 56.083 55.286 0.797 18521 13645 1 15 . 1 1 12 12 ALA CB C 12 18.855 18.855 18.202 0.653 18521 13646 1 15 . 1 1 12 12 ALA H H 12 8.641 8.641 8.227 0.414 18521 13647 1 15 . 1 1 13 13 LYS N N 13 117.246 117.246 117.149 0.097 18521 13648 1 15 . 1 1 13 13 LYS HA H 13 3.964 3.964 4.091 -0.127 18521 13649 1 15 . 1 1 13 13 LYS C C 13 180.132 180.132 178.342 1.790 18521 13650 1 15 . 1 1 13 13 LYS CA C 13 58.991 58.991 59.218 -0.227 18521 13651 1 15 . 1 1 13 13 LYS CB C 13 32.014 32.014 32.050 -0.035 18521 13652 1 15 . 1 1 13 13 LYS H H 13 7.961 7.961 7.687 0.274 18521 13653 1 15 . 1 1 14 14 ASP N N 14 122.162 122.162 119.760 2.402 18521 13654 1 15 . 1 1 14 14 ASP HA H 14 4.355 4.355 4.401 -0.046 18521 13655 1 15 . 1 1 14 14 ASP C C 14 179.394 179.394 178.326 1.068 18521 13656 1 15 . 1 1 14 14 ASP CA C 14 57.524 57.524 56.918 0.606 18521 13657 1 15 . 1 1 14 14 ASP CB C 14 39.984 39.984 40.402 -0.418 18521 13658 1 15 . 1 1 14 14 ASP H H 14 7.702 7.702 7.755 -0.053 18521 13659 1 15 . 1 1 15 15 PHE N N 15 119.552 119.552 118.069 1.483 18521 13660 1 15 . 1 1 15 15 PHE HA H 15 4.307 4.307 4.217 0.090 18521 13661 1 15 . 1 1 15 15 PHE C C 15 178.383 178.383 177.896 0.487 18521 13662 1 15 . 1 1 15 15 PHE CA C 15 62.313 62.313 61.532 0.780 18521 13663 1 15 . 1 1 15 15 PHE CB C 15 37.340 37.340 38.830 -1.490 18521 13664 1 15 . 1 1 15 15 PHE H H 15 7.970 7.970 7.593 0.377 18521 13665 1 15 . 1 1 16 16 ASP N N 16 121.464 121.464 119.700 1.764 18521 13666 1 15 . 1 1 16 16 ASP HA H 16 4.016 4.016 4.453 -0.437 18521 13667 1 15 . 1 1 16 16 ASP C C 16 179.923 179.923 179.242 0.681 18521 13668 1 15 . 1 1 16 16 ASP CA C 16 58.030 58.030 57.340 0.690 18521 13669 1 15 . 1 1 16 16 ASP CB C 16 41.407 41.407 40.175 1.232 18521 13670 1 15 . 1 1 16 16 ASP H H 16 8.259 8.259 7.854 0.405 18521 13671 1 15 . 1 1 17 17 LYS N N 17 118.806 118.806 120.779 -1.973 18521 13672 1 15 . 1 1 17 17 LYS HA H 17 4.047 4.047 4.126 -0.079 18521 13673 1 15 . 1 1 17 17 LYS C C 17 178.432 178.432 177.899 0.533 18521 13674 1 15 . 1 1 17 17 LYS CA C 17 59.018 59.018 58.981 0.037 18521 13675 1 15 . 1 1 17 17 LYS CB C 17 32.592 32.592 32.656 -0.064 18521 13676 1 15 . 1 1 17 17 LYS H H 17 7.842 7.842 7.780 0.062 18521 13677 1 15 . 1 1 18 18 VAL N N 18 110.416 110.416 116.681 -6.265 18521 13678 1 15 . 1 1 18 18 VAL HA H 18 4.523 4.523 4.050 0.473 18521 13679 1 15 . 1 1 18 18 VAL C C 18 176.089 176.089 175.685 0.404 18521 13680 1 15 . 1 1 18 18 VAL CA C 18 60.797 60.797 62.869 -2.072 18521 13681 1 15 . 1 1 18 18 VAL CB C 18 31.194 31.194 32.148 -0.953 18521 13682 1 15 . 1 1 18 18 VAL H H 18 7.198 7.198 7.314 -0.116 18521 13683 1 15 . 1 1 19 19 GLY N N 19 109.008 109.008 107.979 1.029 18521 13684 1 15 . 1 1 19 19 GLY C C 19 175.070 175.070 174.642 0.428 18521 13685 1 15 . 1 1 19 19 GLY CA C 19 45.842 45.842 45.419 0.423 18521 13686 1 15 . 1 1 19 19 GLY H H 19 7.731 7.731 7.719 0.012 18521 13687 1 15 . 1 1 20 20 LEU N N 20 125.244 125.244 123.018 2.226 18521 13688 1 15 . 1 1 20 20 LEU HA H 20 4.938 4.938 4.633 0.305 18521 13689 1 15 . 1 1 20 20 LEU C C 20 177.890 177.890 176.924 0.966 18521 13690 1 15 . 1 1 20 20 LEU CA C 20 52.674 52.674 53.163 -0.488 18521 13691 1 15 . 1 1 20 20 LEU CB C 20 40.239 40.239 40.024 0.215 18521 13692 1 15 . 1 1 20 20 LEU H H 20 8.102 8.102 8.400 -0.298 18521 13693 1 15 . 1 1 21 21 GLY N N 21 108.031 108.031 109.731 -1.700 18521 13694 1 15 . 1 1 21 21 GLY C C 21 176.174 176.174 175.867 0.307 18521 13695 1 15 . 1 1 21 21 GLY CA C 21 47.352 47.352 47.414 -0.062 18521 13696 1 15 . 1 1 21 21 GLY H H 21 8.046 8.046 7.974 0.072 18521 13697 1 15 . 1 1 22 22 ILE N N 22 121.173 121.173 121.972 -0.799 18521 13698 1 15 . 1 1 22 22 ILE HA H 22 3.944 3.944 3.722 0.222 18521 13699 1 15 . 1 1 22 22 ILE C C 22 176.119 176.119 177.621 -1.502 18521 13700 1 15 . 1 1 22 22 ILE CA C 22 61.179 61.179 64.703 -3.524 18521 13701 1 15 . 1 1 22 22 ILE CB C 22 35.934 35.934 37.955 -2.021 18521 13702 1 15 . 1 1 22 22 ILE H H 22 8.395 8.395 8.047 0.348 18521 13703 1 15 . 1 1 23 23 ILE N N 23 120.647 120.647 120.235 0.412 18521 13704 1 15 . 1 1 23 23 ILE HA H 23 3.713 3.713 3.788 -0.075 18521 13705 1 15 . 1 1 23 23 ILE C C 23 178.458 178.458 178.466 -0.008 18521 13706 1 15 . 1 1 23 23 ILE CA C 23 64.266 64.266 62.252 2.014 18521 13707 1 15 . 1 1 23 23 ILE CB C 23 36.272 36.272 36.083 0.189 18521 13708 1 15 . 1 1 23 23 ILE H H 23 6.824 6.824 7.442 -0.618 18521 13709 1 15 . 1 1 24 24 GLY N N 24 103.326 103.326 107.789 -4.463 18521 13710 1 15 . 1 1 24 24 GLY C C 24 174.914 174.914 175.648 -0.734 18521 13711 1 15 . 1 1 24 24 GLY CA C 24 47.998 47.998 47.046 0.952 18521 13712 1 15 . 1 1 24 24 GLY H H 24 7.412 7.412 7.730 -0.318 18521 13713 1 15 . 1 1 25 25 TYR N N 25 124.188 124.188 124.131 0.057 18521 13714 1 15 . 1 1 25 25 TYR HA H 25 3.734 3.734 3.781 -0.047 18521 13715 1 15 . 1 1 25 25 TYR C C 25 176.055 176.055 177.234 -1.179 18521 13716 1 15 . 1 1 25 25 TYR CA C 25 60.962 60.962 60.734 0.228 18521 13717 1 15 . 1 1 25 25 TYR CB C 25 37.888 37.888 37.723 0.165 18521 13718 1 15 . 1 1 25 25 TYR H H 25 7.861 7.861 8.229 -0.368 18521 13719 1 15 . 1 1 26 26 TYR N N 26 117.390 117.390 117.378 0.012 18521 13720 1 15 . 1 1 26 26 TYR HA H 26 3.881 3.881 3.937 -0.056 18521 13721 1 15 . 1 1 26 26 TYR C C 26 178.653 178.653 177.953 0.700 18521 13722 1 15 . 1 1 26 26 TYR CA C 26 64.270 64.270 62.452 1.818 18521 13723 1 15 . 1 1 26 26 TYR CB C 26 37.453 37.453 38.208 -0.755 18521 13724 1 15 . 1 1 26 26 TYR H H 26 7.594 7.594 7.596 -0.002 18521 13725 1 15 . 1 1 27 27 LEU N N 27 118.536 118.536 119.349 -0.813 18521 13726 1 15 . 1 1 27 27 LEU HA H 27 4.277 4.277 3.797 0.480 18521 13727 1 15 . 1 1 27 27 LEU C C 27 179.025 179.025 178.940 0.085 18521 13728 1 15 . 1 1 27 27 LEU CA C 27 58.382 58.382 58.193 0.189 18521 13729 1 15 . 1 1 27 27 LEU CB C 27 42.595 42.595 41.052 1.543 18521 13730 1 15 . 1 1 27 27 LEU H H 27 8.226 8.226 7.822 0.404 18521 13731 1 15 . 1 1 28 28 GLN N N 28 119.110 119.110 117.870 1.240 18521 13732 1 15 . 1 1 28 28 GLN HA H 28 3.665 3.665 3.824 -0.159 18521 13733 1 15 . 1 1 28 28 GLN C C 28 177.406 177.406 178.376 -0.970 18521 13734 1 15 . 1 1 28 28 GLN CA C 28 60.626 60.626 58.933 1.693 18521 13735 1 15 . 1 1 28 28 GLN CB C 28 28.959 28.959 28.535 0.424 18521 13736 1 15 . 1 1 28 28 GLN H H 28 8.007 8.007 8.161 -0.154 18521 13737 1 15 . 1 1 29 29 LEU N N 29 121.623 121.623 120.950 0.673 18521 13738 1 15 . 1 1 29 29 LEU HA H 29 3.718 3.718 3.858 -0.140 18521 13739 1 15 . 1 1 29 29 LEU C C 29 179.706 179.706 178.084 1.622 18521 13740 1 15 . 1 1 29 29 LEU CA C 29 58.382 58.382 57.560 0.822 18521 13741 1 15 . 1 1 29 29 LEU CB C 29 42.114 42.114 41.413 0.701 18521 13742 1 15 . 1 1 29 29 LEU H H 29 7.938 7.938 7.268 0.670 18521 13743 1 15 . 1 1 30 30 TYR N N 30 120.084 120.084 120.711 -0.627 18521 13744 1 15 . 1 1 30 30 TYR HA H 30 4.132 4.132 3.994 0.138 18521 13745 1 15 . 1 1 30 30 TYR C C 30 175.611 175.611 177.139 -1.528 18521 13746 1 15 . 1 1 30 30 TYR CA C 30 58.951 58.951 59.705 -0.754 18521 13747 1 15 . 1 1 30 30 TYR CB C 30 39.302 39.302 37.697 1.605 18521 13748 1 15 . 1 1 30 30 TYR H H 30 7.974 7.974 8.008 -0.034 18521 13749 1 15 . 1 1 31 31 ALA N N 31 121.802 121.802 121.206 0.596 18521 13750 1 15 . 1 1 31 31 ALA HA H 31 3.343 3.343 3.499 -0.156 18521 13751 1 15 . 1 1 31 31 ALA C C 31 178.911 178.911 179.392 -0.481 18521 13752 1 15 . 1 1 31 31 ALA CA C 31 55.429 55.429 54.759 0.670 18521 13753 1 15 . 1 1 31 31 ALA CB C 31 17.895 17.895 17.918 -0.023 18521 13754 1 15 . 1 1 31 31 ALA H H 31 8.504 8.504 7.869 0.635 18521 13755 1 15 . 1 1 32 32 VAL N N 32 116.528 116.528 118.653 -2.125 18521 13756 1 15 . 1 1 32 32 VAL HA H 32 3.249 3.249 3.424 -0.175 18521 13757 1 15 . 1 1 32 32 VAL C C 32 176.963 176.963 178.052 -1.089 18521 13758 1 15 . 1 1 32 32 VAL CA C 32 67.723 67.723 67.176 0.547 18521 13759 1 15 . 1 1 32 32 VAL CB C 32 31.403 31.403 31.143 0.260 18521 13760 1 15 . 1 1 32 32 VAL H H 32 8.027 8.027 7.878 0.149 18521 13761 1 15 . 1 1 33 33 GLU N N 33 118.609 118.609 119.232 -0.623 18521 13762 1 15 . 1 1 33 33 GLU HA H 33 3.804 3.804 4.013 -0.209 18521 13763 1 15 . 1 1 33 33 GLU C C 33 180.234 180.234 179.165 1.069 18521 13764 1 15 . 1 1 33 33 GLU CA C 33 59.446 59.446 59.265 0.181 18521 13765 1 15 . 1 1 33 33 GLU CB C 33 28.711 28.711 29.561 -0.851 18521 13766 1 15 . 1 1 33 33 GLU H H 33 7.299 7.299 7.594 -0.295 18521 13767 1 15 . 1 1 34 34 LEU N N 34 120.831 120.831 121.945 -1.114 18521 13768 1 15 . 1 1 34 34 LEU HA H 34 3.702 3.702 3.872 -0.170 18521 13769 1 15 . 1 1 34 34 LEU C C 34 180.024 180.024 179.104 0.920 18521 13770 1 15 . 1 1 34 34 LEU CA C 34 57.815 57.815 58.072 -0.257 18521 13771 1 15 . 1 1 34 34 LEU CB C 34 42.097 42.097 41.676 0.421 18521 13772 1 15 . 1 1 34 34 LEU H H 34 8.168 8.168 7.562 0.606 18521 13773 1 15 . 1 1 35 35 ILE N N 35 120.733 120.733 119.813 0.920 18521 13774 1 15 . 1 1 35 35 ILE HA H 35 3.589 3.589 3.622 -0.033 18521 13775 1 15 . 1 1 35 35 ILE C C 35 178.501 178.501 178.691 -0.190 18521 13776 1 15 . 1 1 35 35 ILE CA C 35 65.363 65.363 65.326 0.037 18521 13777 1 15 . 1 1 35 35 ILE CB C 35 38.960 38.960 37.918 1.042 18521 13778 1 15 . 1 1 35 35 ILE H H 35 8.064 8.064 7.947 0.117 18521 13779 1 15 . 1 1 36 36 LEU N N 36 115.519 115.519 119.058 -3.539 18521 13780 1 15 . 1 1 36 36 LEU HA H 36 3.958 3.958 4.001 -0.043 18521 13781 1 15 . 1 1 36 36 LEU C C 36 178.244 178.244 178.188 0.056 18521 13782 1 15 . 1 1 36 36 LEU CA C 36 56.069 56.069 57.310 -1.241 18521 13783 1 15 . 1 1 36 36 LEU CB C 36 40.528 40.528 41.822 -1.294 18521 13784 1 15 . 1 1 36 36 LEU H H 36 8.370 8.370 7.690 0.680 18521 13785 1 15 . 1 1 37 37 SER N N 37 113.976 113.976 111.205 2.771 18521 13786 1 15 . 1 1 37 37 SER HA H 37 4.197 4.197 4.263 -0.066 18521 13787 1 15 . 1 1 37 37 SER C C 37 173.934 173.934 175.036 -1.102 18521 13788 1 15 . 1 1 37 37 SER CA C 37 60.204 60.204 59.582 0.622 18521 13789 1 15 . 1 1 37 37 SER CB C 37 63.507 63.507 63.707 -0.200 18521 13790 1 15 . 1 1 37 37 SER H H 37 7.523 7.523 7.886 -0.363 18521 13791 1 15 . 1 1 38 38 GLU N N 38 123.219 123.219 122.790 0.429 18521 13792 1 15 . 1 1 38 38 GLU HA H 38 4.426 4.426 4.379 0.047 18521 13793 1 15 . 1 1 38 38 GLU C C 38 175.767 175.767 176.486 -0.719 18521 13794 1 15 . 1 1 38 38 GLU CA C 38 55.046 55.046 55.763 -0.717 18521 13795 1 15 . 1 1 38 38 GLU CB C 38 30.395 30.395 30.634 -0.239 18521 13796 1 15 . 1 1 38 38 GLU H H 38 7.185 7.185 7.562 -0.377 18521 13797 1 15 . 1 1 39 39 GLU N N 39 126.955 126.955 124.904 2.051 18521 13798 1 15 . 1 1 39 39 GLU HA H 39 3.985 3.985 4.081 -0.096 18521 13799 1 15 . 1 1 39 39 GLU C C 39 176.861 176.861 175.979 0.882 18521 13800 1 15 . 1 1 39 39 GLU CA C 39 58.331 58.331 58.507 -0.176 18521 13801 1 15 . 1 1 39 39 GLU CB C 39 30.008 30.008 29.918 0.090 18521 13802 1 15 . 1 1 39 39 GLU H H 39 8.632 8.632 8.775 -0.143 18521 13803 1 15 . 1 1 40 40 ASP N N 40 119.763 119.763 119.486 0.277 18521 13804 1 15 . 1 1 40 40 ASP HA H 40 4.616 4.616 4.770 -0.154 18521 13805 1 15 . 1 1 40 40 ASP C C 40 174.989 174.989 175.209 -0.220 18521 13806 1 15 . 1 1 40 40 ASP CA C 40 53.281 53.281 53.628 -0.347 18521 13807 1 15 . 1 1 40 40 ASP CB C 40 39.814 39.814 40.930 -1.116 18521 13808 1 15 . 1 1 40 40 ASP H H 40 8.560 8.560 8.109 0.451 18521 13809 1 15 . 1 1 41 41 ARG N N 41 119.595 119.595 122.617 -3.022 18521 13810 1 15 . 1 1 41 41 ARG HA H 41 4.390 4.390 4.592 -0.202 18521 13811 1 15 . 1 1 41 41 ARG C C 41 175.553 175.553 175.429 0.124 18521 13812 1 15 . 1 1 41 41 ARG CA C 41 54.707 54.707 55.192 -0.485 18521 13813 1 15 . 1 1 41 41 ARG CB C 41 31.865 31.865 32.973 -1.108 18521 13814 1 15 . 1 1 41 41 ARG H H 41 7.443 7.443 8.497 -1.054 18521 13815 1 15 . 1 1 42 42 SER N N 42 119.463 119.463 119.304 0.159 18521 13816 1 15 . 1 1 42 42 SER HA H 42 4.381 4.381 4.589 -0.208 18521 13817 1 15 . 1 1 42 42 SER C C 42 175.361 175.361 175.425 -0.064 18521 13818 1 15 . 1 1 42 42 SER CA C 42 57.137 57.137 56.837 0.300 18521 13819 1 15 . 1 1 42 42 SER CB C 42 65.166 65.166 65.095 0.071 18521 13820 1 15 . 1 1 42 42 SER H H 42 8.556 8.556 8.407 0.149 18521 13821 1 15 . 1 1 43 43 GLN N N 43 122.535 122.535 121.823 0.712 18521 13822 1 15 . 1 1 43 43 GLN HA H 43 4.018 4.018 3.953 0.065 18521 13823 1 15 . 1 1 43 43 GLN C C 43 178.768 178.768 178.251 0.517 18521 13824 1 15 . 1 1 43 43 GLN CA C 43 59.073 59.073 59.895 -0.822 18521 13825 1 15 . 1 1 43 43 GLN CB C 43 27.871 27.871 28.513 -0.642 18521 13826 1 15 . 1 1 43 43 GLN H H 43 9.087 9.087 8.969 0.118 18521 13827 1 15 . 1 1 44 44 GLU N N 44 120.308 120.308 119.721 0.587 18521 13828 1 15 . 1 1 44 44 GLU HA H 44 3.982 3.982 4.064 -0.082 18521 13829 1 15 . 1 1 44 44 GLU C C 44 179.737 179.737 179.073 0.664 18521 13830 1 15 . 1 1 44 44 GLU CA C 44 60.142 60.142 58.974 1.168 18521 13831 1 15 . 1 1 44 44 GLU CB C 44 28.801 28.801 29.239 -0.438 18521 13832 1 15 . 1 1 44 44 GLU H H 44 8.958 8.958 8.058 0.900 18521 13833 1 15 . 1 1 45 45 MET N N 45 120.968 120.968 119.091 1.877 18521 13834 1 15 . 1 1 45 45 MET HA H 45 4.432 4.432 4.134 0.298 18521 13835 1 15 . 1 1 45 45 MET C C 45 178.153 178.153 178.703 -0.550 18521 13836 1 15 . 1 1 45 45 MET CA C 45 57.117 57.117 59.359 -2.242 18521 13837 1 15 . 1 1 45 45 MET CB C 45 32.517 32.517 32.820 -0.303 18521 13838 1 15 . 1 1 45 45 MET H H 45 7.740 7.740 8.069 -0.329 18521 13839 1 15 . 1 1 46 46 THR N N 46 120.159 120.159 116.445 3.714 18521 13840 1 15 . 1 1 46 46 THR HA H 46 3.620 3.620 3.904 -0.284 18521 13841 1 15 . 1 1 46 46 THR C C 46 176.389 176.389 176.300 0.089 18521 13842 1 15 . 1 1 46 46 THR CA C 46 67.416 67.416 66.918 0.498 18521 13843 1 15 . 1 1 46 46 THR CB C 46 68.208 68.208 68.733 -0.525 18521 13844 1 15 . 1 1 46 46 THR H H 46 8.190 8.190 8.534 -0.344 18521 13845 1 15 . 1 1 47 47 ALA N N 47 124.729 124.729 123.997 0.732 18521 13846 1 15 . 1 1 47 47 ALA HA H 47 4.060 4.060 4.132 -0.072 18521 13847 1 15 . 1 1 47 47 ALA C C 47 179.554 179.554 179.131 0.423 18521 13848 1 15 . 1 1 47 47 ALA CA C 47 55.195 55.195 54.856 0.339 18521 13849 1 15 . 1 1 47 47 ALA CB C 47 17.654 17.654 18.361 -0.707 18521 13850 1 15 . 1 1 47 47 ALA H H 47 8.292 8.292 7.996 0.296 18521 13851 1 15 . 1 1 48 48 LEU N N 48 122.244 122.244 120.878 1.366 18521 13852 1 15 . 1 1 48 48 LEU HA H 48 4.195 4.195 4.062 0.133 18521 13853 1 15 . 1 1 48 48 LEU C C 48 178.022 178.022 178.475 -0.453 18521 13854 1 15 . 1 1 48 48 LEU CA C 48 57.695 57.695 57.483 0.213 18521 13855 1 15 . 1 1 48 48 LEU CB C 48 41.236 41.236 41.669 -0.433 18521 13856 1 15 . 1 1 48 48 LEU H H 48 7.723 7.723 8.008 -0.285 18521 13857 1 15 . 1 1 49 49 ALA N N 49 120.883 120.883 120.513 0.370 18521 13858 1 15 . 1 1 49 49 ALA HA H 49 3.854 3.854 3.895 -0.041 18521 13859 1 15 . 1 1 49 49 ALA C C 49 178.770 178.770 179.396 -0.626 18521 13860 1 15 . 1 1 49 49 ALA CA C 49 55.836 55.836 55.159 0.677 18521 13861 1 15 . 1 1 49 49 ALA CB C 49 17.137 17.137 18.262 -1.125 18521 13862 1 15 . 1 1 49 49 ALA H H 49 8.210 8.210 7.932 0.278 18521 13863 1 15 . 1 1 50 50 THR N N 50 113.676 113.676 115.259 -1.583 18521 13864 1 15 . 1 1 50 50 THR HA H 50 3.765 3.765 3.854 -0.089 18521 13865 1 15 . 1 1 50 50 THR C C 50 175.836 175.836 176.284 -0.448 18521 13866 1 15 . 1 1 50 50 THR CA C 50 66.975 66.975 67.760 -0.785 18521 13867 1 15 . 1 1 50 50 THR CB C 50 68.976 68.976 68.670 0.306 18521 13868 1 15 . 1 1 50 50 THR H H 50 7.891 7.891 7.527 0.364 18521 13869 1 15 . 1 1 51 51 GLU N N 51 123.445 123.445 122.378 1.067 18521 13870 1 15 . 1 1 51 51 GLU HA H 51 4.221 4.221 4.031 0.190 18521 13871 1 15 . 1 1 51 51 GLU C C 51 179.906 179.906 178.811 1.095 18521 13872 1 15 . 1 1 51 51 GLU CA C 51 59.436 59.436 59.272 0.164 18521 13873 1 15 . 1 1 51 51 GLU CB C 51 29.498 29.498 29.658 -0.160 18521 13874 1 15 . 1 1 51 51 GLU H H 51 7.877 7.877 7.765 0.112 18521 13875 1 15 . 1 1 52 52 LEU N N 52 121.629 121.629 119.405 2.224 18521 13876 1 15 . 1 1 52 52 LEU HA H 52 3.907 3.907 4.007 -0.100 18521 13877 1 15 . 1 1 52 52 LEU C C 52 178.993 178.993 179.118 -0.125 18521 13878 1 15 . 1 1 52 52 LEU CA C 52 57.840 57.840 57.678 0.162 18521 13879 1 15 . 1 1 52 52 LEU CB C 52 42.076 42.076 41.795 0.281 18521 13880 1 15 . 1 1 52 52 LEU H H 52 8.670 8.670 7.527 1.143 18521 13881 1 15 . 1 1 53 53 LEU N N 53 119.996 119.996 120.042 -0.046 18521 13882 1 15 . 1 1 53 53 LEU HA H 53 3.949 3.949 3.793 0.156 18521 13883 1 15 . 1 1 53 53 LEU C C 53 179.950 179.950 179.037 0.913 18521 13884 1 15 . 1 1 53 53 LEU CA C 53 58.480 58.480 58.115 0.365 18521 13885 1 15 . 1 1 53 53 LEU CB C 53 41.341 41.341 41.038 0.303 18521 13886 1 15 . 1 1 53 53 LEU H H 53 8.336 8.336 7.669 0.667 18521 13887 1 15 . 1 1 54 54 ASP N N 54 120.632 120.632 119.740 0.892 18521 13888 1 15 . 1 1 54 54 ASP HA H 54 4.409 4.409 4.493 -0.084 18521 13889 1 15 . 1 1 54 54 ASP C C 54 179.383 179.383 179.094 0.289 18521 13890 1 15 . 1 1 54 54 ASP CA C 54 57.510 57.510 57.493 0.017 18521 13891 1 15 . 1 1 54 54 ASP CB C 54 40.275 40.275 40.121 0.154 18521 13892 1 15 . 1 1 54 54 ASP H H 54 7.884 7.884 7.832 0.052 18521 13893 1 15 . 1 1 55 55 THR N N 55 121.006 121.006 118.211 2.795 18521 13894 1 15 . 1 1 55 55 THR HA H 55 3.923 3.923 4.088 -0.165 18521 13895 1 15 . 1 1 55 55 THR C C 55 177.066 177.066 176.798 0.268 18521 13896 1 15 . 1 1 55 55 THR CA C 55 67.018 67.018 67.312 -0.295 18521 13897 1 15 . 1 1 55 55 THR CB C 55 68.725 68.725 68.910 -0.185 18521 13898 1 15 . 1 1 55 55 THR H H 55 8.279 8.279 7.586 0.693 18521 13899 1 15 . 1 1 56 56 ILE N N 56 125.465 125.465 122.981 2.484 18521 13900 1 15 . 1 1 56 56 ILE HA H 56 3.748 3.748 3.822 -0.074 18521 13901 1 15 . 1 1 56 56 ILE C C 56 177.879 177.879 177.767 0.112 18521 13902 1 15 . 1 1 56 56 ILE CA C 56 65.765 65.765 66.945 -1.180 18521 13903 1 15 . 1 1 56 56 ILE CB C 56 38.646 38.646 37.955 0.691 18521 13904 1 15 . 1 1 56 56 ILE H H 56 8.872 8.872 8.708 0.164 18521 13905 1 15 . 1 1 57 57 GLU N N 57 119.951 119.951 120.166 -0.215 18521 13906 1 15 . 1 1 57 57 GLU HA H 57 4.034 4.034 3.943 0.091 18521 13907 1 15 . 1 1 57 57 GLU C C 57 179.357 179.357 178.756 0.601 18521 13908 1 15 . 1 1 57 57 GLU CA C 57 59.241 59.241 59.822 -0.580 18521 13909 1 15 . 1 1 57 57 GLU CB C 57 29.226 29.226 29.738 -0.512 18521 13910 1 15 . 1 1 57 57 GLU H H 57 8.024 8.024 8.524 -0.500 18521 13911 1 15 . 1 1 58 58 ALA N N 58 122.402 122.402 122.305 0.097 18521 13912 1 15 . 1 1 58 58 ALA HA H 58 4.044 4.044 4.127 -0.083 18521 13913 1 15 . 1 1 58 58 ALA C C 58 180.049 180.049 179.627 0.422 18521 13914 1 15 . 1 1 58 58 ALA CA C 58 55.167 55.167 55.014 0.153 18521 13915 1 15 . 1 1 58 58 ALA CB C 58 17.836 17.836 18.267 -0.431 18521 13916 1 15 . 1 1 58 58 ALA H H 58 8.026 8.026 8.199 -0.173 18521 13917 1 15 . 1 1 59 59 PHE N N 59 122.034 122.034 120.698 1.336 18521 13918 1 15 . 1 1 59 59 PHE HA H 59 4.165 4.165 4.171 -0.006 18521 13919 1 15 . 1 1 59 59 PHE C C 59 177.169 177.169 177.331 -0.162 18521 13920 1 15 . 1 1 59 59 PHE CA C 59 61.373 61.373 61.479 -0.106 18521 13921 1 15 . 1 1 59 59 PHE CB C 59 39.384 39.384 39.584 -0.200 18521 13922 1 15 . 1 1 59 59 PHE H H 59 8.243 8.243 8.850 -0.607 18521 13923 1 15 . 1 1 60 60 LYS N N 60 117.415 117.415 119.459 -2.044 18521 13924 1 15 . 1 1 60 60 LYS HA H 60 3.490 3.490 3.678 -0.188 18521 13925 1 15 . 1 1 60 60 LYS C C 60 179.705 179.705 178.451 1.254 18521 13926 1 15 . 1 1 60 60 LYS CA C 60 60.051 60.051 59.394 0.657 18521 13927 1 15 . 1 1 60 60 LYS CB C 60 32.376 32.376 32.489 -0.113 18521 13928 1 15 . 1 1 60 60 LYS H H 60 7.978 7.978 8.716 -0.738 18521 13929 1 15 . 1 1 61 61 LYS N N 61 119.540 119.540 118.759 0.781 18521 13930 1 15 . 1 1 61 61 LYS HA H 61 3.942 3.942 3.987 -0.045 18521 13931 1 15 . 1 1 61 61 LYS C C 61 178.728 178.728 178.705 0.023 18521 13932 1 15 . 1 1 61 61 LYS CA C 61 58.878 58.878 59.376 -0.498 18521 13933 1 15 . 1 1 61 61 LYS CB C 61 32.626 32.626 32.316 0.311 18521 13934 1 15 . 1 1 61 61 LYS H H 61 7.853 7.853 8.126 -0.273 18521 13935 1 15 . 1 1 62 62 GLU N N 62 121.166 121.166 116.510 4.656 18521 13936 1 15 . 1 1 62 62 GLU HA H 62 3.933 3.933 4.048 -0.115 18521 13937 1 15 . 1 1 62 62 GLU C C 62 178.405 178.405 177.274 1.131 18521 13938 1 15 . 1 1 62 62 GLU CA C 62 58.655 58.655 58.505 0.150 18521 13939 1 15 . 1 1 62 62 GLU CB C 62 29.439 29.439 29.669 -0.231 18521 13940 1 15 . 1 1 62 62 GLU H H 62 7.956 7.956 7.809 0.147 18521 13941 1 15 . 1 1 63 63 ILE N N 63 117.896 117.896 116.668 1.228 18521 13942 1 15 . 1 1 63 63 ILE HA H 63 3.707 3.707 4.201 -0.494 18521 13943 1 15 . 1 1 63 63 ILE C C 63 177.438 177.438 176.790 0.648 18521 13944 1 15 . 1 1 63 63 ILE CA C 63 61.473 61.473 60.342 1.131 18521 13945 1 15 . 1 1 63 63 ILE CB C 63 36.546 36.546 38.970 -2.424 18521 13946 1 15 . 1 1 63 63 ILE H H 63 7.652 7.652 7.282 0.370 18521 13947 1 15 . 1 1 64 64 GLY N N 64 108.028 108.028 109.709 -1.681 18521 13948 1 15 . 1 1 64 64 GLY C C 64 175.261 175.261 175.082 0.179 18521 13949 1 15 . 1 1 64 64 GLY CA C 64 45.891 45.891 46.991 -1.100 18521 13950 1 15 . 1 1 64 64 GLY H H 64 7.654 7.654 8.254 -0.600 18521 13951 1 15 . 1 1 65 65 GLY N N 65 108.488 108.488 107.409 1.079 18521 13952 1 15 . 1 1 65 65 GLY C C 65 174.844 174.844 175.336 -0.492 18521 13953 1 15 . 1 1 65 65 GLY CA C 65 45.608 45.608 45.107 0.501 18521 13954 1 15 . 1 1 65 65 GLY H H 65 7.817 7.817 8.271 -0.454 18521 13955 1 15 . 1 1 66 66 GLU N N 66 121.078 121.078 118.759 2.319 18521 13956 1 15 . 1 1 66 66 GLU HA H 66 4.167 4.167 4.132 0.035 18521 13957 1 15 . 1 1 66 66 GLU C C 66 177.218 177.218 176.892 0.326 18521 13958 1 15 . 1 1 66 66 GLU CA C 66 57.075 57.075 58.823 -1.748 18521 13959 1 15 . 1 1 66 66 GLU CB C 66 30.015 30.015 29.934 0.081 18521 13960 1 15 . 1 1 66 66 GLU H H 66 8.195 8.195 8.715 -0.520 18521 13961 1 15 . 1 1 67 67 SER N N 67 116.370 116.370 110.526 5.844 18521 13962 1 15 . 1 1 67 67 SER HA H 67 4.187 4.187 4.554 -0.367 18521 13963 1 15 . 1 1 67 67 SER C C 67 174.670 174.670 175.516 -0.846 18521 13964 1 15 . 1 1 67 67 SER CA C 67 58.875 58.875 59.881 -1.006 18521 13965 1 15 . 1 1 67 67 SER CB C 67 63.783 63.783 64.660 -0.877 18521 13966 1 15 . 1 1 67 67 SER H H 67 8.205 8.205 8.204 0.001 18521 13967 1 15 . 1 1 68 68 GLU N N 68 122.388 122.388 122.653 -0.265 18521 13968 1 15 . 1 1 68 68 GLU HA H 68 4.173 4.173 4.131 0.042 18521 13969 1 15 . 1 1 68 68 GLU C C 68 176.364 176.364 178.143 -1.779 18521 13970 1 15 . 1 1 68 68 GLU CA C 68 56.734 56.734 58.940 -2.206 18521 13971 1 15 . 1 1 68 68 GLU CB C 68 29.986 29.986 29.298 0.688 18521 13972 1 15 . 1 1 68 68 GLU H H 68 8.170 8.170 8.780 -0.610 18521 13973 1 15 . 1 1 69 69 ALA N N 69 124.265 124.265 120.346 3.919 18521 13974 1 15 . 1 1 69 69 ALA HA H 69 4.212 4.212 4.371 -0.159 18521 13975 1 15 . 1 1 69 69 ALA C C 69 178.042 178.042 178.898 -0.856 18521 13976 1 15 . 1 1 69 69 ALA CA C 69 52.468 52.468 54.505 -2.037 18521 13977 1 15 . 1 1 69 69 ALA CB C 69 19.411 19.411 18.276 1.135 18521 13978 1 15 . 1 1 69 69 ALA H H 69 7.931 7.931 7.948 -0.017 18521 13979 1 15 . 1 1 70 70 GLU N N 70 121.086 121.086 117.580 3.506 18521 13980 1 15 . 1 1 70 70 GLU HA H 70 4.110 4.110 4.017 0.093 18521 13981 1 15 . 1 1 70 70 GLU C C 70 180.047 180.047 178.184 1.863 18521 13982 1 15 . 1 1 70 70 GLU CA C 70 57.325 57.325 58.806 -1.481 18521 13983 1 15 . 1 1 70 70 GLU CB C 70 29.969 29.969 29.569 0.400 18521 13984 1 15 . 1 1 70 70 GLU H H 70 8.447 8.447 7.765 0.682 18521 13985 1 15 . 1 1 71 71 ASP N N 71 120.210 120.210 118.170 2.040 18521 13986 1 15 . 1 1 71 71 ASP HA H 71 4.545 4.545 4.480 0.065 18521 13987 1 15 . 1 1 71 71 ASP C C 71 176.385 176.385 176.883 -0.498 18521 13988 1 15 . 1 1 71 71 ASP CA C 71 54.149 54.149 56.403 -2.254 18521 13989 1 15 . 1 1 71 71 ASP CB C 71 40.756 40.756 41.207 -0.451 18521 13990 1 15 . 1 1 71 71 ASP H H 71 8.308 8.308 7.571 0.737 18521 13991 1 15 . 1 1 72 72 SER N N 72 116.137 116.137 113.378 2.759 18521 13992 1 15 . 1 1 72 72 SER HA H 72 4.259 4.259 4.641 -0.382 18521 13993 1 15 . 1 1 72 72 SER C C 72 174.578 174.578 173.033 1.545 18521 13994 1 15 . 1 1 72 72 SER CA C 72 58.851 58.851 57.907 0.945 18521 13995 1 15 . 1 1 72 72 SER CB C 72 63.870 63.870 63.271 0.599 18521 13996 1 15 . 1 1 72 72 SER H H 72 7.954 7.954 7.732 0.222 18521 13997 1 15 . 1 1 73 73 ASP N N 73 122.500 122.500 125.075 -2.575 18521 13998 1 15 . 1 1 73 73 ASP HA H 73 4.534 4.534 4.761 -0.227 18521 13999 1 15 . 1 1 73 73 ASP C C 73 176.903 176.903 176.265 0.638 18521 14000 1 15 . 1 1 73 73 ASP CA C 73 54.442 54.442 54.215 0.227 18521 14001 1 15 . 1 1 73 73 ASP CB C 73 41.253 41.253 40.104 1.149 18521 14002 1 15 . 1 1 73 73 ASP H H 73 8.384 8.384 8.815 -0.431 18521 14003 1 15 . 1 1 74 74 LYS N N 74 123.374 123.374 119.903 3.471 18521 14004 1 15 . 1 1 74 74 LYS HA H 74 4.099 4.099 4.344 -0.245 18521 14005 1 15 . 1 1 74 74 LYS C C 74 177.606 177.606 178.640 -1.034 18521 14006 1 15 . 1 1 74 74 LYS CA C 74 57.527 57.527 58.531 -1.004 18521 14007 1 15 . 1 1 74 74 LYS CB C 74 32.115 32.115 33.327 -1.212 18521 14008 1 15 . 1 1 74 74 LYS H H 74 8.338 8.338 7.655 0.683 18521 14009 1 15 . 1 1 75 75 SER N N 75 116.404 116.404 115.326 1.078 18521 14010 1 15 . 1 1 75 75 SER HA H 75 4.190 4.190 4.282 -0.092 18521 14011 1 15 . 1 1 75 75 SER C C 75 176.030 176.030 176.281 -0.251 18521 14012 1 15 . 1 1 75 75 SER CA C 75 60.560 60.560 61.157 -0.597 18521 14013 1 15 . 1 1 75 75 SER CB C 75 62.971 62.971 62.749 0.222 18521 14014 1 15 . 1 1 75 75 SER H H 75 8.409 8.409 8.277 0.132 18521 14015 1 15 . 1 1 76 76 LEU N N 76 123.753 123.753 123.439 0.314 18521 14016 1 15 . 1 1 76 76 LEU HA H 76 4.121 4.121 4.099 0.022 18521 14017 1 15 . 1 1 76 76 LEU C C 76 178.263 178.263 177.480 0.783 18521 14018 1 15 . 1 1 76 76 LEU CA C 76 56.665 56.665 57.513 -0.848 18521 14019 1 15 . 1 1 76 76 LEU CB C 76 41.538 41.538 41.580 -0.042 18521 14020 1 15 . 1 1 76 76 LEU H H 76 8.068 8.068 7.991 0.077 18521 14021 1 15 . 1 1 77 77 HIS N N 77 120.235 120.235 117.768 2.467 18521 14022 1 15 . 1 1 77 77 HIS HA H 77 4.372 4.372 4.159 0.213 18521 14023 1 15 . 1 1 77 77 HIS C C 77 177.974 177.974 177.021 0.953 18521 14024 1 15 . 1 1 77 77 HIS CA C 77 58.504 58.504 59.852 -1.348 18521 14025 1 15 . 1 1 77 77 HIS CB C 77 30.124 30.124 29.469 0.655 18521 14026 1 15 . 1 1 77 77 HIS H H 77 7.955 7.955 8.153 -0.198 18521 14027 1 15 . 1 1 78 78 VAL N N 78 121.721 121.721 120.373 1.348 18521 14028 1 15 . 1 1 78 78 VAL HA H 78 3.612 3.612 3.661 -0.049 18521 14029 1 15 . 1 1 78 78 VAL C C 78 177.688 177.688 177.818 -0.130 18521 14030 1 15 . 1 1 78 78 VAL CA C 78 65.817 65.817 65.871 -0.053 18521 14031 1 15 . 1 1 78 78 VAL CB C 78 31.729 31.729 31.405 0.324 18521 14032 1 15 . 1 1 78 78 VAL H H 78 7.953 7.953 7.463 0.490 18521 14033 1 15 . 1 1 79 79 MET N N 79 119.138 119.138 118.891 0.247 18521 14034 1 15 . 1 1 79 79 MET HA H 79 3.879 3.879 3.969 -0.090 18521 14035 1 15 . 1 1 79 79 MET C C 79 180.609 180.609 177.917 2.692 18521 14036 1 15 . 1 1 79 79 MET CA C 79 59.210 59.210 59.371 -0.161 18521 14037 1 15 . 1 1 79 79 MET CB C 79 34.157 34.157 32.252 1.905 18521 14038 1 15 . 1 1 79 79 MET H H 79 8.132 8.132 8.086 0.046 18521 14039 1 15 . 1 1 80 80 ASN N N 80 117.000 117.000 117.253 -0.253 18521 14040 1 15 . 1 1 80 80 ASN HA H 80 4.161 4.161 4.532 -0.371 18521 14041 1 15 . 1 1 80 80 ASN C C 80 178.212 178.212 176.995 1.217 18521 14042 1 15 . 1 1 80 80 ASN CA C 80 56.827 56.827 56.514 0.313 18521 14043 1 15 . 1 1 80 80 ASN CB C 80 38.920 38.920 37.773 1.147 18521 14044 1 15 . 1 1 80 80 ASN H H 80 8.195 8.195 8.442 -0.247 18521 14045 1 15 . 1 1 81 81 THR N N 81 116.021 116.021 116.988 -0.967 18521 14046 1 15 . 1 1 81 81 THR HA H 81 3.975 3.975 3.939 0.036 18521 14047 1 15 . 1 1 81 81 THR C C 81 175.237 175.237 176.307 -1.070 18521 14048 1 15 . 1 1 81 81 THR CA C 81 66.507 66.507 66.392 0.115 18521 14049 1 15 . 1 1 81 81 THR CB C 81 68.813 68.813 68.590 0.223 18521 14050 1 15 . 1 1 81 81 THR H H 81 7.952 7.952 7.741 0.211 18521 14051 1 15 . 1 1 82 82 LEU N N 82 119.041 119.041 120.945 -1.904 18521 14052 1 15 . 1 1 82 82 LEU HA H 82 4.040 4.040 4.061 -0.021 18521 14053 1 15 . 1 1 82 82 LEU C C 82 177.541 177.541 179.092 -1.551 18521 14054 1 15 . 1 1 82 82 LEU CA C 82 56.468 56.468 58.103 -1.635 18521 14055 1 15 . 1 1 82 82 LEU CB C 82 42.247 42.247 41.585 0.662 18521 14056 1 15 . 1 1 82 82 LEU H H 82 7.655 7.655 7.614 0.041 18521 14057 1 15 . 1 1 83 83 ILE N N 83 118.063 118.063 116.887 1.176 18521 14058 1 15 . 1 1 83 83 ILE HA H 83 3.805 3.805 3.938 -0.133 18521 14059 1 15 . 1 1 83 83 ILE C C 83 176.681 176.681 178.016 -1.335 18521 14060 1 15 . 1 1 83 83 ILE CA C 83 63.188 63.188 64.156 -0.968 18521 14061 1 15 . 1 1 83 83 ILE CB C 83 37.939 37.939 38.195 -0.256 18521 14062 1 15 . 1 1 83 83 ILE H H 83 7.455 7.455 7.214 0.241 18521 14063 1 15 . 1 1 84 84 HIS N N 84 116.118 116.118 115.727 0.391 18521 14064 1 15 . 1 1 84 84 HIS HA H 84 4.568 4.568 4.474 0.094 18521 14065 1 15 . 1 1 84 84 HIS C C 84 175.568 175.568 175.582 -0.014 18521 14066 1 15 . 1 1 84 84 HIS CA C 84 58.425 58.425 58.931 -0.506 18521 14067 1 15 . 1 1 84 84 HIS CB C 84 31.801 31.801 30.920 0.881 18521 14068 1 15 . 1 1 84 84 HIS H H 84 7.168 7.168 8.616 -1.448 18521 14069 1 15 . 1 1 85 85 ASP N N 85 122.411 122.411 119.622 2.789 18521 14070 1 15 . 1 1 85 85 ASP HA H 85 4.546 4.546 4.763 -0.217 18521 14071 1 15 . 1 1 85 85 ASP C C 85 175.527 175.527 176.487 -0.960 18521 14072 1 15 . 1 1 85 85 ASP CA C 85 53.215 53.215 53.136 0.079 18521 14073 1 15 . 1 1 85 85 ASP CB C 85 40.936 40.936 40.783 0.153 18521 14074 1 15 . 1 1 85 85 ASP H H 85 8.576 8.576 8.052 0.524 18521 14075 1 15 . 1 1 86 86 GLN N N 86 122.561 122.561 126.721 -4.160 18521 14076 1 15 . 1 1 86 86 GLN HA H 86 4.077 4.077 4.179 -0.102 18521 14077 1 15 . 1 1 86 86 GLN C C 86 178.518 178.518 177.869 0.649 18521 14078 1 15 . 1 1 86 86 GLN CA C 86 57.816 57.816 58.682 -0.866 18521 14079 1 15 . 1 1 86 86 GLN CB C 86 29.165 29.165 28.873 0.292 18521 14080 1 15 . 1 1 86 86 GLN H H 86 8.715 8.715 8.505 0.210 18521 14081 1 15 . 1 1 87 87 GLU N N 87 121.616 121.616 120.290 1.326 18521 14082 1 15 . 1 1 87 87 GLU HA H 87 4.042 4.042 3.689 0.353 18521 14083 1 15 . 1 1 87 87 GLU C C 87 178.154 178.154 178.136 0.018 18521 14084 1 15 . 1 1 87 87 GLU CA C 87 59.051 59.051 59.671 -0.620 18521 14085 1 15 . 1 1 87 87 GLU CB C 87 29.231 29.231 29.097 0.134 18521 14086 1 15 . 1 1 87 87 GLU H H 87 8.073 8.073 7.893 0.180 18521 14087 1 15 . 1 1 88 88 LYS N N 88 119.006 119.006 119.220 -0.214 18521 14088 1 15 . 1 1 88 88 LYS HA H 88 3.754 3.754 4.060 -0.306 18521 14089 1 15 . 1 1 88 88 LYS C C 88 177.129 177.129 178.627 -1.498 18521 14090 1 15 . 1 1 88 88 LYS CA C 88 59.721 59.721 59.135 0.586 18521 14091 1 15 . 1 1 88 88 LYS CB C 88 32.253 32.253 32.249 0.004 18521 14092 1 15 . 1 1 88 88 LYS H H 88 7.525 7.525 8.322 -0.797 18521 14093 1 15 . 1 1 89 89 ALA N N 89 121.945 121.945 121.645 0.300 18521 14094 1 15 . 1 1 89 89 ALA HA H 89 3.734 3.734 4.054 -0.320 18521 14095 1 15 . 1 1 89 89 ALA C C 89 177.545 177.545 179.028 -1.483 18521 14096 1 15 . 1 1 89 89 ALA CA C 89 55.977 55.977 55.187 0.790 18521 14097 1 15 . 1 1 89 89 ALA CB C 89 18.763 18.763 18.022 0.741 18521 14098 1 15 . 1 1 89 89 ALA H H 89 8.472 8.472 8.034 0.438 18521 14099 1 15 . 1 1 90 90 LYS N N 90 117.743 117.743 118.941 -1.198 18521 14100 1 15 . 1 1 90 90 LYS HA H 90 4.015 4.015 2.812 1.203 18521 14101 1 15 . 1 1 90 90 LYS C C 90 177.667 177.667 178.443 -0.776 18521 14102 1 15 . 1 1 90 90 LYS CA C 90 58.703 58.703 58.789 -0.086 18521 14103 1 15 . 1 1 90 90 LYS CB C 90 32.779 32.779 31.517 1.262 18521 14104 1 15 . 1 1 90 90 LYS H H 90 6.684 6.684 7.712 -1.028 18521 14105 1 15 . 1 1 91 91 ILE N N 91 117.216 117.216 118.926 -1.710 18521 14106 1 15 . 1 1 91 91 ILE HA H 91 3.414 3.414 3.590 -0.176 18521 14107 1 15 . 1 1 91 91 ILE C C 91 178.422 178.422 177.823 0.599 18521 14108 1 15 . 1 1 91 91 ILE CA C 91 64.094 64.094 65.110 -1.016 18521 14109 1 15 . 1 1 91 91 ILE CB C 91 37.481 37.481 37.793 -0.312 18521 14110 1 15 . 1 1 91 91 ILE H H 91 7.196 7.196 7.305 -0.109 18521 14111 1 15 . 1 1 92 92 TYR N N 92 122.201 122.201 121.150 1.051 18521 14112 1 15 . 1 1 92 92 TYR HA H 92 4.047 4.047 4.119 -0.072 18521 14113 1 15 . 1 1 92 92 TYR C C 92 177.726 177.726 177.367 0.359 18521 14114 1 15 . 1 1 92 92 TYR CA C 92 61.771 61.771 61.513 0.258 18521 14115 1 15 . 1 1 92 92 TYR CB C 92 39.295 39.295 38.278 1.017 18521 14116 1 15 . 1 1 92 92 TYR H H 92 8.466 8.466 7.735 0.731 18521 14117 1 15 . 1 1 93 93 MET N N 93 117.420 117.420 119.683 -2.263 18521 14118 1 15 . 1 1 93 93 MET HA H 93 3.896 3.896 3.883 0.013 18521 14119 1 15 . 1 1 93 93 MET C C 93 180.221 180.221 177.735 2.486 18521 14120 1 15 . 1 1 93 93 MET CA C 93 57.586 57.586 58.258 -0.672 18521 14121 1 15 . 1 1 93 93 MET CB C 93 30.854 30.854 32.224 -1.370 18521 14122 1 15 . 1 1 93 93 MET H H 93 8.269 8.269 8.781 -0.512 18521 14123 1 15 . 1 1 94 94 LEU N N 94 125.183 125.183 120.210 4.973 18521 14124 1 15 . 1 1 94 94 LEU HA H 94 3.826 3.826 3.876 -0.050 18521 14125 1 15 . 1 1 94 94 LEU C C 94 177.787 177.787 178.187 -0.400 18521 14126 1 15 . 1 1 94 94 LEU CA C 94 58.729 58.729 58.519 0.210 18521 14127 1 15 . 1 1 94 94 LEU CB C 94 42.188 42.188 41.634 0.554 18521 14128 1 15 . 1 1 94 94 LEU H H 94 8.733 8.733 8.518 0.215 18521 14129 1 15 . 1 1 95 95 ASN N N 95 121.517 121.517 118.461 3.056 18521 14130 1 15 . 1 1 95 95 ASN HA H 95 4.184 4.184 4.281 -0.097 18521 14131 1 15 . 1 1 95 95 ASN C C 95 178.481 178.481 177.574 0.907 18521 14132 1 15 . 1 1 95 95 ASN CA C 95 56.312 56.312 56.426 -0.114 18521 14133 1 15 . 1 1 95 95 ASN H H 95 8.951 8.951 8.256 0.695 18521 14134 1 15 . 1 1 96 96 PHE N N 96 122.778 122.778 121.220 1.558 18521 14135 1 15 . 1 1 96 96 PHE HA H 96 4.341 4.341 4.123 0.218 18521 14136 1 15 . 1 1 96 96 PHE C C 96 177.925 177.925 176.952 0.973 18521 14137 1 15 . 1 1 96 96 PHE CA C 96 62.427 62.427 62.326 0.101 18521 14138 1 15 . 1 1 96 96 PHE H H 96 8.454 8.454 8.344 0.110 18521 14139 1 15 . 1 1 97 97 THR N N 97 117.115 117.115 116.651 0.464 18521 14140 1 15 . 1 1 97 97 THR HA H 97 3.369 3.369 3.829 -0.460 18521 14141 1 15 . 1 1 97 97 THR C C 97 176.185 176.185 176.820 -0.635 18521 14142 1 15 . 1 1 97 97 THR CA C 97 68.090 68.090 67.254 0.836 18521 14143 1 15 . 1 1 97 97 THR CB C 97 68.087 68.087 68.275 -0.188 18521 14144 1 15 . 1 1 97 97 THR H H 97 8.209 8.209 8.629 -0.420 18521 14145 1 15 . 1 1 98 98 MET N N 98 119.373 119.373 120.465 -1.092 18521 14146 1 15 . 1 1 98 98 MET HA H 98 4.360 4.360 4.404 -0.044 18521 14147 1 15 . 1 1 98 98 MET C C 98 177.887 177.887 178.576 -0.689 18521 14148 1 15 . 1 1 98 98 MET CA C 98 58.143 58.143 58.017 0.126 18521 14149 1 15 . 1 1 98 98 MET CB C 98 31.948 31.948 31.540 0.408 18521 14150 1 15 . 1 1 98 98 MET H H 98 8.958 8.958 8.868 0.090 18521 14151 1 15 . 1 1 99 99 SER N N 99 114.517 114.517 116.552 -2.035 18521 14152 1 15 . 1 1 99 99 SER HA H 99 4.043 4.043 4.150 -0.107 18521 14153 1 15 . 1 1 99 99 SER C C 99 176.195 176.195 176.758 -0.563 18521 14154 1 15 . 1 1 99 99 SER CA C 99 62.481 62.481 61.757 0.724 18521 14155 1 15 . 1 1 99 99 SER CB C 99 62.692 62.692 62.480 0.212 18521 14156 1 15 . 1 1 99 99 SER H H 99 7.708 7.708 8.207 -0.499 18521 14157 1 15 . 1 1 100 100 LEU N N 100 125.126 125.126 123.950 1.176 18521 14158 1 15 . 1 1 100 100 LEU HA H 100 3.913 3.913 4.032 -0.119 18521 14159 1 15 . 1 1 100 100 LEU C C 100 177.327 177.327 178.131 -0.804 18521 14160 1 15 . 1 1 100 100 LEU CA C 100 58.005 58.005 57.292 0.713 18521 14161 1 15 . 1 1 100 100 LEU CB C 100 41.841 41.841 41.662 0.179 18521 14162 1 15 . 1 1 100 100 LEU H H 100 7.277 7.277 7.759 -0.482 18521 14163 1 15 . 1 1 101 101 TYR N N 101 120.940 120.940 119.696 1.244 18521 14164 1 15 . 1 1 101 101 TYR HA H 101 4.143 4.143 4.226 -0.083 18521 14165 1 15 . 1 1 101 101 TYR C C 101 176.784 176.784 177.450 -0.666 18521 14166 1 15 . 1 1 101 101 TYR CA C 101 61.543 61.543 60.172 1.371 18521 14167 1 15 . 1 1 101 101 TYR CB C 101 40.909 40.909 38.266 2.643 18521 14168 1 15 . 1 1 101 101 TYR H H 101 8.858 8.858 8.858 -0.000 18521 14169 1 15 . 1 1 102 102 ASN N N 102 119.067 119.067 117.716 1.351 18521 14170 1 15 . 1 1 102 102 ASN HA H 102 4.116 4.116 4.100 0.016 18521 14171 1 15 . 1 1 102 102 ASN C C 102 178.713 178.713 177.202 1.511 18521 14172 1 15 . 1 1 102 102 ASN CA C 102 55.734 55.734 55.979 -0.245 18521 14173 1 15 . 1 1 102 102 ASN H H 102 8.700 8.700 8.858 -0.158 18521 14174 1 15 . 1 1 103 103 GLU N N 103 119.558 119.558 120.239 -0.681 18521 14175 1 15 . 1 1 103 103 GLU HA H 103 3.944 3.944 3.924 0.020 18521 14176 1 15 . 1 1 103 103 GLU C C 103 179.012 179.012 178.830 0.182 18521 14177 1 15 . 1 1 103 103 GLU CA C 103 59.506 59.506 59.715 -0.209 18521 14178 1 15 . 1 1 103 103 GLU CB C 103 29.349 29.349 29.523 -0.174 18521 14179 1 15 . 1 1 103 103 GLU H H 103 7.599 7.599 7.865 -0.266 18521 14180 1 15 . 1 1 104 104 LYS N N 104 120.218 120.218 118.511 1.707 18521 14181 1 15 . 1 1 104 104 LYS HA H 104 4.051 4.051 4.056 -0.005 18521 14182 1 15 . 1 1 104 104 LYS C C 104 178.477 178.477 179.033 -0.556 18521 14183 1 15 . 1 1 104 104 LYS CA C 104 56.534 56.534 58.061 -1.527 18521 14184 1 15 . 1 1 104 104 LYS CB C 104 29.108 29.108 32.046 -2.938 18521 14185 1 15 . 1 1 104 104 LYS H H 104 8.311 8.311 7.475 0.836 18521 14186 1 15 . 1 1 105 105 LEU N N 105 122.110 122.110 119.701 2.409 18521 14187 1 15 . 1 1 105 105 LEU HA H 105 3.774 3.774 3.855 -0.081 18521 14188 1 15 . 1 1 105 105 LEU C C 105 180.224 180.224 178.655 1.569 18521 14189 1 15 . 1 1 105 105 LEU CA C 105 58.148 58.148 57.833 0.315 18521 14190 1 15 . 1 1 105 105 LEU CB C 105 42.394 42.394 41.214 1.181 18521 14191 1 15 . 1 1 105 105 LEU H H 105 8.604 8.604 7.957 0.647 18521 14192 1 15 . 1 1 106 106 LYS N N 106 119.031 119.031 119.455 -0.424 18521 14193 1 15 . 1 1 106 106 LYS HA H 106 4.035 4.035 3.856 0.179 18521 14194 1 15 . 1 1 106 106 LYS C C 106 178.496 178.496 179.526 -1.030 18521 14195 1 15 . 1 1 106 106 LYS CA C 106 59.820 59.820 59.354 0.466 18521 14196 1 15 . 1 1 106 106 LYS CB C 106 31.956 31.956 32.130 -0.174 18521 14197 1 15 . 1 1 106 106 LYS H H 106 7.339 7.339 8.040 -0.701 18521 14198 1 15 . 1 1 107 107 GLN N N 107 121.417 121.417 118.679 2.738 18521 14199 1 15 . 1 1 107 107 GLN HA H 107 3.744 3.744 3.841 -0.097 18521 14200 1 15 . 1 1 107 107 GLN C C 107 178.103 178.103 178.435 -0.332 18521 14201 1 15 . 1 1 107 107 GLN CA C 107 58.582 58.582 58.323 0.259 18521 14202 1 15 . 1 1 107 107 GLN CB C 107 26.969 26.969 28.262 -1.293 18521 14203 1 15 . 1 1 107 107 GLN H H 107 7.590 7.590 7.539 0.051 18521 14204 1 15 . 1 1 108 108 LEU N N 108 120.629 120.629 118.469 2.160 18521 14205 1 15 . 1 1 108 108 LEU HA H 108 3.806 3.806 4.467 -0.661 18521 14206 1 15 . 1 1 108 108 LEU C C 108 178.978 178.978 178.340 0.638 18521 14207 1 15 . 1 1 108 108 LEU CA C 108 58.306 58.306 57.535 0.771 18521 14208 1 15 . 1 1 108 108 LEU CB C 108 42.112 42.112 41.701 0.411 18521 14209 1 15 . 1 1 108 108 LEU H H 108 8.450 8.450 7.355 1.095 18521 14210 1 15 . 1 1 109 109 LYS N N 109 119.584 119.584 117.341 2.243 18521 14211 1 15 . 1 1 109 109 LYS HA H 109 4.166 4.166 4.087 0.079 18521 14212 1 15 . 1 1 109 109 LYS C C 109 177.859 177.859 177.151 0.708 18521 14213 1 15 . 1 1 109 109 LYS CA C 109 58.746 58.746 58.747 -0.001 18521 14214 1 15 . 1 1 109 109 LYS CB C 109 32.637 32.637 32.781 -0.144 18521 14215 1 15 . 1 1 109 109 LYS H H 109 7.295 7.295 7.746 -0.451 18521 14216 1 15 . 1 1 110 110 ASP N N 110 116.950 116.950 113.253 3.697 18521 14217 1 15 . 1 1 110 110 ASP HA H 110 4.604 4.604 4.967 -0.363 18521 14218 1 15 . 1 1 110 110 ASP C C 110 177.157 177.157 174.808 2.349 18521 14219 1 15 . 1 1 110 110 ASP CA C 110 55.768 55.768 54.390 1.378 18521 14220 1 15 . 1 1 110 110 ASP CB C 110 42.724 42.724 43.142 -0.417 18521 14221 1 15 . 1 1 110 110 ASP H H 110 7.807 7.807 7.732 0.075 18521 14222 1 15 . 1 1 111 111 GLY N N 111 114.046 114.046 109.808 4.238 18521 14223 1 15 . 1 1 111 111 GLY CA C 111 41.845 41.845 44.262 -2.417 18521 14224 1 15 . 1 1 111 111 GLY H H 111 8.554 8.554 7.400 1.154 18521 14225 1 15 . 1 1 112 112 PRO HA H 112 4.552 4.552 4.063 0.489 18521 14226 1 15 . 1 1 112 112 PRO C C 112 174.967 174.967 175.818 -0.851 18521 14227 1 15 . 1 1 112 112 PRO CA C 112 61.222 61.222 62.809 -1.587 18521 14228 1 15 . 1 1 112 112 PRO CB C 112 35.056 35.056 32.246 2.810 18521 14229 1 15 . 1 1 113 113 TRP N N 113 123.139 123.139 123.609 -0.470 18521 14230 1 15 . 1 1 113 113 TRP HA H 113 4.650 4.650 4.854 -0.204 18521 14231 1 15 . 1 1 113 113 TRP C C 113 174.604 174.604 175.362 -0.758 18521 14232 1 15 . 1 1 113 113 TRP CA C 113 58.154 58.154 56.609 1.545 18521 14233 1 15 . 1 1 113 113 TRP CB C 113 27.048 27.048 31.340 -4.292 18521 14234 1 15 . 1 1 113 113 TRP H H 113 8.671 8.671 8.538 0.133 18521 14235 1 15 . 1 1 114 114 ASP N N 114 121.440 121.440 118.837 2.603 18521 14236 1 15 . 1 1 114 114 ASP HA H 114 4.930 4.930 4.703 0.227 18521 14237 1 15 . 1 1 114 114 ASP C C 114 176.979 176.979 176.344 0.635 18521 14238 1 15 . 1 1 114 114 ASP CA C 114 52.223 52.223 52.825 -0.602 18521 14239 1 15 . 1 1 114 114 ASP CB C 114 43.192 43.192 42.061 1.131 18521 14240 1 15 . 1 1 114 114 ASP H H 114 6.950 6.950 8.108 -1.158 18521 14241 1 15 . 1 1 115 115 VAL N N 115 118.386 118.386 120.340 -1.954 18521 14242 1 15 . 1 1 115 115 VAL HA H 115 3.825 3.825 3.787 0.038 18521 14243 1 15 . 1 1 115 115 VAL C C 115 177.760 177.760 178.177 -0.417 18521 14244 1 15 . 1 1 115 115 VAL CA C 115 65.611 65.611 65.191 0.420 18521 14245 1 15 . 1 1 115 115 VAL CB C 115 31.657 31.657 31.929 -0.272 18521 14246 1 15 . 1 1 115 115 VAL H H 115 8.181 8.181 8.441 -0.260 18521 14247 1 15 . 1 1 116 116 MET N N 116 120.354 120.354 118.038 2.316 18521 14248 1 15 . 1 1 116 116 MET HA H 116 4.284 4.284 4.143 0.141 18521 14249 1 15 . 1 1 116 116 MET C C 116 179.336 179.336 178.644 0.692 18521 14250 1 15 . 1 1 116 116 MET CA C 116 57.392 57.392 59.321 -1.929 18521 14251 1 15 . 1 1 116 116 MET CB C 116 30.450 30.450 31.961 -1.511 18521 14252 1 15 . 1 1 116 116 MET H H 116 7.661 7.661 7.997 -0.336 18521 14253 1 15 . 1 1 117 117 LEU N N 117 125.774 125.774 121.138 4.636 18521 14254 1 15 . 1 1 117 117 LEU HA H 117 4.129 4.129 3.978 0.151 18521 14255 1 15 . 1 1 117 117 LEU C C 117 178.399 178.399 177.950 0.449 18521 14256 1 15 . 1 1 117 117 LEU CA C 117 58.353 58.353 58.658 -0.305 18521 14257 1 15 . 1 1 117 117 LEU CB C 117 40.392 40.392 41.550 -1.157 18521 14258 1 15 . 1 1 117 117 LEU H H 117 8.179 8.179 9.210 -1.031 18521 14259 1 15 . 1 1 118 118 LYS N N 118 118.471 118.471 119.431 -0.960 18521 14260 1 15 . 1 1 118 118 LYS HA H 118 3.824 3.824 3.940 -0.116 18521 14261 1 15 . 1 1 118 118 LYS C C 118 178.259 178.259 179.100 -0.841 18521 14262 1 15 . 1 1 118 118 LYS CA C 118 60.497 60.497 60.206 0.291 18521 14263 1 15 . 1 1 118 118 LYS CB C 118 32.355 32.355 32.527 -0.172 18521 14264 1 15 . 1 1 118 118 LYS H H 118 7.359 7.359 7.752 -0.393 18521 14265 1 15 . 1 1 119 119 ARG N N 119 117.838 117.838 118.875 -1.037 18521 14266 1 15 . 1 1 119 119 ARG HA H 119 4.158 4.158 4.312 -0.154 18521 14267 1 15 . 1 1 119 119 ARG C C 119 180.132 180.132 179.204 0.928 18521 14268 1 15 . 1 1 119 119 ARG CA C 119 59.535 59.535 59.464 0.071 18521 14269 1 15 . 1 1 119 119 ARG CB C 119 29.994 29.994 30.387 -0.393 18521 14270 1 15 . 1 1 119 119 ARG H H 119 8.316 8.316 8.582 -0.266 18521 14271 1 15 . 1 1 120 120 SER N N 120 117.258 117.258 116.962 0.296 18521 14272 1 15 . 1 1 120 120 SER HA H 120 4.374 4.374 4.295 0.079 18521 14273 1 15 . 1 1 120 120 SER C C 120 176.034 176.034 176.676 -0.642 18521 14274 1 15 . 1 1 120 120 SER CA C 120 62.728 62.728 62.165 0.563 18521 14275 1 15 . 1 1 120 120 SER CB C 120 63.050 63.050 62.586 0.465 18521 14276 1 15 . 1 1 120 120 SER H H 120 8.598 8.598 8.769 -0.171 18521 14277 1 15 . 1 1 121 121 LEU N N 121 125.307 125.307 122.095 3.212 18521 14278 1 15 . 1 1 121 121 LEU HA H 121 4.192 4.192 4.102 0.090 18521 14279 1 15 . 1 1 121 121 LEU C C 121 179.621 179.621 178.444 1.177 18521 14280 1 15 . 1 1 121 121 LEU CA C 121 58.894 58.894 58.169 0.725 18521 14281 1 15 . 1 1 121 121 LEU CB C 121 41.188 41.188 41.605 -0.417 18521 14282 1 15 . 1 1 121 121 LEU H H 121 8.250 8.250 8.161 0.089 18521 14283 1 15 . 1 1 122 122 TRP N N 122 120.444 120.444 119.020 1.424 18521 14284 1 15 . 1 1 122 122 TRP HA H 122 4.368 4.368 4.337 0.031 18521 14285 1 15 . 1 1 122 122 TRP C C 122 176.943 176.943 179.033 -2.090 18521 14286 1 15 . 1 1 122 122 TRP CA C 122 61.452 61.452 60.523 0.929 18521 14287 1 15 . 1 1 122 122 TRP CB C 122 29.823 29.823 29.281 0.542 18521 14288 1 15 . 1 1 122 122 TRP H H 122 7.873 7.873 7.689 0.184 18521 14289 1 15 . 1 1 123 123 CYS N N 123 120.188 120.188 119.803 0.385 18521 14290 1 15 . 1 1 123 123 CYS HA H 123 4.264 4.264 4.484 -0.220 18521 14291 1 15 . 1 1 123 123 CYS C C 123 176.875 176.875 177.399 -0.524 18521 14292 1 15 . 1 1 123 123 CYS CA C 123 60.573 60.573 61.729 -1.156 18521 14293 1 15 . 1 1 123 123 CYS CB C 123 25.642 25.642 26.462 -0.820 18521 14294 1 15 . 1 1 123 123 CYS H H 123 8.271 8.271 7.947 0.325 18521 14295 1 15 . 1 1 124 124 CYS N N 124 116.760 116.760 119.492 -2.732 18521 14296 1 15 . 1 1 124 124 CYS HA H 124 3.880 3.880 4.055 -0.175 18521 14297 1 15 . 1 1 124 124 CYS C C 124 175.810 175.810 177.203 -1.393 18521 14298 1 15 . 1 1 124 124 CYS CA C 124 65.646 65.646 65.174 0.472 18521 14299 1 15 . 1 1 124 124 CYS CB C 124 28.069 28.069 27.587 0.482 18521 14300 1 15 . 1 1 124 124 CYS H H 124 8.208 8.208 8.080 0.128 18521 14301 1 15 . 1 1 125 125 ILE N N 125 121.167 121.167 121.071 0.096 18521 14302 1 15 . 1 1 125 125 ILE HA H 125 3.580 3.580 3.770 -0.190 18521 14303 1 15 . 1 1 125 125 ILE C C 125 179.302 179.302 177.645 1.657 18521 14304 1 15 . 1 1 125 125 ILE CA C 125 67.663 67.663 65.978 1.685 18521 14305 1 15 . 1 1 125 125 ILE CB C 125 37.988 37.988 37.510 0.478 18521 14306 1 15 . 1 1 125 125 ILE H H 125 8.073 8.073 8.408 -0.335 18521 14307 1 15 . 1 1 126 126 ASP N N 126 124.812 124.812 120.382 4.430 18521 14308 1 15 . 1 1 126 126 ASP HA H 126 4.622 4.622 4.533 0.089 18521 14309 1 15 . 1 1 126 126 ASP C C 126 178.091 178.091 179.113 -1.022 18521 14310 1 15 . 1 1 126 126 ASP CA C 126 58.885 58.885 57.361 1.524 18521 14311 1 15 . 1 1 126 126 ASP CB C 126 40.408 40.408 40.494 -0.086 18521 14312 1 15 . 1 1 126 126 ASP H H 126 8.778 8.778 7.814 0.964 18521 14313 1 15 . 1 1 127 127 LEU N N 127 122.531 122.531 120.121 2.410 18521 14314 1 15 . 1 1 127 127 LEU HA H 127 3.841 3.841 3.858 -0.017 18521 14315 1 15 . 1 1 127 127 LEU C C 127 179.582 179.582 178.991 0.591 18521 14316 1 15 . 1 1 127 127 LEU CA C 127 58.632 58.632 57.816 0.816 18521 14317 1 15 . 1 1 127 127 LEU CB C 127 42.680 42.680 41.595 1.085 18521 14318 1 15 . 1 1 127 127 LEU H H 127 8.888 8.888 7.491 1.397 18521 14319 1 15 . 1 1 128 128 ILE N N 128 121.311 121.311 118.669 2.642 18521 14320 1 15 . 1 1 128 128 ILE HA H 128 3.938 3.938 3.757 0.181 18521 14321 1 15 . 1 1 128 128 ILE C C 128 176.725 176.725 177.983 -1.258 18521 14322 1 15 . 1 1 128 128 ILE CA C 128 60.922 60.922 64.829 -3.908 18521 14323 1 15 . 1 1 128 128 ILE CB C 128 38.971 38.971 37.367 1.604 18521 14324 1 15 . 1 1 128 128 ILE H H 128 7.469 7.469 8.018 -0.549 18521 14325 1 15 . 1 1 129 129 ASN N N 129 122.727 122.727 118.031 4.696 18521 14326 1 15 . 1 1 129 129 ASN HA H 129 4.582 4.582 4.396 0.186 18521 14327 1 15 . 1 1 129 129 ASN C C 129 177.132 177.132 177.241 -0.109 18521 14328 1 15 . 1 1 129 129 ASN CA C 129 52.982 52.982 56.517 -3.535 18521 14329 1 15 . 1 1 129 129 ASN CB C 129 38.792 38.792 38.295 0.497 18521 14330 1 15 . 1 1 129 129 ASN H H 129 8.173 8.173 8.328 -0.155 18521 14331 1 15 . 1 1 130 130 ILE N N 130 120.527 120.527 121.949 -1.422 18521 14332 1 15 . 1 1 130 130 ILE HA H 130 4.305 4.305 2.261 2.044 18521 14333 1 15 . 1 1 130 130 ILE C C 130 175.796 175.796 177.058 -1.262 18521 14334 1 15 . 1 1 130 130 ILE CA C 130 61.246 61.246 63.344 -2.098 18521 14335 1 15 . 1 1 130 130 ILE CB C 130 38.797 38.797 37.221 1.576 18521 14336 1 15 . 1 1 130 130 ILE H H 130 8.096 8.096 7.271 0.825 18521 14337 1 15 . 1 1 131 131 ASP N N 131 122.165 122.165 122.249 -0.084 18521 14338 1 15 . 1 1 131 131 ASP HA H 131 4.416 4.416 3.990 0.426 18521 14339 1 15 . 1 1 131 131 ASP C C 131 176.750 176.750 178.456 -1.706 18521 14340 1 15 . 1 1 131 131 ASP CA C 131 55.955 55.955 57.842 -1.887 18521 14341 1 15 . 1 1 131 131 ASP CB C 131 41.117 41.117 40.606 0.511 18521 14342 1 15 . 1 1 131 131 ASP H H 131 8.157 8.157 7.726 0.431 18521 14343 1 15 . 1 1 132 132 LYS N N 132 119.537 119.537 117.893 1.644 18521 14344 1 15 . 1 1 132 132 LYS HA H 132 4.373 4.373 3.926 0.447 18521 14345 1 15 . 1 1 132 132 LYS C C 132 176.405 176.405 178.141 -1.736 18521 14346 1 15 . 1 1 132 132 LYS CA C 132 55.699 55.699 59.246 -3.547 18521 14347 1 15 . 1 1 132 132 LYS CB C 132 32.822 32.822 32.161 0.661 18521 14348 1 15 . 1 1 132 132 LYS H H 132 8.023 8.023 7.593 0.430 18521 14349 1 15 . 1 1 133 133 LEU N N 133 120.242 120.242 119.752 0.490 18521 14350 1 15 . 1 1 133 133 LEU HA H 133 4.158 4.158 4.271 -0.113 18521 14351 1 15 . 1 1 133 133 LEU C C 133 178.449 178.449 179.671 -1.222 18521 14352 1 15 . 1 1 133 133 LEU CA C 133 57.538 57.538 58.002 -0.464 18521 14353 1 15 . 1 1 133 133 LEU CB C 133 41.572 41.572 42.681 -1.109 18521 14354 1 15 . 1 1 133 133 LEU H H 133 8.024 8.024 7.430 0.594 18521 14355 1 15 . 1 1 134 134 GLN N N 134 117.985 117.985 118.012 -0.027 18521 14356 1 15 . 1 1 134 134 GLN HA H 134 4.018 4.018 3.758 0.260 18521 14357 1 15 . 1 1 134 134 GLN C C 134 179.500 179.500 176.830 2.670 18521 14358 1 15 . 1 1 134 134 GLN CA C 134 58.175 58.175 57.925 0.251 18521 14359 1 15 . 1 1 134 134 GLN CB C 134 29.102 29.102 28.156 0.946 18521 14360 1 15 . 1 1 134 134 GLN H H 134 8.536 8.536 8.190 0.346 18521 14361 1 15 . 1 1 135 135 TRP N N 135 115.550 115.550 115.750 -0.200 18521 14362 1 15 . 1 1 135 135 TRP HA H 135 4.991 4.991 4.882 0.109 18521 14363 1 15 . 1 1 135 135 TRP C C 135 175.170 175.170 175.197 -0.027 18521 14364 1 15 . 1 1 135 135 TRP CA C 135 59.426 59.426 55.980 3.446 18521 14365 1 15 . 1 1 135 135 TRP CB C 135 26.894 26.894 28.271 -1.377 18521 14366 1 15 . 1 1 135 135 TRP H H 135 7.727 7.727 7.356 0.371 18521 14367 1 15 . 1 1 136 136 LYS N N 136 119.841 119.841 120.653 -0.812 18521 14368 1 15 . 1 1 136 136 LYS HA H 136 3.830 3.830 4.032 -0.202 18521 14369 1 15 . 1 1 136 136 LYS C C 136 178.330 178.330 178.735 -0.405 18521 14370 1 15 . 1 1 136 136 LYS CA C 136 60.194 60.194 60.271 -0.077 18521 14371 1 15 . 1 1 136 136 LYS CB C 136 32.902 32.902 32.471 0.431 18521 14372 1 15 . 1 1 136 136 LYS H H 136 6.580 6.580 7.931 -1.351 18521 14373 1 15 . 1 1 137 137 GLU N N 137 115.250 115.250 115.691 -0.441 18521 14374 1 15 . 1 1 137 137 GLU HA H 137 4.177 4.177 4.147 0.030 18521 14375 1 15 . 1 1 137 137 GLU C C 137 176.698 176.698 177.095 -0.397 18521 14376 1 15 . 1 1 137 137 GLU CA C 137 57.766 57.766 58.328 -0.562 18521 14377 1 15 . 1 1 137 137 GLU CB C 137 29.221 29.221 29.303 -0.082 18521 14378 1 15 . 1 1 137 137 GLU H H 137 8.549 8.549 8.725 -0.176 18521 14379 1 15 . 1 1 138 138 ASN N N 138 116.578 116.578 115.723 0.855 18521 14380 1 15 . 1 1 138 138 ASN HA H 138 4.943 4.943 4.752 0.191 18521 14381 1 15 . 1 1 138 138 ASN C C 138 173.448 173.448 174.294 -0.846 18521 14382 1 15 . 1 1 138 138 ASN CA C 138 52.681 52.681 53.229 -0.548 18521 14383 1 15 . 1 1 138 138 ASN CB C 138 40.833 40.833 39.466 1.367 18521 14384 1 15 . 1 1 138 138 ASN H H 138 8.337 8.337 7.681 0.656 18521 14385 1 15 . 1 1 139 139 ILE N N 139 120.835 120.835 120.371 0.464 18521 14386 1 15 . 1 1 139 139 ILE HA H 139 4.339 4.339 4.306 0.033 18521 14387 1 15 . 1 1 139 139 ILE C C 139 175.219 175.219 175.389 -0.170 18521 14388 1 15 . 1 1 139 139 ILE CA C 139 60.867 60.867 60.486 0.382 18521 14389 1 15 . 1 1 139 139 ILE CB C 139 40.270 40.270 39.892 0.378 18521 14390 1 15 . 1 1 139 139 ILE H H 139 7.138 7.138 7.227 -0.089 18521 14391 1 15 . 1 1 140 140 MET N N 140 123.319 123.319 122.470 0.849 18521 14392 1 15 . 1 1 140 140 MET HA H 140 4.324 4.324 4.508 -0.184 18521 14393 1 15 . 1 1 140 140 MET C C 140 177.931 177.931 177.222 0.709 18521 14394 1 15 . 1 1 140 140 MET CA C 140 58.511 58.511 55.497 3.014 18521 14395 1 15 . 1 1 140 140 MET CB C 140 65.156 65.156 64.230 0.926 18521 14396 1 15 . 1 1 140 140 MET H H 140 8.714 8.714 8.745 -0.031 18521 14397 1 15 . 1 1 141 141 LEU N N 141 120.610 120.610 123.922 -3.312 18521 14398 1 15 . 1 1 141 141 LEU HA H 141 4.047 4.047 4.084 -0.037 18521 14399 1 15 . 1 1 141 141 LEU C C 141 177.281 177.281 178.898 -1.617 18521 14400 1 15 . 1 1 141 141 LEU CA C 141 58.362 58.362 58.296 0.066 18521 14401 1 15 . 1 1 141 141 LEU H H 141 8.333 8.333 8.994 -0.661 18521 14402 1 15 . 1 1 142 142 ASP N N 142 121.268 121.268 120.750 0.518 18521 14403 1 15 . 1 1 142 142 ASP HA H 142 4.415 4.415 4.392 0.023 18521 14404 1 15 . 1 1 142 142 ASP C C 142 175.916 175.916 178.167 -2.251 18521 14405 1 15 . 1 1 142 142 ASP CA C 142 54.678 54.678 58.383 -3.705 18521 14406 1 15 . 1 1 142 142 ASP CB C 142 68.329 68.329 68.428 -0.099 18521 14407 1 15 . 1 1 142 142 ASP H H 142 8.199 8.199 8.262 -0.063 18521 14408 1 15 . 1 1 143 143 LEU N N 143 120.218 120.218 121.716 -1.498 18521 14409 1 15 . 1 1 143 143 LEU HA H 143 4.108 4.108 4.079 0.029 18521 14410 1 15 . 1 1 143 143 LEU C C 143 176.205 176.205 178.917 -2.712 18521 14411 1 15 . 1 1 143 143 LEU CA C 143 57.314 57.314 58.417 -1.103 18521 14412 1 15 . 1 1 143 143 LEU CB C 143 39.700 39.700 41.491 -1.791 18521 14413 1 15 . 1 1 143 143 LEU H H 143 7.858 7.858 8.088 -0.230 18521 14414 1 15 . 1 1 144 144 ILE N N 144 121.582 121.582 125.016 -3.434 18521 14415 1 15 . 1 1 144 144 ILE HA H 144 4.083 4.083 3.746 0.337 18521 14416 1 15 . 1 1 144 144 ILE C C 144 177.130 177.130 177.757 -0.627 18521 14417 1 15 . 1 1 144 144 ILE CA C 144 60.697 60.697 66.537 -5.840 18521 14418 1 15 . 1 1 144 144 ILE CB C 144 38.565 38.565 37.660 0.905 18521 14419 1 15 . 1 1 144 144 ILE H H 144 7.948 7.948 8.137 -0.189 18521 14420 1 15 . 1 1 145 145 GLU N N 145 120.974 120.974 121.463 -0.489 18521 14421 1 15 . 1 1 145 145 GLU HA H 145 4.049 4.049 4.196 -0.147 18521 14422 1 15 . 1 1 145 145 GLU C C 145 179.664 179.664 178.509 1.155 18521 14423 1 15 . 1 1 145 145 GLU CA C 145 59.673 59.673 59.401 0.272 18521 14424 1 15 . 1 1 145 145 GLU CB C 145 29.521 29.521 29.724 -0.203 18521 14425 1 15 . 1 1 145 145 GLU H H 145 7.869 7.869 7.900 -0.031 18521 14426 1 15 . 1 1 146 146 GLN N N 146 118.520 118.520 120.142 -1.622 18521 14427 1 15 . 1 1 146 146 GLN HA H 146 4.034 4.034 4.062 -0.028 18521 14428 1 15 . 1 1 146 146 GLN C C 146 178.820 178.820 177.976 0.844 18521 14429 1 15 . 1 1 146 146 GLN CA C 146 58.720 58.720 59.019 -0.298 18521 14430 1 15 . 1 1 146 146 GLN CB C 146 29.312 29.312 28.166 1.146 18521 14431 1 15 . 1 1 146 146 GLN H H 146 8.407 8.407 7.514 0.893 18521 14432 1 15 . 1 1 147 147 GLY N N 147 108.998 108.998 110.143 -1.145 18521 14433 1 15 . 1 1 147 147 GLY HA H 147 3.471 3.471 3.762 -0.291 18521 14434 1 15 . 1 1 147 147 GLY C C 147 175.794 175.794 176.418 -0.624 18521 14435 1 15 . 1 1 147 147 GLY CA C 147 47.525 47.525 48.228 -0.703 18521 14436 1 15 . 1 1 147 147 GLY CB C 147 41.801 41.801 41.237 0.564 18521 14437 1 15 . 1 1 147 147 GLY H H 147 8.059 8.059 7.701 0.358 18521 14438 1 15 . 1 1 148 148 ASP N N 148 124.022 124.022 118.849 5.173 18521 14439 1 15 . 1 1 148 148 ASP HA H 148 4.342 4.342 4.147 0.195 18521 14440 1 15 . 1 1 148 148 ASP C C 148 175.607 175.607 178.529 -2.922 18521 14441 1 15 . 1 1 148 148 ASP CA C 148 57.252 57.252 57.536 -0.284 18521 14442 1 15 . 1 1 148 148 ASP CB C 148 39.918 39.918 40.376 -0.458 18521 14443 1 15 . 1 1 148 148 ASP H H 148 8.522 8.522 8.524 -0.002 18521 14444 1 15 . 1 1 149 149 GLU N N 149 121.333 121.333 119.966 1.367 18521 14445 1 15 . 1 1 149 149 GLU HA H 149 4.008 4.008 3.965 0.043 18521 14446 1 15 . 1 1 149 149 GLU C C 149 175.652 175.652 178.814 -3.162 18521 14447 1 15 . 1 1 149 149 GLU CA C 149 59.394 59.394 59.644 -0.250 18521 14448 1 15 . 1 1 149 149 GLU CB C 149 32.048 32.048 32.260 -0.211 18521 14449 1 15 . 1 1 149 149 GLU H H 149 7.768 7.768 8.100 -0.332 18521 14450 1 15 . 1 1 150 150 LEU N N 150 120.820 120.820 119.478 1.342 18521 14451 1 15 . 1 1 150 150 LEU HA H 150 3.718 3.718 4.048 -0.330 18521 14452 1 15 . 1 1 150 150 LEU C C 150 179.476 179.476 179.288 0.188 18521 14453 1 15 . 1 1 150 150 LEU CA C 150 57.656 57.656 58.000 -0.344 18521 14454 1 15 . 1 1 150 150 LEU CB C 150 28.936 28.936 29.748 -0.812 18521 14455 1 15 . 1 1 150 150 LEU H H 150 8.113 8.113 7.374 0.739 18521 14456 1 15 . 1 1 151 151 GLN N N 151 118.698 118.698 119.193 -0.495 18521 14457 1 15 . 1 1 151 151 GLN HA H 151 3.990 3.990 3.629 0.361 18521 14458 1 15 . 1 1 151 151 GLN C C 151 178.418 178.418 178.106 0.312 18521 14459 1 15 . 1 1 151 151 GLN CA C 151 58.570 58.570 59.715 -1.145 18521 14460 1 15 . 1 1 151 151 GLN CB C 151 38.409 38.409 37.545 0.864 18521 14461 1 15 . 1 1 151 151 GLN H H 151 8.282 8.282 7.993 0.289 18521 14462 1 15 . 1 1 152 152 GLU N N 152 120.750 120.750 119.797 0.953 18521 14463 1 15 . 1 1 152 152 GLU HA H 152 4.035 4.035 3.979 0.056 18521 14464 1 15 . 1 1 152 152 GLU C C 152 178.916 178.916 178.986 -0.070 18521 14465 1 15 . 1 1 152 152 GLU CA C 152 59.223 59.223 59.302 -0.079 18521 14466 1 15 . 1 1 152 152 GLU CB C 152 29.322 29.322 29.209 0.113 18521 14467 1 15 . 1 1 152 152 GLU H H 152 7.499 7.499 8.420 -0.921 18521 14468 1 15 . 1 1 153 153 VAL N N 153 120.317 120.317 120.885 -0.568 18521 14469 1 15 . 1 1 153 153 VAL HA H 153 3.695 3.695 3.814 -0.119 18521 14470 1 15 . 1 1 153 153 VAL C C 153 178.846 178.846 178.247 0.599 18521 14471 1 15 . 1 1 153 153 VAL CA C 153 65.832 65.832 66.536 -0.704 18521 14472 1 15 . 1 1 153 153 VAL CB C 153 31.921 31.921 31.670 0.251 18521 14473 1 15 . 1 1 153 153 VAL H H 153 7.763 7.763 8.637 -0.874 18521 14474 1 15 . 1 1 154 154 LEU N N 154 121.374 121.374 119.728 1.646 18521 14475 1 15 . 1 1 154 154 LEU HA H 154 3.917 3.917 3.969 -0.052 18521 14476 1 15 . 1 1 154 154 LEU C C 154 178.836 178.836 178.542 0.294 18521 14477 1 15 . 1 1 154 154 LEU CA C 154 57.439 57.439 57.909 -0.470 18521 14478 1 15 . 1 1 154 154 LEU CB C 154 41.797 41.797 40.912 0.885 18521 14479 1 15 . 1 1 154 154 LEU H H 154 7.731 7.731 8.068 -0.337 18521 14480 1 15 . 1 1 155 155 ALA N N 155 121.695 121.695 123.988 -2.293 18521 14481 1 15 . 1 1 155 155 ALA HA H 155 4.145 4.145 3.812 0.333 18521 14482 1 15 . 1 1 155 155 ALA C C 155 179.502 179.502 180.047 -0.545 18521 14483 1 15 . 1 1 155 155 ALA CA C 155 54.175 54.175 55.407 -1.232 18521 14484 1 15 . 1 1 155 155 ALA CB C 155 18.499 18.499 18.696 -0.197 18521 14485 1 15 . 1 1 155 155 ALA H H 155 7.896 7.896 7.631 0.265 18521 14486 1 15 . 1 1 156 156 MET N N 156 117.652 117.652 118.815 -1.163 18521 14487 1 15 . 1 1 156 156 MET HA H 156 4.228 4.228 3.909 0.319 18521 14488 1 15 . 1 1 156 156 MET C C 156 177.366 177.366 178.212 -0.846 18521 14489 1 15 . 1 1 156 156 MET CA C 156 57.306 57.306 59.319 -2.013 18521 14490 1 15 . 1 1 156 156 MET CB C 156 32.373 32.373 32.570 -0.197 18521 14491 1 15 . 1 1 156 156 MET H H 156 7.778 7.778 8.309 -0.531 18521 14492 1 15 . 1 1 157 157 ASN N N 157 117.853 117.853 117.332 0.521 18521 14493 1 15 . 1 1 157 157 ASN HA H 157 4.588 4.588 4.184 0.404 18521 14494 1 15 . 1 1 157 157 ASN C C 157 175.211 175.211 177.735 -2.524 18521 14495 1 15 . 1 1 157 157 ASN CA C 157 54.068 54.068 57.189 -3.121 18521 14496 1 15 . 1 1 157 157 ASN CB C 157 39.125 39.125 38.321 0.804 18521 14497 1 15 . 1 1 157 157 ASN H H 157 8.009 8.009 8.460 -0.451 18521 14498 1 15 . 1 1 158 158 ASN N N 158 117.684 117.684 117.285 0.399 18521 14499 1 15 . 1 1 158 158 ASN HA H 158 4.612 4.612 4.281 0.331 18521 14500 1 15 . 1 1 158 158 ASN C C 158 174.669 174.669 177.141 -2.472 18521 14501 1 15 . 1 1 158 158 ASN CA C 158 53.554 53.554 56.075 -2.521 18521 14502 1 15 . 1 1 158 158 ASN CB C 158 39.343 39.343 37.963 1.380 18521 14503 1 15 . 1 1 158 158 ASN H H 158 7.951 7.951 8.830 -0.879 18521 14504 1 15 . 1 1 159 159 ASN N N 159 119.399 119.399 116.972 2.427 18521 14505 1 15 . 1 1 159 159 ASN HA H 159 4.583 4.583 4.366 0.217 18521 14506 1 15 . 1 1 159 159 ASN C C 159 175.563 175.563 177.443 -1.880 18521 14507 1 15 . 1 1 159 159 ASN CA C 159 53.901 53.901 56.812 -2.911 18521 14508 1 15 . 1 1 159 159 ASN CB C 159 38.425 38.425 38.072 0.353 18521 14509 1 15 . 1 1 159 159 ASN H H 159 8.319 8.319 7.604 0.715 18521 14510 1 15 . 1 1 160 160 SER N N 160 115.453 115.453 117.323 -1.870 18521 14511 1 15 . 1 1 160 160 SER HA H 160 4.324 4.324 4.044 0.280 18521 14512 1 15 . 1 1 160 160 SER C C 160 174.952 174.952 176.895 -1.943 18521 14513 1 15 . 1 1 160 160 SER CA C 160 58.851 58.851 61.378 -2.527 18521 14514 1 15 . 1 1 160 160 SER CB C 160 63.704 63.704 62.931 0.772 18521 14515 1 15 . 1 1 160 160 SER H H 160 8.297 8.297 7.446 0.851 18521 14516 1 15 . 1 1 161 161 GLY N N 161 110.851 110.851 106.961 3.890 18521 14517 1 15 . 1 1 161 161 GLY HA H 161 4.146 4.146 4.056 0.090 18521 14518 1 15 . 1 1 161 161 GLY C C 161 173.974 173.974 177.753 -3.779 18521 14519 1 15 . 1 1 161 161 GLY CA C 161 45.348 45.348 48.244 -2.896 18521 14520 1 15 . 1 1 161 161 GLY CB C 161 42.245 42.245 41.867 0.378 18521 14521 1 15 . 1 1 161 161 GLY H H 161 8.328 8.328 8.305 0.023 18521 14522 1 15 . 1 1 162 162 GLU N N 162 120.859 120.859 118.794 2.065 18521 14523 1 15 . 1 1 162 162 GLU HA H 162 4.211 4.211 4.212 -0.001 18521 14524 1 15 . 1 1 162 162 GLU C C 162 177.522 177.522 177.682 -0.160 18521 14525 1 15 . 1 1 162 162 GLU CA C 162 56.065 56.065 58.915 -2.850 18521 14526 1 15 . 1 1 162 162 GLU CB C 162 29.852 29.852 29.156 0.696 18521 14527 1 15 . 1 1 162 162 GLU H H 162 8.244 8.244 7.983 0.261 18521 14528 1 15 . 1 1 163 163 LEU N N 163 124.226 124.226 118.021 6.205 18521 14529 1 15 . 1 1 163 163 LEU HA H 163 3.889 3.889 4.320 -0.431 18521 14530 1 15 . 1 1 163 163 LEU C C 163 178.043 178.043 176.854 1.189 18521 14531 1 15 . 1 1 163 163 LEU CA C 163 57.163 57.163 54.634 2.529 18521 14532 1 15 . 1 1 163 163 LEU CB C 163 41.840 41.840 42.062 -0.222 18521 14533 1 15 . 1 1 163 163 LEU H H 163 8.337 8.337 7.777 0.560 18521 14534 1 15 . 1 1 164 164 ASP N N 164 116.994 116.994 118.874 -1.880 18521 14535 1 15 . 1 1 164 164 ASP HA H 164 4.327 4.327 4.245 0.082 18521 14536 1 15 . 1 1 164 164 ASP C C 164 176.423 176.423 176.850 -0.427 18521 14537 1 15 . 1 1 164 164 ASP CA C 164 55.427 55.427 54.814 0.613 18521 14538 1 15 . 1 1 164 164 ASP H H 164 8.188 8.188 7.696 0.492 18521 14539 1 15 . 1 1 165 165 ASP N N 165 118.967 118.967 119.408 -0.441 18521 14540 1 15 . 1 1 165 165 ASP HA H 165 4.443 4.443 4.404 0.039 18521 14541 1 15 . 1 1 165 165 ASP C C 165 175.654 175.654 176.203 -0.549 18521 14542 1 15 . 1 1 165 165 ASP CA C 165 54.707 54.707 55.115 -0.408 18521 14543 1 15 . 1 1 165 165 ASP CB C 165 40.973 40.973 41.344 -0.371 18521 14544 1 15 . 1 1 165 165 ASP H H 165 7.701 7.701 7.993 -0.292 18521 14545 1 15 . 1 1 166 166 ILE N N 166 122.002 122.002 119.358 2.644 18521 14546 1 15 . 1 1 166 166 ILE HA H 166 4.049 4.049 4.012 0.037 18521 14547 1 15 . 1 1 166 166 ILE C C 166 175.180 175.180 175.056 0.124 18521 14548 1 15 . 1 1 166 166 ILE CA C 166 60.396 60.396 59.669 0.727 18521 14549 1 15 . 1 1 166 166 ILE CB C 166 39.185 39.185 37.818 1.367 18521 14550 1 15 . 1 1 166 166 ILE H H 166 7.388 7.388 7.186 0.202 18521 14551 1 16 . 1 1 2 2 ALA N N 2 122.445 122.445 123.710 -1.265 18521 14552 1 16 . 1 1 2 2 ALA HA H 2 4.045 4.045 4.013 0.032 18521 14553 1 16 . 1 1 2 2 ALA C C 2 179.992 179.992 178.980 1.012 18521 14554 1 16 . 1 1 2 2 ALA CA C 2 55.140 55.140 55.016 0.124 18521 14555 1 16 . 1 1 2 2 ALA CB C 2 18.482 18.482 18.276 0.206 18521 14556 1 16 . 1 1 2 2 ALA H H 2 8.545 8.545 8.752 -0.207 18521 14557 1 16 . 1 1 3 3 SER N N 3 115.544 115.544 114.110 1.434 18521 14558 1 16 . 1 1 3 3 SER HA H 3 4.030 4.030 4.153 -0.123 18521 14559 1 16 . 1 1 3 3 SER C C 3 176.584 176.584 176.602 -0.018 18521 14560 1 16 . 1 1 3 3 SER CA C 3 60.748 60.748 61.615 -0.867 18521 14561 1 16 . 1 1 3 3 SER CB C 3 62.416 62.416 62.204 0.212 18521 14562 1 16 . 1 1 3 3 SER H H 3 8.009 8.009 8.473 -0.464 18521 14563 1 16 . 1 1 4 4 ASN N N 4 123.103 123.103 119.596 3.507 18521 14564 1 16 . 1 1 4 4 ASN HA H 4 4.318 4.318 4.489 -0.171 18521 14565 1 16 . 1 1 4 4 ASN C C 4 176.215 176.215 177.027 -0.812 18521 14566 1 16 . 1 1 4 4 ASN CA C 4 55.580 55.580 55.777 -0.197 18521 14567 1 16 . 1 1 4 4 ASN CB C 4 38.154 38.154 37.887 0.267 18521 14568 1 16 . 1 1 4 4 ASN H H 4 7.965 7.965 7.652 0.313 18521 14569 1 16 . 1 1 5 5 ALA N N 5 122.314 122.314 122.343 -0.029 18521 14570 1 16 . 1 1 5 5 ALA HA H 5 3.560 3.560 3.797 -0.237 18521 14571 1 16 . 1 1 5 5 ALA C C 5 178.543 178.543 178.791 -0.248 18521 14572 1 16 . 1 1 5 5 ALA CA C 5 55.774 55.774 55.242 0.532 18521 14573 1 16 . 1 1 5 5 ALA CB C 5 17.638 17.638 18.148 -0.510 18521 14574 1 16 . 1 1 5 5 ALA H H 5 8.721 8.721 7.486 1.235 18521 14575 1 16 . 1 1 6 6 ALA N N 6 117.886 117.886 121.565 -3.679 18521 14576 1 16 . 1 1 6 6 ALA HA H 6 3.784 3.784 3.994 -0.210 18521 14577 1 16 . 1 1 6 6 ALA C C 6 180.378 180.378 179.517 0.861 18521 14578 1 16 . 1 1 6 6 ALA CA C 6 55.240 55.240 54.996 0.244 18521 14579 1 16 . 1 1 6 6 ALA CB C 6 17.890 17.890 17.953 -0.062 18521 14580 1 16 . 1 1 6 6 ALA H H 6 7.891 7.891 7.389 0.502 18521 14581 1 16 . 1 1 7 7 ARG N N 7 120.992 120.992 119.294 1.698 18521 14582 1 16 . 1 1 7 7 ARG HA H 7 3.770 3.770 4.030 -0.260 18521 14583 1 16 . 1 1 7 7 ARG C C 7 179.531 179.531 178.557 0.974 18521 14584 1 16 . 1 1 7 7 ARG CA C 7 59.249 59.249 59.353 -0.104 18521 14585 1 16 . 1 1 7 7 ARG CB C 7 29.546 29.546 30.328 -0.782 18521 14586 1 16 . 1 1 7 7 ARG H H 7 7.503 7.503 7.607 -0.104 18521 14587 1 16 . 1 1 8 8 VAL N N 8 123.707 123.707 119.610 4.097 18521 14588 1 16 . 1 1 8 8 VAL HA H 8 3.285 3.285 3.815 -0.530 18521 14589 1 16 . 1 1 8 8 VAL C C 8 177.740 177.740 178.089 -0.349 18521 14590 1 16 . 1 1 8 8 VAL CA C 8 67.839 67.839 66.565 1.274 18521 14591 1 16 . 1 1 8 8 VAL CB C 8 31.516 31.516 31.167 0.349 18521 14592 1 16 . 1 1 8 8 VAL H H 8 8.176 8.176 7.835 0.341 18521 14593 1 16 . 1 1 9 9 VAL N N 9 119.893 119.893 120.542 -0.649 18521 14594 1 16 . 1 1 9 9 VAL HA H 9 3.286 3.286 3.600 -0.314 18521 14595 1 16 . 1 1 9 9 VAL C C 9 177.535 177.535 177.899 -0.364 18521 14596 1 16 . 1 1 9 9 VAL CA C 9 67.549 67.549 66.001 1.548 18521 14597 1 16 . 1 1 9 9 VAL CB C 9 31.683 31.683 30.485 1.198 18521 14598 1 16 . 1 1 9 9 VAL H H 9 8.329 8.329 7.879 0.450 18521 14599 1 16 . 1 1 10 10 ALA N N 10 122.541 122.541 121.532 1.009 18521 14600 1 16 . 1 1 10 10 ALA HA H 10 3.971 3.971 4.081 -0.110 18521 14601 1 16 . 1 1 10 10 ALA C C 10 177.093 177.093 179.956 -2.863 18521 14602 1 16 . 1 1 10 10 ALA CA C 10 55.448 55.448 55.484 -0.036 18521 14603 1 16 . 1 1 10 10 ALA CB C 10 17.791 17.791 18.361 -0.570 18521 14604 1 16 . 1 1 10 10 ALA H H 10 7.802 7.802 8.251 -0.449 18521 14605 1 16 . 1 1 11 11 THR N N 11 116.946 116.946 115.618 1.328 18521 14606 1 16 . 1 1 11 11 THR HA H 11 3.821 3.821 3.977 -0.156 18521 14607 1 16 . 1 1 11 11 THR C C 11 175.702 175.702 176.536 -0.834 18521 14608 1 16 . 1 1 11 11 THR CA C 11 66.531 66.531 67.547 -1.016 18521 14609 1 16 . 1 1 11 11 THR CB C 11 68.493 68.493 68.921 -0.428 18521 14610 1 16 . 1 1 11 11 THR H H 11 8.187 8.187 8.393 -0.206 18521 14611 1 16 . 1 1 12 12 ALA N N 12 125.357 125.357 124.111 1.246 18521 14612 1 16 . 1 1 12 12 ALA HA H 12 4.003 4.003 4.129 -0.126 18521 14613 1 16 . 1 1 12 12 ALA C C 12 179.401 179.401 179.404 -0.003 18521 14614 1 16 . 1 1 12 12 ALA CA C 12 56.083 56.083 55.346 0.737 18521 14615 1 16 . 1 1 12 12 ALA CB C 12 18.855 18.855 18.267 0.588 18521 14616 1 16 . 1 1 12 12 ALA H H 12 8.641 8.641 8.355 0.286 18521 14617 1 16 . 1 1 13 13 LYS N N 13 117.246 117.246 117.217 0.029 18521 14618 1 16 . 1 1 13 13 LYS HA H 13 3.964 3.964 4.237 -0.273 18521 14619 1 16 . 1 1 13 13 LYS C C 13 180.132 180.132 178.318 1.814 18521 14620 1 16 . 1 1 13 13 LYS CA C 13 58.991 58.991 59.242 -0.251 18521 14621 1 16 . 1 1 13 13 LYS CB C 13 32.014 32.014 32.060 -0.047 18521 14622 1 16 . 1 1 13 13 LYS H H 13 7.961 7.961 7.708 0.253 18521 14623 1 16 . 1 1 14 14 ASP N N 14 122.162 122.162 119.646 2.516 18521 14624 1 16 . 1 1 14 14 ASP HA H 14 4.355 4.355 4.394 -0.039 18521 14625 1 16 . 1 1 14 14 ASP C C 14 179.394 179.394 178.325 1.069 18521 14626 1 16 . 1 1 14 14 ASP CA C 14 57.524 57.524 56.882 0.642 18521 14627 1 16 . 1 1 14 14 ASP CB C 14 39.984 39.984 40.339 -0.355 18521 14628 1 16 . 1 1 14 14 ASP H H 14 7.702 7.702 7.586 0.116 18521 14629 1 16 . 1 1 15 15 PHE N N 15 119.552 119.552 117.958 1.594 18521 14630 1 16 . 1 1 15 15 PHE HA H 15 4.307 4.307 4.217 0.090 18521 14631 1 16 . 1 1 15 15 PHE C C 15 178.383 178.383 177.861 0.522 18521 14632 1 16 . 1 1 15 15 PHE CA C 15 62.313 62.313 61.499 0.814 18521 14633 1 16 . 1 1 15 15 PHE CB C 15 37.340 37.340 38.849 -1.509 18521 14634 1 16 . 1 1 15 15 PHE H H 15 7.970 7.970 7.517 0.453 18521 14635 1 16 . 1 1 16 16 ASP N N 16 121.464 121.464 119.584 1.880 18521 14636 1 16 . 1 1 16 16 ASP HA H 16 4.016 4.016 4.451 -0.435 18521 14637 1 16 . 1 1 16 16 ASP C C 16 179.923 179.923 179.210 0.713 18521 14638 1 16 . 1 1 16 16 ASP CA C 16 58.030 58.030 57.283 0.746 18521 14639 1 16 . 1 1 16 16 ASP CB C 16 41.407 41.407 40.163 1.244 18521 14640 1 16 . 1 1 16 16 ASP H H 16 8.259 8.259 7.827 0.432 18521 14641 1 16 . 1 1 17 17 LYS N N 17 118.806 118.806 120.184 -1.378 18521 14642 1 16 . 1 1 17 17 LYS HA H 17 4.047 4.047 4.121 -0.074 18521 14643 1 16 . 1 1 17 17 LYS C C 17 178.432 178.432 177.817 0.615 18521 14644 1 16 . 1 1 17 17 LYS CA C 17 59.018 59.018 58.999 0.019 18521 14645 1 16 . 1 1 17 17 LYS CB C 17 32.592 32.592 32.661 -0.069 18521 14646 1 16 . 1 1 17 17 LYS H H 17 7.842 7.842 7.614 0.228 18521 14647 1 16 . 1 1 18 18 VAL N N 18 110.416 110.416 117.474 -7.058 18521 14648 1 16 . 1 1 18 18 VAL HA H 18 4.523 4.523 4.093 0.430 18521 14649 1 16 . 1 1 18 18 VAL C C 18 176.089 176.089 175.955 0.134 18521 14650 1 16 . 1 1 18 18 VAL CA C 18 60.797 60.797 62.680 -1.883 18521 14651 1 16 . 1 1 18 18 VAL CB C 18 31.194 31.194 32.190 -0.996 18521 14652 1 16 . 1 1 18 18 VAL H H 18 7.198 7.198 7.419 -0.221 18521 14653 1 16 . 1 1 19 19 GLY N N 19 109.008 109.008 108.019 0.989 18521 14654 1 16 . 1 1 19 19 GLY C C 19 175.070 175.070 174.497 0.573 18521 14655 1 16 . 1 1 19 19 GLY CA C 19 45.842 45.842 45.261 0.581 18521 14656 1 16 . 1 1 19 19 GLY H H 19 7.731 7.731 7.623 0.108 18521 14657 1 16 . 1 1 20 20 LEU N N 20 125.244 125.244 123.077 2.167 18521 14658 1 16 . 1 1 20 20 LEU HA H 20 4.938 4.938 4.602 0.336 18521 14659 1 16 . 1 1 20 20 LEU C C 20 177.890 177.890 176.964 0.926 18521 14660 1 16 . 1 1 20 20 LEU CA C 20 52.674 52.674 53.276 -0.602 18521 14661 1 16 . 1 1 20 20 LEU CB C 20 40.239 40.239 40.206 0.033 18521 14662 1 16 . 1 1 20 20 LEU H H 20 8.102 8.102 8.200 -0.098 18521 14663 1 16 . 1 1 21 21 GLY N N 21 108.031 108.031 109.958 -1.927 18521 14664 1 16 . 1 1 21 21 GLY C C 21 176.174 176.174 175.926 0.248 18521 14665 1 16 . 1 1 21 21 GLY CA C 21 47.352 47.352 47.436 -0.084 18521 14666 1 16 . 1 1 21 21 GLY H H 21 8.046 8.046 8.052 -0.006 18521 14667 1 16 . 1 1 22 22 ILE N N 22 121.173 121.173 121.938 -0.765 18521 14668 1 16 . 1 1 22 22 ILE HA H 22 3.944 3.944 3.764 0.180 18521 14669 1 16 . 1 1 22 22 ILE C C 22 176.119 176.119 177.698 -1.579 18521 14670 1 16 . 1 1 22 22 ILE CA C 22 61.179 61.179 64.759 -3.580 18521 14671 1 16 . 1 1 22 22 ILE CB C 22 35.934 35.934 37.822 -1.888 18521 14672 1 16 . 1 1 22 22 ILE H H 22 8.395 8.395 8.123 0.272 18521 14673 1 16 . 1 1 23 23 ILE N N 23 120.647 120.647 120.180 0.467 18521 14674 1 16 . 1 1 23 23 ILE HA H 23 3.713 3.713 3.789 -0.076 18521 14675 1 16 . 1 1 23 23 ILE C C 23 178.458 178.458 178.663 -0.205 18521 14676 1 16 . 1 1 23 23 ILE CA C 23 64.266 64.266 62.458 1.808 18521 14677 1 16 . 1 1 23 23 ILE CB C 23 36.272 36.272 36.160 0.112 18521 14678 1 16 . 1 1 23 23 ILE H H 23 6.824 6.824 7.315 -0.491 18521 14679 1 16 . 1 1 24 24 GLY N N 24 103.326 103.326 107.775 -4.449 18521 14680 1 16 . 1 1 24 24 GLY C C 24 174.914 174.914 175.636 -0.722 18521 14681 1 16 . 1 1 24 24 GLY CA C 24 47.998 47.998 47.049 0.949 18521 14682 1 16 . 1 1 24 24 GLY H H 24 7.412 7.412 7.933 -0.521 18521 14683 1 16 . 1 1 25 25 TYR N N 25 124.188 124.188 124.106 0.082 18521 14684 1 16 . 1 1 25 25 TYR HA H 25 3.734 3.734 3.764 -0.030 18521 14685 1 16 . 1 1 25 25 TYR C C 25 176.055 176.055 177.212 -1.157 18521 14686 1 16 . 1 1 25 25 TYR CA C 25 60.962 60.962 60.758 0.204 18521 14687 1 16 . 1 1 25 25 TYR CB C 25 37.888 37.888 37.749 0.139 18521 14688 1 16 . 1 1 25 25 TYR H H 25 7.861 7.861 8.283 -0.422 18521 14689 1 16 . 1 1 26 26 TYR N N 26 117.390 117.390 117.317 0.073 18521 14690 1 16 . 1 1 26 26 TYR HA H 26 3.881 3.881 3.942 -0.061 18521 14691 1 16 . 1 1 26 26 TYR C C 26 178.653 178.653 177.933 0.720 18521 14692 1 16 . 1 1 26 26 TYR CA C 26 64.270 64.270 62.458 1.812 18521 14693 1 16 . 1 1 26 26 TYR CB C 26 37.453 37.453 38.202 -0.749 18521 14694 1 16 . 1 1 26 26 TYR H H 26 7.594 7.594 7.600 -0.006 18521 14695 1 16 . 1 1 27 27 LEU N N 27 118.536 118.536 119.467 -0.931 18521 14696 1 16 . 1 1 27 27 LEU HA H 27 4.277 4.277 3.778 0.499 18521 14697 1 16 . 1 1 27 27 LEU C C 27 179.025 179.025 178.919 0.106 18521 14698 1 16 . 1 1 27 27 LEU CA C 27 58.382 58.382 58.201 0.181 18521 14699 1 16 . 1 1 27 27 LEU CB C 27 42.595 42.595 41.020 1.575 18521 14700 1 16 . 1 1 27 27 LEU H H 27 8.226 8.226 7.798 0.428 18521 14701 1 16 . 1 1 28 28 GLN N N 28 119.110 119.110 117.958 1.152 18521 14702 1 16 . 1 1 28 28 GLN HA H 28 3.665 3.665 3.801 -0.136 18521 14703 1 16 . 1 1 28 28 GLN C C 28 177.406 177.406 178.302 -0.896 18521 14704 1 16 . 1 1 28 28 GLN CA C 28 60.626 60.626 59.013 1.613 18521 14705 1 16 . 1 1 28 28 GLN CB C 28 28.959 28.959 28.510 0.449 18521 14706 1 16 . 1 1 28 28 GLN H H 28 8.007 8.007 8.226 -0.219 18521 14707 1 16 . 1 1 29 29 LEU N N 29 121.623 121.623 120.970 0.653 18521 14708 1 16 . 1 1 29 29 LEU HA H 29 3.718 3.718 3.846 -0.128 18521 14709 1 16 . 1 1 29 29 LEU C C 29 179.706 179.706 178.105 1.601 18521 14710 1 16 . 1 1 29 29 LEU CA C 29 58.382 58.382 57.593 0.789 18521 14711 1 16 . 1 1 29 29 LEU CB C 29 42.114 42.114 41.424 0.690 18521 14712 1 16 . 1 1 29 29 LEU H H 29 7.938 7.938 7.254 0.684 18521 14713 1 16 . 1 1 30 30 TYR N N 30 120.084 120.084 120.350 -0.266 18521 14714 1 16 . 1 1 30 30 TYR HA H 30 4.132 4.132 3.861 0.271 18521 14715 1 16 . 1 1 30 30 TYR C C 30 175.611 175.611 176.983 -1.372 18521 14716 1 16 . 1 1 30 30 TYR CA C 30 58.951 58.951 59.972 -1.021 18521 14717 1 16 . 1 1 30 30 TYR CB C 30 39.302 39.302 37.819 1.483 18521 14718 1 16 . 1 1 30 30 TYR H H 30 7.974 7.974 8.041 -0.067 18521 14719 1 16 . 1 1 31 31 ALA N N 31 121.802 121.802 121.275 0.527 18521 14720 1 16 . 1 1 31 31 ALA HA H 31 3.343 3.343 3.566 -0.223 18521 14721 1 16 . 1 1 31 31 ALA C C 31 178.911 178.911 179.292 -0.381 18521 14722 1 16 . 1 1 31 31 ALA CA C 31 55.429 55.429 54.878 0.551 18521 14723 1 16 . 1 1 31 31 ALA CB C 31 17.895 17.895 17.894 0.001 18521 14724 1 16 . 1 1 31 31 ALA H H 31 8.504 8.504 8.186 0.318 18521 14725 1 16 . 1 1 32 32 VAL N N 32 116.528 116.528 118.832 -2.304 18521 14726 1 16 . 1 1 32 32 VAL HA H 32 3.249 3.249 3.408 -0.159 18521 14727 1 16 . 1 1 32 32 VAL C C 32 176.963 176.963 177.909 -0.946 18521 14728 1 16 . 1 1 32 32 VAL CA C 32 67.723 67.723 67.270 0.453 18521 14729 1 16 . 1 1 32 32 VAL CB C 32 31.403 31.403 31.430 -0.027 18521 14730 1 16 . 1 1 32 32 VAL H H 32 8.027 8.027 8.006 0.021 18521 14731 1 16 . 1 1 33 33 GLU N N 33 118.609 118.609 119.574 -0.965 18521 14732 1 16 . 1 1 33 33 GLU HA H 33 3.804 3.804 3.952 -0.148 18521 14733 1 16 . 1 1 33 33 GLU C C 33 180.234 180.234 179.314 0.920 18521 14734 1 16 . 1 1 33 33 GLU CA C 33 59.446 59.446 59.403 0.043 18521 14735 1 16 . 1 1 33 33 GLU CB C 33 28.711 28.711 29.417 -0.706 18521 14736 1 16 . 1 1 33 33 GLU H H 33 7.299 7.299 7.517 -0.218 18521 14737 1 16 . 1 1 34 34 LEU N N 34 120.831 120.831 120.599 0.232 18521 14738 1 16 . 1 1 34 34 LEU HA H 34 3.702 3.702 3.957 -0.255 18521 14739 1 16 . 1 1 34 34 LEU C C 34 180.024 180.024 179.157 0.867 18521 14740 1 16 . 1 1 34 34 LEU CA C 34 57.815 57.815 58.242 -0.427 18521 14741 1 16 . 1 1 34 34 LEU CB C 34 42.097 42.097 41.586 0.511 18521 14742 1 16 . 1 1 34 34 LEU H H 34 8.168 8.168 7.147 1.021 18521 14743 1 16 . 1 1 35 35 ILE N N 35 120.733 120.733 118.512 2.221 18521 14744 1 16 . 1 1 35 35 ILE HA H 35 3.589 3.589 3.595 -0.006 18521 14745 1 16 . 1 1 35 35 ILE C C 35 178.501 178.501 178.868 -0.367 18521 14746 1 16 . 1 1 35 35 ILE CA C 35 65.363 65.363 65.224 0.139 18521 14747 1 16 . 1 1 35 35 ILE CB C 35 38.960 38.960 37.881 1.079 18521 14748 1 16 . 1 1 35 35 ILE H H 35 8.064 8.064 7.417 0.647 18521 14749 1 16 . 1 1 36 36 LEU N N 36 115.519 115.519 118.992 -3.473 18521 14750 1 16 . 1 1 36 36 LEU HA H 36 3.958 3.958 4.007 -0.049 18521 14751 1 16 . 1 1 36 36 LEU C C 36 178.244 178.244 178.216 0.028 18521 14752 1 16 . 1 1 36 36 LEU CA C 36 56.069 56.069 57.357 -1.288 18521 14753 1 16 . 1 1 36 36 LEU CB C 36 40.528 40.528 41.737 -1.209 18521 14754 1 16 . 1 1 36 36 LEU H H 36 8.370 8.370 7.795 0.575 18521 14755 1 16 . 1 1 37 37 SER N N 37 113.976 113.976 110.804 3.172 18521 14756 1 16 . 1 1 37 37 SER HA H 37 4.197 4.197 4.251 -0.054 18521 14757 1 16 . 1 1 37 37 SER C C 37 173.934 173.934 174.871 -0.937 18521 14758 1 16 . 1 1 37 37 SER CA C 37 60.204 60.204 59.627 0.577 18521 14759 1 16 . 1 1 37 37 SER CB C 37 63.507 63.507 63.538 -0.031 18521 14760 1 16 . 1 1 37 37 SER H H 37 7.523 7.523 7.925 -0.402 18521 14761 1 16 . 1 1 38 38 GLU N N 38 123.219 123.219 121.437 1.782 18521 14762 1 16 . 1 1 38 38 GLU HA H 38 4.426 4.426 4.349 0.077 18521 14763 1 16 . 1 1 38 38 GLU C C 38 175.767 175.767 176.079 -0.312 18521 14764 1 16 . 1 1 38 38 GLU CA C 38 55.046 55.046 55.609 -0.563 18521 14765 1 16 . 1 1 38 38 GLU CB C 38 30.395 30.395 30.542 -0.147 18521 14766 1 16 . 1 1 38 38 GLU H H 38 7.185 7.185 7.490 -0.305 18521 14767 1 16 . 1 1 39 39 GLU N N 39 126.955 126.955 126.022 0.933 18521 14768 1 16 . 1 1 39 39 GLU HA H 39 3.985 3.985 4.101 -0.116 18521 14769 1 16 . 1 1 39 39 GLU C C 39 176.861 176.861 175.990 0.871 18521 14770 1 16 . 1 1 39 39 GLU CA C 39 58.331 58.331 58.162 0.169 18521 14771 1 16 . 1 1 39 39 GLU CB C 39 30.008 30.008 30.116 -0.108 18521 14772 1 16 . 1 1 39 39 GLU H H 39 8.632 8.632 8.661 -0.029 18521 14773 1 16 . 1 1 40 40 ASP N N 40 119.763 119.763 119.767 -0.004 18521 14774 1 16 . 1 1 40 40 ASP HA H 40 4.616 4.616 4.704 -0.088 18521 14775 1 16 . 1 1 40 40 ASP C C 40 174.989 174.989 175.413 -0.424 18521 14776 1 16 . 1 1 40 40 ASP CA C 40 53.281 53.281 54.233 -0.952 18521 14777 1 16 . 1 1 40 40 ASP CB C 40 39.814 39.814 40.797 -0.983 18521 14778 1 16 . 1 1 40 40 ASP H H 40 8.560 8.560 8.140 0.420 18521 14779 1 16 . 1 1 41 41 ARG N N 41 119.595 119.595 123.196 -3.601 18521 14780 1 16 . 1 1 41 41 ARG HA H 41 4.390 4.390 4.590 -0.200 18521 14781 1 16 . 1 1 41 41 ARG C C 41 175.553 175.553 175.231 0.322 18521 14782 1 16 . 1 1 41 41 ARG CA C 41 54.707 54.707 55.250 -0.543 18521 14783 1 16 . 1 1 41 41 ARG CB C 41 31.865 31.865 33.491 -1.626 18521 14784 1 16 . 1 1 41 41 ARG H H 41 7.443 7.443 8.413 -0.970 18521 14785 1 16 . 1 1 42 42 SER N N 42 119.463 119.463 118.909 0.554 18521 14786 1 16 . 1 1 42 42 SER HA H 42 4.381 4.381 4.529 -0.148 18521 14787 1 16 . 1 1 42 42 SER C C 42 175.361 175.361 175.365 -0.004 18521 14788 1 16 . 1 1 42 42 SER CA C 42 57.137 57.137 57.056 0.081 18521 14789 1 16 . 1 1 42 42 SER CB C 42 65.166 65.166 65.374 -0.208 18521 14790 1 16 . 1 1 42 42 SER H H 42 8.556 8.556 8.442 0.114 18521 14791 1 16 . 1 1 43 43 GLN N N 43 122.535 122.535 122.617 -0.082 18521 14792 1 16 . 1 1 43 43 GLN HA H 43 4.018 4.018 3.932 0.086 18521 14793 1 16 . 1 1 43 43 GLN C C 43 178.768 178.768 177.934 0.834 18521 14794 1 16 . 1 1 43 43 GLN CA C 43 59.073 59.073 60.065 -0.992 18521 14795 1 16 . 1 1 43 43 GLN CB C 43 27.871 27.871 28.579 -0.708 18521 14796 1 16 . 1 1 43 43 GLN H H 43 9.087 9.087 9.020 0.067 18521 14797 1 16 . 1 1 44 44 GLU N N 44 120.308 120.308 118.829 1.479 18521 14798 1 16 . 1 1 44 44 GLU HA H 44 3.982 3.982 4.038 -0.056 18521 14799 1 16 . 1 1 44 44 GLU C C 44 179.737 179.737 178.809 0.928 18521 14800 1 16 . 1 1 44 44 GLU CA C 44 60.142 60.142 59.041 1.101 18521 14801 1 16 . 1 1 44 44 GLU CB C 44 28.801 28.801 29.188 -0.387 18521 14802 1 16 . 1 1 44 44 GLU H H 44 8.958 8.958 8.701 0.257 18521 14803 1 16 . 1 1 45 45 MET N N 45 120.968 120.968 120.271 0.697 18521 14804 1 16 . 1 1 45 45 MET HA H 45 4.432 4.432 4.146 0.286 18521 14805 1 16 . 1 1 45 45 MET C C 45 178.153 178.153 178.144 0.009 18521 14806 1 16 . 1 1 45 45 MET CA C 45 57.117 57.117 59.111 -1.994 18521 14807 1 16 . 1 1 45 45 MET CB C 45 32.517 32.517 33.019 -0.502 18521 14808 1 16 . 1 1 45 45 MET H H 45 7.740 7.740 8.036 -0.296 18521 14809 1 16 . 1 1 46 46 THR N N 46 120.159 120.159 116.358 3.801 18521 14810 1 16 . 1 1 46 46 THR HA H 46 3.620 3.620 3.847 -0.227 18521 14811 1 16 . 1 1 46 46 THR C C 46 176.389 176.389 176.328 0.061 18521 14812 1 16 . 1 1 46 46 THR CA C 46 67.416 67.416 66.937 0.479 18521 14813 1 16 . 1 1 46 46 THR CB C 46 68.208 68.208 68.686 -0.478 18521 14814 1 16 . 1 1 46 46 THR H H 46 8.190 8.190 8.624 -0.434 18521 14815 1 16 . 1 1 47 47 ALA N N 47 124.729 124.729 123.944 0.785 18521 14816 1 16 . 1 1 47 47 ALA HA H 47 4.060 4.060 4.164 -0.104 18521 14817 1 16 . 1 1 47 47 ALA C C 47 179.554 179.554 179.262 0.292 18521 14818 1 16 . 1 1 47 47 ALA CA C 47 55.195 55.195 54.884 0.311 18521 14819 1 16 . 1 1 47 47 ALA CB C 47 17.654 17.654 18.226 -0.572 18521 14820 1 16 . 1 1 47 47 ALA H H 47 8.292 8.292 7.995 0.297 18521 14821 1 16 . 1 1 48 48 LEU N N 48 122.244 122.244 120.980 1.264 18521 14822 1 16 . 1 1 48 48 LEU HA H 48 4.195 4.195 4.064 0.131 18521 14823 1 16 . 1 1 48 48 LEU C C 48 178.022 178.022 178.564 -0.542 18521 14824 1 16 . 1 1 48 48 LEU CA C 48 57.695 57.695 57.532 0.163 18521 14825 1 16 . 1 1 48 48 LEU CB C 48 41.236 41.236 41.648 -0.412 18521 14826 1 16 . 1 1 48 48 LEU H H 48 7.723 7.723 7.712 0.011 18521 14827 1 16 . 1 1 49 49 ALA N N 49 120.883 120.883 120.501 0.382 18521 14828 1 16 . 1 1 49 49 ALA HA H 49 3.854 3.854 3.909 -0.055 18521 14829 1 16 . 1 1 49 49 ALA C C 49 178.770 178.770 179.456 -0.686 18521 14830 1 16 . 1 1 49 49 ALA CA C 49 55.836 55.836 55.125 0.711 18521 14831 1 16 . 1 1 49 49 ALA CB C 49 17.137 17.137 18.339 -1.202 18521 14832 1 16 . 1 1 49 49 ALA H H 49 8.210 8.210 7.955 0.255 18521 14833 1 16 . 1 1 50 50 THR N N 50 113.676 113.676 115.279 -1.603 18521 14834 1 16 . 1 1 50 50 THR HA H 50 3.765 3.765 3.850 -0.085 18521 14835 1 16 . 1 1 50 50 THR C C 50 175.836 175.836 176.283 -0.447 18521 14836 1 16 . 1 1 50 50 THR CA C 50 66.975 66.975 67.755 -0.780 18521 14837 1 16 . 1 1 50 50 THR CB C 50 68.976 68.976 68.706 0.270 18521 14838 1 16 . 1 1 50 50 THR H H 50 7.891 7.891 7.748 0.143 18521 14839 1 16 . 1 1 51 51 GLU N N 51 123.445 123.445 122.292 1.153 18521 14840 1 16 . 1 1 51 51 GLU HA H 51 4.221 4.221 4.019 0.202 18521 14841 1 16 . 1 1 51 51 GLU C C 51 179.906 179.906 178.792 1.114 18521 14842 1 16 . 1 1 51 51 GLU CA C 51 59.436 59.436 59.296 0.140 18521 14843 1 16 . 1 1 51 51 GLU CB C 51 29.498 29.498 29.656 -0.158 18521 14844 1 16 . 1 1 51 51 GLU H H 51 7.877 7.877 7.990 -0.113 18521 14845 1 16 . 1 1 52 52 LEU N N 52 121.629 121.629 118.673 2.956 18521 14846 1 16 . 1 1 52 52 LEU HA H 52 3.907 3.907 4.065 -0.158 18521 14847 1 16 . 1 1 52 52 LEU C C 52 178.993 178.993 178.999 -0.006 18521 14848 1 16 . 1 1 52 52 LEU CA C 52 57.840 57.840 57.610 0.230 18521 14849 1 16 . 1 1 52 52 LEU CB C 52 42.076 42.076 41.736 0.340 18521 14850 1 16 . 1 1 52 52 LEU H H 52 8.670 8.670 7.400 1.270 18521 14851 1 16 . 1 1 53 53 LEU N N 53 119.996 119.996 119.531 0.465 18521 14852 1 16 . 1 1 53 53 LEU HA H 53 3.949 3.949 3.820 0.129 18521 14853 1 16 . 1 1 53 53 LEU C C 53 179.950 179.950 179.071 0.879 18521 14854 1 16 . 1 1 53 53 LEU CA C 53 58.480 58.480 57.922 0.558 18521 14855 1 16 . 1 1 53 53 LEU CB C 53 41.341 41.341 41.017 0.323 18521 14856 1 16 . 1 1 53 53 LEU H H 53 8.336 8.336 7.237 1.099 18521 14857 1 16 . 1 1 54 54 ASP N N 54 120.632 120.632 119.130 1.502 18521 14858 1 16 . 1 1 54 54 ASP HA H 54 4.409 4.409 4.442 -0.033 18521 14859 1 16 . 1 1 54 54 ASP C C 54 179.383 179.383 179.079 0.304 18521 14860 1 16 . 1 1 54 54 ASP CA C 54 57.510 57.510 57.379 0.131 18521 14861 1 16 . 1 1 54 54 ASP CB C 54 40.275 40.275 40.084 0.191 18521 14862 1 16 . 1 1 54 54 ASP H H 54 7.884 7.884 7.747 0.137 18521 14863 1 16 . 1 1 55 55 THR N N 55 121.006 121.006 117.699 3.307 18521 14864 1 16 . 1 1 55 55 THR HA H 55 3.923 3.923 4.044 -0.121 18521 14865 1 16 . 1 1 55 55 THR C C 55 177.066 177.066 176.884 0.182 18521 14866 1 16 . 1 1 55 55 THR CA C 55 67.018 67.018 67.316 -0.298 18521 14867 1 16 . 1 1 55 55 THR CB C 55 68.725 68.725 68.897 -0.172 18521 14868 1 16 . 1 1 55 55 THR H H 55 8.279 8.279 7.452 0.827 18521 14869 1 16 . 1 1 56 56 ILE N N 56 125.465 125.465 122.844 2.621 18521 14870 1 16 . 1 1 56 56 ILE HA H 56 3.748 3.748 3.843 -0.095 18521 14871 1 16 . 1 1 56 56 ILE C C 56 177.879 177.879 178.144 -0.265 18521 14872 1 16 . 1 1 56 56 ILE CA C 56 65.765 65.765 66.530 -0.765 18521 14873 1 16 . 1 1 56 56 ILE CB C 56 38.646 38.646 37.875 0.771 18521 14874 1 16 . 1 1 56 56 ILE H H 56 8.872 8.872 8.526 0.346 18521 14875 1 16 . 1 1 57 57 GLU N N 57 119.951 119.951 119.696 0.255 18521 14876 1 16 . 1 1 57 57 GLU HA H 57 4.034 4.034 3.984 0.050 18521 14877 1 16 . 1 1 57 57 GLU C C 57 179.357 179.357 179.113 0.244 18521 14878 1 16 . 1 1 57 57 GLU CA C 57 59.241 59.241 59.822 -0.581 18521 14879 1 16 . 1 1 57 57 GLU CB C 57 29.226 29.226 29.422 -0.196 18521 14880 1 16 . 1 1 57 57 GLU H H 57 8.024 8.024 8.421 -0.397 18521 14881 1 16 . 1 1 58 58 ALA N N 58 122.402 122.402 122.725 -0.323 18521 14882 1 16 . 1 1 58 58 ALA HA H 58 4.044 4.044 4.175 -0.131 18521 14883 1 16 . 1 1 58 58 ALA C C 58 180.049 180.049 179.574 0.475 18521 14884 1 16 . 1 1 58 58 ALA CA C 58 55.167 55.167 54.992 0.175 18521 14885 1 16 . 1 1 58 58 ALA CB C 58 17.836 17.836 18.409 -0.573 18521 14886 1 16 . 1 1 58 58 ALA H H 58 8.026 8.026 8.241 -0.215 18521 14887 1 16 . 1 1 59 59 PHE N N 59 122.034 122.034 120.685 1.349 18521 14888 1 16 . 1 1 59 59 PHE HA H 59 4.165 4.165 4.186 -0.021 18521 14889 1 16 . 1 1 59 59 PHE C C 59 177.169 177.169 177.324 -0.155 18521 14890 1 16 . 1 1 59 59 PHE CA C 59 61.373 61.373 61.492 -0.119 18521 14891 1 16 . 1 1 59 59 PHE CB C 59 39.384 39.384 39.617 -0.233 18521 14892 1 16 . 1 1 59 59 PHE H H 59 8.243 8.243 8.931 -0.688 18521 14893 1 16 . 1 1 60 60 LYS N N 60 117.415 117.415 119.434 -2.019 18521 14894 1 16 . 1 1 60 60 LYS HA H 60 3.490 3.490 3.706 -0.216 18521 14895 1 16 . 1 1 60 60 LYS C C 60 179.705 179.705 178.428 1.277 18521 14896 1 16 . 1 1 60 60 LYS CA C 60 60.051 60.051 59.380 0.671 18521 14897 1 16 . 1 1 60 60 LYS CB C 60 32.376 32.376 32.508 -0.132 18521 14898 1 16 . 1 1 60 60 LYS H H 60 7.978 7.978 8.731 -0.753 18521 14899 1 16 . 1 1 61 61 LYS N N 61 119.540 119.540 118.629 0.911 18521 14900 1 16 . 1 1 61 61 LYS HA H 61 3.942 3.942 3.998 -0.056 18521 14901 1 16 . 1 1 61 61 LYS C C 61 178.728 178.728 178.687 0.041 18521 14902 1 16 . 1 1 61 61 LYS CA C 61 58.878 58.878 59.320 -0.442 18521 14903 1 16 . 1 1 61 61 LYS CB C 61 32.626 32.626 32.325 0.301 18521 14904 1 16 . 1 1 61 61 LYS H H 61 7.853 7.853 8.044 -0.191 18521 14905 1 16 . 1 1 62 62 GLU N N 62 121.166 121.166 116.386 4.780 18521 14906 1 16 . 1 1 62 62 GLU HA H 62 3.933 3.933 4.053 -0.120 18521 14907 1 16 . 1 1 62 62 GLU C C 62 178.405 178.405 177.214 1.191 18521 14908 1 16 . 1 1 62 62 GLU CA C 62 58.655 58.655 58.502 0.153 18521 14909 1 16 . 1 1 62 62 GLU CB C 62 29.439 29.439 29.718 -0.279 18521 14910 1 16 . 1 1 62 62 GLU H H 62 7.956 7.956 7.799 0.157 18521 14911 1 16 . 1 1 63 63 ILE N N 63 117.896 117.896 116.662 1.234 18521 14912 1 16 . 1 1 63 63 ILE HA H 63 3.707 3.707 4.173 -0.466 18521 14913 1 16 . 1 1 63 63 ILE C C 63 177.438 177.438 176.724 0.714 18521 14914 1 16 . 1 1 63 63 ILE CA C 63 61.473 61.473 60.318 1.155 18521 14915 1 16 . 1 1 63 63 ILE CB C 63 36.546 36.546 38.703 -2.157 18521 14916 1 16 . 1 1 63 63 ILE H H 63 7.652 7.652 7.345 0.307 18521 14917 1 16 . 1 1 64 64 GLY N N 64 108.028 108.028 109.870 -1.842 18521 14918 1 16 . 1 1 64 64 GLY C C 64 175.261 175.261 175.074 0.187 18521 14919 1 16 . 1 1 64 64 GLY CA C 64 45.891 45.891 46.954 -1.063 18521 14920 1 16 . 1 1 64 64 GLY H H 64 7.654 7.654 8.185 -0.531 18521 14921 1 16 . 1 1 65 65 GLY N N 65 108.488 108.488 106.489 1.999 18521 14922 1 16 . 1 1 65 65 GLY C C 65 174.844 174.844 174.915 -0.071 18521 14923 1 16 . 1 1 65 65 GLY CA C 65 45.608 45.608 45.431 0.177 18521 14924 1 16 . 1 1 65 65 GLY H H 65 7.817 7.817 8.364 -0.547 18521 14925 1 16 . 1 1 66 66 GLU N N 66 121.078 121.078 121.088 -0.010 18521 14926 1 16 . 1 1 66 66 GLU HA H 66 4.167 4.167 4.238 -0.071 18521 14927 1 16 . 1 1 66 66 GLU C C 66 177.218 177.218 178.114 -0.896 18521 14928 1 16 . 1 1 66 66 GLU CA C 66 57.075 57.075 57.141 -0.066 18521 14929 1 16 . 1 1 66 66 GLU CB C 66 30.015 30.015 29.768 0.247 18521 14930 1 16 . 1 1 66 66 GLU H H 66 8.195 8.195 8.222 -0.027 18521 14931 1 16 . 1 1 67 67 SER N N 67 116.370 116.370 115.531 0.839 18521 14932 1 16 . 1 1 67 67 SER HA H 67 4.187 4.187 4.240 -0.053 18521 14933 1 16 . 1 1 67 67 SER C C 67 174.670 174.670 176.328 -1.658 18521 14934 1 16 . 1 1 67 67 SER CA C 67 58.875 58.875 61.820 -2.945 18521 14935 1 16 . 1 1 67 67 SER CB C 67 63.783 63.783 63.028 0.755 18521 14936 1 16 . 1 1 67 67 SER H H 67 8.205 8.205 8.625 -0.420 18521 14937 1 16 . 1 1 68 68 GLU N N 68 122.388 122.388 120.302 2.086 18521 14938 1 16 . 1 1 68 68 GLU HA H 68 4.173 4.173 4.098 0.075 18521 14939 1 16 . 1 1 68 68 GLU C C 68 176.364 176.364 178.078 -1.714 18521 14940 1 16 . 1 1 68 68 GLU CA C 68 56.734 56.734 59.068 -2.334 18521 14941 1 16 . 1 1 68 68 GLU CB C 68 29.986 29.986 29.074 0.912 18521 14942 1 16 . 1 1 68 68 GLU H H 68 8.170 8.170 8.639 -0.469 18521 14943 1 16 . 1 1 69 69 ALA N N 69 124.265 124.265 121.703 2.562 18521 14944 1 16 . 1 1 69 69 ALA HA H 69 4.212 4.212 4.210 0.002 18521 14945 1 16 . 1 1 69 69 ALA C C 69 178.042 178.042 179.019 -0.977 18521 14946 1 16 . 1 1 69 69 ALA CA C 69 52.468 52.468 54.886 -2.418 18521 14947 1 16 . 1 1 69 69 ALA CB C 69 19.411 19.411 18.261 1.150 18521 14948 1 16 . 1 1 69 69 ALA H H 69 7.931 7.931 7.506 0.425 18521 14949 1 16 . 1 1 70 70 GLU N N 70 121.086 121.086 117.461 3.625 18521 14950 1 16 . 1 1 70 70 GLU HA H 70 4.110 4.110 3.982 0.128 18521 14951 1 16 . 1 1 70 70 GLU C C 70 180.047 180.047 178.414 1.633 18521 14952 1 16 . 1 1 70 70 GLU CA C 70 57.325 57.325 58.792 -1.467 18521 14953 1 16 . 1 1 70 70 GLU CB C 70 29.969 29.969 29.482 0.487 18521 14954 1 16 . 1 1 70 70 GLU H H 70 8.447 8.447 7.818 0.629 18521 14955 1 16 . 1 1 71 71 ASP N N 71 120.210 120.210 118.568 1.642 18521 14956 1 16 . 1 1 71 71 ASP HA H 71 4.545 4.545 4.533 0.012 18521 14957 1 16 . 1 1 71 71 ASP C C 71 176.385 176.385 176.924 -0.539 18521 14958 1 16 . 1 1 71 71 ASP CA C 71 54.149 54.149 56.359 -2.210 18521 14959 1 16 . 1 1 71 71 ASP CB C 71 40.756 40.756 41.642 -0.886 18521 14960 1 16 . 1 1 71 71 ASP H H 71 8.308 8.308 7.571 0.737 18521 14961 1 16 . 1 1 72 72 SER N N 72 116.137 116.137 112.829 3.308 18521 14962 1 16 . 1 1 72 72 SER HA H 72 4.259 4.259 4.597 -0.338 18521 14963 1 16 . 1 1 72 72 SER C C 72 174.578 174.578 173.321 1.257 18521 14964 1 16 . 1 1 72 72 SER CA C 72 58.851 58.851 57.893 0.958 18521 14965 1 16 . 1 1 72 72 SER CB C 72 63.870 63.870 63.547 0.323 18521 14966 1 16 . 1 1 72 72 SER H H 72 7.954 7.954 8.035 -0.081 18521 14967 1 16 . 1 1 73 73 ASP N N 73 122.500 122.500 125.247 -2.747 18521 14968 1 16 . 1 1 73 73 ASP HA H 73 4.534 4.534 4.813 -0.279 18521 14969 1 16 . 1 1 73 73 ASP C C 73 176.903 176.903 176.181 0.722 18521 14970 1 16 . 1 1 73 73 ASP CA C 73 54.442 54.442 53.747 0.695 18521 14971 1 16 . 1 1 73 73 ASP CB C 73 41.253 41.253 40.335 0.918 18521 14972 1 16 . 1 1 73 73 ASP H H 73 8.384 8.384 8.549 -0.165 18521 14973 1 16 . 1 1 74 74 LYS N N 74 123.374 123.374 120.304 3.070 18521 14974 1 16 . 1 1 74 74 LYS HA H 74 4.099 4.099 4.374 -0.275 18521 14975 1 16 . 1 1 74 74 LYS C C 74 177.606 177.606 178.481 -0.875 18521 14976 1 16 . 1 1 74 74 LYS CA C 74 57.527 57.527 58.320 -0.793 18521 14977 1 16 . 1 1 74 74 LYS CB C 74 32.115 32.115 33.413 -1.298 18521 14978 1 16 . 1 1 74 74 LYS H H 74 8.338 8.338 7.678 0.660 18521 14979 1 16 . 1 1 75 75 SER N N 75 116.404 116.404 115.563 0.841 18521 14980 1 16 . 1 1 75 75 SER HA H 75 4.190 4.190 4.259 -0.069 18521 14981 1 16 . 1 1 75 75 SER C C 75 176.030 176.030 176.622 -0.592 18521 14982 1 16 . 1 1 75 75 SER CA C 75 60.560 60.560 61.029 -0.469 18521 14983 1 16 . 1 1 75 75 SER CB C 75 62.971 62.971 63.136 -0.165 18521 14984 1 16 . 1 1 75 75 SER H H 75 8.409 8.409 8.323 0.086 18521 14985 1 16 . 1 1 76 76 LEU N N 76 123.753 123.753 122.480 1.273 18521 14986 1 16 . 1 1 76 76 LEU HA H 76 4.121 4.121 4.087 0.034 18521 14987 1 16 . 1 1 76 76 LEU C C 76 178.263 178.263 177.446 0.817 18521 14988 1 16 . 1 1 76 76 LEU CA C 76 56.665 56.665 57.205 -0.540 18521 14989 1 16 . 1 1 76 76 LEU CB C 76 41.538 41.538 41.853 -0.315 18521 14990 1 16 . 1 1 76 76 LEU H H 76 8.068 8.068 7.910 0.158 18521 14991 1 16 . 1 1 77 77 HIS N N 77 120.235 120.235 117.453 2.782 18521 14992 1 16 . 1 1 77 77 HIS HA H 77 4.372 4.372 4.157 0.215 18521 14993 1 16 . 1 1 77 77 HIS C C 77 177.974 177.974 176.796 1.178 18521 14994 1 16 . 1 1 77 77 HIS CA C 77 58.504 58.504 59.666 -1.162 18521 14995 1 16 . 1 1 77 77 HIS CB C 77 30.124 30.124 29.429 0.695 18521 14996 1 16 . 1 1 77 77 HIS H H 77 7.955 7.955 8.036 -0.081 18521 14997 1 16 . 1 1 78 78 VAL N N 78 121.721 121.721 120.202 1.519 18521 14998 1 16 . 1 1 78 78 VAL HA H 78 3.612 3.612 3.653 -0.041 18521 14999 1 16 . 1 1 78 78 VAL C C 78 177.688 177.688 177.737 -0.049 18521 15000 1 16 . 1 1 78 78 VAL CA C 78 65.817 65.817 65.862 -0.045 18521 15001 1 16 . 1 1 78 78 VAL CB C 78 31.729 31.729 31.363 0.366 18521 15002 1 16 . 1 1 78 78 VAL H H 78 7.953 7.953 7.453 0.500 18521 15003 1 16 . 1 1 79 79 MET N N 79 119.138 119.138 118.762 0.376 18521 15004 1 16 . 1 1 79 79 MET HA H 79 3.879 3.879 3.968 -0.089 18521 15005 1 16 . 1 1 79 79 MET C C 79 180.609 180.609 177.874 2.735 18521 15006 1 16 . 1 1 79 79 MET CA C 79 59.210 59.210 59.291 -0.081 18521 15007 1 16 . 1 1 79 79 MET CB C 79 34.157 34.157 32.211 1.946 18521 15008 1 16 . 1 1 79 79 MET H H 79 8.132 8.132 7.755 0.377 18521 15009 1 16 . 1 1 80 80 ASN N N 80 117.000 117.000 116.859 0.141 18521 15010 1 16 . 1 1 80 80 ASN HA H 80 4.161 4.161 4.529 -0.368 18521 15011 1 16 . 1 1 80 80 ASN C C 80 178.212 178.212 176.924 1.288 18521 15012 1 16 . 1 1 80 80 ASN CA C 80 56.827 56.827 56.514 0.313 18521 15013 1 16 . 1 1 80 80 ASN CB C 80 38.920 38.920 37.767 1.153 18521 15014 1 16 . 1 1 80 80 ASN H H 80 8.195 8.195 8.401 -0.206 18521 15015 1 16 . 1 1 81 81 THR N N 81 116.021 116.021 117.206 -1.185 18521 15016 1 16 . 1 1 81 81 THR HA H 81 3.975 3.975 3.988 -0.013 18521 15017 1 16 . 1 1 81 81 THR C C 81 175.237 175.237 176.450 -1.213 18521 15018 1 16 . 1 1 81 81 THR CA C 81 66.507 66.507 67.193 -0.686 18521 15019 1 16 . 1 1 81 81 THR CB C 81 68.813 68.813 68.472 0.341 18521 15020 1 16 . 1 1 81 81 THR H H 81 7.952 7.952 7.747 0.205 18521 15021 1 16 . 1 1 82 82 LEU N N 82 119.041 119.041 119.918 -0.877 18521 15022 1 16 . 1 1 82 82 LEU HA H 82 4.040 4.040 4.102 -0.062 18521 15023 1 16 . 1 1 82 82 LEU C C 82 177.541 177.541 178.066 -0.525 18521 15024 1 16 . 1 1 82 82 LEU CA C 82 56.468 56.468 57.631 -1.163 18521 15025 1 16 . 1 1 82 82 LEU CB C 82 42.247 42.247 41.837 0.411 18521 15026 1 16 . 1 1 82 82 LEU H H 82 7.655 7.655 7.535 0.120 18521 15027 1 16 . 1 1 83 83 ILE N N 83 118.063 118.063 115.393 2.670 18521 15028 1 16 . 1 1 83 83 ILE HA H 83 3.805 3.805 3.922 -0.117 18521 15029 1 16 . 1 1 83 83 ILE C C 83 176.681 176.681 178.259 -1.578 18521 15030 1 16 . 1 1 83 83 ILE CA C 83 63.188 63.188 63.610 -0.422 18521 15031 1 16 . 1 1 83 83 ILE CB C 83 37.939 37.939 38.467 -0.528 18521 15032 1 16 . 1 1 83 83 ILE H H 83 7.455 7.455 7.153 0.302 18521 15033 1 16 . 1 1 84 84 HIS N N 84 116.118 116.118 116.445 -0.327 18521 15034 1 16 . 1 1 84 84 HIS HA H 84 4.568 4.568 4.426 0.142 18521 15035 1 16 . 1 1 84 84 HIS C C 84 175.568 175.568 175.544 0.024 18521 15036 1 16 . 1 1 84 84 HIS CA C 84 58.425 58.425 59.195 -0.770 18521 15037 1 16 . 1 1 84 84 HIS CB C 84 31.801 31.801 30.768 1.033 18521 15038 1 16 . 1 1 84 84 HIS H H 84 7.168 7.168 8.749 -1.581 18521 15039 1 16 . 1 1 85 85 ASP N N 85 122.411 122.411 119.543 2.868 18521 15040 1 16 . 1 1 85 85 ASP HA H 85 4.546 4.546 4.763 -0.217 18521 15041 1 16 . 1 1 85 85 ASP C C 85 175.527 175.527 176.484 -0.957 18521 15042 1 16 . 1 1 85 85 ASP CA C 85 53.215 53.215 53.133 0.082 18521 15043 1 16 . 1 1 85 85 ASP CB C 85 40.936 40.936 40.790 0.146 18521 15044 1 16 . 1 1 85 85 ASP H H 85 8.576 8.576 8.066 0.510 18521 15045 1 16 . 1 1 86 86 GLN N N 86 122.561 122.561 126.717 -4.156 18521 15046 1 16 . 1 1 86 86 GLN HA H 86 4.077 4.077 4.203 -0.126 18521 15047 1 16 . 1 1 86 86 GLN C C 86 178.518 178.518 177.865 0.653 18521 15048 1 16 . 1 1 86 86 GLN CA C 86 57.816 57.816 58.730 -0.914 18521 15049 1 16 . 1 1 86 86 GLN CB C 86 29.165 29.165 28.912 0.253 18521 15050 1 16 . 1 1 86 86 GLN H H 86 8.715 8.715 8.510 0.205 18521 15051 1 16 . 1 1 87 87 GLU N N 87 121.616 121.616 120.244 1.372 18521 15052 1 16 . 1 1 87 87 GLU HA H 87 4.042 4.042 3.656 0.386 18521 15053 1 16 . 1 1 87 87 GLU C C 87 178.154 178.154 178.105 0.049 18521 15054 1 16 . 1 1 87 87 GLU CA C 87 59.051 59.051 59.632 -0.581 18521 15055 1 16 . 1 1 87 87 GLU CB C 87 29.231 29.231 29.075 0.156 18521 15056 1 16 . 1 1 87 87 GLU H H 87 8.073 8.073 7.882 0.191 18521 15057 1 16 . 1 1 88 88 LYS N N 88 119.006 119.006 119.260 -0.254 18521 15058 1 16 . 1 1 88 88 LYS HA H 88 3.754 3.754 4.045 -0.291 18521 15059 1 16 . 1 1 88 88 LYS C C 88 177.129 177.129 178.633 -1.504 18521 15060 1 16 . 1 1 88 88 LYS CA C 88 59.721 59.721 59.166 0.555 18521 15061 1 16 . 1 1 88 88 LYS CB C 88 32.253 32.253 32.234 0.019 18521 15062 1 16 . 1 1 88 88 LYS H H 88 7.525 7.525 8.339 -0.814 18521 15063 1 16 . 1 1 89 89 ALA N N 89 121.945 121.945 121.552 0.393 18521 15064 1 16 . 1 1 89 89 ALA HA H 89 3.734 3.734 4.060 -0.326 18521 15065 1 16 . 1 1 89 89 ALA C C 89 177.545 177.545 179.012 -1.467 18521 15066 1 16 . 1 1 89 89 ALA CA C 89 55.977 55.977 55.170 0.807 18521 15067 1 16 . 1 1 89 89 ALA CB C 89 18.763 18.763 18.035 0.728 18521 15068 1 16 . 1 1 89 89 ALA H H 89 8.472 8.472 8.019 0.453 18521 15069 1 16 . 1 1 90 90 LYS N N 90 117.743 117.743 119.052 -1.309 18521 15070 1 16 . 1 1 90 90 LYS HA H 90 4.015 4.015 2.758 1.257 18521 15071 1 16 . 1 1 90 90 LYS C C 90 177.667 177.667 178.450 -0.783 18521 15072 1 16 . 1 1 90 90 LYS CA C 90 58.703 58.703 58.770 -0.067 18521 15073 1 16 . 1 1 90 90 LYS CB C 90 32.779 32.779 31.427 1.352 18521 15074 1 16 . 1 1 90 90 LYS H H 90 6.684 6.684 7.629 -0.945 18521 15075 1 16 . 1 1 91 91 ILE N N 91 117.216 117.216 118.862 -1.646 18521 15076 1 16 . 1 1 91 91 ILE HA H 91 3.414 3.414 3.591 -0.177 18521 15077 1 16 . 1 1 91 91 ILE C C 91 178.422 178.422 177.854 0.568 18521 15078 1 16 . 1 1 91 91 ILE CA C 91 64.094 64.094 65.099 -1.005 18521 15079 1 16 . 1 1 91 91 ILE CB C 91 37.481 37.481 37.780 -0.299 18521 15080 1 16 . 1 1 91 91 ILE H H 91 7.196 7.196 7.342 -0.146 18521 15081 1 16 . 1 1 92 92 TYR N N 92 122.201 122.201 121.123 1.078 18521 15082 1 16 . 1 1 92 92 TYR HA H 92 4.047 4.047 4.127 -0.080 18521 15083 1 16 . 1 1 92 92 TYR C C 92 177.726 177.726 177.343 0.383 18521 15084 1 16 . 1 1 92 92 TYR CA C 92 61.771 61.771 61.379 0.392 18521 15085 1 16 . 1 1 92 92 TYR CB C 92 39.295 39.295 38.277 1.018 18521 15086 1 16 . 1 1 92 92 TYR H H 92 8.466 8.466 7.616 0.850 18521 15087 1 16 . 1 1 93 93 MET N N 93 117.420 117.420 119.720 -2.300 18521 15088 1 16 . 1 1 93 93 MET HA H 93 3.896 3.896 3.864 0.032 18521 15089 1 16 . 1 1 93 93 MET C C 93 180.221 180.221 177.801 2.420 18521 15090 1 16 . 1 1 93 93 MET CA C 93 57.586 57.586 58.204 -0.618 18521 15091 1 16 . 1 1 93 93 MET CB C 93 30.854 30.854 32.236 -1.382 18521 15092 1 16 . 1 1 93 93 MET H H 93 8.269 8.269 8.717 -0.448 18521 15093 1 16 . 1 1 94 94 LEU N N 94 125.183 125.183 120.200 4.983 18521 15094 1 16 . 1 1 94 94 LEU HA H 94 3.826 3.826 3.875 -0.049 18521 15095 1 16 . 1 1 94 94 LEU C C 94 177.787 177.787 178.162 -0.375 18521 15096 1 16 . 1 1 94 94 LEU CA C 94 58.729 58.729 58.446 0.284 18521 15097 1 16 . 1 1 94 94 LEU CB C 94 42.188 42.188 41.559 0.629 18521 15098 1 16 . 1 1 94 94 LEU H H 94 8.733 8.733 8.480 0.253 18521 15099 1 16 . 1 1 95 95 ASN N N 95 121.517 121.517 118.503 3.014 18521 15100 1 16 . 1 1 95 95 ASN HA H 95 4.184 4.184 4.303 -0.119 18521 15101 1 16 . 1 1 95 95 ASN C C 95 178.481 178.481 177.742 0.739 18521 15102 1 16 . 1 1 95 95 ASN CA C 95 56.312 56.312 56.391 -0.079 18521 15103 1 16 . 1 1 95 95 ASN H H 95 8.951 8.951 8.198 0.753 18521 15104 1 16 . 1 1 96 96 PHE N N 96 122.778 122.778 121.630 1.148 18521 15105 1 16 . 1 1 96 96 PHE HA H 96 4.341 4.341 4.229 0.112 18521 15106 1 16 . 1 1 96 96 PHE C C 96 177.925 177.925 177.286 0.639 18521 15107 1 16 . 1 1 96 96 PHE CA C 96 62.427 62.427 61.803 0.624 18521 15108 1 16 . 1 1 96 96 PHE H H 96 8.454 8.454 8.430 0.024 18521 15109 1 16 . 1 1 97 97 THR N N 97 117.115 117.115 116.977 0.138 18521 15110 1 16 . 1 1 97 97 THR HA H 97 3.369 3.369 3.773 -0.404 18521 15111 1 16 . 1 1 97 97 THR C C 97 176.185 176.185 176.439 -0.254 18521 15112 1 16 . 1 1 97 97 THR CA C 97 68.090 68.090 67.490 0.600 18521 15113 1 16 . 1 1 97 97 THR CB C 97 68.087 68.087 68.576 -0.489 18521 15114 1 16 . 1 1 97 97 THR H H 97 8.209 8.209 8.736 -0.527 18521 15115 1 16 . 1 1 98 98 MET N N 98 119.373 119.373 120.096 -0.723 18521 15116 1 16 . 1 1 98 98 MET HA H 98 4.360 4.360 4.438 -0.078 18521 15117 1 16 . 1 1 98 98 MET C C 98 177.887 177.887 178.482 -0.595 18521 15118 1 16 . 1 1 98 98 MET CA C 98 58.143 58.143 57.151 0.992 18521 15119 1 16 . 1 1 98 98 MET CB C 98 31.948 31.948 31.673 0.275 18521 15120 1 16 . 1 1 98 98 MET H H 98 8.958 8.958 8.730 0.228 18521 15121 1 16 . 1 1 99 99 SER N N 99 114.517 114.517 116.794 -2.277 18521 15122 1 16 . 1 1 99 99 SER HA H 99 4.043 4.043 4.092 -0.049 18521 15123 1 16 . 1 1 99 99 SER C C 99 176.195 176.195 176.761 -0.566 18521 15124 1 16 . 1 1 99 99 SER CA C 99 62.481 62.481 61.164 1.317 18521 15125 1 16 . 1 1 99 99 SER CB C 99 62.692 62.692 62.940 -0.248 18521 15126 1 16 . 1 1 99 99 SER H H 99 7.708 7.708 8.284 -0.576 18521 15127 1 16 . 1 1 100 100 LEU N N 100 125.126 125.126 123.645 1.481 18521 15128 1 16 . 1 1 100 100 LEU HA H 100 3.913 3.913 3.988 -0.075 18521 15129 1 16 . 1 1 100 100 LEU C C 100 177.327 177.327 178.087 -0.760 18521 15130 1 16 . 1 1 100 100 LEU CA C 100 58.005 58.005 57.397 0.608 18521 15131 1 16 . 1 1 100 100 LEU CB C 100 41.841 41.841 41.585 0.256 18521 15132 1 16 . 1 1 100 100 LEU H H 100 7.277 7.277 7.654 -0.377 18521 15133 1 16 . 1 1 101 101 TYR N N 101 120.940 120.940 119.583 1.357 18521 15134 1 16 . 1 1 101 101 TYR HA H 101 4.143 4.143 4.189 -0.046 18521 15135 1 16 . 1 1 101 101 TYR C C 101 176.784 176.784 177.532 -0.748 18521 15136 1 16 . 1 1 101 101 TYR CA C 101 61.543 61.543 60.660 0.883 18521 15137 1 16 . 1 1 101 101 TYR CB C 101 40.909 40.909 38.346 2.563 18521 15138 1 16 . 1 1 101 101 TYR H H 101 8.858 8.858 8.704 0.154 18521 15139 1 16 . 1 1 102 102 ASN N N 102 119.067 119.067 117.348 1.719 18521 15140 1 16 . 1 1 102 102 ASN HA H 102 4.116 4.116 4.132 -0.016 18521 15141 1 16 . 1 1 102 102 ASN C C 102 178.713 178.713 177.355 1.358 18521 15142 1 16 . 1 1 102 102 ASN CA C 102 55.734 55.734 56.865 -1.131 18521 15143 1 16 . 1 1 102 102 ASN H H 102 8.700 8.700 8.821 -0.121 18521 15144 1 16 . 1 1 103 103 GLU N N 103 119.558 119.558 120.153 -0.595 18521 15145 1 16 . 1 1 103 103 GLU HA H 103 3.944 3.944 3.945 -0.001 18521 15146 1 16 . 1 1 103 103 GLU C C 103 179.012 179.012 179.026 -0.014 18521 15147 1 16 . 1 1 103 103 GLU CA C 103 59.506 59.506 59.481 0.025 18521 15148 1 16 . 1 1 103 103 GLU CB C 103 29.349 29.349 29.549 -0.199 18521 15149 1 16 . 1 1 103 103 GLU H H 103 7.599 7.599 7.920 -0.321 18521 15150 1 16 . 1 1 104 104 LYS N N 104 120.218 120.218 118.651 1.567 18521 15151 1 16 . 1 1 104 104 LYS HA H 104 4.051 4.051 4.059 -0.008 18521 15152 1 16 . 1 1 104 104 LYS C C 104 178.477 178.477 178.833 -0.356 18521 15153 1 16 . 1 1 104 104 LYS CA C 104 56.534 56.534 57.959 -1.425 18521 15154 1 16 . 1 1 104 104 LYS CB C 104 29.108 29.108 32.091 -2.983 18521 15155 1 16 . 1 1 104 104 LYS H H 104 8.311 8.311 7.556 0.755 18521 15156 1 16 . 1 1 105 105 LEU N N 105 122.110 122.110 119.798 2.312 18521 15157 1 16 . 1 1 105 105 LEU HA H 105 3.774 3.774 3.833 -0.059 18521 15158 1 16 . 1 1 105 105 LEU C C 105 180.224 180.224 178.609 1.615 18521 15159 1 16 . 1 1 105 105 LEU CA C 105 58.148 58.148 57.839 0.309 18521 15160 1 16 . 1 1 105 105 LEU CB C 105 42.394 42.394 41.253 1.141 18521 15161 1 16 . 1 1 105 105 LEU H H 105 8.604 8.604 8.050 0.554 18521 15162 1 16 . 1 1 106 106 LYS N N 106 119.031 119.031 119.445 -0.414 18521 15163 1 16 . 1 1 106 106 LYS HA H 106 4.035 4.035 3.885 0.150 18521 15164 1 16 . 1 1 106 106 LYS C C 106 178.496 178.496 179.240 -0.744 18521 15165 1 16 . 1 1 106 106 LYS CA C 106 59.820 59.820 59.646 0.174 18521 15166 1 16 . 1 1 106 106 LYS CB C 106 31.956 31.956 32.163 -0.207 18521 15167 1 16 . 1 1 106 106 LYS H H 106 7.339 7.339 7.742 -0.403 18521 15168 1 16 . 1 1 107 107 GLN N N 107 121.417 121.417 118.021 3.396 18521 15169 1 16 . 1 1 107 107 GLN HA H 107 3.744 3.744 3.846 -0.102 18521 15170 1 16 . 1 1 107 107 GLN C C 107 178.103 178.103 178.310 -0.207 18521 15171 1 16 . 1 1 107 107 GLN CA C 107 58.582 58.582 58.395 0.187 18521 15172 1 16 . 1 1 107 107 GLN CB C 107 26.969 26.969 27.936 -0.967 18521 15173 1 16 . 1 1 107 107 GLN H H 107 7.590 7.590 7.617 -0.027 18521 15174 1 16 . 1 1 108 108 LEU N N 108 120.629 120.629 118.801 1.828 18521 15175 1 16 . 1 1 108 108 LEU HA H 108 3.806 3.806 4.493 -0.687 18521 15176 1 16 . 1 1 108 108 LEU C C 108 178.978 178.978 178.279 0.699 18521 15177 1 16 . 1 1 108 108 LEU CA C 108 58.306 58.306 57.498 0.808 18521 15178 1 16 . 1 1 108 108 LEU CB C 108 42.112 42.112 41.793 0.319 18521 15179 1 16 . 1 1 108 108 LEU H H 108 8.450 8.450 7.444 1.006 18521 15180 1 16 . 1 1 109 109 LYS N N 109 119.584 119.584 117.528 2.056 18521 15181 1 16 . 1 1 109 109 LYS HA H 109 4.166 4.166 4.090 0.076 18521 15182 1 16 . 1 1 109 109 LYS C C 109 177.859 177.859 177.129 0.730 18521 15183 1 16 . 1 1 109 109 LYS CA C 109 58.746 58.746 58.745 0.001 18521 15184 1 16 . 1 1 109 109 LYS CB C 109 32.637 32.637 32.745 -0.108 18521 15185 1 16 . 1 1 109 109 LYS H H 109 7.295 7.295 7.839 -0.544 18521 15186 1 16 . 1 1 110 110 ASP N N 110 116.950 116.950 113.307 3.643 18521 15187 1 16 . 1 1 110 110 ASP HA H 110 4.604 4.604 4.983 -0.379 18521 15188 1 16 . 1 1 110 110 ASP C C 110 177.157 177.157 175.013 2.144 18521 15189 1 16 . 1 1 110 110 ASP CA C 110 55.768 55.768 54.322 1.446 18521 15190 1 16 . 1 1 110 110 ASP CB C 110 42.724 42.724 43.489 -0.765 18521 15191 1 16 . 1 1 110 110 ASP H H 110 7.807 7.807 7.741 0.066 18521 15192 1 16 . 1 1 111 111 GLY N N 111 114.046 114.046 110.125 3.921 18521 15193 1 16 . 1 1 111 111 GLY CA C 111 41.845 41.845 44.233 -2.388 18521 15194 1 16 . 1 1 111 111 GLY H H 111 8.554 8.554 7.439 1.115 18521 15195 1 16 . 1 1 112 112 PRO HA H 112 4.552 4.552 4.041 0.511 18521 15196 1 16 . 1 1 112 112 PRO C C 112 174.967 174.967 175.834 -0.867 18521 15197 1 16 . 1 1 112 112 PRO CA C 112 61.222 61.222 62.695 -1.473 18521 15198 1 16 . 1 1 112 112 PRO CB C 112 35.056 35.056 32.250 2.806 18521 15199 1 16 . 1 1 113 113 TRP N N 113 123.139 123.139 123.521 -0.382 18521 15200 1 16 . 1 1 113 113 TRP HA H 113 4.650 4.650 4.877 -0.227 18521 15201 1 16 . 1 1 113 113 TRP C C 113 174.604 174.604 175.427 -0.823 18521 15202 1 16 . 1 1 113 113 TRP CA C 113 58.154 58.154 56.655 1.499 18521 15203 1 16 . 1 1 113 113 TRP CB C 113 27.048 27.048 31.281 -4.233 18521 15204 1 16 . 1 1 113 113 TRP H H 113 8.671 8.671 8.570 0.101 18521 15205 1 16 . 1 1 114 114 ASP N N 114 121.440 121.440 119.530 1.910 18521 15206 1 16 . 1 1 114 114 ASP HA H 114 4.930 4.930 4.815 0.115 18521 15207 1 16 . 1 1 114 114 ASP C C 114 176.979 176.979 176.250 0.729 18521 15208 1 16 . 1 1 114 114 ASP CA C 114 52.223 52.223 52.603 -0.381 18521 15209 1 16 . 1 1 114 114 ASP CB C 114 43.192 43.192 42.307 0.885 18521 15210 1 16 . 1 1 114 114 ASP H H 114 6.950 6.950 8.164 -1.214 18521 15211 1 16 . 1 1 115 115 VAL N N 115 118.386 118.386 120.045 -1.659 18521 15212 1 16 . 1 1 115 115 VAL HA H 115 3.825 3.825 3.745 0.080 18521 15213 1 16 . 1 1 115 115 VAL C C 115 177.760 177.760 178.064 -0.304 18521 15214 1 16 . 1 1 115 115 VAL CA C 115 65.611 65.611 66.201 -0.590 18521 15215 1 16 . 1 1 115 115 VAL CB C 115 31.657 31.657 32.048 -0.391 18521 15216 1 16 . 1 1 115 115 VAL H H 115 8.181 8.181 8.456 -0.275 18521 15217 1 16 . 1 1 116 116 MET N N 116 120.354 120.354 119.169 1.185 18521 15218 1 16 . 1 1 116 116 MET HA H 116 4.284 4.284 4.169 0.115 18521 15219 1 16 . 1 1 116 116 MET C C 116 179.336 179.336 178.402 0.934 18521 15220 1 16 . 1 1 116 116 MET CA C 116 57.392 57.392 58.762 -1.370 18521 15221 1 16 . 1 1 116 116 MET CB C 116 30.450 30.450 32.245 -1.795 18521 15222 1 16 . 1 1 116 116 MET H H 116 7.661 7.661 7.974 -0.313 18521 15223 1 16 . 1 1 117 117 LEU N N 117 125.774 125.774 120.178 5.596 18521 15224 1 16 . 1 1 117 117 LEU HA H 117 4.129 4.129 3.986 0.143 18521 15225 1 16 . 1 1 117 117 LEU C C 117 178.399 178.399 177.845 0.554 18521 15226 1 16 . 1 1 117 117 LEU CA C 117 58.353 58.353 58.538 -0.185 18521 15227 1 16 . 1 1 117 117 LEU CB C 117 40.392 40.392 41.583 -1.191 18521 15228 1 16 . 1 1 117 117 LEU H H 117 8.179 8.179 9.167 -0.988 18521 15229 1 16 . 1 1 118 118 LYS N N 118 118.471 118.471 119.033 -0.562 18521 15230 1 16 . 1 1 118 118 LYS HA H 118 3.824 3.824 4.004 -0.180 18521 15231 1 16 . 1 1 118 118 LYS C C 118 178.259 178.259 179.206 -0.947 18521 15232 1 16 . 1 1 118 118 LYS CA C 118 60.497 60.497 59.897 0.600 18521 15233 1 16 . 1 1 118 118 LYS CB C 118 32.355 32.355 32.162 0.193 18521 15234 1 16 . 1 1 118 118 LYS H H 118 7.359 7.359 7.424 -0.065 18521 15235 1 16 . 1 1 119 119 ARG N N 119 117.838 117.838 118.695 -0.857 18521 15236 1 16 . 1 1 119 119 ARG HA H 119 4.158 4.158 4.290 -0.132 18521 15237 1 16 . 1 1 119 119 ARG C C 119 180.132 180.132 179.205 0.927 18521 15238 1 16 . 1 1 119 119 ARG CA C 119 59.535 59.535 59.436 0.099 18521 15239 1 16 . 1 1 119 119 ARG CB C 119 29.994 29.994 30.302 -0.308 18521 15240 1 16 . 1 1 119 119 ARG H H 119 8.316 8.316 7.947 0.369 18521 15241 1 16 . 1 1 120 120 SER N N 120 117.258 117.258 116.493 0.765 18521 15242 1 16 . 1 1 120 120 SER HA H 120 4.374 4.374 4.276 0.098 18521 15243 1 16 . 1 1 120 120 SER C C 120 176.034 176.034 176.412 -0.378 18521 15244 1 16 . 1 1 120 120 SER CA C 120 62.728 62.728 61.874 0.854 18521 15245 1 16 . 1 1 120 120 SER CB C 120 63.050 63.050 62.816 0.234 18521 15246 1 16 . 1 1 120 120 SER H H 120 8.598 8.598 8.089 0.509 18521 15247 1 16 . 1 1 121 121 LEU N N 121 125.307 125.307 122.079 3.228 18521 15248 1 16 . 1 1 121 121 LEU HA H 121 4.192 4.192 4.167 0.025 18521 15249 1 16 . 1 1 121 121 LEU C C 121 179.621 179.621 178.985 0.636 18521 15250 1 16 . 1 1 121 121 LEU CA C 121 58.894 58.894 58.003 0.891 18521 15251 1 16 . 1 1 121 121 LEU CB C 121 41.188 41.188 41.587 -0.399 18521 15252 1 16 . 1 1 121 121 LEU H H 121 8.250 8.250 8.241 0.009 18521 15253 1 16 . 1 1 122 122 TRP N N 122 120.444 120.444 119.761 0.683 18521 15254 1 16 . 1 1 122 122 TRP HA H 122 4.368 4.368 4.358 0.010 18521 15255 1 16 . 1 1 122 122 TRP C C 122 176.943 176.943 178.593 -1.650 18521 15256 1 16 . 1 1 122 122 TRP CA C 122 61.452 61.452 61.445 0.007 18521 15257 1 16 . 1 1 122 122 TRP CB C 122 29.823 29.823 29.247 0.576 18521 15258 1 16 . 1 1 122 122 TRP H H 122 7.873 7.873 7.724 0.149 18521 15259 1 16 . 1 1 123 123 CYS N N 123 120.188 120.188 119.585 0.603 18521 15260 1 16 . 1 1 123 123 CYS HA H 123 4.264 4.264 4.282 -0.018 18521 15261 1 16 . 1 1 123 123 CYS C C 123 176.875 176.875 177.067 -0.192 18521 15262 1 16 . 1 1 123 123 CYS CA C 123 60.573 60.573 62.117 -1.544 18521 15263 1 16 . 1 1 123 123 CYS CB C 123 25.642 25.642 26.819 -1.177 18521 15264 1 16 . 1 1 123 123 CYS H H 123 8.271 8.271 8.081 0.190 18521 15265 1 16 . 1 1 124 124 CYS N N 124 116.760 116.760 119.366 -2.606 18521 15266 1 16 . 1 1 124 124 CYS HA H 124 3.880 3.880 4.014 -0.134 18521 15267 1 16 . 1 1 124 124 CYS C C 124 175.810 175.810 177.023 -1.213 18521 15268 1 16 . 1 1 124 124 CYS CA C 124 65.646 65.646 64.498 1.148 18521 15269 1 16 . 1 1 124 124 CYS CB C 124 28.069 28.069 27.737 0.332 18521 15270 1 16 . 1 1 124 124 CYS H H 124 8.208 8.208 7.898 0.310 18521 15271 1 16 . 1 1 125 125 ILE N N 125 121.167 121.167 120.812 0.355 18521 15272 1 16 . 1 1 125 125 ILE HA H 125 3.580 3.580 3.753 -0.173 18521 15273 1 16 . 1 1 125 125 ILE C C 125 179.302 179.302 177.698 1.604 18521 15274 1 16 . 1 1 125 125 ILE CA C 125 67.663 67.663 65.919 1.744 18521 15275 1 16 . 1 1 125 125 ILE CB C 125 37.988 37.988 37.473 0.515 18521 15276 1 16 . 1 1 125 125 ILE H H 125 8.073 8.073 8.288 -0.215 18521 15277 1 16 . 1 1 126 126 ASP N N 126 124.812 124.812 120.344 4.468 18521 15278 1 16 . 1 1 126 126 ASP HA H 126 4.622 4.622 4.535 0.087 18521 15279 1 16 . 1 1 126 126 ASP C C 126 178.091 178.091 179.050 -0.959 18521 15280 1 16 . 1 1 126 126 ASP CA C 126 58.885 58.885 57.283 1.602 18521 15281 1 16 . 1 1 126 126 ASP CB C 126 40.408 40.408 40.412 -0.004 18521 15282 1 16 . 1 1 126 126 ASP H H 126 8.778 8.778 7.807 0.971 18521 15283 1 16 . 1 1 127 127 LEU N N 127 122.531 122.531 119.979 2.552 18521 15284 1 16 . 1 1 127 127 LEU HA H 127 3.841 3.841 3.827 0.014 18521 15285 1 16 . 1 1 127 127 LEU C C 127 179.582 179.582 178.948 0.634 18521 15286 1 16 . 1 1 127 127 LEU CA C 127 58.632 58.632 57.798 0.834 18521 15287 1 16 . 1 1 127 127 LEU CB C 127 42.680 42.680 41.564 1.116 18521 15288 1 16 . 1 1 127 127 LEU H H 127 8.888 8.888 7.363 1.525 18521 15289 1 16 . 1 1 128 128 ILE N N 128 121.311 121.311 118.823 2.488 18521 15290 1 16 . 1 1 128 128 ILE HA H 128 3.938 3.938 3.684 0.254 18521 15291 1 16 . 1 1 128 128 ILE C C 128 176.725 176.725 178.258 -1.533 18521 15292 1 16 . 1 1 128 128 ILE CA C 128 60.922 60.922 64.965 -4.043 18521 15293 1 16 . 1 1 128 128 ILE CB C 128 38.971 38.971 37.271 1.700 18521 15294 1 16 . 1 1 128 128 ILE H H 128 7.469 7.469 7.881 -0.412 18521 15295 1 16 . 1 1 129 129 ASN N N 129 122.727 122.727 118.296 4.431 18521 15296 1 16 . 1 1 129 129 ASN HA H 129 4.582 4.582 4.395 0.187 18521 15297 1 16 . 1 1 129 129 ASN C C 129 177.132 177.132 177.309 -0.177 18521 15298 1 16 . 1 1 129 129 ASN CA C 129 52.982 52.982 56.586 -3.604 18521 15299 1 16 . 1 1 129 129 ASN CB C 129 38.792 38.792 38.299 0.493 18521 15300 1 16 . 1 1 129 129 ASN H H 129 8.173 8.173 8.282 -0.109 18521 15301 1 16 . 1 1 130 130 ILE N N 130 120.527 120.527 122.456 -1.929 18521 15302 1 16 . 1 1 130 130 ILE HA H 130 4.305 4.305 2.513 1.792 18521 15303 1 16 . 1 1 130 130 ILE C C 130 175.796 175.796 177.165 -1.369 18521 15304 1 16 . 1 1 130 130 ILE CA C 130 61.246 61.246 62.580 -1.333 18521 15305 1 16 . 1 1 130 130 ILE CB C 130 38.797 38.797 36.608 2.189 18521 15306 1 16 . 1 1 130 130 ILE H H 130 8.096 8.096 7.318 0.778 18521 15307 1 16 . 1 1 131 131 ASP N N 131 122.165 122.165 121.518 0.647 18521 15308 1 16 . 1 1 131 131 ASP HA H 131 4.416 4.416 3.934 0.482 18521 15309 1 16 . 1 1 131 131 ASP C C 131 176.750 176.750 178.369 -1.619 18521 15310 1 16 . 1 1 131 131 ASP CA C 131 55.955 55.955 57.997 -2.042 18521 15311 1 16 . 1 1 131 131 ASP CB C 131 41.117 41.117 40.629 0.488 18521 15312 1 16 . 1 1 131 131 ASP H H 131 8.157 8.157 7.729 0.428 18521 15313 1 16 . 1 1 132 132 LYS N N 132 119.537 119.537 117.785 1.752 18521 15314 1 16 . 1 1 132 132 LYS HA H 132 4.373 4.373 3.960 0.413 18521 15315 1 16 . 1 1 132 132 LYS C C 132 176.405 176.405 178.047 -1.642 18521 15316 1 16 . 1 1 132 132 LYS CA C 132 55.699 55.699 59.160 -3.461 18521 15317 1 16 . 1 1 132 132 LYS CB C 132 32.822 32.822 32.192 0.630 18521 15318 1 16 . 1 1 132 132 LYS H H 132 8.023 8.023 7.557 0.466 18521 15319 1 16 . 1 1 133 133 LEU N N 133 120.242 120.242 119.818 0.424 18521 15320 1 16 . 1 1 133 133 LEU HA H 133 4.158 4.158 4.275 -0.117 18521 15321 1 16 . 1 1 133 133 LEU C C 133 178.449 178.449 179.758 -1.309 18521 15322 1 16 . 1 1 133 133 LEU CA C 133 57.538 57.538 57.895 -0.357 18521 15323 1 16 . 1 1 133 133 LEU CB C 133 41.572 41.572 42.813 -1.241 18521 15324 1 16 . 1 1 133 133 LEU H H 133 8.024 8.024 7.574 0.450 18521 15325 1 16 . 1 1 134 134 GLN N N 134 117.985 117.985 117.730 0.255 18521 15326 1 16 . 1 1 134 134 GLN HA H 134 4.018 4.018 3.844 0.174 18521 15327 1 16 . 1 1 134 134 GLN C C 134 179.500 179.500 176.881 2.619 18521 15328 1 16 . 1 1 134 134 GLN CA C 134 58.175 58.175 57.846 0.329 18521 15329 1 16 . 1 1 134 134 GLN CB C 134 29.102 29.102 28.249 0.853 18521 15330 1 16 . 1 1 134 134 GLN H H 134 8.536 8.536 8.205 0.331 18521 15331 1 16 . 1 1 135 135 TRP N N 135 115.550 115.550 115.839 -0.289 18521 15332 1 16 . 1 1 135 135 TRP HA H 135 4.991 4.991 4.924 0.067 18521 15333 1 16 . 1 1 135 135 TRP C C 135 175.170 175.170 175.301 -0.131 18521 15334 1 16 . 1 1 135 135 TRP CA C 135 59.426 59.426 55.924 3.502 18521 15335 1 16 . 1 1 135 135 TRP CB C 135 26.894 26.894 28.188 -1.294 18521 15336 1 16 . 1 1 135 135 TRP H H 135 7.727 7.727 7.322 0.405 18521 15337 1 16 . 1 1 136 136 LYS N N 136 119.841 119.841 120.554 -0.713 18521 15338 1 16 . 1 1 136 136 LYS HA H 136 3.830 3.830 4.043 -0.213 18521 15339 1 16 . 1 1 136 136 LYS C C 136 178.330 178.330 178.748 -0.418 18521 15340 1 16 . 1 1 136 136 LYS CA C 136 60.194 60.194 60.309 -0.115 18521 15341 1 16 . 1 1 136 136 LYS CB C 136 32.902 32.902 32.469 0.433 18521 15342 1 16 . 1 1 136 136 LYS H H 136 6.580 6.580 7.919 -1.339 18521 15343 1 16 . 1 1 137 137 GLU N N 137 115.250 115.250 116.217 -0.967 18521 15344 1 16 . 1 1 137 137 GLU HA H 137 4.177 4.177 4.153 0.024 18521 15345 1 16 . 1 1 137 137 GLU C C 137 176.698 176.698 177.106 -0.408 18521 15346 1 16 . 1 1 137 137 GLU CA C 137 57.766 57.766 58.393 -0.627 18521 15347 1 16 . 1 1 137 137 GLU CB C 137 29.221 29.221 29.351 -0.130 18521 15348 1 16 . 1 1 137 137 GLU H H 137 8.549 8.549 8.766 -0.217 18521 15349 1 16 . 1 1 138 138 ASN N N 138 116.578 116.578 115.707 0.871 18521 15350 1 16 . 1 1 138 138 ASN HA H 138 4.943 4.943 4.793 0.150 18521 15351 1 16 . 1 1 138 138 ASN C C 138 173.448 173.448 174.089 -0.641 18521 15352 1 16 . 1 1 138 138 ASN CA C 138 52.681 52.681 53.469 -0.788 18521 15353 1 16 . 1 1 138 138 ASN CB C 138 40.833 40.833 39.553 1.280 18521 15354 1 16 . 1 1 138 138 ASN H H 138 8.337 8.337 7.641 0.696 18521 15355 1 16 . 1 1 139 139 ILE N N 139 120.835 120.835 119.560 1.275 18521 15356 1 16 . 1 1 139 139 ILE HA H 139 4.339 4.339 4.286 0.053 18521 15357 1 16 . 1 1 139 139 ILE C C 139 175.219 175.219 175.059 0.160 18521 15358 1 16 . 1 1 139 139 ILE CA C 139 60.867 60.867 60.508 0.359 18521 15359 1 16 . 1 1 139 139 ILE CB C 139 40.270 40.270 39.969 0.301 18521 15360 1 16 . 1 1 139 139 ILE H H 139 7.138 7.138 7.238 -0.100 18521 15361 1 16 . 1 1 140 140 MET N N 140 123.319 123.319 121.999 1.320 18521 15362 1 16 . 1 1 140 140 MET HA H 140 4.324 4.324 4.511 -0.188 18521 15363 1 16 . 1 1 140 140 MET C C 140 177.931 177.931 177.199 0.732 18521 15364 1 16 . 1 1 140 140 MET CA C 140 58.511 58.511 55.529 2.982 18521 15365 1 16 . 1 1 140 140 MET CB C 140 65.156 65.156 64.485 0.671 18521 15366 1 16 . 1 1 140 140 MET H H 140 8.714 8.714 8.424 0.290 18521 15367 1 16 . 1 1 141 141 LEU N N 141 120.610 120.610 123.918 -3.308 18521 15368 1 16 . 1 1 141 141 LEU HA H 141 4.047 4.047 4.092 -0.045 18521 15369 1 16 . 1 1 141 141 LEU C C 141 177.281 177.281 178.933 -1.652 18521 15370 1 16 . 1 1 141 141 LEU CA C 141 58.362 58.362 58.314 0.048 18521 15371 1 16 . 1 1 141 141 LEU H H 141 8.333 8.333 9.003 -0.670 18521 15372 1 16 . 1 1 142 142 ASP N N 142 121.268 121.268 120.924 0.344 18521 15373 1 16 . 1 1 142 142 ASP HA H 142 4.415 4.415 4.420 -0.005 18521 15374 1 16 . 1 1 142 142 ASP C C 142 175.916 175.916 178.178 -2.262 18521 15375 1 16 . 1 1 142 142 ASP CA C 142 54.678 54.678 58.778 -4.100 18521 15376 1 16 . 1 1 142 142 ASP CB C 142 68.329 68.329 68.436 -0.107 18521 15377 1 16 . 1 1 142 142 ASP H H 142 8.199 8.199 8.259 -0.060 18521 15378 1 16 . 1 1 143 143 LEU N N 143 120.218 120.218 123.057 -2.839 18521 15379 1 16 . 1 1 143 143 LEU HA H 143 4.108 4.108 4.005 0.103 18521 15380 1 16 . 1 1 143 143 LEU C C 143 176.205 176.205 178.774 -2.569 18521 15381 1 16 . 1 1 143 143 LEU CA C 143 57.314 57.314 58.136 -0.822 18521 15382 1 16 . 1 1 143 143 LEU CB C 143 39.700 39.700 41.818 -2.118 18521 15383 1 16 . 1 1 143 143 LEU H H 143 7.858 7.858 8.036 -0.178 18521 15384 1 16 . 1 1 144 144 ILE N N 144 121.582 121.582 124.831 -3.249 18521 15385 1 16 . 1 1 144 144 ILE HA H 144 4.083 4.083 3.794 0.289 18521 15386 1 16 . 1 1 144 144 ILE C C 144 177.130 177.130 177.750 -0.620 18521 15387 1 16 . 1 1 144 144 ILE CA C 144 60.697 60.697 66.583 -5.886 18521 15388 1 16 . 1 1 144 144 ILE CB C 144 38.565 38.565 37.608 0.956 18521 15389 1 16 . 1 1 144 144 ILE H H 144 7.948 7.948 8.082 -0.134 18521 15390 1 16 . 1 1 145 145 GLU N N 145 120.974 120.974 121.408 -0.434 18521 15391 1 16 . 1 1 145 145 GLU HA H 145 4.049 4.049 4.219 -0.170 18521 15392 1 16 . 1 1 145 145 GLU C C 145 179.664 179.664 178.739 0.925 18521 15393 1 16 . 1 1 145 145 GLU CA C 145 59.673 59.673 59.371 0.302 18521 15394 1 16 . 1 1 145 145 GLU CB C 145 29.521 29.521 29.665 -0.144 18521 15395 1 16 . 1 1 145 145 GLU H H 145 7.869 7.869 7.941 -0.072 18521 15396 1 16 . 1 1 146 146 GLN N N 146 118.520 118.520 120.601 -2.081 18521 15397 1 16 . 1 1 146 146 GLN HA H 146 4.034 4.034 4.016 0.018 18521 15398 1 16 . 1 1 146 146 GLN C C 146 178.820 178.820 177.430 1.390 18521 15399 1 16 . 1 1 146 146 GLN CA C 146 58.720 58.720 59.636 -0.916 18521 15400 1 16 . 1 1 146 146 GLN CB C 146 29.312 29.312 28.367 0.945 18521 15401 1 16 . 1 1 146 146 GLN H H 146 8.407 8.407 7.477 0.930 18521 15402 1 16 . 1 1 147 147 GLY N N 147 108.998 108.998 109.742 -0.744 18521 15403 1 16 . 1 1 147 147 GLY HA H 147 3.471 3.471 3.786 -0.315 18521 15404 1 16 . 1 1 147 147 GLY C C 147 175.794 175.794 176.507 -0.713 18521 15405 1 16 . 1 1 147 147 GLY CA C 147 47.525 47.525 48.117 -0.591 18521 15406 1 16 . 1 1 147 147 GLY CB C 147 41.801 41.801 41.477 0.324 18521 15407 1 16 . 1 1 147 147 GLY H H 147 8.059 8.059 7.557 0.502 18521 15408 1 16 . 1 1 148 148 ASP N N 148 124.022 124.022 118.743 5.279 18521 15409 1 16 . 1 1 148 148 ASP HA H 148 4.342 4.342 4.142 0.200 18521 15410 1 16 . 1 1 148 148 ASP C C 148 175.607 175.607 178.513 -2.906 18521 15411 1 16 . 1 1 148 148 ASP CA C 148 57.252 57.252 57.447 -0.195 18521 15412 1 16 . 1 1 148 148 ASP CB C 148 39.918 39.918 40.372 -0.454 18521 15413 1 16 . 1 1 148 148 ASP H H 148 8.522 8.522 8.467 0.055 18521 15414 1 16 . 1 1 149 149 GLU N N 149 121.333 121.333 119.943 1.390 18521 15415 1 16 . 1 1 149 149 GLU HA H 149 4.008 4.008 3.959 0.049 18521 15416 1 16 . 1 1 149 149 GLU C C 149 175.652 175.652 178.723 -3.071 18521 15417 1 16 . 1 1 149 149 GLU CA C 149 59.394 59.394 59.647 -0.253 18521 15418 1 16 . 1 1 149 149 GLU CB C 149 32.048 32.048 32.233 -0.185 18521 15419 1 16 . 1 1 149 149 GLU H H 149 7.768 7.768 8.018 -0.250 18521 15420 1 16 . 1 1 150 150 LEU N N 150 120.820 120.820 119.329 1.491 18521 15421 1 16 . 1 1 150 150 LEU HA H 150 3.718 3.718 4.067 -0.349 18521 15422 1 16 . 1 1 150 150 LEU C C 150 179.476 179.476 179.584 -0.108 18521 15423 1 16 . 1 1 150 150 LEU CA C 150 57.656 57.656 57.869 -0.213 18521 15424 1 16 . 1 1 150 150 LEU CB C 150 28.936 28.936 29.644 -0.708 18521 15425 1 16 . 1 1 150 150 LEU H H 150 8.113 8.113 7.259 0.854 18521 15426 1 16 . 1 1 151 151 GLN N N 151 118.698 118.698 119.249 -0.551 18521 15427 1 16 . 1 1 151 151 GLN HA H 151 3.990 3.990 3.565 0.425 18521 15428 1 16 . 1 1 151 151 GLN C C 151 178.418 178.418 177.347 1.071 18521 15429 1 16 . 1 1 151 151 GLN CA C 151 58.570 58.570 59.904 -1.334 18521 15430 1 16 . 1 1 151 151 GLN CB C 151 38.409 38.409 37.441 0.968 18521 15431 1 16 . 1 1 151 151 GLN H H 151 8.282 8.282 7.606 0.676 18521 15432 1 16 . 1 1 152 152 GLU N N 152 120.750 120.750 120.201 0.549 18521 15433 1 16 . 1 1 152 152 GLU HA H 152 4.035 4.035 3.976 0.059 18521 15434 1 16 . 1 1 152 152 GLU C C 152 178.916 178.916 178.882 0.034 18521 15435 1 16 . 1 1 152 152 GLU CA C 152 59.223 59.223 59.362 -0.139 18521 15436 1 16 . 1 1 152 152 GLU CB C 152 29.322 29.322 29.230 0.092 18521 15437 1 16 . 1 1 152 152 GLU H H 152 7.499 7.499 8.327 -0.828 18521 15438 1 16 . 1 1 153 153 VAL N N 153 120.317 120.317 120.769 -0.452 18521 15439 1 16 . 1 1 153 153 VAL HA H 153 3.695 3.695 3.803 -0.108 18521 15440 1 16 . 1 1 153 153 VAL C C 153 178.846 178.846 178.362 0.484 18521 15441 1 16 . 1 1 153 153 VAL CA C 153 65.832 65.832 66.157 -0.325 18521 15442 1 16 . 1 1 153 153 VAL CB C 153 31.921 31.921 31.837 0.084 18521 15443 1 16 . 1 1 153 153 VAL H H 153 7.763 7.763 8.602 -0.839 18521 15444 1 16 . 1 1 154 154 LEU N N 154 121.374 121.374 119.773 1.601 18521 15445 1 16 . 1 1 154 154 LEU HA H 154 3.917 3.917 3.938 -0.021 18521 15446 1 16 . 1 1 154 154 LEU C C 154 178.836 178.836 178.691 0.145 18521 15447 1 16 . 1 1 154 154 LEU CA C 154 57.439 57.439 60.224 -2.785 18521 15448 1 16 . 1 1 154 154 LEU CB C 154 41.797 41.797 41.431 0.366 18521 15449 1 16 . 1 1 154 154 LEU H H 154 7.731 7.731 8.133 -0.402 18521 15450 1 16 . 1 1 155 155 ALA N N 155 121.695 121.695 123.766 -2.071 18521 15451 1 16 . 1 1 155 155 ALA HA H 155 4.145 4.145 3.817 0.328 18521 15452 1 16 . 1 1 155 155 ALA C C 155 179.502 179.502 179.933 -0.431 18521 15453 1 16 . 1 1 155 155 ALA CA C 155 54.175 54.175 55.468 -1.293 18521 15454 1 16 . 1 1 155 155 ALA CB C 155 18.499 18.499 18.710 -0.211 18521 15455 1 16 . 1 1 155 155 ALA H H 155 7.896 7.896 8.005 -0.109 18521 15456 1 16 . 1 1 156 156 MET N N 156 117.652 117.652 118.785 -1.133 18521 15457 1 16 . 1 1 156 156 MET HA H 156 4.228 4.228 3.906 0.322 18521 15458 1 16 . 1 1 156 156 MET C C 156 177.366 177.366 178.212 -0.846 18521 15459 1 16 . 1 1 156 156 MET CA C 156 57.306 57.306 59.319 -2.013 18521 15460 1 16 . 1 1 156 156 MET CB C 156 32.373 32.373 32.559 -0.186 18521 15461 1 16 . 1 1 156 156 MET H H 156 7.778 7.778 8.313 -0.535 18521 15462 1 16 . 1 1 157 157 ASN N N 157 117.853 117.853 117.516 0.337 18521 15463 1 16 . 1 1 157 157 ASN HA H 157 4.588 4.588 4.208 0.380 18521 15464 1 16 . 1 1 157 157 ASN C C 157 175.211 175.211 177.564 -2.353 18521 15465 1 16 . 1 1 157 157 ASN CA C 157 54.068 54.068 57.435 -3.367 18521 15466 1 16 . 1 1 157 157 ASN CB C 157 39.125 39.125 38.239 0.886 18521 15467 1 16 . 1 1 157 157 ASN H H 157 8.009 8.009 8.310 -0.301 18521 15468 1 16 . 1 1 158 158 ASN N N 158 117.684 117.684 117.456 0.228 18521 15469 1 16 . 1 1 158 158 ASN HA H 158 4.612 4.612 4.328 0.284 18521 15470 1 16 . 1 1 158 158 ASN C C 158 174.669 174.669 177.132 -2.463 18521 15471 1 16 . 1 1 158 158 ASN CA C 158 53.554 53.554 56.076 -2.522 18521 15472 1 16 . 1 1 158 158 ASN CB C 158 39.343 39.343 37.676 1.667 18521 15473 1 16 . 1 1 158 158 ASN H H 158 7.951 7.951 8.952 -1.001 18521 15474 1 16 . 1 1 159 159 ASN N N 159 119.399 119.399 117.096 2.303 18521 15475 1 16 . 1 1 159 159 ASN HA H 159 4.583 4.583 4.455 0.128 18521 15476 1 16 . 1 1 159 159 ASN C C 159 175.563 175.563 177.685 -2.122 18521 15477 1 16 . 1 1 159 159 ASN CA C 159 53.901 53.901 56.219 -2.318 18521 15478 1 16 . 1 1 159 159 ASN CB C 159 38.425 38.425 38.017 0.408 18521 15479 1 16 . 1 1 159 159 ASN H H 159 8.319 8.319 7.670 0.649 18521 15480 1 16 . 1 1 160 160 SER N N 160 115.453 115.453 117.248 -1.795 18521 15481 1 16 . 1 1 160 160 SER HA H 160 4.324 4.324 4.060 0.264 18521 15482 1 16 . 1 1 160 160 SER C C 160 174.952 174.952 177.017 -2.065 18521 15483 1 16 . 1 1 160 160 SER CA C 160 58.851 58.851 61.330 -2.479 18521 15484 1 16 . 1 1 160 160 SER CB C 160 63.704 63.704 62.909 0.795 18521 15485 1 16 . 1 1 160 160 SER H H 160 8.297 8.297 7.468 0.829 18521 15486 1 16 . 1 1 161 161 GLY N N 161 110.851 110.851 106.583 4.268 18521 15487 1 16 . 1 1 161 161 GLY HA H 161 4.146 4.146 4.055 0.091 18521 15488 1 16 . 1 1 161 161 GLY C C 161 173.974 173.974 177.718 -3.744 18521 15489 1 16 . 1 1 161 161 GLY CA C 161 45.348 45.348 48.139 -2.791 18521 15490 1 16 . 1 1 161 161 GLY CB C 161 42.245 42.245 41.756 0.489 18521 15491 1 16 . 1 1 161 161 GLY H H 161 8.328 8.328 8.418 -0.090 18521 15492 1 16 . 1 1 162 162 GLU N N 162 120.859 120.859 118.849 2.010 18521 15493 1 16 . 1 1 162 162 GLU HA H 162 4.211 4.211 4.229 -0.018 18521 15494 1 16 . 1 1 162 162 GLU C C 162 177.522 177.522 177.342 0.180 18521 15495 1 16 . 1 1 162 162 GLU CA C 162 56.065 56.065 59.004 -2.939 18521 15496 1 16 . 1 1 162 162 GLU CB C 162 29.852 29.852 29.102 0.750 18521 15497 1 16 . 1 1 162 162 GLU H H 162 8.244 8.244 7.847 0.397 18521 15498 1 16 . 1 1 163 163 LEU N N 163 124.226 124.226 118.114 6.112 18521 15499 1 16 . 1 1 163 163 LEU HA H 163 3.889 3.889 4.311 -0.422 18521 15500 1 16 . 1 1 163 163 LEU C C 163 178.043 178.043 176.733 1.310 18521 15501 1 16 . 1 1 163 163 LEU CA C 163 57.163 57.163 54.337 2.826 18521 15502 1 16 . 1 1 163 163 LEU CB C 163 41.840 41.840 41.893 -0.053 18521 15503 1 16 . 1 1 163 163 LEU H H 163 8.337 8.337 7.564 0.773 18521 15504 1 16 . 1 1 164 164 ASP N N 164 116.994 116.994 119.321 -2.327 18521 15505 1 16 . 1 1 164 164 ASP HA H 164 4.327 4.327 4.256 0.071 18521 15506 1 16 . 1 1 164 164 ASP C C 164 176.423 176.423 176.866 -0.443 18521 15507 1 16 . 1 1 164 164 ASP CA C 164 55.427 55.427 54.828 0.599 18521 15508 1 16 . 1 1 164 164 ASP H H 164 8.188 8.188 7.661 0.527 18521 15509 1 16 . 1 1 165 165 ASP N N 165 118.967 118.967 119.115 -0.148 18521 15510 1 16 . 1 1 165 165 ASP HA H 165 4.443 4.443 4.463 -0.020 18521 15511 1 16 . 1 1 165 165 ASP C C 165 175.654 175.654 176.287 -0.633 18521 15512 1 16 . 1 1 165 165 ASP CA C 165 54.707 54.707 55.081 -0.374 18521 15513 1 16 . 1 1 165 165 ASP CB C 165 40.973 40.973 41.245 -0.272 18521 15514 1 16 . 1 1 165 165 ASP H H 165 7.701 7.701 7.965 -0.264 18521 15515 1 16 . 1 1 166 166 ILE N N 166 122.002 122.002 119.739 2.263 18521 15516 1 16 . 1 1 166 166 ILE HA H 166 4.049 4.049 4.020 0.029 18521 15517 1 16 . 1 1 166 166 ILE C C 166 175.180 175.180 175.172 0.008 18521 15518 1 16 . 1 1 166 166 ILE CA C 166 60.396 60.396 59.838 0.558 18521 15519 1 16 . 1 1 166 166 ILE CB C 166 39.185 39.185 37.636 1.550 18521 15520 1 16 . 1 1 166 166 ILE H H 166 7.388 7.388 7.219 0.169 18521 15521 1 17 . 1 1 2 2 ALA N N 2 122.445 122.445 123.102 -0.657 18521 15522 1 17 . 1 1 2 2 ALA HA H 2 4.045 4.045 4.176 -0.131 18521 15523 1 17 . 1 1 2 2 ALA C C 2 179.992 179.992 179.391 0.601 18521 15524 1 17 . 1 1 2 2 ALA CA C 2 55.140 55.140 55.035 0.105 18521 15525 1 17 . 1 1 2 2 ALA CB C 2 18.482 18.482 18.308 0.174 18521 15526 1 17 . 1 1 2 2 ALA H H 2 8.545 8.545 8.440 0.105 18521 15527 1 17 . 1 1 3 3 SER N N 3 115.544 115.544 113.127 2.417 18521 15528 1 17 . 1 1 3 3 SER HA H 3 4.030 4.030 4.186 -0.156 18521 15529 1 17 . 1 1 3 3 SER C C 3 176.584 176.584 176.514 0.070 18521 15530 1 17 . 1 1 3 3 SER CA C 3 60.748 60.748 60.913 -0.165 18521 15531 1 17 . 1 1 3 3 SER CB C 3 62.416 62.416 62.540 -0.124 18521 15532 1 17 . 1 1 3 3 SER H H 3 8.009 8.009 8.400 -0.391 18521 15533 1 17 . 1 1 4 4 ASN N N 4 123.103 123.103 119.465 3.638 18521 15534 1 17 . 1 1 4 4 ASN HA H 4 4.318 4.318 4.393 -0.075 18521 15535 1 17 . 1 1 4 4 ASN C C 4 176.215 176.215 177.033 -0.818 18521 15536 1 17 . 1 1 4 4 ASN CA C 4 55.580 55.580 56.349 -0.769 18521 15537 1 17 . 1 1 4 4 ASN CB C 4 38.154 38.154 38.125 0.029 18521 15538 1 17 . 1 1 4 4 ASN H H 4 7.965 7.965 7.714 0.251 18521 15539 1 17 . 1 1 5 5 ALA N N 5 122.314 122.314 122.246 0.068 18521 15540 1 17 . 1 1 5 5 ALA HA H 5 3.560 3.560 3.848 -0.288 18521 15541 1 17 . 1 1 5 5 ALA C C 5 178.543 178.543 178.928 -0.385 18521 15542 1 17 . 1 1 5 5 ALA CA C 5 55.774 55.774 55.206 0.567 18521 15543 1 17 . 1 1 5 5 ALA CB C 5 17.638 17.638 18.176 -0.538 18521 15544 1 17 . 1 1 5 5 ALA H H 5 8.721 8.721 7.512 1.209 18521 15545 1 17 . 1 1 6 6 ALA N N 6 117.886 117.886 121.515 -3.629 18521 15546 1 17 . 1 1 6 6 ALA HA H 6 3.784 3.784 4.017 -0.233 18521 15547 1 17 . 1 1 6 6 ALA C C 6 180.378 180.378 179.570 0.808 18521 15548 1 17 . 1 1 6 6 ALA CA C 6 55.240 55.240 54.962 0.278 18521 15549 1 17 . 1 1 6 6 ALA CB C 6 17.890 17.890 17.965 -0.075 18521 15550 1 17 . 1 1 6 6 ALA H H 6 7.891 7.891 7.385 0.506 18521 15551 1 17 . 1 1 7 7 ARG N N 7 120.992 120.992 119.288 1.704 18521 15552 1 17 . 1 1 7 7 ARG HA H 7 3.770 3.770 4.036 -0.266 18521 15553 1 17 . 1 1 7 7 ARG C C 7 179.531 179.531 178.549 0.982 18521 15554 1 17 . 1 1 7 7 ARG CA C 7 59.249 59.249 59.438 -0.189 18521 15555 1 17 . 1 1 7 7 ARG CB C 7 29.546 29.546 30.369 -0.823 18521 15556 1 17 . 1 1 7 7 ARG H H 7 7.503 7.503 7.687 -0.184 18521 15557 1 17 . 1 1 8 8 VAL N N 8 123.707 123.707 119.311 4.396 18521 15558 1 17 . 1 1 8 8 VAL HA H 8 3.285 3.285 3.833 -0.548 18521 15559 1 17 . 1 1 8 8 VAL C C 8 177.740 177.740 178.339 -0.599 18521 15560 1 17 . 1 1 8 8 VAL CA C 8 67.839 67.839 65.952 1.887 18521 15561 1 17 . 1 1 8 8 VAL CB C 8 31.516 31.516 31.108 0.408 18521 15562 1 17 . 1 1 8 8 VAL H H 8 8.176 8.176 7.875 0.301 18521 15563 1 17 . 1 1 9 9 VAL N N 9 119.893 119.893 120.553 -0.660 18521 15564 1 17 . 1 1 9 9 VAL HA H 9 3.286 3.286 3.494 -0.208 18521 15565 1 17 . 1 1 9 9 VAL C C 9 177.535 177.535 177.915 -0.380 18521 15566 1 17 . 1 1 9 9 VAL CA C 9 67.549 67.549 67.456 0.094 18521 15567 1 17 . 1 1 9 9 VAL CB C 9 31.683 31.683 31.294 0.389 18521 15568 1 17 . 1 1 9 9 VAL H H 9 8.329 8.329 7.728 0.601 18521 15569 1 17 . 1 1 10 10 ALA N N 10 122.541 122.541 121.314 1.227 18521 15570 1 17 . 1 1 10 10 ALA HA H 10 3.971 3.971 4.067 -0.096 18521 15571 1 17 . 1 1 10 10 ALA C C 10 177.093 177.093 179.745 -2.652 18521 15572 1 17 . 1 1 10 10 ALA CA C 10 55.448 55.448 55.524 -0.076 18521 15573 1 17 . 1 1 10 10 ALA CB C 10 17.791 17.791 18.295 -0.504 18521 15574 1 17 . 1 1 10 10 ALA H H 10 7.802 7.802 8.245 -0.443 18521 15575 1 17 . 1 1 11 11 THR N N 11 116.946 116.946 115.260 1.686 18521 15576 1 17 . 1 1 11 11 THR HA H 11 3.821 3.821 3.990 -0.169 18521 15577 1 17 . 1 1 11 11 THR C C 11 175.702 175.702 176.663 -0.961 18521 15578 1 17 . 1 1 11 11 THR CA C 11 66.531 66.531 66.546 -0.015 18521 15579 1 17 . 1 1 11 11 THR CB C 11 68.493 68.493 68.644 -0.151 18521 15580 1 17 . 1 1 11 11 THR H H 11 8.187 8.187 8.576 -0.389 18521 15581 1 17 . 1 1 12 12 ALA N N 12 125.357 125.357 124.114 1.243 18521 15582 1 17 . 1 1 12 12 ALA HA H 12 4.003 4.003 4.114 -0.111 18521 15583 1 17 . 1 1 12 12 ALA C C 12 179.401 179.401 179.389 0.012 18521 15584 1 17 . 1 1 12 12 ALA CA C 12 56.083 56.083 55.312 0.771 18521 15585 1 17 . 1 1 12 12 ALA CB C 12 18.855 18.855 18.219 0.636 18521 15586 1 17 . 1 1 12 12 ALA H H 12 8.641 8.641 8.425 0.216 18521 15587 1 17 . 1 1 13 13 LYS N N 13 117.246 117.246 117.071 0.175 18521 15588 1 17 . 1 1 13 13 LYS HA H 13 3.964 3.964 4.092 -0.128 18521 15589 1 17 . 1 1 13 13 LYS C C 13 180.132 180.132 178.339 1.793 18521 15590 1 17 . 1 1 13 13 LYS CA C 13 58.991 58.991 59.201 -0.210 18521 15591 1 17 . 1 1 13 13 LYS CB C 13 32.014 32.014 32.058 -0.044 18521 15592 1 17 . 1 1 13 13 LYS H H 13 7.961 7.961 7.686 0.275 18521 15593 1 17 . 1 1 14 14 ASP N N 14 122.162 122.162 119.603 2.559 18521 15594 1 17 . 1 1 14 14 ASP HA H 14 4.355 4.355 4.403 -0.048 18521 15595 1 17 . 1 1 14 14 ASP C C 14 179.394 179.394 178.283 1.111 18521 15596 1 17 . 1 1 14 14 ASP CA C 14 57.524 57.524 56.863 0.661 18521 15597 1 17 . 1 1 14 14 ASP CB C 14 39.984 39.984 40.420 -0.436 18521 15598 1 17 . 1 1 14 14 ASP H H 14 7.702 7.702 7.725 -0.023 18521 15599 1 17 . 1 1 15 15 PHE N N 15 119.552 119.552 118.154 1.398 18521 15600 1 17 . 1 1 15 15 PHE HA H 15 4.307 4.307 4.203 0.104 18521 15601 1 17 . 1 1 15 15 PHE C C 15 178.383 178.383 177.820 0.563 18521 15602 1 17 . 1 1 15 15 PHE CA C 15 62.313 62.313 61.541 0.772 18521 15603 1 17 . 1 1 15 15 PHE CB C 15 37.340 37.340 38.866 -1.526 18521 15604 1 17 . 1 1 15 15 PHE H H 15 7.970 7.970 7.623 0.347 18521 15605 1 17 . 1 1 16 16 ASP N N 16 121.464 121.464 119.633 1.831 18521 15606 1 17 . 1 1 16 16 ASP HA H 16 4.016 4.016 4.451 -0.435 18521 15607 1 17 . 1 1 16 16 ASP C C 16 179.923 179.923 179.216 0.707 18521 15608 1 17 . 1 1 16 16 ASP CA C 16 58.030 58.030 57.355 0.675 18521 15609 1 17 . 1 1 16 16 ASP CB C 16 41.407 41.407 40.171 1.236 18521 15610 1 17 . 1 1 16 16 ASP H H 16 8.259 8.259 7.816 0.443 18521 15611 1 17 . 1 1 17 17 LYS N N 17 118.806 118.806 120.429 -1.623 18521 15612 1 17 . 1 1 17 17 LYS HA H 17 4.047 4.047 4.127 -0.080 18521 15613 1 17 . 1 1 17 17 LYS C C 17 178.432 178.432 177.779 0.653 18521 15614 1 17 . 1 1 17 17 LYS CA C 17 59.018 59.018 58.998 0.020 18521 15615 1 17 . 1 1 17 17 LYS CB C 17 32.592 32.592 32.673 -0.081 18521 15616 1 17 . 1 1 17 17 LYS H H 17 7.842 7.842 7.702 0.140 18521 15617 1 17 . 1 1 18 18 VAL N N 18 110.416 110.416 117.247 -6.831 18521 15618 1 17 . 1 1 18 18 VAL HA H 18 4.523 4.523 4.068 0.455 18521 15619 1 17 . 1 1 18 18 VAL C C 18 176.089 176.089 175.965 0.124 18521 15620 1 17 . 1 1 18 18 VAL CA C 18 60.797 60.797 62.984 -2.187 18521 15621 1 17 . 1 1 18 18 VAL CB C 18 31.194 31.194 31.985 -0.791 18521 15622 1 17 . 1 1 18 18 VAL H H 18 7.198 7.198 7.336 -0.138 18521 15623 1 17 . 1 1 19 19 GLY N N 19 109.008 109.008 107.932 1.076 18521 15624 1 17 . 1 1 19 19 GLY C C 19 175.070 175.070 174.647 0.423 18521 15625 1 17 . 1 1 19 19 GLY CA C 19 45.842 45.842 45.367 0.475 18521 15626 1 17 . 1 1 19 19 GLY H H 19 7.731 7.731 7.748 -0.017 18521 15627 1 17 . 1 1 20 20 LEU N N 20 125.244 125.244 122.985 2.259 18521 15628 1 17 . 1 1 20 20 LEU HA H 20 4.938 4.938 4.623 0.315 18521 15629 1 17 . 1 1 20 20 LEU C C 20 177.890 177.890 176.930 0.960 18521 15630 1 17 . 1 1 20 20 LEU CA C 20 52.674 52.674 53.129 -0.455 18521 15631 1 17 . 1 1 20 20 LEU CB C 20 40.239 40.239 39.986 0.253 18521 15632 1 17 . 1 1 20 20 LEU H H 20 8.102 8.102 8.326 -0.224 18521 15633 1 17 . 1 1 21 21 GLY N N 21 108.031 108.031 109.682 -1.651 18521 15634 1 17 . 1 1 21 21 GLY C C 21 176.174 176.174 175.897 0.277 18521 15635 1 17 . 1 1 21 21 GLY CA C 21 47.352 47.352 47.438 -0.086 18521 15636 1 17 . 1 1 21 21 GLY H H 21 8.046 8.046 7.963 0.083 18521 15637 1 17 . 1 1 22 22 ILE N N 22 121.173 121.173 121.971 -0.798 18521 15638 1 17 . 1 1 22 22 ILE HA H 22 3.944 3.944 3.755 0.189 18521 15639 1 17 . 1 1 22 22 ILE C C 22 176.119 176.119 177.597 -1.478 18521 15640 1 17 . 1 1 22 22 ILE CA C 22 61.179 61.179 64.686 -3.507 18521 15641 1 17 . 1 1 22 22 ILE CB C 22 35.934 35.934 37.955 -2.021 18521 15642 1 17 . 1 1 22 22 ILE H H 22 8.395 8.395 8.038 0.357 18521 15643 1 17 . 1 1 23 23 ILE N N 23 120.647 120.647 120.228 0.419 18521 15644 1 17 . 1 1 23 23 ILE HA H 23 3.713 3.713 3.788 -0.075 18521 15645 1 17 . 1 1 23 23 ILE C C 23 178.458 178.458 178.527 -0.069 18521 15646 1 17 . 1 1 23 23 ILE CA C 23 64.266 64.266 62.156 2.110 18521 15647 1 17 . 1 1 23 23 ILE CB C 23 36.272 36.272 36.082 0.190 18521 15648 1 17 . 1 1 23 23 ILE H H 23 6.824 6.824 7.474 -0.650 18521 15649 1 17 . 1 1 24 24 GLY N N 24 103.326 103.326 107.861 -4.535 18521 15650 1 17 . 1 1 24 24 GLY C C 24 174.914 174.914 175.636 -0.722 18521 15651 1 17 . 1 1 24 24 GLY CA C 24 47.998 47.998 47.083 0.915 18521 15652 1 17 . 1 1 24 24 GLY H H 24 7.412 7.412 7.763 -0.351 18521 15653 1 17 . 1 1 25 25 TYR N N 25 124.188 124.188 124.042 0.146 18521 15654 1 17 . 1 1 25 25 TYR HA H 25 3.734 3.734 3.732 0.002 18521 15655 1 17 . 1 1 25 25 TYR C C 25 176.055 176.055 177.151 -1.096 18521 15656 1 17 . 1 1 25 25 TYR CA C 25 60.962 60.962 60.606 0.356 18521 15657 1 17 . 1 1 25 25 TYR CB C 25 37.888 37.888 37.613 0.275 18521 15658 1 17 . 1 1 25 25 TYR H H 25 7.861 7.861 8.161 -0.300 18521 15659 1 17 . 1 1 26 26 TYR N N 26 117.390 117.390 117.271 0.119 18521 15660 1 17 . 1 1 26 26 TYR HA H 26 3.881 3.881 3.878 0.003 18521 15661 1 17 . 1 1 26 26 TYR C C 26 178.653 178.653 177.938 0.715 18521 15662 1 17 . 1 1 26 26 TYR CA C 26 64.270 64.270 62.356 1.913 18521 15663 1 17 . 1 1 26 26 TYR CB C 26 37.453 37.453 38.135 -0.682 18521 15664 1 17 . 1 1 26 26 TYR H H 26 7.594 7.594 7.529 0.065 18521 15665 1 17 . 1 1 27 27 LEU N N 27 118.536 118.536 119.473 -0.937 18521 15666 1 17 . 1 1 27 27 LEU HA H 27 4.277 4.277 3.768 0.509 18521 15667 1 17 . 1 1 27 27 LEU C C 27 179.025 179.025 178.938 0.087 18521 15668 1 17 . 1 1 27 27 LEU CA C 27 58.382 58.382 58.194 0.188 18521 15669 1 17 . 1 1 27 27 LEU CB C 27 42.595 42.595 41.060 1.534 18521 15670 1 17 . 1 1 27 27 LEU H H 27 8.226 8.226 7.843 0.383 18521 15671 1 17 . 1 1 28 28 GLN N N 28 119.110 119.110 117.820 1.290 18521 15672 1 17 . 1 1 28 28 GLN HA H 28 3.665 3.665 3.823 -0.158 18521 15673 1 17 . 1 1 28 28 GLN C C 28 177.406 177.406 178.353 -0.947 18521 15674 1 17 . 1 1 28 28 GLN CA C 28 60.626 60.626 58.930 1.696 18521 15675 1 17 . 1 1 28 28 GLN CB C 28 28.959 28.959 28.543 0.416 18521 15676 1 17 . 1 1 28 28 GLN H H 28 8.007 8.007 8.153 -0.146 18521 15677 1 17 . 1 1 29 29 LEU N N 29 121.623 121.623 120.830 0.793 18521 15678 1 17 . 1 1 29 29 LEU HA H 29 3.718 3.718 3.840 -0.122 18521 15679 1 17 . 1 1 29 29 LEU C C 29 179.706 179.706 178.063 1.643 18521 15680 1 17 . 1 1 29 29 LEU CA C 29 58.382 58.382 57.487 0.895 18521 15681 1 17 . 1 1 29 29 LEU CB C 29 42.114 42.114 41.421 0.693 18521 15682 1 17 . 1 1 29 29 LEU H H 29 7.938 7.938 7.222 0.716 18521 15683 1 17 . 1 1 30 30 TYR N N 30 120.084 120.084 120.295 -0.211 18521 15684 1 17 . 1 1 30 30 TYR HA H 30 4.132 4.132 3.850 0.282 18521 15685 1 17 . 1 1 30 30 TYR C C 30 175.611 175.611 176.950 -1.339 18521 15686 1 17 . 1 1 30 30 TYR CA C 30 58.951 58.951 60.077 -1.125 18521 15687 1 17 . 1 1 30 30 TYR CB C 30 39.302 39.302 37.829 1.473 18521 15688 1 17 . 1 1 30 30 TYR H H 30 7.974 7.974 7.969 0.005 18521 15689 1 17 . 1 1 31 31 ALA N N 31 121.802 121.802 121.137 0.665 18521 15690 1 17 . 1 1 31 31 ALA HA H 31 3.343 3.343 3.561 -0.218 18521 15691 1 17 . 1 1 31 31 ALA C C 31 178.911 178.911 179.244 -0.333 18521 15692 1 17 . 1 1 31 31 ALA CA C 31 55.429 55.429 54.827 0.603 18521 15693 1 17 . 1 1 31 31 ALA CB C 31 17.895 17.895 17.824 0.071 18521 15694 1 17 . 1 1 31 31 ALA H H 31 8.504 8.504 7.872 0.632 18521 15695 1 17 . 1 1 32 32 VAL N N 32 116.528 116.528 118.792 -2.264 18521 15696 1 17 . 1 1 32 32 VAL HA H 32 3.249 3.249 3.431 -0.182 18521 15697 1 17 . 1 1 32 32 VAL C C 32 176.963 176.963 177.946 -0.983 18521 15698 1 17 . 1 1 32 32 VAL CA C 32 67.723 67.723 67.160 0.563 18521 15699 1 17 . 1 1 32 32 VAL CB C 32 31.403 31.403 31.313 0.090 18521 15700 1 17 . 1 1 32 32 VAL H H 32 8.027 8.027 7.661 0.366 18521 15701 1 17 . 1 1 33 33 GLU N N 33 118.609 118.609 118.923 -0.314 18521 15702 1 17 . 1 1 33 33 GLU HA H 33 3.804 3.804 4.016 -0.212 18521 15703 1 17 . 1 1 33 33 GLU C C 33 180.234 180.234 179.307 0.927 18521 15704 1 17 . 1 1 33 33 GLU CA C 33 59.446 59.446 59.038 0.408 18521 15705 1 17 . 1 1 33 33 GLU CB C 33 28.711 28.711 29.215 -0.504 18521 15706 1 17 . 1 1 33 33 GLU H H 33 7.299 7.299 7.410 -0.111 18521 15707 1 17 . 1 1 34 34 LEU N N 34 120.831 120.831 120.936 -0.105 18521 15708 1 17 . 1 1 34 34 LEU HA H 34 3.702 3.702 3.948 -0.246 18521 15709 1 17 . 1 1 34 34 LEU C C 34 180.024 180.024 179.227 0.797 18521 15710 1 17 . 1 1 34 34 LEU CA C 34 57.815 57.815 58.136 -0.321 18521 15711 1 17 . 1 1 34 34 LEU CB C 34 42.097 42.097 41.560 0.536 18521 15712 1 17 . 1 1 34 34 LEU H H 34 8.168 8.168 7.090 1.078 18521 15713 1 17 . 1 1 35 35 ILE N N 35 120.733 120.733 118.399 2.334 18521 15714 1 17 . 1 1 35 35 ILE HA H 35 3.589 3.589 3.517 0.072 18521 15715 1 17 . 1 1 35 35 ILE C C 35 178.501 178.501 178.606 -0.105 18521 15716 1 17 . 1 1 35 35 ILE CA C 35 65.363 65.363 65.270 0.092 18521 15717 1 17 . 1 1 35 35 ILE CB C 35 38.960 38.960 37.673 1.287 18521 15718 1 17 . 1 1 35 35 ILE H H 35 8.064 8.064 7.394 0.670 18521 15719 1 17 . 1 1 36 36 LEU N N 36 115.519 115.519 118.994 -3.475 18521 15720 1 17 . 1 1 36 36 LEU HA H 36 3.958 3.958 4.053 -0.095 18521 15721 1 17 . 1 1 36 36 LEU C C 36 178.244 178.244 178.150 0.094 18521 15722 1 17 . 1 1 36 36 LEU CA C 36 56.069 56.069 57.276 -1.207 18521 15723 1 17 . 1 1 36 36 LEU CB C 36 40.528 40.528 41.681 -1.153 18521 15724 1 17 . 1 1 36 36 LEU H H 36 8.370 8.370 7.607 0.763 18521 15725 1 17 . 1 1 37 37 SER N N 37 113.976 113.976 111.065 2.911 18521 15726 1 17 . 1 1 37 37 SER HA H 37 4.197 4.197 4.258 -0.061 18521 15727 1 17 . 1 1 37 37 SER C C 37 173.934 173.934 175.195 -1.261 18521 15728 1 17 . 1 1 37 37 SER CA C 37 60.204 60.204 59.307 0.897 18521 15729 1 17 . 1 1 37 37 SER CB C 37 63.507 63.507 63.531 -0.024 18521 15730 1 17 . 1 1 37 37 SER H H 37 7.523 7.523 7.822 -0.299 18521 15731 1 17 . 1 1 38 38 GLU N N 38 123.219 123.219 122.397 0.822 18521 15732 1 17 . 1 1 38 38 GLU HA H 38 4.426 4.426 4.274 0.152 18521 15733 1 17 . 1 1 38 38 GLU C C 38 175.767 175.767 176.971 -1.204 18521 15734 1 17 . 1 1 38 38 GLU CA C 38 55.046 55.046 56.427 -1.381 18521 15735 1 17 . 1 1 38 38 GLU CB C 38 30.395 30.395 29.849 0.546 18521 15736 1 17 . 1 1 38 38 GLU H H 38 7.185 7.185 7.454 -0.269 18521 15737 1 17 . 1 1 39 39 GLU N N 39 126.955 126.955 123.070 3.885 18521 15738 1 17 . 1 1 39 39 GLU HA H 39 3.985 3.985 4.124 -0.139 18521 15739 1 17 . 1 1 39 39 GLU C C 39 176.861 176.861 176.531 0.330 18521 15740 1 17 . 1 1 39 39 GLU CA C 39 58.331 58.331 58.326 0.005 18521 15741 1 17 . 1 1 39 39 GLU CB C 39 30.008 30.008 30.090 -0.082 18521 15742 1 17 . 1 1 39 39 GLU H H 39 8.632 8.632 8.700 -0.068 18521 15743 1 17 . 1 1 40 40 ASP N N 40 119.763 119.763 118.741 1.022 18521 15744 1 17 . 1 1 40 40 ASP HA H 40 4.616 4.616 4.851 -0.235 18521 15745 1 17 . 1 1 40 40 ASP C C 40 174.989 174.989 175.165 -0.176 18521 15746 1 17 . 1 1 40 40 ASP CA C 40 53.281 53.281 53.890 -0.609 18521 15747 1 17 . 1 1 40 40 ASP CB C 40 39.814 39.814 41.541 -1.727 18521 15748 1 17 . 1 1 40 40 ASP H H 40 8.560 8.560 8.311 0.249 18521 15749 1 17 . 1 1 41 41 ARG N N 41 119.595 119.595 121.868 -2.273 18521 15750 1 17 . 1 1 41 41 ARG HA H 41 4.390 4.390 4.560 -0.170 18521 15751 1 17 . 1 1 41 41 ARG C C 41 175.553 175.553 174.646 0.907 18521 15752 1 17 . 1 1 41 41 ARG CA C 41 54.707 54.707 55.374 -0.667 18521 15753 1 17 . 1 1 41 41 ARG CB C 41 31.865 31.865 33.241 -1.376 18521 15754 1 17 . 1 1 41 41 ARG H H 41 7.443 7.443 8.498 -1.055 18521 15755 1 17 . 1 1 42 42 SER N N 42 119.463 119.463 118.235 1.228 18521 15756 1 17 . 1 1 42 42 SER HA H 42 4.381 4.381 4.775 -0.394 18521 15757 1 17 . 1 1 42 42 SER C C 42 175.361 175.361 175.035 0.326 18521 15758 1 17 . 1 1 42 42 SER CA C 42 57.137 57.137 56.138 0.999 18521 15759 1 17 . 1 1 42 42 SER CB C 42 65.166 65.166 65.087 0.079 18521 15760 1 17 . 1 1 42 42 SER H H 42 8.556 8.556 8.381 0.175 18521 15761 1 17 . 1 1 43 43 GLN N N 43 122.535 122.535 122.594 -0.059 18521 15762 1 17 . 1 1 43 43 GLN HA H 43 4.018 4.018 3.982 0.036 18521 15763 1 17 . 1 1 43 43 GLN C C 43 178.768 178.768 178.354 0.414 18521 15764 1 17 . 1 1 43 43 GLN CA C 43 59.073 59.073 59.527 -0.454 18521 15765 1 17 . 1 1 43 43 GLN CB C 43 27.871 27.871 28.710 -0.840 18521 15766 1 17 . 1 1 43 43 GLN H H 43 9.087 9.087 8.803 0.284 18521 15767 1 17 . 1 1 44 44 GLU N N 44 120.308 120.308 120.072 0.236 18521 15768 1 17 . 1 1 44 44 GLU HA H 44 3.982 3.982 4.155 -0.173 18521 15769 1 17 . 1 1 44 44 GLU C C 44 179.737 179.737 178.813 0.924 18521 15770 1 17 . 1 1 44 44 GLU CA C 44 60.142 60.142 59.242 0.900 18521 15771 1 17 . 1 1 44 44 GLU CB C 44 28.801 28.801 29.351 -0.550 18521 15772 1 17 . 1 1 44 44 GLU H H 44 8.958 8.958 8.662 0.296 18521 15773 1 17 . 1 1 45 45 MET N N 45 120.968 120.968 117.331 3.637 18521 15774 1 17 . 1 1 45 45 MET HA H 45 4.432 4.432 4.205 0.227 18521 15775 1 17 . 1 1 45 45 MET C C 45 178.153 178.153 178.763 -0.610 18521 15776 1 17 . 1 1 45 45 MET CA C 45 57.117 57.117 58.843 -1.726 18521 15777 1 17 . 1 1 45 45 MET CB C 45 32.517 32.517 32.651 -0.134 18521 15778 1 17 . 1 1 45 45 MET H H 45 7.740 7.740 7.939 -0.199 18521 15779 1 17 . 1 1 46 46 THR N N 46 120.159 120.159 116.322 3.837 18521 15780 1 17 . 1 1 46 46 THR HA H 46 3.620 3.620 3.956 -0.336 18521 15781 1 17 . 1 1 46 46 THR C C 46 176.389 176.389 176.113 0.276 18521 15782 1 17 . 1 1 46 46 THR CA C 46 67.416 67.416 67.037 0.379 18521 15783 1 17 . 1 1 46 46 THR CB C 46 68.208 68.208 68.343 -0.135 18521 15784 1 17 . 1 1 46 46 THR H H 46 8.190 8.190 8.730 -0.540 18521 15785 1 17 . 1 1 47 47 ALA N N 47 124.729 124.729 123.917 0.812 18521 15786 1 17 . 1 1 47 47 ALA HA H 47 4.060 4.060 4.186 -0.126 18521 15787 1 17 . 1 1 47 47 ALA C C 47 179.554 179.554 179.289 0.265 18521 15788 1 17 . 1 1 47 47 ALA CA C 47 55.195 55.195 54.804 0.391 18521 15789 1 17 . 1 1 47 47 ALA CB C 47 17.654 17.654 18.160 -0.506 18521 15790 1 17 . 1 1 47 47 ALA H H 47 8.292 8.292 7.873 0.419 18521 15791 1 17 . 1 1 48 48 LEU N N 48 122.244 122.244 120.776 1.468 18521 15792 1 17 . 1 1 48 48 LEU HA H 48 4.195 4.195 4.061 0.134 18521 15793 1 17 . 1 1 48 48 LEU C C 48 178.022 178.022 178.512 -0.490 18521 15794 1 17 . 1 1 48 48 LEU CA C 48 57.695 57.695 57.527 0.168 18521 15795 1 17 . 1 1 48 48 LEU CB C 48 41.236 41.236 41.661 -0.425 18521 15796 1 17 . 1 1 48 48 LEU H H 48 7.723 7.723 7.752 -0.029 18521 15797 1 17 . 1 1 49 49 ALA N N 49 120.883 120.883 120.345 0.538 18521 15798 1 17 . 1 1 49 49 ALA HA H 49 3.854 3.854 3.900 -0.046 18521 15799 1 17 . 1 1 49 49 ALA C C 49 178.770 178.770 179.441 -0.671 18521 15800 1 17 . 1 1 49 49 ALA CA C 49 55.836 55.836 55.169 0.667 18521 15801 1 17 . 1 1 49 49 ALA CB C 49 17.137 17.137 18.199 -1.062 18521 15802 1 17 . 1 1 49 49 ALA H H 49 8.210 8.210 7.796 0.414 18521 15803 1 17 . 1 1 50 50 THR N N 50 113.676 113.676 115.107 -1.431 18521 15804 1 17 . 1 1 50 50 THR HA H 50 3.765 3.765 3.887 -0.122 18521 15805 1 17 . 1 1 50 50 THR C C 50 175.836 175.836 176.488 -0.652 18521 15806 1 17 . 1 1 50 50 THR CA C 50 66.975 66.975 67.401 -0.426 18521 15807 1 17 . 1 1 50 50 THR CB C 50 68.976 68.976 68.577 0.399 18521 15808 1 17 . 1 1 50 50 THR H H 50 7.891 7.891 7.699 0.192 18521 15809 1 17 . 1 1 51 51 GLU N N 51 123.445 123.445 121.917 1.528 18521 15810 1 17 . 1 1 51 51 GLU HA H 51 4.221 4.221 4.035 0.185 18521 15811 1 17 . 1 1 51 51 GLU C C 51 179.906 179.906 178.983 0.923 18521 15812 1 17 . 1 1 51 51 GLU CA C 51 59.436 59.436 59.420 0.016 18521 15813 1 17 . 1 1 51 51 GLU CB C 51 29.498 29.498 29.477 0.021 18521 15814 1 17 . 1 1 51 51 GLU H H 51 7.877 7.877 7.862 0.015 18521 15815 1 17 . 1 1 52 52 LEU N N 52 121.629 121.629 119.193 2.436 18521 15816 1 17 . 1 1 52 52 LEU HA H 52 3.907 3.907 4.030 -0.123 18521 15817 1 17 . 1 1 52 52 LEU C C 52 178.993 178.993 179.178 -0.185 18521 15818 1 17 . 1 1 52 52 LEU CA C 52 57.840 57.840 57.526 0.314 18521 15819 1 17 . 1 1 52 52 LEU CB C 52 42.076 42.076 41.804 0.272 18521 15820 1 17 . 1 1 52 52 LEU H H 52 8.670 8.670 7.428 1.242 18521 15821 1 17 . 1 1 53 53 LEU N N 53 119.996 119.996 119.768 0.228 18521 15822 1 17 . 1 1 53 53 LEU HA H 53 3.949 3.949 3.788 0.161 18521 15823 1 17 . 1 1 53 53 LEU C C 53 179.950 179.950 178.936 1.014 18521 15824 1 17 . 1 1 53 53 LEU CA C 53 58.480 58.480 58.018 0.462 18521 15825 1 17 . 1 1 53 53 LEU CB C 53 41.341 41.341 41.050 0.291 18521 15826 1 17 . 1 1 53 53 LEU H H 53 8.336 8.336 7.583 0.753 18521 15827 1 17 . 1 1 54 54 ASP N N 54 120.632 120.632 118.556 2.076 18521 15828 1 17 . 1 1 54 54 ASP HA H 54 4.409 4.409 4.389 0.020 18521 15829 1 17 . 1 1 54 54 ASP C C 54 179.383 179.383 178.503 0.880 18521 15830 1 17 . 1 1 54 54 ASP CA C 54 57.510 57.510 57.216 0.294 18521 15831 1 17 . 1 1 54 54 ASP CB C 54 40.275 40.275 40.601 -0.326 18521 15832 1 17 . 1 1 54 54 ASP H H 54 7.884 7.884 7.776 0.108 18521 15833 1 17 . 1 1 55 55 THR N N 55 121.006 121.006 117.242 3.764 18521 15834 1 17 . 1 1 55 55 THR HA H 55 3.923 3.923 4.083 -0.160 18521 15835 1 17 . 1 1 55 55 THR C C 55 177.066 177.066 176.953 0.113 18521 15836 1 17 . 1 1 55 55 THR CA C 55 67.018 67.018 66.880 0.137 18521 15837 1 17 . 1 1 55 55 THR CB C 55 68.725 68.725 68.594 0.131 18521 15838 1 17 . 1 1 55 55 THR H H 55 8.279 8.279 7.481 0.798 18521 15839 1 17 . 1 1 56 56 ILE N N 56 125.465 125.465 122.877 2.588 18521 15840 1 17 . 1 1 56 56 ILE HA H 56 3.748 3.748 3.819 -0.071 18521 15841 1 17 . 1 1 56 56 ILE C C 56 177.879 177.879 178.064 -0.185 18521 15842 1 17 . 1 1 56 56 ILE CA C 56 65.765 65.765 65.821 -0.056 18521 15843 1 17 . 1 1 56 56 ILE CB C 56 38.646 38.646 37.722 0.923 18521 15844 1 17 . 1 1 56 56 ILE H H 56 8.872 8.872 8.454 0.418 18521 15845 1 17 . 1 1 57 57 GLU N N 57 119.951 119.951 119.447 0.504 18521 15846 1 17 . 1 1 57 57 GLU HA H 57 4.034 4.034 3.977 0.057 18521 15847 1 17 . 1 1 57 57 GLU C C 57 179.357 179.357 179.217 0.140 18521 15848 1 17 . 1 1 57 57 GLU CA C 57 59.241 59.241 59.758 -0.517 18521 15849 1 17 . 1 1 57 57 GLU CB C 57 29.226 29.226 29.405 -0.179 18521 15850 1 17 . 1 1 57 57 GLU H H 57 8.024 8.024 8.034 -0.010 18521 15851 1 17 . 1 1 58 58 ALA N N 58 122.402 122.402 122.899 -0.497 18521 15852 1 17 . 1 1 58 58 ALA HA H 58 4.044 4.044 4.153 -0.109 18521 15853 1 17 . 1 1 58 58 ALA C C 58 180.049 180.049 179.637 0.412 18521 15854 1 17 . 1 1 58 58 ALA CA C 58 55.167 55.167 55.040 0.127 18521 15855 1 17 . 1 1 58 58 ALA CB C 58 17.836 17.836 18.396 -0.560 18521 15856 1 17 . 1 1 58 58 ALA H H 58 8.026 8.026 8.269 -0.243 18521 15857 1 17 . 1 1 59 59 PHE N N 59 122.034 122.034 120.512 1.522 18521 15858 1 17 . 1 1 59 59 PHE HA H 59 4.165 4.165 4.225 -0.060 18521 15859 1 17 . 1 1 59 59 PHE C C 59 177.169 177.169 177.267 -0.098 18521 15860 1 17 . 1 1 59 59 PHE CA C 59 61.373 61.373 61.276 0.097 18521 15861 1 17 . 1 1 59 59 PHE CB C 59 39.384 39.384 39.720 -0.336 18521 15862 1 17 . 1 1 59 59 PHE H H 59 8.243 8.243 8.897 -0.654 18521 15863 1 17 . 1 1 60 60 LYS N N 60 117.415 117.415 119.725 -2.310 18521 15864 1 17 . 1 1 60 60 LYS HA H 60 3.490 3.490 3.670 -0.180 18521 15865 1 17 . 1 1 60 60 LYS C C 60 179.705 179.705 178.421 1.284 18521 15866 1 17 . 1 1 60 60 LYS CA C 60 60.051 60.051 59.450 0.601 18521 15867 1 17 . 1 1 60 60 LYS CB C 60 32.376 32.376 32.462 -0.086 18521 15868 1 17 . 1 1 60 60 LYS H H 60 7.978 7.978 8.700 -0.722 18521 15869 1 17 . 1 1 61 61 LYS N N 61 119.540 119.540 118.535 1.005 18521 15870 1 17 . 1 1 61 61 LYS HA H 61 3.942 3.942 3.979 -0.037 18521 15871 1 17 . 1 1 61 61 LYS C C 61 178.728 178.728 178.669 0.059 18521 15872 1 17 . 1 1 61 61 LYS CA C 61 58.878 58.878 59.373 -0.495 18521 15873 1 17 . 1 1 61 61 LYS CB C 61 32.626 32.626 32.306 0.320 18521 15874 1 17 . 1 1 61 61 LYS H H 61 7.853 7.853 8.191 -0.338 18521 15875 1 17 . 1 1 62 62 GLU N N 62 121.166 121.166 117.088 4.078 18521 15876 1 17 . 1 1 62 62 GLU HA H 62 3.933 3.933 4.036 -0.103 18521 15877 1 17 . 1 1 62 62 GLU C C 62 178.405 178.405 177.472 0.933 18521 15878 1 17 . 1 1 62 62 GLU CA C 62 58.655 58.655 58.529 0.126 18521 15879 1 17 . 1 1 62 62 GLU CB C 62 29.439 29.439 29.650 -0.211 18521 15880 1 17 . 1 1 62 62 GLU H H 62 7.956 7.956 7.664 0.292 18521 15881 1 17 . 1 1 63 63 ILE N N 63 117.896 117.896 116.861 1.035 18521 15882 1 17 . 1 1 63 63 ILE HA H 63 3.707 3.707 4.132 -0.425 18521 15883 1 17 . 1 1 63 63 ILE C C 63 177.438 177.438 176.702 0.736 18521 15884 1 17 . 1 1 63 63 ILE CA C 63 61.473 61.473 60.279 1.194 18521 15885 1 17 . 1 1 63 63 ILE CB C 63 36.546 36.546 38.870 -2.324 18521 15886 1 17 . 1 1 63 63 ILE H H 63 7.652 7.652 7.266 0.386 18521 15887 1 17 . 1 1 64 64 GLY N N 64 108.028 108.028 109.291 -1.263 18521 15888 1 17 . 1 1 64 64 GLY C C 64 175.261 175.261 175.205 0.056 18521 15889 1 17 . 1 1 64 64 GLY CA C 64 45.891 45.891 46.623 -0.732 18521 15890 1 17 . 1 1 64 64 GLY H H 64 7.654 7.654 8.141 -0.487 18521 15891 1 17 . 1 1 65 65 GLY N N 65 108.488 108.488 107.399 1.089 18521 15892 1 17 . 1 1 65 65 GLY C C 65 174.844 174.844 175.447 -0.603 18521 15893 1 17 . 1 1 65 65 GLY CA C 65 45.608 45.608 45.181 0.427 18521 15894 1 17 . 1 1 65 65 GLY H H 65 7.817 7.817 8.107 -0.290 18521 15895 1 17 . 1 1 66 66 GLU N N 66 121.078 121.078 118.679 2.399 18521 15896 1 17 . 1 1 66 66 GLU HA H 66 4.167 4.167 4.128 0.039 18521 15897 1 17 . 1 1 66 66 GLU C C 66 177.218 177.218 176.993 0.225 18521 15898 1 17 . 1 1 66 66 GLU CA C 66 57.075 57.075 58.687 -1.612 18521 15899 1 17 . 1 1 66 66 GLU CB C 66 30.015 30.015 29.607 0.408 18521 15900 1 17 . 1 1 66 66 GLU H H 66 8.195 8.195 8.625 -0.430 18521 15901 1 17 . 1 1 67 67 SER N N 67 116.370 116.370 111.116 5.254 18521 15902 1 17 . 1 1 67 67 SER HA H 67 4.187 4.187 4.466 -0.279 18521 15903 1 17 . 1 1 67 67 SER C C 67 174.670 174.670 175.382 -0.712 18521 15904 1 17 . 1 1 67 67 SER CA C 67 58.875 58.875 60.042 -1.167 18521 15905 1 17 . 1 1 67 67 SER CB C 67 63.783 63.783 63.545 0.238 18521 15906 1 17 . 1 1 67 67 SER H H 67 8.205 8.205 8.221 -0.016 18521 15907 1 17 . 1 1 68 68 GLU N N 68 122.388 122.388 121.922 0.466 18521 15908 1 17 . 1 1 68 68 GLU HA H 68 4.173 4.173 4.033 0.140 18521 15909 1 17 . 1 1 68 68 GLU C C 68 176.364 176.364 178.045 -1.681 18521 15910 1 17 . 1 1 68 68 GLU CA C 68 56.734 56.734 58.828 -2.094 18521 15911 1 17 . 1 1 68 68 GLU CB C 68 29.986 29.986 29.189 0.797 18521 15912 1 17 . 1 1 68 68 GLU H H 68 8.170 8.170 8.846 -0.676 18521 15913 1 17 . 1 1 69 69 ALA N N 69 124.265 124.265 120.706 3.559 18521 15914 1 17 . 1 1 69 69 ALA HA H 69 4.212 4.212 4.354 -0.142 18521 15915 1 17 . 1 1 69 69 ALA C C 69 178.042 178.042 178.570 -0.528 18521 15916 1 17 . 1 1 69 69 ALA CA C 69 52.468 52.468 54.581 -2.113 18521 15917 1 17 . 1 1 69 69 ALA CB C 69 19.411 19.411 18.335 1.076 18521 15918 1 17 . 1 1 69 69 ALA H H 69 7.931 7.931 8.014 -0.083 18521 15919 1 17 . 1 1 70 70 GLU N N 70 121.086 121.086 117.416 3.670 18521 15920 1 17 . 1 1 70 70 GLU HA H 70 4.110 4.110 4.003 0.107 18521 15921 1 17 . 1 1 70 70 GLU C C 70 180.047 180.047 178.101 1.946 18521 15922 1 17 . 1 1 70 70 GLU CA C 70 57.325 57.325 58.586 -1.261 18521 15923 1 17 . 1 1 70 70 GLU CB C 70 29.969 29.969 29.500 0.469 18521 15924 1 17 . 1 1 70 70 GLU H H 70 8.447 8.447 7.681 0.766 18521 15925 1 17 . 1 1 71 71 ASP N N 71 120.210 120.210 117.483 2.727 18521 15926 1 17 . 1 1 71 71 ASP HA H 71 4.545 4.545 4.538 0.007 18521 15927 1 17 . 1 1 71 71 ASP C C 71 176.385 176.385 176.390 -0.005 18521 15928 1 17 . 1 1 71 71 ASP CA C 71 54.149 54.149 56.033 -1.884 18521 15929 1 17 . 1 1 71 71 ASP CB C 71 40.756 40.756 41.494 -0.738 18521 15930 1 17 . 1 1 71 71 ASP H H 71 8.308 8.308 7.536 0.772 18521 15931 1 17 . 1 1 72 72 SER N N 72 116.137 116.137 112.988 3.149 18521 15932 1 17 . 1 1 72 72 SER HA H 72 4.259 4.259 4.633 -0.374 18521 15933 1 17 . 1 1 72 72 SER C C 72 174.578 174.578 173.225 1.353 18521 15934 1 17 . 1 1 72 72 SER CA C 72 58.851 58.851 57.837 1.014 18521 15935 1 17 . 1 1 72 72 SER CB C 72 63.870 63.870 63.302 0.568 18521 15936 1 17 . 1 1 72 72 SER H H 72 7.954 7.954 7.660 0.294 18521 15937 1 17 . 1 1 73 73 ASP N N 73 122.500 122.500 124.668 -2.168 18521 15938 1 17 . 1 1 73 73 ASP HA H 73 4.534 4.534 4.718 -0.184 18521 15939 1 17 . 1 1 73 73 ASP C C 73 176.903 176.903 176.052 0.851 18521 15940 1 17 . 1 1 73 73 ASP CA C 73 54.442 54.442 54.495 -0.053 18521 15941 1 17 . 1 1 73 73 ASP CB C 73 41.253 41.253 40.399 0.854 18521 15942 1 17 . 1 1 73 73 ASP H H 73 8.384 8.384 8.755 -0.371 18521 15943 1 17 . 1 1 74 74 LYS N N 74 123.374 123.374 120.917 2.457 18521 15944 1 17 . 1 1 74 74 LYS HA H 74 4.099 4.099 4.309 -0.210 18521 15945 1 17 . 1 1 74 74 LYS C C 74 177.606 177.606 178.172 -0.566 18521 15946 1 17 . 1 1 74 74 LYS CA C 74 57.527 57.527 57.747 -0.220 18521 15947 1 17 . 1 1 74 74 LYS CB C 74 32.115 32.115 33.580 -1.465 18521 15948 1 17 . 1 1 74 74 LYS H H 74 8.338 8.338 7.557 0.781 18521 15949 1 17 . 1 1 75 75 SER N N 75 116.404 116.404 115.846 0.558 18521 15950 1 17 . 1 1 75 75 SER HA H 75 4.190 4.190 4.253 -0.063 18521 15951 1 17 . 1 1 75 75 SER C C 75 176.030 176.030 176.663 -0.633 18521 15952 1 17 . 1 1 75 75 SER CA C 75 60.560 60.560 61.066 -0.506 18521 15953 1 17 . 1 1 75 75 SER CB C 75 62.971 62.971 63.177 -0.206 18521 15954 1 17 . 1 1 75 75 SER H H 75 8.409 8.409 7.975 0.434 18521 15955 1 17 . 1 1 76 76 LEU N N 76 123.753 123.753 123.189 0.564 18521 15956 1 17 . 1 1 76 76 LEU HA H 76 4.121 4.121 3.998 0.123 18521 15957 1 17 . 1 1 76 76 LEU C C 76 178.263 178.263 178.022 0.241 18521 15958 1 17 . 1 1 76 76 LEU CA C 76 56.665 56.665 57.320 -0.655 18521 15959 1 17 . 1 1 76 76 LEU CB C 76 41.538 41.538 41.715 -0.177 18521 15960 1 17 . 1 1 76 76 LEU H H 76 8.068 8.068 7.627 0.441 18521 15961 1 17 . 1 1 77 77 HIS N N 77 120.235 120.235 118.450 1.785 18521 15962 1 17 . 1 1 77 77 HIS HA H 77 4.372 4.372 4.165 0.207 18521 15963 1 17 . 1 1 77 77 HIS C C 77 177.974 177.974 177.149 0.825 18521 15964 1 17 . 1 1 77 77 HIS CA C 77 58.504 58.504 60.214 -1.710 18521 15965 1 17 . 1 1 77 77 HIS CB C 77 30.124 30.124 29.771 0.353 18521 15966 1 17 . 1 1 77 77 HIS H H 77 7.955 7.955 8.068 -0.113 18521 15967 1 17 . 1 1 78 78 VAL N N 78 121.721 121.721 120.651 1.070 18521 15968 1 17 . 1 1 78 78 VAL HA H 78 3.612 3.612 3.845 -0.233 18521 15969 1 17 . 1 1 78 78 VAL C C 78 177.688 177.688 177.829 -0.141 18521 15970 1 17 . 1 1 78 78 VAL CA C 78 65.817 65.817 65.719 0.098 18521 15971 1 17 . 1 1 78 78 VAL CB C 78 31.729 31.729 31.916 -0.188 18521 15972 1 17 . 1 1 78 78 VAL H H 78 7.953 7.953 7.497 0.456 18521 15973 1 17 . 1 1 79 79 MET N N 79 119.138 119.138 118.961 0.177 18521 15974 1 17 . 1 1 79 79 MET HA H 79 3.879 3.879 3.952 -0.073 18521 15975 1 17 . 1 1 79 79 MET C C 79 180.609 180.609 177.996 2.613 18521 15976 1 17 . 1 1 79 79 MET CA C 79 59.210 59.210 59.259 -0.049 18521 15977 1 17 . 1 1 79 79 MET CB C 79 34.157 34.157 32.262 1.895 18521 15978 1 17 . 1 1 79 79 MET H H 79 8.132 8.132 8.080 0.052 18521 15979 1 17 . 1 1 80 80 ASN N N 80 117.000 117.000 117.084 -0.084 18521 15980 1 17 . 1 1 80 80 ASN HA H 80 4.161 4.161 4.549 -0.388 18521 15981 1 17 . 1 1 80 80 ASN C C 80 178.212 178.212 177.602 0.610 18521 15982 1 17 . 1 1 80 80 ASN CA C 80 56.827 56.827 56.005 0.822 18521 15983 1 17 . 1 1 80 80 ASN CB C 80 38.920 38.920 37.365 1.555 18521 15984 1 17 . 1 1 80 80 ASN H H 80 8.195 8.195 8.479 -0.284 18521 15985 1 17 . 1 1 81 81 THR N N 81 116.021 116.021 117.366 -1.345 18521 15986 1 17 . 1 1 81 81 THR HA H 81 3.975 3.975 4.086 -0.111 18521 15987 1 17 . 1 1 81 81 THR C C 81 175.237 175.237 176.406 -1.169 18521 15988 1 17 . 1 1 81 81 THR CA C 81 66.507 66.507 66.441 0.067 18521 15989 1 17 . 1 1 81 81 THR CB C 81 68.813 68.813 68.409 0.404 18521 15990 1 17 . 1 1 81 81 THR H H 81 7.952 7.952 7.989 -0.037 18521 15991 1 17 . 1 1 82 82 LEU N N 82 119.041 119.041 120.208 -1.167 18521 15992 1 17 . 1 1 82 82 LEU HA H 82 4.040 4.040 4.156 -0.116 18521 15993 1 17 . 1 1 82 82 LEU C C 82 177.541 177.541 178.384 -0.843 18521 15994 1 17 . 1 1 82 82 LEU CA C 82 56.468 56.468 57.644 -1.175 18521 15995 1 17 . 1 1 82 82 LEU CB C 82 42.247 42.247 41.837 0.410 18521 15996 1 17 . 1 1 82 82 LEU H H 82 7.655 7.655 7.617 0.038 18521 15997 1 17 . 1 1 83 83 ILE N N 83 118.063 118.063 115.243 2.820 18521 15998 1 17 . 1 1 83 83 ILE HA H 83 3.805 3.805 3.989 -0.184 18521 15999 1 17 . 1 1 83 83 ILE C C 83 176.681 176.681 178.219 -1.538 18521 16000 1 17 . 1 1 83 83 ILE CA C 83 63.188 63.188 63.615 -0.427 18521 16001 1 17 . 1 1 83 83 ILE CB C 83 37.939 37.939 38.535 -0.596 18521 16002 1 17 . 1 1 83 83 ILE H H 83 7.455 7.455 7.207 0.248 18521 16003 1 17 . 1 1 84 84 HIS N N 84 116.118 116.118 116.370 -0.252 18521 16004 1 17 . 1 1 84 84 HIS HA H 84 4.568 4.568 4.442 0.126 18521 16005 1 17 . 1 1 84 84 HIS C C 84 175.568 175.568 175.542 0.026 18521 16006 1 17 . 1 1 84 84 HIS CA C 84 58.425 58.425 58.914 -0.489 18521 16007 1 17 . 1 1 84 84 HIS CB C 84 31.801 31.801 30.839 0.962 18521 16008 1 17 . 1 1 84 84 HIS H H 84 7.168 7.168 8.835 -1.667 18521 16009 1 17 . 1 1 85 85 ASP N N 85 122.411 122.411 119.879 2.532 18521 16010 1 17 . 1 1 85 85 ASP HA H 85 4.546 4.546 4.735 -0.189 18521 16011 1 17 . 1 1 85 85 ASP C C 85 175.527 175.527 176.853 -1.326 18521 16012 1 17 . 1 1 85 85 ASP CA C 85 53.215 53.215 53.410 -0.195 18521 16013 1 17 . 1 1 85 85 ASP CB C 85 40.936 40.936 40.751 0.185 18521 16014 1 17 . 1 1 85 85 ASP H H 85 8.576 8.576 8.019 0.557 18521 16015 1 17 . 1 1 86 86 GLN N N 86 122.561 122.561 126.796 -4.235 18521 16016 1 17 . 1 1 86 86 GLN HA H 86 4.077 4.077 4.244 -0.167 18521 16017 1 17 . 1 1 86 86 GLN C C 86 178.518 178.518 178.234 0.284 18521 16018 1 17 . 1 1 86 86 GLN CA C 86 57.816 57.816 58.682 -0.866 18521 16019 1 17 . 1 1 86 86 GLN CB C 86 29.165 29.165 28.823 0.342 18521 16020 1 17 . 1 1 86 86 GLN H H 86 8.715 8.715 8.484 0.231 18521 16021 1 17 . 1 1 87 87 GLU N N 87 121.616 121.616 120.342 1.274 18521 16022 1 17 . 1 1 87 87 GLU HA H 87 4.042 4.042 3.731 0.311 18521 16023 1 17 . 1 1 87 87 GLU C C 87 178.154 178.154 178.247 -0.093 18521 16024 1 17 . 1 1 87 87 GLU CA C 87 59.051 59.051 59.676 -0.625 18521 16025 1 17 . 1 1 87 87 GLU CB C 87 29.231 29.231 29.012 0.219 18521 16026 1 17 . 1 1 87 87 GLU H H 87 8.073 8.073 7.887 0.186 18521 16027 1 17 . 1 1 88 88 LYS N N 88 119.006 119.006 119.295 -0.289 18521 16028 1 17 . 1 1 88 88 LYS HA H 88 3.754 3.754 4.058 -0.304 18521 16029 1 17 . 1 1 88 88 LYS C C 88 177.129 177.129 178.605 -1.476 18521 16030 1 17 . 1 1 88 88 LYS CA C 88 59.721 59.721 59.178 0.543 18521 16031 1 17 . 1 1 88 88 LYS CB C 88 32.253 32.253 32.239 0.014 18521 16032 1 17 . 1 1 88 88 LYS H H 88 7.525 7.525 8.359 -0.834 18521 16033 1 17 . 1 1 89 89 ALA N N 89 121.945 121.945 121.598 0.347 18521 16034 1 17 . 1 1 89 89 ALA HA H 89 3.734 3.734 4.071 -0.337 18521 16035 1 17 . 1 1 89 89 ALA C C 89 177.545 177.545 179.003 -1.458 18521 16036 1 17 . 1 1 89 89 ALA CA C 89 55.977 55.977 55.234 0.743 18521 16037 1 17 . 1 1 89 89 ALA CB C 89 18.763 18.763 18.060 0.703 18521 16038 1 17 . 1 1 89 89 ALA H H 89 8.472 8.472 7.990 0.482 18521 16039 1 17 . 1 1 90 90 LYS N N 90 117.743 117.743 118.940 -1.197 18521 16040 1 17 . 1 1 90 90 LYS HA H 90 4.015 4.015 2.581 1.434 18521 16041 1 17 . 1 1 90 90 LYS C C 90 177.667 177.667 178.430 -0.763 18521 16042 1 17 . 1 1 90 90 LYS CA C 90 58.703 58.703 58.649 0.054 18521 16043 1 17 . 1 1 90 90 LYS CB C 90 32.779 32.779 31.412 1.367 18521 16044 1 17 . 1 1 90 90 LYS H H 90 6.684 6.684 7.553 -0.869 18521 16045 1 17 . 1 1 91 91 ILE N N 91 117.216 117.216 118.715 -1.499 18521 16046 1 17 . 1 1 91 91 ILE HA H 91 3.414 3.414 3.621 -0.207 18521 16047 1 17 . 1 1 91 91 ILE C C 91 178.422 178.422 177.932 0.490 18521 16048 1 17 . 1 1 91 91 ILE CA C 91 64.094 64.094 65.307 -1.213 18521 16049 1 17 . 1 1 91 91 ILE CB C 91 37.481 37.481 37.832 -0.351 18521 16050 1 17 . 1 1 91 91 ILE H H 91 7.196 7.196 7.336 -0.140 18521 16051 1 17 . 1 1 92 92 TYR N N 92 122.201 122.201 120.922 1.279 18521 16052 1 17 . 1 1 92 92 TYR HA H 92 4.047 4.047 4.065 -0.018 18521 16053 1 17 . 1 1 92 92 TYR C C 92 177.726 177.726 177.500 0.226 18521 16054 1 17 . 1 1 92 92 TYR CA C 92 61.771 61.771 61.607 0.164 18521 16055 1 17 . 1 1 92 92 TYR CB C 92 39.295 39.295 38.421 0.874 18521 16056 1 17 . 1 1 92 92 TYR H H 92 8.466 8.466 7.903 0.563 18521 16057 1 17 . 1 1 93 93 MET N N 93 117.420 117.420 119.680 -2.260 18521 16058 1 17 . 1 1 93 93 MET HA H 93 3.896 3.896 3.935 -0.039 18521 16059 1 17 . 1 1 93 93 MET C C 93 180.221 180.221 177.782 2.439 18521 16060 1 17 . 1 1 93 93 MET CA C 93 57.586 57.586 58.241 -0.655 18521 16061 1 17 . 1 1 93 93 MET CB C 93 30.854 30.854 32.203 -1.349 18521 16062 1 17 . 1 1 93 93 MET H H 93 8.269 8.269 8.753 -0.484 18521 16063 1 17 . 1 1 94 94 LEU N N 94 125.183 125.183 120.498 4.685 18521 16064 1 17 . 1 1 94 94 LEU HA H 94 3.826 3.826 3.884 -0.058 18521 16065 1 17 . 1 1 94 94 LEU C C 94 177.787 177.787 178.208 -0.421 18521 16066 1 17 . 1 1 94 94 LEU CA C 94 58.729 58.729 58.578 0.151 18521 16067 1 17 . 1 1 94 94 LEU CB C 94 42.188 42.188 41.485 0.703 18521 16068 1 17 . 1 1 94 94 LEU H H 94 8.733 8.733 8.208 0.525 18521 16069 1 17 . 1 1 95 95 ASN N N 95 121.517 121.517 118.552 2.965 18521 16070 1 17 . 1 1 95 95 ASN HA H 95 4.184 4.184 4.325 -0.141 18521 16071 1 17 . 1 1 95 95 ASN C C 95 178.481 178.481 177.870 0.611 18521 16072 1 17 . 1 1 95 95 ASN CA C 95 56.312 56.312 56.035 0.277 18521 16073 1 17 . 1 1 95 95 ASN H H 95 8.951 8.951 8.242 0.709 18521 16074 1 17 . 1 1 96 96 PHE N N 96 122.778 122.778 121.732 1.046 18521 16075 1 17 . 1 1 96 96 PHE HA H 96 4.341 4.341 4.144 0.197 18521 16076 1 17 . 1 1 96 96 PHE C C 96 177.925 177.925 176.986 0.939 18521 16077 1 17 . 1 1 96 96 PHE CA C 96 62.427 62.427 61.641 0.786 18521 16078 1 17 . 1 1 96 96 PHE H H 96 8.454 8.454 8.474 -0.020 18521 16079 1 17 . 1 1 97 97 THR N N 97 117.115 117.115 116.675 0.440 18521 16080 1 17 . 1 1 97 97 THR HA H 97 3.369 3.369 3.777 -0.408 18521 16081 1 17 . 1 1 97 97 THR C C 97 176.185 176.185 176.890 -0.705 18521 16082 1 17 . 1 1 97 97 THR CA C 97 68.090 68.090 66.900 1.190 18521 16083 1 17 . 1 1 97 97 THR CB C 97 68.087 68.087 68.359 -0.272 18521 16084 1 17 . 1 1 97 97 THR H H 97 8.209 8.209 8.554 -0.345 18521 16085 1 17 . 1 1 98 98 MET N N 98 119.373 119.373 120.489 -1.116 18521 16086 1 17 . 1 1 98 98 MET HA H 98 4.360 4.360 4.370 -0.010 18521 16087 1 17 . 1 1 98 98 MET C C 98 177.887 177.887 178.647 -0.760 18521 16088 1 17 . 1 1 98 98 MET CA C 98 58.143 58.143 58.099 0.044 18521 16089 1 17 . 1 1 98 98 MET CB C 98 31.948 31.948 31.485 0.463 18521 16090 1 17 . 1 1 98 98 MET H H 98 8.958 8.958 8.951 0.007 18521 16091 1 17 . 1 1 99 99 SER N N 99 114.517 114.517 116.517 -2.000 18521 16092 1 17 . 1 1 99 99 SER HA H 99 4.043 4.043 4.109 -0.066 18521 16093 1 17 . 1 1 99 99 SER C C 99 176.195 176.195 176.860 -0.665 18521 16094 1 17 . 1 1 99 99 SER CA C 99 62.481 62.481 62.003 0.478 18521 16095 1 17 . 1 1 99 99 SER CB C 99 62.692 62.692 62.821 -0.129 18521 16096 1 17 . 1 1 99 99 SER H H 99 7.708 7.708 8.045 -0.337 18521 16097 1 17 . 1 1 100 100 LEU N N 100 125.126 125.126 124.001 1.125 18521 16098 1 17 . 1 1 100 100 LEU HA H 100 3.913 3.913 4.026 -0.113 18521 16099 1 17 . 1 1 100 100 LEU C C 100 177.327 177.327 178.321 -0.994 18521 16100 1 17 . 1 1 100 100 LEU CA C 100 58.005 58.005 57.364 0.641 18521 16101 1 17 . 1 1 100 100 LEU CB C 100 41.841 41.841 41.724 0.117 18521 16102 1 17 . 1 1 100 100 LEU H H 100 7.277 7.277 7.696 -0.419 18521 16103 1 17 . 1 1 101 101 TYR N N 101 120.940 120.940 120.076 0.864 18521 16104 1 17 . 1 1 101 101 TYR HA H 101 4.143 4.143 4.150 -0.007 18521 16105 1 17 . 1 1 101 101 TYR C C 101 176.784 176.784 177.531 -0.747 18521 16106 1 17 . 1 1 101 101 TYR CA C 101 61.543 61.543 61.462 0.081 18521 16107 1 17 . 1 1 101 101 TYR CB C 101 40.909 40.909 38.473 2.436 18521 16108 1 17 . 1 1 101 101 TYR H H 101 8.858 8.858 8.818 0.040 18521 16109 1 17 . 1 1 102 102 ASN N N 102 119.067 119.067 117.449 1.618 18521 16110 1 17 . 1 1 102 102 ASN HA H 102 4.116 4.116 4.196 -0.080 18521 16111 1 17 . 1 1 102 102 ASN C C 102 178.713 178.713 177.256 1.457 18521 16112 1 17 . 1 1 102 102 ASN CA C 102 55.734 55.734 55.923 -0.189 18521 16113 1 17 . 1 1 102 102 ASN H H 102 8.700 8.700 8.918 -0.218 18521 16114 1 17 . 1 1 103 103 GLU N N 103 119.558 119.558 120.416 -0.858 18521 16115 1 17 . 1 1 103 103 GLU HA H 103 3.944 3.944 3.931 0.013 18521 16116 1 17 . 1 1 103 103 GLU C C 103 179.012 179.012 178.893 0.119 18521 16117 1 17 . 1 1 103 103 GLU CA C 103 59.506 59.506 59.780 -0.274 18521 16118 1 17 . 1 1 103 103 GLU CB C 103 29.349 29.349 29.583 -0.234 18521 16119 1 17 . 1 1 103 103 GLU H H 103 7.599 7.599 8.273 -0.674 18521 16120 1 17 . 1 1 104 104 LYS N N 104 120.218 120.218 118.378 1.840 18521 16121 1 17 . 1 1 104 104 LYS HA H 104 4.051 4.051 4.017 0.034 18521 16122 1 17 . 1 1 104 104 LYS C C 104 178.477 178.477 178.999 -0.522 18521 16123 1 17 . 1 1 104 104 LYS CA C 104 56.534 56.534 58.507 -1.973 18521 16124 1 17 . 1 1 104 104 LYS CB C 104 29.108 29.108 32.328 -3.220 18521 16125 1 17 . 1 1 104 104 LYS H H 104 8.311 8.311 7.832 0.479 18521 16126 1 17 . 1 1 105 105 LEU N N 105 122.110 122.110 119.714 2.396 18521 16127 1 17 . 1 1 105 105 LEU HA H 105 3.774 3.774 3.848 -0.074 18521 16128 1 17 . 1 1 105 105 LEU C C 105 180.224 180.224 178.591 1.633 18521 16129 1 17 . 1 1 105 105 LEU CA C 105 58.148 58.148 57.736 0.412 18521 16130 1 17 . 1 1 105 105 LEU CB C 105 42.394 42.394 41.294 1.100 18521 16131 1 17 . 1 1 105 105 LEU H H 105 8.604 8.604 8.145 0.459 18521 16132 1 17 . 1 1 106 106 LYS N N 106 119.031 119.031 119.220 -0.189 18521 16133 1 17 . 1 1 106 106 LYS HA H 106 4.035 4.035 3.747 0.288 18521 16134 1 17 . 1 1 106 106 LYS C C 106 178.496 178.496 178.951 -0.455 18521 16135 1 17 . 1 1 106 106 LYS CA C 106 59.820 59.820 59.588 0.232 18521 16136 1 17 . 1 1 106 106 LYS CB C 106 31.956 31.956 32.257 -0.301 18521 16137 1 17 . 1 1 106 106 LYS H H 106 7.339 7.339 8.047 -0.708 18521 16138 1 17 . 1 1 107 107 GLN N N 107 121.417 121.417 117.688 3.729 18521 16139 1 17 . 1 1 107 107 GLN HA H 107 3.744 3.744 3.804 -0.060 18521 16140 1 17 . 1 1 107 107 GLN C C 107 178.103 178.103 178.706 -0.603 18521 16141 1 17 . 1 1 107 107 GLN CA C 107 58.582 58.582 58.228 0.354 18521 16142 1 17 . 1 1 107 107 GLN CB C 107 26.969 26.969 28.273 -1.304 18521 16143 1 17 . 1 1 107 107 GLN H H 107 7.590 7.590 7.401 0.189 18521 16144 1 17 . 1 1 108 108 LEU N N 108 120.629 120.629 118.289 2.340 18521 16145 1 17 . 1 1 108 108 LEU HA H 108 3.806 3.806 4.445 -0.639 18521 16146 1 17 . 1 1 108 108 LEU C C 108 178.978 178.978 178.275 0.703 18521 16147 1 17 . 1 1 108 108 LEU CA C 108 58.306 58.306 57.412 0.894 18521 16148 1 17 . 1 1 108 108 LEU CB C 108 42.112 42.112 41.683 0.429 18521 16149 1 17 . 1 1 108 108 LEU H H 108 8.450 8.450 7.327 1.123 18521 16150 1 17 . 1 1 109 109 LYS N N 109 119.584 119.584 117.505 2.079 18521 16151 1 17 . 1 1 109 109 LYS HA H 109 4.166 4.166 4.077 0.089 18521 16152 1 17 . 1 1 109 109 LYS C C 109 177.859 177.859 177.102 0.757 18521 16153 1 17 . 1 1 109 109 LYS CA C 109 58.746 58.746 58.731 0.015 18521 16154 1 17 . 1 1 109 109 LYS CB C 109 32.637 32.637 32.707 -0.070 18521 16155 1 17 . 1 1 109 109 LYS H H 109 7.295 7.295 7.707 -0.412 18521 16156 1 17 . 1 1 110 110 ASP N N 110 116.950 116.950 113.245 3.705 18521 16157 1 17 . 1 1 110 110 ASP HA H 110 4.604 4.604 4.935 -0.331 18521 16158 1 17 . 1 1 110 110 ASP C C 110 177.157 177.157 175.026 2.131 18521 16159 1 17 . 1 1 110 110 ASP CA C 110 55.768 55.768 54.292 1.476 18521 16160 1 17 . 1 1 110 110 ASP CB C 110 42.724 42.724 43.502 -0.778 18521 16161 1 17 . 1 1 110 110 ASP H H 110 7.807 7.807 7.663 0.144 18521 16162 1 17 . 1 1 111 111 GLY N N 111 114.046 114.046 110.187 3.859 18521 16163 1 17 . 1 1 111 111 GLY CA C 111 41.845 41.845 44.255 -2.409 18521 16164 1 17 . 1 1 111 111 GLY H H 111 8.554 8.554 7.422 1.132 18521 16165 1 17 . 1 1 112 112 PRO HA H 112 4.552 4.552 4.126 0.426 18521 16166 1 17 . 1 1 112 112 PRO C C 112 174.967 174.967 175.829 -0.862 18521 16167 1 17 . 1 1 112 112 PRO CA C 112 61.222 61.222 62.737 -1.516 18521 16168 1 17 . 1 1 112 112 PRO CB C 112 35.056 35.056 32.323 2.733 18521 16169 1 17 . 1 1 113 113 TRP N N 113 123.139 123.139 123.340 -0.201 18521 16170 1 17 . 1 1 113 113 TRP HA H 113 4.650 4.650 4.868 -0.218 18521 16171 1 17 . 1 1 113 113 TRP C C 113 174.604 174.604 175.175 -0.571 18521 16172 1 17 . 1 1 113 113 TRP CA C 113 58.154 58.154 56.633 1.521 18521 16173 1 17 . 1 1 113 113 TRP CB C 113 27.048 27.048 31.341 -4.293 18521 16174 1 17 . 1 1 113 113 TRP H H 113 8.671 8.671 8.591 0.080 18521 16175 1 17 . 1 1 114 114 ASP N N 114 121.440 121.440 118.194 3.246 18521 16176 1 17 . 1 1 114 114 ASP HA H 114 4.930 4.930 4.789 0.141 18521 16177 1 17 . 1 1 114 114 ASP C C 114 176.979 176.979 176.189 0.790 18521 16178 1 17 . 1 1 114 114 ASP CA C 114 52.223 52.223 52.564 -0.341 18521 16179 1 17 . 1 1 114 114 ASP CB C 114 43.192 43.192 42.388 0.804 18521 16180 1 17 . 1 1 114 114 ASP H H 114 6.950 6.950 8.081 -1.131 18521 16181 1 17 . 1 1 115 115 VAL N N 115 118.386 118.386 120.346 -1.960 18521 16182 1 17 . 1 1 115 115 VAL HA H 115 3.825 3.825 3.800 0.025 18521 16183 1 17 . 1 1 115 115 VAL C C 115 177.760 177.760 178.095 -0.335 18521 16184 1 17 . 1 1 115 115 VAL CA C 115 65.611 65.611 65.298 0.313 18521 16185 1 17 . 1 1 115 115 VAL CB C 115 31.657 31.657 32.033 -0.376 18521 16186 1 17 . 1 1 115 115 VAL H H 115 8.181 8.181 8.391 -0.210 18521 16187 1 17 . 1 1 116 116 MET N N 116 120.354 120.354 118.612 1.742 18521 16188 1 17 . 1 1 116 116 MET HA H 116 4.284 4.284 4.155 0.129 18521 16189 1 17 . 1 1 116 116 MET C C 116 179.336 179.336 178.229 1.107 18521 16190 1 17 . 1 1 116 116 MET CA C 116 57.392 57.392 58.818 -1.426 18521 16191 1 17 . 1 1 116 116 MET CB C 116 30.450 30.450 32.231 -1.781 18521 16192 1 17 . 1 1 116 116 MET H H 116 7.661 7.661 7.943 -0.282 18521 16193 1 17 . 1 1 117 117 LEU N N 117 125.774 125.774 120.085 5.689 18521 16194 1 17 . 1 1 117 117 LEU HA H 117 4.129 4.129 4.044 0.085 18521 16195 1 17 . 1 1 117 117 LEU C C 117 178.399 178.399 178.033 0.366 18521 16196 1 17 . 1 1 117 117 LEU CA C 117 58.353 58.353 58.222 0.131 18521 16197 1 17 . 1 1 117 117 LEU CB C 117 40.392 40.392 41.615 -1.223 18521 16198 1 17 . 1 1 117 117 LEU H H 117 8.179 8.179 9.042 -0.863 18521 16199 1 17 . 1 1 118 118 LYS N N 118 118.471 118.471 119.447 -0.976 18521 16200 1 17 . 1 1 118 118 LYS HA H 118 3.824 3.824 3.911 -0.087 18521 16201 1 17 . 1 1 118 118 LYS C C 118 178.259 178.259 179.066 -0.807 18521 16202 1 17 . 1 1 118 118 LYS CA C 118 60.497 60.497 60.273 0.224 18521 16203 1 17 . 1 1 118 118 LYS CB C 118 32.355 32.355 32.469 -0.114 18521 16204 1 17 . 1 1 118 118 LYS H H 118 7.359 7.359 7.718 -0.359 18521 16205 1 17 . 1 1 119 119 ARG N N 119 117.838 117.838 118.502 -0.664 18521 16206 1 17 . 1 1 119 119 ARG HA H 119 4.158 4.158 4.305 -0.147 18521 16207 1 17 . 1 1 119 119 ARG C C 119 180.132 180.132 179.108 1.024 18521 16208 1 17 . 1 1 119 119 ARG CA C 119 59.535 59.535 59.358 0.177 18521 16209 1 17 . 1 1 119 119 ARG CB C 119 29.994 29.994 30.328 -0.334 18521 16210 1 17 . 1 1 119 119 ARG H H 119 8.316 8.316 8.020 0.296 18521 16211 1 17 . 1 1 120 120 SER N N 120 117.258 117.258 117.230 0.028 18521 16212 1 17 . 1 1 120 120 SER HA H 120 4.374 4.374 4.229 0.145 18521 16213 1 17 . 1 1 120 120 SER C C 120 176.034 176.034 176.790 -0.756 18521 16214 1 17 . 1 1 120 120 SER CA C 120 62.728 62.728 61.986 0.742 18521 16215 1 17 . 1 1 120 120 SER CB C 120 63.050 63.050 63.020 0.029 18521 16216 1 17 . 1 1 120 120 SER H H 120 8.598 8.598 8.165 0.433 18521 16217 1 17 . 1 1 121 121 LEU N N 121 125.307 125.307 121.709 3.598 18521 16218 1 17 . 1 1 121 121 LEU HA H 121 4.192 4.192 4.140 0.052 18521 16219 1 17 . 1 1 121 121 LEU C C 121 179.621 179.621 178.832 0.789 18521 16220 1 17 . 1 1 121 121 LEU CA C 121 58.894 58.894 57.984 0.909 18521 16221 1 17 . 1 1 121 121 LEU CB C 121 41.188 41.188 41.541 -0.353 18521 16222 1 17 . 1 1 121 121 LEU H H 121 8.250 8.250 8.120 0.130 18521 16223 1 17 . 1 1 122 122 TRP N N 122 120.444 120.444 119.698 0.746 18521 16224 1 17 . 1 1 122 122 TRP HA H 122 4.368 4.368 4.352 0.016 18521 16225 1 17 . 1 1 122 122 TRP C C 122 176.943 176.943 178.695 -1.752 18521 16226 1 17 . 1 1 122 122 TRP CA C 122 61.452 61.452 61.669 -0.217 18521 16227 1 17 . 1 1 122 122 TRP CB C 122 29.823 29.823 29.188 0.635 18521 16228 1 17 . 1 1 122 122 TRP H H 122 7.873 7.873 7.701 0.172 18521 16229 1 17 . 1 1 123 123 CYS N N 123 120.188 120.188 119.322 0.866 18521 16230 1 17 . 1 1 123 123 CYS HA H 123 4.264 4.264 4.165 0.099 18521 16231 1 17 . 1 1 123 123 CYS C C 123 176.875 176.875 177.149 -0.274 18521 16232 1 17 . 1 1 123 123 CYS CA C 123 60.573 60.573 63.030 -2.457 18521 16233 1 17 . 1 1 123 123 CYS CB C 123 25.642 25.642 27.711 -2.069 18521 16234 1 17 . 1 1 123 123 CYS H H 123 8.271 8.271 8.086 0.185 18521 16235 1 17 . 1 1 124 124 CYS N N 124 116.760 116.760 119.465 -2.705 18521 16236 1 17 . 1 1 124 124 CYS HA H 124 3.880 3.880 4.057 -0.177 18521 16237 1 17 . 1 1 124 124 CYS C C 124 175.810 175.810 177.072 -1.262 18521 16238 1 17 . 1 1 124 124 CYS CA C 124 65.646 65.646 65.279 0.367 18521 16239 1 17 . 1 1 124 124 CYS CB C 124 28.069 28.069 27.530 0.539 18521 16240 1 17 . 1 1 124 124 CYS H H 124 8.208 8.208 8.188 0.020 18521 16241 1 17 . 1 1 125 125 ILE N N 125 121.167 121.167 121.004 0.163 18521 16242 1 17 . 1 1 125 125 ILE HA H 125 3.580 3.580 3.753 -0.173 18521 16243 1 17 . 1 1 125 125 ILE C C 125 179.302 179.302 177.709 1.593 18521 16244 1 17 . 1 1 125 125 ILE CA C 125 67.663 67.663 65.993 1.670 18521 16245 1 17 . 1 1 125 125 ILE CB C 125 37.988 37.988 37.470 0.518 18521 16246 1 17 . 1 1 125 125 ILE H H 125 8.073 8.073 8.450 -0.377 18521 16247 1 17 . 1 1 126 126 ASP N N 126 124.812 124.812 120.376 4.436 18521 16248 1 17 . 1 1 126 126 ASP HA H 126 4.622 4.622 4.519 0.103 18521 16249 1 17 . 1 1 126 126 ASP C C 126 178.091 178.091 179.057 -0.966 18521 16250 1 17 . 1 1 126 126 ASP CA C 126 58.885 58.885 57.247 1.638 18521 16251 1 17 . 1 1 126 126 ASP CB C 126 40.408 40.408 40.406 0.002 18521 16252 1 17 . 1 1 126 126 ASP H H 126 8.778 8.778 7.813 0.965 18521 16253 1 17 . 1 1 127 127 LEU N N 127 122.531 122.531 120.078 2.453 18521 16254 1 17 . 1 1 127 127 LEU HA H 127 3.841 3.841 3.807 0.034 18521 16255 1 17 . 1 1 127 127 LEU C C 127 179.582 179.582 178.942 0.640 18521 16256 1 17 . 1 1 127 127 LEU CA C 127 58.632 58.632 57.848 0.784 18521 16257 1 17 . 1 1 127 127 LEU CB C 127 42.680 42.680 41.605 1.075 18521 16258 1 17 . 1 1 127 127 LEU H H 127 8.888 8.888 7.453 1.435 18521 16259 1 17 . 1 1 128 128 ILE N N 128 121.311 121.311 118.344 2.967 18521 16260 1 17 . 1 1 128 128 ILE HA H 128 3.938 3.938 3.729 0.209 18521 16261 1 17 . 1 1 128 128 ILE C C 128 176.725 176.725 177.989 -1.264 18521 16262 1 17 . 1 1 128 128 ILE CA C 128 60.922 60.922 64.714 -3.792 18521 16263 1 17 . 1 1 128 128 ILE CB C 128 38.971 38.971 37.369 1.602 18521 16264 1 17 . 1 1 128 128 ILE H H 128 7.469 7.469 7.927 -0.458 18521 16265 1 17 . 1 1 129 129 ASN N N 129 122.727 122.727 117.942 4.785 18521 16266 1 17 . 1 1 129 129 ASN HA H 129 4.582 4.582 4.370 0.212 18521 16267 1 17 . 1 1 129 129 ASN C C 129 177.132 177.132 177.491 -0.359 18521 16268 1 17 . 1 1 129 129 ASN CA C 129 52.982 52.982 56.452 -3.470 18521 16269 1 17 . 1 1 129 129 ASN CB C 129 38.792 38.792 38.547 0.245 18521 16270 1 17 . 1 1 129 129 ASN H H 129 8.173 8.173 8.336 -0.163 18521 16271 1 17 . 1 1 130 130 ILE N N 130 120.527 120.527 122.180 -1.653 18521 16272 1 17 . 1 1 130 130 ILE HA H 130 4.305 4.305 2.757 1.548 18521 16273 1 17 . 1 1 130 130 ILE C C 130 175.796 175.796 177.417 -1.621 18521 16274 1 17 . 1 1 130 130 ILE CA C 130 61.246 61.246 63.453 -2.207 18521 16275 1 17 . 1 1 130 130 ILE CB C 130 38.797 38.797 37.043 1.754 18521 16276 1 17 . 1 1 130 130 ILE H H 130 8.096 8.096 7.441 0.655 18521 16277 1 17 . 1 1 131 131 ASP N N 131 122.165 122.165 122.171 -0.006 18521 16278 1 17 . 1 1 131 131 ASP HA H 131 4.416 4.416 4.087 0.329 18521 16279 1 17 . 1 1 131 131 ASP C C 131 176.750 176.750 178.540 -1.790 18521 16280 1 17 . 1 1 131 131 ASP CA C 131 55.955 55.955 57.924 -1.969 18521 16281 1 17 . 1 1 131 131 ASP CB C 131 41.117 41.117 40.647 0.470 18521 16282 1 17 . 1 1 131 131 ASP H H 131 8.157 8.157 7.686 0.471 18521 16283 1 17 . 1 1 132 132 LYS N N 132 119.537 119.537 117.913 1.624 18521 16284 1 17 . 1 1 132 132 LYS HA H 132 4.373 4.373 3.968 0.405 18521 16285 1 17 . 1 1 132 132 LYS C C 132 176.405 176.405 178.187 -1.782 18521 16286 1 17 . 1 1 132 132 LYS CA C 132 55.699 55.699 59.237 -3.538 18521 16287 1 17 . 1 1 132 132 LYS CB C 132 32.822 32.822 32.207 0.615 18521 16288 1 17 . 1 1 132 132 LYS H H 132 8.023 8.023 7.566 0.457 18521 16289 1 17 . 1 1 133 133 LEU N N 133 120.242 120.242 119.984 0.258 18521 16290 1 17 . 1 1 133 133 LEU HA H 133 4.158 4.158 4.290 -0.132 18521 16291 1 17 . 1 1 133 133 LEU C C 133 178.449 178.449 179.795 -1.346 18521 16292 1 17 . 1 1 133 133 LEU CA C 133 57.538 57.538 58.058 -0.520 18521 16293 1 17 . 1 1 133 133 LEU CB C 133 41.572 41.572 42.790 -1.218 18521 16294 1 17 . 1 1 133 133 LEU H H 133 8.024 8.024 7.612 0.412 18521 16295 1 17 . 1 1 134 134 GLN N N 134 117.985 117.985 118.250 -0.265 18521 16296 1 17 . 1 1 134 134 GLN HA H 134 4.018 4.018 3.843 0.175 18521 16297 1 17 . 1 1 134 134 GLN C C 134 179.500 179.500 177.070 2.430 18521 16298 1 17 . 1 1 134 134 GLN CA C 134 58.175 58.175 57.868 0.307 18521 16299 1 17 . 1 1 134 134 GLN CB C 134 29.102 29.102 28.236 0.866 18521 16300 1 17 . 1 1 134 134 GLN H H 134 8.536 8.536 8.227 0.309 18521 16301 1 17 . 1 1 135 135 TRP N N 135 115.550 115.550 116.067 -0.517 18521 16302 1 17 . 1 1 135 135 TRP HA H 135 4.991 4.991 4.918 0.073 18521 16303 1 17 . 1 1 135 135 TRP C C 135 175.170 175.170 175.401 -0.231 18521 16304 1 17 . 1 1 135 135 TRP CA C 135 59.426 59.426 56.070 3.356 18521 16305 1 17 . 1 1 135 135 TRP CB C 135 26.894 26.894 28.283 -1.389 18521 16306 1 17 . 1 1 135 135 TRP H H 135 7.727 7.727 7.450 0.277 18521 16307 1 17 . 1 1 136 136 LYS N N 136 119.841 119.841 120.454 -0.613 18521 16308 1 17 . 1 1 136 136 LYS HA H 136 3.830 3.830 4.052 -0.222 18521 16309 1 17 . 1 1 136 136 LYS C C 136 178.330 178.330 178.823 -0.493 18521 16310 1 17 . 1 1 136 136 LYS CA C 136 60.194 60.194 60.319 -0.126 18521 16311 1 17 . 1 1 136 136 LYS CB C 136 32.902 32.902 32.438 0.464 18521 16312 1 17 . 1 1 136 136 LYS H H 136 6.580 6.580 7.718 -1.138 18521 16313 1 17 . 1 1 137 137 GLU N N 137 115.250 115.250 116.392 -1.142 18521 16314 1 17 . 1 1 137 137 GLU HA H 137 4.177 4.177 4.152 0.025 18521 16315 1 17 . 1 1 137 137 GLU C C 137 176.698 176.698 177.156 -0.458 18521 16316 1 17 . 1 1 137 137 GLU CA C 137 57.766 57.766 58.448 -0.682 18521 16317 1 17 . 1 1 137 137 GLU CB C 137 29.221 29.221 29.380 -0.159 18521 16318 1 17 . 1 1 137 137 GLU H H 137 8.549 8.549 8.771 -0.222 18521 16319 1 17 . 1 1 138 138 ASN N N 138 116.578 116.578 115.479 1.099 18521 16320 1 17 . 1 1 138 138 ASN HA H 138 4.943 4.943 4.741 0.202 18521 16321 1 17 . 1 1 138 138 ASN C C 138 173.448 173.448 174.396 -0.948 18521 16322 1 17 . 1 1 138 138 ASN CA C 138 52.681 52.681 53.480 -0.799 18521 16323 1 17 . 1 1 138 138 ASN CB C 138 40.833 40.833 39.472 1.361 18521 16324 1 17 . 1 1 138 138 ASN H H 138 8.337 8.337 7.700 0.637 18521 16325 1 17 . 1 1 139 139 ILE N N 139 120.835 120.835 120.214 0.621 18521 16326 1 17 . 1 1 139 139 ILE HA H 139 4.339 4.339 4.318 0.021 18521 16327 1 17 . 1 1 139 139 ILE C C 139 175.219 175.219 175.345 -0.126 18521 16328 1 17 . 1 1 139 139 ILE CA C 139 60.867 60.867 60.444 0.423 18521 16329 1 17 . 1 1 139 139 ILE CB C 139 40.270 40.270 40.075 0.195 18521 16330 1 17 . 1 1 139 139 ILE H H 139 7.138 7.138 7.320 -0.182 18521 16331 1 17 . 1 1 140 140 MET N N 140 123.319 123.319 121.990 1.329 18521 16332 1 17 . 1 1 140 140 MET HA H 140 4.324 4.324 4.541 -0.217 18521 16333 1 17 . 1 1 140 140 MET C C 140 177.931 177.931 177.322 0.609 18521 16334 1 17 . 1 1 140 140 MET CA C 140 58.511 58.511 55.418 3.093 18521 16335 1 17 . 1 1 140 140 MET CB C 140 65.156 65.156 64.254 0.902 18521 16336 1 17 . 1 1 140 140 MET H H 140 8.714 8.714 8.257 0.457 18521 16337 1 17 . 1 1 141 141 LEU N N 141 120.610 120.610 123.590 -2.980 18521 16338 1 17 . 1 1 141 141 LEU HA H 141 4.047 4.047 4.072 -0.025 18521 16339 1 17 . 1 1 141 141 LEU C C 141 177.281 177.281 178.725 -1.444 18521 16340 1 17 . 1 1 141 141 LEU CA C 141 58.362 58.362 58.302 0.060 18521 16341 1 17 . 1 1 141 141 LEU H H 141 8.333 8.333 8.948 -0.615 18521 16342 1 17 . 1 1 142 142 ASP N N 142 121.268 121.268 120.506 0.762 18521 16343 1 17 . 1 1 142 142 ASP HA H 142 4.415 4.415 4.664 -0.249 18521 16344 1 17 . 1 1 142 142 ASP C C 142 175.916 175.916 178.052 -2.136 18521 16345 1 17 . 1 1 142 142 ASP CA C 142 54.678 54.678 57.940 -3.262 18521 16346 1 17 . 1 1 142 142 ASP CB C 142 68.329 68.329 68.209 0.120 18521 16347 1 17 . 1 1 142 142 ASP H H 142 8.199 8.199 8.411 -0.212 18521 16348 1 17 . 1 1 143 143 LEU N N 143 120.218 120.218 122.376 -2.158 18521 16349 1 17 . 1 1 143 143 LEU HA H 143 4.108 4.108 4.173 -0.065 18521 16350 1 17 . 1 1 143 143 LEU C C 143 176.205 176.205 178.942 -2.737 18521 16351 1 17 . 1 1 143 143 LEU CA C 143 57.314 57.314 58.234 -0.921 18521 16352 1 17 . 1 1 143 143 LEU CB C 143 39.700 39.700 40.871 -1.171 18521 16353 1 17 . 1 1 143 143 LEU H H 143 7.858 7.858 8.073 -0.215 18521 16354 1 17 . 1 1 144 144 ILE N N 144 121.582 121.582 126.136 -4.554 18521 16355 1 17 . 1 1 144 144 ILE HA H 144 4.083 4.083 3.748 0.335 18521 16356 1 17 . 1 1 144 144 ILE C C 144 177.130 177.130 177.930 -0.800 18521 16357 1 17 . 1 1 144 144 ILE CA C 144 60.697 60.697 66.518 -5.821 18521 16358 1 17 . 1 1 144 144 ILE CB C 144 38.565 38.565 37.551 1.014 18521 16359 1 17 . 1 1 144 144 ILE H H 144 7.948 7.948 8.023 -0.075 18521 16360 1 17 . 1 1 145 145 GLU N N 145 120.974 120.974 121.962 -0.988 18521 16361 1 17 . 1 1 145 145 GLU HA H 145 4.049 4.049 4.189 -0.140 18521 16362 1 17 . 1 1 145 145 GLU C C 145 179.664 179.664 178.816 0.848 18521 16363 1 17 . 1 1 145 145 GLU CA C 145 59.673 59.673 59.574 0.099 18521 16364 1 17 . 1 1 145 145 GLU CB C 145 29.521 29.521 29.662 -0.141 18521 16365 1 17 . 1 1 145 145 GLU H H 145 7.869 7.869 7.856 0.013 18521 16366 1 17 . 1 1 146 146 GLN N N 146 118.520 118.520 121.010 -2.490 18521 16367 1 17 . 1 1 146 146 GLN HA H 146 4.034 4.034 3.997 0.037 18521 16368 1 17 . 1 1 146 146 GLN C C 146 178.820 178.820 177.528 1.292 18521 16369 1 17 . 1 1 146 146 GLN CA C 146 58.720 58.720 59.924 -1.204 18521 16370 1 17 . 1 1 146 146 GLN CB C 146 29.312 29.312 28.508 0.804 18521 16371 1 17 . 1 1 146 146 GLN H H 146 8.407 8.407 7.526 0.881 18521 16372 1 17 . 1 1 147 147 GLY N N 147 108.998 108.998 109.604 -0.606 18521 16373 1 17 . 1 1 147 147 GLY HA H 147 3.471 3.471 3.715 -0.244 18521 16374 1 17 . 1 1 147 147 GLY C C 147 175.794 175.794 176.457 -0.663 18521 16375 1 17 . 1 1 147 147 GLY CA C 147 47.525 47.525 48.120 -0.595 18521 16376 1 17 . 1 1 147 147 GLY CB C 147 41.801 41.801 41.436 0.365 18521 16377 1 17 . 1 1 147 147 GLY H H 147 8.059 8.059 7.501 0.558 18521 16378 1 17 . 1 1 148 148 ASP N N 148 124.022 124.022 118.749 5.273 18521 16379 1 17 . 1 1 148 148 ASP HA H 148 4.342 4.342 4.140 0.202 18521 16380 1 17 . 1 1 148 148 ASP C C 148 175.607 175.607 178.545 -2.938 18521 16381 1 17 . 1 1 148 148 ASP CA C 148 57.252 57.252 57.405 -0.153 18521 16382 1 17 . 1 1 148 148 ASP CB C 148 39.918 39.918 40.386 -0.468 18521 16383 1 17 . 1 1 148 148 ASP H H 148 8.522 8.522 8.384 0.138 18521 16384 1 17 . 1 1 149 149 GLU N N 149 121.333 121.333 119.904 1.429 18521 16385 1 17 . 1 1 149 149 GLU HA H 149 4.008 4.008 3.956 0.052 18521 16386 1 17 . 1 1 149 149 GLU C C 149 175.652 175.652 178.776 -3.124 18521 16387 1 17 . 1 1 149 149 GLU CA C 149 59.394 59.394 59.597 -0.203 18521 16388 1 17 . 1 1 149 149 GLU CB C 149 32.048 32.048 32.261 -0.213 18521 16389 1 17 . 1 1 149 149 GLU H H 149 7.768 7.768 8.114 -0.346 18521 16390 1 17 . 1 1 150 150 LEU N N 150 120.820 120.820 119.134 1.686 18521 16391 1 17 . 1 1 150 150 LEU HA H 150 3.718 3.718 4.076 -0.358 18521 16392 1 17 . 1 1 150 150 LEU C C 150 179.476 179.476 179.521 -0.045 18521 16393 1 17 . 1 1 150 150 LEU CA C 150 57.656 57.656 57.886 -0.230 18521 16394 1 17 . 1 1 150 150 LEU CB C 150 28.936 28.936 29.602 -0.666 18521 16395 1 17 . 1 1 150 150 LEU H H 150 8.113 8.113 7.232 0.881 18521 16396 1 17 . 1 1 151 151 GLN N N 151 118.698 118.698 119.256 -0.558 18521 16397 1 17 . 1 1 151 151 GLN HA H 151 3.990 3.990 3.664 0.326 18521 16398 1 17 . 1 1 151 151 GLN C C 151 178.418 178.418 177.359 1.059 18521 16399 1 17 . 1 1 151 151 GLN CA C 151 58.570 58.570 59.806 -1.236 18521 16400 1 17 . 1 1 151 151 GLN CB C 151 38.409 38.409 37.479 0.930 18521 16401 1 17 . 1 1 151 151 GLN H H 151 8.282 8.282 7.582 0.700 18521 16402 1 17 . 1 1 152 152 GLU N N 152 120.750 120.750 120.052 0.698 18521 16403 1 17 . 1 1 152 152 GLU HA H 152 4.035 4.035 3.973 0.062 18521 16404 1 17 . 1 1 152 152 GLU C C 152 178.916 178.916 178.850 0.066 18521 16405 1 17 . 1 1 152 152 GLU CA C 152 59.223 59.223 59.391 -0.168 18521 16406 1 17 . 1 1 152 152 GLU CB C 152 29.322 29.322 29.158 0.164 18521 16407 1 17 . 1 1 152 152 GLU H H 152 7.499 7.499 8.290 -0.791 18521 16408 1 17 . 1 1 153 153 VAL N N 153 120.317 120.317 120.570 -0.253 18521 16409 1 17 . 1 1 153 153 VAL HA H 153 3.695 3.695 3.803 -0.108 18521 16410 1 17 . 1 1 153 153 VAL C C 153 178.846 178.846 178.321 0.525 18521 16411 1 17 . 1 1 153 153 VAL CA C 153 65.832 65.832 66.490 -0.658 18521 16412 1 17 . 1 1 153 153 VAL CB C 153 31.921 31.921 31.789 0.132 18521 16413 1 17 . 1 1 153 153 VAL H H 153 7.763 7.763 8.213 -0.450 18521 16414 1 17 . 1 1 154 154 LEU N N 154 121.374 121.374 119.880 1.494 18521 16415 1 17 . 1 1 154 154 LEU HA H 154 3.917 3.917 3.991 -0.074 18521 16416 1 17 . 1 1 154 154 LEU C C 154 178.836 178.836 178.525 0.311 18521 16417 1 17 . 1 1 154 154 LEU CA C 154 57.439 57.439 58.519 -1.080 18521 16418 1 17 . 1 1 154 154 LEU CB C 154 41.797 41.797 41.148 0.649 18521 16419 1 17 . 1 1 154 154 LEU H H 154 7.731 7.731 8.020 -0.289 18521 16420 1 17 . 1 1 155 155 ALA N N 155 121.695 121.695 124.005 -2.310 18521 16421 1 17 . 1 1 155 155 ALA HA H 155 4.145 4.145 3.836 0.309 18521 16422 1 17 . 1 1 155 155 ALA C C 155 179.502 179.502 180.088 -0.586 18521 16423 1 17 . 1 1 155 155 ALA CA C 155 54.175 54.175 55.498 -1.323 18521 16424 1 17 . 1 1 155 155 ALA CB C 155 18.499 18.499 18.702 -0.203 18521 16425 1 17 . 1 1 155 155 ALA H H 155 7.896 7.896 7.672 0.224 18521 16426 1 17 . 1 1 156 156 MET N N 156 117.652 117.652 118.467 -0.815 18521 16427 1 17 . 1 1 156 156 MET HA H 156 4.228 4.228 3.971 0.257 18521 16428 1 17 . 1 1 156 156 MET C C 156 177.366 177.366 178.927 -1.561 18521 16429 1 17 . 1 1 156 156 MET CA C 156 57.306 57.306 58.998 -1.692 18521 16430 1 17 . 1 1 156 156 MET CB C 156 32.373 32.373 32.606 -0.233 18521 16431 1 17 . 1 1 156 156 MET H H 156 7.778 7.778 8.312 -0.534 18521 16432 1 17 . 1 1 157 157 ASN N N 157 117.853 117.853 118.312 -0.459 18521 16433 1 17 . 1 1 157 157 ASN HA H 157 4.588 4.588 4.230 0.358 18521 16434 1 17 . 1 1 157 157 ASN C C 157 175.211 175.211 177.144 -1.933 18521 16435 1 17 . 1 1 157 157 ASN CA C 157 54.068 54.068 57.194 -3.126 18521 16436 1 17 . 1 1 157 157 ASN CB C 157 39.125 39.125 38.322 0.803 18521 16437 1 17 . 1 1 157 157 ASN H H 157 8.009 8.009 8.247 -0.238 18521 16438 1 17 . 1 1 158 158 ASN N N 158 117.684 117.684 117.291 0.393 18521 16439 1 17 . 1 1 158 158 ASN HA H 158 4.612 4.612 4.324 0.288 18521 16440 1 17 . 1 1 158 158 ASN C C 158 174.669 174.669 177.303 -2.634 18521 16441 1 17 . 1 1 158 158 ASN CA C 158 53.554 53.554 56.046 -2.492 18521 16442 1 17 . 1 1 158 158 ASN CB C 158 39.343 39.343 37.951 1.392 18521 16443 1 17 . 1 1 158 158 ASN H H 158 7.951 7.951 8.794 -0.843 18521 16444 1 17 . 1 1 159 159 ASN N N 159 119.399 119.399 117.195 2.204 18521 16445 1 17 . 1 1 159 159 ASN HA H 159 4.583 4.583 4.410 0.173 18521 16446 1 17 . 1 1 159 159 ASN C C 159 175.563 175.563 177.736 -2.173 18521 16447 1 17 . 1 1 159 159 ASN CA C 159 53.901 53.901 56.544 -2.643 18521 16448 1 17 . 1 1 159 159 ASN CB C 159 38.425 38.425 38.035 0.390 18521 16449 1 17 . 1 1 159 159 ASN H H 159 8.319 8.319 7.566 0.753 18521 16450 1 17 . 1 1 160 160 SER N N 160 115.453 115.453 116.843 -1.390 18521 16451 1 17 . 1 1 160 160 SER HA H 160 4.324 4.324 4.069 0.255 18521 16452 1 17 . 1 1 160 160 SER C C 160 174.952 174.952 177.063 -2.111 18521 16453 1 17 . 1 1 160 160 SER CA C 160 58.851 58.851 61.241 -2.390 18521 16454 1 17 . 1 1 160 160 SER CB C 160 63.704 63.704 62.883 0.821 18521 16455 1 17 . 1 1 160 160 SER H H 160 8.297 8.297 7.375 0.922 18521 16456 1 17 . 1 1 161 161 GLY N N 161 110.851 110.851 105.930 4.921 18521 16457 1 17 . 1 1 161 161 GLY HA H 161 4.146 4.146 4.036 0.110 18521 16458 1 17 . 1 1 161 161 GLY C C 161 173.974 173.974 176.809 -2.835 18521 16459 1 17 . 1 1 161 161 GLY CA C 161 45.348 45.348 47.845 -2.497 18521 16460 1 17 . 1 1 161 161 GLY CB C 161 42.245 42.245 41.917 0.328 18521 16461 1 17 . 1 1 161 161 GLY H H 161 8.328 8.328 8.097 0.231 18521 16462 1 17 . 1 1 162 162 GLU N N 162 120.859 120.859 116.984 3.875 18521 16463 1 17 . 1 1 162 162 GLU HA H 162 4.211 4.211 4.200 0.011 18521 16464 1 17 . 1 1 162 162 GLU C C 162 177.522 177.522 177.725 -0.203 18521 16465 1 17 . 1 1 162 162 GLU CA C 162 56.065 56.065 58.833 -2.768 18521 16466 1 17 . 1 1 162 162 GLU CB C 162 29.852 29.852 29.010 0.842 18521 16467 1 17 . 1 1 162 162 GLU H H 162 8.244 8.244 7.707 0.537 18521 16468 1 17 . 1 1 163 163 LEU N N 163 124.226 124.226 118.025 6.201 18521 16469 1 17 . 1 1 163 163 LEU HA H 163 3.889 3.889 4.274 -0.385 18521 16470 1 17 . 1 1 163 163 LEU C C 163 178.043 178.043 177.003 1.040 18521 16471 1 17 . 1 1 163 163 LEU CA C 163 57.163 57.163 54.773 2.390 18521 16472 1 17 . 1 1 163 163 LEU CB C 163 41.840 41.840 42.234 -0.394 18521 16473 1 17 . 1 1 163 163 LEU H H 163 8.337 8.337 7.721 0.616 18521 16474 1 17 . 1 1 164 164 ASP N N 164 116.994 116.994 119.007 -2.013 18521 16475 1 17 . 1 1 164 164 ASP HA H 164 4.327 4.327 4.289 0.038 18521 16476 1 17 . 1 1 164 164 ASP C C 164 176.423 176.423 176.819 -0.396 18521 16477 1 17 . 1 1 164 164 ASP CA C 164 55.427 55.427 54.608 0.819 18521 16478 1 17 . 1 1 164 164 ASP H H 164 8.188 8.188 7.802 0.386 18521 16479 1 17 . 1 1 165 165 ASP N N 165 118.967 118.967 118.546 0.421 18521 16480 1 17 . 1 1 165 165 ASP HA H 165 4.443 4.443 4.513 -0.070 18521 16481 1 17 . 1 1 165 165 ASP C C 165 175.654 175.654 176.311 -0.657 18521 16482 1 17 . 1 1 165 165 ASP CA C 165 54.707 54.707 55.013 -0.306 18521 16483 1 17 . 1 1 165 165 ASP CB C 165 40.973 40.973 41.182 -0.209 18521 16484 1 17 . 1 1 165 165 ASP H H 165 7.701 7.701 7.857 -0.156 18521 16485 1 17 . 1 1 166 166 ILE N N 166 122.002 122.002 119.924 2.078 18521 16486 1 17 . 1 1 166 166 ILE HA H 166 4.049 4.049 3.987 0.062 18521 16487 1 17 . 1 1 166 166 ILE C C 166 175.180 175.180 175.231 -0.051 18521 16488 1 17 . 1 1 166 166 ILE CA C 166 60.396 60.396 59.869 0.527 18521 16489 1 17 . 1 1 166 166 ILE CB C 166 39.185 39.185 37.302 1.883 18521 16490 1 17 . 1 1 166 166 ILE H H 166 7.388 7.388 7.361 0.027 18521 16491 1 18 . 1 1 2 2 ALA N N 2 122.445 122.445 123.011 -0.566 18521 16492 1 18 . 1 1 2 2 ALA HA H 2 4.045 4.045 4.037 0.008 18521 16493 1 18 . 1 1 2 2 ALA C C 2 179.992 179.992 179.387 0.605 18521 16494 1 18 . 1 1 2 2 ALA CA C 2 55.140 55.140 54.876 0.264 18521 16495 1 18 . 1 1 2 2 ALA CB C 2 18.482 18.482 18.015 0.467 18521 16496 1 18 . 1 1 2 2 ALA H H 2 8.545 8.545 8.470 0.075 18521 16497 1 18 . 1 1 3 3 SER N N 3 115.544 115.544 113.222 2.322 18521 16498 1 18 . 1 1 3 3 SER HA H 3 4.030 4.030 4.225 -0.195 18521 16499 1 18 . 1 1 3 3 SER C C 3 176.584 176.584 176.686 -0.102 18521 16500 1 18 . 1 1 3 3 SER CA C 3 60.748 60.748 61.152 -0.404 18521 16501 1 18 . 1 1 3 3 SER CB C 3 62.416 62.416 62.498 -0.082 18521 16502 1 18 . 1 1 3 3 SER H H 3 8.009 8.009 8.402 -0.393 18521 16503 1 18 . 1 1 4 4 ASN N N 4 123.103 123.103 119.301 3.802 18521 16504 1 18 . 1 1 4 4 ASN HA H 4 4.318 4.318 4.494 -0.176 18521 16505 1 18 . 1 1 4 4 ASN C C 4 176.215 176.215 177.230 -1.015 18521 16506 1 18 . 1 1 4 4 ASN CA C 4 55.580 55.580 55.846 -0.266 18521 16507 1 18 . 1 1 4 4 ASN CB C 4 38.154 38.154 37.803 0.350 18521 16508 1 18 . 1 1 4 4 ASN H H 4 7.965 7.965 7.707 0.258 18521 16509 1 18 . 1 1 5 5 ALA N N 5 122.314 122.314 122.392 -0.078 18521 16510 1 18 . 1 1 5 5 ALA HA H 5 3.560 3.560 3.957 -0.397 18521 16511 1 18 . 1 1 5 5 ALA C C 5 178.543 178.543 178.869 -0.326 18521 16512 1 18 . 1 1 5 5 ALA CA C 5 55.774 55.774 55.353 0.421 18521 16513 1 18 . 1 1 5 5 ALA CB C 5 17.638 17.638 18.216 -0.578 18521 16514 1 18 . 1 1 5 5 ALA H H 5 8.721 8.721 7.561 1.160 18521 16515 1 18 . 1 1 6 6 ALA N N 6 117.886 117.886 121.598 -3.712 18521 16516 1 18 . 1 1 6 6 ALA HA H 6 3.784 3.784 4.038 -0.254 18521 16517 1 18 . 1 1 6 6 ALA C C 6 180.378 180.378 179.575 0.803 18521 16518 1 18 . 1 1 6 6 ALA CA C 6 55.240 55.240 54.999 0.241 18521 16519 1 18 . 1 1 6 6 ALA CB C 6 17.890 17.890 17.986 -0.096 18521 16520 1 18 . 1 1 6 6 ALA H H 6 7.891 7.891 7.386 0.505 18521 16521 1 18 . 1 1 7 7 ARG N N 7 120.992 120.992 119.312 1.680 18521 16522 1 18 . 1 1 7 7 ARG HA H 7 3.770 3.770 4.026 -0.256 18521 16523 1 18 . 1 1 7 7 ARG C C 7 179.531 179.531 178.591 0.940 18521 16524 1 18 . 1 1 7 7 ARG CA C 7 59.249 59.249 59.379 -0.130 18521 16525 1 18 . 1 1 7 7 ARG CB C 7 29.546 29.546 30.367 -0.821 18521 16526 1 18 . 1 1 7 7 ARG H H 7 7.503 7.503 7.739 -0.236 18521 16527 1 18 . 1 1 8 8 VAL N N 8 123.707 123.707 120.156 3.551 18521 16528 1 18 . 1 1 8 8 VAL HA H 8 3.285 3.285 3.698 -0.413 18521 16529 1 18 . 1 1 8 8 VAL C C 8 177.740 177.740 178.042 -0.302 18521 16530 1 18 . 1 1 8 8 VAL CA C 8 67.839 67.839 67.262 0.577 18521 16531 1 18 . 1 1 8 8 VAL CB C 8 31.516 31.516 31.841 -0.325 18521 16532 1 18 . 1 1 8 8 VAL H H 8 8.176 8.176 8.059 0.117 18521 16533 1 18 . 1 1 9 9 VAL N N 9 119.893 119.893 120.193 -0.300 18521 16534 1 18 . 1 1 9 9 VAL HA H 9 3.286 3.286 3.566 -0.280 18521 16535 1 18 . 1 1 9 9 VAL C C 9 177.535 177.535 178.061 -0.526 18521 16536 1 18 . 1 1 9 9 VAL CA C 9 67.549 67.549 66.698 0.851 18521 16537 1 18 . 1 1 9 9 VAL CB C 9 31.683 31.683 30.941 0.743 18521 16538 1 18 . 1 1 9 9 VAL H H 9 8.329 8.329 7.682 0.647 18521 16539 1 18 . 1 1 10 10 ALA N N 10 122.541 122.541 121.839 0.702 18521 16540 1 18 . 1 1 10 10 ALA HA H 10 3.971 3.971 4.093 -0.122 18521 16541 1 18 . 1 1 10 10 ALA C C 10 177.093 177.093 179.669 -2.576 18521 16542 1 18 . 1 1 10 10 ALA CA C 10 55.448 55.448 55.438 0.010 18521 16543 1 18 . 1 1 10 10 ALA CB C 10 17.791 17.791 18.463 -0.672 18521 16544 1 18 . 1 1 10 10 ALA H H 10 7.802 7.802 8.182 -0.380 18521 16545 1 18 . 1 1 11 11 THR N N 11 116.946 116.946 115.726 1.220 18521 16546 1 18 . 1 1 11 11 THR HA H 11 3.821 3.821 3.959 -0.138 18521 16547 1 18 . 1 1 11 11 THR C C 11 175.702 175.702 176.602 -0.900 18521 16548 1 18 . 1 1 11 11 THR CA C 11 66.531 66.531 67.241 -0.710 18521 16549 1 18 . 1 1 11 11 THR CB C 11 68.493 68.493 68.657 -0.164 18521 16550 1 18 . 1 1 11 11 THR H H 11 8.187 8.187 8.626 -0.439 18521 16551 1 18 . 1 1 12 12 ALA N N 12 125.357 125.357 123.913 1.444 18521 16552 1 18 . 1 1 12 12 ALA HA H 12 4.003 4.003 4.067 -0.064 18521 16553 1 18 . 1 1 12 12 ALA C C 12 179.401 179.401 179.299 0.102 18521 16554 1 18 . 1 1 12 12 ALA CA C 12 56.083 56.083 55.285 0.798 18521 16555 1 18 . 1 1 12 12 ALA CB C 12 18.855 18.855 18.224 0.631 18521 16556 1 18 . 1 1 12 12 ALA H H 12 8.641 8.641 8.437 0.204 18521 16557 1 18 . 1 1 13 13 LYS N N 13 117.246 117.246 116.983 0.263 18521 16558 1 18 . 1 1 13 13 LYS HA H 13 3.964 3.964 4.094 -0.130 18521 16559 1 18 . 1 1 13 13 LYS C C 13 180.132 180.132 178.355 1.777 18521 16560 1 18 . 1 1 13 13 LYS CA C 13 58.991 58.991 59.178 -0.187 18521 16561 1 18 . 1 1 13 13 LYS CB C 13 32.014 32.014 32.056 -0.042 18521 16562 1 18 . 1 1 13 13 LYS H H 13 7.961 7.961 7.678 0.283 18521 16563 1 18 . 1 1 14 14 ASP N N 14 122.162 122.162 119.636 2.526 18521 16564 1 18 . 1 1 14 14 ASP HA H 14 4.355 4.355 4.408 -0.053 18521 16565 1 18 . 1 1 14 14 ASP C C 14 179.394 179.394 178.263 1.131 18521 16566 1 18 . 1 1 14 14 ASP CA C 14 57.524 57.524 56.865 0.659 18521 16567 1 18 . 1 1 14 14 ASP CB C 14 39.984 39.984 40.462 -0.478 18521 16568 1 18 . 1 1 14 14 ASP H H 14 7.702 7.702 7.866 -0.164 18521 16569 1 18 . 1 1 15 15 PHE N N 15 119.552 119.552 118.182 1.370 18521 16570 1 18 . 1 1 15 15 PHE HA H 15 4.307 4.307 4.202 0.105 18521 16571 1 18 . 1 1 15 15 PHE C C 15 178.383 178.383 177.823 0.560 18521 16572 1 18 . 1 1 15 15 PHE CA C 15 62.313 62.313 61.569 0.744 18521 16573 1 18 . 1 1 15 15 PHE CB C 15 37.340 37.340 38.852 -1.512 18521 16574 1 18 . 1 1 15 15 PHE H H 15 7.970 7.970 7.691 0.279 18521 16575 1 18 . 1 1 16 16 ASP N N 16 121.464 121.464 119.594 1.870 18521 16576 1 18 . 1 1 16 16 ASP HA H 16 4.016 4.016 4.447 -0.431 18521 16577 1 18 . 1 1 16 16 ASP C C 16 179.923 179.923 179.228 0.695 18521 16578 1 18 . 1 1 16 16 ASP CA C 16 58.030 58.030 57.349 0.681 18521 16579 1 18 . 1 1 16 16 ASP CB C 16 41.407 41.407 40.176 1.231 18521 16580 1 18 . 1 1 16 16 ASP H H 16 8.259 8.259 7.819 0.440 18521 16581 1 18 . 1 1 17 17 LYS N N 17 118.806 118.806 120.349 -1.543 18521 16582 1 18 . 1 1 17 17 LYS HA H 17 4.047 4.047 4.126 -0.079 18521 16583 1 18 . 1 1 17 17 LYS C C 17 178.432 178.432 177.790 0.642 18521 16584 1 18 . 1 1 17 17 LYS CA C 17 59.018 59.018 58.995 0.023 18521 16585 1 18 . 1 1 17 17 LYS CB C 17 32.592 32.592 32.671 -0.079 18521 16586 1 18 . 1 1 17 17 LYS H H 17 7.842 7.842 7.631 0.211 18521 16587 1 18 . 1 1 18 18 VAL N N 18 110.416 110.416 117.396 -6.980 18521 16588 1 18 . 1 1 18 18 VAL HA H 18 4.523 4.523 4.071 0.452 18521 16589 1 18 . 1 1 18 18 VAL C C 18 176.089 176.089 175.955 0.134 18521 16590 1 18 . 1 1 18 18 VAL CA C 18 60.797 60.797 62.827 -2.030 18521 16591 1 18 . 1 1 18 18 VAL CB C 18 31.194 31.194 32.010 -0.815 18521 16592 1 18 . 1 1 18 18 VAL H H 18 7.198 7.198 7.356 -0.158 18521 16593 1 18 . 1 1 19 19 GLY N N 19 109.008 109.008 108.047 0.961 18521 16594 1 18 . 1 1 19 19 GLY C C 19 175.070 175.070 174.482 0.588 18521 16595 1 18 . 1 1 19 19 GLY CA C 19 45.842 45.842 45.333 0.509 18521 16596 1 18 . 1 1 19 19 GLY H H 19 7.731 7.731 7.744 -0.013 18521 16597 1 18 . 1 1 20 20 LEU N N 20 125.244 125.244 123.057 2.187 18521 16598 1 18 . 1 1 20 20 LEU HA H 20 4.938 4.938 4.618 0.320 18521 16599 1 18 . 1 1 20 20 LEU C C 20 177.890 177.890 176.896 0.994 18521 16600 1 18 . 1 1 20 20 LEU CA C 20 52.674 52.674 53.236 -0.562 18521 16601 1 18 . 1 1 20 20 LEU CB C 20 40.239 40.239 40.159 0.080 18521 16602 1 18 . 1 1 20 20 LEU H H 20 8.102 8.102 8.256 -0.154 18521 16603 1 18 . 1 1 21 21 GLY N N 21 108.031 108.031 109.903 -1.872 18521 16604 1 18 . 1 1 21 21 GLY C C 21 176.174 176.174 175.881 0.293 18521 16605 1 18 . 1 1 21 21 GLY CA C 21 47.352 47.352 47.359 -0.007 18521 16606 1 18 . 1 1 21 21 GLY H H 21 8.046 8.046 8.013 0.033 18521 16607 1 18 . 1 1 22 22 ILE N N 22 121.173 121.173 121.986 -0.813 18521 16608 1 18 . 1 1 22 22 ILE HA H 22 3.944 3.944 3.733 0.211 18521 16609 1 18 . 1 1 22 22 ILE C C 22 176.119 176.119 177.638 -1.519 18521 16610 1 18 . 1 1 22 22 ILE CA C 22 61.179 61.179 64.726 -3.547 18521 16611 1 18 . 1 1 22 22 ILE CB C 22 35.934 35.934 37.840 -1.906 18521 16612 1 18 . 1 1 22 22 ILE H H 22 8.395 8.395 8.062 0.333 18521 16613 1 18 . 1 1 23 23 ILE N N 23 120.647 120.647 120.030 0.617 18521 16614 1 18 . 1 1 23 23 ILE HA H 23 3.713 3.713 3.770 -0.057 18521 16615 1 18 . 1 1 23 23 ILE C C 23 178.458 178.458 178.583 -0.125 18521 16616 1 18 . 1 1 23 23 ILE CA C 23 64.266 64.266 62.467 1.799 18521 16617 1 18 . 1 1 23 23 ILE CB C 23 36.272 36.272 36.107 0.165 18521 16618 1 18 . 1 1 23 23 ILE H H 23 6.824 6.824 7.322 -0.498 18521 16619 1 18 . 1 1 24 24 GLY N N 24 103.326 103.326 107.814 -4.488 18521 16620 1 18 . 1 1 24 24 GLY C C 24 174.914 174.914 175.626 -0.712 18521 16621 1 18 . 1 1 24 24 GLY CA C 24 47.998 47.998 47.028 0.970 18521 16622 1 18 . 1 1 24 24 GLY H H 24 7.412 7.412 7.731 -0.319 18521 16623 1 18 . 1 1 25 25 TYR N N 25 124.188 124.188 124.159 0.029 18521 16624 1 18 . 1 1 25 25 TYR HA H 25 3.734 3.734 3.745 -0.011 18521 16625 1 18 . 1 1 25 25 TYR C C 25 176.055 176.055 177.191 -1.136 18521 16626 1 18 . 1 1 25 25 TYR CA C 25 60.962 60.962 60.683 0.279 18521 16627 1 18 . 1 1 25 25 TYR CB C 25 37.888 37.888 37.685 0.203 18521 16628 1 18 . 1 1 25 25 TYR H H 25 7.861 7.861 8.250 -0.389 18521 16629 1 18 . 1 1 26 26 TYR N N 26 117.390 117.390 117.363 0.027 18521 16630 1 18 . 1 1 26 26 TYR HA H 26 3.881 3.881 3.888 -0.007 18521 16631 1 18 . 1 1 26 26 TYR C C 26 178.653 178.653 177.949 0.704 18521 16632 1 18 . 1 1 26 26 TYR CA C 26 64.270 64.270 62.490 1.780 18521 16633 1 18 . 1 1 26 26 TYR CB C 26 37.453 37.453 38.218 -0.765 18521 16634 1 18 . 1 1 26 26 TYR H H 26 7.594 7.594 7.647 -0.053 18521 16635 1 18 . 1 1 27 27 LEU N N 27 118.536 118.536 119.857 -1.321 18521 16636 1 18 . 1 1 27 27 LEU HA H 27 4.277 4.277 3.824 0.453 18521 16637 1 18 . 1 1 27 27 LEU C C 27 179.025 179.025 179.082 -0.057 18521 16638 1 18 . 1 1 27 27 LEU CA C 27 58.382 58.382 58.011 0.371 18521 16639 1 18 . 1 1 27 27 LEU CB C 27 42.595 42.595 41.137 1.458 18521 16640 1 18 . 1 1 27 27 LEU H H 27 8.226 8.226 7.814 0.412 18521 16641 1 18 . 1 1 28 28 GLN N N 28 119.110 119.110 118.008 1.102 18521 16642 1 18 . 1 1 28 28 GLN HA H 28 3.665 3.665 3.823 -0.158 18521 16643 1 18 . 1 1 28 28 GLN C C 28 177.406 177.406 178.366 -0.960 18521 16644 1 18 . 1 1 28 28 GLN CA C 28 60.626 60.626 59.028 1.598 18521 16645 1 18 . 1 1 28 28 GLN CB C 28 28.959 28.959 28.528 0.431 18521 16646 1 18 . 1 1 28 28 GLN H H 28 8.007 8.007 8.281 -0.274 18521 16647 1 18 . 1 1 29 29 LEU N N 29 121.623 121.623 120.794 0.829 18521 16648 1 18 . 1 1 29 29 LEU HA H 29 3.718 3.718 3.848 -0.130 18521 16649 1 18 . 1 1 29 29 LEU C C 29 179.706 179.706 177.994 1.712 18521 16650 1 18 . 1 1 29 29 LEU CA C 29 58.382 58.382 57.412 0.970 18521 16651 1 18 . 1 1 29 29 LEU CB C 29 42.114 42.114 41.394 0.720 18521 16652 1 18 . 1 1 29 29 LEU H H 29 7.938 7.938 7.259 0.679 18521 16653 1 18 . 1 1 30 30 TYR N N 30 120.084 120.084 120.437 -0.353 18521 16654 1 18 . 1 1 30 30 TYR HA H 30 4.132 4.132 3.803 0.329 18521 16655 1 18 . 1 1 30 30 TYR C C 30 175.611 175.611 176.958 -1.347 18521 16656 1 18 . 1 1 30 30 TYR CA C 30 58.951 58.951 60.959 -2.008 18521 16657 1 18 . 1 1 30 30 TYR CB C 30 39.302 39.302 37.975 1.327 18521 16658 1 18 . 1 1 30 30 TYR H H 30 7.974 7.974 8.214 -0.240 18521 16659 1 18 . 1 1 31 31 ALA N N 31 121.802 121.802 121.098 0.704 18521 16660 1 18 . 1 1 31 31 ALA HA H 31 3.343 3.343 3.634 -0.291 18521 16661 1 18 . 1 1 31 31 ALA C C 31 178.911 178.911 178.985 -0.074 18521 16662 1 18 . 1 1 31 31 ALA CA C 31 55.429 55.429 55.000 0.429 18521 16663 1 18 . 1 1 31 31 ALA CB C 31 17.895 17.895 18.160 -0.265 18521 16664 1 18 . 1 1 31 31 ALA H H 31 8.504 8.504 8.414 0.090 18521 16665 1 18 . 1 1 32 32 VAL N N 32 116.528 116.528 118.540 -2.012 18521 16666 1 18 . 1 1 32 32 VAL HA H 32 3.249 3.249 3.462 -0.213 18521 16667 1 18 . 1 1 32 32 VAL C C 32 176.963 176.963 177.953 -0.990 18521 16668 1 18 . 1 1 32 32 VAL CA C 32 67.723 67.723 66.818 0.905 18521 16669 1 18 . 1 1 32 32 VAL CB C 32 31.403 31.403 31.055 0.348 18521 16670 1 18 . 1 1 32 32 VAL H H 32 8.027 8.027 7.683 0.344 18521 16671 1 18 . 1 1 33 33 GLU N N 33 118.609 118.609 118.934 -0.325 18521 16672 1 18 . 1 1 33 33 GLU HA H 33 3.804 3.804 4.023 -0.219 18521 16673 1 18 . 1 1 33 33 GLU C C 33 180.234 180.234 179.343 0.891 18521 16674 1 18 . 1 1 33 33 GLU CA C 33 59.446 59.446 58.907 0.539 18521 16675 1 18 . 1 1 33 33 GLU CB C 33 28.711 28.711 29.079 -0.368 18521 16676 1 18 . 1 1 33 33 GLU H H 33 7.299 7.299 7.562 -0.263 18521 16677 1 18 . 1 1 34 34 LEU N N 34 120.831 120.831 120.440 0.391 18521 16678 1 18 . 1 1 34 34 LEU HA H 34 3.702 3.702 3.896 -0.194 18521 16679 1 18 . 1 1 34 34 LEU C C 34 180.024 180.024 178.519 1.505 18521 16680 1 18 . 1 1 34 34 LEU CA C 34 57.815 57.815 58.029 -0.214 18521 16681 1 18 . 1 1 34 34 LEU CB C 34 42.097 42.097 41.465 0.632 18521 16682 1 18 . 1 1 34 34 LEU H H 34 8.168 8.168 7.206 0.962 18521 16683 1 18 . 1 1 35 35 ILE N N 35 120.733 120.733 117.484 3.249 18521 16684 1 18 . 1 1 35 35 ILE HA H 35 3.589 3.589 3.661 -0.072 18521 16685 1 18 . 1 1 35 35 ILE C C 35 178.501 178.501 178.992 -0.491 18521 16686 1 18 . 1 1 35 35 ILE CA C 35 65.363 65.363 64.726 0.637 18521 16687 1 18 . 1 1 35 35 ILE CB C 35 38.960 38.960 38.216 0.744 18521 16688 1 18 . 1 1 35 35 ILE H H 35 8.064 8.064 7.361 0.703 18521 16689 1 18 . 1 1 36 36 LEU N N 36 115.519 115.519 119.669 -4.150 18521 16690 1 18 . 1 1 36 36 LEU HA H 36 3.958 3.958 3.970 -0.012 18521 16691 1 18 . 1 1 36 36 LEU C C 36 178.244 178.244 178.237 0.007 18521 16692 1 18 . 1 1 36 36 LEU CA C 36 56.069 56.069 57.474 -1.405 18521 16693 1 18 . 1 1 36 36 LEU CB C 36 40.528 40.528 41.733 -1.205 18521 16694 1 18 . 1 1 36 36 LEU H H 36 8.370 8.370 7.811 0.559 18521 16695 1 18 . 1 1 37 37 SER N N 37 113.976 113.976 110.825 3.151 18521 16696 1 18 . 1 1 37 37 SER HA H 37 4.197 4.197 4.316 -0.119 18521 16697 1 18 . 1 1 37 37 SER C C 37 173.934 173.934 173.869 0.065 18521 16698 1 18 . 1 1 37 37 SER CA C 37 60.204 60.204 58.998 1.206 18521 16699 1 18 . 1 1 37 37 SER CB C 37 63.507 63.507 63.505 0.002 18521 16700 1 18 . 1 1 37 37 SER H H 37 7.523 7.523 8.032 -0.509 18521 16701 1 18 . 1 1 38 38 GLU N N 38 123.219 123.219 121.678 1.541 18521 16702 1 18 . 1 1 38 38 GLU HA H 38 4.426 4.426 4.387 0.039 18521 16703 1 18 . 1 1 38 38 GLU C C 38 175.767 175.767 176.255 -0.488 18521 16704 1 18 . 1 1 38 38 GLU CA C 38 55.046 55.046 55.367 -0.321 18521 16705 1 18 . 1 1 38 38 GLU CB C 38 30.395 30.395 30.902 -0.507 18521 16706 1 18 . 1 1 38 38 GLU H H 38 7.185 7.185 7.516 -0.331 18521 16707 1 18 . 1 1 39 39 GLU N N 39 126.955 126.955 124.380 2.575 18521 16708 1 18 . 1 1 39 39 GLU HA H 39 3.985 3.985 4.044 -0.059 18521 16709 1 18 . 1 1 39 39 GLU C C 39 176.861 176.861 175.900 0.961 18521 16710 1 18 . 1 1 39 39 GLU CA C 39 58.331 58.331 58.469 -0.138 18521 16711 1 18 . 1 1 39 39 GLU CB C 39 30.008 30.008 29.888 0.120 18521 16712 1 18 . 1 1 39 39 GLU H H 39 8.632 8.632 8.752 -0.120 18521 16713 1 18 . 1 1 40 40 ASP N N 40 119.763 119.763 119.803 -0.040 18521 16714 1 18 . 1 1 40 40 ASP HA H 40 4.616 4.616 4.721 -0.105 18521 16715 1 18 . 1 1 40 40 ASP C C 40 174.989 174.989 175.324 -0.335 18521 16716 1 18 . 1 1 40 40 ASP CA C 40 53.281 53.281 53.907 -0.626 18521 16717 1 18 . 1 1 40 40 ASP CB C 40 39.814 39.814 40.698 -0.884 18521 16718 1 18 . 1 1 40 40 ASP H H 40 8.560 8.560 8.128 0.432 18521 16719 1 18 . 1 1 41 41 ARG N N 41 119.595 119.595 122.281 -2.686 18521 16720 1 18 . 1 1 41 41 ARG HA H 41 4.390 4.390 4.548 -0.158 18521 16721 1 18 . 1 1 41 41 ARG C C 41 175.553 175.553 174.599 0.954 18521 16722 1 18 . 1 1 41 41 ARG CA C 41 54.707 54.707 55.313 -0.606 18521 16723 1 18 . 1 1 41 41 ARG CB C 41 31.865 31.865 33.994 -2.129 18521 16724 1 18 . 1 1 41 41 ARG H H 41 7.443 7.443 8.505 -1.062 18521 16725 1 18 . 1 1 42 42 SER N N 42 119.463 119.463 118.165 1.298 18521 16726 1 18 . 1 1 42 42 SER HA H 42 4.381 4.381 4.790 -0.409 18521 16727 1 18 . 1 1 42 42 SER C C 42 175.361 175.361 174.995 0.366 18521 16728 1 18 . 1 1 42 42 SER CA C 42 57.137 57.137 56.173 0.964 18521 16729 1 18 . 1 1 42 42 SER CB C 42 65.166 65.166 65.184 -0.018 18521 16730 1 18 . 1 1 42 42 SER H H 42 8.556 8.556 8.343 0.213 18521 16731 1 18 . 1 1 43 43 GLN N N 43 122.535 122.535 122.642 -0.107 18521 16732 1 18 . 1 1 43 43 GLN HA H 43 4.018 4.018 3.967 0.051 18521 16733 1 18 . 1 1 43 43 GLN C C 43 178.768 178.768 178.338 0.430 18521 16734 1 18 . 1 1 43 43 GLN CA C 43 59.073 59.073 59.400 -0.327 18521 16735 1 18 . 1 1 43 43 GLN CB C 43 27.871 27.871 28.696 -0.825 18521 16736 1 18 . 1 1 43 43 GLN H H 43 9.087 9.087 8.813 0.274 18521 16737 1 18 . 1 1 44 44 GLU N N 44 120.308 120.308 120.054 0.254 18521 16738 1 18 . 1 1 44 44 GLU HA H 44 3.982 3.982 4.157 -0.175 18521 16739 1 18 . 1 1 44 44 GLU C C 44 179.737 179.737 178.812 0.925 18521 16740 1 18 . 1 1 44 44 GLU CA C 44 60.142 60.142 59.229 0.913 18521 16741 1 18 . 1 1 44 44 GLU CB C 44 28.801 28.801 29.358 -0.557 18521 16742 1 18 . 1 1 44 44 GLU H H 44 8.958 8.958 8.669 0.289 18521 16743 1 18 . 1 1 45 45 MET N N 45 120.968 120.968 117.825 3.143 18521 16744 1 18 . 1 1 45 45 MET HA H 45 4.432 4.432 4.165 0.267 18521 16745 1 18 . 1 1 45 45 MET C C 45 178.153 178.153 178.720 -0.567 18521 16746 1 18 . 1 1 45 45 MET CA C 45 57.117 57.117 58.812 -1.695 18521 16747 1 18 . 1 1 45 45 MET CB C 45 32.517 32.517 32.648 -0.131 18521 16748 1 18 . 1 1 45 45 MET H H 45 7.740 7.740 7.965 -0.225 18521 16749 1 18 . 1 1 46 46 THR N N 46 120.159 120.159 116.415 3.744 18521 16750 1 18 . 1 1 46 46 THR HA H 46 3.620 3.620 3.894 -0.274 18521 16751 1 18 . 1 1 46 46 THR C C 46 176.389 176.389 176.262 0.127 18521 16752 1 18 . 1 1 46 46 THR CA C 46 67.416 67.416 66.918 0.498 18521 16753 1 18 . 1 1 46 46 THR CB C 46 68.208 68.208 68.715 -0.507 18521 16754 1 18 . 1 1 46 46 THR H H 46 8.190 8.190 8.627 -0.437 18521 16755 1 18 . 1 1 47 47 ALA N N 47 124.729 124.729 123.956 0.773 18521 16756 1 18 . 1 1 47 47 ALA HA H 47 4.060 4.060 4.124 -0.064 18521 16757 1 18 . 1 1 47 47 ALA C C 47 179.554 179.554 179.123 0.431 18521 16758 1 18 . 1 1 47 47 ALA CA C 47 55.195 55.195 54.890 0.305 18521 16759 1 18 . 1 1 47 47 ALA CB C 47 17.654 17.654 18.333 -0.679 18521 16760 1 18 . 1 1 47 47 ALA H H 47 8.292 8.292 7.832 0.460 18521 16761 1 18 . 1 1 48 48 LEU N N 48 122.244 122.244 120.827 1.417 18521 16762 1 18 . 1 1 48 48 LEU HA H 48 4.195 4.195 4.061 0.134 18521 16763 1 18 . 1 1 48 48 LEU C C 48 178.022 178.022 178.499 -0.477 18521 16764 1 18 . 1 1 48 48 LEU CA C 48 57.695 57.695 57.504 0.191 18521 16765 1 18 . 1 1 48 48 LEU CB C 48 41.236 41.236 41.680 -0.444 18521 16766 1 18 . 1 1 48 48 LEU H H 48 7.723 7.723 7.782 -0.059 18521 16767 1 18 . 1 1 49 49 ALA N N 49 120.883 120.883 120.452 0.431 18521 16768 1 18 . 1 1 49 49 ALA HA H 49 3.854 3.854 3.909 -0.055 18521 16769 1 18 . 1 1 49 49 ALA C C 49 178.770 178.770 179.419 -0.649 18521 16770 1 18 . 1 1 49 49 ALA CA C 49 55.836 55.836 55.105 0.731 18521 16771 1 18 . 1 1 49 49 ALA CB C 49 17.137 17.137 18.306 -1.169 18521 16772 1 18 . 1 1 49 49 ALA H H 49 8.210 8.210 7.914 0.296 18521 16773 1 18 . 1 1 50 50 THR N N 50 113.676 113.676 115.526 -1.850 18521 16774 1 18 . 1 1 50 50 THR HA H 50 3.765 3.765 3.818 -0.053 18521 16775 1 18 . 1 1 50 50 THR C C 50 175.836 175.836 176.425 -0.589 18521 16776 1 18 . 1 1 50 50 THR CA C 50 66.975 66.975 67.400 -0.425 18521 16777 1 18 . 1 1 50 50 THR CB C 50 68.976 68.976 68.700 0.276 18521 16778 1 18 . 1 1 50 50 THR H H 50 7.891 7.891 7.568 0.323 18521 16779 1 18 . 1 1 51 51 GLU N N 51 123.445 123.445 121.844 1.601 18521 16780 1 18 . 1 1 51 51 GLU HA H 51 4.221 4.221 4.011 0.210 18521 16781 1 18 . 1 1 51 51 GLU C C 51 179.906 179.906 178.878 1.028 18521 16782 1 18 . 1 1 51 51 GLU CA C 51 59.436 59.436 59.408 0.028 18521 16783 1 18 . 1 1 51 51 GLU CB C 51 29.498 29.498 29.608 -0.110 18521 16784 1 18 . 1 1 51 51 GLU H H 51 7.877 7.877 7.742 0.135 18521 16785 1 18 . 1 1 52 52 LEU N N 52 121.629 121.629 119.148 2.481 18521 16786 1 18 . 1 1 52 52 LEU HA H 52 3.907 3.907 4.032 -0.125 18521 16787 1 18 . 1 1 52 52 LEU C C 52 178.993 178.993 179.157 -0.164 18521 16788 1 18 . 1 1 52 52 LEU CA C 52 57.840 57.840 57.506 0.334 18521 16789 1 18 . 1 1 52 52 LEU CB C 52 42.076 42.076 41.770 0.306 18521 16790 1 18 . 1 1 52 52 LEU H H 52 8.670 8.670 7.428 1.242 18521 16791 1 18 . 1 1 53 53 LEU N N 53 119.996 119.996 119.787 0.209 18521 16792 1 18 . 1 1 53 53 LEU HA H 53 3.949 3.949 3.786 0.163 18521 16793 1 18 . 1 1 53 53 LEU C C 53 179.950 179.950 178.944 1.006 18521 16794 1 18 . 1 1 53 53 LEU CA C 53 58.480 58.480 58.011 0.469 18521 16795 1 18 . 1 1 53 53 LEU CB C 53 41.341 41.341 41.030 0.311 18521 16796 1 18 . 1 1 53 53 LEU H H 53 8.336 8.336 7.529 0.807 18521 16797 1 18 . 1 1 54 54 ASP N N 54 120.632 120.632 118.629 2.003 18521 16798 1 18 . 1 1 54 54 ASP HA H 54 4.409 4.409 4.404 0.005 18521 16799 1 18 . 1 1 54 54 ASP C C 54 179.383 179.383 178.592 0.791 18521 16800 1 18 . 1 1 54 54 ASP CA C 54 57.510 57.510 57.121 0.389 18521 16801 1 18 . 1 1 54 54 ASP CB C 54 40.275 40.275 40.593 -0.318 18521 16802 1 18 . 1 1 54 54 ASP H H 54 7.884 7.884 7.755 0.129 18521 16803 1 18 . 1 1 55 55 THR N N 55 121.006 121.006 117.261 3.745 18521 16804 1 18 . 1 1 55 55 THR HA H 55 3.923 3.923 4.090 -0.167 18521 16805 1 18 . 1 1 55 55 THR C C 55 177.066 177.066 176.966 0.100 18521 16806 1 18 . 1 1 55 55 THR CA C 55 67.018 67.018 66.837 0.181 18521 16807 1 18 . 1 1 55 55 THR CB C 55 68.725 68.725 68.592 0.133 18521 16808 1 18 . 1 1 55 55 THR H H 55 8.279 8.279 7.466 0.813 18521 16809 1 18 . 1 1 56 56 ILE N N 56 125.465 125.465 122.877 2.588 18521 16810 1 18 . 1 1 56 56 ILE HA H 56 3.748 3.748 3.822 -0.074 18521 16811 1 18 . 1 1 56 56 ILE C C 56 177.879 177.879 177.876 0.003 18521 16812 1 18 . 1 1 56 56 ILE CA C 56 65.765 65.765 65.980 -0.214 18521 16813 1 18 . 1 1 56 56 ILE CB C 56 38.646 38.646 37.782 0.863 18521 16814 1 18 . 1 1 56 56 ILE H H 56 8.872 8.872 8.540 0.332 18521 16815 1 18 . 1 1 57 57 GLU N N 57 119.951 119.951 120.004 -0.053 18521 16816 1 18 . 1 1 57 57 GLU HA H 57 4.034 4.034 3.940 0.094 18521 16817 1 18 . 1 1 57 57 GLU C C 57 179.357 179.357 178.804 0.553 18521 16818 1 18 . 1 1 57 57 GLU CA C 57 59.241 59.241 59.755 -0.514 18521 16819 1 18 . 1 1 57 57 GLU CB C 57 29.226 29.226 29.736 -0.510 18521 16820 1 18 . 1 1 57 57 GLU H H 57 8.024 8.024 7.965 0.059 18521 16821 1 18 . 1 1 58 58 ALA N N 58 122.402 122.402 122.381 0.021 18521 16822 1 18 . 1 1 58 58 ALA HA H 58 4.044 4.044 4.117 -0.073 18521 16823 1 18 . 1 1 58 58 ALA C C 58 180.049 180.049 179.687 0.362 18521 16824 1 18 . 1 1 58 58 ALA CA C 58 55.167 55.167 55.061 0.106 18521 16825 1 18 . 1 1 58 58 ALA CB C 58 17.836 17.836 18.296 -0.460 18521 16826 1 18 . 1 1 58 58 ALA H H 58 8.026 8.026 8.293 -0.267 18521 16827 1 18 . 1 1 59 59 PHE N N 59 122.034 122.034 120.445 1.589 18521 16828 1 18 . 1 1 59 59 PHE HA H 59 4.165 4.165 4.210 -0.045 18521 16829 1 18 . 1 1 59 59 PHE C C 59 177.169 177.169 177.255 -0.086 18521 16830 1 18 . 1 1 59 59 PHE CA C 59 61.373 61.373 61.302 0.071 18521 16831 1 18 . 1 1 59 59 PHE CB C 59 39.384 39.384 39.689 -0.305 18521 16832 1 18 . 1 1 59 59 PHE H H 59 8.243 8.243 8.883 -0.640 18521 16833 1 18 . 1 1 60 60 LYS N N 60 117.415 117.415 119.596 -2.181 18521 16834 1 18 . 1 1 60 60 LYS HA H 60 3.490 3.490 3.637 -0.147 18521 16835 1 18 . 1 1 60 60 LYS C C 60 179.705 179.705 178.420 1.285 18521 16836 1 18 . 1 1 60 60 LYS CA C 60 60.051 60.051 59.434 0.618 18521 16837 1 18 . 1 1 60 60 LYS CB C 60 32.376 32.376 32.433 -0.057 18521 16838 1 18 . 1 1 60 60 LYS H H 60 7.978 7.978 8.618 -0.640 18521 16839 1 18 . 1 1 61 61 LYS N N 61 119.540 119.540 118.810 0.730 18521 16840 1 18 . 1 1 61 61 LYS HA H 61 3.942 3.942 3.949 -0.007 18521 16841 1 18 . 1 1 61 61 LYS C C 61 178.728 178.728 178.604 0.124 18521 16842 1 18 . 1 1 61 61 LYS CA C 61 58.878 58.878 59.596 -0.718 18521 16843 1 18 . 1 1 61 61 LYS CB C 61 32.626 32.626 32.255 0.371 18521 16844 1 18 . 1 1 61 61 LYS H H 61 7.853 7.853 8.189 -0.336 18521 16845 1 18 . 1 1 62 62 GLU N N 62 121.166 121.166 116.466 4.700 18521 16846 1 18 . 1 1 62 62 GLU HA H 62 3.933 3.933 4.042 -0.109 18521 16847 1 18 . 1 1 62 62 GLU C C 62 178.405 178.405 177.249 1.156 18521 16848 1 18 . 1 1 62 62 GLU CA C 62 58.655 58.655 58.479 0.176 18521 16849 1 18 . 1 1 62 62 GLU CB C 62 29.439 29.439 29.647 -0.208 18521 16850 1 18 . 1 1 62 62 GLU H H 62 7.956 7.956 7.578 0.378 18521 16851 1 18 . 1 1 63 63 ILE N N 63 117.896 117.896 116.590 1.306 18521 16852 1 18 . 1 1 63 63 ILE HA H 63 3.707 3.707 4.193 -0.486 18521 16853 1 18 . 1 1 63 63 ILE C C 63 177.438 177.438 176.746 0.692 18521 16854 1 18 . 1 1 63 63 ILE CA C 63 61.473 61.473 60.338 1.135 18521 16855 1 18 . 1 1 63 63 ILE CB C 63 36.546 36.546 38.955 -2.409 18521 16856 1 18 . 1 1 63 63 ILE H H 63 7.652 7.652 7.251 0.401 18521 16857 1 18 . 1 1 64 64 GLY N N 64 108.028 108.028 109.580 -1.552 18521 16858 1 18 . 1 1 64 64 GLY C C 64 175.261 175.261 175.030 0.231 18521 16859 1 18 . 1 1 64 64 GLY CA C 64 45.891 45.891 46.984 -1.093 18521 16860 1 18 . 1 1 64 64 GLY H H 64 7.654 7.654 8.221 -0.567 18521 16861 1 18 . 1 1 65 65 GLY N N 65 108.488 108.488 107.266 1.222 18521 16862 1 18 . 1 1 65 65 GLY C C 65 174.844 174.844 174.961 -0.117 18521 16863 1 18 . 1 1 65 65 GLY CA C 65 45.608 45.608 45.070 0.538 18521 16864 1 18 . 1 1 65 65 GLY H H 65 7.817 7.817 8.193 -0.376 18521 16865 1 18 . 1 1 66 66 GLU N N 66 121.078 121.078 118.996 2.082 18521 16866 1 18 . 1 1 66 66 GLU HA H 66 4.167 4.167 4.114 0.053 18521 16867 1 18 . 1 1 66 66 GLU C C 66 177.218 177.218 176.702 0.516 18521 16868 1 18 . 1 1 66 66 GLU CA C 66 57.075 57.075 58.834 -1.759 18521 16869 1 18 . 1 1 66 66 GLU CB C 66 30.015 30.015 29.828 0.186 18521 16870 1 18 . 1 1 66 66 GLU H H 66 8.195 8.195 8.536 -0.341 18521 16871 1 18 . 1 1 67 67 SER N N 67 116.370 116.370 110.530 5.840 18521 16872 1 18 . 1 1 67 67 SER HA H 67 4.187 4.187 4.491 -0.304 18521 16873 1 18 . 1 1 67 67 SER C C 67 174.670 174.670 175.304 -0.634 18521 16874 1 18 . 1 1 67 67 SER CA C 67 58.875 58.875 60.041 -1.166 18521 16875 1 18 . 1 1 67 67 SER CB C 67 63.783 63.783 63.967 -0.184 18521 16876 1 18 . 1 1 67 67 SER H H 67 8.205 8.205 8.195 0.010 18521 16877 1 18 . 1 1 68 68 GLU N N 68 122.388 122.388 122.396 -0.008 18521 16878 1 18 . 1 1 68 68 GLU HA H 68 4.173 4.173 4.093 0.080 18521 16879 1 18 . 1 1 68 68 GLU C C 68 176.364 176.364 178.084 -1.720 18521 16880 1 18 . 1 1 68 68 GLU CA C 68 56.734 56.734 59.033 -2.299 18521 16881 1 18 . 1 1 68 68 GLU CB C 68 29.986 29.986 29.369 0.617 18521 16882 1 18 . 1 1 68 68 GLU H H 68 8.170 8.170 8.781 -0.611 18521 16883 1 18 . 1 1 69 69 ALA N N 69 124.265 124.265 121.381 2.884 18521 16884 1 18 . 1 1 69 69 ALA HA H 69 4.212 4.212 4.296 -0.084 18521 16885 1 18 . 1 1 69 69 ALA C C 69 178.042 178.042 178.659 -0.617 18521 16886 1 18 . 1 1 69 69 ALA CA C 69 52.468 52.468 54.515 -2.047 18521 16887 1 18 . 1 1 69 69 ALA CB C 69 19.411 19.411 18.222 1.189 18521 16888 1 18 . 1 1 69 69 ALA H H 69 7.931 7.931 8.136 -0.205 18521 16889 1 18 . 1 1 70 70 GLU N N 70 121.086 121.086 117.303 3.783 18521 16890 1 18 . 1 1 70 70 GLU HA H 70 4.110 4.110 3.970 0.140 18521 16891 1 18 . 1 1 70 70 GLU C C 70 180.047 180.047 178.154 1.893 18521 16892 1 18 . 1 1 70 70 GLU CA C 70 57.325 57.325 59.008 -1.683 18521 16893 1 18 . 1 1 70 70 GLU CB C 70 29.969 29.969 29.557 0.412 18521 16894 1 18 . 1 1 70 70 GLU H H 70 8.447 8.447 7.818 0.629 18521 16895 1 18 . 1 1 71 71 ASP N N 71 120.210 120.210 118.234 1.976 18521 16896 1 18 . 1 1 71 71 ASP HA H 71 4.545 4.545 4.496 0.049 18521 16897 1 18 . 1 1 71 71 ASP C C 71 176.385 176.385 176.642 -0.257 18521 16898 1 18 . 1 1 71 71 ASP CA C 71 54.149 54.149 56.275 -2.126 18521 16899 1 18 . 1 1 71 71 ASP CB C 71 40.756 40.756 41.190 -0.434 18521 16900 1 18 . 1 1 71 71 ASP H H 71 8.308 8.308 7.674 0.634 18521 16901 1 18 . 1 1 72 72 SER N N 72 116.137 116.137 112.741 3.396 18521 16902 1 18 . 1 1 72 72 SER HA H 72 4.259 4.259 4.651 -0.392 18521 16903 1 18 . 1 1 72 72 SER C C 72 174.578 174.578 173.283 1.295 18521 16904 1 18 . 1 1 72 72 SER CA C 72 58.851 58.851 58.233 0.618 18521 16905 1 18 . 1 1 72 72 SER CB C 72 63.870 63.870 64.005 -0.135 18521 16906 1 18 . 1 1 72 72 SER H H 72 7.954 7.954 7.810 0.144 18521 16907 1 18 . 1 1 73 73 ASP N N 73 122.500 122.500 122.903 -0.403 18521 16908 1 18 . 1 1 73 73 ASP HA H 73 4.534 4.534 4.637 -0.103 18521 16909 1 18 . 1 1 73 73 ASP C C 73 176.903 176.903 176.219 0.684 18521 16910 1 18 . 1 1 73 73 ASP CA C 73 54.442 54.442 54.549 -0.107 18521 16911 1 18 . 1 1 73 73 ASP CB C 73 41.253 41.253 40.637 0.616 18521 16912 1 18 . 1 1 73 73 ASP H H 73 8.384 8.384 8.827 -0.443 18521 16913 1 18 . 1 1 74 74 LYS N N 74 123.374 123.374 120.241 3.133 18521 16914 1 18 . 1 1 74 74 LYS HA H 74 4.099 4.099 4.234 -0.135 18521 16915 1 18 . 1 1 74 74 LYS C C 74 177.606 177.606 178.350 -0.744 18521 16916 1 18 . 1 1 74 74 LYS CA C 74 57.527 57.527 58.107 -0.580 18521 16917 1 18 . 1 1 74 74 LYS CB C 74 32.115 32.115 32.743 -0.628 18521 16918 1 18 . 1 1 74 74 LYS H H 74 8.338 8.338 7.932 0.406 18521 16919 1 18 . 1 1 75 75 SER N N 75 116.404 116.404 116.161 0.243 18521 16920 1 18 . 1 1 75 75 SER HA H 75 4.190 4.190 4.296 -0.106 18521 16921 1 18 . 1 1 75 75 SER C C 75 176.030 176.030 176.523 -0.493 18521 16922 1 18 . 1 1 75 75 SER CA C 75 60.560 60.560 61.076 -0.516 18521 16923 1 18 . 1 1 75 75 SER CB C 75 62.971 62.971 62.437 0.534 18521 16924 1 18 . 1 1 75 75 SER H H 75 8.409 8.409 8.288 0.121 18521 16925 1 18 . 1 1 76 76 LEU N N 76 123.753 123.753 123.360 0.393 18521 16926 1 18 . 1 1 76 76 LEU HA H 76 4.121 4.121 4.107 0.014 18521 16927 1 18 . 1 1 76 76 LEU C C 76 178.263 178.263 177.585 0.678 18521 16928 1 18 . 1 1 76 76 LEU CA C 76 56.665 56.665 57.447 -0.782 18521 16929 1 18 . 1 1 76 76 LEU CB C 76 41.538 41.538 41.622 -0.084 18521 16930 1 18 . 1 1 76 76 LEU H H 76 8.068 8.068 7.909 0.159 18521 16931 1 18 . 1 1 77 77 HIS N N 77 120.235 120.235 117.977 2.258 18521 16932 1 18 . 1 1 77 77 HIS HA H 77 4.372 4.372 4.172 0.200 18521 16933 1 18 . 1 1 77 77 HIS C C 77 177.974 177.974 177.051 0.923 18521 16934 1 18 . 1 1 77 77 HIS CA C 77 58.504 58.504 59.835 -1.331 18521 16935 1 18 . 1 1 77 77 HIS CB C 77 30.124 30.124 29.477 0.647 18521 16936 1 18 . 1 1 77 77 HIS H H 77 7.955 7.955 8.187 -0.232 18521 16937 1 18 . 1 1 78 78 VAL N N 78 121.721 121.721 120.358 1.363 18521 16938 1 18 . 1 1 78 78 VAL HA H 78 3.612 3.612 3.660 -0.048 18521 16939 1 18 . 1 1 78 78 VAL C C 78 177.688 177.688 177.796 -0.108 18521 16940 1 18 . 1 1 78 78 VAL CA C 78 65.817 65.817 65.896 -0.079 18521 16941 1 18 . 1 1 78 78 VAL CB C 78 31.729 31.729 31.409 0.320 18521 16942 1 18 . 1 1 78 78 VAL H H 78 7.953 7.953 7.472 0.481 18521 16943 1 18 . 1 1 79 79 MET N N 79 119.138 119.138 118.645 0.493 18521 16944 1 18 . 1 1 79 79 MET HA H 79 3.879 3.879 3.980 -0.101 18521 16945 1 18 . 1 1 79 79 MET C C 79 180.609 180.609 177.884 2.725 18521 16946 1 18 . 1 1 79 79 MET CA C 79 59.210 59.210 59.185 0.025 18521 16947 1 18 . 1 1 79 79 MET CB C 79 34.157 34.157 32.271 1.886 18521 16948 1 18 . 1 1 79 79 MET H H 79 8.132 8.132 7.952 0.180 18521 16949 1 18 . 1 1 80 80 ASN N N 80 117.000 117.000 117.039 -0.039 18521 16950 1 18 . 1 1 80 80 ASN HA H 80 4.161 4.161 4.515 -0.354 18521 16951 1 18 . 1 1 80 80 ASN C C 80 178.212 178.212 176.949 1.263 18521 16952 1 18 . 1 1 80 80 ASN CA C 80 56.827 56.827 56.863 -0.036 18521 16953 1 18 . 1 1 80 80 ASN CB C 80 38.920 38.920 37.920 1.000 18521 16954 1 18 . 1 1 80 80 ASN H H 80 8.195 8.195 8.464 -0.269 18521 16955 1 18 . 1 1 81 81 THR N N 81 116.021 116.021 117.506 -1.485 18521 16956 1 18 . 1 1 81 81 THR HA H 81 3.975 3.975 4.043 -0.068 18521 16957 1 18 . 1 1 81 81 THR C C 81 175.237 175.237 176.652 -1.415 18521 16958 1 18 . 1 1 81 81 THR CA C 81 66.507 66.507 66.908 -0.401 18521 16959 1 18 . 1 1 81 81 THR CB C 81 68.813 68.813 68.401 0.412 18521 16960 1 18 . 1 1 81 81 THR H H 81 7.952 7.952 7.867 0.085 18521 16961 1 18 . 1 1 82 82 LEU N N 82 119.041 119.041 120.818 -1.777 18521 16962 1 18 . 1 1 82 82 LEU HA H 82 4.040 4.040 4.025 0.015 18521 16963 1 18 . 1 1 82 82 LEU C C 82 177.541 177.541 178.731 -1.190 18521 16964 1 18 . 1 1 82 82 LEU CA C 82 56.468 56.468 58.084 -1.616 18521 16965 1 18 . 1 1 82 82 LEU CB C 82 42.247 42.247 41.532 0.715 18521 16966 1 18 . 1 1 82 82 LEU H H 82 7.655 7.655 7.625 0.030 18521 16967 1 18 . 1 1 83 83 ILE N N 83 118.063 118.063 116.546 1.517 18521 16968 1 18 . 1 1 83 83 ILE HA H 83 3.805 3.805 3.908 -0.103 18521 16969 1 18 . 1 1 83 83 ILE C C 83 176.681 176.681 177.575 -0.894 18521 16970 1 18 . 1 1 83 83 ILE CA C 83 63.188 63.188 64.075 -0.887 18521 16971 1 18 . 1 1 83 83 ILE CB C 83 37.939 37.939 38.167 -0.228 18521 16972 1 18 . 1 1 83 83 ILE H H 83 7.455 7.455 7.207 0.248 18521 16973 1 18 . 1 1 84 84 HIS N N 84 116.118 116.118 115.370 0.748 18521 16974 1 18 . 1 1 84 84 HIS HA H 84 4.568 4.568 4.468 0.100 18521 16975 1 18 . 1 1 84 84 HIS C C 84 175.568 175.568 175.679 -0.111 18521 16976 1 18 . 1 1 84 84 HIS CA C 84 58.425 58.425 58.842 -0.417 18521 16977 1 18 . 1 1 84 84 HIS CB C 84 31.801 31.801 30.846 0.955 18521 16978 1 18 . 1 1 84 84 HIS H H 84 7.168 7.168 8.460 -1.292 18521 16979 1 18 . 1 1 85 85 ASP N N 85 122.411 122.411 119.942 2.469 18521 16980 1 18 . 1 1 85 85 ASP HA H 85 4.546 4.546 4.725 -0.179 18521 16981 1 18 . 1 1 85 85 ASP C C 85 175.527 175.527 176.853 -1.326 18521 16982 1 18 . 1 1 85 85 ASP CA C 85 53.215 53.215 53.413 -0.198 18521 16983 1 18 . 1 1 85 85 ASP CB C 85 40.936 40.936 40.697 0.239 18521 16984 1 18 . 1 1 85 85 ASP H H 85 8.576 8.576 8.030 0.546 18521 16985 1 18 . 1 1 86 86 GLN N N 86 122.561 122.561 126.636 -4.075 18521 16986 1 18 . 1 1 86 86 GLN HA H 86 4.077 4.077 4.255 -0.178 18521 16987 1 18 . 1 1 86 86 GLN C C 86 178.518 178.518 178.252 0.266 18521 16988 1 18 . 1 1 86 86 GLN CA C 86 57.816 57.816 58.646 -0.830 18521 16989 1 18 . 1 1 86 86 GLN CB C 86 29.165 29.165 28.829 0.336 18521 16990 1 18 . 1 1 86 86 GLN H H 86 8.715 8.715 8.416 0.299 18521 16991 1 18 . 1 1 87 87 GLU N N 87 121.616 121.616 120.302 1.314 18521 16992 1 18 . 1 1 87 87 GLU HA H 87 4.042 4.042 3.703 0.339 18521 16993 1 18 . 1 1 87 87 GLU C C 87 178.154 178.154 178.199 -0.045 18521 16994 1 18 . 1 1 87 87 GLU CA C 87 59.051 59.051 59.613 -0.562 18521 16995 1 18 . 1 1 87 87 GLU CB C 87 29.231 29.231 28.997 0.234 18521 16996 1 18 . 1 1 87 87 GLU H H 87 8.073 8.073 7.872 0.201 18521 16997 1 18 . 1 1 88 88 LYS N N 88 119.006 119.006 119.265 -0.259 18521 16998 1 18 . 1 1 88 88 LYS HA H 88 3.754 3.754 4.039 -0.285 18521 16999 1 18 . 1 1 88 88 LYS C C 88 177.129 177.129 178.592 -1.463 18521 17000 1 18 . 1 1 88 88 LYS CA C 88 59.721 59.721 59.167 0.554 18521 17001 1 18 . 1 1 88 88 LYS CB C 88 32.253 32.253 32.219 0.034 18521 17002 1 18 . 1 1 88 88 LYS H H 88 7.525 7.525 8.364 -0.839 18521 17003 1 18 . 1 1 89 89 ALA N N 89 121.945 121.945 121.494 0.451 18521 17004 1 18 . 1 1 89 89 ALA HA H 89 3.734 3.734 4.027 -0.293 18521 17005 1 18 . 1 1 89 89 ALA C C 89 177.545 177.545 178.992 -1.447 18521 17006 1 18 . 1 1 89 89 ALA CA C 89 55.977 55.977 55.185 0.792 18521 17007 1 18 . 1 1 89 89 ALA CB C 89 18.763 18.763 18.017 0.746 18521 17008 1 18 . 1 1 89 89 ALA H H 89 8.472 8.472 7.890 0.582 18521 17009 1 18 . 1 1 90 90 LYS N N 90 117.743 117.743 119.138 -1.395 18521 17010 1 18 . 1 1 90 90 LYS HA H 90 4.015 4.015 2.706 1.309 18521 17011 1 18 . 1 1 90 90 LYS C C 90 177.667 177.667 178.570 -0.903 18521 17012 1 18 . 1 1 90 90 LYS CA C 90 58.703 58.703 58.516 0.187 18521 17013 1 18 . 1 1 90 90 LYS CB C 90 32.779 32.779 31.387 1.392 18521 17014 1 18 . 1 1 90 90 LYS H H 90 6.684 6.684 7.411 -0.727 18521 17015 1 18 . 1 1 91 91 ILE N N 91 117.216 117.216 118.929 -1.713 18521 17016 1 18 . 1 1 91 91 ILE HA H 91 3.414 3.414 3.589 -0.175 18521 17017 1 18 . 1 1 91 91 ILE C C 91 178.422 178.422 177.835 0.587 18521 17018 1 18 . 1 1 91 91 ILE CA C 91 64.094 64.094 65.133 -1.039 18521 17019 1 18 . 1 1 91 91 ILE CB C 91 37.481 37.481 37.808 -0.327 18521 17020 1 18 . 1 1 91 91 ILE H H 91 7.196 7.196 7.307 -0.111 18521 17021 1 18 . 1 1 92 92 TYR N N 92 122.201 122.201 121.119 1.082 18521 17022 1 18 . 1 1 92 92 TYR HA H 92 4.047 4.047 4.112 -0.065 18521 17023 1 18 . 1 1 92 92 TYR C C 92 177.726 177.726 177.454 0.272 18521 17024 1 18 . 1 1 92 92 TYR CA C 92 61.771 61.771 61.845 -0.074 18521 17025 1 18 . 1 1 92 92 TYR CB C 92 39.295 39.295 38.464 0.831 18521 17026 1 18 . 1 1 92 92 TYR H H 92 8.466 8.466 7.753 0.713 18521 17027 1 18 . 1 1 93 93 MET N N 93 117.420 117.420 119.703 -2.283 18521 17028 1 18 . 1 1 93 93 MET HA H 93 3.896 3.896 4.019 -0.123 18521 17029 1 18 . 1 1 93 93 MET C C 93 180.221 180.221 177.807 2.414 18521 17030 1 18 . 1 1 93 93 MET CA C 93 57.586 57.586 58.148 -0.562 18521 17031 1 18 . 1 1 93 93 MET CB C 93 30.854 30.854 32.260 -1.406 18521 17032 1 18 . 1 1 93 93 MET H H 93 8.269 8.269 8.760 -0.491 18521 17033 1 18 . 1 1 94 94 LEU N N 94 125.183 125.183 120.229 4.954 18521 17034 1 18 . 1 1 94 94 LEU HA H 94 3.826 3.826 3.884 -0.058 18521 17035 1 18 . 1 1 94 94 LEU C C 94 177.787 177.787 178.187 -0.400 18521 17036 1 18 . 1 1 94 94 LEU CA C 94 58.729 58.729 58.483 0.246 18521 17037 1 18 . 1 1 94 94 LEU CB C 94 42.188 42.188 41.575 0.613 18521 17038 1 18 . 1 1 94 94 LEU H H 94 8.733 8.733 8.477 0.256 18521 17039 1 18 . 1 1 95 95 ASN N N 95 121.517 121.517 118.450 3.067 18521 17040 1 18 . 1 1 95 95 ASN HA H 95 4.184 4.184 4.279 -0.095 18521 17041 1 18 . 1 1 95 95 ASN C C 95 178.481 178.481 177.705 0.776 18521 17042 1 18 . 1 1 95 95 ASN CA C 95 56.312 56.312 56.365 -0.054 18521 17043 1 18 . 1 1 95 95 ASN H H 95 8.951 8.951 8.149 0.802 18521 17044 1 18 . 1 1 96 96 PHE N N 96 122.778 122.778 121.795 0.983 18521 17045 1 18 . 1 1 96 96 PHE HA H 96 4.341 4.341 4.123 0.218 18521 17046 1 18 . 1 1 96 96 PHE C C 96 177.925 177.925 176.865 1.060 18521 17047 1 18 . 1 1 96 96 PHE CA C 96 62.427 62.427 61.999 0.428 18521 17048 1 18 . 1 1 96 96 PHE H H 96 8.454 8.454 8.463 -0.009 18521 17049 1 18 . 1 1 97 97 THR N N 97 117.115 117.115 116.522 0.593 18521 17050 1 18 . 1 1 97 97 THR HA H 97 3.369 3.369 3.834 -0.465 18521 17051 1 18 . 1 1 97 97 THR C C 97 176.185 176.185 176.864 -0.679 18521 17052 1 18 . 1 1 97 97 THR CA C 97 68.090 68.090 66.666 1.424 18521 17053 1 18 . 1 1 97 97 THR CB C 97 68.087 68.087 68.152 -0.065 18521 17054 1 18 . 1 1 97 97 THR H H 97 8.209 8.209 8.684 -0.475 18521 17055 1 18 . 1 1 98 98 MET N N 98 119.373 119.373 120.490 -1.117 18521 17056 1 18 . 1 1 98 98 MET HA H 98 4.360 4.360 4.407 -0.047 18521 17057 1 18 . 1 1 98 98 MET C C 98 177.887 177.887 178.557 -0.670 18521 17058 1 18 . 1 1 98 98 MET CA C 98 58.143 58.143 57.955 0.188 18521 17059 1 18 . 1 1 98 98 MET CB C 98 31.948 31.948 31.511 0.437 18521 17060 1 18 . 1 1 98 98 MET H H 98 8.958 8.958 8.825 0.133 18521 17061 1 18 . 1 1 99 99 SER N N 99 114.517 114.517 116.776 -2.259 18521 17062 1 18 . 1 1 99 99 SER HA H 99 4.043 4.043 4.063 -0.020 18521 17063 1 18 . 1 1 99 99 SER C C 99 176.195 176.195 176.699 -0.504 18521 17064 1 18 . 1 1 99 99 SER CA C 99 62.481 62.481 61.409 1.072 18521 17065 1 18 . 1 1 99 99 SER CB C 99 62.692 62.692 62.898 -0.205 18521 17066 1 18 . 1 1 99 99 SER H H 99 7.708 7.708 8.104 -0.396 18521 17067 1 18 . 1 1 100 100 LEU N N 100 125.126 125.126 123.716 1.410 18521 17068 1 18 . 1 1 100 100 LEU HA H 100 3.913 3.913 3.997 -0.084 18521 17069 1 18 . 1 1 100 100 LEU C C 100 177.327 177.327 178.091 -0.764 18521 17070 1 18 . 1 1 100 100 LEU CA C 100 58.005 58.005 57.261 0.744 18521 17071 1 18 . 1 1 100 100 LEU CB C 100 41.841 41.841 41.722 0.119 18521 17072 1 18 . 1 1 100 100 LEU H H 100 7.277 7.277 7.752 -0.475 18521 17073 1 18 . 1 1 101 101 TYR N N 101 120.940 120.940 119.683 1.257 18521 17074 1 18 . 1 1 101 101 TYR HA H 101 4.143 4.143 4.176 -0.033 18521 17075 1 18 . 1 1 101 101 TYR C C 101 176.784 176.784 177.408 -0.624 18521 17076 1 18 . 1 1 101 101 TYR CA C 101 61.543 61.543 60.184 1.359 18521 17077 1 18 . 1 1 101 101 TYR CB C 101 40.909 40.909 38.305 2.604 18521 17078 1 18 . 1 1 101 101 TYR H H 101 8.858 8.858 8.686 0.172 18521 17079 1 18 . 1 1 102 102 ASN N N 102 119.067 119.067 117.644 1.423 18521 17080 1 18 . 1 1 102 102 ASN HA H 102 4.116 4.116 4.028 0.088 18521 17081 1 18 . 1 1 102 102 ASN C C 102 178.713 178.713 177.078 1.635 18521 17082 1 18 . 1 1 102 102 ASN CA C 102 55.734 55.734 56.898 -1.164 18521 17083 1 18 . 1 1 102 102 ASN H H 102 8.700 8.700 8.823 -0.123 18521 17084 1 18 . 1 1 103 103 GLU N N 103 119.558 119.558 120.662 -1.104 18521 17085 1 18 . 1 1 103 103 GLU HA H 103 3.944 3.944 3.938 0.006 18521 17086 1 18 . 1 1 103 103 GLU C C 103 179.012 179.012 178.889 0.123 18521 17087 1 18 . 1 1 103 103 GLU CA C 103 59.506 59.506 59.663 -0.157 18521 17088 1 18 . 1 1 103 103 GLU CB C 103 29.349 29.349 29.510 -0.161 18521 17089 1 18 . 1 1 103 103 GLU H H 103 7.599 7.599 8.081 -0.482 18521 17090 1 18 . 1 1 104 104 LYS N N 104 120.218 120.218 118.458 1.760 18521 17091 1 18 . 1 1 104 104 LYS HA H 104 4.051 4.051 4.029 0.022 18521 17092 1 18 . 1 1 104 104 LYS C C 104 178.477 178.477 179.013 -0.536 18521 17093 1 18 . 1 1 104 104 LYS CA C 104 56.534 56.534 58.576 -2.042 18521 17094 1 18 . 1 1 104 104 LYS CB C 104 29.108 29.108 32.328 -3.220 18521 17095 1 18 . 1 1 104 104 LYS H H 104 8.311 8.311 7.603 0.708 18521 17096 1 18 . 1 1 105 105 LEU N N 105 122.110 122.110 119.604 2.506 18521 17097 1 18 . 1 1 105 105 LEU HA H 105 3.774 3.774 3.895 -0.121 18521 17098 1 18 . 1 1 105 105 LEU C C 105 180.224 180.224 178.655 1.569 18521 17099 1 18 . 1 1 105 105 LEU CA C 105 58.148 58.148 57.755 0.393 18521 17100 1 18 . 1 1 105 105 LEU CB C 105 42.394 42.394 41.244 1.150 18521 17101 1 18 . 1 1 105 105 LEU H H 105 8.604 8.604 7.956 0.648 18521 17102 1 18 . 1 1 106 106 LYS N N 106 119.031 119.031 119.395 -0.364 18521 17103 1 18 . 1 1 106 106 LYS HA H 106 4.035 4.035 3.797 0.238 18521 17104 1 18 . 1 1 106 106 LYS C C 106 178.496 178.496 178.902 -0.406 18521 17105 1 18 . 1 1 106 106 LYS CA C 106 59.820 59.820 59.424 0.396 18521 17106 1 18 . 1 1 106 106 LYS CB C 106 31.956 31.956 32.130 -0.174 18521 17107 1 18 . 1 1 106 106 LYS H H 106 7.339 7.339 8.004 -0.665 18521 17108 1 18 . 1 1 107 107 GLN N N 107 121.417 121.417 117.638 3.779 18521 17109 1 18 . 1 1 107 107 GLN HA H 107 3.744 3.744 3.826 -0.082 18521 17110 1 18 . 1 1 107 107 GLN C C 107 178.103 178.103 178.750 -0.647 18521 17111 1 18 . 1 1 107 107 GLN CA C 107 58.582 58.582 58.246 0.336 18521 17112 1 18 . 1 1 107 107 GLN CB C 107 26.969 26.969 28.307 -1.338 18521 17113 1 18 . 1 1 107 107 GLN H H 107 7.590 7.590 7.441 0.149 18521 17114 1 18 . 1 1 108 108 LEU N N 108 120.629 120.629 118.575 2.054 18521 17115 1 18 . 1 1 108 108 LEU HA H 108 3.806 3.806 4.493 -0.687 18521 17116 1 18 . 1 1 108 108 LEU C C 108 178.978 178.978 178.297 0.681 18521 17117 1 18 . 1 1 108 108 LEU CA C 108 58.306 58.306 57.505 0.801 18521 17118 1 18 . 1 1 108 108 LEU CB C 108 42.112 42.112 41.780 0.332 18521 17119 1 18 . 1 1 108 108 LEU H H 108 8.450 8.450 7.397 1.053 18521 17120 1 18 . 1 1 109 109 LYS N N 109 119.584 119.584 117.520 2.064 18521 17121 1 18 . 1 1 109 109 LYS HA H 109 4.166 4.166 4.089 0.077 18521 17122 1 18 . 1 1 109 109 LYS C C 109 177.859 177.859 177.118 0.741 18521 17123 1 18 . 1 1 109 109 LYS CA C 109 58.746 58.746 58.741 0.005 18521 17124 1 18 . 1 1 109 109 LYS CB C 109 32.637 32.637 32.729 -0.092 18521 17125 1 18 . 1 1 109 109 LYS H H 109 7.295 7.295 7.781 -0.486 18521 17126 1 18 . 1 1 110 110 ASP N N 110 116.950 116.950 113.287 3.663 18521 17127 1 18 . 1 1 110 110 ASP HA H 110 4.604 4.604 4.964 -0.360 18521 17128 1 18 . 1 1 110 110 ASP C C 110 177.157 177.157 175.025 2.132 18521 17129 1 18 . 1 1 110 110 ASP CA C 110 55.768 55.768 54.305 1.463 18521 17130 1 18 . 1 1 110 110 ASP CB C 110 42.724 42.724 43.497 -0.773 18521 17131 1 18 . 1 1 110 110 ASP H H 110 7.807 7.807 7.704 0.103 18521 17132 1 18 . 1 1 111 111 GLY N N 111 114.046 114.046 110.145 3.901 18521 17133 1 18 . 1 1 111 111 GLY CA C 111 41.845 41.845 44.234 -2.389 18521 17134 1 18 . 1 1 111 111 GLY H H 111 8.554 8.554 7.421 1.133 18521 17135 1 18 . 1 1 112 112 PRO HA H 112 4.552 4.552 4.076 0.476 18521 17136 1 18 . 1 1 112 112 PRO C C 112 174.967 174.967 175.846 -0.879 18521 17137 1 18 . 1 1 112 112 PRO CA C 112 61.222 61.222 62.721 -1.499 18521 17138 1 18 . 1 1 112 112 PRO CB C 112 35.056 35.056 32.278 2.778 18521 17139 1 18 . 1 1 113 113 TRP N N 113 123.139 123.139 123.554 -0.415 18521 17140 1 18 . 1 1 113 113 TRP HA H 113 4.650 4.650 4.882 -0.232 18521 17141 1 18 . 1 1 113 113 TRP C C 113 174.604 174.604 175.314 -0.710 18521 17142 1 18 . 1 1 113 113 TRP CA C 113 58.154 58.154 56.645 1.509 18521 17143 1 18 . 1 1 113 113 TRP CB C 113 27.048 27.048 31.276 -4.228 18521 17144 1 18 . 1 1 113 113 TRP H H 113 8.671 8.671 8.565 0.106 18521 17145 1 18 . 1 1 114 114 ASP N N 114 121.440 121.440 119.243 2.197 18521 17146 1 18 . 1 1 114 114 ASP HA H 114 4.930 4.930 4.822 0.108 18521 17147 1 18 . 1 1 114 114 ASP C C 114 176.979 176.979 176.295 0.684 18521 17148 1 18 . 1 1 114 114 ASP CA C 114 52.223 52.223 52.542 -0.319 18521 17149 1 18 . 1 1 114 114 ASP CB C 114 43.192 43.192 42.288 0.903 18521 17150 1 18 . 1 1 114 114 ASP H H 114 6.950 6.950 8.138 -1.188 18521 17151 1 18 . 1 1 115 115 VAL N N 115 118.386 118.386 120.021 -1.635 18521 17152 1 18 . 1 1 115 115 VAL HA H 115 3.825 3.825 3.746 0.079 18521 17153 1 18 . 1 1 115 115 VAL C C 115 177.760 177.760 178.043 -0.283 18521 17154 1 18 . 1 1 115 115 VAL CA C 115 65.611 65.611 66.152 -0.541 18521 17155 1 18 . 1 1 115 115 VAL CB C 115 31.657 31.657 32.053 -0.396 18521 17156 1 18 . 1 1 115 115 VAL H H 115 8.181 8.181 8.451 -0.270 18521 17157 1 18 . 1 1 116 116 MET N N 116 120.354 120.354 119.256 1.098 18521 17158 1 18 . 1 1 116 116 MET HA H 116 4.284 4.284 4.166 0.118 18521 17159 1 18 . 1 1 116 116 MET C C 116 179.336 179.336 178.382 0.954 18521 17160 1 18 . 1 1 116 116 MET CA C 116 57.392 57.392 58.763 -1.371 18521 17161 1 18 . 1 1 116 116 MET CB C 116 30.450 30.450 32.240 -1.790 18521 17162 1 18 . 1 1 116 116 MET H H 116 7.661 7.661 7.980 -0.319 18521 17163 1 18 . 1 1 117 117 LEU N N 117 125.774 125.774 119.982 5.792 18521 17164 1 18 . 1 1 117 117 LEU HA H 117 4.129 4.129 3.994 0.135 18521 17165 1 18 . 1 1 117 117 LEU C C 117 178.399 178.399 177.876 0.523 18521 17166 1 18 . 1 1 117 117 LEU CA C 117 58.353 58.353 58.552 -0.199 18521 17167 1 18 . 1 1 117 117 LEU CB C 117 40.392 40.392 41.629 -1.237 18521 17168 1 18 . 1 1 117 117 LEU H H 117 8.179 8.179 9.079 -0.900 18521 17169 1 18 . 1 1 118 118 LYS N N 118 118.471 118.471 118.983 -0.512 18521 17170 1 18 . 1 1 118 118 LYS HA H 118 3.824 3.824 3.965 -0.141 18521 17171 1 18 . 1 1 118 118 LYS C C 118 178.259 178.259 179.096 -0.837 18521 17172 1 18 . 1 1 118 118 LYS CA C 118 60.497 60.497 60.089 0.408 18521 17173 1 18 . 1 1 118 118 LYS CB C 118 32.355 32.355 32.323 0.032 18521 17174 1 18 . 1 1 118 118 LYS H H 118 7.359 7.359 7.521 -0.162 18521 17175 1 18 . 1 1 119 119 ARG N N 119 117.838 117.838 118.731 -0.893 18521 17176 1 18 . 1 1 119 119 ARG HA H 119 4.158 4.158 4.274 -0.116 18521 17177 1 18 . 1 1 119 119 ARG C C 119 180.132 180.132 179.197 0.935 18521 17178 1 18 . 1 1 119 119 ARG CA C 119 59.535 59.535 59.435 0.100 18521 17179 1 18 . 1 1 119 119 ARG CB C 119 29.994 29.994 30.297 -0.303 18521 17180 1 18 . 1 1 119 119 ARG H H 119 8.316 8.316 7.971 0.345 18521 17181 1 18 . 1 1 120 120 SER N N 120 117.258 117.258 116.855 0.403 18521 17182 1 18 . 1 1 120 120 SER HA H 120 4.374 4.374 4.295 0.079 18521 17183 1 18 . 1 1 120 120 SER C C 120 176.034 176.034 176.764 -0.730 18521 17184 1 18 . 1 1 120 120 SER CA C 120 62.728 62.728 62.041 0.687 18521 17185 1 18 . 1 1 120 120 SER CB C 120 63.050 63.050 62.549 0.501 18521 17186 1 18 . 1 1 120 120 SER H H 120 8.598 8.598 8.176 0.422 18521 17187 1 18 . 1 1 121 121 LEU N N 121 125.307 125.307 121.985 3.322 18521 17188 1 18 . 1 1 121 121 LEU HA H 121 4.192 4.192 4.114 0.078 18521 17189 1 18 . 1 1 121 121 LEU C C 121 179.621 179.621 178.520 1.101 18521 17190 1 18 . 1 1 121 121 LEU CA C 121 58.894 58.894 58.147 0.748 18521 17191 1 18 . 1 1 121 121 LEU CB C 121 41.188 41.188 41.549 -0.361 18521 17192 1 18 . 1 1 121 121 LEU H H 121 8.250 8.250 8.016 0.234 18521 17193 1 18 . 1 1 122 122 TRP N N 122 120.444 120.444 119.269 1.175 18521 17194 1 18 . 1 1 122 122 TRP HA H 122 4.368 4.368 4.325 0.043 18521 17195 1 18 . 1 1 122 122 TRP C C 122 176.943 176.943 178.669 -1.726 18521 17196 1 18 . 1 1 122 122 TRP CA C 122 61.452 61.452 61.349 0.103 18521 17197 1 18 . 1 1 122 122 TRP CB C 122 29.823 29.823 29.223 0.600 18521 17198 1 18 . 1 1 122 122 TRP H H 122 7.873 7.873 7.777 0.096 18521 17199 1 18 . 1 1 123 123 CYS N N 123 120.188 120.188 119.516 0.672 18521 17200 1 18 . 1 1 123 123 CYS HA H 123 4.264 4.264 4.242 0.022 18521 17201 1 18 . 1 1 123 123 CYS C C 123 176.875 176.875 177.205 -0.330 18521 17202 1 18 . 1 1 123 123 CYS CA C 123 60.573 60.573 61.965 -1.392 18521 17203 1 18 . 1 1 123 123 CYS CB C 123 25.642 25.642 26.211 -0.569 18521 17204 1 18 . 1 1 123 123 CYS H H 123 8.271 8.271 8.070 0.201 18521 17205 1 18 . 1 1 124 124 CYS N N 124 116.760 116.760 119.478 -2.718 18521 17206 1 18 . 1 1 124 124 CYS HA H 124 3.880 3.880 3.998 -0.118 18521 17207 1 18 . 1 1 124 124 CYS C C 124 175.810 175.810 176.949 -1.139 18521 17208 1 18 . 1 1 124 124 CYS CA C 124 65.646 65.646 64.290 1.356 18521 17209 1 18 . 1 1 124 124 CYS CB C 124 28.069 28.069 27.762 0.307 18521 17210 1 18 . 1 1 124 124 CYS H H 124 8.208 8.208 8.073 0.135 18521 17211 1 18 . 1 1 125 125 ILE N N 125 121.167 121.167 121.103 0.064 18521 17212 1 18 . 1 1 125 125 ILE HA H 125 3.580 3.580 3.758 -0.178 18521 17213 1 18 . 1 1 125 125 ILE C C 125 179.302 179.302 177.595 1.707 18521 17214 1 18 . 1 1 125 125 ILE CA C 125 67.663 67.663 65.932 1.731 18521 17215 1 18 . 1 1 125 125 ILE CB C 125 37.988 37.988 37.544 0.444 18521 17216 1 18 . 1 1 125 125 ILE H H 125 8.073 8.073 8.350 -0.277 18521 17217 1 18 . 1 1 126 126 ASP N N 126 124.812 124.812 120.247 4.565 18521 17218 1 18 . 1 1 126 126 ASP HA H 126 4.622 4.622 4.459 0.163 18521 17219 1 18 . 1 1 126 126 ASP C C 126 178.091 178.091 178.957 -0.866 18521 17220 1 18 . 1 1 126 126 ASP CA C 126 58.885 58.885 57.194 1.691 18521 17221 1 18 . 1 1 126 126 ASP CB C 126 40.408 40.408 40.347 0.061 18521 17222 1 18 . 1 1 126 126 ASP H H 126 8.778 8.778 7.762 1.016 18521 17223 1 18 . 1 1 127 127 LEU N N 127 122.531 122.531 119.944 2.587 18521 17224 1 18 . 1 1 127 127 LEU HA H 127 3.841 3.841 3.761 0.080 18521 17225 1 18 . 1 1 127 127 LEU C C 127 179.582 179.582 178.900 0.682 18521 17226 1 18 . 1 1 127 127 LEU CA C 127 58.632 58.632 57.784 0.848 18521 17227 1 18 . 1 1 127 127 LEU CB C 127 42.680 42.680 41.557 1.123 18521 17228 1 18 . 1 1 127 127 LEU H H 127 8.888 8.888 7.349 1.539 18521 17229 1 18 . 1 1 128 128 ILE N N 128 121.311 121.311 119.052 2.259 18521 17230 1 18 . 1 1 128 128 ILE HA H 128 3.938 3.938 3.696 0.242 18521 17231 1 18 . 1 1 128 128 ILE C C 128 176.725 176.725 178.173 -1.448 18521 17232 1 18 . 1 1 128 128 ILE CA C 128 60.922 60.922 65.003 -4.081 18521 17233 1 18 . 1 1 128 128 ILE CB C 128 38.971 38.971 37.276 1.695 18521 17234 1 18 . 1 1 128 128 ILE H H 128 7.469 7.469 7.856 -0.387 18521 17235 1 18 . 1 1 129 129 ASN N N 129 122.727 122.727 118.391 4.336 18521 17236 1 18 . 1 1 129 129 ASN HA H 129 4.582 4.582 4.501 0.081 18521 17237 1 18 . 1 1 129 129 ASN C C 129 177.132 177.132 177.441 -0.309 18521 17238 1 18 . 1 1 129 129 ASN CA C 129 52.982 52.982 56.485 -3.503 18521 17239 1 18 . 1 1 129 129 ASN CB C 129 38.792 38.792 37.898 0.894 18521 17240 1 18 . 1 1 129 129 ASN H H 129 8.173 8.173 8.201 -0.028 18521 17241 1 18 . 1 1 130 130 ILE N N 130 120.527 120.527 122.549 -2.022 18521 17242 1 18 . 1 1 130 130 ILE HA H 130 4.305 4.305 3.198 1.107 18521 17243 1 18 . 1 1 130 130 ILE C C 130 175.796 175.796 177.633 -1.837 18521 17244 1 18 . 1 1 130 130 ILE CA C 130 61.246 61.246 64.448 -3.202 18521 17245 1 18 . 1 1 130 130 ILE CB C 130 38.797 38.797 36.202 2.595 18521 17246 1 18 . 1 1 130 130 ILE H H 130 8.096 8.096 7.321 0.775 18521 17247 1 18 . 1 1 131 131 ASP N N 131 122.165 122.165 120.629 1.536 18521 17248 1 18 . 1 1 131 131 ASP HA H 131 4.416 4.416 4.083 0.333 18521 17249 1 18 . 1 1 131 131 ASP C C 131 176.750 176.750 178.289 -1.539 18521 17250 1 18 . 1 1 131 131 ASP CA C 131 55.955 55.955 58.589 -2.634 18521 17251 1 18 . 1 1 131 131 ASP CB C 131 41.117 41.117 40.682 0.435 18521 17252 1 18 . 1 1 131 131 ASP H H 131 8.157 8.157 7.809 0.348 18521 17253 1 18 . 1 1 132 132 LYS N N 132 119.537 119.537 117.928 1.609 18521 17254 1 18 . 1 1 132 132 LYS HA H 132 4.373 4.373 4.004 0.369 18521 17255 1 18 . 1 1 132 132 LYS C C 132 176.405 176.405 178.189 -1.784 18521 17256 1 18 . 1 1 132 132 LYS CA C 132 55.699 55.699 59.266 -3.567 18521 17257 1 18 . 1 1 132 132 LYS CB C 132 32.822 32.822 32.247 0.575 18521 17258 1 18 . 1 1 132 132 LYS H H 132 8.023 8.023 7.615 0.408 18521 17259 1 18 . 1 1 133 133 LEU N N 133 120.242 120.242 120.018 0.224 18521 17260 1 18 . 1 1 133 133 LEU HA H 133 4.158 4.158 4.312 -0.154 18521 17261 1 18 . 1 1 133 133 LEU C C 133 178.449 178.449 179.827 -1.378 18521 17262 1 18 . 1 1 133 133 LEU CA C 133 57.538 57.538 58.045 -0.507 18521 17263 1 18 . 1 1 133 133 LEU CB C 133 41.572 41.572 42.880 -1.308 18521 17264 1 18 . 1 1 133 133 LEU H H 133 8.024 8.024 7.749 0.275 18521 17265 1 18 . 1 1 134 134 GLN N N 134 117.985 117.985 118.324 -0.339 18521 17266 1 18 . 1 1 134 134 GLN HA H 134 4.018 4.018 3.823 0.195 18521 17267 1 18 . 1 1 134 134 GLN C C 134 179.500 179.500 176.966 2.534 18521 17268 1 18 . 1 1 134 134 GLN CA C 134 58.175 58.175 57.869 0.306 18521 17269 1 18 . 1 1 134 134 GLN CB C 134 29.102 29.102 28.192 0.909 18521 17270 1 18 . 1 1 134 134 GLN H H 134 8.536 8.536 8.374 0.162 18521 17271 1 18 . 1 1 135 135 TRP N N 135 115.550 115.550 115.912 -0.362 18521 17272 1 18 . 1 1 135 135 TRP HA H 135 4.991 4.991 4.935 0.056 18521 17273 1 18 . 1 1 135 135 TRP C C 135 175.170 175.170 175.331 -0.161 18521 17274 1 18 . 1 1 135 135 TRP CA C 135 59.426 59.426 56.058 3.368 18521 17275 1 18 . 1 1 135 135 TRP CB C 135 26.894 26.894 28.305 -1.411 18521 17276 1 18 . 1 1 135 135 TRP H H 135 7.727 7.727 7.427 0.300 18521 17277 1 18 . 1 1 136 136 LYS N N 136 119.841 119.841 120.478 -0.637 18521 17278 1 18 . 1 1 136 136 LYS HA H 136 3.830 3.830 4.059 -0.229 18521 17279 1 18 . 1 1 136 136 LYS C C 136 178.330 178.330 178.785 -0.455 18521 17280 1 18 . 1 1 136 136 LYS CA C 136 60.194 60.194 60.328 -0.134 18521 17281 1 18 . 1 1 136 136 LYS CB C 136 32.902 32.902 32.459 0.443 18521 17282 1 18 . 1 1 136 136 LYS H H 136 6.580 6.580 7.843 -1.263 18521 17283 1 18 . 1 1 137 137 GLU N N 137 115.250 115.250 116.248 -0.998 18521 17284 1 18 . 1 1 137 137 GLU HA H 137 4.177 4.177 4.147 0.030 18521 17285 1 18 . 1 1 137 137 GLU C C 137 176.698 176.698 177.257 -0.559 18521 17286 1 18 . 1 1 137 137 GLU CA C 137 57.766 57.766 58.559 -0.793 18521 17287 1 18 . 1 1 137 137 GLU CB C 137 29.221 29.221 29.327 -0.106 18521 17288 1 18 . 1 1 137 137 GLU H H 137 8.549 8.549 8.809 -0.260 18521 17289 1 18 . 1 1 138 138 ASN N N 138 116.578 116.578 115.329 1.249 18521 17290 1 18 . 1 1 138 138 ASN HA H 138 4.943 4.943 4.773 0.170 18521 17291 1 18 . 1 1 138 138 ASN C C 138 173.448 173.448 174.417 -0.969 18521 17292 1 18 . 1 1 138 138 ASN CA C 138 52.681 52.681 53.366 -0.685 18521 17293 1 18 . 1 1 138 138 ASN CB C 138 40.833 40.833 39.609 1.224 18521 17294 1 18 . 1 1 138 138 ASN H H 138 8.337 8.337 7.671 0.666 18521 17295 1 18 . 1 1 139 139 ILE N N 139 120.835 120.835 120.030 0.805 18521 17296 1 18 . 1 1 139 139 ILE HA H 139 4.339 4.339 4.253 0.086 18521 17297 1 18 . 1 1 139 139 ILE C C 139 175.219 175.219 174.920 0.299 18521 17298 1 18 . 1 1 139 139 ILE CA C 139 60.867 60.867 60.608 0.259 18521 17299 1 18 . 1 1 139 139 ILE CB C 139 40.270 40.270 39.803 0.467 18521 17300 1 18 . 1 1 139 139 ILE H H 139 7.138 7.138 7.246 -0.108 18521 17301 1 18 . 1 1 140 140 MET N N 140 123.319 123.319 121.931 1.388 18521 17302 1 18 . 1 1 140 140 MET HA H 140 4.324 4.324 4.510 -0.186 18521 17303 1 18 . 1 1 140 140 MET C C 140 177.931 177.931 177.310 0.621 18521 17304 1 18 . 1 1 140 140 MET CA C 140 58.511 58.511 54.547 3.964 18521 17305 1 18 . 1 1 140 140 MET CB C 140 65.156 65.156 64.190 0.966 18521 17306 1 18 . 1 1 140 140 MET H H 140 8.714 8.714 8.427 0.287 18521 17307 1 18 . 1 1 141 141 LEU N N 141 120.610 120.610 124.095 -3.485 18521 17308 1 18 . 1 1 141 141 LEU HA H 141 4.047 4.047 4.035 0.012 18521 17309 1 18 . 1 1 141 141 LEU C C 141 177.281 177.281 178.932 -1.651 18521 17310 1 18 . 1 1 141 141 LEU CA C 141 58.362 58.362 58.331 0.031 18521 17311 1 18 . 1 1 141 141 LEU H H 141 8.333 8.333 8.890 -0.557 18521 17312 1 18 . 1 1 142 142 ASP N N 142 121.268 121.268 121.198 0.070 18521 17313 1 18 . 1 1 142 142 ASP HA H 142 4.415 4.415 4.425 -0.010 18521 17314 1 18 . 1 1 142 142 ASP C C 142 175.916 175.916 178.289 -2.373 18521 17315 1 18 . 1 1 142 142 ASP CA C 142 54.678 54.678 58.489 -3.811 18521 17316 1 18 . 1 1 142 142 ASP CB C 142 68.329 68.329 68.296 0.033 18521 17317 1 18 . 1 1 142 142 ASP H H 142 8.199 8.199 8.356 -0.157 18521 17318 1 18 . 1 1 143 143 LEU N N 143 120.218 120.218 123.085 -2.867 18521 17319 1 18 . 1 1 143 143 LEU HA H 143 4.108 4.108 4.131 -0.023 18521 17320 1 18 . 1 1 143 143 LEU C C 143 176.205 176.205 179.141 -2.936 18521 17321 1 18 . 1 1 143 143 LEU CA C 143 57.314 57.314 58.418 -1.104 18521 17322 1 18 . 1 1 143 143 LEU CB C 143 39.700 39.700 41.754 -2.054 18521 17323 1 18 . 1 1 143 143 LEU H H 143 7.858 7.858 8.198 -0.340 18521 17324 1 18 . 1 1 144 144 ILE N N 144 121.582 121.582 124.820 -3.238 18521 17325 1 18 . 1 1 144 144 ILE HA H 144 4.083 4.083 3.833 0.250 18521 17326 1 18 . 1 1 144 144 ILE C C 144 177.130 177.130 177.752 -0.622 18521 17327 1 18 . 1 1 144 144 ILE CA C 144 60.697 60.697 66.531 -5.834 18521 17328 1 18 . 1 1 144 144 ILE CB C 144 38.565 38.565 37.523 1.042 18521 17329 1 18 . 1 1 144 144 ILE H H 144 7.948 7.948 8.168 -0.220 18521 17330 1 18 . 1 1 145 145 GLU N N 145 120.974 120.974 121.468 -0.494 18521 17331 1 18 . 1 1 145 145 GLU HA H 145 4.049 4.049 4.214 -0.165 18521 17332 1 18 . 1 1 145 145 GLU C C 145 179.664 179.664 178.738 0.926 18521 17333 1 18 . 1 1 145 145 GLU CA C 145 59.673 59.673 59.330 0.343 18521 17334 1 18 . 1 1 145 145 GLU CB C 145 29.521 29.521 29.594 -0.073 18521 17335 1 18 . 1 1 145 145 GLU H H 145 7.869 7.869 7.925 -0.056 18521 17336 1 18 . 1 1 146 146 GLN N N 146 118.520 118.520 120.418 -1.898 18521 17337 1 18 . 1 1 146 146 GLN HA H 146 4.034 4.034 4.072 -0.038 18521 17338 1 18 . 1 1 146 146 GLN C C 146 178.820 178.820 177.668 1.152 18521 17339 1 18 . 1 1 146 146 GLN CA C 146 58.720 58.720 58.972 -0.252 18521 17340 1 18 . 1 1 146 146 GLN CB C 146 29.312 29.312 28.327 0.985 18521 17341 1 18 . 1 1 146 146 GLN H H 146 8.407 8.407 7.396 1.011 18521 17342 1 18 . 1 1 147 147 GLY N N 147 108.998 108.998 109.184 -0.186 18521 17343 1 18 . 1 1 147 147 GLY HA H 147 3.471 3.471 3.788 -0.317 18521 17344 1 18 . 1 1 147 147 GLY C C 147 175.794 175.794 176.823 -1.029 18521 17345 1 18 . 1 1 147 147 GLY CA C 147 47.525 47.525 48.040 -0.515 18521 17346 1 18 . 1 1 147 147 GLY CB C 147 41.801 41.801 41.541 0.260 18521 17347 1 18 . 1 1 147 147 GLY H H 147 8.059 8.059 7.561 0.498 18521 17348 1 18 . 1 1 148 148 ASP N N 148 124.022 124.022 118.676 5.346 18521 17349 1 18 . 1 1 148 148 ASP HA H 148 4.342 4.342 4.146 0.196 18521 17350 1 18 . 1 1 148 148 ASP C C 148 175.607 175.607 178.553 -2.946 18521 17351 1 18 . 1 1 148 148 ASP CA C 148 57.252 57.252 57.387 -0.135 18521 17352 1 18 . 1 1 148 148 ASP CB C 148 39.918 39.918 40.393 -0.475 18521 17353 1 18 . 1 1 148 148 ASP H H 148 8.522 8.522 8.496 0.026 18521 17354 1 18 . 1 1 149 149 GLU N N 149 121.333 121.333 119.911 1.422 18521 17355 1 18 . 1 1 149 149 GLU HA H 149 4.008 4.008 3.952 0.056 18521 17356 1 18 . 1 1 149 149 GLU C C 149 175.652 175.652 178.729 -3.077 18521 17357 1 18 . 1 1 149 149 GLU CA C 149 59.394 59.394 59.575 -0.181 18521 17358 1 18 . 1 1 149 149 GLU CB C 149 32.048 32.048 32.254 -0.206 18521 17359 1 18 . 1 1 149 149 GLU H H 149 7.768 7.768 8.084 -0.316 18521 17360 1 18 . 1 1 150 150 LEU N N 150 120.820 120.820 119.289 1.531 18521 17361 1 18 . 1 1 150 150 LEU HA H 150 3.718 3.718 4.027 -0.309 18521 17362 1 18 . 1 1 150 150 LEU C C 150 179.476 179.476 179.354 0.122 18521 17363 1 18 . 1 1 150 150 LEU CA C 150 57.656 57.656 57.934 -0.278 18521 17364 1 18 . 1 1 150 150 LEU CB C 150 28.936 28.936 29.629 -0.693 18521 17365 1 18 . 1 1 150 150 LEU H H 150 8.113 8.113 7.283 0.830 18521 17366 1 18 . 1 1 151 151 GLN N N 151 118.698 118.698 119.343 -0.645 18521 17367 1 18 . 1 1 151 151 GLN HA H 151 3.990 3.990 3.690 0.300 18521 17368 1 18 . 1 1 151 151 GLN C C 151 178.418 178.418 178.017 0.401 18521 17369 1 18 . 1 1 151 151 GLN CA C 151 58.570 58.570 59.530 -0.960 18521 17370 1 18 . 1 1 151 151 GLN CB C 151 38.409 38.409 37.426 0.983 18521 17371 1 18 . 1 1 151 151 GLN H H 151 8.282 8.282 7.557 0.725 18521 17372 1 18 . 1 1 152 152 GLU N N 152 120.750 120.750 120.129 0.621 18521 17373 1 18 . 1 1 152 152 GLU HA H 152 4.035 4.035 3.958 0.077 18521 17374 1 18 . 1 1 152 152 GLU C C 152 178.916 178.916 178.828 0.088 18521 17375 1 18 . 1 1 152 152 GLU CA C 152 59.223 59.223 59.363 -0.140 18521 17376 1 18 . 1 1 152 152 GLU CB C 152 29.322 29.322 29.169 0.153 18521 17377 1 18 . 1 1 152 152 GLU H H 152 7.499 7.499 8.157 -0.658 18521 17378 1 18 . 1 1 153 153 VAL N N 153 120.317 120.317 120.573 -0.256 18521 17379 1 18 . 1 1 153 153 VAL HA H 153 3.695 3.695 3.799 -0.104 18521 17380 1 18 . 1 1 153 153 VAL C C 153 178.846 178.846 178.081 0.765 18521 17381 1 18 . 1 1 153 153 VAL CA C 153 65.832 65.832 66.598 -0.766 18521 17382 1 18 . 1 1 153 153 VAL CB C 153 31.921 31.921 31.751 0.170 18521 17383 1 18 . 1 1 153 153 VAL H H 153 7.763 7.763 8.374 -0.611 18521 17384 1 18 . 1 1 154 154 LEU N N 154 121.374 121.374 119.600 1.774 18521 17385 1 18 . 1 1 154 154 LEU HA H 154 3.917 3.917 3.957 -0.040 18521 17386 1 18 . 1 1 154 154 LEU C C 154 178.836 178.836 178.487 0.349 18521 17387 1 18 . 1 1 154 154 LEU CA C 154 57.439 57.439 58.285 -0.846 18521 17388 1 18 . 1 1 154 154 LEU CB C 154 41.797 41.797 41.086 0.711 18521 17389 1 18 . 1 1 154 154 LEU H H 154 7.731 7.731 7.946 -0.215 18521 17390 1 18 . 1 1 155 155 ALA N N 155 121.695 121.695 123.805 -2.110 18521 17391 1 18 . 1 1 155 155 ALA HA H 155 4.145 4.145 3.778 0.367 18521 17392 1 18 . 1 1 155 155 ALA C C 155 179.502 179.502 179.548 -0.046 18521 17393 1 18 . 1 1 155 155 ALA CA C 155 54.175 54.175 55.386 -1.211 18521 17394 1 18 . 1 1 155 155 ALA CB C 155 18.499 18.499 18.631 -0.132 18521 17395 1 18 . 1 1 155 155 ALA H H 155 7.896 7.896 7.726 0.170 18521 17396 1 18 . 1 1 156 156 MET N N 156 117.652 117.652 118.140 -0.488 18521 17397 1 18 . 1 1 156 156 MET HA H 156 4.228 4.228 3.925 0.303 18521 17398 1 18 . 1 1 156 156 MET C C 156 177.366 177.366 178.688 -1.322 18521 17399 1 18 . 1 1 156 156 MET CA C 156 57.306 57.306 59.606 -2.300 18521 17400 1 18 . 1 1 156 156 MET CB C 156 32.373 32.373 32.617 -0.244 18521 17401 1 18 . 1 1 156 156 MET H H 156 7.778 7.778 8.367 -0.589 18521 17402 1 18 . 1 1 157 157 ASN N N 157 117.853 117.853 117.187 0.666 18521 17403 1 18 . 1 1 157 157 ASN HA H 157 4.588 4.588 4.168 0.420 18521 17404 1 18 . 1 1 157 157 ASN C C 157 175.211 175.211 177.754 -2.543 18521 17405 1 18 . 1 1 157 157 ASN CA C 157 54.068 54.068 57.252 -3.184 18521 17406 1 18 . 1 1 157 157 ASN CB C 157 39.125 39.125 38.219 0.906 18521 17407 1 18 . 1 1 157 157 ASN H H 157 8.009 8.009 8.395 -0.386 18521 17408 1 18 . 1 1 158 158 ASN N N 158 117.684 117.684 117.418 0.266 18521 17409 1 18 . 1 1 158 158 ASN HA H 158 4.612 4.612 4.329 0.283 18521 17410 1 18 . 1 1 158 158 ASN C C 158 174.669 174.669 177.132 -2.463 18521 17411 1 18 . 1 1 158 158 ASN CA C 158 53.554 53.554 56.205 -2.651 18521 17412 1 18 . 1 1 158 158 ASN CB C 158 39.343 39.343 37.991 1.352 18521 17413 1 18 . 1 1 158 158 ASN H H 158 7.951 7.951 8.851 -0.900 18521 17414 1 18 . 1 1 159 159 ASN N N 159 119.399 119.399 118.063 1.336 18521 17415 1 18 . 1 1 159 159 ASN HA H 159 4.583 4.583 4.422 0.161 18521 17416 1 18 . 1 1 159 159 ASN C C 159 175.563 175.563 177.650 -2.087 18521 17417 1 18 . 1 1 159 159 ASN CA C 159 53.901 53.901 56.455 -2.554 18521 17418 1 18 . 1 1 159 159 ASN CB C 159 38.425 38.425 37.728 0.697 18521 17419 1 18 . 1 1 159 159 ASN H H 159 8.319 8.319 7.712 0.607 18521 17420 1 18 . 1 1 160 160 SER N N 160 115.453 115.453 117.921 -2.468 18521 17421 1 18 . 1 1 160 160 SER HA H 160 4.324 4.324 4.094 0.230 18521 17422 1 18 . 1 1 160 160 SER C C 160 174.952 174.952 176.908 -1.956 18521 17423 1 18 . 1 1 160 160 SER CA C 160 58.851 58.851 61.275 -2.424 18521 17424 1 18 . 1 1 160 160 SER CB C 160 63.704 63.704 62.813 0.891 18521 17425 1 18 . 1 1 160 160 SER H H 160 8.297 8.297 7.489 0.808 18521 17426 1 18 . 1 1 161 161 GLY N N 161 110.851 110.851 106.568 4.283 18521 17427 1 18 . 1 1 161 161 GLY HA H 161 4.146 4.146 4.063 0.083 18521 17428 1 18 . 1 1 161 161 GLY C C 161 173.974 173.974 177.677 -3.703 18521 17429 1 18 . 1 1 161 161 GLY CA C 161 45.348 45.348 48.190 -2.842 18521 17430 1 18 . 1 1 161 161 GLY CB C 161 42.245 42.245 41.712 0.534 18521 17431 1 18 . 1 1 161 161 GLY H H 161 8.328 8.328 8.383 -0.055 18521 17432 1 18 . 1 1 162 162 GLU N N 162 120.859 120.859 118.725 2.134 18521 17433 1 18 . 1 1 162 162 GLU HA H 162 4.211 4.211 4.224 -0.013 18521 17434 1 18 . 1 1 162 162 GLU C C 162 177.522 177.522 177.377 0.145 18521 17435 1 18 . 1 1 162 162 GLU CA C 162 56.065 56.065 58.953 -2.888 18521 17436 1 18 . 1 1 162 162 GLU CB C 162 29.852 29.852 28.919 0.933 18521 17437 1 18 . 1 1 162 162 GLU H H 162 8.244 8.244 7.938 0.306 18521 17438 1 18 . 1 1 163 163 LEU N N 163 124.226 124.226 118.067 6.159 18521 17439 1 18 . 1 1 163 163 LEU HA H 163 3.889 3.889 4.304 -0.415 18521 17440 1 18 . 1 1 163 163 LEU C C 163 178.043 178.043 176.725 1.318 18521 17441 1 18 . 1 1 163 163 LEU CA C 163 57.163 57.163 54.371 2.792 18521 17442 1 18 . 1 1 163 163 LEU CB C 163 41.840 41.840 41.847 -0.007 18521 17443 1 18 . 1 1 163 163 LEU H H 163 8.337 8.337 7.593 0.744 18521 17444 1 18 . 1 1 164 164 ASP N N 164 116.994 116.994 119.535 -2.541 18521 17445 1 18 . 1 1 164 164 ASP HA H 164 4.327 4.327 4.268 0.059 18521 17446 1 18 . 1 1 164 164 ASP C C 164 176.423 176.423 176.670 -0.247 18521 17447 1 18 . 1 1 164 164 ASP CA C 164 55.427 55.427 54.695 0.732 18521 17448 1 18 . 1 1 164 164 ASP H H 164 8.188 8.188 7.787 0.401 18521 17449 1 18 . 1 1 165 165 ASP N N 165 118.967 118.967 118.484 0.483 18521 17450 1 18 . 1 1 165 165 ASP HA H 165 4.443 4.443 4.449 -0.006 18521 17451 1 18 . 1 1 165 165 ASP C C 165 175.654 175.654 176.194 -0.540 18521 17452 1 18 . 1 1 165 165 ASP CA C 165 54.707 54.707 54.850 -0.143 18521 17453 1 18 . 1 1 165 165 ASP CB C 165 40.973 40.973 41.250 -0.277 18521 17454 1 18 . 1 1 165 165 ASP H H 165 7.701 7.701 7.879 -0.178 18521 17455 1 18 . 1 1 166 166 ILE N N 166 122.002 122.002 119.376 2.626 18521 17456 1 18 . 1 1 166 166 ILE HA H 166 4.049 4.049 4.031 0.018 18521 17457 1 18 . 1 1 166 166 ILE C C 166 175.180 175.180 174.986 0.194 18521 17458 1 18 . 1 1 166 166 ILE CA C 166 60.396 60.396 59.648 0.749 18521 17459 1 18 . 1 1 166 166 ILE CB C 166 39.185 39.185 37.882 1.303 18521 17460 1 18 . 1 1 166 166 ILE H H 166 7.388 7.388 7.234 0.154 18521 17461 1 19 . 1 1 2 2 ALA N N 2 122.445 122.445 123.503 -1.058 18521 17462 1 19 . 1 1 2 2 ALA HA H 2 4.045 4.045 4.006 0.039 18521 17463 1 19 . 1 1 2 2 ALA C C 2 179.992 179.992 178.707 1.285 18521 17464 1 19 . 1 1 2 2 ALA CA C 2 55.140 55.140 54.969 0.171 18521 17465 1 19 . 1 1 2 2 ALA CB C 2 18.482 18.482 18.207 0.275 18521 17466 1 19 . 1 1 2 2 ALA H H 2 8.545 8.545 8.505 0.040 18521 17467 1 19 . 1 1 3 3 SER N N 3 115.544 115.544 112.444 3.100 18521 17468 1 19 . 1 1 3 3 SER HA H 3 4.030 4.030 4.121 -0.091 18521 17469 1 19 . 1 1 3 3 SER C C 3 176.584 176.584 176.699 -0.115 18521 17470 1 19 . 1 1 3 3 SER CA C 3 60.748 60.748 60.936 -0.188 18521 17471 1 19 . 1 1 3 3 SER CB C 3 62.416 62.416 62.641 -0.225 18521 17472 1 19 . 1 1 3 3 SER H H 3 8.009 8.009 8.419 -0.410 18521 17473 1 19 . 1 1 4 4 ASN N N 4 123.103 123.103 120.713 2.390 18521 17474 1 19 . 1 1 4 4 ASN HA H 4 4.318 4.318 4.454 -0.136 18521 17475 1 19 . 1 1 4 4 ASN C C 4 176.215 176.215 177.212 -0.997 18521 17476 1 19 . 1 1 4 4 ASN CA C 4 55.580 55.580 55.561 0.019 18521 17477 1 19 . 1 1 4 4 ASN CB C 4 38.154 38.154 37.816 0.338 18521 17478 1 19 . 1 1 4 4 ASN H H 4 7.965 7.965 7.799 0.166 18521 17479 1 19 . 1 1 5 5 ALA N N 5 122.314 122.314 123.253 -0.939 18521 17480 1 19 . 1 1 5 5 ALA HA H 5 3.560 3.560 3.799 -0.239 18521 17481 1 19 . 1 1 5 5 ALA C C 5 178.543 178.543 178.803 -0.260 18521 17482 1 19 . 1 1 5 5 ALA CA C 5 55.774 55.774 54.990 0.783 18521 17483 1 19 . 1 1 5 5 ALA CB C 5 17.638 17.638 18.099 -0.460 18521 17484 1 19 . 1 1 5 5 ALA H H 5 8.721 8.721 7.557 1.164 18521 17485 1 19 . 1 1 6 6 ALA N N 6 117.886 117.886 121.398 -3.512 18521 17486 1 19 . 1 1 6 6 ALA HA H 6 3.784 3.784 3.963 -0.179 18521 17487 1 19 . 1 1 6 6 ALA C C 6 180.378 180.378 179.338 1.040 18521 17488 1 19 . 1 1 6 6 ALA CA C 6 55.240 55.240 55.040 0.200 18521 17489 1 19 . 1 1 6 6 ALA CB C 6 17.890 17.890 18.049 -0.159 18521 17490 1 19 . 1 1 6 6 ALA H H 6 7.891 7.891 7.448 0.443 18521 17491 1 19 . 1 1 7 7 ARG N N 7 120.992 120.992 119.450 1.542 18521 17492 1 19 . 1 1 7 7 ARG HA H 7 3.770 3.770 4.044 -0.274 18521 17493 1 19 . 1 1 7 7 ARG C C 7 179.531 179.531 178.635 0.896 18521 17494 1 19 . 1 1 7 7 ARG CA C 7 59.249 59.249 59.403 -0.154 18521 17495 1 19 . 1 1 7 7 ARG CB C 7 29.546 29.546 30.419 -0.873 18521 17496 1 19 . 1 1 7 7 ARG H H 7 7.503 7.503 7.960 -0.457 18521 17497 1 19 . 1 1 8 8 VAL N N 8 123.707 123.707 119.894 3.813 18521 17498 1 19 . 1 1 8 8 VAL HA H 8 3.285 3.285 3.793 -0.508 18521 17499 1 19 . 1 1 8 8 VAL C C 8 177.740 177.740 178.026 -0.286 18521 17500 1 19 . 1 1 8 8 VAL CA C 8 67.839 67.839 66.557 1.282 18521 17501 1 19 . 1 1 8 8 VAL CB C 8 31.516 31.516 31.176 0.340 18521 17502 1 19 . 1 1 8 8 VAL H H 8 8.176 8.176 8.418 -0.242 18521 17503 1 19 . 1 1 9 9 VAL N N 9 119.893 119.893 120.324 -0.431 18521 17504 1 19 . 1 1 9 9 VAL HA H 9 3.286 3.286 3.599 -0.313 18521 17505 1 19 . 1 1 9 9 VAL C C 9 177.535 177.535 178.286 -0.751 18521 17506 1 19 . 1 1 9 9 VAL CA C 9 67.549 67.549 66.310 1.239 18521 17507 1 19 . 1 1 9 9 VAL CB C 9 31.683 31.683 30.666 1.017 18521 17508 1 19 . 1 1 9 9 VAL H H 9 8.329 8.329 8.009 0.320 18521 17509 1 19 . 1 1 10 10 ALA N N 10 122.541 122.541 122.070 0.471 18521 17510 1 19 . 1 1 10 10 ALA HA H 10 3.971 3.971 4.086 -0.115 18521 17511 1 19 . 1 1 10 10 ALA C C 10 177.093 177.093 179.757 -2.664 18521 17512 1 19 . 1 1 10 10 ALA CA C 10 55.448 55.448 55.551 -0.103 18521 17513 1 19 . 1 1 10 10 ALA CB C 10 17.791 17.791 18.443 -0.652 18521 17514 1 19 . 1 1 10 10 ALA H H 10 7.802 7.802 8.686 -0.884 18521 17515 1 19 . 1 1 11 11 THR N N 11 116.946 116.946 115.430 1.516 18521 17516 1 19 . 1 1 11 11 THR HA H 11 3.821 3.821 4.015 -0.194 18521 17517 1 19 . 1 1 11 11 THR C C 11 175.702 175.702 176.640 -0.938 18521 17518 1 19 . 1 1 11 11 THR CA C 11 66.531 66.531 66.191 0.340 18521 17519 1 19 . 1 1 11 11 THR CB C 11 68.493 68.493 68.439 0.054 18521 17520 1 19 . 1 1 11 11 THR H H 11 8.187 8.187 8.625 -0.438 18521 17521 1 19 . 1 1 12 12 ALA N N 12 125.357 125.357 123.962 1.395 18521 17522 1 19 . 1 1 12 12 ALA HA H 12 4.003 4.003 4.115 -0.112 18521 17523 1 19 . 1 1 12 12 ALA C C 12 179.401 179.401 179.373 0.028 18521 17524 1 19 . 1 1 12 12 ALA CA C 12 56.083 56.083 55.303 0.780 18521 17525 1 19 . 1 1 12 12 ALA CB C 12 18.855 18.855 18.218 0.637 18521 17526 1 19 . 1 1 12 12 ALA H H 12 8.641 8.641 8.190 0.451 18521 17527 1 19 . 1 1 13 13 LYS N N 13 117.246 117.246 117.181 0.065 18521 17528 1 19 . 1 1 13 13 LYS HA H 13 3.964 3.964 4.256 -0.292 18521 17529 1 19 . 1 1 13 13 LYS C C 13 180.132 180.132 178.374 1.758 18521 17530 1 19 . 1 1 13 13 LYS CA C 13 58.991 58.991 59.220 -0.229 18521 17531 1 19 . 1 1 13 13 LYS CB C 13 32.014 32.014 32.063 -0.049 18521 17532 1 19 . 1 1 13 13 LYS H H 13 7.961 7.961 7.687 0.274 18521 17533 1 19 . 1 1 14 14 ASP N N 14 122.162 122.162 119.852 2.310 18521 17534 1 19 . 1 1 14 14 ASP HA H 14 4.355 4.355 4.402 -0.047 18521 17535 1 19 . 1 1 14 14 ASP C C 14 179.394 179.394 178.332 1.062 18521 17536 1 19 . 1 1 14 14 ASP CA C 14 57.524 57.524 56.920 0.604 18521 17537 1 19 . 1 1 14 14 ASP CB C 14 39.984 39.984 40.400 -0.416 18521 17538 1 19 . 1 1 14 14 ASP H H 14 7.702 7.702 7.775 -0.073 18521 17539 1 19 . 1 1 15 15 PHE N N 15 119.552 119.552 118.001 1.551 18521 17540 1 19 . 1 1 15 15 PHE HA H 15 4.307 4.307 4.251 0.056 18521 17541 1 19 . 1 1 15 15 PHE C C 15 178.383 178.383 177.884 0.499 18521 17542 1 19 . 1 1 15 15 PHE CA C 15 62.313 62.313 61.532 0.781 18521 17543 1 19 . 1 1 15 15 PHE CB C 15 37.340 37.340 38.878 -1.538 18521 17544 1 19 . 1 1 15 15 PHE H H 15 7.970 7.970 7.557 0.413 18521 17545 1 19 . 1 1 16 16 ASP N N 16 121.464 121.464 119.696 1.768 18521 17546 1 19 . 1 1 16 16 ASP HA H 16 4.016 4.016 4.455 -0.439 18521 17547 1 19 . 1 1 16 16 ASP C C 16 179.923 179.923 179.241 0.682 18521 17548 1 19 . 1 1 16 16 ASP CA C 16 58.030 58.030 57.351 0.679 18521 17549 1 19 . 1 1 16 16 ASP CB C 16 41.407 41.407 40.158 1.249 18521 17550 1 19 . 1 1 16 16 ASP H H 16 8.259 8.259 7.871 0.388 18521 17551 1 19 . 1 1 17 17 LYS N N 17 118.806 118.806 120.655 -1.849 18521 17552 1 19 . 1 1 17 17 LYS HA H 17 4.047 4.047 4.114 -0.067 18521 17553 1 19 . 1 1 17 17 LYS C C 17 178.432 178.432 177.810 0.622 18521 17554 1 19 . 1 1 17 17 LYS CA C 17 59.018 59.018 59.140 -0.122 18521 17555 1 19 . 1 1 17 17 LYS CB C 17 32.592 32.592 32.666 -0.074 18521 17556 1 19 . 1 1 17 17 LYS H H 17 7.842 7.842 7.656 0.186 18521 17557 1 19 . 1 1 18 18 VAL N N 18 110.416 110.416 117.107 -6.691 18521 17558 1 19 . 1 1 18 18 VAL HA H 18 4.523 4.523 4.091 0.432 18521 17559 1 19 . 1 1 18 18 VAL C C 18 176.089 176.089 175.652 0.437 18521 17560 1 19 . 1 1 18 18 VAL CA C 18 60.797 60.797 62.812 -2.015 18521 17561 1 19 . 1 1 18 18 VAL CB C 18 31.194 31.194 32.239 -1.045 18521 17562 1 19 . 1 1 18 18 VAL H H 18 7.198 7.198 7.341 -0.143 18521 17563 1 19 . 1 1 19 19 GLY N N 19 109.008 109.008 107.596 1.412 18521 17564 1 19 . 1 1 19 19 GLY C C 19 175.070 175.070 174.898 0.172 18521 17565 1 19 . 1 1 19 19 GLY CA C 19 45.842 45.842 45.434 0.408 18521 17566 1 19 . 1 1 19 19 GLY H H 19 7.731 7.731 7.705 0.026 18521 17567 1 19 . 1 1 20 20 LEU N N 20 125.244 125.244 123.023 2.221 18521 17568 1 19 . 1 1 20 20 LEU HA H 20 4.938 4.938 4.610 0.328 18521 17569 1 19 . 1 1 20 20 LEU C C 20 177.890 177.890 176.985 0.905 18521 17570 1 19 . 1 1 20 20 LEU CA C 20 52.674 52.674 53.142 -0.468 18521 17571 1 19 . 1 1 20 20 LEU CB C 20 40.239 40.239 39.922 0.316 18521 17572 1 19 . 1 1 20 20 LEU H H 20 8.102 8.102 8.449 -0.347 18521 17573 1 19 . 1 1 21 21 GLY N N 21 108.031 108.031 109.650 -1.619 18521 17574 1 19 . 1 1 21 21 GLY C C 21 176.174 176.174 175.866 0.308 18521 17575 1 19 . 1 1 21 21 GLY CA C 21 47.352 47.352 47.482 -0.130 18521 17576 1 19 . 1 1 21 21 GLY H H 21 8.046 8.046 7.984 0.062 18521 17577 1 19 . 1 1 22 22 ILE N N 22 121.173 121.173 121.993 -0.820 18521 17578 1 19 . 1 1 22 22 ILE HA H 22 3.944 3.944 3.717 0.227 18521 17579 1 19 . 1 1 22 22 ILE C C 22 176.119 176.119 177.640 -1.521 18521 17580 1 19 . 1 1 22 22 ILE CA C 22 61.179 61.179 64.718 -3.539 18521 17581 1 19 . 1 1 22 22 ILE CB C 22 35.934 35.934 37.907 -1.973 18521 17582 1 19 . 1 1 22 22 ILE H H 22 8.395 8.395 8.037 0.358 18521 17583 1 19 . 1 1 23 23 ILE N N 23 120.647 120.647 120.448 0.199 18521 17584 1 19 . 1 1 23 23 ILE HA H 23 3.713 3.713 3.787 -0.074 18521 17585 1 19 . 1 1 23 23 ILE C C 23 178.458 178.458 178.579 -0.121 18521 17586 1 19 . 1 1 23 23 ILE CA C 23 64.266 64.266 62.161 2.105 18521 17587 1 19 . 1 1 23 23 ILE CB C 23 36.272 36.272 36.118 0.153 18521 17588 1 19 . 1 1 23 23 ILE H H 23 6.824 6.824 7.550 -0.726 18521 17589 1 19 . 1 1 24 24 GLY N N 24 103.326 103.326 107.855 -4.529 18521 17590 1 19 . 1 1 24 24 GLY C C 24 174.914 174.914 175.680 -0.766 18521 17591 1 19 . 1 1 24 24 GLY CA C 24 47.998 47.998 47.113 0.885 18521 17592 1 19 . 1 1 24 24 GLY H H 24 7.412 7.412 7.924 -0.512 18521 17593 1 19 . 1 1 25 25 TYR N N 25 124.188 124.188 124.067 0.121 18521 17594 1 19 . 1 1 25 25 TYR HA H 25 3.734 3.734 3.791 -0.057 18521 17595 1 19 . 1 1 25 25 TYR C C 25 176.055 176.055 177.178 -1.123 18521 17596 1 19 . 1 1 25 25 TYR CA C 25 60.962 60.962 60.676 0.286 18521 17597 1 19 . 1 1 25 25 TYR CB C 25 37.888 37.888 37.712 0.176 18521 17598 1 19 . 1 1 25 25 TYR H H 25 7.861 7.861 8.332 -0.471 18521 17599 1 19 . 1 1 26 26 TYR N N 26 117.390 117.390 117.432 -0.042 18521 17600 1 19 . 1 1 26 26 TYR HA H 26 3.881 3.881 3.933 -0.052 18521 17601 1 19 . 1 1 26 26 TYR C C 26 178.653 178.653 177.943 0.710 18521 17602 1 19 . 1 1 26 26 TYR CA C 26 64.270 64.270 62.395 1.875 18521 17603 1 19 . 1 1 26 26 TYR CB C 26 37.453 37.453 38.188 -0.735 18521 17604 1 19 . 1 1 26 26 TYR H H 26 7.594 7.594 7.616 -0.022 18521 17605 1 19 . 1 1 27 27 LEU N N 27 118.536 118.536 119.512 -0.976 18521 17606 1 19 . 1 1 27 27 LEU HA H 27 4.277 4.277 3.813 0.464 18521 17607 1 19 . 1 1 27 27 LEU C C 27 179.025 179.025 178.902 0.123 18521 17608 1 19 . 1 1 27 27 LEU CA C 27 58.382 58.382 58.267 0.115 18521 17609 1 19 . 1 1 27 27 LEU CB C 27 42.595 42.595 41.031 1.564 18521 17610 1 19 . 1 1 27 27 LEU H H 27 8.226 8.226 7.899 0.327 18521 17611 1 19 . 1 1 28 28 GLN N N 28 119.110 119.110 118.005 1.105 18521 17612 1 19 . 1 1 28 28 GLN HA H 28 3.665 3.665 3.815 -0.150 18521 17613 1 19 . 1 1 28 28 GLN C C 28 177.406 177.406 178.386 -0.980 18521 17614 1 19 . 1 1 28 28 GLN CA C 28 60.626 60.626 58.990 1.636 18521 17615 1 19 . 1 1 28 28 GLN CB C 28 28.959 28.959 28.493 0.466 18521 17616 1 19 . 1 1 28 28 GLN H H 28 8.007 8.007 8.136 -0.129 18521 17617 1 19 . 1 1 29 29 LEU N N 29 121.623 121.623 120.906 0.717 18521 17618 1 19 . 1 1 29 29 LEU HA H 29 3.718 3.718 3.871 -0.153 18521 17619 1 19 . 1 1 29 29 LEU C C 29 179.706 179.706 178.149 1.557 18521 17620 1 19 . 1 1 29 29 LEU CA C 29 58.382 58.382 57.572 0.810 18521 17621 1 19 . 1 1 29 29 LEU CB C 29 42.114 42.114 41.430 0.684 18521 17622 1 19 . 1 1 29 29 LEU H H 29 7.938 7.938 7.246 0.692 18521 17623 1 19 . 1 1 30 30 TYR N N 30 120.084 120.084 120.799 -0.715 18521 17624 1 19 . 1 1 30 30 TYR HA H 30 4.132 4.132 4.032 0.100 18521 17625 1 19 . 1 1 30 30 TYR C C 30 175.611 175.611 177.173 -1.562 18521 17626 1 19 . 1 1 30 30 TYR CA C 30 58.951 58.951 59.637 -0.686 18521 17627 1 19 . 1 1 30 30 TYR CB C 30 39.302 39.302 37.779 1.523 18521 17628 1 19 . 1 1 30 30 TYR H H 30 7.974 7.974 8.098 -0.124 18521 17629 1 19 . 1 1 31 31 ALA N N 31 121.802 121.802 121.063 0.739 18521 17630 1 19 . 1 1 31 31 ALA HA H 31 3.343 3.343 3.396 -0.053 18521 17631 1 19 . 1 1 31 31 ALA C C 31 178.911 178.911 178.946 -0.035 18521 17632 1 19 . 1 1 31 31 ALA CA C 31 55.429 55.429 54.819 0.610 18521 17633 1 19 . 1 1 31 31 ALA CB C 31 17.895 17.895 18.115 -0.220 18521 17634 1 19 . 1 1 31 31 ALA H H 31 8.504 8.504 8.286 0.218 18521 17635 1 19 . 1 1 32 32 VAL N N 32 116.528 116.528 118.525 -1.997 18521 17636 1 19 . 1 1 32 32 VAL HA H 32 3.249 3.249 3.418 -0.169 18521 17637 1 19 . 1 1 32 32 VAL C C 32 176.963 176.963 178.058 -1.095 18521 17638 1 19 . 1 1 32 32 VAL CA C 32 67.723 67.723 67.151 0.572 18521 17639 1 19 . 1 1 32 32 VAL CB C 32 31.403 31.403 31.127 0.276 18521 17640 1 19 . 1 1 32 32 VAL H H 32 8.027 8.027 8.120 -0.093 18521 17641 1 19 . 1 1 33 33 GLU N N 33 118.609 118.609 119.075 -0.466 18521 17642 1 19 . 1 1 33 33 GLU HA H 33 3.804 3.804 4.015 -0.211 18521 17643 1 19 . 1 1 33 33 GLU C C 33 180.234 180.234 179.175 1.059 18521 17644 1 19 . 1 1 33 33 GLU CA C 33 59.446 59.446 59.175 0.271 18521 17645 1 19 . 1 1 33 33 GLU CB C 33 28.711 28.711 29.584 -0.873 18521 17646 1 19 . 1 1 33 33 GLU H H 33 7.299 7.299 7.556 -0.257 18521 17647 1 19 . 1 1 34 34 LEU N N 34 120.831 120.831 121.762 -0.931 18521 17648 1 19 . 1 1 34 34 LEU HA H 34 3.702 3.702 3.841 -0.139 18521 17649 1 19 . 1 1 34 34 LEU C C 34 180.024 180.024 178.564 1.460 18521 17650 1 19 . 1 1 34 34 LEU CA C 34 57.815 57.815 57.883 -0.068 18521 17651 1 19 . 1 1 34 34 LEU CB C 34 42.097 42.097 41.656 0.441 18521 17652 1 19 . 1 1 34 34 LEU H H 34 8.168 8.168 7.489 0.679 18521 17653 1 19 . 1 1 35 35 ILE N N 35 120.733 120.733 118.405 2.328 18521 17654 1 19 . 1 1 35 35 ILE HA H 35 3.589 3.589 3.504 0.085 18521 17655 1 19 . 1 1 35 35 ILE C C 35 178.501 178.501 178.492 0.009 18521 17656 1 19 . 1 1 35 35 ILE CA C 35 65.363 65.363 65.340 0.023 18521 17657 1 19 . 1 1 35 35 ILE CB C 35 38.960 38.960 37.711 1.249 18521 17658 1 19 . 1 1 35 35 ILE H H 35 8.064 8.064 7.869 0.195 18521 17659 1 19 . 1 1 36 36 LEU N N 36 115.519 115.519 118.612 -3.093 18521 17660 1 19 . 1 1 36 36 LEU HA H 36 3.958 3.958 4.010 -0.052 18521 17661 1 19 . 1 1 36 36 LEU C C 36 178.244 178.244 177.926 0.318 18521 17662 1 19 . 1 1 36 36 LEU CA C 36 56.069 56.069 57.226 -1.157 18521 17663 1 19 . 1 1 36 36 LEU CB C 36 40.528 40.528 41.853 -1.325 18521 17664 1 19 . 1 1 36 36 LEU H H 36 8.370 8.370 7.514 0.856 18521 17665 1 19 . 1 1 37 37 SER N N 37 113.976 113.976 110.817 3.159 18521 17666 1 19 . 1 1 37 37 SER HA H 37 4.197 4.197 4.253 -0.056 18521 17667 1 19 . 1 1 37 37 SER C C 37 173.934 173.934 175.325 -1.391 18521 17668 1 19 . 1 1 37 37 SER CA C 37 60.204 60.204 59.373 0.831 18521 17669 1 19 . 1 1 37 37 SER CB C 37 63.507 63.507 63.585 -0.078 18521 17670 1 19 . 1 1 37 37 SER H H 37 7.523 7.523 7.765 -0.242 18521 17671 1 19 . 1 1 38 38 GLU N N 38 123.219 123.219 122.513 0.706 18521 17672 1 19 . 1 1 38 38 GLU HA H 38 4.426 4.426 4.332 0.094 18521 17673 1 19 . 1 1 38 38 GLU C C 38 175.767 175.767 176.211 -0.444 18521 17674 1 19 . 1 1 38 38 GLU CA C 38 55.046 55.046 55.411 -0.365 18521 17675 1 19 . 1 1 38 38 GLU CB C 38 30.395 30.395 29.873 0.522 18521 17676 1 19 . 1 1 38 38 GLU H H 38 7.185 7.185 7.522 -0.337 18521 17677 1 19 . 1 1 39 39 GLU N N 39 126.955 126.955 124.854 2.101 18521 17678 1 19 . 1 1 39 39 GLU HA H 39 3.985 3.985 4.114 -0.129 18521 17679 1 19 . 1 1 39 39 GLU C C 39 176.861 176.861 176.318 0.543 18521 17680 1 19 . 1 1 39 39 GLU CA C 39 58.331 58.331 58.227 0.104 18521 17681 1 19 . 1 1 39 39 GLU CB C 39 30.008 30.008 29.997 0.011 18521 17682 1 19 . 1 1 39 39 GLU H H 39 8.632 8.632 8.748 -0.116 18521 17683 1 19 . 1 1 40 40 ASP N N 40 119.763 119.763 119.864 -0.101 18521 17684 1 19 . 1 1 40 40 ASP HA H 40 4.616 4.616 4.757 -0.141 18521 17685 1 19 . 1 1 40 40 ASP C C 40 174.989 174.989 175.767 -0.778 18521 17686 1 19 . 1 1 40 40 ASP CA C 40 53.281 53.281 54.276 -0.995 18521 17687 1 19 . 1 1 40 40 ASP CB C 40 39.814 39.814 40.779 -0.965 18521 17688 1 19 . 1 1 40 40 ASP H H 40 8.560 8.560 8.467 0.093 18521 17689 1 19 . 1 1 41 41 ARG N N 41 119.595 119.595 122.059 -2.464 18521 17690 1 19 . 1 1 41 41 ARG HA H 41 4.390 4.390 4.594 -0.204 18521 17691 1 19 . 1 1 41 41 ARG C C 41 175.553 175.553 174.852 0.701 18521 17692 1 19 . 1 1 41 41 ARG CA C 41 54.707 54.707 55.208 -0.501 18521 17693 1 19 . 1 1 41 41 ARG CB C 41 31.865 31.865 33.274 -1.409 18521 17694 1 19 . 1 1 41 41 ARG H H 41 7.443 7.443 8.514 -1.071 18521 17695 1 19 . 1 1 42 42 SER N N 42 119.463 119.463 117.405 2.058 18521 17696 1 19 . 1 1 42 42 SER HA H 42 4.381 4.381 4.734 -0.353 18521 17697 1 19 . 1 1 42 42 SER C C 42 175.361 175.361 175.264 0.097 18521 17698 1 19 . 1 1 42 42 SER CA C 42 57.137 57.137 56.218 0.919 18521 17699 1 19 . 1 1 42 42 SER CB C 42 65.166 65.166 64.736 0.430 18521 17700 1 19 . 1 1 42 42 SER H H 42 8.556 8.556 8.476 0.080 18521 17701 1 19 . 1 1 43 43 GLN N N 43 122.535 122.535 123.264 -0.729 18521 17702 1 19 . 1 1 43 43 GLN HA H 43 4.018 4.018 3.977 0.041 18521 17703 1 19 . 1 1 43 43 GLN C C 43 178.768 178.768 178.030 0.738 18521 17704 1 19 . 1 1 43 43 GLN CA C 43 59.073 59.073 59.882 -0.809 18521 17705 1 19 . 1 1 43 43 GLN CB C 43 27.871 27.871 28.719 -0.848 18521 17706 1 19 . 1 1 43 43 GLN H H 43 9.087 9.087 8.980 0.107 18521 17707 1 19 . 1 1 44 44 GLU N N 44 120.308 120.308 119.787 0.521 18521 17708 1 19 . 1 1 44 44 GLU HA H 44 3.982 3.982 4.106 -0.124 18521 17709 1 19 . 1 1 44 44 GLU C C 44 179.737 179.737 178.799 0.938 18521 17710 1 19 . 1 1 44 44 GLU CA C 44 60.142 60.142 59.230 0.912 18521 17711 1 19 . 1 1 44 44 GLU CB C 44 28.801 28.801 29.292 -0.491 18521 17712 1 19 . 1 1 44 44 GLU H H 44 8.958 8.958 7.913 1.045 18521 17713 1 19 . 1 1 45 45 MET N N 45 120.968 120.968 118.512 2.456 18521 17714 1 19 . 1 1 45 45 MET HA H 45 4.432 4.432 4.193 0.239 18521 17715 1 19 . 1 1 45 45 MET C C 45 178.153 178.153 178.681 -0.528 18521 17716 1 19 . 1 1 45 45 MET CA C 45 57.117 57.117 58.888 -1.770 18521 17717 1 19 . 1 1 45 45 MET CB C 45 32.517 32.517 32.544 -0.027 18521 17718 1 19 . 1 1 45 45 MET H H 45 7.740 7.740 7.941 -0.201 18521 17719 1 19 . 1 1 46 46 THR N N 46 120.159 120.159 116.450 3.709 18521 17720 1 19 . 1 1 46 46 THR HA H 46 3.620 3.620 3.888 -0.268 18521 17721 1 19 . 1 1 46 46 THR C C 46 176.389 176.389 176.294 0.095 18521 17722 1 19 . 1 1 46 46 THR CA C 46 67.416 67.416 66.978 0.438 18521 17723 1 19 . 1 1 46 46 THR CB C 46 68.208 68.208 68.716 -0.508 18521 17724 1 19 . 1 1 46 46 THR H H 46 8.190 8.190 8.587 -0.397 18521 17725 1 19 . 1 1 47 47 ALA N N 47 124.729 124.729 123.850 0.879 18521 17726 1 19 . 1 1 47 47 ALA HA H 47 4.060 4.060 4.198 -0.138 18521 17727 1 19 . 1 1 47 47 ALA C C 47 179.554 179.554 179.267 0.287 18521 17728 1 19 . 1 1 47 47 ALA CA C 47 55.195 55.195 54.775 0.420 18521 17729 1 19 . 1 1 47 47 ALA CB C 47 17.654 17.654 18.279 -0.625 18521 17730 1 19 . 1 1 47 47 ALA H H 47 8.292 8.292 7.784 0.508 18521 17731 1 19 . 1 1 48 48 LEU N N 48 122.244 122.244 121.060 1.184 18521 17732 1 19 . 1 1 48 48 LEU HA H 48 4.195 4.195 4.071 0.124 18521 17733 1 19 . 1 1 48 48 LEU C C 48 178.022 178.022 178.534 -0.512 18521 17734 1 19 . 1 1 48 48 LEU CA C 48 57.695 57.695 57.512 0.183 18521 17735 1 19 . 1 1 48 48 LEU CB C 48 41.236 41.236 41.672 -0.436 18521 17736 1 19 . 1 1 48 48 LEU H H 48 7.723 7.723 7.852 -0.129 18521 17737 1 19 . 1 1 49 49 ALA N N 49 120.883 120.883 120.534 0.349 18521 17738 1 19 . 1 1 49 49 ALA HA H 49 3.854 3.854 3.893 -0.039 18521 17739 1 19 . 1 1 49 49 ALA C C 49 178.770 178.770 179.428 -0.658 18521 17740 1 19 . 1 1 49 49 ALA CA C 49 55.836 55.836 55.204 0.632 18521 17741 1 19 . 1 1 49 49 ALA CB C 49 17.137 17.137 18.279 -1.142 18521 17742 1 19 . 1 1 49 49 ALA H H 49 8.210 8.210 8.005 0.205 18521 17743 1 19 . 1 1 50 50 THR N N 50 113.676 113.676 115.348 -1.672 18521 17744 1 19 . 1 1 50 50 THR HA H 50 3.765 3.765 3.834 -0.069 18521 17745 1 19 . 1 1 50 50 THR C C 50 175.836 175.836 176.457 -0.621 18521 17746 1 19 . 1 1 50 50 THR CA C 50 66.975 66.975 67.339 -0.364 18521 17747 1 19 . 1 1 50 50 THR CB C 50 68.976 68.976 68.731 0.245 18521 17748 1 19 . 1 1 50 50 THR H H 50 7.891 7.891 7.557 0.334 18521 17749 1 19 . 1 1 51 51 GLU N N 51 123.445 123.445 121.958 1.487 18521 17750 1 19 . 1 1 51 51 GLU HA H 51 4.221 4.221 4.007 0.214 18521 17751 1 19 . 1 1 51 51 GLU C C 51 179.906 179.906 178.872 1.034 18521 17752 1 19 . 1 1 51 51 GLU CA C 51 59.436 59.436 59.415 0.021 18521 17753 1 19 . 1 1 51 51 GLU CB C 51 29.498 29.498 29.622 -0.124 18521 17754 1 19 . 1 1 51 51 GLU H H 51 7.877 7.877 7.926 -0.049 18521 17755 1 19 . 1 1 52 52 LEU N N 52 121.629 121.629 119.233 2.396 18521 17756 1 19 . 1 1 52 52 LEU HA H 52 3.907 3.907 4.024 -0.117 18521 17757 1 19 . 1 1 52 52 LEU C C 52 178.993 178.993 179.133 -0.140 18521 17758 1 19 . 1 1 52 52 LEU CA C 52 57.840 57.840 57.583 0.257 18521 17759 1 19 . 1 1 52 52 LEU CB C 52 42.076 42.076 41.829 0.247 18521 17760 1 19 . 1 1 52 52 LEU H H 52 8.670 8.670 7.558 1.112 18521 17761 1 19 . 1 1 53 53 LEU N N 53 119.996 119.996 119.654 0.342 18521 17762 1 19 . 1 1 53 53 LEU HA H 53 3.949 3.949 3.792 0.157 18521 17763 1 19 . 1 1 53 53 LEU C C 53 179.950 179.950 178.939 1.011 18521 17764 1 19 . 1 1 53 53 LEU CA C 53 58.480 58.480 58.021 0.459 18521 17765 1 19 . 1 1 53 53 LEU CB C 53 41.341 41.341 41.025 0.316 18521 17766 1 19 . 1 1 53 53 LEU H H 53 8.336 8.336 7.487 0.849 18521 17767 1 19 . 1 1 54 54 ASP N N 54 120.632 120.632 118.917 1.715 18521 17768 1 19 . 1 1 54 54 ASP HA H 54 4.409 4.409 4.396 0.013 18521 17769 1 19 . 1 1 54 54 ASP C C 54 179.383 179.383 178.617 0.766 18521 17770 1 19 . 1 1 54 54 ASP CA C 54 57.510 57.510 57.182 0.327 18521 17771 1 19 . 1 1 54 54 ASP CB C 54 40.275 40.275 40.574 -0.299 18521 17772 1 19 . 1 1 54 54 ASP H H 54 7.884 7.884 7.695 0.189 18521 17773 1 19 . 1 1 55 55 THR N N 55 121.006 121.006 117.238 3.768 18521 17774 1 19 . 1 1 55 55 THR HA H 55 3.923 3.923 4.037 -0.114 18521 17775 1 19 . 1 1 55 55 THR C C 55 177.066 177.066 176.936 0.130 18521 17776 1 19 . 1 1 55 55 THR CA C 55 67.018 67.018 67.416 -0.398 18521 17777 1 19 . 1 1 55 55 THR CB C 55 68.725 68.725 68.881 -0.156 18521 17778 1 19 . 1 1 55 55 THR H H 55 8.279 8.279 7.416 0.863 18521 17779 1 19 . 1 1 56 56 ILE N N 56 125.465 125.465 122.964 2.501 18521 17780 1 19 . 1 1 56 56 ILE HA H 56 3.748 3.748 3.842 -0.094 18521 17781 1 19 . 1 1 56 56 ILE C C 56 177.879 177.879 178.102 -0.223 18521 17782 1 19 . 1 1 56 56 ILE CA C 56 65.765 65.765 66.569 -0.804 18521 17783 1 19 . 1 1 56 56 ILE CB C 56 38.646 38.646 37.907 0.739 18521 17784 1 19 . 1 1 56 56 ILE H H 56 8.872 8.872 8.409 0.463 18521 17785 1 19 . 1 1 57 57 GLU N N 57 119.951 119.951 119.593 0.358 18521 17786 1 19 . 1 1 57 57 GLU HA H 57 4.034 4.034 3.972 0.062 18521 17787 1 19 . 1 1 57 57 GLU C C 57 179.357 179.357 179.124 0.233 18521 17788 1 19 . 1 1 57 57 GLU CA C 57 59.241 59.241 59.800 -0.559 18521 17789 1 19 . 1 1 57 57 GLU CB C 57 29.226 29.226 29.385 -0.159 18521 17790 1 19 . 1 1 57 57 GLU H H 57 8.024 8.024 8.421 -0.397 18521 17791 1 19 . 1 1 58 58 ALA N N 58 122.402 122.402 122.766 -0.364 18521 17792 1 19 . 1 1 58 58 ALA HA H 58 4.044 4.044 4.166 -0.122 18521 17793 1 19 . 1 1 58 58 ALA C C 58 180.049 180.049 179.598 0.451 18521 17794 1 19 . 1 1 58 58 ALA CA C 58 55.167 55.167 54.994 0.173 18521 17795 1 19 . 1 1 58 58 ALA CB C 58 17.836 17.836 18.404 -0.567 18521 17796 1 19 . 1 1 58 58 ALA H H 58 8.026 8.026 8.214 -0.188 18521 17797 1 19 . 1 1 59 59 PHE N N 59 122.034 122.034 120.615 1.419 18521 17798 1 19 . 1 1 59 59 PHE HA H 59 4.165 4.165 4.192 -0.027 18521 17799 1 19 . 1 1 59 59 PHE C C 59 177.169 177.169 177.287 -0.118 18521 17800 1 19 . 1 1 59 59 PHE CA C 59 61.373 61.373 61.386 -0.013 18521 17801 1 19 . 1 1 59 59 PHE CB C 59 39.384 39.384 39.654 -0.270 18521 17802 1 19 . 1 1 59 59 PHE H H 59 8.243 8.243 8.819 -0.576 18521 17803 1 19 . 1 1 60 60 LYS N N 60 117.415 117.415 119.505 -2.090 18521 17804 1 19 . 1 1 60 60 LYS HA H 60 3.490 3.490 3.679 -0.189 18521 17805 1 19 . 1 1 60 60 LYS C C 60 179.705 179.705 178.412 1.293 18521 17806 1 19 . 1 1 60 60 LYS CA C 60 60.051 60.051 59.387 0.664 18521 17807 1 19 . 1 1 60 60 LYS CB C 60 32.376 32.376 32.482 -0.106 18521 17808 1 19 . 1 1 60 60 LYS H H 60 7.978 7.978 8.798 -0.820 18521 17809 1 19 . 1 1 61 61 LYS N N 61 119.540 119.540 118.681 0.859 18521 17810 1 19 . 1 1 61 61 LYS HA H 61 3.942 3.942 3.980 -0.038 18521 17811 1 19 . 1 1 61 61 LYS C C 61 178.728 178.728 178.686 0.042 18521 17812 1 19 . 1 1 61 61 LYS CA C 61 58.878 58.878 59.366 -0.488 18521 17813 1 19 . 1 1 61 61 LYS CB C 61 32.626 32.626 32.300 0.326 18521 17814 1 19 . 1 1 61 61 LYS H H 61 7.853 7.853 8.112 -0.259 18521 17815 1 19 . 1 1 62 62 GLU N N 62 121.166 121.166 116.495 4.671 18521 17816 1 19 . 1 1 62 62 GLU HA H 62 3.933 3.933 4.045 -0.112 18521 17817 1 19 . 1 1 62 62 GLU C C 62 178.405 178.405 177.255 1.150 18521 17818 1 19 . 1 1 62 62 GLU CA C 62 58.655 58.655 58.490 0.165 18521 17819 1 19 . 1 1 62 62 GLU CB C 62 29.439 29.439 29.668 -0.229 18521 17820 1 19 . 1 1 62 62 GLU H H 62 7.956 7.956 7.673 0.283 18521 17821 1 19 . 1 1 63 63 ILE N N 63 117.896 117.896 116.612 1.284 18521 17822 1 19 . 1 1 63 63 ILE HA H 63 3.707 3.707 4.188 -0.481 18521 17823 1 19 . 1 1 63 63 ILE C C 63 177.438 177.438 176.739 0.699 18521 17824 1 19 . 1 1 63 63 ILE CA C 63 61.473 61.473 60.351 1.122 18521 17825 1 19 . 1 1 63 63 ILE CB C 63 36.546 36.546 38.978 -2.432 18521 17826 1 19 . 1 1 63 63 ILE H H 63 7.652 7.652 7.272 0.380 18521 17827 1 19 . 1 1 64 64 GLY N N 64 108.028 108.028 109.678 -1.650 18521 17828 1 19 . 1 1 64 64 GLY C C 64 175.261 175.261 175.248 0.013 18521 17829 1 19 . 1 1 64 64 GLY CA C 64 45.891 45.891 46.805 -0.914 18521 17830 1 19 . 1 1 64 64 GLY H H 64 7.654 7.654 8.263 -0.609 18521 17831 1 19 . 1 1 65 65 GLY N N 65 108.488 108.488 107.649 0.839 18521 17832 1 19 . 1 1 65 65 GLY C C 65 174.844 174.844 175.562 -0.718 18521 17833 1 19 . 1 1 65 65 GLY CA C 65 45.608 45.608 45.126 0.482 18521 17834 1 19 . 1 1 65 65 GLY H H 65 7.817 7.817 8.182 -0.365 18521 17835 1 19 . 1 1 66 66 GLU N N 66 121.078 121.078 119.424 1.654 18521 17836 1 19 . 1 1 66 66 GLU HA H 66 4.167 4.167 4.110 0.057 18521 17837 1 19 . 1 1 66 66 GLU C C 66 177.218 177.218 176.853 0.365 18521 17838 1 19 . 1 1 66 66 GLU CA C 66 57.075 57.075 58.528 -1.453 18521 17839 1 19 . 1 1 66 66 GLU CB C 66 30.015 30.015 29.537 0.478 18521 17840 1 19 . 1 1 66 66 GLU H H 66 8.195 8.195 8.770 -0.575 18521 17841 1 19 . 1 1 67 67 SER N N 67 116.370 116.370 110.918 5.452 18521 17842 1 19 . 1 1 67 67 SER HA H 67 4.187 4.187 4.551 -0.364 18521 17843 1 19 . 1 1 67 67 SER C C 67 174.670 174.670 175.644 -0.974 18521 17844 1 19 . 1 1 67 67 SER CA C 67 58.875 58.875 59.289 -0.414 18521 17845 1 19 . 1 1 67 67 SER CB C 67 63.783 63.783 64.786 -1.003 18521 17846 1 19 . 1 1 67 67 SER H H 67 8.205 8.205 8.154 0.051 18521 17847 1 19 . 1 1 68 68 GLU N N 68 122.388 122.388 123.253 -0.865 18521 17848 1 19 . 1 1 68 68 GLU HA H 68 4.173 4.173 4.144 0.029 18521 17849 1 19 . 1 1 68 68 GLU C C 68 176.364 176.364 178.052 -1.688 18521 17850 1 19 . 1 1 68 68 GLU CA C 68 56.734 56.734 58.889 -2.155 18521 17851 1 19 . 1 1 68 68 GLU CB C 68 29.986 29.986 29.261 0.725 18521 17852 1 19 . 1 1 68 68 GLU H H 68 8.170 8.170 8.792 -0.622 18521 17853 1 19 . 1 1 69 69 ALA N N 69 124.265 124.265 120.985 3.280 18521 17854 1 19 . 1 1 69 69 ALA HA H 69 4.212 4.212 4.390 -0.178 18521 17855 1 19 . 1 1 69 69 ALA C C 69 178.042 178.042 178.753 -0.711 18521 17856 1 19 . 1 1 69 69 ALA CA C 69 52.468 52.468 54.534 -2.066 18521 17857 1 19 . 1 1 69 69 ALA CB C 69 19.411 19.411 18.267 1.144 18521 17858 1 19 . 1 1 69 69 ALA H H 69 7.931 7.931 7.973 -0.042 18521 17859 1 19 . 1 1 70 70 GLU N N 70 121.086 121.086 117.679 3.407 18521 17860 1 19 . 1 1 70 70 GLU HA H 70 4.110 4.110 4.005 0.105 18521 17861 1 19 . 1 1 70 70 GLU C C 70 180.047 180.047 177.816 2.231 18521 17862 1 19 . 1 1 70 70 GLU CA C 70 57.325 57.325 58.844 -1.519 18521 17863 1 19 . 1 1 70 70 GLU CB C 70 29.969 29.969 29.788 0.181 18521 17864 1 19 . 1 1 70 70 GLU H H 70 8.447 8.447 7.777 0.670 18521 17865 1 19 . 1 1 71 71 ASP N N 71 120.210 120.210 118.022 2.188 18521 17866 1 19 . 1 1 71 71 ASP HA H 71 4.545 4.545 4.490 0.055 18521 17867 1 19 . 1 1 71 71 ASP C C 71 176.385 176.385 176.764 -0.379 18521 17868 1 19 . 1 1 71 71 ASP CA C 71 54.149 54.149 56.243 -2.095 18521 17869 1 19 . 1 1 71 71 ASP CB C 71 40.756 40.756 41.120 -0.364 18521 17870 1 19 . 1 1 71 71 ASP H H 71 8.308 8.308 7.585 0.723 18521 17871 1 19 . 1 1 72 72 SER N N 72 116.137 116.137 112.830 3.307 18521 17872 1 19 . 1 1 72 72 SER HA H 72 4.259 4.259 4.642 -0.383 18521 17873 1 19 . 1 1 72 72 SER C C 72 174.578 174.578 173.177 1.401 18521 17874 1 19 . 1 1 72 72 SER CA C 72 58.851 58.851 57.478 1.373 18521 17875 1 19 . 1 1 72 72 SER CB C 72 63.870 63.870 63.346 0.524 18521 17876 1 19 . 1 1 72 72 SER H H 72 7.954 7.954 7.767 0.187 18521 17877 1 19 . 1 1 73 73 ASP N N 73 122.500 122.500 124.659 -2.159 18521 17878 1 19 . 1 1 73 73 ASP HA H 73 4.534 4.534 4.768 -0.234 18521 17879 1 19 . 1 1 73 73 ASP C C 73 176.903 176.903 176.342 0.561 18521 17880 1 19 . 1 1 73 73 ASP CA C 73 54.442 54.442 54.309 0.133 18521 17881 1 19 . 1 1 73 73 ASP CB C 73 41.253 41.253 40.347 0.906 18521 17882 1 19 . 1 1 73 73 ASP H H 73 8.384 8.384 8.852 -0.468 18521 17883 1 19 . 1 1 74 74 LYS N N 74 123.374 123.374 119.739 3.635 18521 17884 1 19 . 1 1 74 74 LYS HA H 74 4.099 4.099 4.366 -0.267 18521 17885 1 19 . 1 1 74 74 LYS C C 74 177.606 177.606 178.602 -0.996 18521 17886 1 19 . 1 1 74 74 LYS CA C 74 57.527 57.527 58.176 -0.649 18521 17887 1 19 . 1 1 74 74 LYS CB C 74 32.115 32.115 33.504 -1.389 18521 17888 1 19 . 1 1 74 74 LYS H H 74 8.338 8.338 7.586 0.752 18521 17889 1 19 . 1 1 75 75 SER N N 75 116.404 116.404 115.777 0.627 18521 17890 1 19 . 1 1 75 75 SER HA H 75 4.190 4.190 4.276 -0.086 18521 17891 1 19 . 1 1 75 75 SER C C 75 176.030 176.030 176.381 -0.351 18521 17892 1 19 . 1 1 75 75 SER CA C 75 60.560 60.560 61.117 -0.557 18521 17893 1 19 . 1 1 75 75 SER CB C 75 62.971 62.971 62.703 0.268 18521 17894 1 19 . 1 1 75 75 SER H H 75 8.409 8.409 8.302 0.107 18521 17895 1 19 . 1 1 76 76 LEU N N 76 123.753 123.753 123.644 0.109 18521 17896 1 19 . 1 1 76 76 LEU HA H 76 4.121 4.121 4.073 0.048 18521 17897 1 19 . 1 1 76 76 LEU C C 76 178.263 178.263 177.514 0.749 18521 17898 1 19 . 1 1 76 76 LEU CA C 76 56.665 56.665 57.587 -0.922 18521 17899 1 19 . 1 1 76 76 LEU CB C 76 41.538 41.538 41.687 -0.149 18521 17900 1 19 . 1 1 76 76 LEU H H 76 8.068 8.068 7.670 0.398 18521 17901 1 19 . 1 1 77 77 HIS N N 77 120.235 120.235 118.472 1.763 18521 17902 1 19 . 1 1 77 77 HIS HA H 77 4.372 4.372 4.199 0.173 18521 17903 1 19 . 1 1 77 77 HIS C C 77 177.974 177.974 177.242 0.732 18521 17904 1 19 . 1 1 77 77 HIS CA C 77 58.504 58.504 60.073 -1.569 18521 17905 1 19 . 1 1 77 77 HIS CB C 77 30.124 30.124 29.698 0.426 18521 17906 1 19 . 1 1 77 77 HIS H H 77 7.955 7.955 8.153 -0.198 18521 17907 1 19 . 1 1 78 78 VAL N N 78 121.721 121.721 120.694 1.027 18521 17908 1 19 . 1 1 78 78 VAL HA H 78 3.612 3.612 3.892 -0.280 18521 17909 1 19 . 1 1 78 78 VAL C C 78 177.688 177.688 177.889 -0.201 18521 17910 1 19 . 1 1 78 78 VAL CA C 78 65.817 65.817 65.774 0.043 18521 17911 1 19 . 1 1 78 78 VAL CB C 78 31.729 31.729 31.924 -0.195 18521 17912 1 19 . 1 1 78 78 VAL H H 78 7.953 7.953 7.567 0.386 18521 17913 1 19 . 1 1 79 79 MET N N 79 119.138 119.138 118.715 0.423 18521 17914 1 19 . 1 1 79 79 MET HA H 79 3.879 3.879 3.988 -0.109 18521 17915 1 19 . 1 1 79 79 MET C C 79 180.609 180.609 177.815 2.794 18521 17916 1 19 . 1 1 79 79 MET CA C 79 59.210 59.210 59.135 0.075 18521 17917 1 19 . 1 1 79 79 MET CB C 79 34.157 34.157 32.313 1.843 18521 17918 1 19 . 1 1 79 79 MET H H 79 8.132 8.132 8.102 0.030 18521 17919 1 19 . 1 1 80 80 ASN N N 80 117.000 117.000 117.082 -0.082 18521 17920 1 19 . 1 1 80 80 ASN HA H 80 4.161 4.161 4.537 -0.376 18521 17921 1 19 . 1 1 80 80 ASN C C 80 178.212 178.212 176.990 1.222 18521 17922 1 19 . 1 1 80 80 ASN CA C 80 56.827 56.827 56.839 -0.012 18521 17923 1 19 . 1 1 80 80 ASN CB C 80 38.920 38.920 37.792 1.128 18521 17924 1 19 . 1 1 80 80 ASN H H 80 8.195 8.195 8.504 -0.309 18521 17925 1 19 . 1 1 81 81 THR N N 81 116.021 116.021 117.639 -1.618 18521 17926 1 19 . 1 1 81 81 THR HA H 81 3.975 3.975 4.109 -0.134 18521 17927 1 19 . 1 1 81 81 THR C C 81 175.237 175.237 176.724 -1.487 18521 17928 1 19 . 1 1 81 81 THR CA C 81 66.507 66.507 67.019 -0.511 18521 17929 1 19 . 1 1 81 81 THR CB C 81 68.813 68.813 68.503 0.310 18521 17930 1 19 . 1 1 81 81 THR H H 81 7.952 7.952 8.073 -0.121 18521 17931 1 19 . 1 1 82 82 LEU N N 82 119.041 119.041 119.864 -0.823 18521 17932 1 19 . 1 1 82 82 LEU HA H 82 4.040 4.040 4.126 -0.086 18521 17933 1 19 . 1 1 82 82 LEU C C 82 177.541 177.541 178.055 -0.514 18521 17934 1 19 . 1 1 82 82 LEU CA C 82 56.468 56.468 57.616 -1.148 18521 17935 1 19 . 1 1 82 82 LEU CB C 82 42.247 42.247 41.845 0.402 18521 17936 1 19 . 1 1 82 82 LEU H H 82 7.655 7.655 7.611 0.044 18521 17937 1 19 . 1 1 83 83 ILE N N 83 118.063 118.063 115.510 2.553 18521 17938 1 19 . 1 1 83 83 ILE HA H 83 3.805 3.805 3.975 -0.170 18521 17939 1 19 . 1 1 83 83 ILE C C 83 176.681 176.681 178.477 -1.796 18521 17940 1 19 . 1 1 83 83 ILE CA C 83 63.188 63.188 63.724 -0.535 18521 17941 1 19 . 1 1 83 83 ILE CB C 83 37.939 37.939 38.499 -0.560 18521 17942 1 19 . 1 1 83 83 ILE H H 83 7.455 7.455 7.180 0.275 18521 17943 1 19 . 1 1 84 84 HIS N N 84 116.118 116.118 116.735 -0.617 18521 17944 1 19 . 1 1 84 84 HIS HA H 84 4.568 4.568 4.454 0.114 18521 17945 1 19 . 1 1 84 84 HIS C C 84 175.568 175.568 175.495 0.073 18521 17946 1 19 . 1 1 84 84 HIS CA C 84 58.425 58.425 59.259 -0.834 18521 17947 1 19 . 1 1 84 84 HIS CB C 84 31.801 31.801 30.730 1.071 18521 17948 1 19 . 1 1 84 84 HIS H H 84 7.168 7.168 8.837 -1.669 18521 17949 1 19 . 1 1 85 85 ASP N N 85 122.411 122.411 119.847 2.564 18521 17950 1 19 . 1 1 85 85 ASP HA H 85 4.546 4.546 4.735 -0.189 18521 17951 1 19 . 1 1 85 85 ASP C C 85 175.527 175.527 176.861 -1.334 18521 17952 1 19 . 1 1 85 85 ASP CA C 85 53.215 53.215 53.432 -0.217 18521 17953 1 19 . 1 1 85 85 ASP CB C 85 40.936 40.936 40.783 0.153 18521 17954 1 19 . 1 1 85 85 ASP H H 85 8.576 8.576 8.055 0.521 18521 17955 1 19 . 1 1 86 86 GLN N N 86 122.561 122.561 126.842 -4.281 18521 17956 1 19 . 1 1 86 86 GLN HA H 86 4.077 4.077 4.199 -0.122 18521 17957 1 19 . 1 1 86 86 GLN C C 86 178.518 178.518 178.220 0.298 18521 17958 1 19 . 1 1 86 86 GLN CA C 86 57.816 57.816 58.663 -0.847 18521 17959 1 19 . 1 1 86 86 GLN CB C 86 29.165 29.165 28.784 0.381 18521 17960 1 19 . 1 1 86 86 GLN H H 86 8.715 8.715 8.488 0.227 18521 17961 1 19 . 1 1 87 87 GLU N N 87 121.616 121.616 120.354 1.262 18521 17962 1 19 . 1 1 87 87 GLU HA H 87 4.042 4.042 3.748 0.294 18521 17963 1 19 . 1 1 87 87 GLU C C 87 178.154 178.154 178.246 -0.092 18521 17964 1 19 . 1 1 87 87 GLU CA C 87 59.051 59.051 59.667 -0.616 18521 17965 1 19 . 1 1 87 87 GLU CB C 87 29.231 29.231 29.017 0.214 18521 17966 1 19 . 1 1 87 87 GLU H H 87 8.073 8.073 7.887 0.186 18521 17967 1 19 . 1 1 88 88 LYS N N 88 119.006 119.006 119.239 -0.233 18521 17968 1 19 . 1 1 88 88 LYS HA H 88 3.754 3.754 4.067 -0.313 18521 17969 1 19 . 1 1 88 88 LYS C C 88 177.129 177.129 178.627 -1.498 18521 17970 1 19 . 1 1 88 88 LYS CA C 88 59.721 59.721 59.152 0.569 18521 17971 1 19 . 1 1 88 88 LYS CB C 88 32.253 32.253 32.260 -0.007 18521 17972 1 19 . 1 1 88 88 LYS H H 88 7.525 7.525 8.366 -0.841 18521 17973 1 19 . 1 1 89 89 ALA N N 89 121.945 121.945 121.593 0.352 18521 17974 1 19 . 1 1 89 89 ALA HA H 89 3.734 3.734 4.057 -0.323 18521 17975 1 19 . 1 1 89 89 ALA C C 89 177.545 177.545 178.995 -1.450 18521 17976 1 19 . 1 1 89 89 ALA CA C 89 55.977 55.977 55.172 0.805 18521 17977 1 19 . 1 1 89 89 ALA CB C 89 18.763 18.763 18.050 0.713 18521 17978 1 19 . 1 1 89 89 ALA H H 89 8.472 8.472 8.000 0.472 18521 17979 1 19 . 1 1 90 90 LYS N N 90 117.743 117.743 119.000 -1.257 18521 17980 1 19 . 1 1 90 90 LYS HA H 90 4.015 4.015 2.809 1.206 18521 17981 1 19 . 1 1 90 90 LYS C C 90 177.667 177.667 178.445 -0.778 18521 17982 1 19 . 1 1 90 90 LYS CA C 90 58.703 58.703 58.794 -0.091 18521 17983 1 19 . 1 1 90 90 LYS CB C 90 32.779 32.779 31.529 1.250 18521 17984 1 19 . 1 1 90 90 LYS H H 90 6.684 6.684 7.633 -0.949 18521 17985 1 19 . 1 1 91 91 ILE N N 91 117.216 117.216 118.954 -1.738 18521 17986 1 19 . 1 1 91 91 ILE HA H 91 3.414 3.414 3.584 -0.170 18521 17987 1 19 . 1 1 91 91 ILE C C 91 178.422 178.422 177.817 0.605 18521 17988 1 19 . 1 1 91 91 ILE CA C 91 64.094 64.094 65.165 -1.071 18521 17989 1 19 . 1 1 91 91 ILE CB C 91 37.481 37.481 37.842 -0.361 18521 17990 1 19 . 1 1 91 91 ILE H H 91 7.196 7.196 7.299 -0.103 18521 17991 1 19 . 1 1 92 92 TYR N N 92 122.201 122.201 120.645 1.556 18521 17992 1 19 . 1 1 92 92 TYR HA H 92 4.047 4.047 4.069 -0.022 18521 17993 1 19 . 1 1 92 92 TYR C C 92 177.726 177.726 177.561 0.165 18521 17994 1 19 . 1 1 92 92 TYR CA C 92 61.771 61.771 61.828 -0.057 18521 17995 1 19 . 1 1 92 92 TYR CB C 92 39.295 39.295 38.497 0.798 18521 17996 1 19 . 1 1 92 92 TYR H H 92 8.466 8.466 7.648 0.818 18521 17997 1 19 . 1 1 93 93 MET N N 93 117.420 117.420 119.862 -2.442 18521 17998 1 19 . 1 1 93 93 MET HA H 93 3.896 3.896 4.017 -0.121 18521 17999 1 19 . 1 1 93 93 MET C C 93 180.221 180.221 177.732 2.489 18521 18000 1 19 . 1 1 93 93 MET CA C 93 57.586 57.586 58.346 -0.760 18521 18001 1 19 . 1 1 93 93 MET CB C 93 30.854 30.854 32.179 -1.325 18521 18002 1 19 . 1 1 93 93 MET H H 93 8.269 8.269 8.900 -0.631 18521 18003 1 19 . 1 1 94 94 LEU N N 94 125.183 125.183 120.714 4.469 18521 18004 1 19 . 1 1 94 94 LEU HA H 94 3.826 3.826 3.892 -0.066 18521 18005 1 19 . 1 1 94 94 LEU C C 94 177.787 177.787 178.190 -0.403 18521 18006 1 19 . 1 1 94 94 LEU CA C 94 58.729 58.729 58.605 0.124 18521 18007 1 19 . 1 1 94 94 LEU CB C 94 42.188 42.188 41.444 0.744 18521 18008 1 19 . 1 1 94 94 LEU H H 94 8.733 8.733 8.203 0.530 18521 18009 1 19 . 1 1 95 95 ASN N N 95 121.517 121.517 117.935 3.582 18521 18010 1 19 . 1 1 95 95 ASN HA H 95 4.184 4.184 4.311 -0.127 18521 18011 1 19 . 1 1 95 95 ASN C C 95 178.481 178.481 177.537 0.944 18521 18012 1 19 . 1 1 95 95 ASN CA C 95 56.312 56.312 56.763 -0.451 18521 18013 1 19 . 1 1 95 95 ASN H H 95 8.951 8.951 8.022 0.929 18521 18014 1 19 . 1 1 96 96 PHE N N 96 122.778 122.778 121.049 1.729 18521 18015 1 19 . 1 1 96 96 PHE HA H 96 4.341 4.341 4.060 0.281 18521 18016 1 19 . 1 1 96 96 PHE C C 96 177.925 177.925 176.976 0.949 18521 18017 1 19 . 1 1 96 96 PHE CA C 96 62.427 62.427 61.795 0.632 18521 18018 1 19 . 1 1 96 96 PHE H H 96 8.454 8.454 8.573 -0.119 18521 18019 1 19 . 1 1 97 97 THR N N 97 117.115 117.115 116.613 0.502 18521 18020 1 19 . 1 1 97 97 THR HA H 97 3.369 3.369 3.736 -0.367 18521 18021 1 19 . 1 1 97 97 THR C C 97 176.185 176.185 176.854 -0.669 18521 18022 1 19 . 1 1 97 97 THR CA C 97 68.090 68.090 67.234 0.856 18521 18023 1 19 . 1 1 97 97 THR CB C 97 68.087 68.087 68.539 -0.452 18521 18024 1 19 . 1 1 97 97 THR H H 97 8.209 8.209 8.735 -0.526 18521 18025 1 19 . 1 1 98 98 MET N N 98 119.373 119.373 120.187 -0.814 18521 18026 1 19 . 1 1 98 98 MET HA H 98 4.360 4.360 4.460 -0.100 18521 18027 1 19 . 1 1 98 98 MET C C 98 177.887 177.887 178.712 -0.825 18521 18028 1 19 . 1 1 98 98 MET CA C 98 58.143 58.143 57.184 0.959 18521 18029 1 19 . 1 1 98 98 MET CB C 98 31.948 31.948 30.993 0.955 18521 18030 1 19 . 1 1 98 98 MET H H 98 8.958 8.958 8.846 0.112 18521 18031 1 19 . 1 1 99 99 SER N N 99 114.517 114.517 116.209 -1.692 18521 18032 1 19 . 1 1 99 99 SER HA H 99 4.043 4.043 4.117 -0.074 18521 18033 1 19 . 1 1 99 99 SER C C 99 176.195 176.195 176.681 -0.486 18521 18034 1 19 . 1 1 99 99 SER CA C 99 62.481 62.481 62.094 0.387 18521 18035 1 19 . 1 1 99 99 SER CB C 99 62.692 62.692 62.864 -0.172 18521 18036 1 19 . 1 1 99 99 SER H H 99 7.708 7.708 8.348 -0.640 18521 18037 1 19 . 1 1 100 100 LEU N N 100 125.126 125.126 123.188 1.938 18521 18038 1 19 . 1 1 100 100 LEU HA H 100 3.913 3.913 4.011 -0.098 18521 18039 1 19 . 1 1 100 100 LEU C C 100 177.327 177.327 178.113 -0.786 18521 18040 1 19 . 1 1 100 100 LEU CA C 100 58.005 58.005 57.295 0.710 18521 18041 1 19 . 1 1 100 100 LEU CB C 100 41.841 41.841 41.539 0.302 18521 18042 1 19 . 1 1 100 100 LEU H H 100 7.277 7.277 7.566 -0.289 18521 18043 1 19 . 1 1 101 101 TYR N N 101 120.940 120.940 119.718 1.222 18521 18044 1 19 . 1 1 101 101 TYR HA H 101 4.143 4.143 4.241 -0.098 18521 18045 1 19 . 1 1 101 101 TYR C C 101 176.784 176.784 177.392 -0.608 18521 18046 1 19 . 1 1 101 101 TYR CA C 101 61.543 61.543 60.591 0.952 18521 18047 1 19 . 1 1 101 101 TYR CB C 101 40.909 40.909 38.354 2.555 18521 18048 1 19 . 1 1 101 101 TYR H H 101 8.858 8.858 8.577 0.281 18521 18049 1 19 . 1 1 102 102 ASN N N 102 119.067 119.067 117.130 1.937 18521 18050 1 19 . 1 1 102 102 ASN HA H 102 4.116 4.116 4.082 0.034 18521 18051 1 19 . 1 1 102 102 ASN C C 102 178.713 178.713 177.415 1.298 18521 18052 1 19 . 1 1 102 102 ASN CA C 102 55.734 55.734 55.877 -0.143 18521 18053 1 19 . 1 1 102 102 ASN H H 102 8.700 8.700 8.962 -0.262 18521 18054 1 19 . 1 1 103 103 GLU N N 103 119.558 119.558 120.849 -1.291 18521 18055 1 19 . 1 1 103 103 GLU HA H 103 3.944 3.944 3.905 0.039 18521 18056 1 19 . 1 1 103 103 GLU C C 103 179.012 179.012 178.661 0.351 18521 18057 1 19 . 1 1 103 103 GLU CA C 103 59.506 59.506 59.591 -0.085 18521 18058 1 19 . 1 1 103 103 GLU CB C 103 29.349 29.349 29.523 -0.174 18521 18059 1 19 . 1 1 103 103 GLU H H 103 7.599 7.599 8.011 -0.412 18521 18060 1 19 . 1 1 104 104 LYS N N 104 120.218 120.218 118.214 2.004 18521 18061 1 19 . 1 1 104 104 LYS HA H 104 4.051 4.051 4.013 0.038 18521 18062 1 19 . 1 1 104 104 LYS C C 104 178.477 178.477 178.933 -0.456 18521 18063 1 19 . 1 1 104 104 LYS CA C 104 56.534 56.534 58.406 -1.872 18521 18064 1 19 . 1 1 104 104 LYS CB C 104 29.108 29.108 32.206 -3.098 18521 18065 1 19 . 1 1 104 104 LYS H H 104 8.311 8.311 7.422 0.889 18521 18066 1 19 . 1 1 105 105 LEU N N 105 122.110 122.110 119.528 2.582 18521 18067 1 19 . 1 1 105 105 LEU HA H 105 3.774 3.774 3.882 -0.108 18521 18068 1 19 . 1 1 105 105 LEU C C 105 180.224 180.224 178.731 1.493 18521 18069 1 19 . 1 1 105 105 LEU CA C 105 58.148 58.148 57.729 0.419 18521 18070 1 19 . 1 1 105 105 LEU CB C 105 42.394 42.394 41.169 1.225 18521 18071 1 19 . 1 1 105 105 LEU H H 105 8.604 8.604 7.735 0.869 18521 18072 1 19 . 1 1 106 106 LYS N N 106 119.031 119.031 119.147 -0.116 18521 18073 1 19 . 1 1 106 106 LYS HA H 106 4.035 4.035 3.849 0.186 18521 18074 1 19 . 1 1 106 106 LYS C C 106 178.496 178.496 178.690 -0.194 18521 18075 1 19 . 1 1 106 106 LYS CA C 106 59.820 59.820 59.223 0.597 18521 18076 1 19 . 1 1 106 106 LYS CB C 106 31.956 31.956 31.957 -0.001 18521 18077 1 19 . 1 1 106 106 LYS H H 106 7.339 7.339 7.905 -0.566 18521 18078 1 19 . 1 1 107 107 GLN N N 107 121.417 121.417 117.495 3.922 18521 18079 1 19 . 1 1 107 107 GLN HA H 107 3.744 3.744 3.787 -0.043 18521 18080 1 19 . 1 1 107 107 GLN C C 107 178.103 178.103 178.705 -0.602 18521 18081 1 19 . 1 1 107 107 GLN CA C 107 58.582 58.582 58.416 0.166 18521 18082 1 19 . 1 1 107 107 GLN CB C 107 26.969 26.969 27.982 -1.013 18521 18083 1 19 . 1 1 107 107 GLN H H 107 7.590 7.590 7.482 0.108 18521 18084 1 19 . 1 1 108 108 LEU N N 108 120.629 120.629 118.393 2.236 18521 18085 1 19 . 1 1 108 108 LEU HA H 108 3.806 3.806 4.477 -0.671 18521 18086 1 19 . 1 1 108 108 LEU C C 108 178.978 178.978 178.354 0.624 18521 18087 1 19 . 1 1 108 108 LEU CA C 108 58.306 58.306 57.507 0.799 18521 18088 1 19 . 1 1 108 108 LEU CB C 108 42.112 42.112 41.706 0.406 18521 18089 1 19 . 1 1 108 108 LEU H H 108 8.450 8.450 7.361 1.089 18521 18090 1 19 . 1 1 109 109 LYS N N 109 119.584 119.584 117.388 2.196 18521 18091 1 19 . 1 1 109 109 LYS HA H 109 4.166 4.166 4.087 0.079 18521 18092 1 19 . 1 1 109 109 LYS C C 109 177.859 177.859 177.097 0.762 18521 18093 1 19 . 1 1 109 109 LYS CA C 109 58.746 58.746 58.700 0.046 18521 18094 1 19 . 1 1 109 109 LYS CB C 109 32.637 32.637 32.780 -0.143 18521 18095 1 19 . 1 1 109 109 LYS H H 109 7.295 7.295 7.697 -0.402 18521 18096 1 19 . 1 1 110 110 ASP N N 110 116.950 116.950 113.289 3.661 18521 18097 1 19 . 1 1 110 110 ASP HA H 110 4.604 4.604 4.998 -0.394 18521 18098 1 19 . 1 1 110 110 ASP C C 110 177.157 177.157 174.944 2.213 18521 18099 1 19 . 1 1 110 110 ASP CA C 110 55.768 55.768 54.409 1.359 18521 18100 1 19 . 1 1 110 110 ASP CB C 110 42.724 42.724 43.208 -0.484 18521 18101 1 19 . 1 1 110 110 ASP H H 110 7.807 7.807 7.764 0.043 18521 18102 1 19 . 1 1 111 111 GLY N N 111 114.046 114.046 110.079 3.967 18521 18103 1 19 . 1 1 111 111 GLY CA C 111 41.845 41.845 44.214 -2.369 18521 18104 1 19 . 1 1 111 111 GLY H H 111 8.554 8.554 7.350 1.204 18521 18105 1 19 . 1 1 112 112 PRO HA H 112 4.552 4.552 4.111 0.441 18521 18106 1 19 . 1 1 112 112 PRO C C 112 174.967 174.967 175.790 -0.823 18521 18107 1 19 . 1 1 112 112 PRO CA C 112 61.222 61.222 62.842 -1.620 18521 18108 1 19 . 1 1 112 112 PRO CB C 112 35.056 35.056 32.241 2.815 18521 18109 1 19 . 1 1 113 113 TRP N N 113 123.139 123.139 123.758 -0.619 18521 18110 1 19 . 1 1 113 113 TRP HA H 113 4.650 4.650 4.853 -0.203 18521 18111 1 19 . 1 1 113 113 TRP C C 113 174.604 174.604 175.161 -0.557 18521 18112 1 19 . 1 1 113 113 TRP CA C 113 58.154 58.154 56.601 1.553 18521 18113 1 19 . 1 1 113 113 TRP CB C 113 27.048 27.048 31.421 -4.373 18521 18114 1 19 . 1 1 113 113 TRP H H 113 8.671 8.671 8.565 0.106 18521 18115 1 19 . 1 1 114 114 ASP N N 114 121.440 121.440 118.505 2.935 18521 18116 1 19 . 1 1 114 114 ASP HA H 114 4.930 4.930 4.813 0.117 18521 18117 1 19 . 1 1 114 114 ASP C C 114 176.979 176.979 176.389 0.590 18521 18118 1 19 . 1 1 114 114 ASP CA C 114 52.223 52.223 52.411 -0.188 18521 18119 1 19 . 1 1 114 114 ASP CB C 114 43.192 43.192 42.414 0.778 18521 18120 1 19 . 1 1 114 114 ASP H H 114 6.950 6.950 8.087 -1.137 18521 18121 1 19 . 1 1 115 115 VAL N N 115 118.386 118.386 120.146 -1.760 18521 18122 1 19 . 1 1 115 115 VAL HA H 115 3.825 3.825 3.765 0.060 18521 18123 1 19 . 1 1 115 115 VAL C C 115 177.760 177.760 178.105 -0.345 18521 18124 1 19 . 1 1 115 115 VAL CA C 115 65.611 65.611 66.035 -0.424 18521 18125 1 19 . 1 1 115 115 VAL CB C 115 31.657 31.657 32.010 -0.353 18521 18126 1 19 . 1 1 115 115 VAL H H 115 8.181 8.181 8.460 -0.279 18521 18127 1 19 . 1 1 116 116 MET N N 116 120.354 120.354 119.220 1.134 18521 18128 1 19 . 1 1 116 116 MET HA H 116 4.284 4.284 4.165 0.119 18521 18129 1 19 . 1 1 116 116 MET C C 116 179.336 179.336 178.393 0.943 18521 18130 1 19 . 1 1 116 116 MET CA C 116 57.392 57.392 58.815 -1.423 18521 18131 1 19 . 1 1 116 116 MET CB C 116 30.450 30.450 32.222 -1.772 18521 18132 1 19 . 1 1 116 116 MET H H 116 7.661 7.661 7.997 -0.336 18521 18133 1 19 . 1 1 117 117 LEU N N 117 125.774 125.774 120.388 5.386 18521 18134 1 19 . 1 1 117 117 LEU HA H 117 4.129 4.129 3.977 0.152 18521 18135 1 19 . 1 1 117 117 LEU C C 117 178.399 178.399 177.889 0.510 18521 18136 1 19 . 1 1 117 117 LEU CA C 117 58.353 58.353 58.839 -0.486 18521 18137 1 19 . 1 1 117 117 LEU CB C 117 40.392 40.392 41.570 -1.178 18521 18138 1 19 . 1 1 117 117 LEU H H 117 8.179 8.179 9.052 -0.873 18521 18139 1 19 . 1 1 118 118 LYS N N 118 118.471 118.471 118.789 -0.318 18521 18140 1 19 . 1 1 118 118 LYS HA H 118 3.824 3.824 3.940 -0.116 18521 18141 1 19 . 1 1 118 118 LYS C C 118 178.259 178.259 179.115 -0.856 18521 18142 1 19 . 1 1 118 118 LYS CA C 118 60.497 60.497 60.013 0.485 18521 18143 1 19 . 1 1 118 118 LYS CB C 118 32.355 32.355 32.297 0.058 18521 18144 1 19 . 1 1 118 118 LYS H H 118 7.359 7.359 7.478 -0.119 18521 18145 1 19 . 1 1 119 119 ARG N N 119 117.838 117.838 118.661 -0.823 18521 18146 1 19 . 1 1 119 119 ARG HA H 119 4.158 4.158 4.345 -0.187 18521 18147 1 19 . 1 1 119 119 ARG C C 119 180.132 180.132 179.193 0.939 18521 18148 1 19 . 1 1 119 119 ARG CA C 119 59.535 59.535 59.390 0.145 18521 18149 1 19 . 1 1 119 119 ARG CB C 119 29.994 29.994 30.340 -0.346 18521 18150 1 19 . 1 1 119 119 ARG H H 119 8.316 8.316 8.073 0.243 18521 18151 1 19 . 1 1 120 120 SER N N 120 117.258 117.258 116.935 0.323 18521 18152 1 19 . 1 1 120 120 SER HA H 120 4.374 4.374 4.267 0.107 18521 18153 1 19 . 1 1 120 120 SER C C 120 176.034 176.034 176.809 -0.775 18521 18154 1 19 . 1 1 120 120 SER CA C 120 62.728 62.728 62.551 0.177 18521 18155 1 19 . 1 1 120 120 SER CB C 120 63.050 63.050 63.089 -0.039 18521 18156 1 19 . 1 1 120 120 SER H H 120 8.598 8.598 8.352 0.246 18521 18157 1 19 . 1 1 121 121 LEU N N 121 125.307 125.307 121.590 3.717 18521 18158 1 19 . 1 1 121 121 LEU HA H 121 4.192 4.192 4.154 0.038 18521 18159 1 19 . 1 1 121 121 LEU C C 121 179.621 179.621 178.697 0.924 18521 18160 1 19 . 1 1 121 121 LEU CA C 121 58.894 58.894 57.986 0.908 18521 18161 1 19 . 1 1 121 121 LEU CB C 121 41.188 41.188 41.516 -0.328 18521 18162 1 19 . 1 1 121 121 LEU H H 121 8.250 8.250 8.252 -0.002 18521 18163 1 19 . 1 1 122 122 TRP N N 122 120.444 120.444 119.312 1.132 18521 18164 1 19 . 1 1 122 122 TRP HA H 122 4.368 4.368 4.359 0.009 18521 18165 1 19 . 1 1 122 122 TRP C C 122 176.943 176.943 178.606 -1.663 18521 18166 1 19 . 1 1 122 122 TRP CA C 122 61.452 61.452 61.335 0.117 18521 18167 1 19 . 1 1 122 122 TRP CB C 122 29.823 29.823 29.143 0.680 18521 18168 1 19 . 1 1 122 122 TRP H H 122 7.873 7.873 7.591 0.282 18521 18169 1 19 . 1 1 123 123 CYS N N 123 120.188 120.188 119.389 0.799 18521 18170 1 19 . 1 1 123 123 CYS HA H 123 4.264 4.264 4.311 -0.047 18521 18171 1 19 . 1 1 123 123 CYS C C 123 176.875 176.875 177.006 -0.131 18521 18172 1 19 . 1 1 123 123 CYS CA C 123 60.573 60.573 61.664 -1.091 18521 18173 1 19 . 1 1 123 123 CYS CB C 123 25.642 25.642 26.878 -1.236 18521 18174 1 19 . 1 1 123 123 CYS H H 123 8.271 8.271 8.032 0.239 18521 18175 1 19 . 1 1 124 124 CYS N N 124 116.760 116.760 119.533 -2.773 18521 18176 1 19 . 1 1 124 124 CYS HA H 124 3.880 3.880 4.130 -0.250 18521 18177 1 19 . 1 1 124 124 CYS C C 124 175.810 175.810 177.290 -1.480 18521 18178 1 19 . 1 1 124 124 CYS CA C 124 65.646 65.646 64.210 1.435 18521 18179 1 19 . 1 1 124 124 CYS CB C 124 28.069 28.069 26.997 1.072 18521 18180 1 19 . 1 1 124 124 CYS H H 124 8.208 8.208 7.954 0.254 18521 18181 1 19 . 1 1 125 125 ILE N N 125 121.167 121.167 121.475 -0.308 18521 18182 1 19 . 1 1 125 125 ILE HA H 125 3.580 3.580 3.812 -0.232 18521 18183 1 19 . 1 1 125 125 ILE C C 125 179.302 179.302 177.694 1.608 18521 18184 1 19 . 1 1 125 125 ILE CA C 125 67.663 67.663 66.038 1.625 18521 18185 1 19 . 1 1 125 125 ILE CB C 125 37.988 37.988 37.533 0.455 18521 18186 1 19 . 1 1 125 125 ILE H H 125 8.073 8.073 8.186 -0.113 18521 18187 1 19 . 1 1 126 126 ASP N N 126 124.812 124.812 120.069 4.743 18521 18188 1 19 . 1 1 126 126 ASP HA H 126 4.622 4.622 4.520 0.102 18521 18189 1 19 . 1 1 126 126 ASP C C 126 178.091 178.091 179.047 -0.956 18521 18190 1 19 . 1 1 126 126 ASP CA C 126 58.885 58.885 57.483 1.402 18521 18191 1 19 . 1 1 126 126 ASP CB C 126 40.408 40.408 40.430 -0.022 18521 18192 1 19 . 1 1 126 126 ASP H H 126 8.778 8.778 7.821 0.957 18521 18193 1 19 . 1 1 127 127 LEU N N 127 122.531 122.531 120.032 2.499 18521 18194 1 19 . 1 1 127 127 LEU HA H 127 3.841 3.841 3.869 -0.028 18521 18195 1 19 . 1 1 127 127 LEU C C 127 179.582 179.582 178.957 0.625 18521 18196 1 19 . 1 1 127 127 LEU CA C 127 58.632 58.632 57.799 0.833 18521 18197 1 19 . 1 1 127 127 LEU CB C 127 42.680 42.680 41.565 1.115 18521 18198 1 19 . 1 1 127 127 LEU H H 127 8.888 8.888 7.471 1.417 18521 18199 1 19 . 1 1 128 128 ILE N N 128 121.311 121.311 118.883 2.428 18521 18200 1 19 . 1 1 128 128 ILE HA H 128 3.938 3.938 3.731 0.207 18521 18201 1 19 . 1 1 128 128 ILE C C 128 176.725 176.725 178.100 -1.375 18521 18202 1 19 . 1 1 128 128 ILE CA C 128 60.922 60.922 64.998 -4.076 18521 18203 1 19 . 1 1 128 128 ILE CB C 128 38.971 38.971 37.173 1.798 18521 18204 1 19 . 1 1 128 128 ILE H H 128 7.469 7.469 7.917 -0.448 18521 18205 1 19 . 1 1 129 129 ASN N N 129 122.727 122.727 117.901 4.826 18521 18206 1 19 . 1 1 129 129 ASN HA H 129 4.582 4.582 4.353 0.229 18521 18207 1 19 . 1 1 129 129 ASN C C 129 177.132 177.132 177.296 -0.164 18521 18208 1 19 . 1 1 129 129 ASN CA C 129 52.982 52.982 56.417 -3.435 18521 18209 1 19 . 1 1 129 129 ASN CB C 129 38.792 38.792 38.375 0.417 18521 18210 1 19 . 1 1 129 129 ASN H H 129 8.173 8.173 8.056 0.117 18521 18211 1 19 . 1 1 130 130 ILE N N 130 120.527 120.527 121.031 -0.504 18521 18212 1 19 . 1 1 130 130 ILE HA H 130 4.305 4.305 2.146 2.159 18521 18213 1 19 . 1 1 130 130 ILE C C 130 175.796 175.796 177.323 -1.527 18521 18214 1 19 . 1 1 130 130 ILE CA C 130 61.246 61.246 64.069 -2.823 18521 18215 1 19 . 1 1 130 130 ILE CB C 130 38.797 38.797 37.229 1.568 18521 18216 1 19 . 1 1 130 130 ILE H H 130 8.096 8.096 7.417 0.679 18521 18217 1 19 . 1 1 131 131 ASP N N 131 122.165 122.165 122.067 0.098 18521 18218 1 19 . 1 1 131 131 ASP HA H 131 4.416 4.416 4.052 0.364 18521 18219 1 19 . 1 1 131 131 ASP C C 131 176.750 176.750 178.465 -1.715 18521 18220 1 19 . 1 1 131 131 ASP CA C 131 55.955 55.955 57.797 -1.842 18521 18221 1 19 . 1 1 131 131 ASP CB C 131 41.117 41.117 40.620 0.497 18521 18222 1 19 . 1 1 131 131 ASP H H 131 8.157 8.157 7.663 0.494 18521 18223 1 19 . 1 1 132 132 LYS N N 132 119.537 119.537 118.071 1.466 18521 18224 1 19 . 1 1 132 132 LYS HA H 132 4.373 4.373 3.911 0.462 18521 18225 1 19 . 1 1 132 132 LYS C C 132 176.405 176.405 178.253 -1.848 18521 18226 1 19 . 1 1 132 132 LYS CA C 132 55.699 55.699 59.228 -3.529 18521 18227 1 19 . 1 1 132 132 LYS CB C 132 32.822 32.822 32.122 0.700 18521 18228 1 19 . 1 1 132 132 LYS H H 132 8.023 8.023 7.542 0.481 18521 18229 1 19 . 1 1 133 133 LEU N N 133 120.242 120.242 119.901 0.341 18521 18230 1 19 . 1 1 133 133 LEU HA H 133 4.158 4.158 4.269 -0.111 18521 18231 1 19 . 1 1 133 133 LEU C C 133 178.449 178.449 179.700 -1.251 18521 18232 1 19 . 1 1 133 133 LEU CA C 133 57.538 57.538 58.121 -0.583 18521 18233 1 19 . 1 1 133 133 LEU CB C 133 41.572 41.572 42.692 -1.120 18521 18234 1 19 . 1 1 133 133 LEU H H 133 8.024 8.024 7.454 0.570 18521 18235 1 19 . 1 1 134 134 GLN N N 134 117.985 117.985 117.860 0.125 18521 18236 1 19 . 1 1 134 134 GLN HA H 134 4.018 4.018 3.765 0.253 18521 18237 1 19 . 1 1 134 134 GLN C C 134 179.500 179.500 176.839 2.661 18521 18238 1 19 . 1 1 134 134 GLN CA C 134 58.175 58.175 57.898 0.277 18521 18239 1 19 . 1 1 134 134 GLN CB C 134 29.102 29.102 28.170 0.932 18521 18240 1 19 . 1 1 134 134 GLN H H 134 8.536 8.536 8.177 0.359 18521 18241 1 19 . 1 1 135 135 TRP N N 135 115.550 115.550 115.840 -0.290 18521 18242 1 19 . 1 1 135 135 TRP HA H 135 4.991 4.991 4.887 0.104 18521 18243 1 19 . 1 1 135 135 TRP C C 135 175.170 175.170 175.218 -0.048 18521 18244 1 19 . 1 1 135 135 TRP CA C 135 59.426 59.426 56.046 3.380 18521 18245 1 19 . 1 1 135 135 TRP CB C 135 26.894 26.894 28.320 -1.425 18521 18246 1 19 . 1 1 135 135 TRP H H 135 7.727 7.727 7.341 0.386 18521 18247 1 19 . 1 1 136 136 LYS N N 136 119.841 119.841 120.453 -0.612 18521 18248 1 19 . 1 1 136 136 LYS HA H 136 3.830 3.830 4.054 -0.224 18521 18249 1 19 . 1 1 136 136 LYS C C 136 178.330 178.330 178.760 -0.430 18521 18250 1 19 . 1 1 136 136 LYS CA C 136 60.194 60.194 60.119 0.075 18521 18251 1 19 . 1 1 136 136 LYS CB C 136 32.902 32.902 32.502 0.400 18521 18252 1 19 . 1 1 136 136 LYS H H 136 6.580 6.580 7.864 -1.284 18521 18253 1 19 . 1 1 137 137 GLU N N 137 115.250 115.250 116.122 -0.872 18521 18254 1 19 . 1 1 137 137 GLU HA H 137 4.177 4.177 4.147 0.030 18521 18255 1 19 . 1 1 137 137 GLU C C 137 176.698 176.698 177.087 -0.389 18521 18256 1 19 . 1 1 137 137 GLU CA C 137 57.766 57.766 58.356 -0.590 18521 18257 1 19 . 1 1 137 137 GLU CB C 137 29.221 29.221 29.342 -0.121 18521 18258 1 19 . 1 1 137 137 GLU H H 137 8.549 8.549 8.733 -0.184 18521 18259 1 19 . 1 1 138 138 ASN N N 138 116.578 116.578 115.671 0.907 18521 18260 1 19 . 1 1 138 138 ASN HA H 138 4.943 4.943 4.753 0.190 18521 18261 1 19 . 1 1 138 138 ASN C C 138 173.448 173.448 174.158 -0.710 18521 18262 1 19 . 1 1 138 138 ASN CA C 138 52.681 52.681 53.329 -0.648 18521 18263 1 19 . 1 1 138 138 ASN CB C 138 40.833 40.833 39.291 1.542 18521 18264 1 19 . 1 1 138 138 ASN H H 138 8.337 8.337 7.717 0.620 18521 18265 1 19 . 1 1 139 139 ILE N N 139 120.835 120.835 120.361 0.474 18521 18266 1 19 . 1 1 139 139 ILE HA H 139 4.339 4.339 4.268 0.071 18521 18267 1 19 . 1 1 139 139 ILE C C 139 175.219 175.219 174.915 0.304 18521 18268 1 19 . 1 1 139 139 ILE CA C 139 60.867 60.867 60.851 0.016 18521 18269 1 19 . 1 1 139 139 ILE CB C 139 40.270 40.270 40.119 0.151 18521 18270 1 19 . 1 1 139 139 ILE H H 139 7.138 7.138 7.242 -0.104 18521 18271 1 19 . 1 1 140 140 MET N N 140 123.319 123.319 121.986 1.333 18521 18272 1 19 . 1 1 140 140 MET HA H 140 4.324 4.324 4.477 -0.153 18521 18273 1 19 . 1 1 140 140 MET C C 140 177.931 177.931 177.092 0.839 18521 18274 1 19 . 1 1 140 140 MET CA C 140 58.511 58.511 54.923 3.588 18521 18275 1 19 . 1 1 140 140 MET CB C 140 65.156 65.156 64.219 0.937 18521 18276 1 19 . 1 1 140 140 MET H H 140 8.714 8.714 8.621 0.093 18521 18277 1 19 . 1 1 141 141 LEU N N 141 120.610 120.610 123.625 -3.015 18521 18278 1 19 . 1 1 141 141 LEU HA H 141 4.047 4.047 3.981 0.066 18521 18279 1 19 . 1 1 141 141 LEU C C 141 177.281 177.281 178.695 -1.414 18521 18280 1 19 . 1 1 141 141 LEU CA C 141 58.362 58.362 58.546 -0.184 18521 18281 1 19 . 1 1 141 141 LEU H H 141 8.333 8.333 8.867 -0.534 18521 18282 1 19 . 1 1 142 142 ASP N N 142 121.268 121.268 120.483 0.785 18521 18283 1 19 . 1 1 142 142 ASP HA H 142 4.415 4.415 4.403 0.012 18521 18284 1 19 . 1 1 142 142 ASP C C 142 175.916 175.916 178.373 -2.457 18521 18285 1 19 . 1 1 142 142 ASP CA C 142 54.678 54.678 58.116 -3.438 18521 18286 1 19 . 1 1 142 142 ASP CB C 142 68.329 68.329 68.091 0.238 18521 18287 1 19 . 1 1 142 142 ASP H H 142 8.199 8.199 8.324 -0.125 18521 18288 1 19 . 1 1 143 143 LEU N N 143 120.218 120.218 121.933 -1.715 18521 18289 1 19 . 1 1 143 143 LEU HA H 143 4.108 4.108 4.174 -0.066 18521 18290 1 19 . 1 1 143 143 LEU C C 143 176.205 176.205 179.072 -2.867 18521 18291 1 19 . 1 1 143 143 LEU CA C 143 57.314 57.314 57.859 -0.545 18521 18292 1 19 . 1 1 143 143 LEU CB C 143 39.700 39.700 41.511 -1.811 18521 18293 1 19 . 1 1 143 143 LEU H H 143 7.858 7.858 8.130 -0.272 18521 18294 1 19 . 1 1 144 144 ILE N N 144 121.582 121.582 124.523 -2.941 18521 18295 1 19 . 1 1 144 144 ILE HA H 144 4.083 4.083 3.784 0.299 18521 18296 1 19 . 1 1 144 144 ILE C C 144 177.130 177.130 177.957 -0.827 18521 18297 1 19 . 1 1 144 144 ILE CA C 144 60.697 60.697 66.450 -5.753 18521 18298 1 19 . 1 1 144 144 ILE CB C 144 38.565 38.565 37.353 1.212 18521 18299 1 19 . 1 1 144 144 ILE H H 144 7.948 7.948 8.115 -0.167 18521 18300 1 19 . 1 1 145 145 GLU N N 145 120.974 120.974 121.408 -0.434 18521 18301 1 19 . 1 1 145 145 GLU HA H 145 4.049 4.049 4.206 -0.157 18521 18302 1 19 . 1 1 145 145 GLU C C 145 179.664 179.664 178.711 0.953 18521 18303 1 19 . 1 1 145 145 GLU CA C 145 59.673 59.673 59.260 0.413 18521 18304 1 19 . 1 1 145 145 GLU CB C 145 29.521 29.521 29.585 -0.064 18521 18305 1 19 . 1 1 145 145 GLU H H 145 7.869 7.869 7.841 0.028 18521 18306 1 19 . 1 1 146 146 GLN N N 146 118.520 118.520 120.223 -1.703 18521 18307 1 19 . 1 1 146 146 GLN HA H 146 4.034 4.034 4.083 -0.049 18521 18308 1 19 . 1 1 146 146 GLN C C 146 178.820 178.820 177.602 1.218 18521 18309 1 19 . 1 1 146 146 GLN CA C 146 58.720 58.720 58.770 -0.049 18521 18310 1 19 . 1 1 146 146 GLN CB C 146 29.312 29.312 28.204 1.108 18521 18311 1 19 . 1 1 146 146 GLN H H 146 8.407 8.407 7.403 1.004 18521 18312 1 19 . 1 1 147 147 GLY N N 147 108.998 108.998 109.154 -0.156 18521 18313 1 19 . 1 1 147 147 GLY HA H 147 3.471 3.471 3.822 -0.351 18521 18314 1 19 . 1 1 147 147 GLY C C 147 175.794 175.794 176.829 -1.035 18521 18315 1 19 . 1 1 147 147 GLY CA C 147 47.525 47.525 48.088 -0.563 18521 18316 1 19 . 1 1 147 147 GLY CB C 147 41.801 41.801 41.450 0.351 18521 18317 1 19 . 1 1 147 147 GLY H H 147 8.059 8.059 7.598 0.461 18521 18318 1 19 . 1 1 148 148 ASP N N 148 124.022 124.022 118.656 5.366 18521 18319 1 19 . 1 1 148 148 ASP HA H 148 4.342 4.342 4.134 0.208 18521 18320 1 19 . 1 1 148 148 ASP C C 148 175.607 175.607 178.499 -2.892 18521 18321 1 19 . 1 1 148 148 ASP CA C 148 57.252 57.252 57.428 -0.176 18521 18322 1 19 . 1 1 148 148 ASP CB C 148 39.918 39.918 40.332 -0.414 18521 18323 1 19 . 1 1 148 148 ASP H H 148 8.522 8.522 8.319 0.203 18521 18324 1 19 . 1 1 149 149 GLU N N 149 121.333 121.333 119.974 1.359 18521 18325 1 19 . 1 1 149 149 GLU HA H 149 4.008 4.008 3.951 0.057 18521 18326 1 19 . 1 1 149 149 GLU C C 149 175.652 175.652 178.781 -3.129 18521 18327 1 19 . 1 1 149 149 GLU CA C 149 59.394 59.394 59.628 -0.234 18521 18328 1 19 . 1 1 149 149 GLU CB C 149 32.048 32.048 32.234 -0.186 18521 18329 1 19 . 1 1 149 149 GLU H H 149 7.768 7.768 7.868 -0.100 18521 18330 1 19 . 1 1 150 150 LEU N N 150 120.820 120.820 119.057 1.763 18521 18331 1 19 . 1 1 150 150 LEU HA H 150 3.718 3.718 3.957 -0.239 18521 18332 1 19 . 1 1 150 150 LEU C C 150 179.476 179.476 179.422 0.054 18521 18333 1 19 . 1 1 150 150 LEU CA C 150 57.656 57.656 57.753 -0.097 18521 18334 1 19 . 1 1 150 150 LEU CB C 150 28.936 28.936 29.589 -0.653 18521 18335 1 19 . 1 1 150 150 LEU H H 150 8.113 8.113 7.241 0.872 18521 18336 1 19 . 1 1 151 151 GLN N N 151 118.698 118.698 119.524 -0.826 18521 18337 1 19 . 1 1 151 151 GLN HA H 151 3.990 3.990 3.596 0.394 18521 18338 1 19 . 1 1 151 151 GLN C C 151 178.418 178.418 177.891 0.527 18521 18339 1 19 . 1 1 151 151 GLN CA C 151 58.570 58.570 59.526 -0.957 18521 18340 1 19 . 1 1 151 151 GLN CB C 151 38.409 38.409 37.471 0.938 18521 18341 1 19 . 1 1 151 151 GLN H H 151 8.282 8.282 7.649 0.633 18521 18342 1 19 . 1 1 152 152 GLU N N 152 120.750 120.750 119.896 0.854 18521 18343 1 19 . 1 1 152 152 GLU HA H 152 4.035 4.035 3.961 0.074 18521 18344 1 19 . 1 1 152 152 GLU C C 152 178.916 178.916 178.906 0.010 18521 18345 1 19 . 1 1 152 152 GLU CA C 152 59.223 59.223 59.309 -0.086 18521 18346 1 19 . 1 1 152 152 GLU CB C 152 29.322 29.322 29.183 0.139 18521 18347 1 19 . 1 1 152 152 GLU H H 152 7.499 7.499 8.440 -0.941 18521 18348 1 19 . 1 1 153 153 VAL N N 153 120.317 120.317 120.662 -0.345 18521 18349 1 19 . 1 1 153 153 VAL HA H 153 3.695 3.695 3.811 -0.116 18521 18350 1 19 . 1 1 153 153 VAL C C 153 178.846 178.846 178.155 0.691 18521 18351 1 19 . 1 1 153 153 VAL CA C 153 65.832 65.832 66.678 -0.846 18521 18352 1 19 . 1 1 153 153 VAL CB C 153 31.921 31.921 31.745 0.176 18521 18353 1 19 . 1 1 153 153 VAL H H 153 7.763 7.763 8.360 -0.597 18521 18354 1 19 . 1 1 154 154 LEU N N 154 121.374 121.374 119.549 1.825 18521 18355 1 19 . 1 1 154 154 LEU HA H 154 3.917 3.917 3.910 0.007 18521 18356 1 19 . 1 1 154 154 LEU C C 154 178.836 178.836 178.306 0.530 18521 18357 1 19 . 1 1 154 154 LEU CA C 154 57.439 57.439 59.622 -2.183 18521 18358 1 19 . 1 1 154 154 LEU CB C 154 41.797 41.797 41.744 0.053 18521 18359 1 19 . 1 1 154 154 LEU H H 154 7.731 7.731 7.990 -0.259 18521 18360 1 19 . 1 1 155 155 ALA N N 155 121.695 121.695 123.799 -2.104 18521 18361 1 19 . 1 1 155 155 ALA HA H 155 4.145 4.145 3.805 0.340 18521 18362 1 19 . 1 1 155 155 ALA C C 155 179.502 179.502 179.829 -0.327 18521 18363 1 19 . 1 1 155 155 ALA CA C 155 54.175 54.175 55.316 -1.141 18521 18364 1 19 . 1 1 155 155 ALA CB C 155 18.499 18.499 18.688 -0.189 18521 18365 1 19 . 1 1 155 155 ALA H H 155 7.896 7.896 7.794 0.102 18521 18366 1 19 . 1 1 156 156 MET N N 156 117.652 117.652 118.769 -1.117 18521 18367 1 19 . 1 1 156 156 MET HA H 156 4.228 4.228 3.897 0.331 18521 18368 1 19 . 1 1 156 156 MET C C 156 177.366 177.366 178.169 -0.803 18521 18369 1 19 . 1 1 156 156 MET CA C 156 57.306 57.306 59.212 -1.906 18521 18370 1 19 . 1 1 156 156 MET CB C 156 32.373 32.373 32.578 -0.205 18521 18371 1 19 . 1 1 156 156 MET H H 156 7.778 7.778 8.247 -0.469 18521 18372 1 19 . 1 1 157 157 ASN N N 157 117.853 117.853 117.024 0.829 18521 18373 1 19 . 1 1 157 157 ASN HA H 157 4.588 4.588 4.142 0.446 18521 18374 1 19 . 1 1 157 157 ASN C C 157 175.211 175.211 177.617 -2.406 18521 18375 1 19 . 1 1 157 157 ASN CA C 157 54.068 54.068 57.105 -3.037 18521 18376 1 19 . 1 1 157 157 ASN CB C 157 39.125 39.125 38.249 0.876 18521 18377 1 19 . 1 1 157 157 ASN H H 157 8.009 8.009 8.365 -0.356 18521 18378 1 19 . 1 1 158 158 ASN N N 158 117.684 117.684 116.946 0.738 18521 18379 1 19 . 1 1 158 158 ASN HA H 158 4.612 4.612 4.339 0.273 18521 18380 1 19 . 1 1 158 158 ASN C C 158 174.669 174.669 177.351 -2.682 18521 18381 1 19 . 1 1 158 158 ASN CA C 158 53.554 53.554 56.061 -2.507 18521 18382 1 19 . 1 1 158 158 ASN CB C 158 39.343 39.343 37.859 1.484 18521 18383 1 19 . 1 1 158 158 ASN H H 158 7.951 7.951 8.573 -0.622 18521 18384 1 19 . 1 1 159 159 ASN N N 159 119.399 119.399 116.801 2.598 18521 18385 1 19 . 1 1 159 159 ASN HA H 159 4.583 4.583 4.408 0.175 18521 18386 1 19 . 1 1 159 159 ASN C C 159 175.563 175.563 177.491 -1.928 18521 18387 1 19 . 1 1 159 159 ASN CA C 159 53.901 53.901 56.187 -2.286 18521 18388 1 19 . 1 1 159 159 ASN CB C 159 38.425 38.425 37.814 0.611 18521 18389 1 19 . 1 1 159 159 ASN H H 159 8.319 8.319 7.503 0.816 18521 18390 1 19 . 1 1 160 160 SER N N 160 115.453 115.453 116.714 -1.261 18521 18391 1 19 . 1 1 160 160 SER HA H 160 4.324 4.324 4.047 0.277 18521 18392 1 19 . 1 1 160 160 SER C C 160 174.952 174.952 177.086 -2.134 18521 18393 1 19 . 1 1 160 160 SER CA C 160 58.851 58.851 61.252 -2.401 18521 18394 1 19 . 1 1 160 160 SER CB C 160 63.704 63.704 62.874 0.830 18521 18395 1 19 . 1 1 160 160 SER H H 160 8.297 8.297 7.344 0.953 18521 18396 1 19 . 1 1 161 161 GLY N N 161 110.851 110.851 105.986 4.865 18521 18397 1 19 . 1 1 161 161 GLY HA H 161 4.146 4.146 4.033 0.113 18521 18398 1 19 . 1 1 161 161 GLY C C 161 173.974 173.974 176.841 -2.867 18521 18399 1 19 . 1 1 161 161 GLY CA C 161 45.348 45.348 47.839 -2.491 18521 18400 1 19 . 1 1 161 161 GLY CB C 161 42.245 42.245 41.907 0.338 18521 18401 1 19 . 1 1 161 161 GLY H H 161 8.328 8.328 7.979 0.349 18521 18402 1 19 . 1 1 162 162 GLU N N 162 120.859 120.859 116.689 4.170 18521 18403 1 19 . 1 1 162 162 GLU HA H 162 4.211 4.211 4.208 0.003 18521 18404 1 19 . 1 1 162 162 GLU C C 162 177.522 177.522 177.647 -0.125 18521 18405 1 19 . 1 1 162 162 GLU CA C 162 56.065 56.065 58.738 -2.673 18521 18406 1 19 . 1 1 162 162 GLU CB C 162 29.852 29.852 29.029 0.823 18521 18407 1 19 . 1 1 162 162 GLU H H 162 8.244 8.244 7.722 0.522 18521 18408 1 19 . 1 1 163 163 LEU N N 163 124.226 124.226 118.140 6.086 18521 18409 1 19 . 1 1 163 163 LEU HA H 163 3.889 3.889 4.275 -0.386 18521 18410 1 19 . 1 1 163 163 LEU C C 163 178.043 178.043 176.995 1.048 18521 18411 1 19 . 1 1 163 163 LEU CA C 163 57.163 57.163 54.740 2.423 18521 18412 1 19 . 1 1 163 163 LEU CB C 163 41.840 41.840 42.224 -0.384 18521 18413 1 19 . 1 1 163 163 LEU H H 163 8.337 8.337 7.730 0.607 18521 18414 1 19 . 1 1 164 164 ASP N N 164 116.994 116.994 119.006 -2.012 18521 18415 1 19 . 1 1 164 164 ASP HA H 164 4.327 4.327 4.273 0.054 18521 18416 1 19 . 1 1 164 164 ASP C C 164 176.423 176.423 176.665 -0.242 18521 18417 1 19 . 1 1 164 164 ASP CA C 164 55.427 55.427 54.616 0.811 18521 18418 1 19 . 1 1 164 164 ASP H H 164 8.188 8.188 7.753 0.435 18521 18419 1 19 . 1 1 165 165 ASP N N 165 118.967 118.967 118.635 0.332 18521 18420 1 19 . 1 1 165 165 ASP HA H 165 4.443 4.443 4.447 -0.004 18521 18421 1 19 . 1 1 165 165 ASP C C 165 175.654 175.654 176.225 -0.571 18521 18422 1 19 . 1 1 165 165 ASP CA C 165 54.707 54.707 54.870 -0.163 18521 18423 1 19 . 1 1 165 165 ASP CB C 165 40.973 40.973 41.210 -0.237 18521 18424 1 19 . 1 1 165 165 ASP H H 165 7.701 7.701 7.727 -0.026 18521 18425 1 19 . 1 1 166 166 ILE N N 166 122.002 122.002 119.548 2.454 18521 18426 1 19 . 1 1 166 166 ILE HA H 166 4.049 4.049 3.926 0.123 18521 18427 1 19 . 1 1 166 166 ILE C C 166 175.180 175.180 175.185 -0.005 18521 18428 1 19 . 1 1 166 166 ILE CA C 166 60.396 60.396 59.726 0.670 18521 18429 1 19 . 1 1 166 166 ILE CB C 166 39.185 39.185 37.233 1.952 18521 18430 1 19 . 1 1 166 166 ILE H H 166 7.388 7.388 7.369 0.019 18521 18431 1 20 . 1 1 2 2 ALA N N 2 122.445 122.445 123.566 -1.121 18521 18432 1 20 . 1 1 2 2 ALA HA H 2 4.045 4.045 4.050 -0.005 18521 18433 1 20 . 1 1 2 2 ALA C C 2 179.992 179.992 179.219 0.773 18521 18434 1 20 . 1 1 2 2 ALA CA C 2 55.140 55.140 54.766 0.374 18521 18435 1 20 . 1 1 2 2 ALA CB C 2 18.482 18.482 18.957 -0.475 18521 18436 1 20 . 1 1 2 2 ALA H H 2 8.545 8.545 8.767 -0.222 18521 18437 1 20 . 1 1 3 3 SER N N 3 115.544 115.544 113.550 1.994 18521 18438 1 20 . 1 1 3 3 SER HA H 3 4.030 4.030 4.058 -0.028 18521 18439 1 20 . 1 1 3 3 SER C C 3 176.584 176.584 175.704 0.880 18521 18440 1 20 . 1 1 3 3 SER CA C 3 60.748 60.748 60.911 -0.163 18521 18441 1 20 . 1 1 3 3 SER CB C 3 62.416 62.416 62.688 -0.272 18521 18442 1 20 . 1 1 3 3 SER H H 3 8.009 8.009 8.424 -0.415 18521 18443 1 20 . 1 1 4 4 ASN N N 4 123.103 123.103 119.470 3.633 18521 18444 1 20 . 1 1 4 4 ASN HA H 4 4.318 4.318 4.439 -0.121 18521 18445 1 20 . 1 1 4 4 ASN C C 4 176.215 176.215 176.771 -0.556 18521 18446 1 20 . 1 1 4 4 ASN CA C 4 55.580 55.580 56.164 -0.584 18521 18447 1 20 . 1 1 4 4 ASN CB C 4 38.154 38.154 38.576 -0.422 18521 18448 1 20 . 1 1 4 4 ASN H H 4 7.965 7.965 7.763 0.202 18521 18449 1 20 . 1 1 5 5 ALA N N 5 122.314 122.314 122.104 0.210 18521 18450 1 20 . 1 1 5 5 ALA HA H 5 3.560 3.560 3.802 -0.242 18521 18451 1 20 . 1 1 5 5 ALA C C 5 178.543 178.543 178.761 -0.218 18521 18452 1 20 . 1 1 5 5 ALA CA C 5 55.774 55.774 55.245 0.529 18521 18453 1 20 . 1 1 5 5 ALA CB C 5 17.638 17.638 18.134 -0.496 18521 18454 1 20 . 1 1 5 5 ALA H H 5 8.721 8.721 7.551 1.170 18521 18455 1 20 . 1 1 6 6 ALA N N 6 117.886 117.886 121.631 -3.745 18521 18456 1 20 . 1 1 6 6 ALA HA H 6 3.784 3.784 4.032 -0.248 18521 18457 1 20 . 1 1 6 6 ALA C C 6 180.378 180.378 179.609 0.769 18521 18458 1 20 . 1 1 6 6 ALA CA C 6 55.240 55.240 54.986 0.254 18521 18459 1 20 . 1 1 6 6 ALA CB C 6 17.890 17.890 17.995 -0.105 18521 18460 1 20 . 1 1 6 6 ALA H H 6 7.891 7.891 7.383 0.508 18521 18461 1 20 . 1 1 7 7 ARG N N 7 120.992 120.992 119.416 1.576 18521 18462 1 20 . 1 1 7 7 ARG HA H 7 3.770 3.770 4.041 -0.271 18521 18463 1 20 . 1 1 7 7 ARG C C 7 179.531 179.531 178.620 0.911 18521 18464 1 20 . 1 1 7 7 ARG CA C 7 59.249 59.249 59.494 -0.245 18521 18465 1 20 . 1 1 7 7 ARG CB C 7 29.546 29.546 30.419 -0.873 18521 18466 1 20 . 1 1 7 7 ARG H H 7 7.503 7.503 7.839 -0.336 18521 18467 1 20 . 1 1 8 8 VAL N N 8 123.707 123.707 119.428 4.279 18521 18468 1 20 . 1 1 8 8 VAL HA H 8 3.285 3.285 3.844 -0.559 18521 18469 1 20 . 1 1 8 8 VAL C C 8 177.740 177.740 178.346 -0.606 18521 18470 1 20 . 1 1 8 8 VAL CA C 8 67.839 67.839 65.967 1.872 18521 18471 1 20 . 1 1 8 8 VAL CB C 8 31.516 31.516 30.942 0.575 18521 18472 1 20 . 1 1 8 8 VAL H H 8 8.176 8.176 8.231 -0.055 18521 18473 1 20 . 1 1 9 9 VAL N N 9 119.893 119.893 120.725 -0.832 18521 18474 1 20 . 1 1 9 9 VAL HA H 9 3.286 3.286 3.600 -0.314 18521 18475 1 20 . 1 1 9 9 VAL C C 9 177.535 177.535 177.952 -0.417 18521 18476 1 20 . 1 1 9 9 VAL CA C 9 67.549 67.549 66.427 1.122 18521 18477 1 20 . 1 1 9 9 VAL CB C 9 31.683 31.683 30.826 0.858 18521 18478 1 20 . 1 1 9 9 VAL H H 9 8.329 8.329 7.995 0.334 18521 18479 1 20 . 1 1 10 10 ALA N N 10 122.541 122.541 121.546 0.995 18521 18480 1 20 . 1 1 10 10 ALA HA H 10 3.971 3.971 4.082 -0.111 18521 18481 1 20 . 1 1 10 10 ALA C C 10 177.093 177.093 179.734 -2.641 18521 18482 1 20 . 1 1 10 10 ALA CA C 10 55.448 55.448 55.474 -0.026 18521 18483 1 20 . 1 1 10 10 ALA CB C 10 17.791 17.791 18.321 -0.530 18521 18484 1 20 . 1 1 10 10 ALA H H 10 7.802 7.802 8.582 -0.780 18521 18485 1 20 . 1 1 11 11 THR N N 11 116.946 116.946 116.176 0.770 18521 18486 1 20 . 1 1 11 11 THR HA H 11 3.821 3.821 3.930 -0.109 18521 18487 1 20 . 1 1 11 11 THR C C 11 175.702 175.702 176.551 -0.849 18521 18488 1 20 . 1 1 11 11 THR CA C 11 66.531 66.531 67.654 -1.123 18521 18489 1 20 . 1 1 11 11 THR CB C 11 68.493 68.493 68.852 -0.359 18521 18490 1 20 . 1 1 11 11 THR H H 11 8.187 8.187 8.547 -0.360 18521 18491 1 20 . 1 1 12 12 ALA N N 12 125.357 125.357 123.774 1.583 18521 18492 1 20 . 1 1 12 12 ALA HA H 12 4.003 4.003 4.088 -0.085 18521 18493 1 20 . 1 1 12 12 ALA C C 12 179.401 179.401 179.307 0.094 18521 18494 1 20 . 1 1 12 12 ALA CA C 12 56.083 56.083 55.264 0.819 18521 18495 1 20 . 1 1 12 12 ALA CB C 12 18.855 18.855 18.278 0.577 18521 18496 1 20 . 1 1 12 12 ALA H H 12 8.641 8.641 8.134 0.507 18521 18497 1 20 . 1 1 13 13 LYS N N 13 117.246 117.246 117.090 0.156 18521 18498 1 20 . 1 1 13 13 LYS HA H 13 3.964 3.964 4.248 -0.284 18521 18499 1 20 . 1 1 13 13 LYS C C 13 180.132 180.132 178.355 1.777 18521 18500 1 20 . 1 1 13 13 LYS CA C 13 58.991 58.991 59.199 -0.208 18521 18501 1 20 . 1 1 13 13 LYS CB C 13 32.014 32.014 32.063 -0.049 18521 18502 1 20 . 1 1 13 13 LYS H H 13 7.961 7.961 7.661 0.300 18521 18503 1 20 . 1 1 14 14 ASP N N 14 122.162 122.162 119.754 2.408 18521 18504 1 20 . 1 1 14 14 ASP HA H 14 4.355 4.355 4.400 -0.045 18521 18505 1 20 . 1 1 14 14 ASP C C 14 179.394 179.394 178.301 1.093 18521 18506 1 20 . 1 1 14 14 ASP CA C 14 57.524 57.524 56.890 0.634 18521 18507 1 20 . 1 1 14 14 ASP CB C 14 39.984 39.984 40.393 -0.409 18521 18508 1 20 . 1 1 14 14 ASP H H 14 7.702 7.702 7.710 -0.008 18521 18509 1 20 . 1 1 15 15 PHE N N 15 119.552 119.552 117.970 1.582 18521 18510 1 20 . 1 1 15 15 PHE HA H 15 4.307 4.307 4.206 0.101 18521 18511 1 20 . 1 1 15 15 PHE C C 15 178.383 178.383 177.822 0.561 18521 18512 1 20 . 1 1 15 15 PHE CA C 15 62.313 62.313 61.508 0.805 18521 18513 1 20 . 1 1 15 15 PHE CB C 15 37.340 37.340 38.829 -1.489 18521 18514 1 20 . 1 1 15 15 PHE H H 15 7.970 7.970 7.542 0.428 18521 18515 1 20 . 1 1 16 16 ASP N N 16 121.464 121.464 119.610 1.854 18521 18516 1 20 . 1 1 16 16 ASP HA H 16 4.016 4.016 4.451 -0.435 18521 18517 1 20 . 1 1 16 16 ASP C C 16 179.923 179.923 179.222 0.701 18521 18518 1 20 . 1 1 16 16 ASP CA C 16 58.030 58.030 57.353 0.677 18521 18519 1 20 . 1 1 16 16 ASP CB C 16 41.407 41.407 40.154 1.253 18521 18520 1 20 . 1 1 16 16 ASP H H 16 8.259 8.259 7.824 0.435 18521 18521 1 20 . 1 1 17 17 LYS N N 17 118.806 118.806 120.555 -1.749 18521 18522 1 20 . 1 1 17 17 LYS HA H 17 4.047 4.047 4.111 -0.064 18521 18523 1 20 . 1 1 17 17 LYS C C 17 178.432 178.432 177.823 0.609 18521 18524 1 20 . 1 1 17 17 LYS CA C 17 59.018 59.018 59.122 -0.104 18521 18525 1 20 . 1 1 17 17 LYS CB C 17 32.592 32.592 32.651 -0.059 18521 18526 1 20 . 1 1 17 17 LYS H H 17 7.842 7.842 7.606 0.236 18521 18527 1 20 . 1 1 18 18 VAL N N 18 110.416 110.416 117.283 -6.867 18521 18528 1 20 . 1 1 18 18 VAL HA H 18 4.523 4.523 4.086 0.437 18521 18529 1 20 . 1 1 18 18 VAL C C 18 176.089 176.089 175.651 0.438 18521 18530 1 20 . 1 1 18 18 VAL CA C 18 60.797 60.797 62.704 -1.907 18521 18531 1 20 . 1 1 18 18 VAL CB C 18 31.194 31.194 32.283 -1.089 18521 18532 1 20 . 1 1 18 18 VAL H H 18 7.198 7.198 7.353 -0.155 18521 18533 1 20 . 1 1 19 19 GLY N N 19 109.008 109.008 107.694 1.314 18521 18534 1 20 . 1 1 19 19 GLY C C 19 175.070 175.070 174.772 0.298 18521 18535 1 20 . 1 1 19 19 GLY CA C 19 45.842 45.842 45.417 0.424 18521 18536 1 20 . 1 1 19 19 GLY H H 19 7.731 7.731 7.710 0.021 18521 18537 1 20 . 1 1 20 20 LEU N N 20 125.244 125.244 123.083 2.161 18521 18538 1 20 . 1 1 20 20 LEU HA H 20 4.938 4.938 4.610 0.328 18521 18539 1 20 . 1 1 20 20 LEU C C 20 177.890 177.890 176.944 0.946 18521 18540 1 20 . 1 1 20 20 LEU CA C 20 52.674 52.674 53.156 -0.481 18521 18541 1 20 . 1 1 20 20 LEU CB C 20 40.239 40.239 39.989 0.250 18521 18542 1 20 . 1 1 20 20 LEU H H 20 8.102 8.102 8.388 -0.286 18521 18543 1 20 . 1 1 21 21 GLY N N 21 108.031 108.031 109.686 -1.655 18521 18544 1 20 . 1 1 21 21 GLY C C 21 176.174 176.174 175.906 0.268 18521 18545 1 20 . 1 1 21 21 GLY CA C 21 47.352 47.352 47.489 -0.137 18521 18546 1 20 . 1 1 21 21 GLY H H 21 8.046 8.046 7.985 0.061 18521 18547 1 20 . 1 1 22 22 ILE N N 22 121.173 121.173 121.990 -0.817 18521 18548 1 20 . 1 1 22 22 ILE HA H 22 3.944 3.944 3.777 0.167 18521 18549 1 20 . 1 1 22 22 ILE C C 22 176.119 176.119 177.657 -1.538 18521 18550 1 20 . 1 1 22 22 ILE CA C 22 61.179 61.179 64.751 -3.572 18521 18551 1 20 . 1 1 22 22 ILE CB C 22 35.934 35.934 37.935 -2.001 18521 18552 1 20 . 1 1 22 22 ILE H H 22 8.395 8.395 8.086 0.309 18521 18553 1 20 . 1 1 23 23 ILE N N 23 120.647 120.647 120.309 0.338 18521 18554 1 20 . 1 1 23 23 ILE HA H 23 3.713 3.713 3.827 -0.114 18521 18555 1 20 . 1 1 23 23 ILE C C 23 178.458 178.458 178.549 -0.091 18521 18556 1 20 . 1 1 23 23 ILE CA C 23 64.266 64.266 62.308 1.958 18521 18557 1 20 . 1 1 23 23 ILE CB C 23 36.272 36.272 36.163 0.109 18521 18558 1 20 . 1 1 23 23 ILE H H 23 6.824 6.824 7.435 -0.611 18521 18559 1 20 . 1 1 24 24 GLY N N 24 103.326 103.326 107.810 -4.484 18521 18560 1 20 . 1 1 24 24 GLY C C 24 174.914 174.914 175.646 -0.732 18521 18561 1 20 . 1 1 24 24 GLY CA C 24 47.998 47.998 47.085 0.913 18521 18562 1 20 . 1 1 24 24 GLY H H 24 7.412 7.412 7.869 -0.457 18521 18563 1 20 . 1 1 25 25 TYR N N 25 124.188 124.188 124.072 0.116 18521 18564 1 20 . 1 1 25 25 TYR HA H 25 3.734 3.734 3.720 0.014 18521 18565 1 20 . 1 1 25 25 TYR C C 25 176.055 176.055 177.176 -1.121 18521 18566 1 20 . 1 1 25 25 TYR CA C 25 60.962 60.962 60.621 0.341 18521 18567 1 20 . 1 1 25 25 TYR CB C 25 37.888 37.888 37.608 0.280 18521 18568 1 20 . 1 1 25 25 TYR H H 25 7.861 7.861 8.170 -0.309 18521 18569 1 20 . 1 1 26 26 TYR N N 26 117.390 117.390 117.221 0.169 18521 18570 1 20 . 1 1 26 26 TYR HA H 26 3.881 3.881 3.882 -0.001 18521 18571 1 20 . 1 1 26 26 TYR C C 26 178.653 178.653 177.948 0.705 18521 18572 1 20 . 1 1 26 26 TYR CA C 26 64.270 64.270 62.361 1.909 18521 18573 1 20 . 1 1 26 26 TYR CB C 26 37.453 37.453 38.168 -0.715 18521 18574 1 20 . 1 1 26 26 TYR H H 26 7.594 7.594 7.555 0.039 18521 18575 1 20 . 1 1 27 27 LEU N N 27 118.536 118.536 119.481 -0.945 18521 18576 1 20 . 1 1 27 27 LEU HA H 27 4.277 4.277 3.784 0.493 18521 18577 1 20 . 1 1 27 27 LEU C C 27 179.025 179.025 178.920 0.105 18521 18578 1 20 . 1 1 27 27 LEU CA C 27 58.382 58.382 58.217 0.165 18521 18579 1 20 . 1 1 27 27 LEU CB C 27 42.595 42.595 41.064 1.531 18521 18580 1 20 . 1 1 27 27 LEU H H 27 8.226 8.226 7.840 0.386 18521 18581 1 20 . 1 1 28 28 GLN N N 28 119.110 119.110 117.753 1.357 18521 18582 1 20 . 1 1 28 28 GLN HA H 28 3.665 3.665 3.829 -0.164 18521 18583 1 20 . 1 1 28 28 GLN C C 28 177.406 177.406 178.377 -0.971 18521 18584 1 20 . 1 1 28 28 GLN CA C 28 60.626 60.626 58.909 1.717 18521 18585 1 20 . 1 1 28 28 GLN CB C 28 28.959 28.959 28.539 0.420 18521 18586 1 20 . 1 1 28 28 GLN H H 28 8.007 8.007 8.110 -0.103 18521 18587 1 20 . 1 1 29 29 LEU N N 29 121.623 121.623 120.902 0.721 18521 18588 1 20 . 1 1 29 29 LEU HA H 29 3.718 3.718 3.856 -0.138 18521 18589 1 20 . 1 1 29 29 LEU C C 29 179.706 179.706 178.044 1.662 18521 18590 1 20 . 1 1 29 29 LEU CA C 29 58.382 58.382 57.488 0.894 18521 18591 1 20 . 1 1 29 29 LEU CB C 29 42.114 42.114 41.385 0.729 18521 18592 1 20 . 1 1 29 29 LEU H H 29 7.938 7.938 7.238 0.700 18521 18593 1 20 . 1 1 30 30 TYR N N 30 120.084 120.084 120.694 -0.610 18521 18594 1 20 . 1 1 30 30 TYR HA H 30 4.132 4.132 3.957 0.175 18521 18595 1 20 . 1 1 30 30 TYR C C 30 175.611 175.611 177.125 -1.514 18521 18596 1 20 . 1 1 30 30 TYR CA C 30 58.951 58.951 59.911 -0.960 18521 18597 1 20 . 1 1 30 30 TYR CB C 30 39.302 39.302 37.723 1.579 18521 18598 1 20 . 1 1 30 30 TYR H H 30 7.974 7.974 8.063 -0.089 18521 18599 1 20 . 1 1 31 31 ALA N N 31 121.802 121.802 121.127 0.675 18521 18600 1 20 . 1 1 31 31 ALA HA H 31 3.343 3.343 3.450 -0.107 18521 18601 1 20 . 1 1 31 31 ALA C C 31 178.911 178.911 179.001 -0.090 18521 18602 1 20 . 1 1 31 31 ALA CA C 31 55.429 55.429 54.805 0.624 18521 18603 1 20 . 1 1 31 31 ALA CB C 31 17.895 17.895 18.101 -0.206 18521 18604 1 20 . 1 1 31 31 ALA H H 31 8.504 8.504 7.842 0.662 18521 18605 1 20 . 1 1 32 32 VAL N N 32 116.528 116.528 119.035 -2.507 18521 18606 1 20 . 1 1 32 32 VAL HA H 32 3.249 3.249 3.411 -0.162 18521 18607 1 20 . 1 1 32 32 VAL C C 32 176.963 176.963 177.982 -1.019 18521 18608 1 20 . 1 1 32 32 VAL CA C 32 67.723 67.723 67.420 0.303 18521 18609 1 20 . 1 1 32 32 VAL CB C 32 31.403 31.403 31.472 -0.069 18521 18610 1 20 . 1 1 32 32 VAL H H 32 8.027 8.027 7.662 0.365 18521 18611 1 20 . 1 1 33 33 GLU N N 33 118.609 118.609 119.362 -0.753 18521 18612 1 20 . 1 1 33 33 GLU HA H 33 3.804 3.804 3.984 -0.180 18521 18613 1 20 . 1 1 33 33 GLU C C 33 180.234 180.234 179.233 1.001 18521 18614 1 20 . 1 1 33 33 GLU CA C 33 59.446 59.446 59.272 0.174 18521 18615 1 20 . 1 1 33 33 GLU CB C 33 28.711 28.711 29.623 -0.912 18521 18616 1 20 . 1 1 33 33 GLU H H 33 7.299 7.299 7.560 -0.261 18521 18617 1 20 . 1 1 34 34 LEU N N 34 120.831 120.831 121.959 -1.128 18521 18618 1 20 . 1 1 34 34 LEU HA H 34 3.702 3.702 3.833 -0.131 18521 18619 1 20 . 1 1 34 34 LEU C C 34 180.024 180.024 178.724 1.300 18521 18620 1 20 . 1 1 34 34 LEU CA C 34 57.815 57.815 57.983 -0.169 18521 18621 1 20 . 1 1 34 34 LEU CB C 34 42.097 42.097 41.647 0.450 18521 18622 1 20 . 1 1 34 34 LEU H H 34 8.168 8.168 7.558 0.610 18521 18623 1 20 . 1 1 35 35 ILE N N 35 120.733 120.733 118.803 1.930 18521 18624 1 20 . 1 1 35 35 ILE HA H 35 3.589 3.589 3.601 -0.012 18521 18625 1 20 . 1 1 35 35 ILE C C 35 178.501 178.501 178.889 -0.388 18521 18626 1 20 . 1 1 35 35 ILE CA C 35 65.363 65.363 65.237 0.126 18521 18627 1 20 . 1 1 35 35 ILE CB C 35 38.960 38.960 38.029 0.931 18521 18628 1 20 . 1 1 35 35 ILE H H 35 8.064 8.064 7.830 0.234 18521 18629 1 20 . 1 1 36 36 LEU N N 36 115.519 115.519 119.079 -3.560 18521 18630 1 20 . 1 1 36 36 LEU HA H 36 3.958 3.958 4.015 -0.057 18521 18631 1 20 . 1 1 36 36 LEU C C 36 178.244 178.244 178.206 0.038 18521 18632 1 20 . 1 1 36 36 LEU CA C 36 56.069 56.069 57.323 -1.254 18521 18633 1 20 . 1 1 36 36 LEU CB C 36 40.528 40.528 41.785 -1.256 18521 18634 1 20 . 1 1 36 36 LEU H H 36 8.370 8.370 7.661 0.709 18521 18635 1 20 . 1 1 37 37 SER N N 37 113.976 113.976 110.650 3.326 18521 18636 1 20 . 1 1 37 37 SER HA H 37 4.197 4.197 4.258 -0.061 18521 18637 1 20 . 1 1 37 37 SER C C 37 173.934 173.934 174.727 -0.793 18521 18638 1 20 . 1 1 37 37 SER CA C 37 60.204 60.204 59.627 0.577 18521 18639 1 20 . 1 1 37 37 SER CB C 37 63.507 63.507 63.562 -0.055 18521 18640 1 20 . 1 1 37 37 SER H H 37 7.523 7.523 8.046 -0.523 18521 18641 1 20 . 1 1 38 38 GLU N N 38 123.219 123.219 121.544 1.675 18521 18642 1 20 . 1 1 38 38 GLU HA H 38 4.426 4.426 4.334 0.092 18521 18643 1 20 . 1 1 38 38 GLU C C 38 175.767 175.767 176.322 -0.555 18521 18644 1 20 . 1 1 38 38 GLU CA C 38 55.046 55.046 55.771 -0.725 18521 18645 1 20 . 1 1 38 38 GLU CB C 38 30.395 30.395 30.380 0.016 18521 18646 1 20 . 1 1 38 38 GLU H H 38 7.185 7.185 7.501 -0.316 18521 18647 1 20 . 1 1 39 39 GLU N N 39 126.955 126.955 123.790 3.165 18521 18648 1 20 . 1 1 39 39 GLU HA H 39 3.985 3.985 4.074 -0.089 18521 18649 1 20 . 1 1 39 39 GLU C C 39 176.861 176.861 175.971 0.890 18521 18650 1 20 . 1 1 39 39 GLU CA C 39 58.331 58.331 58.275 0.056 18521 18651 1 20 . 1 1 39 39 GLU CB C 39 30.008 30.008 29.926 0.082 18521 18652 1 20 . 1 1 39 39 GLU H H 39 8.632 8.632 8.585 0.047 18521 18653 1 20 . 1 1 40 40 ASP N N 40 119.763 119.763 119.855 -0.092 18521 18654 1 20 . 1 1 40 40 ASP HA H 40 4.616 4.616 4.712 -0.096 18521 18655 1 20 . 1 1 40 40 ASP C C 40 174.989 174.989 175.355 -0.366 18521 18656 1 20 . 1 1 40 40 ASP CA C 40 53.281 53.281 53.964 -0.683 18521 18657 1 20 . 1 1 40 40 ASP CB C 40 39.814 39.814 40.675 -0.861 18521 18658 1 20 . 1 1 40 40 ASP H H 40 8.560 8.560 8.139 0.421 18521 18659 1 20 . 1 1 41 41 ARG N N 41 119.595 119.595 122.250 -2.655 18521 18660 1 20 . 1 1 41 41 ARG HA H 41 4.390 4.390 4.597 -0.207 18521 18661 1 20 . 1 1 41 41 ARG C C 41 175.553 175.553 174.883 0.670 18521 18662 1 20 . 1 1 41 41 ARG CA C 41 54.707 54.707 55.184 -0.477 18521 18663 1 20 . 1 1 41 41 ARG CB C 41 31.865 31.865 33.961 -2.096 18521 18664 1 20 . 1 1 41 41 ARG H H 41 7.443 7.443 8.585 -1.142 18521 18665 1 20 . 1 1 42 42 SER N N 42 119.463 119.463 117.516 1.947 18521 18666 1 20 . 1 1 42 42 SER HA H 42 4.381 4.381 4.843 -0.462 18521 18667 1 20 . 1 1 42 42 SER C C 42 175.361 175.361 175.281 0.080 18521 18668 1 20 . 1 1 42 42 SER CA C 42 57.137 57.137 56.287 0.850 18521 18669 1 20 . 1 1 42 42 SER CB C 42 65.166 65.166 66.200 -1.034 18521 18670 1 20 . 1 1 42 42 SER H H 42 8.556 8.556 8.291 0.265 18521 18671 1 20 . 1 1 43 43 GLN N N 43 122.535 122.535 121.421 1.114 18521 18672 1 20 . 1 1 43 43 GLN HA H 43 4.018 4.018 3.943 0.075 18521 18673 1 20 . 1 1 43 43 GLN C C 43 178.768 178.768 178.266 0.502 18521 18674 1 20 . 1 1 43 43 GLN CA C 43 59.073 59.073 59.611 -0.538 18521 18675 1 20 . 1 1 43 43 GLN CB C 43 27.871 27.871 28.416 -0.544 18521 18676 1 20 . 1 1 43 43 GLN H H 43 9.087 9.087 9.021 0.066 18521 18677 1 20 . 1 1 44 44 GLU N N 44 120.308 120.308 118.981 1.327 18521 18678 1 20 . 1 1 44 44 GLU HA H 44 3.982 3.982 4.143 -0.161 18521 18679 1 20 . 1 1 44 44 GLU C C 44 179.737 179.737 178.846 0.891 18521 18680 1 20 . 1 1 44 44 GLU CA C 44 60.142 60.142 59.046 1.096 18521 18681 1 20 . 1 1 44 44 GLU CB C 44 28.801 28.801 29.052 -0.251 18521 18682 1 20 . 1 1 44 44 GLU H H 44 8.958 8.958 8.677 0.281 18521 18683 1 20 . 1 1 45 45 MET N N 45 120.968 120.968 119.195 1.773 18521 18684 1 20 . 1 1 45 45 MET HA H 45 4.432 4.432 4.334 0.098 18521 18685 1 20 . 1 1 45 45 MET C C 45 178.153 178.153 178.645 -0.492 18521 18686 1 20 . 1 1 45 45 MET CA C 45 57.117 57.117 56.837 0.280 18521 18687 1 20 . 1 1 45 45 MET CB C 45 32.517 32.517 31.869 0.648 18521 18688 1 20 . 1 1 45 45 MET H H 45 7.740 7.740 7.968 -0.228 18521 18689 1 20 . 1 1 46 46 THR N N 46 120.159 120.159 116.586 3.573 18521 18690 1 20 . 1 1 46 46 THR HA H 46 3.620 3.620 3.896 -0.276 18521 18691 1 20 . 1 1 46 46 THR C C 46 176.389 176.389 176.420 -0.031 18521 18692 1 20 . 1 1 46 46 THR CA C 46 67.416 67.416 67.105 0.311 18521 18693 1 20 . 1 1 46 46 THR CB C 46 68.208 68.208 68.747 -0.539 18521 18694 1 20 . 1 1 46 46 THR H H 46 8.190 8.190 8.627 -0.437 18521 18695 1 20 . 1 1 47 47 ALA N N 47 124.729 124.729 123.781 0.948 18521 18696 1 20 . 1 1 47 47 ALA HA H 47 4.060 4.060 4.147 -0.087 18521 18697 1 20 . 1 1 47 47 ALA C C 47 179.554 179.554 179.115 0.439 18521 18698 1 20 . 1 1 47 47 ALA CA C 47 55.195 55.195 54.802 0.393 18521 18699 1 20 . 1 1 47 47 ALA CB C 47 17.654 17.654 18.385 -0.731 18521 18700 1 20 . 1 1 47 47 ALA H H 47 8.292 8.292 7.901 0.391 18521 18701 1 20 . 1 1 48 48 LEU N N 48 122.244 122.244 120.931 1.313 18521 18702 1 20 . 1 1 48 48 LEU HA H 48 4.195 4.195 4.063 0.132 18521 18703 1 20 . 1 1 48 48 LEU C C 48 178.022 178.022 178.485 -0.463 18521 18704 1 20 . 1 1 48 48 LEU CA C 48 57.695 57.695 57.442 0.253 18521 18705 1 20 . 1 1 48 48 LEU CB C 48 41.236 41.236 41.682 -0.446 18521 18706 1 20 . 1 1 48 48 LEU H H 48 7.723 7.723 7.859 -0.136 18521 18707 1 20 . 1 1 49 49 ALA N N 49 120.883 120.883 120.532 0.351 18521 18708 1 20 . 1 1 49 49 ALA HA H 49 3.854 3.854 3.890 -0.036 18521 18709 1 20 . 1 1 49 49 ALA C C 49 178.770 178.770 179.392 -0.622 18521 18710 1 20 . 1 1 49 49 ALA CA C 49 55.836 55.836 55.167 0.669 18521 18711 1 20 . 1 1 49 49 ALA CB C 49 17.137 17.137 18.271 -1.134 18521 18712 1 20 . 1 1 49 49 ALA H H 49 8.210 8.210 8.090 0.120 18521 18713 1 20 . 1 1 50 50 THR N N 50 113.676 113.676 115.153 -1.477 18521 18714 1 20 . 1 1 50 50 THR HA H 50 3.765 3.765 3.850 -0.085 18521 18715 1 20 . 1 1 50 50 THR C C 50 175.836 175.836 176.287 -0.451 18521 18716 1 20 . 1 1 50 50 THR CA C 50 66.975 66.975 67.740 -0.765 18521 18717 1 20 . 1 1 50 50 THR CB C 50 68.976 68.976 68.655 0.321 18521 18718 1 20 . 1 1 50 50 THR H H 50 7.891 7.891 7.562 0.329 18521 18719 1 20 . 1 1 51 51 GLU N N 51 123.445 123.445 122.289 1.156 18521 18720 1 20 . 1 1 51 51 GLU HA H 51 4.221 4.221 4.033 0.188 18521 18721 1 20 . 1 1 51 51 GLU C C 51 179.906 179.906 178.800 1.106 18521 18722 1 20 . 1 1 51 51 GLU CA C 51 59.436 59.436 59.217 0.219 18521 18723 1 20 . 1 1 51 51 GLU CB C 51 29.498 29.498 29.653 -0.155 18521 18724 1 20 . 1 1 51 51 GLU H H 51 7.877 7.877 7.681 0.196 18521 18725 1 20 . 1 1 52 52 LEU N N 52 121.629 121.629 119.272 2.357 18521 18726 1 20 . 1 1 52 52 LEU HA H 52 3.907 3.907 4.027 -0.120 18521 18727 1 20 . 1 1 52 52 LEU C C 52 178.993 178.993 179.154 -0.161 18521 18728 1 20 . 1 1 52 52 LEU CA C 52 57.840 57.840 57.558 0.282 18521 18729 1 20 . 1 1 52 52 LEU CB C 52 42.076 42.076 41.797 0.279 18521 18730 1 20 . 1 1 52 52 LEU H H 52 8.670 8.670 7.490 1.180 18521 18731 1 20 . 1 1 53 53 LEU N N 53 119.996 119.996 119.908 0.088 18521 18732 1 20 . 1 1 53 53 LEU HA H 53 3.949 3.949 3.795 0.154 18521 18733 1 20 . 1 1 53 53 LEU C C 53 179.950 179.950 178.961 0.989 18521 18734 1 20 . 1 1 53 53 LEU CA C 53 58.480 58.480 58.038 0.442 18521 18735 1 20 . 1 1 53 53 LEU CB C 53 41.341 41.341 41.031 0.311 18521 18736 1 20 . 1 1 53 53 LEU H H 53 8.336 8.336 7.574 0.762 18521 18737 1 20 . 1 1 54 54 ASP N N 54 120.632 120.632 119.245 1.387 18521 18738 1 20 . 1 1 54 54 ASP HA H 54 4.409 4.409 4.436 -0.027 18521 18739 1 20 . 1 1 54 54 ASP C C 54 179.383 179.383 179.025 0.358 18521 18740 1 20 . 1 1 54 54 ASP CA C 54 57.510 57.510 57.498 0.012 18521 18741 1 20 . 1 1 54 54 ASP CB C 54 40.275 40.275 40.111 0.164 18521 18742 1 20 . 1 1 54 54 ASP H H 54 7.884 7.884 7.724 0.160 18521 18743 1 20 . 1 1 55 55 THR N N 55 121.006 121.006 117.938 3.068 18521 18744 1 20 . 1 1 55 55 THR HA H 55 3.923 3.923 4.031 -0.108 18521 18745 1 20 . 1 1 55 55 THR C C 55 177.066 177.066 176.828 0.238 18521 18746 1 20 . 1 1 55 55 THR CA C 55 67.018 67.018 66.778 0.239 18521 18747 1 20 . 1 1 55 55 THR CB C 55 68.725 68.725 68.868 -0.143 18521 18748 1 20 . 1 1 55 55 THR H H 55 8.279 8.279 7.434 0.845 18521 18749 1 20 . 1 1 56 56 ILE N N 56 125.465 125.465 122.878 2.587 18521 18750 1 20 . 1 1 56 56 ILE HA H 56 3.748 3.748 3.807 -0.059 18521 18751 1 20 . 1 1 56 56 ILE C C 56 177.879 177.879 177.965 -0.086 18521 18752 1 20 . 1 1 56 56 ILE CA C 56 65.765 65.765 66.042 -0.277 18521 18753 1 20 . 1 1 56 56 ILE CB C 56 38.646 38.646 37.716 0.930 18521 18754 1 20 . 1 1 56 56 ILE H H 56 8.872 8.872 8.337 0.535 18521 18755 1 20 . 1 1 57 57 GLU N N 57 119.951 119.951 119.386 0.565 18521 18756 1 20 . 1 1 57 57 GLU HA H 57 4.034 4.034 3.990 0.044 18521 18757 1 20 . 1 1 57 57 GLU C C 57 179.357 179.357 179.209 0.148 18521 18758 1 20 . 1 1 57 57 GLU CA C 57 59.241 59.241 59.739 -0.498 18521 18759 1 20 . 1 1 57 57 GLU CB C 57 29.226 29.226 29.437 -0.211 18521 18760 1 20 . 1 1 57 57 GLU H H 57 8.024 8.024 7.989 0.035 18521 18761 1 20 . 1 1 58 58 ALA N N 58 122.402 122.402 122.887 -0.485 18521 18762 1 20 . 1 1 58 58 ALA HA H 58 4.044 4.044 4.151 -0.107 18521 18763 1 20 . 1 1 58 58 ALA C C 58 180.049 180.049 179.623 0.426 18521 18764 1 20 . 1 1 58 58 ALA CA C 58 55.167 55.167 55.039 0.128 18521 18765 1 20 . 1 1 58 58 ALA CB C 58 17.836 17.836 18.397 -0.561 18521 18766 1 20 . 1 1 58 58 ALA H H 58 8.026 8.026 8.274 -0.248 18521 18767 1 20 . 1 1 59 59 PHE N N 59 122.034 122.034 120.445 1.589 18521 18768 1 20 . 1 1 59 59 PHE HA H 59 4.165 4.165 4.203 -0.038 18521 18769 1 20 . 1 1 59 59 PHE C C 59 177.169 177.169 177.252 -0.083 18521 18770 1 20 . 1 1 59 59 PHE CA C 59 61.373 61.373 61.307 0.066 18521 18771 1 20 . 1 1 59 59 PHE CB C 59 39.384 39.384 39.680 -0.296 18521 18772 1 20 . 1 1 59 59 PHE H H 59 8.243 8.243 8.887 -0.644 18521 18773 1 20 . 1 1 60 60 LYS N N 60 117.415 117.415 119.499 -2.084 18521 18774 1 20 . 1 1 60 60 LYS HA H 60 3.490 3.490 3.622 -0.132 18521 18775 1 20 . 1 1 60 60 LYS C C 60 179.705 179.705 178.409 1.296 18521 18776 1 20 . 1 1 60 60 LYS CA C 60 60.051 60.051 59.422 0.629 18521 18777 1 20 . 1 1 60 60 LYS CB C 60 32.376 32.376 32.414 -0.038 18521 18778 1 20 . 1 1 60 60 LYS H H 60 7.978 7.978 8.661 -0.683 18521 18779 1 20 . 1 1 61 61 LYS N N 61 119.540 119.540 118.803 0.737 18521 18780 1 20 . 1 1 61 61 LYS HA H 61 3.942 3.942 3.943 -0.001 18521 18781 1 20 . 1 1 61 61 LYS C C 61 178.728 178.728 178.595 0.133 18521 18782 1 20 . 1 1 61 61 LYS CA C 61 58.878 58.878 59.582 -0.704 18521 18783 1 20 . 1 1 61 61 LYS CB C 61 32.626 32.626 32.248 0.378 18521 18784 1 20 . 1 1 61 61 LYS H H 61 7.853 7.853 8.188 -0.335 18521 18785 1 20 . 1 1 62 62 GLU N N 62 121.166 121.166 116.444 4.722 18521 18786 1 20 . 1 1 62 62 GLU HA H 62 3.933 3.933 4.039 -0.106 18521 18787 1 20 . 1 1 62 62 GLU C C 62 178.405 178.405 177.250 1.155 18521 18788 1 20 . 1 1 62 62 GLU CA C 62 58.655 58.655 58.466 0.189 18521 18789 1 20 . 1 1 62 62 GLU CB C 62 29.439 29.439 29.644 -0.205 18521 18790 1 20 . 1 1 62 62 GLU H H 62 7.956 7.956 7.602 0.354 18521 18791 1 20 . 1 1 63 63 ILE N N 63 117.896 117.896 116.514 1.382 18521 18792 1 20 . 1 1 63 63 ILE HA H 63 3.707 3.707 4.192 -0.485 18521 18793 1 20 . 1 1 63 63 ILE C C 63 177.438 177.438 176.756 0.682 18521 18794 1 20 . 1 1 63 63 ILE CA C 63 61.473 61.473 60.325 1.147 18521 18795 1 20 . 1 1 63 63 ILE CB C 63 36.546 36.546 39.020 -2.474 18521 18796 1 20 . 1 1 63 63 ILE H H 63 7.652 7.652 7.270 0.382 18521 18797 1 20 . 1 1 64 64 GLY N N 64 108.028 108.028 109.629 -1.601 18521 18798 1 20 . 1 1 64 64 GLY C C 64 175.261 175.261 175.063 0.198 18521 18799 1 20 . 1 1 64 64 GLY CA C 64 45.891 45.891 47.061 -1.170 18521 18800 1 20 . 1 1 64 64 GLY H H 64 7.654 7.654 8.286 -0.632 18521 18801 1 20 . 1 1 65 65 GLY N N 65 108.488 108.488 107.236 1.252 18521 18802 1 20 . 1 1 65 65 GLY C C 65 174.844 174.844 174.943 -0.099 18521 18803 1 20 . 1 1 65 65 GLY CA C 65 45.608 45.608 45.042 0.566 18521 18804 1 20 . 1 1 65 65 GLY H H 65 7.817 7.817 8.218 -0.401 18521 18805 1 20 . 1 1 66 66 GLU N N 66 121.078 121.078 119.104 1.974 18521 18806 1 20 . 1 1 66 66 GLU HA H 66 4.167 4.167 4.104 0.063 18521 18807 1 20 . 1 1 66 66 GLU C C 66 177.218 177.218 176.479 0.739 18521 18808 1 20 . 1 1 66 66 GLU CA C 66 57.075 57.075 58.879 -1.804 18521 18809 1 20 . 1 1 66 66 GLU CB C 66 30.015 30.015 29.899 0.116 18521 18810 1 20 . 1 1 66 66 GLU H H 66 8.195 8.195 8.598 -0.403 18521 18811 1 20 . 1 1 67 67 SER N N 67 116.370 116.370 109.908 6.462 18521 18812 1 20 . 1 1 67 67 SER HA H 67 4.187 4.187 4.546 -0.359 18521 18813 1 20 . 1 1 67 67 SER C C 67 174.670 174.670 175.854 -1.184 18521 18814 1 20 . 1 1 67 67 SER CA C 67 58.875 58.875 59.485 -0.610 18521 18815 1 20 . 1 1 67 67 SER CB C 67 63.783 63.783 64.811 -1.028 18521 18816 1 20 . 1 1 67 67 SER H H 67 8.205 8.205 8.132 0.073 18521 18817 1 20 . 1 1 68 68 GLU N N 68 122.388 122.388 123.296 -0.908 18521 18818 1 20 . 1 1 68 68 GLU HA H 68 4.173 4.173 4.134 0.039 18521 18819 1 20 . 1 1 68 68 GLU C C 68 176.364 176.364 178.089 -1.725 18521 18820 1 20 . 1 1 68 68 GLU CA C 68 56.734 56.734 58.821 -2.087 18521 18821 1 20 . 1 1 68 68 GLU CB C 68 29.986 29.986 29.232 0.754 18521 18822 1 20 . 1 1 68 68 GLU H H 68 8.170 8.170 8.771 -0.601 18521 18823 1 20 . 1 1 69 69 ALA N N 69 124.265 124.265 121.652 2.613 18521 18824 1 20 . 1 1 69 69 ALA HA H 69 4.212 4.212 4.069 0.143 18521 18825 1 20 . 1 1 69 69 ALA C C 69 178.042 178.042 179.161 -1.119 18521 18826 1 20 . 1 1 69 69 ALA CA C 69 52.468 52.468 55.069 -2.601 18521 18827 1 20 . 1 1 69 69 ALA CB C 69 19.411 19.411 18.210 1.201 18521 18828 1 20 . 1 1 69 69 ALA H H 69 7.931 7.931 8.301 -0.370 18521 18829 1 20 . 1 1 70 70 GLU N N 70 121.086 121.086 117.733 3.353 18521 18830 1 20 . 1 1 70 70 GLU HA H 70 4.110 4.110 4.039 0.071 18521 18831 1 20 . 1 1 70 70 GLU C C 70 180.047 180.047 178.474 1.573 18521 18832 1 20 . 1 1 70 70 GLU CA C 70 57.325 57.325 59.284 -1.959 18521 18833 1 20 . 1 1 70 70 GLU CB C 70 29.969 29.969 29.289 0.680 18521 18834 1 20 . 1 1 70 70 GLU H H 70 8.447 8.447 7.764 0.683 18521 18835 1 20 . 1 1 71 71 ASP N N 71 120.210 120.210 118.807 1.403 18521 18836 1 20 . 1 1 71 71 ASP HA H 71 4.545 4.545 4.527 0.018 18521 18837 1 20 . 1 1 71 71 ASP C C 71 176.385 176.385 176.827 -0.442 18521 18838 1 20 . 1 1 71 71 ASP CA C 71 54.149 54.149 56.430 -2.281 18521 18839 1 20 . 1 1 71 71 ASP CB C 71 40.756 40.756 41.341 -0.585 18521 18840 1 20 . 1 1 71 71 ASP H H 71 8.308 8.308 7.612 0.696 18521 18841 1 20 . 1 1 72 72 SER N N 72 116.137 116.137 112.067 4.070 18521 18842 1 20 . 1 1 72 72 SER HA H 72 4.259 4.259 4.523 -0.264 18521 18843 1 20 . 1 1 72 72 SER C C 72 174.578 174.578 173.050 1.528 18521 18844 1 20 . 1 1 72 72 SER CA C 72 58.851 58.851 58.005 0.846 18521 18845 1 20 . 1 1 72 72 SER CB C 72 63.870 63.870 63.208 0.662 18521 18846 1 20 . 1 1 72 72 SER H H 72 7.954 7.954 7.571 0.383 18521 18847 1 20 . 1 1 73 73 ASP N N 73 122.500 122.500 125.581 -3.081 18521 18848 1 20 . 1 1 73 73 ASP HA H 73 4.534 4.534 4.275 0.259 18521 18849 1 20 . 1 1 73 73 ASP C C 73 176.903 176.903 178.151 -1.248 18521 18850 1 20 . 1 1 73 73 ASP CA C 73 54.442 54.442 56.429 -1.988 18521 18851 1 20 . 1 1 73 73 ASP CB C 73 41.253 41.253 41.026 0.227 18521 18852 1 20 . 1 1 73 73 ASP H H 73 8.384 8.384 8.756 -0.372 18521 18853 1 20 . 1 1 74 74 LYS N N 74 123.374 123.374 119.486 3.888 18521 18854 1 20 . 1 1 74 74 LYS HA H 74 4.099 4.099 3.962 0.137 18521 18855 1 20 . 1 1 74 74 LYS C C 74 177.606 177.606 178.949 -1.343 18521 18856 1 20 . 1 1 74 74 LYS CA C 74 57.527 57.527 60.033 -2.506 18521 18857 1 20 . 1 1 74 74 LYS CB C 74 32.115 32.115 32.187 -0.072 18521 18858 1 20 . 1 1 74 74 LYS H H 74 8.338 8.338 8.476 -0.138 18521 18859 1 20 . 1 1 75 75 SER N N 75 116.404 116.404 114.763 1.641 18521 18860 1 20 . 1 1 75 75 SER HA H 75 4.190 4.190 4.267 -0.077 18521 18861 1 20 . 1 1 75 75 SER C C 75 176.030 176.030 176.716 -0.686 18521 18862 1 20 . 1 1 75 75 SER CA C 75 60.560 60.560 61.050 -0.490 18521 18863 1 20 . 1 1 75 75 SER CB C 75 62.971 62.971 62.955 0.016 18521 18864 1 20 . 1 1 75 75 SER H H 75 8.409 8.409 7.881 0.528 18521 18865 1 20 . 1 1 76 76 LEU N N 76 123.753 123.753 123.690 0.063 18521 18866 1 20 . 1 1 76 76 LEU HA H 76 4.121 4.121 4.119 0.002 18521 18867 1 20 . 1 1 76 76 LEU C C 76 178.263 178.263 177.642 0.621 18521 18868 1 20 . 1 1 76 76 LEU CA C 76 56.665 56.665 57.179 -0.514 18521 18869 1 20 . 1 1 76 76 LEU CB C 76 41.538 41.538 41.706 -0.168 18521 18870 1 20 . 1 1 76 76 LEU H H 76 8.068 8.068 8.224 -0.156 18521 18871 1 20 . 1 1 77 77 HIS N N 77 120.235 120.235 119.397 0.838 18521 18872 1 20 . 1 1 77 77 HIS HA H 77 4.372 4.372 4.205 0.167 18521 18873 1 20 . 1 1 77 77 HIS C C 77 177.974 177.974 177.639 0.335 18521 18874 1 20 . 1 1 77 77 HIS CA C 77 58.504 58.504 60.119 -1.615 18521 18875 1 20 . 1 1 77 77 HIS CB C 77 30.124 30.124 29.779 0.345 18521 18876 1 20 . 1 1 77 77 HIS H H 77 7.955 7.955 8.737 -0.782 18521 18877 1 20 . 1 1 78 78 VAL N N 78 121.721 121.721 119.790 1.931 18521 18878 1 20 . 1 1 78 78 VAL HA H 78 3.612 3.612 3.567 0.045 18521 18879 1 20 . 1 1 78 78 VAL C C 78 177.688 177.688 177.599 0.089 18521 18880 1 20 . 1 1 78 78 VAL CA C 78 65.817 65.817 65.850 -0.033 18521 18881 1 20 . 1 1 78 78 VAL CB C 78 31.729 31.729 31.828 -0.099 18521 18882 1 20 . 1 1 78 78 VAL H H 78 7.953 7.953 7.489 0.464 18521 18883 1 20 . 1 1 79 79 MET N N 79 119.138 119.138 118.551 0.587 18521 18884 1 20 . 1 1 79 79 MET HA H 79 3.879 3.879 3.983 -0.104 18521 18885 1 20 . 1 1 79 79 MET C C 79 180.609 180.609 177.878 2.731 18521 18886 1 20 . 1 1 79 79 MET CA C 79 59.210 59.210 59.021 0.189 18521 18887 1 20 . 1 1 79 79 MET CB C 79 34.157 34.157 32.413 1.744 18521 18888 1 20 . 1 1 79 79 MET H H 79 8.132 8.132 7.908 0.224 18521 18889 1 20 . 1 1 80 80 ASN N N 80 117.000 117.000 117.127 -0.127 18521 18890 1 20 . 1 1 80 80 ASN HA H 80 4.161 4.161 4.517 -0.356 18521 18891 1 20 . 1 1 80 80 ASN C C 80 178.212 178.212 176.964 1.248 18521 18892 1 20 . 1 1 80 80 ASN CA C 80 56.827 56.827 56.915 -0.088 18521 18893 1 20 . 1 1 80 80 ASN CB C 80 38.920 38.920 37.954 0.966 18521 18894 1 20 . 1 1 80 80 ASN H H 80 8.195 8.195 8.519 -0.324 18521 18895 1 20 . 1 1 81 81 THR N N 81 116.021 116.021 117.550 -1.529 18521 18896 1 20 . 1 1 81 81 THR HA H 81 3.975 3.975 4.033 -0.058 18521 18897 1 20 . 1 1 81 81 THR C C 81 175.237 175.237 176.611 -1.374 18521 18898 1 20 . 1 1 81 81 THR CA C 81 66.507 66.507 67.107 -0.600 18521 18899 1 20 . 1 1 81 81 THR CB C 81 68.813 68.813 68.476 0.337 18521 18900 1 20 . 1 1 81 81 THR H H 81 7.952 7.952 7.771 0.181 18521 18901 1 20 . 1 1 82 82 LEU N N 82 119.041 119.041 119.927 -0.886 18521 18902 1 20 . 1 1 82 82 LEU HA H 82 4.040 4.040 4.091 -0.051 18521 18903 1 20 . 1 1 82 82 LEU C C 82 177.541 177.541 178.067 -0.526 18521 18904 1 20 . 1 1 82 82 LEU CA C 82 56.468 56.468 57.647 -1.179 18521 18905 1 20 . 1 1 82 82 LEU CB C 82 42.247 42.247 41.838 0.409 18521 18906 1 20 . 1 1 82 82 LEU H H 82 7.655 7.655 7.524 0.131 18521 18907 1 20 . 1 1 83 83 ILE N N 83 118.063 118.063 115.702 2.361 18521 18908 1 20 . 1 1 83 83 ILE HA H 83 3.805 3.805 4.006 -0.201 18521 18909 1 20 . 1 1 83 83 ILE C C 83 176.681 176.681 178.840 -2.159 18521 18910 1 20 . 1 1 83 83 ILE CA C 83 63.188 63.188 63.806 -0.618 18521 18911 1 20 . 1 1 83 83 ILE CB C 83 37.939 37.939 38.397 -0.458 18521 18912 1 20 . 1 1 83 83 ILE H H 83 7.455 7.455 7.157 0.298 18521 18913 1 20 . 1 1 84 84 HIS N N 84 116.118 116.118 117.065 -0.947 18521 18914 1 20 . 1 1 84 84 HIS HA H 84 4.568 4.568 4.468 0.100 18521 18915 1 20 . 1 1 84 84 HIS C C 84 175.568 175.568 175.424 0.144 18521 18916 1 20 . 1 1 84 84 HIS CA C 84 58.425 58.425 59.258 -0.833 18521 18917 1 20 . 1 1 84 84 HIS CB C 84 31.801 31.801 30.630 1.171 18521 18918 1 20 . 1 1 84 84 HIS H H 84 7.168 7.168 8.723 -1.555 18521 18919 1 20 . 1 1 85 85 ASP N N 85 122.411 122.411 119.849 2.562 18521 18920 1 20 . 1 1 85 85 ASP HA H 85 4.546 4.546 4.740 -0.194 18521 18921 1 20 . 1 1 85 85 ASP C C 85 175.527 175.527 176.867 -1.340 18521 18922 1 20 . 1 1 85 85 ASP CA C 85 53.215 53.215 53.395 -0.180 18521 18923 1 20 . 1 1 85 85 ASP CB C 85 40.936 40.936 40.782 0.154 18521 18924 1 20 . 1 1 85 85 ASP H H 85 8.576 8.576 8.044 0.532 18521 18925 1 20 . 1 1 86 86 GLN N N 86 122.561 122.561 126.788 -4.227 18521 18926 1 20 . 1 1 86 86 GLN HA H 86 4.077 4.077 4.282 -0.205 18521 18927 1 20 . 1 1 86 86 GLN C C 86 178.518 178.518 178.246 0.272 18521 18928 1 20 . 1 1 86 86 GLN CA C 86 57.816 57.816 58.717 -0.901 18521 18929 1 20 . 1 1 86 86 GLN CB C 86 29.165 29.165 28.844 0.321 18521 18930 1 20 . 1 1 86 86 GLN H H 86 8.715 8.715 8.496 0.219 18521 18931 1 20 . 1 1 87 87 GLU N N 87 121.616 121.616 119.410 2.206 18521 18932 1 20 . 1 1 87 87 GLU HA H 87 4.042 4.042 3.734 0.308 18521 18933 1 20 . 1 1 87 87 GLU C C 87 178.154 178.154 178.001 0.153 18521 18934 1 20 . 1 1 87 87 GLU CA C 87 59.051 59.051 59.725 -0.674 18521 18935 1 20 . 1 1 87 87 GLU CB C 87 29.231 29.231 29.470 -0.239 18521 18936 1 20 . 1 1 87 87 GLU H H 87 8.073 8.073 7.985 0.088 18521 18937 1 20 . 1 1 88 88 LYS N N 88 119.006 119.006 118.963 0.043 18521 18938 1 20 . 1 1 88 88 LYS HA H 88 3.754 3.754 3.991 -0.237 18521 18939 1 20 . 1 1 88 88 LYS C C 88 177.129 177.129 178.410 -1.281 18521 18940 1 20 . 1 1 88 88 LYS CA C 88 59.721 59.721 58.949 0.772 18521 18941 1 20 . 1 1 88 88 LYS CB C 88 32.253 32.253 32.313 -0.060 18521 18942 1 20 . 1 1 88 88 LYS H H 88 7.525 7.525 7.644 -0.119 18521 18943 1 20 . 1 1 89 89 ALA N N 89 121.945 121.945 121.470 0.475 18521 18944 1 20 . 1 1 89 89 ALA HA H 89 3.734 3.734 4.021 -0.287 18521 18945 1 20 . 1 1 89 89 ALA C C 89 177.545 177.545 178.922 -1.377 18521 18946 1 20 . 1 1 89 89 ALA CA C 89 55.977 55.977 55.130 0.847 18521 18947 1 20 . 1 1 89 89 ALA CB C 89 18.763 18.763 17.993 0.770 18521 18948 1 20 . 1 1 89 89 ALA H H 89 8.472 8.472 7.921 0.551 18521 18949 1 20 . 1 1 90 90 LYS N N 90 117.743 117.743 119.014 -1.271 18521 18950 1 20 . 1 1 90 90 LYS HA H 90 4.015 4.015 2.520 1.495 18521 18951 1 20 . 1 1 90 90 LYS C C 90 177.667 177.667 178.486 -0.819 18521 18952 1 20 . 1 1 90 90 LYS CA C 90 58.703 58.703 58.365 0.338 18521 18953 1 20 . 1 1 90 90 LYS CB C 90 32.779 32.779 31.270 1.510 18521 18954 1 20 . 1 1 90 90 LYS H H 90 6.684 6.684 7.294 -0.610 18521 18955 1 20 . 1 1 91 91 ILE N N 91 117.216 117.216 118.511 -1.295 18521 18956 1 20 . 1 1 91 91 ILE HA H 91 3.414 3.414 3.602 -0.188 18521 18957 1 20 . 1 1 91 91 ILE C C 91 178.422 178.422 177.899 0.523 18521 18958 1 20 . 1 1 91 91 ILE CA C 91 64.094 64.094 65.262 -1.168 18521 18959 1 20 . 1 1 91 91 ILE CB C 91 37.481 37.481 37.734 -0.253 18521 18960 1 20 . 1 1 91 91 ILE H H 91 7.196 7.196 7.251 -0.055 18521 18961 1 20 . 1 1 92 92 TYR N N 92 122.201 122.201 120.825 1.376 18521 18962 1 20 . 1 1 92 92 TYR HA H 92 4.047 4.047 4.050 -0.003 18521 18963 1 20 . 1 1 92 92 TYR C C 92 177.726 177.726 177.462 0.264 18521 18964 1 20 . 1 1 92 92 TYR CA C 92 61.771 61.771 61.857 -0.086 18521 18965 1 20 . 1 1 92 92 TYR CB C 92 39.295 39.295 38.446 0.849 18521 18966 1 20 . 1 1 92 92 TYR H H 92 8.466 8.466 7.513 0.954 18521 18967 1 20 . 1 1 93 93 MET N N 93 117.420 117.420 119.647 -2.227 18521 18968 1 20 . 1 1 93 93 MET HA H 93 3.896 3.896 3.992 -0.096 18521 18969 1 20 . 1 1 93 93 MET C C 93 180.221 180.221 177.824 2.397 18521 18970 1 20 . 1 1 93 93 MET CA C 93 57.586 57.586 57.974 -0.388 18521 18971 1 20 . 1 1 93 93 MET CB C 93 30.854 30.854 32.197 -1.343 18521 18972 1 20 . 1 1 93 93 MET H H 93 8.269 8.269 8.496 -0.227 18521 18973 1 20 . 1 1 94 94 LEU N N 94 125.183 125.183 120.615 4.568 18521 18974 1 20 . 1 1 94 94 LEU HA H 94 3.826 3.826 3.869 -0.043 18521 18975 1 20 . 1 1 94 94 LEU C C 94 177.787 177.787 178.210 -0.423 18521 18976 1 20 . 1 1 94 94 LEU CA C 94 58.729 58.729 58.655 0.074 18521 18977 1 20 . 1 1 94 94 LEU CB C 94 42.188 42.188 41.473 0.715 18521 18978 1 20 . 1 1 94 94 LEU H H 94 8.733 8.733 8.440 0.293 18521 18979 1 20 . 1 1 95 95 ASN N N 95 121.517 121.517 118.474 3.043 18521 18980 1 20 . 1 1 95 95 ASN HA H 95 4.184 4.184 4.318 -0.134 18521 18981 1 20 . 1 1 95 95 ASN C C 95 178.481 178.481 177.858 0.623 18521 18982 1 20 . 1 1 95 95 ASN CA C 95 56.312 56.312 55.993 0.319 18521 18983 1 20 . 1 1 95 95 ASN H H 95 8.951 8.951 8.207 0.744 18521 18984 1 20 . 1 1 96 96 PHE N N 96 122.778 122.778 121.647 1.131 18521 18985 1 20 . 1 1 96 96 PHE HA H 96 4.341 4.341 4.068 0.273 18521 18986 1 20 . 1 1 96 96 PHE C C 96 177.925 177.925 176.686 1.239 18521 18987 1 20 . 1 1 96 96 PHE CA C 96 62.427 62.427 62.165 0.262 18521 18988 1 20 . 1 1 96 96 PHE H H 96 8.454 8.454 8.445 0.009 18521 18989 1 20 . 1 1 97 97 THR N N 97 117.115 117.115 117.115 0.000 18521 18990 1 20 . 1 1 97 97 THR HA H 97 3.369 3.369 3.732 -0.363 18521 18991 1 20 . 1 1 97 97 THR C C 97 176.185 176.185 176.825 -0.640 18521 18992 1 20 . 1 1 97 97 THR CA C 97 68.090 68.090 67.213 0.877 18521 18993 1 20 . 1 1 97 97 THR CB C 97 68.087 68.087 68.499 -0.412 18521 18994 1 20 . 1 1 97 97 THR H H 97 8.209 8.209 8.647 -0.438 18521 18995 1 20 . 1 1 98 98 MET N N 98 119.373 119.373 120.272 -0.899 18521 18996 1 20 . 1 1 98 98 MET HA H 98 4.360 4.360 4.366 -0.006 18521 18997 1 20 . 1 1 98 98 MET C C 98 177.887 177.887 178.472 -0.585 18521 18998 1 20 . 1 1 98 98 MET CA C 98 58.143 58.143 57.655 0.488 18521 18999 1 20 . 1 1 98 98 MET CB C 98 31.948 31.948 31.382 0.566 18521 19000 1 20 . 1 1 98 98 MET H H 98 8.958 8.958 8.821 0.137 18521 19001 1 20 . 1 1 99 99 SER N N 99 114.517 114.517 116.146 -1.629 18521 19002 1 20 . 1 1 99 99 SER HA H 99 4.043 4.043 4.179 -0.136 18521 19003 1 20 . 1 1 99 99 SER C C 99 176.195 176.195 176.870 -0.675 18521 19004 1 20 . 1 1 99 99 SER CA C 99 62.481 62.481 61.435 1.046 18521 19005 1 20 . 1 1 99 99 SER CB C 99 62.692 62.692 62.675 0.017 18521 19006 1 20 . 1 1 99 99 SER H H 99 7.708 7.708 7.921 -0.213 18521 19007 1 20 . 1 1 100 100 LEU N N 100 125.126 125.126 123.794 1.332 18521 19008 1 20 . 1 1 100 100 LEU HA H 100 3.913 3.913 4.008 -0.095 18521 19009 1 20 . 1 1 100 100 LEU C C 100 177.327 177.327 178.276 -0.949 18521 19010 1 20 . 1 1 100 100 LEU CA C 100 58.005 58.005 57.380 0.625 18521 19011 1 20 . 1 1 100 100 LEU CB C 100 41.841 41.841 41.533 0.308 18521 19012 1 20 . 1 1 100 100 LEU H H 100 7.277 7.277 7.788 -0.511 18521 19013 1 20 . 1 1 101 101 TYR N N 101 120.940 120.940 120.129 0.811 18521 19014 1 20 . 1 1 101 101 TYR HA H 101 4.143 4.143 4.125 0.018 18521 19015 1 20 . 1 1 101 101 TYR C C 101 176.784 176.784 177.463 -0.679 18521 19016 1 20 . 1 1 101 101 TYR CA C 101 61.543 61.543 61.853 -0.310 18521 19017 1 20 . 1 1 101 101 TYR CB C 101 40.909 40.909 38.486 2.423 18521 19018 1 20 . 1 1 101 101 TYR H H 101 8.858 8.858 8.913 -0.055 18521 19019 1 20 . 1 1 102 102 ASN N N 102 119.067 119.067 117.514 1.553 18521 19020 1 20 . 1 1 102 102 ASN HA H 102 4.116 4.116 4.189 -0.073 18521 19021 1 20 . 1 1 102 102 ASN C C 102 178.713 178.713 177.203 1.510 18521 19022 1 20 . 1 1 102 102 ASN CA C 102 55.734 55.734 55.983 -0.248 18521 19023 1 20 . 1 1 102 102 ASN H H 102 8.700 8.700 8.843 -0.143 18521 19024 1 20 . 1 1 103 103 GLU N N 103 119.558 119.558 120.457 -0.899 18521 19025 1 20 . 1 1 103 103 GLU HA H 103 3.944 3.944 3.910 0.034 18521 19026 1 20 . 1 1 103 103 GLU C C 103 179.012 179.012 178.855 0.157 18521 19027 1 20 . 1 1 103 103 GLU CA C 103 59.506 59.506 59.808 -0.302 18521 19028 1 20 . 1 1 103 103 GLU CB C 103 29.349 29.349 29.547 -0.198 18521 19029 1 20 . 1 1 103 103 GLU H H 103 7.599 7.599 8.138 -0.539 18521 19030 1 20 . 1 1 104 104 LYS N N 104 120.218 120.218 118.638 1.580 18521 19031 1 20 . 1 1 104 104 LYS HA H 104 4.051 4.051 4.011 0.040 18521 19032 1 20 . 1 1 104 104 LYS C C 104 178.477 178.477 179.191 -0.714 18521 19033 1 20 . 1 1 104 104 LYS CA C 104 56.534 56.534 58.556 -2.022 18521 19034 1 20 . 1 1 104 104 LYS CB C 104 29.108 29.108 32.167 -3.059 18521 19035 1 20 . 1 1 104 104 LYS H H 104 8.311 8.311 7.844 0.467 18521 19036 1 20 . 1 1 105 105 LEU N N 105 122.110 122.110 120.221 1.889 18521 19037 1 20 . 1 1 105 105 LEU HA H 105 3.774 3.774 3.880 -0.106 18521 19038 1 20 . 1 1 105 105 LEU C C 105 180.224 180.224 178.585 1.639 18521 19039 1 20 . 1 1 105 105 LEU CA C 105 58.148 58.148 57.671 0.477 18521 19040 1 20 . 1 1 105 105 LEU CB C 105 42.394 42.394 41.503 0.891 18521 19041 1 20 . 1 1 105 105 LEU H H 105 8.604 8.604 8.044 0.560 18521 19042 1 20 . 1 1 106 106 LYS N N 106 119.031 119.031 119.233 -0.202 18521 19043 1 20 . 1 1 106 106 LYS HA H 106 4.035 4.035 3.745 0.290 18521 19044 1 20 . 1 1 106 106 LYS C C 106 178.496 178.496 179.020 -0.524 18521 19045 1 20 . 1 1 106 106 LYS CA C 106 59.820 59.820 59.610 0.210 18521 19046 1 20 . 1 1 106 106 LYS CB C 106 31.956 31.956 32.156 -0.200 18521 19047 1 20 . 1 1 106 106 LYS H H 106 7.339 7.339 8.157 -0.818 18521 19048 1 20 . 1 1 107 107 GLN N N 107 121.417 121.417 117.435 3.982 18521 19049 1 20 . 1 1 107 107 GLN HA H 107 3.744 3.744 3.831 -0.087 18521 19050 1 20 . 1 1 107 107 GLN C C 107 178.103 178.103 178.792 -0.689 18521 19051 1 20 . 1 1 107 107 GLN CA C 107 58.582 58.582 58.071 0.511 18521 19052 1 20 . 1 1 107 107 GLN CB C 107 26.969 26.969 27.998 -1.029 18521 19053 1 20 . 1 1 107 107 GLN H H 107 7.590 7.590 7.570 0.020 18521 19054 1 20 . 1 1 108 108 LEU N N 108 120.629 120.629 118.609 2.020 18521 19055 1 20 . 1 1 108 108 LEU HA H 108 3.806 3.806 4.482 -0.676 18521 19056 1 20 . 1 1 108 108 LEU C C 108 178.978 178.978 178.523 0.455 18521 19057 1 20 . 1 1 108 108 LEU CA C 108 58.306 58.306 57.370 0.936 18521 19058 1 20 . 1 1 108 108 LEU CB C 108 42.112 42.112 41.797 0.315 18521 19059 1 20 . 1 1 108 108 LEU H H 108 8.450 8.450 7.349 1.101 18521 19060 1 20 . 1 1 109 109 LYS N N 109 119.584 119.584 117.494 2.090 18521 19061 1 20 . 1 1 109 109 LYS HA H 109 4.166 4.166 4.087 0.079 18521 19062 1 20 . 1 1 109 109 LYS C C 109 177.859 177.859 177.110 0.749 18521 19063 1 20 . 1 1 109 109 LYS CA C 109 58.746 58.746 58.736 0.010 18521 19064 1 20 . 1 1 109 109 LYS CB C 109 32.637 32.637 32.740 -0.103 18521 19065 1 20 . 1 1 109 109 LYS H H 109 7.295 7.295 7.718 -0.423 18521 19066 1 20 . 1 1 110 110 ASP N N 110 116.950 116.950 113.253 3.697 18521 19067 1 20 . 1 1 110 110 ASP HA H 110 4.604 4.604 4.996 -0.392 18521 19068 1 20 . 1 1 110 110 ASP C C 110 177.157 177.157 174.943 2.214 18521 19069 1 20 . 1 1 110 110 ASP CA C 110 55.768 55.768 54.368 1.400 18521 19070 1 20 . 1 1 110 110 ASP CB C 110 42.724 42.724 43.427 -0.703 18521 19071 1 20 . 1 1 110 110 ASP H H 110 7.807 7.807 7.677 0.130 18521 19072 1 20 . 1 1 111 111 GLY N N 111 114.046 114.046 110.255 3.791 18521 19073 1 20 . 1 1 111 111 GLY CA C 111 41.845 41.845 44.331 -2.486 18521 19074 1 20 . 1 1 111 111 GLY H H 111 8.554 8.554 7.374 1.180 18521 19075 1 20 . 1 1 112 112 PRO HA H 112 4.552 4.552 4.028 0.524 18521 19076 1 20 . 1 1 112 112 PRO C C 112 174.967 174.967 175.776 -0.809 18521 19077 1 20 . 1 1 112 112 PRO CA C 112 61.222 61.222 62.783 -1.561 18521 19078 1 20 . 1 1 112 112 PRO CB C 112 35.056 35.056 32.183 2.873 18521 19079 1 20 . 1 1 113 113 TRP N N 113 123.139 123.139 122.926 0.213 18521 19080 1 20 . 1 1 113 113 TRP HA H 113 4.650 4.650 4.827 -0.177 18521 19081 1 20 . 1 1 113 113 TRP C C 113 174.604 174.604 175.342 -0.738 18521 19082 1 20 . 1 1 113 113 TRP CA C 113 58.154 58.154 56.703 1.451 18521 19083 1 20 . 1 1 113 113 TRP CB C 113 27.048 27.048 31.139 -4.091 18521 19084 1 20 . 1 1 113 113 TRP H H 113 8.671 8.671 8.553 0.117 18521 19085 1 20 . 1 1 114 114 ASP N N 114 121.440 121.440 119.260 2.180 18521 19086 1 20 . 1 1 114 114 ASP HA H 114 4.930 4.930 4.820 0.110 18521 19087 1 20 . 1 1 114 114 ASP C C 114 176.979 176.979 176.086 0.893 18521 19088 1 20 . 1 1 114 114 ASP CA C 114 52.223 52.223 52.766 -0.542 18521 19089 1 20 . 1 1 114 114 ASP CB C 114 43.192 43.192 42.208 0.985 18521 19090 1 20 . 1 1 114 114 ASP H H 114 6.950 6.950 8.137 -1.187 18521 19091 1 20 . 1 1 115 115 VAL N N 115 118.386 118.386 119.807 -1.421 18521 19092 1 20 . 1 1 115 115 VAL HA H 115 3.825 3.825 3.703 0.122 18521 19093 1 20 . 1 1 115 115 VAL C C 115 177.760 177.760 177.951 -0.191 18521 19094 1 20 . 1 1 115 115 VAL CA C 115 65.611 65.611 65.872 -0.261 18521 19095 1 20 . 1 1 115 115 VAL CB C 115 31.657 31.657 32.153 -0.496 18521 19096 1 20 . 1 1 115 115 VAL H H 115 8.181 8.181 8.297 -0.116 18521 19097 1 20 . 1 1 116 116 MET N N 116 120.354 120.354 119.150 1.204 18521 19098 1 20 . 1 1 116 116 MET HA H 116 4.284 4.284 4.150 0.134 18521 19099 1 20 . 1 1 116 116 MET C C 116 179.336 179.336 178.127 1.209 18521 19100 1 20 . 1 1 116 116 MET CA C 116 57.392 57.392 58.733 -1.341 18521 19101 1 20 . 1 1 116 116 MET CB C 116 30.450 30.450 32.294 -1.844 18521 19102 1 20 . 1 1 116 116 MET H H 116 7.661 7.661 7.955 -0.294 18521 19103 1 20 . 1 1 117 117 LEU N N 117 125.774 125.774 120.554 5.220 18521 19104 1 20 . 1 1 117 117 LEU HA H 117 4.129 4.129 4.114 0.015 18521 19105 1 20 . 1 1 117 117 LEU C C 117 178.399 178.399 178.416 -0.017 18521 19106 1 20 . 1 1 117 117 LEU CA C 117 58.353 58.353 58.544 -0.191 18521 19107 1 20 . 1 1 117 117 LEU CB C 117 40.392 40.392 41.654 -1.262 18521 19108 1 20 . 1 1 117 117 LEU H H 117 8.179 8.179 8.967 -0.788 18521 19109 1 20 . 1 1 118 118 LYS N N 118 118.471 118.471 118.830 -0.359 18521 19110 1 20 . 1 1 118 118 LYS HA H 118 3.824 3.824 3.951 -0.127 18521 19111 1 20 . 1 1 118 118 LYS C C 118 178.259 178.259 179.069 -0.810 18521 19112 1 20 . 1 1 118 118 LYS CA C 118 60.497 60.497 60.027 0.470 18521 19113 1 20 . 1 1 118 118 LYS CB C 118 32.355 32.355 32.289 0.066 18521 19114 1 20 . 1 1 118 118 LYS H H 118 7.359 7.359 7.495 -0.136 18521 19115 1 20 . 1 1 119 119 ARG N N 119 117.838 117.838 118.438 -0.600 18521 19116 1 20 . 1 1 119 119 ARG HA H 119 4.158 4.158 4.237 -0.079 18521 19117 1 20 . 1 1 119 119 ARG C C 119 180.132 180.132 179.178 0.954 18521 19118 1 20 . 1 1 119 119 ARG CA C 119 59.535 59.535 59.570 -0.035 18521 19119 1 20 . 1 1 119 119 ARG CB C 119 29.994 29.994 30.360 -0.366 18521 19120 1 20 . 1 1 119 119 ARG H H 119 8.316 8.316 8.091 0.225 18521 19121 1 20 . 1 1 120 120 SER N N 120 117.258 117.258 116.441 0.817 18521 19122 1 20 . 1 1 120 120 SER HA H 120 4.374 4.374 4.293 0.081 18521 19123 1 20 . 1 1 120 120 SER C C 120 176.034 176.034 176.637 -0.603 18521 19124 1 20 . 1 1 120 120 SER CA C 120 62.728 62.728 61.912 0.816 18521 19125 1 20 . 1 1 120 120 SER CB C 120 63.050 63.050 62.775 0.275 18521 19126 1 20 . 1 1 120 120 SER H H 120 8.598 8.598 8.111 0.487 18521 19127 1 20 . 1 1 121 121 LEU N N 121 125.307 125.307 123.009 2.298 18521 19128 1 20 . 1 1 121 121 LEU HA H 121 4.192 4.192 4.171 0.021 18521 19129 1 20 . 1 1 121 121 LEU C C 121 179.621 179.621 179.076 0.545 18521 19130 1 20 . 1 1 121 121 LEU CA C 121 58.894 58.894 57.996 0.898 18521 19131 1 20 . 1 1 121 121 LEU CB C 121 41.188 41.188 41.610 -0.422 18521 19132 1 20 . 1 1 121 121 LEU H H 121 8.250 8.250 8.294 -0.044 18521 19133 1 20 . 1 1 122 122 TRP N N 122 120.444 120.444 119.562 0.882 18521 19134 1 20 . 1 1 122 122 TRP HA H 122 4.368 4.368 4.364 0.004 18521 19135 1 20 . 1 1 122 122 TRP C C 122 176.943 176.943 178.591 -1.648 18521 19136 1 20 . 1 1 122 122 TRP CA C 122 61.452 61.452 61.872 -0.420 18521 19137 1 20 . 1 1 122 122 TRP CB C 122 29.823 29.823 29.147 0.676 18521 19138 1 20 . 1 1 122 122 TRP H H 122 7.873 7.873 7.780 0.093 18521 19139 1 20 . 1 1 123 123 CYS N N 123 120.188 120.188 119.533 0.655 18521 19140 1 20 . 1 1 123 123 CYS HA H 123 4.264 4.264 4.186 0.078 18521 19141 1 20 . 1 1 123 123 CYS C C 123 176.875 176.875 177.062 -0.187 18521 19142 1 20 . 1 1 123 123 CYS CA C 123 60.573 60.573 63.023 -2.450 18521 19143 1 20 . 1 1 123 123 CYS CB C 123 25.642 25.642 27.650 -2.008 18521 19144 1 20 . 1 1 123 123 CYS H H 123 8.271 8.271 8.059 0.212 18521 19145 1 20 . 1 1 124 124 CYS N N 124 116.760 116.760 119.107 -2.347 18521 19146 1 20 . 1 1 124 124 CYS HA H 124 3.880 3.880 4.132 -0.252 18521 19147 1 20 . 1 1 124 124 CYS C C 124 175.810 175.810 176.937 -1.127 18521 19148 1 20 . 1 1 124 124 CYS CA C 124 65.646 65.646 63.492 2.154 18521 19149 1 20 . 1 1 124 124 CYS CB C 124 28.069 28.069 26.638 1.431 18521 19150 1 20 . 1 1 124 124 CYS H H 124 8.208 8.208 7.988 0.220 18521 19151 1 20 . 1 1 125 125 ILE N N 125 121.167 121.167 121.497 -0.330 18521 19152 1 20 . 1 1 125 125 ILE HA H 125 3.580 3.580 3.795 -0.215 18521 19153 1 20 . 1 1 125 125 ILE C C 125 179.302 179.302 177.692 1.610 18521 19154 1 20 . 1 1 125 125 ILE CA C 125 67.663 67.663 66.011 1.652 18521 19155 1 20 . 1 1 125 125 ILE CB C 125 37.988 37.988 37.426 0.562 18521 19156 1 20 . 1 1 125 125 ILE H H 125 8.073 8.073 7.832 0.241 18521 19157 1 20 . 1 1 126 126 ASP N N 126 124.812 124.812 120.258 4.554 18521 19158 1 20 . 1 1 126 126 ASP HA H 126 4.622 4.622 4.523 0.099 18521 19159 1 20 . 1 1 126 126 ASP C C 126 178.091 178.091 179.380 -1.289 18521 19160 1 20 . 1 1 126 126 ASP CA C 126 58.885 58.885 57.452 1.433 18521 19161 1 20 . 1 1 126 126 ASP CB C 126 40.408 40.408 40.437 -0.029 18521 19162 1 20 . 1 1 126 126 ASP H H 126 8.778 8.778 7.859 0.919 18521 19163 1 20 . 1 1 127 127 LEU N N 127 122.531 122.531 120.363 2.168 18521 19164 1 20 . 1 1 127 127 LEU HA H 127 3.841 3.841 3.880 -0.039 18521 19165 1 20 . 1 1 127 127 LEU C C 127 179.582 179.582 178.931 0.651 18521 19166 1 20 . 1 1 127 127 LEU CA C 127 58.632 58.632 57.811 0.821 18521 19167 1 20 . 1 1 127 127 LEU CB C 127 42.680 42.680 41.533 1.147 18521 19168 1 20 . 1 1 127 127 LEU H H 127 8.888 8.888 7.447 1.440 18521 19169 1 20 . 1 1 128 128 ILE N N 128 121.311 121.311 119.399 1.912 18521 19170 1 20 . 1 1 128 128 ILE HA H 128 3.938 3.938 3.703 0.235 18521 19171 1 20 . 1 1 128 128 ILE C C 128 176.725 176.725 178.324 -1.599 18521 19172 1 20 . 1 1 128 128 ILE CA C 128 60.922 60.922 65.173 -4.251 18521 19173 1 20 . 1 1 128 128 ILE CB C 128 38.971 38.971 37.275 1.696 18521 19174 1 20 . 1 1 128 128 ILE H H 128 7.469 7.469 7.793 -0.324 18521 19175 1 20 . 1 1 129 129 ASN N N 129 122.727 122.727 118.625 4.102 18521 19176 1 20 . 1 1 129 129 ASN HA H 129 4.582 4.582 4.411 0.171 18521 19177 1 20 . 1 1 129 129 ASN C C 129 177.132 177.132 177.408 -0.276 18521 19178 1 20 . 1 1 129 129 ASN CA C 129 52.982 52.982 57.277 -4.295 18521 19179 1 20 . 1 1 129 129 ASN CB C 129 38.792 38.792 37.939 0.853 18521 19180 1 20 . 1 1 129 129 ASN H H 129 8.173 8.173 8.150 0.023 18521 19181 1 20 . 1 1 130 130 ILE N N 130 120.527 120.527 121.807 -1.280 18521 19182 1 20 . 1 1 130 130 ILE HA H 130 4.305 4.305 2.435 1.870 18521 19183 1 20 . 1 1 130 130 ILE C C 130 175.796 175.796 177.392 -1.596 18521 19184 1 20 . 1 1 130 130 ILE CA C 130 61.246 61.246 66.154 -4.908 18521 19185 1 20 . 1 1 130 130 ILE CB C 130 38.797 38.797 37.187 1.610 18521 19186 1 20 . 1 1 130 130 ILE H H 130 8.096 8.096 7.594 0.502 18521 19187 1 20 . 1 1 131 131 ASP N N 131 122.165 122.165 120.635 1.530 18521 19188 1 20 . 1 1 131 131 ASP HA H 131 4.416 4.416 4.079 0.337 18521 19189 1 20 . 1 1 131 131 ASP C C 131 176.750 176.750 178.132 -1.382 18521 19190 1 20 . 1 1 131 131 ASP CA C 131 55.955 55.955 58.454 -2.499 18521 19191 1 20 . 1 1 131 131 ASP CB C 131 41.117 41.117 40.627 0.490 18521 19192 1 20 . 1 1 131 131 ASP H H 131 8.157 8.157 7.945 0.212 18521 19193 1 20 . 1 1 132 132 LYS N N 132 119.537 119.537 118.189 1.348 18521 19194 1 20 . 1 1 132 132 LYS HA H 132 4.373 4.373 3.905 0.468 18521 19195 1 20 . 1 1 132 132 LYS C C 132 176.405 176.405 178.361 -1.956 18521 19196 1 20 . 1 1 132 132 LYS CA C 132 55.699 55.699 59.301 -3.602 18521 19197 1 20 . 1 1 132 132 LYS CB C 132 32.822 32.822 32.085 0.737 18521 19198 1 20 . 1 1 132 132 LYS H H 132 8.023 8.023 7.787 0.236 18521 19199 1 20 . 1 1 133 133 LEU N N 133 120.242 120.242 120.046 0.196 18521 19200 1 20 . 1 1 133 133 LEU HA H 133 4.158 4.158 4.296 -0.138 18521 19201 1 20 . 1 1 133 133 LEU C C 133 178.449 178.449 179.746 -1.297 18521 19202 1 20 . 1 1 133 133 LEU CA C 133 57.538 57.538 58.157 -0.620 18521 19203 1 20 . 1 1 133 133 LEU CB C 133 41.572 41.572 42.737 -1.165 18521 19204 1 20 . 1 1 133 133 LEU H H 133 8.024 8.024 7.656 0.368 18521 19205 1 20 . 1 1 134 134 GLN N N 134 117.985 117.985 118.335 -0.350 18521 19206 1 20 . 1 1 134 134 GLN HA H 134 4.018 4.018 3.756 0.262 18521 19207 1 20 . 1 1 134 134 GLN C C 134 179.500 179.500 176.864 2.636 18521 19208 1 20 . 1 1 134 134 GLN CA C 134 58.175 58.175 58.073 0.102 18521 19209 1 20 . 1 1 134 134 GLN CB C 134 29.102 29.102 28.233 0.869 18521 19210 1 20 . 1 1 134 134 GLN H H 134 8.536 8.536 8.385 0.151 18521 19211 1 20 . 1 1 135 135 TRP N N 135 115.550 115.550 115.875 -0.325 18521 19212 1 20 . 1 1 135 135 TRP HA H 135 4.991 4.991 4.881 0.110 18521 19213 1 20 . 1 1 135 135 TRP C C 135 175.170 175.170 175.217 -0.047 18521 19214 1 20 . 1 1 135 135 TRP CA C 135 59.426 59.426 56.125 3.301 18521 19215 1 20 . 1 1 135 135 TRP CB C 135 26.894 26.894 28.431 -1.537 18521 19216 1 20 . 1 1 135 135 TRP H H 135 7.727 7.727 7.467 0.260 18521 19217 1 20 . 1 1 136 136 LYS N N 136 119.841 119.841 120.540 -0.699 18521 19218 1 20 . 1 1 136 136 LYS HA H 136 3.830 3.830 4.049 -0.219 18521 19219 1 20 . 1 1 136 136 LYS C C 136 178.330 178.330 178.799 -0.469 18521 19220 1 20 . 1 1 136 136 LYS CA C 136 60.194 60.194 60.165 0.029 18521 19221 1 20 . 1 1 136 136 LYS CB C 136 32.902 32.902 32.477 0.425 18521 19222 1 20 . 1 1 136 136 LYS H H 136 6.580 6.580 7.826 -1.246 18521 19223 1 20 . 1 1 137 137 GLU N N 137 115.250 115.250 116.002 -0.752 18521 19224 1 20 . 1 1 137 137 GLU HA H 137 4.177 4.177 4.144 0.033 18521 19225 1 20 . 1 1 137 137 GLU C C 137 176.698 176.698 177.096 -0.398 18521 19226 1 20 . 1 1 137 137 GLU CA C 137 57.766 57.766 58.354 -0.588 18521 19227 1 20 . 1 1 137 137 GLU CB C 137 29.221 29.221 29.330 -0.109 18521 19228 1 20 . 1 1 137 137 GLU H H 137 8.549 8.549 8.753 -0.204 18521 19229 1 20 . 1 1 138 138 ASN N N 138 116.578 116.578 115.604 0.974 18521 19230 1 20 . 1 1 138 138 ASN HA H 138 4.943 4.943 4.738 0.205 18521 19231 1 20 . 1 1 138 138 ASN C C 138 173.448 173.448 174.448 -1.000 18521 19232 1 20 . 1 1 138 138 ASN CA C 138 52.681 52.681 53.441 -0.760 18521 19233 1 20 . 1 1 138 138 ASN CB C 138 40.833 40.833 39.609 1.224 18521 19234 1 20 . 1 1 138 138 ASN H H 138 8.337 8.337 7.670 0.667 18521 19235 1 20 . 1 1 139 139 ILE N N 139 120.835 120.835 120.631 0.204 18521 19236 1 20 . 1 1 139 139 ILE HA H 139 4.339 4.339 4.294 0.045 18521 19237 1 20 . 1 1 139 139 ILE C C 139 175.219 175.219 175.253 -0.034 18521 19238 1 20 . 1 1 139 139 ILE CA C 139 60.867 60.867 60.726 0.141 18521 19239 1 20 . 1 1 139 139 ILE CB C 139 40.270 40.270 39.810 0.459 18521 19240 1 20 . 1 1 139 139 ILE H H 139 7.138 7.138 7.260 -0.122 18521 19241 1 20 . 1 1 140 140 MET N N 140 123.319 123.319 122.466 0.853 18521 19242 1 20 . 1 1 140 140 MET HA H 140 4.324 4.324 4.517 -0.193 18521 19243 1 20 . 1 1 140 140 MET C C 140 177.931 177.931 177.339 0.592 18521 19244 1 20 . 1 1 140 140 MET CA C 140 58.511 58.511 55.075 3.436 18521 19245 1 20 . 1 1 140 140 MET CB C 140 65.156 65.156 64.278 0.878 18521 19246 1 20 . 1 1 140 140 MET H H 140 8.714 8.714 8.340 0.374 18521 19247 1 20 . 1 1 141 141 LEU N N 141 120.610 120.610 124.158 -3.548 18521 19248 1 20 . 1 1 141 141 LEU HA H 141 4.047 4.047 4.036 0.011 18521 19249 1 20 . 1 1 141 141 LEU C C 141 177.281 177.281 179.006 -1.725 18521 19250 1 20 . 1 1 141 141 LEU CA C 141 58.362 58.362 58.414 -0.053 18521 19251 1 20 . 1 1 141 141 LEU H H 141 8.333 8.333 8.923 -0.590 18521 19252 1 20 . 1 1 142 142 ASP N N 142 121.268 121.268 120.732 0.536 18521 19253 1 20 . 1 1 142 142 ASP HA H 142 4.415 4.415 4.553 -0.138 18521 19254 1 20 . 1 1 142 142 ASP C C 142 175.916 175.916 177.988 -2.072 18521 19255 1 20 . 1 1 142 142 ASP CA C 142 54.678 54.678 58.551 -3.873 18521 19256 1 20 . 1 1 142 142 ASP CB C 142 68.329 68.329 68.659 -0.330 18521 19257 1 20 . 1 1 142 142 ASP H H 142 8.199 8.199 8.323 -0.124 18521 19258 1 20 . 1 1 143 143 LEU N N 143 120.218 120.218 122.068 -1.850 18521 19259 1 20 . 1 1 143 143 LEU HA H 143 4.108 4.108 4.088 0.020 18521 19260 1 20 . 1 1 143 143 LEU C C 143 176.205 176.205 178.892 -2.687 18521 19261 1 20 . 1 1 143 143 LEU CA C 143 57.314 57.314 58.309 -0.994 18521 19262 1 20 . 1 1 143 143 LEU CB C 143 39.700 39.700 41.051 -1.351 18521 19263 1 20 . 1 1 143 143 LEU H H 143 7.858 7.858 8.095 -0.237 18521 19264 1 20 . 1 1 144 144 ILE N N 144 121.582 121.582 125.699 -4.117 18521 19265 1 20 . 1 1 144 144 ILE HA H 144 4.083 4.083 3.779 0.304 18521 19266 1 20 . 1 1 144 144 ILE C C 144 177.130 177.130 177.911 -0.781 18521 19267 1 20 . 1 1 144 144 ILE CA C 144 60.697 60.697 66.681 -5.984 18521 19268 1 20 . 1 1 144 144 ILE CB C 144 38.565 38.565 37.439 1.126 18521 19269 1 20 . 1 1 144 144 ILE H H 144 7.948 7.948 8.083 -0.135 18521 19270 1 20 . 1 1 145 145 GLU N N 145 120.974 120.974 122.047 -1.073 18521 19271 1 20 . 1 1 145 145 GLU HA H 145 4.049 4.049 4.195 -0.146 18521 19272 1 20 . 1 1 145 145 GLU C C 145 179.664 179.664 178.989 0.675 18521 19273 1 20 . 1 1 145 145 GLU CA C 145 59.673 59.673 59.657 0.016 18521 19274 1 20 . 1 1 145 145 GLU CB C 145 29.521 29.521 29.574 -0.053 18521 19275 1 20 . 1 1 145 145 GLU H H 145 7.869 7.869 7.862 0.007 18521 19276 1 20 . 1 1 146 146 GLN N N 146 118.520 118.520 121.151 -2.631 18521 19277 1 20 . 1 1 146 146 GLN HA H 146 4.034 4.034 3.961 0.073 18521 19278 1 20 . 1 1 146 146 GLN C C 146 178.820 178.820 177.562 1.258 18521 19279 1 20 . 1 1 146 146 GLN CA C 146 58.720 58.720 59.826 -1.106 18521 19280 1 20 . 1 1 146 146 GLN CB C 146 29.312 29.312 28.607 0.706 18521 19281 1 20 . 1 1 146 146 GLN H H 146 8.407 8.407 7.509 0.898 18521 19282 1 20 . 1 1 147 147 GLY N N 147 108.998 108.998 109.617 -0.619 18521 19283 1 20 . 1 1 147 147 GLY HA H 147 3.471 3.471 3.698 -0.227 18521 19284 1 20 . 1 1 147 147 GLY C C 147 175.794 175.794 176.409 -0.615 18521 19285 1 20 . 1 1 147 147 GLY CA C 147 47.525 47.525 48.102 -0.577 18521 19286 1 20 . 1 1 147 147 GLY CB C 147 41.801 41.801 41.483 0.319 18521 19287 1 20 . 1 1 147 147 GLY H H 147 8.059 8.059 7.542 0.517 18521 19288 1 20 . 1 1 148 148 ASP N N 148 124.022 124.022 118.671 5.351 18521 19289 1 20 . 1 1 148 148 ASP HA H 148 4.342 4.342 4.127 0.215 18521 19290 1 20 . 1 1 148 148 ASP C C 148 175.607 175.607 178.509 -2.902 18521 19291 1 20 . 1 1 148 148 ASP CA C 148 57.252 57.252 57.400 -0.148 18521 19292 1 20 . 1 1 148 148 ASP CB C 148 39.918 39.918 40.369 -0.451 18521 19293 1 20 . 1 1 148 148 ASP H H 148 8.522 8.522 8.301 0.221 18521 19294 1 20 . 1 1 149 149 GLU N N 149 121.333 121.333 119.913 1.420 18521 19295 1 20 . 1 1 149 149 GLU HA H 149 4.008 4.008 3.949 0.059 18521 19296 1 20 . 1 1 149 149 GLU C C 149 175.652 175.652 178.731 -3.079 18521 19297 1 20 . 1 1 149 149 GLU CA C 149 59.394 59.394 59.594 -0.200 18521 19298 1 20 . 1 1 149 149 GLU CB C 149 32.048 32.048 32.233 -0.185 18521 19299 1 20 . 1 1 149 149 GLU H H 149 7.768 7.768 7.987 -0.219 18521 19300 1 20 . 1 1 150 150 LEU N N 150 120.820 120.820 119.102 1.718 18521 19301 1 20 . 1 1 150 150 LEU HA H 150 3.718 3.718 4.002 -0.284 18521 19302 1 20 . 1 1 150 150 LEU C C 150 179.476 179.476 179.491 -0.015 18521 19303 1 20 . 1 1 150 150 LEU CA C 150 57.656 57.656 57.838 -0.182 18521 19304 1 20 . 1 1 150 150 LEU CB C 150 28.936 28.936 29.488 -0.552 18521 19305 1 20 . 1 1 150 150 LEU H H 150 8.113 8.113 7.221 0.892 18521 19306 1 20 . 1 1 151 151 GLN N N 151 118.698 118.698 119.355 -0.657 18521 19307 1 20 . 1 1 151 151 GLN HA H 151 3.990 3.990 3.686 0.304 18521 19308 1 20 . 1 1 151 151 GLN C C 151 178.418 178.418 177.379 1.039 18521 19309 1 20 . 1 1 151 151 GLN CA C 151 58.570 58.570 59.867 -1.296 18521 19310 1 20 . 1 1 151 151 GLN CB C 151 38.409 38.409 37.487 0.922 18521 19311 1 20 . 1 1 151 151 GLN H H 151 8.282 8.282 7.526 0.756 18521 19312 1 20 . 1 1 152 152 GLU N N 152 120.750 120.750 120.033 0.717 18521 19313 1 20 . 1 1 152 152 GLU HA H 152 4.035 4.035 3.977 0.058 18521 19314 1 20 . 1 1 152 152 GLU C C 152 178.916 178.916 178.889 0.027 18521 19315 1 20 . 1 1 152 152 GLU CA C 152 59.223 59.223 59.360 -0.137 18521 19316 1 20 . 1 1 152 152 GLU CB C 152 29.322 29.322 29.197 0.126 18521 19317 1 20 . 1 1 152 152 GLU H H 152 7.499 7.499 8.328 -0.829 18521 19318 1 20 . 1 1 153 153 VAL N N 153 120.317 120.317 120.502 -0.185 18521 19319 1 20 . 1 1 153 153 VAL HA H 153 3.695 3.695 3.804 -0.109 18521 19320 1 20 . 1 1 153 153 VAL C C 153 178.846 178.846 178.318 0.528 18521 19321 1 20 . 1 1 153 153 VAL CA C 153 65.832 65.832 66.536 -0.704 18521 19322 1 20 . 1 1 153 153 VAL CB C 153 31.921 31.921 31.727 0.194 18521 19323 1 20 . 1 1 153 153 VAL H H 153 7.763 7.763 8.419 -0.656 18521 19324 1 20 . 1 1 154 154 LEU N N 154 121.374 121.374 119.652 1.722 18521 19325 1 20 . 1 1 154 154 LEU HA H 154 3.917 3.917 3.844 0.073 18521 19326 1 20 . 1 1 154 154 LEU C C 154 178.836 178.836 178.325 0.511 18521 19327 1 20 . 1 1 154 154 LEU CA C 154 57.439 57.439 60.613 -3.174 18521 19328 1 20 . 1 1 154 154 LEU CB C 154 41.797 41.797 42.042 -0.245 18521 19329 1 20 . 1 1 154 154 LEU H H 154 7.731 7.731 8.080 -0.349 18521 19330 1 20 . 1 1 155 155 ALA N N 155 121.695 121.695 123.876 -2.181 18521 19331 1 20 . 1 1 155 155 ALA HA H 155 4.145 4.145 3.808 0.337 18521 19332 1 20 . 1 1 155 155 ALA C C 155 179.502 179.502 179.743 -0.241 18521 19333 1 20 . 1 1 155 155 ALA CA C 155 54.175 54.175 55.435 -1.260 18521 19334 1 20 . 1 1 155 155 ALA CB C 155 18.499 18.499 18.665 -0.166 18521 19335 1 20 . 1 1 155 155 ALA H H 155 7.896 7.896 7.775 0.121 18521 19336 1 20 . 1 1 156 156 MET N N 156 117.652 117.652 118.828 -1.176 18521 19337 1 20 . 1 1 156 156 MET HA H 156 4.228 4.228 3.904 0.324 18521 19338 1 20 . 1 1 156 156 MET C C 156 177.366 177.366 178.195 -0.829 18521 19339 1 20 . 1 1 156 156 MET CA C 156 57.306 57.306 59.309 -2.002 18521 19340 1 20 . 1 1 156 156 MET CB C 156 32.373 32.373 32.543 -0.170 18521 19341 1 20 . 1 1 156 156 MET H H 156 7.778 7.778 8.282 -0.504 18521 19342 1 20 . 1 1 157 157 ASN N N 157 117.853 117.853 117.172 0.681 18521 19343 1 20 . 1 1 157 157 ASN HA H 157 4.588 4.588 4.163 0.425 18521 19344 1 20 . 1 1 157 157 ASN C C 157 175.211 175.211 177.715 -2.504 18521 19345 1 20 . 1 1 157 157 ASN CA C 157 54.068 54.068 57.186 -3.118 18521 19346 1 20 . 1 1 157 157 ASN CB C 157 39.125 39.125 38.256 0.869 18521 19347 1 20 . 1 1 157 157 ASN H H 157 8.009 8.009 8.456 -0.447 18521 19348 1 20 . 1 1 158 158 ASN N N 158 117.684 117.684 117.379 0.305 18521 19349 1 20 . 1 1 158 158 ASN HA H 158 4.612 4.612 4.297 0.315 18521 19350 1 20 . 1 1 158 158 ASN C C 158 174.669 174.669 177.173 -2.504 18521 19351 1 20 . 1 1 158 158 ASN CA C 158 53.554 53.554 56.094 -2.540 18521 19352 1 20 . 1 1 158 158 ASN CB C 158 39.343 39.343 38.034 1.309 18521 19353 1 20 . 1 1 158 158 ASN H H 158 7.951 7.951 8.804 -0.853 18521 19354 1 20 . 1 1 159 159 ASN N N 159 119.399 119.399 116.973 2.426 18521 19355 1 20 . 1 1 159 159 ASN HA H 159 4.583 4.583 4.373 0.210 18521 19356 1 20 . 1 1 159 159 ASN C C 159 175.563 175.563 177.460 -1.897 18521 19357 1 20 . 1 1 159 159 ASN CA C 159 53.901 53.901 56.812 -2.910 18521 19358 1 20 . 1 1 159 159 ASN CB C 159 38.425 38.425 38.119 0.306 18521 19359 1 20 . 1 1 159 159 ASN H H 159 8.319 8.319 7.610 0.709 18521 19360 1 20 . 1 1 160 160 SER N N 160 115.453 115.453 117.229 -1.776 18521 19361 1 20 . 1 1 160 160 SER HA H 160 4.324 4.324 4.063 0.261 18521 19362 1 20 . 1 1 160 160 SER C C 160 174.952 174.952 176.978 -2.026 18521 19363 1 20 . 1 1 160 160 SER CA C 160 58.851 58.851 61.326 -2.475 18521 19364 1 20 . 1 1 160 160 SER CB C 160 63.704 63.704 62.963 0.741 18521 19365 1 20 . 1 1 160 160 SER H H 160 8.297 8.297 7.443 0.854 18521 19366 1 20 . 1 1 161 161 GLY N N 161 110.851 110.851 106.689 4.162 18521 19367 1 20 . 1 1 161 161 GLY HA H 161 4.146 4.146 4.076 0.070 18521 19368 1 20 . 1 1 161 161 GLY C C 161 173.974 173.974 177.775 -3.801 18521 19369 1 20 . 1 1 161 161 GLY CA C 161 45.348 45.348 48.138 -2.789 18521 19370 1 20 . 1 1 161 161 GLY CB C 161 42.245 42.245 41.779 0.466 18521 19371 1 20 . 1 1 161 161 GLY H H 161 8.328 8.328 8.351 -0.023 18521 19372 1 20 . 1 1 162 162 GLU N N 162 120.859 120.859 119.158 1.701 18521 19373 1 20 . 1 1 162 162 GLU HA H 162 4.211 4.211 4.203 0.008 18521 19374 1 20 . 1 1 162 162 GLU C C 162 177.522 177.522 177.701 -0.179 18521 19375 1 20 . 1 1 162 162 GLU CA C 162 56.065 56.065 59.001 -2.936 18521 19376 1 20 . 1 1 162 162 GLU CB C 162 29.852 29.852 29.178 0.674 18521 19377 1 20 . 1 1 162 162 GLU H H 162 8.244 8.244 7.894 0.350 18521 19378 1 20 . 1 1 163 163 LEU N N 163 124.226 124.226 117.583 6.643 18521 19379 1 20 . 1 1 163 163 LEU HA H 163 3.889 3.889 4.352 -0.463 18521 19380 1 20 . 1 1 163 163 LEU C C 163 178.043 178.043 176.781 1.262 18521 19381 1 20 . 1 1 163 163 LEU CA C 163 57.163 57.163 54.443 2.720 18521 19382 1 20 . 1 1 163 163 LEU CB C 163 41.840 41.840 42.191 -0.351 18521 19383 1 20 . 1 1 163 163 LEU H H 163 8.337 8.337 7.668 0.669 18521 19384 1 20 . 1 1 164 164 ASP N N 164 116.994 116.994 119.189 -2.195 18521 19385 1 20 . 1 1 164 164 ASP HA H 164 4.327 4.327 4.268 0.059 18521 19386 1 20 . 1 1 164 164 ASP C C 164 176.423 176.423 176.836 -0.413 18521 19387 1 20 . 1 1 164 164 ASP CA C 164 55.427 55.427 54.727 0.700 18521 19388 1 20 . 1 1 164 164 ASP H H 164 8.188 8.188 7.683 0.505 18521 19389 1 20 . 1 1 165 165 ASP N N 165 118.967 118.967 119.279 -0.312 18521 19390 1 20 . 1 1 165 165 ASP HA H 165 4.443 4.443 4.398 0.045 18521 19391 1 20 . 1 1 165 165 ASP C C 165 175.654 175.654 176.169 -0.515 18521 19392 1 20 . 1 1 165 165 ASP CA C 165 54.707 54.707 55.086 -0.379 18521 19393 1 20 . 1 1 165 165 ASP CB C 165 40.973 40.973 41.317 -0.344 18521 19394 1 20 . 1 1 165 165 ASP H H 165 7.701 7.701 7.986 -0.285 18521 19395 1 20 . 1 1 166 166 ILE N N 166 122.002 122.002 119.425 2.577 18521 19396 1 20 . 1 1 166 166 ILE HA H 166 4.049 4.049 4.022 0.027 18521 19397 1 20 . 1 1 166 166 ILE C C 166 175.180 175.180 175.099 0.081 18521 19398 1 20 . 1 1 166 166 ILE CA C 166 60.396 60.396 59.709 0.688 18521 19399 1 20 . 1 1 166 166 ILE CB C 166 39.185 39.185 37.706 1.479 18521 19400 1 20 . 1 1 166 166 ILE H H 166 7.388 7.388 7.232 0.156 18521 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 195 2.221 -0.644 2.131 18521 2 1 1 "Average Difference" HA 206 0.291 -0.012 0.292 18521 3 1 1 "Average Difference" C 194 1.130 0.028 1.132 18521 4 1 1 "Average Difference" CA 199 1.284 0.198 1.272 18521 5 1 1 "Average Difference" CB 177 0.974 -0.067 0.975 18521 6 1 1 "Average Difference" HN 196 0.510 -0.104 0.500 18521 7 1 2 "Average Difference" N 195 2.191 -0.569 2.122 18521 8 1 2 "Average Difference" HA 206 0.269 -0.006 0.269 18521 9 1 2 "Average Difference" C 194 1.114 0.053 1.115 18521 10 1 2 "Average Difference" CA 199 1.318 0.231 1.301 18521 11 1 2 "Average Difference" CB 177 0.975 -0.091 0.973 18521 12 1 2 "Average Difference" HN 196 0.493 -0.085 0.487 18521 13 1 3 "Average Difference" N 195 2.214 -0.596 2.138 18521 14 1 3 "Average Difference" HA 206 0.281 -0.010 0.281 18521 15 1 3 "Average Difference" C 194 1.133 0.034 1.135 18521 16 1 3 "Average Difference" CA 199 1.294 0.193 1.283 18521 17 1 3 "Average Difference" CB 177 0.975 -0.069 0.976 18521 18 1 3 "Average Difference" HN 196 0.521 -0.086 0.515 18521 19 1 4 "Average Difference" N 195 2.206 -0.623 2.122 18521 20 1 4 "Average Difference" HA 206 0.257 -0.005 0.258 18521 21 1 4 "Average Difference" C 194 1.125 0.064 1.126 18521 22 1 4 "Average Difference" CA 199 1.297 0.191 1.286 18521 23 1 4 "Average Difference" CB 177 0.979 -0.088 0.978 18521 24 1 4 "Average Difference" HN 196 0.504 -0.103 0.495 18521 25 1 5 "Average Difference" N 195 2.212 -0.593 2.136 18521 26 1 5 "Average Difference" HA 206 0.243 -0.001 0.244 18521 27 1 5 "Average Difference" C 194 1.112 0.064 1.113 18521 28 1 5 "Average Difference" CA 199 1.298 0.180 1.289 18521 29 1 5 "Average Difference" CB 177 1.000 -0.097 0.998 18521 30 1 5 "Average Difference" HN 196 0.512 -0.084 0.506 18521 31 1 6 "Average Difference" N 195 2.256 -0.675 2.158 18521 32 1 6 "Average Difference" HA 206 0.291 -0.016 0.291 18521 33 1 6 "Average Difference" C 194 1.131 0.028 1.133 18521 34 1 6 "Average Difference" CA 199 1.295 0.165 1.288 18521 35 1 6 "Average Difference" CB 177 0.990 -0.061 0.991 18521 36 1 6 "Average Difference" HN 196 0.519 -0.105 0.510 18521 37 1 7 "Average Difference" N 195 2.238 -0.615 2.157 18521 38 1 7 "Average Difference" HA 206 0.255 -0.008 0.255 18521 39 1 7 "Average Difference" C 194 1.104 0.080 1.104 18521 40 1 7 "Average Difference" CA 199 1.355 0.198 1.344 18521 41 1 7 "Average Difference" CB 177 1.007 -0.099 1.005 18521 42 1 7 "Average Difference" HN 196 0.524 -0.085 0.518 18521 43 1 8 "Average Difference" N 195 2.171 -0.625 2.085 18521 44 1 8 "Average Difference" HA 206 0.296 -0.013 0.296 18521 45 1 8 "Average Difference" C 194 1.134 0.060 1.135 18521 46 1 8 "Average Difference" CA 199 1.263 0.151 1.257 18521 47 1 8 "Average Difference" CB 177 0.986 -0.074 0.986 18521 48 1 8 "Average Difference" HN 196 0.503 -0.104 0.494 18521 49 1 9 "Average Difference" N 195 2.253 -0.612 2.173 18521 50 1 9 "Average Difference" HA 206 0.299 -0.016 0.299 18521 51 1 9 "Average Difference" C 194 1.114 0.038 1.117 18521 52 1 9 "Average Difference" CA 199 1.307 0.182 1.298 18521 53 1 9 "Average Difference" CB 177 0.988 -0.059 0.989 18521 54 1 9 "Average Difference" HN 196 0.510 -0.089 0.503 18521 55 1 10 "Average Difference" N 195 2.265 -0.652 2.175 18521 56 1 10 "Average Difference" HA 206 0.249 0.001 0.250 18521 57 1 10 "Average Difference" C 194 1.114 0.027 1.117 18521 58 1 10 "Average Difference" CA 199 1.305 0.180 1.296 18521 59 1 10 "Average Difference" CB 177 0.989 -0.067 0.990 18521 60 1 10 "Average Difference" HN 196 0.529 -0.100 0.520 18521 61 1 11 "Average Difference" N 195 2.235 -0.574 2.165 18521 62 1 11 "Average Difference" HA 206 0.294 -0.013 0.294 18521 63 1 11 "Average Difference" C 194 1.141 0.060 1.142 18521 64 1 11 "Average Difference" CA 199 1.273 0.172 1.265 18521 65 1 11 "Average Difference" CB 177 1.019 -0.091 1.018 18521 66 1 11 "Average Difference" HN 196 0.514 -0.081 0.508 18521 67 1 12 "Average Difference" N 195 2.193 -0.576 2.122 18521 68 1 12 "Average Difference" HA 206 0.255 0.003 0.256 18521 69 1 12 "Average Difference" C 194 1.129 0.066 1.130 18521 70 1 12 "Average Difference" CA 199 1.315 0.213 1.301 18521 71 1 12 "Average Difference" CB 177 0.974 -0.055 0.975 18521 72 1 12 "Average Difference" HN 196 0.494 -0.089 0.487 18521 73 1 13 "Average Difference" N 195 2.239 -0.604 2.162 18521 74 1 13 "Average Difference" HA 206 0.284 -0.012 0.284 18521 75 1 13 "Average Difference" C 194 1.123 0.046 1.125 18521 76 1 13 "Average Difference" CA 199 1.334 0.168 1.327 18521 77 1 13 "Average Difference" CB 177 0.982 -0.117 0.978 18521 78 1 13 "Average Difference" HN 196 0.521 -0.093 0.514 18521 79 1 14 "Average Difference" N 195 2.257 -0.591 2.184 18521 80 1 14 "Average Difference" HA 206 0.253 0.008 0.253 18521 81 1 14 "Average Difference" C 194 1.135 0.066 1.136 18521 82 1 14 "Average Difference" CA 199 1.369 0.174 1.361 18521 83 1 14 "Average Difference" CB 177 0.984 -0.069 0.984 18521 84 1 14 "Average Difference" HN 196 0.511 -0.072 0.507 18521 85 1 15 "Average Difference" N 195 2.170 -0.541 2.107 18521 86 1 15 "Average Difference" HA 206 0.288 -0.012 0.289 18521 87 1 15 "Average Difference" C 194 1.142 0.066 1.143 18521 88 1 15 "Average Difference" CA 199 1.289 0.178 1.280 18521 89 1 15 "Average Difference" CB 177 0.966 -0.088 0.965 18521 90 1 15 "Average Difference" HN 196 0.514 -0.053 0.512 18521 91 1 16 "Average Difference" N 195 2.154 -0.532 2.093 18521 92 1 16 "Average Difference" HA 206 0.275 -0.008 0.276 18521 93 1 16 "Average Difference" C 194 1.130 0.054 1.131 18521 94 1 16 "Average Difference" CA 199 1.302 0.194 1.291 18521 95 1 16 "Average Difference" CB 177 0.988 -0.087 0.987 18521 96 1 16 "Average Difference" HN 196 0.516 -0.088 0.510 18521 97 1 17 "Average Difference" N 195 2.269 -0.628 2.186 18521 98 1 17 "Average Difference" HA 206 0.267 0.001 0.268 18521 99 1 17 "Average Difference" C 194 1.113 0.081 1.113 18521 100 1 17 "Average Difference" CA 199 1.263 0.157 1.256 18521 101 1 17 "Average Difference" CB 177 0.997 -0.083 0.996 18521 102 1 17 "Average Difference" HN 196 0.513 -0.104 0.504 18521 103 1 18 "Average Difference" N 195 2.229 -0.597 2.153 18521 104 1 18 "Average Difference" HA 206 0.243 0.002 0.244 18521 105 1 18 "Average Difference" C 194 1.135 0.046 1.137 18521 106 1 18 "Average Difference" CA 199 1.336 0.171 1.328 18521 107 1 18 "Average Difference" CB 177 0.985 -0.099 0.983 18521 108 1 18 "Average Difference" HN 196 0.496 -0.084 0.490 18521 109 1 19 "Average Difference" N 195 2.259 -0.662 2.166 18521 110 1 19 "Average Difference" HA 206 0.296 -0.009 0.297 18521 111 1 19 "Average Difference" C 194 1.149 0.054 1.151 18521 112 1 19 "Average Difference" CA 199 1.262 0.140 1.257 18521 113 1 19 "Average Difference" CB 177 1.007 -0.101 1.004 18521 114 1 19 "Average Difference" HN 196 0.530 -0.093 0.523 18521 115 1 20 "Average Difference" N 195 2.220 -0.564 2.152 18521 116 1 20 "Average Difference" HA 206 0.284 -0.015 0.284 18521 117 1 20 "Average Difference" C 194 1.142 0.070 1.143 18521 118 1 20 "Average Difference" CA 199 1.398 0.268 1.375 18521 119 1 20 "Average Difference" CB 177 0.989 -0.063 0.990 18521 120 1 20 "Average Difference" HN 196 0.498 -0.081 0.493 18521 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 18521 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 ALA N N 2 122.445 122.445 123.835 -1.390 18521 2 1 . 1 1 2 2 ALA HA H 2 4.045 4.045 4.077 -0.032 18521 3 1 . 1 1 2 2 ALA C C 2 179.992 179.992 179.038 0.954 18521 4 1 . 1 1 2 2 ALA CA C 2 55.140 55.140 54.861 0.279 18521 5 1 . 1 1 2 2 ALA CB C 2 18.482 18.482 18.220 0.262 18521 6 1 . 1 1 2 2 ALA H H 2 8.545 8.545 8.556 -0.011 18521 7 1 . 1 1 3 3 SER N N 3 115.544 115.544 113.518 2.026 18521 8 1 . 1 1 3 3 SER HA H 3 4.030 4.030 4.128 -0.098 18521 9 1 . 1 1 3 3 SER C C 3 176.584 176.584 176.538 0.046 18521 10 1 . 1 1 3 3 SER CA C 3 60.748 60.748 61.273 -0.525 18521 11 1 . 1 1 3 3 SER CB C 3 62.416 62.416 62.568 -0.152 18521 12 1 . 1 1 3 3 SER H H 3 8.009 8.009 8.419 -0.410 18521 13 1 . 1 1 4 4 ASN N N 4 123.103 123.103 119.827 3.276 18521 14 1 . 1 1 4 4 ASN HA H 4 4.318 4.318 4.456 -0.138 18521 15 1 . 1 1 4 4 ASN C C 4 176.215 176.215 177.035 -0.820 18521 16 1 . 1 1 4 4 ASN CA C 4 55.580 55.580 55.937 -0.357 18521 17 1 . 1 1 4 4 ASN CB C 4 38.154 38.154 38.045 0.109 18521 18 1 . 1 1 4 4 ASN H H 4 7.965 7.965 7.720 0.245 18521 19 1 . 1 1 5 5 ALA N N 5 122.314 122.314 122.305 0.009 18521 20 1 . 1 1 5 5 ALA HA H 5 3.560 3.560 3.868 -0.308 18521 21 1 . 1 1 5 5 ALA C C 5 178.543 178.543 178.892 -0.349 18521 22 1 . 1 1 5 5 ALA CA C 5 55.774 55.774 55.122 0.652 18521 23 1 . 1 1 5 5 ALA CB C 5 17.638 17.638 18.141 -0.503 18521 24 1 . 1 1 5 5 ALA H H 5 8.721 8.721 7.485 1.236 18521 25 1 . 1 1 6 6 ALA N N 6 117.886 117.886 121.461 -3.575 18521 26 1 . 1 1 6 6 ALA HA H 6 3.784 3.784 3.991 -0.207 18521 27 1 . 1 1 6 6 ALA C C 6 180.378 180.378 179.440 0.938 18521 28 1 . 1 1 6 6 ALA CA C 6 55.240 55.240 54.995 0.245 18521 29 1 . 1 1 6 6 ALA CB C 6 17.890 17.890 18.017 -0.127 18521 30 1 . 1 1 6 6 ALA H H 6 7.891 7.891 7.420 0.471 18521 31 1 . 1 1 7 7 ARG N N 7 120.992 120.992 119.332 1.660 18521 32 1 . 1 1 7 7 ARG HA H 7 3.770 3.770 4.031 -0.261 18521 33 1 . 1 1 7 7 ARG C C 7 179.531 179.531 178.594 0.937 18521 34 1 . 1 1 7 7 ARG CA C 7 59.249 59.249 59.417 -0.168 18521 35 1 . 1 1 7 7 ARG CB C 7 29.546 29.546 30.378 -0.832 18521 36 1 . 1 1 7 7 ARG H H 7 7.503 7.503 7.819 -0.316 18521 37 1 . 1 1 8 8 VAL N N 8 123.707 123.707 119.671 4.036 18521 38 1 . 1 1 8 8 VAL HA H 8 3.285 3.285 3.774 -0.489 18521 39 1 . 1 1 8 8 VAL C C 8 177.740 177.740 178.126 -0.387 18521 40 1 . 1 1 8 8 VAL CA C 8 67.839 67.839 66.665 1.174 18521 41 1 . 1 1 8 8 VAL CB C 8 31.516 31.516 31.410 0.106 18521 42 1 . 1 1 8 8 VAL H H 8 8.176 8.176 8.090 0.086 18521 43 1 . 1 1 9 9 VAL N N 9 119.893 119.893 120.352 -0.459 18521 44 1 . 1 1 9 9 VAL HA H 9 3.286 3.286 3.542 -0.256 18521 45 1 . 1 1 9 9 VAL C C 9 177.535 177.535 177.955 -0.420 18521 46 1 . 1 1 9 9 VAL CA C 9 67.549 67.549 66.821 0.728 18521 47 1 . 1 1 9 9 VAL CB C 9 31.683 31.683 31.041 0.642 18521 48 1 . 1 1 9 9 VAL H H 9 8.329 8.329 7.763 0.566 18521 49 1 . 1 1 10 10 ALA N N 10 122.541 122.541 121.603 0.938 18521 50 1 . 1 1 10 10 ALA HA H 10 3.971 3.971 4.077 -0.106 18521 51 1 . 1 1 10 10 ALA C C 10 177.093 177.093 179.721 -2.628 18521 52 1 . 1 1 10 10 ALA CA C 10 55.448 55.448 55.494 -0.046 18521 53 1 . 1 1 10 10 ALA CB C 10 17.791 17.791 18.351 -0.559 18521 54 1 . 1 1 10 10 ALA H H 10 7.802 7.802 8.301 -0.499 18521 55 1 . 1 1 11 11 THR N N 11 116.946 116.946 115.729 1.217 18521 56 1 . 1 1 11 11 THR HA H 11 3.821 3.821 3.978 -0.157 18521 57 1 . 1 1 11 11 THR C C 11 175.702 175.702 176.633 -0.931 18521 58 1 . 1 1 11 11 THR CA C 11 66.531 66.531 66.871 -0.340 18521 59 1 . 1 1 11 11 THR CB C 11 68.493 68.493 68.618 -0.125 18521 60 1 . 1 1 11 11 THR H H 11 8.187 8.187 8.534 -0.347 18521 61 1 . 1 1 12 12 ALA N N 12 125.357 125.357 124.069 1.288 18521 62 1 . 1 1 12 12 ALA HA H 12 4.003 4.003 4.081 -0.078 18521 63 1 . 1 1 12 12 ALA C C 12 179.401 179.401 179.351 0.050 18521 64 1 . 1 1 12 12 ALA CA C 12 56.083 56.083 55.321 0.762 18521 65 1 . 1 1 12 12 ALA CB C 12 18.855 18.855 18.227 0.628 18521 66 1 . 1 1 12 12 ALA H H 12 8.641 8.641 8.347 0.294 18521 67 1 . 1 1 13 13 LYS N N 13 117.246 117.246 117.208 0.038 18521 68 1 . 1 1 13 13 LYS HA H 13 3.964 3.964 4.107 -0.143 18521 69 1 . 1 1 13 13 LYS C C 13 180.132 180.132 178.365 1.767 18521 70 1 . 1 1 13 13 LYS CA C 13 58.991 58.991 59.293 -0.302 18521 71 1 . 1 1 13 13 LYS CB C 13 32.014 32.014 32.034 -0.020 18521 72 1 . 1 1 13 13 LYS H H 13 7.961 7.961 7.672 0.289 18521 73 1 . 1 1 14 14 ASP N N 14 122.162 122.162 119.703 2.459 18521 74 1 . 1 1 14 14 ASP HA H 14 4.355 4.355 4.402 -0.047 18521 75 1 . 1 1 14 14 ASP C C 14 179.394 179.394 178.317 1.077 18521 76 1 . 1 1 14 14 ASP CA C 14 57.524 57.524 56.894 0.630 18521 77 1 . 1 1 14 14 ASP CB C 14 39.984 39.984 40.390 -0.406 18521 78 1 . 1 1 14 14 ASP H H 14 7.702 7.702 7.744 -0.042 18521 79 1 . 1 1 15 15 PHE N N 15 119.552 119.552 118.008 1.544 18521 80 1 . 1 1 15 15 PHE HA H 15 4.307 4.307 4.213 0.094 18521 81 1 . 1 1 15 15 PHE C C 15 178.383 178.383 177.874 0.509 18521 82 1 . 1 1 15 15 PHE CA C 15 62.313 62.313 61.513 0.800 18521 83 1 . 1 1 15 15 PHE CB C 15 37.340 37.340 38.838 -1.498 18521 84 1 . 1 1 15 15 PHE H H 15 7.970 7.970 7.591 0.379 18521 85 1 . 1 1 16 16 ASP N N 16 121.464 121.464 119.621 1.843 18521 86 1 . 1 1 16 16 ASP HA H 16 4.016 4.016 4.459 -0.443 18521 87 1 . 1 1 16 16 ASP C C 16 179.923 179.923 179.253 0.670 18521 88 1 . 1 1 16 16 ASP CA C 16 58.030 58.030 57.321 0.709 18521 89 1 . 1 1 16 16 ASP CB C 16 41.407 41.407 40.324 1.083 18521 90 1 . 1 1 16 16 ASP H H 16 8.259 8.259 7.832 0.428 18521 91 1 . 1 1 17 17 LYS N N 17 118.806 118.806 120.385 -1.578 18521 92 1 . 1 1 17 17 LYS HA H 17 4.047 4.047 4.122 -0.075 18521 93 1 . 1 1 17 17 LYS C C 17 178.432 178.432 177.865 0.567 18521 94 1 . 1 1 17 17 LYS CA C 17 59.018 59.018 59.023 -0.005 18521 95 1 . 1 1 17 17 LYS CB C 17 32.592 32.592 32.646 -0.054 18521 96 1 . 1 1 17 17 LYS H H 17 7.842 7.842 7.690 0.152 18521 97 1 . 1 1 18 18 VAL N N 18 110.416 110.416 117.156 -6.740 18521 98 1 . 1 1 18 18 VAL HA H 18 4.523 4.523 4.070 0.453 18521 99 1 . 1 1 18 18 VAL C C 18 176.089 176.089 175.790 0.299 18521 100 1 . 1 1 18 18 VAL CA C 18 60.797 60.797 62.787 -1.991 18521 101 1 . 1 1 18 18 VAL CB C 18 31.194 31.194 32.118 -0.924 18521 102 1 . 1 1 18 18 VAL H H 18 7.198 7.198 7.388 -0.190 18521 103 1 . 1 1 19 19 GLY N N 19 109.008 109.008 107.862 1.146 18521 104 1 . 1 1 19 19 GLY C C 19 175.070 175.070 174.654 0.416 18521 105 1 . 1 1 19 19 GLY CA C 19 45.842 45.842 45.411 0.431 18521 106 1 . 1 1 19 19 GLY H H 19 7.731 7.731 7.688 0.043 18521 107 1 . 1 1 20 20 LEU N N 20 125.244 125.244 122.869 2.375 18521 108 1 . 1 1 20 20 LEU HA H 20 4.938 4.938 4.624 0.314 18521 109 1 . 1 1 20 20 LEU C C 20 177.890 177.890 177.044 0.846 18521 110 1 . 1 1 20 20 LEU CA C 20 52.674 52.674 53.233 -0.559 18521 111 1 . 1 1 20 20 LEU CB C 20 40.239 40.239 40.201 0.038 18521 112 1 . 1 1 20 20 LEU H H 20 8.102 8.102 8.358 -0.256 18521 113 1 . 1 1 21 21 GLY N N 21 108.031 108.031 109.833 -1.802 18521 114 1 . 1 1 21 21 GLY C C 21 176.174 176.174 175.925 0.249 18521 115 1 . 1 1 21 21 GLY CA C 21 47.352 47.352 47.423 -0.071 18521 116 1 . 1 1 21 21 GLY H H 21 8.046 8.046 8.120 -0.074 18521 117 1 . 1 1 22 22 ILE N N 22 121.173 121.173 122.013 -0.840 18521 118 1 . 1 1 22 22 ILE HA H 22 3.944 3.944 3.751 0.193 18521 119 1 . 1 1 22 22 ILE C C 22 176.119 176.119 177.670 -1.551 18521 120 1 . 1 1 22 22 ILE CA C 22 61.179 61.179 64.672 -3.493 18521 121 1 . 1 1 22 22 ILE CB C 22 35.934 35.934 37.809 -1.875 18521 122 1 . 1 1 22 22 ILE H H 22 8.395 8.395 8.049 0.346 18521 123 1 . 1 1 23 23 ILE N N 23 120.647 120.647 120.115 0.532 18521 124 1 . 1 1 23 23 ILE HA H 23 3.713 3.713 3.803 -0.090 18521 125 1 . 1 1 23 23 ILE C C 23 178.458 178.458 178.590 -0.132 18521 126 1 . 1 1 23 23 ILE CA C 23 64.266 64.266 62.326 1.940 18521 127 1 . 1 1 23 23 ILE CB C 23 36.272 36.272 36.112 0.160 18521 128 1 . 1 1 23 23 ILE H H 23 6.824 6.824 7.501 -0.677 18521 129 1 . 1 1 24 24 GLY N N 24 103.326 103.326 107.864 -4.538 18521 130 1 . 1 1 24 24 GLY C C 24 174.914 174.914 175.631 -0.717 18521 131 1 . 1 1 24 24 GLY CA C 24 47.998 47.998 47.068 0.930 18521 132 1 . 1 1 24 24 GLY H H 24 7.412 7.412 7.813 -0.401 18521 133 1 . 1 1 25 25 TYR N N 25 124.188 124.188 124.095 0.093 18521 134 1 . 1 1 25 25 TYR HA H 25 3.734 3.734 3.757 -0.023 18521 135 1 . 1 1 25 25 TYR C C 25 176.055 176.055 177.196 -1.141 18521 136 1 . 1 1 25 25 TYR CA C 25 60.962 60.962 60.698 0.264 18521 137 1 . 1 1 25 25 TYR CB C 25 37.888 37.888 37.683 0.205 18521 138 1 . 1 1 25 25 TYR H H 25 7.861 7.861 8.215 -0.354 18521 139 1 . 1 1 26 26 TYR N N 26 117.390 117.390 117.317 0.072 18521 140 1 . 1 1 26 26 TYR HA H 26 3.881 3.881 3.922 -0.041 18521 141 1 . 1 1 26 26 TYR C C 26 178.653 178.653 177.963 0.690 18521 142 1 . 1 1 26 26 TYR CA C 26 64.270 64.270 62.407 1.863 18521 143 1 . 1 1 26 26 TYR CB C 26 37.453 37.453 38.182 -0.730 18521 144 1 . 1 1 26 26 TYR H H 26 7.594 7.594 7.572 0.022 18521 145 1 . 1 1 27 27 LEU N N 27 118.536 118.536 119.577 -1.041 18521 146 1 . 1 1 27 27 LEU HA H 27 4.277 4.277 3.792 0.485 18521 147 1 . 1 1 27 27 LEU C C 27 179.025 179.025 178.957 0.068 18521 148 1 . 1 1 27 27 LEU CA C 27 58.382 58.382 58.148 0.234 18521 149 1 . 1 1 27 27 LEU CB C 27 42.595 42.595 41.069 1.526 18521 150 1 . 1 1 27 27 LEU H H 27 8.226 8.226 7.841 0.385 18521 151 1 . 1 1 28 28 GLN N N 28 119.110 119.110 117.957 1.153 18521 152 1 . 1 1 28 28 GLN HA H 28 3.665 3.665 3.822 -0.157 18521 153 1 . 1 1 28 28 GLN C C 28 177.406 177.406 178.370 -0.964 18521 154 1 . 1 1 28 28 GLN CA C 28 60.626 60.626 58.990 1.636 18521 155 1 . 1 1 28 28 GLN CB C 28 28.959 28.959 28.537 0.422 18521 156 1 . 1 1 28 28 GLN H H 28 8.007 8.007 8.247 -0.240 18521 157 1 . 1 1 29 29 LEU N N 29 121.623 121.623 120.841 0.782 18521 158 1 . 1 1 29 29 LEU HA H 29 3.718 3.718 3.859 -0.141 18521 159 1 . 1 1 29 29 LEU C C 29 179.706 179.706 178.048 1.658 18521 160 1 . 1 1 29 29 LEU CA C 29 58.382 58.382 57.484 0.898 18521 161 1 . 1 1 29 29 LEU CB C 29 42.114 42.114 41.438 0.676 18521 162 1 . 1 1 29 29 LEU H H 29 7.938 7.938 7.284 0.654 18521 163 1 . 1 1 30 30 TYR N N 30 120.084 120.084 120.491 -0.407 18521 164 1 . 1 1 30 30 TYR HA H 30 4.132 4.132 3.896 0.236 18521 165 1 . 1 1 30 30 TYR C C 30 175.611 175.611 177.010 -1.399 18521 166 1 . 1 1 30 30 TYR CA C 30 58.951 58.951 60.236 -1.285 18521 167 1 . 1 1 30 30 TYR CB C 30 39.302 39.302 37.845 1.456 18521 168 1 . 1 1 30 30 TYR H H 30 7.974 7.974 8.055 -0.081 18521 169 1 . 1 1 31 31 ALA N N 31 121.802 121.802 121.198 0.604 18521 170 1 . 1 1 31 31 ALA HA H 31 3.343 3.343 3.558 -0.215 18521 171 1 . 1 1 31 31 ALA C C 31 178.911 178.911 179.210 -0.299 18521 172 1 . 1 1 31 31 ALA CA C 31 55.429 55.429 54.854 0.575 18521 173 1 . 1 1 31 31 ALA CB C 31 17.895 17.895 17.959 -0.064 18521 174 1 . 1 1 31 31 ALA H H 31 8.504 8.504 8.104 0.400 18521 175 1 . 1 1 32 32 VAL N N 32 116.528 116.528 118.713 -2.185 18521 176 1 . 1 1 32 32 VAL HA H 32 3.249 3.249 3.408 -0.159 18521 177 1 . 1 1 32 32 VAL C C 32 176.963 176.963 177.927 -0.963 18521 178 1 . 1 1 32 32 VAL CA C 32 67.723 67.723 67.117 0.607 18521 179 1 . 1 1 32 32 VAL CB C 32 31.403 31.403 31.379 0.024 18521 180 1 . 1 1 32 32 VAL H H 32 8.027 8.027 7.755 0.272 18521 181 1 . 1 1 33 33 GLU N N 33 118.609 118.609 119.245 -0.636 18521 182 1 . 1 1 33 33 GLU HA H 33 3.804 3.804 3.980 -0.176 18521 183 1 . 1 1 33 33 GLU C C 33 180.234 180.234 179.218 1.016 18521 184 1 . 1 1 33 33 GLU CA C 33 59.446 59.446 59.233 0.213 18521 185 1 . 1 1 33 33 GLU CB C 33 28.711 28.711 29.375 -0.664 18521 186 1 . 1 1 33 33 GLU H H 33 7.299 7.299 7.508 -0.209 18521 187 1 . 1 1 34 34 LEU N N 34 120.831 120.831 121.010 -0.179 18521 188 1 . 1 1 34 34 LEU HA H 34 3.702 3.702 3.888 -0.186 18521 189 1 . 1 1 34 34 LEU C C 34 180.024 180.024 178.921 1.103 18521 190 1 . 1 1 34 34 LEU CA C 34 57.815 57.815 58.079 -0.264 18521 191 1 . 1 1 34 34 LEU CB C 34 42.097 42.097 41.543 0.554 18521 192 1 . 1 1 34 34 LEU H H 34 8.168 8.168 7.311 0.857 18521 193 1 . 1 1 35 35 ILE N N 35 120.733 120.733 118.564 2.169 18521 194 1 . 1 1 35 35 ILE HA H 35 3.589 3.589 3.586 0.003 18521 195 1 . 1 1 35 35 ILE C C 35 178.501 178.501 178.769 -0.268 18521 196 1 . 1 1 35 35 ILE CA C 35 65.363 65.363 65.155 0.208 18521 197 1 . 1 1 35 35 ILE CB C 35 38.960 38.960 37.938 1.022 18521 198 1 . 1 1 35 35 ILE H H 35 8.064 8.064 7.536 0.528 18521 199 1 . 1 1 36 36 LEU N N 36 115.519 115.519 119.121 -3.602 18521 200 1 . 1 1 36 36 LEU HA H 36 3.958 3.958 4.005 -0.047 18521 201 1 . 1 1 36 36 LEU C C 36 178.244 178.244 178.232 0.012 18521 202 1 . 1 1 36 36 LEU CA C 36 56.069 56.069 57.344 -1.275 18521 203 1 . 1 1 36 36 LEU CB C 36 40.528 40.528 41.728 -1.200 18521 204 1 . 1 1 36 36 LEU H H 36 8.370 8.370 7.710 0.660 18521 205 1 . 1 1 37 37 SER N N 37 113.976 113.976 111.017 2.959 18521 206 1 . 1 1 37 37 SER HA H 37 4.197 4.197 4.287 -0.090 18521 207 1 . 1 1 37 37 SER C C 37 173.934 173.934 174.583 -0.649 18521 208 1 . 1 1 37 37 SER CA C 37 60.204 60.204 59.512 0.692 18521 209 1 . 1 1 37 37 SER CB C 37 63.507 63.507 63.560 -0.053 18521 210 1 . 1 1 37 37 SER H H 37 7.523 7.523 7.944 -0.421 18521 211 1 . 1 1 38 38 GLU N N 38 123.219 123.219 121.854 1.365 18521 212 1 . 1 1 38 38 GLU HA H 38 4.426 4.426 4.355 0.071 18521 213 1 . 1 1 38 38 GLU C C 38 175.767 175.767 176.177 -0.410 18521 214 1 . 1 1 38 38 GLU CA C 38 55.046 55.046 55.760 -0.714 18521 215 1 . 1 1 38 38 GLU CB C 38 30.395 30.395 30.354 0.041 18521 216 1 . 1 1 38 38 GLU H H 38 7.185 7.185 7.505 -0.320 18521 217 1 . 1 1 39 39 GLU N N 39 126.955 126.955 124.336 2.619 18521 218 1 . 1 1 39 39 GLU HA H 39 3.985 3.985 4.081 -0.096 18521 219 1 . 1 1 39 39 GLU C C 39 176.861 176.861 176.054 0.807 18521 220 1 . 1 1 39 39 GLU CA C 39 58.331 58.331 58.318 0.013 18521 221 1 . 1 1 39 39 GLU CB C 39 30.008 30.008 30.004 0.004 18521 222 1 . 1 1 39 39 GLU H H 39 8.632 8.632 8.672 -0.040 18521 223 1 . 1 1 40 40 ASP N N 40 119.763 119.763 119.756 0.007 18521 224 1 . 1 1 40 40 ASP HA H 40 4.616 4.616 4.730 -0.114 18521 225 1 . 1 1 40 40 ASP C C 40 174.989 174.989 175.416 -0.427 18521 226 1 . 1 1 40 40 ASP CA C 40 53.281 53.281 54.012 -0.731 18521 227 1 . 1 1 40 40 ASP CB C 40 39.814 39.814 40.807 -0.993 18521 228 1 . 1 1 40 40 ASP H H 40 8.560 8.560 8.183 0.377 18521 229 1 . 1 1 41 41 ARG N N 41 119.595 119.595 122.302 -2.707 18521 230 1 . 1 1 41 41 ARG HA H 41 4.390 4.390 4.580 -0.190 18521 231 1 . 1 1 41 41 ARG C C 41 175.553 175.553 174.942 0.611 18521 232 1 . 1 1 41 41 ARG CA C 41 54.707 54.707 55.243 -0.536 18521 233 1 . 1 1 41 41 ARG CB C 41 31.865 31.865 33.606 -1.741 18521 234 1 . 1 1 41 41 ARG H H 41 7.443 7.443 8.513 -1.070 18521 235 1 . 1 1 42 42 SER N N 42 119.463 119.463 118.232 1.231 18521 236 1 . 1 1 42 42 SER HA H 42 4.381 4.381 4.715 -0.334 18521 237 1 . 1 1 42 42 SER C C 42 175.361 175.361 175.114 0.247 18521 238 1 . 1 1 42 42 SER CA C 42 57.137 57.137 56.546 0.591 18521 239 1 . 1 1 42 42 SER CB C 42 65.166 65.166 65.362 -0.196 18521 240 1 . 1 1 42 42 SER H H 42 8.556 8.556 8.394 0.162 18521 241 1 . 1 1 43 43 GLN N N 43 122.535 122.535 122.443 0.092 18521 242 1 . 1 1 43 43 GLN HA H 43 4.018 4.018 3.963 0.055 18521 243 1 . 1 1 43 43 GLN C C 43 178.768 178.768 178.114 0.654 18521 244 1 . 1 1 43 43 GLN CA C 43 59.073 59.073 59.661 -0.587 18521 245 1 . 1 1 43 43 GLN CB C 43 27.871 27.871 28.597 -0.726 18521 246 1 . 1 1 43 43 GLN H H 43 9.087 9.087 8.943 0.144 18521 247 1 . 1 1 44 44 GLU N N 44 120.308 120.308 119.551 0.758 18521 248 1 . 1 1 44 44 GLU HA H 44 3.982 3.982 4.115 -0.133 18521 249 1 . 1 1 44 44 GLU C C 44 179.737 179.737 178.876 0.861 18521 250 1 . 1 1 44 44 GLU CA C 44 60.142 60.142 59.175 0.967 18521 251 1 . 1 1 44 44 GLU CB C 44 28.801 28.801 29.201 -0.400 18521 252 1 . 1 1 44 44 GLU H H 44 8.958 8.958 8.501 0.457 18521 253 1 . 1 1 45 45 MET N N 45 120.968 120.968 118.444 2.524 18521 254 1 . 1 1 45 45 MET HA H 45 4.432 4.432 4.221 0.211 18521 255 1 . 1 1 45 45 MET C C 45 178.153 178.153 178.678 -0.525 18521 256 1 . 1 1 45 45 MET CA C 45 57.117 57.117 58.544 -1.427 18521 257 1 . 1 1 45 45 MET CB C 45 32.517 32.517 32.487 0.030 18521 258 1 . 1 1 45 45 MET H H 45 7.740 7.740 7.944 -0.204 18521 259 1 . 1 1 46 46 THR N N 46 120.159 120.159 116.401 3.758 18521 260 1 . 1 1 46 46 THR HA H 46 3.620 3.620 3.916 -0.296 18521 261 1 . 1 1 46 46 THR C C 46 176.389 176.389 176.287 0.102 18521 262 1 . 1 1 46 46 THR CA C 46 67.416 67.416 67.075 0.341 18521 263 1 . 1 1 46 46 THR CB C 46 68.208 68.208 68.580 -0.372 18521 264 1 . 1 1 46 46 THR H H 46 8.190 8.190 8.629 -0.439 18521 265 1 . 1 1 47 47 ALA N N 47 124.729 124.729 123.836 0.893 18521 266 1 . 1 1 47 47 ALA HA H 47 4.060 4.060 4.156 -0.096 18521 267 1 . 1 1 47 47 ALA C C 47 179.554 179.554 179.185 0.369 18521 268 1 . 1 1 47 47 ALA CA C 47 55.195 55.195 54.813 0.382 18521 269 1 . 1 1 47 47 ALA CB C 47 17.654 17.654 18.277 -0.623 18521 270 1 . 1 1 47 47 ALA H H 47 8.292 8.292 7.879 0.413 18521 271 1 . 1 1 48 48 LEU N N 48 122.244 122.244 120.837 1.407 18521 272 1 . 1 1 48 48 LEU HA H 48 4.195 4.195 4.056 0.139 18521 273 1 . 1 1 48 48 LEU C C 48 178.022 178.022 178.490 -0.468 18521 274 1 . 1 1 48 48 LEU CA C 48 57.695 57.695 57.497 0.198 18521 275 1 . 1 1 48 48 LEU CB C 48 41.236 41.236 41.666 -0.430 18521 276 1 . 1 1 48 48 LEU H H 48 7.723 7.723 7.807 -0.084 18521 277 1 . 1 1 49 49 ALA N N 49 120.883 120.883 120.393 0.490 18521 278 1 . 1 1 49 49 ALA HA H 49 3.854 3.854 3.903 -0.049 18521 279 1 . 1 1 49 49 ALA C C 49 178.770 178.770 179.397 -0.627 18521 280 1 . 1 1 49 49 ALA CA C 49 55.836 55.836 55.155 0.681 18521 281 1 . 1 1 49 49 ALA CB C 49 17.137 17.137 18.220 -1.083 18521 282 1 . 1 1 49 49 ALA H H 49 8.210 8.210 7.992 0.218 18521 283 1 . 1 1 50 50 THR N N 50 113.676 113.676 115.092 -1.416 18521 284 1 . 1 1 50 50 THR HA H 50 3.765 3.765 3.875 -0.110 18521 285 1 . 1 1 50 50 THR C C 50 175.836 175.836 176.360 -0.524 18521 286 1 . 1 1 50 50 THR CA C 50 66.975 66.975 67.553 -0.578 18521 287 1 . 1 1 50 50 THR CB C 50 68.976 68.976 68.576 0.400 18521 288 1 . 1 1 50 50 THR H H 50 7.891 7.891 7.590 0.301 18521 289 1 . 1 1 51 51 GLU N N 51 123.445 123.445 122.201 1.244 18521 290 1 . 1 1 51 51 GLU HA H 51 4.221 4.221 4.035 0.186 18521 291 1 . 1 1 51 51 GLU C C 51 179.906 179.906 178.815 1.091 18521 292 1 . 1 1 51 51 GLU CA C 51 59.436 59.436 59.285 0.151 18521 293 1 . 1 1 51 51 GLU CB C 51 29.498 29.498 29.556 -0.058 18521 294 1 . 1 1 51 51 GLU H H 51 7.877 7.877 7.778 0.098 18521 295 1 . 1 1 52 52 LEU N N 52 121.629 121.629 119.218 2.411 18521 296 1 . 1 1 52 52 LEU HA H 52 3.907 3.907 4.026 -0.119 18521 297 1 . 1 1 52 52 LEU C C 52 178.993 178.993 179.107 -0.114 18521 298 1 . 1 1 52 52 LEU CA C 52 57.840 57.840 57.590 0.250 18521 299 1 . 1 1 52 52 LEU CB C 52 42.076 42.076 41.792 0.284 18521 300 1 . 1 1 52 52 LEU H H 52 8.670 8.670 7.497 1.173 18521 301 1 . 1 1 53 53 LEU N N 53 119.996 119.996 119.801 0.195 18521 302 1 . 1 1 53 53 LEU HA H 53 3.949 3.949 3.796 0.153 18521 303 1 . 1 1 53 53 LEU C C 53 179.950 179.950 178.958 0.992 18521 304 1 . 1 1 53 53 LEU CA C 53 58.480 58.480 58.058 0.422 18521 305 1 . 1 1 53 53 LEU CB C 53 41.341 41.341 41.042 0.299 18521 306 1 . 1 1 53 53 LEU H H 53 8.336 8.336 7.534 0.802 18521 307 1 . 1 1 54 54 ASP N N 54 120.632 120.632 118.978 1.654 18521 308 1 . 1 1 54 54 ASP HA H 54 4.409 4.409 4.429 -0.020 18521 309 1 . 1 1 54 54 ASP C C 54 179.383 179.383 178.793 0.590 18521 310 1 . 1 1 54 54 ASP CA C 54 57.510 57.510 57.395 0.115 18521 311 1 . 1 1 54 54 ASP CB C 54 40.275 40.275 40.295 -0.020 18521 312 1 . 1 1 54 54 ASP H H 54 7.884 7.884 7.773 0.111 18521 313 1 . 1 1 55 55 THR N N 55 121.006 121.006 117.550 3.456 18521 314 1 . 1 1 55 55 THR HA H 55 3.923 3.923 4.090 -0.167 18521 315 1 . 1 1 55 55 THR C C 55 177.066 177.066 176.854 0.212 18521 316 1 . 1 1 55 55 THR CA C 55 67.018 67.018 66.867 0.151 18521 317 1 . 1 1 55 55 THR CB C 55 68.725 68.725 68.704 0.021 18521 318 1 . 1 1 55 55 THR H H 55 8.279 8.279 7.475 0.805 18521 319 1 . 1 1 56 56 ILE N N 56 125.465 125.465 122.896 2.569 18521 320 1 . 1 1 56 56 ILE HA H 56 3.748 3.748 3.821 -0.073 18521 321 1 . 1 1 56 56 ILE C C 56 177.879 177.879 178.026 -0.147 18521 322 1 . 1 1 56 56 ILE CA C 56 65.765 65.765 66.233 -0.468 18521 323 1 . 1 1 56 56 ILE CB C 56 38.646 38.646 37.808 0.838 18521 324 1 . 1 1 56 56 ILE H H 56 8.872 8.872 8.542 0.330 18521 325 1 . 1 1 57 57 GLU N N 57 119.951 119.951 119.650 0.301 18521 326 1 . 1 1 57 57 GLU HA H 57 4.034 4.034 3.982 0.052 18521 327 1 . 1 1 57 57 GLU C C 57 179.357 179.357 179.048 0.309 18521 328 1 . 1 1 57 57 GLU CA C 57 59.241 59.241 59.738 -0.497 18521 329 1 . 1 1 57 57 GLU CB C 57 29.226 29.226 29.475 -0.249 18521 330 1 . 1 1 57 57 GLU H H 57 8.024 8.024 8.212 -0.188 18521 331 1 . 1 1 58 58 ALA N N 58 122.402 122.402 122.664 -0.262 18521 332 1 . 1 1 58 58 ALA HA H 58 4.044 4.044 4.147 -0.103 18521 333 1 . 1 1 58 58 ALA C C 58 180.049 180.049 179.636 0.413 18521 334 1 . 1 1 58 58 ALA CA C 58 55.167 55.167 55.024 0.143 18521 335 1 . 1 1 58 58 ALA CB C 58 17.836 17.836 18.355 -0.519 18521 336 1 . 1 1 58 58 ALA H H 58 8.026 8.026 8.241 -0.215 18521 337 1 . 1 1 59 59 PHE N N 59 122.034 122.034 120.388 1.646 18521 338 1 . 1 1 59 59 PHE HA H 59 4.165 4.165 4.179 -0.014 18521 339 1 . 1 1 59 59 PHE C C 59 177.169 177.169 177.250 -0.081 18521 340 1 . 1 1 59 59 PHE CA C 59 61.373 61.373 61.383 -0.010 18521 341 1 . 1 1 59 59 PHE CB C 59 39.384 39.384 39.633 -0.249 18521 342 1 . 1 1 59 59 PHE H H 59 8.243 8.243 8.871 -0.628 18521 343 1 . 1 1 60 60 LYS N N 60 117.415 117.415 119.571 -2.156 18521 344 1 . 1 1 60 60 LYS HA H 60 3.490 3.490 3.661 -0.171 18521 345 1 . 1 1 60 60 LYS C C 60 179.705 179.705 178.497 1.208 18521 346 1 . 1 1 60 60 LYS CA C 60 60.051 60.051 59.439 0.612 18521 347 1 . 1 1 60 60 LYS CB C 60 32.376 32.376 32.476 -0.100 18521 348 1 . 1 1 60 60 LYS H H 60 7.978 7.978 8.657 -0.679 18521 349 1 . 1 1 61 61 LYS N N 61 119.540 119.540 118.461 1.079 18521 350 1 . 1 1 61 61 LYS HA H 61 3.942 3.942 3.970 -0.028 18521 351 1 . 1 1 61 61 LYS C C 61 178.728 178.728 178.752 -0.024 18521 352 1 . 1 1 61 61 LYS CA C 61 58.878 58.878 59.441 -0.563 18521 353 1 . 1 1 61 61 LYS CB C 61 32.626 32.626 32.287 0.340 18521 354 1 . 1 1 61 61 LYS H H 61 7.853 7.853 8.113 -0.260 18521 355 1 . 1 1 62 62 GLU N N 62 121.166 121.166 116.687 4.479 18521 356 1 . 1 1 62 62 GLU HA H 62 3.933 3.933 4.037 -0.104 18521 357 1 . 1 1 62 62 GLU C C 62 178.405 178.405 177.305 1.100 18521 358 1 . 1 1 62 62 GLU CA C 62 58.655 58.655 58.470 0.185 18521 359 1 . 1 1 62 62 GLU CB C 62 29.439 29.439 29.651 -0.212 18521 360 1 . 1 1 62 62 GLU H H 62 7.956 7.956 7.645 0.311 18521 361 1 . 1 1 63 63 ILE N N 63 117.896 117.896 116.629 1.267 18521 362 1 . 1 1 63 63 ILE HA H 63 3.707 3.707 4.164 -0.457 18521 363 1 . 1 1 63 63 ILE C C 63 177.438 177.438 176.698 0.740 18521 364 1 . 1 1 63 63 ILE CA C 63 61.473 61.473 60.316 1.157 18521 365 1 . 1 1 63 63 ILE CB C 63 36.546 36.546 38.920 -2.374 18521 366 1 . 1 1 63 63 ILE H H 63 7.652 7.652 7.272 0.380 18521 367 1 . 1 1 64 64 GLY N N 64 108.028 108.028 109.442 -1.414 18521 368 1 . 1 1 64 64 GLY C C 64 175.261 175.261 175.136 0.126 18521 369 1 . 1 1 64 64 GLY CA C 64 45.891 45.891 46.888 -0.997 18521 370 1 . 1 1 64 64 GLY H H 64 7.654 7.654 8.222 -0.568 18521 371 1 . 1 1 65 65 GLY N N 65 108.488 108.488 107.369 1.119 18521 372 1 . 1 1 65 65 GLY C C 65 174.844 174.844 175.191 -0.347 18521 373 1 . 1 1 65 65 GLY CA C 65 45.608 45.608 45.194 0.414 18521 374 1 . 1 1 65 65 GLY H H 65 7.817 7.817 8.204 -0.387 18521 375 1 . 1 1 66 66 GLU N N 66 121.078 121.078 119.155 1.923 18521 376 1 . 1 1 66 66 GLU HA H 66 4.167 4.167 4.118 0.049 18521 377 1 . 1 1 66 66 GLU C C 66 177.218 177.218 177.017 0.201 18521 378 1 . 1 1 66 66 GLU CA C 66 57.075 57.075 58.588 -1.514 18521 379 1 . 1 1 66 66 GLU CB C 66 30.015 30.015 29.811 0.204 18521 380 1 . 1 1 66 66 GLU H H 66 8.195 8.195 8.616 -0.421 18521 381 1 . 1 1 67 67 SER N N 67 116.370 116.370 111.146 5.224 18521 382 1 . 1 1 67 67 SER HA H 67 4.187 4.187 4.472 -0.285 18521 383 1 . 1 1 67 67 SER C C 67 174.670 174.670 175.525 -0.855 18521 384 1 . 1 1 67 67 SER CA C 67 58.875 58.875 59.969 -1.094 18521 385 1 . 1 1 67 67 SER CB C 67 63.783 63.783 64.005 -0.222 18521 386 1 . 1 1 67 67 SER H H 67 8.205 8.205 8.245 -0.040 18521 387 1 . 1 1 68 68 GLU N N 68 122.388 122.388 122.377 0.011 18521 388 1 . 1 1 68 68 GLU HA H 68 4.173 4.173 4.112 0.061 18521 389 1 . 1 1 68 68 GLU C C 68 176.364 176.364 178.052 -1.688 18521 390 1 . 1 1 68 68 GLU CA C 68 56.734 56.734 58.973 -2.240 18521 391 1 . 1 1 68 68 GLU CB C 68 29.986 29.986 29.296 0.690 18521 392 1 . 1 1 68 68 GLU H H 68 8.170 8.170 8.766 -0.596 18521 393 1 . 1 1 69 69 ALA N N 69 124.265 124.265 120.991 3.274 18521 394 1 . 1 1 69 69 ALA HA H 69 4.212 4.212 4.304 -0.092 18521 395 1 . 1 1 69 69 ALA C C 69 178.042 178.042 178.745 -0.703 18521 396 1 . 1 1 69 69 ALA CA C 69 52.468 52.468 54.617 -2.149 18521 397 1 . 1 1 69 69 ALA CB C 69 19.411 19.411 18.276 1.135 18521 398 1 . 1 1 69 69 ALA H H 69 7.931 7.931 7.962 -0.031 18521 399 1 . 1 1 70 70 GLU N N 70 121.086 121.086 117.522 3.564 18521 400 1 . 1 1 70 70 GLU HA H 70 4.110 4.110 3.999 0.111 18521 401 1 . 1 1 70 70 GLU C C 70 180.047 180.047 178.093 1.954 18521 402 1 . 1 1 70 70 GLU CA C 70 57.325 57.325 58.827 -1.502 18521 403 1 . 1 1 70 70 GLU CB C 70 29.969 29.969 29.547 0.422 18521 404 1 . 1 1 70 70 GLU H H 70 8.447 8.447 7.769 0.678 18521 405 1 . 1 1 71 71 ASP N N 71 120.210 120.210 118.119 2.091 18521 406 1 . 1 1 71 71 ASP HA H 71 4.545 4.545 4.506 0.039 18521 407 1 . 1 1 71 71 ASP C C 71 176.385 176.385 176.752 -0.367 18521 408 1 . 1 1 71 71 ASP CA C 71 54.149 54.149 56.294 -2.145 18521 409 1 . 1 1 71 71 ASP CB C 71 40.756 40.756 41.273 -0.517 18521 410 1 . 1 1 71 71 ASP H H 71 8.308 8.308 7.595 0.713 18521 411 1 . 1 1 72 72 SER N N 72 116.137 116.137 112.910 3.227 18521 412 1 . 1 1 72 72 SER HA H 72 4.259 4.259 4.624 -0.365 18521 413 1 . 1 1 72 72 SER C C 72 174.578 174.578 173.166 1.412 18521 414 1 . 1 1 72 72 SER CA C 72 58.851 58.851 57.803 1.048 18521 415 1 . 1 1 72 72 SER CB C 72 63.870 63.870 63.524 0.346 18521 416 1 . 1 1 72 72 SER H H 72 7.954 7.954 7.780 0.174 18521 417 1 . 1 1 73 73 ASP N N 73 122.500 122.500 124.622 -2.122 18521 418 1 . 1 1 73 73 ASP HA H 73 4.534 4.534 4.682 -0.148 18521 419 1 . 1 1 73 73 ASP C C 73 176.903 176.903 176.386 0.517 18521 420 1 . 1 1 73 73 ASP CA C 73 54.442 54.442 54.603 -0.161 18521 421 1 . 1 1 73 73 ASP CB C 73 41.253 41.253 40.436 0.817 18521 422 1 . 1 1 73 73 ASP H H 73 8.384 8.384 8.798 -0.414 18521 423 1 . 1 1 74 74 LYS N N 74 123.374 123.374 120.049 3.325 18521 424 1 . 1 1 74 74 LYS HA H 74 4.099 4.099 4.292 -0.193 18521 425 1 . 1 1 74 74 LYS C C 74 177.606 177.606 178.524 -0.918 18521 426 1 . 1 1 74 74 LYS CA C 74 57.527 57.527 58.369 -0.842 18521 427 1 . 1 1 74 74 LYS CB C 74 32.115 32.115 33.102 -0.987 18521 428 1 . 1 1 74 74 LYS H H 74 8.338 8.338 7.785 0.553 18521 429 1 . 1 1 75 75 SER N N 75 116.404 116.404 115.707 0.697 18521 430 1 . 1 1 75 75 SER HA H 75 4.190 4.190 4.275 -0.086 18521 431 1 . 1 1 75 75 SER C C 75 176.030 176.030 176.504 -0.474 18521 432 1 . 1 1 75 75 SER CA C 75 60.560 60.560 61.113 -0.553 18521 433 1 . 1 1 75 75 SER CB C 75 62.971 62.971 62.899 0.072 18521 434 1 . 1 1 75 75 SER H H 75 8.409 8.409 8.215 0.194 18521 435 1 . 1 1 76 76 LEU N N 76 123.753 123.753 123.248 0.505 18521 436 1 . 1 1 76 76 LEU HA H 76 4.121 4.121 4.090 0.031 18521 437 1 . 1 1 76 76 LEU C C 76 178.263 178.263 177.685 0.578 18521 438 1 . 1 1 76 76 LEU CA C 76 56.665 56.665 57.321 -0.656 18521 439 1 . 1 1 76 76 LEU CB C 76 41.538 41.538 41.698 -0.160 18521 440 1 . 1 1 76 76 LEU H H 76 8.068 8.068 7.886 0.182 18521 441 1 . 1 1 77 77 HIS N N 77 120.235 120.235 118.359 1.876 18521 442 1 . 1 1 77 77 HIS HA H 77 4.372 4.372 4.177 0.195 18521 443 1 . 1 1 77 77 HIS C C 77 177.974 177.974 177.201 0.773 18521 444 1 . 1 1 77 77 HIS CA C 77 58.504 58.504 59.947 -1.442 18521 445 1 . 1 1 77 77 HIS CB C 77 30.124 30.124 29.577 0.547 18521 446 1 . 1 1 77 77 HIS H H 77 7.955 7.955 8.221 -0.266 18521 447 1 . 1 1 78 78 VAL N N 78 121.721 121.721 120.337 1.384 18521 448 1 . 1 1 78 78 VAL HA H 78 3.612 3.612 3.697 -0.085 18521 449 1 . 1 1 78 78 VAL C C 78 177.688 177.688 177.755 -0.067 18521 450 1 . 1 1 78 78 VAL CA C 78 65.817 65.817 65.893 -0.076 18521 451 1 . 1 1 78 78 VAL CB C 78 31.729 31.729 31.683 0.046 18521 452 1 . 1 1 78 78 VAL H H 78 7.953 7.953 7.533 0.420 18521 453 1 . 1 1 79 79 MET N N 79 119.138 119.138 118.736 0.402 18521 454 1 . 1 1 79 79 MET HA H 79 3.879 3.879 3.968 -0.089 18521 455 1 . 1 1 79 79 MET C C 79 180.609 180.609 177.925 2.684 18521 456 1 . 1 1 79 79 MET CA C 79 59.210 59.210 59.191 0.019 18521 457 1 . 1 1 79 79 MET CB C 79 34.157 34.157 32.288 1.869 18521 458 1 . 1 1 79 79 MET H H 79 8.132 8.132 7.932 0.200 18521 459 1 . 1 1 80 80 ASN N N 80 117.000 117.000 117.196 -0.196 18521 460 1 . 1 1 80 80 ASN HA H 80 4.161 4.161 4.498 -0.337 18521 461 1 . 1 1 80 80 ASN C C 80 178.212 178.212 177.124 1.088 18521 462 1 . 1 1 80 80 ASN CA C 80 56.827 56.827 56.525 0.302 18521 463 1 . 1 1 80 80 ASN CB C 80 38.920 38.920 37.826 1.094 18521 464 1 . 1 1 80 80 ASN H H 80 8.195 8.195 8.453 -0.258 18521 465 1 . 1 1 81 81 THR N N 81 116.021 116.021 117.277 -1.255 18521 466 1 . 1 1 81 81 THR HA H 81 3.975 3.975 4.017 -0.042 18521 467 1 . 1 1 81 81 THR C C 81 175.237 175.237 176.464 -1.227 18521 468 1 . 1 1 81 81 THR CA C 81 66.507 66.507 66.648 -0.141 18521 469 1 . 1 1 81 81 THR CB C 81 68.813 68.813 68.525 0.288 18521 470 1 . 1 1 81 81 THR H H 81 7.952 7.952 7.871 0.081 18521 471 1 . 1 1 82 82 LEU N N 82 119.041 119.041 120.313 -1.272 18521 472 1 . 1 1 82 82 LEU HA H 82 4.040 4.040 4.092 -0.052 18521 473 1 . 1 1 82 82 LEU C C 82 177.541 177.541 178.408 -0.867 18521 474 1 . 1 1 82 82 LEU CA C 82 56.468 56.468 57.740 -1.272 18521 475 1 . 1 1 82 82 LEU CB C 82 42.247 42.247 41.767 0.480 18521 476 1 . 1 1 82 82 LEU H H 82 7.655 7.655 7.576 0.079 18521 477 1 . 1 1 83 83 ILE N N 83 118.063 118.063 115.753 2.310 18521 478 1 . 1 1 83 83 ILE HA H 83 3.805 3.805 3.954 -0.149 18521 479 1 . 1 1 83 83 ILE C C 83 176.681 176.681 178.011 -1.330 18521 480 1 . 1 1 83 83 ILE CA C 83 63.188 63.188 63.785 -0.597 18521 481 1 . 1 1 83 83 ILE CB C 83 37.939 37.939 38.399 -0.460 18521 482 1 . 1 1 83 83 ILE H H 83 7.455 7.455 7.180 0.275 18521 483 1 . 1 1 84 84 HIS N N 84 116.118 116.118 116.100 0.018 18521 484 1 . 1 1 84 84 HIS HA H 84 4.568 4.568 4.462 0.106 18521 485 1 . 1 1 84 84 HIS C C 84 175.568 175.568 175.583 -0.015 18521 486 1 . 1 1 84 84 HIS CA C 84 58.425 58.425 58.883 -0.458 18521 487 1 . 1 1 84 84 HIS CB C 84 31.801 31.801 30.787 1.014 18521 488 1 . 1 1 84 84 HIS H H 84 7.168 7.168 8.629 -1.461 18521 489 1 . 1 1 85 85 ASP N N 85 122.411 122.411 119.810 2.601 18521 490 1 . 1 1 85 85 ASP HA H 85 4.546 4.546 4.735 -0.189 18521 491 1 . 1 1 85 85 ASP C C 85 175.527 175.527 176.751 -1.224 18521 492 1 . 1 1 85 85 ASP CA C 85 53.215 53.215 53.351 -0.136 18521 493 1 . 1 1 85 85 ASP CB C 85 40.936 40.936 40.776 0.160 18521 494 1 . 1 1 85 85 ASP H H 85 8.576 8.576 8.070 0.507 18521 495 1 . 1 1 86 86 GLN N N 86 122.561 122.561 126.719 -4.158 18521 496 1 . 1 1 86 86 GLN HA H 86 4.077 4.077 4.197 -0.120 18521 497 1 . 1 1 86 86 GLN C C 86 178.518 178.518 178.080 0.438 18521 498 1 . 1 1 86 86 GLN CA C 86 57.816 57.816 58.696 -0.880 18521 499 1 . 1 1 86 86 GLN CB C 86 29.165 29.165 28.817 0.348 18521 500 1 . 1 1 86 86 GLN H H 86 8.715 8.715 8.477 0.238 18521 501 1 . 1 1 87 87 GLU N N 87 121.616 121.616 120.133 1.483 18521 502 1 . 1 1 87 87 GLU HA H 87 4.042 4.042 3.715 0.327 18521 503 1 . 1 1 87 87 GLU C C 87 178.154 178.154 178.157 -0.003 18521 504 1 . 1 1 87 87 GLU CA C 87 59.051 59.051 59.583 -0.532 18521 505 1 . 1 1 87 87 GLU CB C 87 29.231 29.231 29.124 0.107 18521 506 1 . 1 1 87 87 GLU H H 87 8.073 8.073 7.931 0.142 18521 507 1 . 1 1 88 88 LYS N N 88 119.006 119.006 119.235 -0.229 18521 508 1 . 1 1 88 88 LYS HA H 88 3.754 3.754 4.037 -0.283 18521 509 1 . 1 1 88 88 LYS C C 88 177.129 177.129 178.597 -1.468 18521 510 1 . 1 1 88 88 LYS CA C 88 59.721 59.721 59.119 0.602 18521 511 1 . 1 1 88 88 LYS CB C 88 32.253 32.253 32.282 -0.029 18521 512 1 . 1 1 88 88 LYS H H 88 7.525 7.525 8.259 -0.734 18521 513 1 . 1 1 89 89 ALA N N 89 121.945 121.945 121.540 0.404 18521 514 1 . 1 1 89 89 ALA HA H 89 3.734 3.734 4.045 -0.311 18521 515 1 . 1 1 89 89 ALA C C 89 177.545 177.545 178.974 -1.429 18521 516 1 . 1 1 89 89 ALA CA C 89 55.977 55.977 55.160 0.817 18521 517 1 . 1 1 89 89 ALA CB C 89 18.763 18.763 18.029 0.734 18521 518 1 . 1 1 89 89 ALA H H 89 8.472 8.472 7.989 0.483 18521 519 1 . 1 1 90 90 LYS N N 90 117.743 117.743 118.957 -1.214 18521 520 1 . 1 1 90 90 LYS HA H 90 4.015 4.015 2.654 1.361 18521 521 1 . 1 1 90 90 LYS C C 90 177.667 177.667 178.466 -0.799 18521 522 1 . 1 1 90 90 LYS CA C 90 58.703 58.703 58.659 0.044 18521 523 1 . 1 1 90 90 LYS CB C 90 32.779 32.779 31.419 1.360 18521 524 1 . 1 1 90 90 LYS H H 90 6.684 6.684 7.542 -0.858 18521 525 1 . 1 1 91 91 ILE N N 91 117.216 117.216 118.761 -1.545 18521 526 1 . 1 1 91 91 ILE HA H 91 3.414 3.414 3.604 -0.190 18521 527 1 . 1 1 91 91 ILE C C 91 178.422 178.422 177.869 0.553 18521 528 1 . 1 1 91 91 ILE CA C 91 64.094 64.094 65.182 -1.088 18521 529 1 . 1 1 91 91 ILE CB C 91 37.481 37.481 37.800 -0.319 18521 530 1 . 1 1 91 91 ILE H H 91 7.196 7.196 7.310 -0.114 18521 531 1 . 1 1 92 92 TYR N N 92 122.201 122.201 120.891 1.310 18521 532 1 . 1 1 92 92 TYR HA H 92 4.047 4.047 4.087 -0.040 18521 533 1 . 1 1 92 92 TYR C C 92 177.726 177.726 177.471 0.255 18521 534 1 . 1 1 92 92 TYR CA C 92 61.771 61.771 61.696 0.075 18521 535 1 . 1 1 92 92 TYR CB C 92 39.295 39.295 38.406 0.889 18521 536 1 . 1 1 92 92 TYR H H 92 8.466 8.466 7.647 0.819 18521 537 1 . 1 1 93 93 MET N N 93 117.420 117.420 119.665 -2.244 18521 538 1 . 1 1 93 93 MET HA H 93 3.896 3.896 3.966 -0.070 18521 539 1 . 1 1 93 93 MET C C 93 180.221 180.221 177.787 2.434 18521 540 1 . 1 1 93 93 MET CA C 93 57.586 57.586 58.171 -0.585 18521 541 1 . 1 1 93 93 MET CB C 93 30.854 30.854 32.221 -1.367 18521 542 1 . 1 1 93 93 MET H H 93 8.269 8.269 8.683 -0.414 18521 543 1 . 1 1 94 94 LEU N N 94 125.183 125.183 120.444 4.739 18521 544 1 . 1 1 94 94 LEU HA H 94 3.826 3.826 3.883 -0.057 18521 545 1 . 1 1 94 94 LEU C C 94 177.787 177.787 178.196 -0.409 18521 546 1 . 1 1 94 94 LEU CA C 94 58.729 58.729 58.561 0.168 18521 547 1 . 1 1 94 94 LEU CB C 94 42.188 42.188 41.512 0.676 18521 548 1 . 1 1 94 94 LEU H H 94 8.733 8.733 8.289 0.444 18521 549 1 . 1 1 95 95 ASN N N 95 121.517 121.517 118.454 3.063 18521 550 1 . 1 1 95 95 ASN HA H 95 4.184 4.184 4.312 -0.128 18521 551 1 . 1 1 95 95 ASN C C 95 178.481 178.481 177.690 0.790 18521 552 1 . 1 1 95 95 ASN CA C 95 56.312 56.312 56.220 0.092 18521 553 1 . 1 1 95 95 ASN H H 95 8.951 8.951 8.151 0.800 18521 554 1 . 1 1 96 96 PHE N N 96 122.778 122.778 121.391 1.387 18521 555 1 . 1 1 96 96 PHE HA H 96 4.341 4.341 4.137 0.204 18521 556 1 . 1 1 96 96 PHE C C 96 177.925 177.925 177.004 0.921 18521 557 1 . 1 1 96 96 PHE CA C 96 62.427 62.427 61.950 0.477 18521 558 1 . 1 1 96 96 PHE H H 96 8.454 8.454 8.404 0.050 18521 559 1 . 1 1 97 97 THR N N 97 117.115 117.115 116.698 0.417 18521 560 1 . 1 1 97 97 THR HA H 97 3.369 3.369 3.785 -0.416 18521 561 1 . 1 1 97 97 THR C C 97 176.185 176.185 176.778 -0.593 18521 562 1 . 1 1 97 97 THR CA C 97 68.090 68.090 67.067 1.023 18521 563 1 . 1 1 97 97 THR CB C 97 68.087 68.087 68.367 -0.280 18521 564 1 . 1 1 97 97 THR H H 97 8.209 8.209 8.646 -0.437 18521 565 1 . 1 1 98 98 MET N N 98 119.373 119.373 120.351 -0.978 18521 566 1 . 1 1 98 98 MET HA H 98 4.360 4.360 4.365 -0.005 18521 567 1 . 1 1 98 98 MET C C 98 177.887 177.887 178.487 -0.600 18521 568 1 . 1 1 98 98 MET CA C 98 58.143 58.143 57.632 0.511 18521 569 1 . 1 1 98 98 MET CB C 98 31.948 31.948 31.361 0.587 18521 570 1 . 1 1 98 98 MET H H 98 8.958 8.958 8.844 0.114 18521 571 1 . 1 1 99 99 SER N N 99 114.517 114.517 116.440 -1.923 18521 572 1 . 1 1 99 99 SER HA H 99 4.043 4.043 4.119 -0.076 18521 573 1 . 1 1 99 99 SER C C 99 176.195 176.195 176.754 -0.559 18521 574 1 . 1 1 99 99 SER CA C 99 62.481 62.481 61.611 0.870 18521 575 1 . 1 1 99 99 SER CB C 99 62.692 62.692 62.735 -0.043 18521 576 1 . 1 1 99 99 SER H H 99 7.708 7.708 8.184 -0.476 18521 577 1 . 1 1 100 100 LEU N N 100 125.126 125.126 123.513 1.613 18521 578 1 . 1 1 100 100 LEU HA H 100 3.913 3.913 3.995 -0.082 18521 579 1 . 1 1 100 100 LEU C C 100 177.327 177.327 178.074 -0.747 18521 580 1 . 1 1 100 100 LEU CA C 100 58.005 58.005 57.350 0.655 18521 581 1 . 1 1 100 100 LEU CB C 100 41.841 41.841 41.584 0.257 18521 582 1 . 1 1 100 100 LEU H H 100 7.277 7.277 7.647 -0.370 18521 583 1 . 1 1 101 101 TYR N N 101 120.940 120.940 119.761 1.180 18521 584 1 . 1 1 101 101 TYR HA H 101 4.143 4.143 4.172 -0.029 18521 585 1 . 1 1 101 101 TYR C C 101 176.784 176.784 177.418 -0.634 18521 586 1 . 1 1 101 101 TYR CA C 101 61.543 61.543 60.827 0.716 18521 587 1 . 1 1 101 101 TYR CB C 101 40.909 40.909 38.325 2.584 18521 588 1 . 1 1 101 101 TYR H H 101 8.858 8.858 8.756 0.102 18521 589 1 . 1 1 102 102 ASN N N 102 119.067 119.067 117.387 1.680 18521 590 1 . 1 1 102 102 ASN HA H 102 4.116 4.116 4.125 -0.009 18521 591 1 . 1 1 102 102 ASN C C 102 178.713 178.713 177.320 1.393 18521 592 1 . 1 1 102 102 ASN CA C 102 55.734 55.734 56.058 -0.324 18521 593 1 . 1 1 102 102 ASN H H 102 8.700 8.700 8.821 -0.121 18521 594 1 . 1 1 103 103 GLU N N 103 119.558 119.558 120.201 -0.643 18521 595 1 . 1 1 103 103 GLU HA H 103 3.944 3.944 3.923 0.021 18521 596 1 . 1 1 103 103 GLU C C 103 179.012 179.012 178.888 0.124 18521 597 1 . 1 1 103 103 GLU CA C 103 59.506 59.506 59.604 -0.098 18521 598 1 . 1 1 103 103 GLU CB C 103 29.349 29.349 29.487 -0.138 18521 599 1 . 1 1 103 103 GLU H H 103 7.599 7.599 7.936 -0.337 18521 600 1 . 1 1 104 104 LYS N N 104 120.218 120.218 118.657 1.561 18521 601 1 . 1 1 104 104 LYS HA H 104 4.051 4.051 4.039 0.012 18521 602 1 . 1 1 104 104 LYS C C 104 178.477 178.477 178.987 -0.510 18521 603 1 . 1 1 104 104 LYS CA C 104 56.534 56.534 58.319 -1.785 18521 604 1 . 1 1 104 104 LYS CB C 104 29.108 29.108 32.149 -3.041 18521 605 1 . 1 1 104 104 LYS H H 104 8.311 8.311 7.567 0.744 18521 606 1 . 1 1 105 105 LEU N N 105 122.110 122.110 119.818 2.292 18521 607 1 . 1 1 105 105 LEU HA H 105 3.774 3.774 3.871 -0.097 18521 608 1 . 1 1 105 105 LEU C C 105 180.224 180.224 178.658 1.566 18521 609 1 . 1 1 105 105 LEU CA C 105 58.148 58.148 57.688 0.460 18521 610 1 . 1 1 105 105 LEU CB C 105 42.394 42.394 41.265 1.129 18521 611 1 . 1 1 105 105 LEU H H 105 8.604 8.604 7.920 0.684 18521 612 1 . 1 1 106 106 LYS N N 106 119.031 119.031 119.301 -0.270 18521 613 1 . 1 1 106 106 LYS HA H 106 4.035 4.035 3.801 0.234 18521 614 1 . 1 1 106 106 LYS C C 106 178.496 178.496 179.089 -0.593 18521 615 1 . 1 1 106 106 LYS CA C 106 59.820 59.820 59.442 0.378 18521 616 1 . 1 1 106 106 LYS CB C 106 31.956 31.956 32.145 -0.189 18521 617 1 . 1 1 106 106 LYS H H 106 7.339 7.339 7.991 -0.652 18521 618 1 . 1 1 107 107 GLN N N 107 121.417 121.417 118.007 3.410 18521 619 1 . 1 1 107 107 GLN HA H 107 3.744 3.744 3.823 -0.079 18521 620 1 . 1 1 107 107 GLN C C 107 178.103 178.103 178.629 -0.526 18521 621 1 . 1 1 107 107 GLN CA C 107 58.582 58.582 58.273 0.309 18521 622 1 . 1 1 107 107 GLN CB C 107 26.969 26.969 28.157 -1.188 18521 623 1 . 1 1 107 107 GLN H H 107 7.590 7.590 7.542 0.048 18521 624 1 . 1 1 108 108 LEU N N 108 120.629 120.629 118.642 1.987 18521 625 1 . 1 1 108 108 LEU HA H 108 3.806 3.806 4.475 -0.669 18521 626 1 . 1 1 108 108 LEU C C 108 178.978 178.978 178.370 0.608 18521 627 1 . 1 1 108 108 LEU CA C 108 58.306 58.306 57.466 0.840 18521 628 1 . 1 1 108 108 LEU CB C 108 42.112 42.112 41.796 0.316 18521 629 1 . 1 1 108 108 LEU H H 108 8.450 8.450 7.420 1.030 18521 630 1 . 1 1 109 109 LYS N N 109 119.584 119.584 117.480 2.104 18521 631 1 . 1 1 109 109 LYS HA H 109 4.166 4.166 4.085 0.081 18521 632 1 . 1 1 109 109 LYS C C 109 177.859 177.859 177.111 0.748 18521 633 1 . 1 1 109 109 LYS CA C 109 58.746 58.746 58.729 0.017 18521 634 1 . 1 1 109 109 LYS CB C 109 32.637 32.637 32.742 -0.105 18521 635 1 . 1 1 109 109 LYS H H 109 7.295 7.295 7.748 -0.453 18521 636 1 . 1 1 110 110 ASP N N 110 116.950 116.950 113.281 3.669 18521 637 1 . 1 1 110 110 ASP HA H 110 4.604 4.604 4.975 -0.371 18521 638 1 . 1 1 110 110 ASP C C 110 177.157 177.157 174.958 2.199 18521 639 1 . 1 1 110 110 ASP CA C 110 55.768 55.768 54.354 1.414 18521 640 1 . 1 1 110 110 ASP CB C 110 42.724 42.724 43.382 -0.658 18521 641 1 . 1 1 110 110 ASP H H 110 7.807 7.807 7.697 0.110 18521 642 1 . 1 1 111 111 GLY N N 111 114.046 114.046 110.122 3.924 18521 643 1 . 1 1 111 111 GLY CA C 111 41.845 41.845 44.260 -2.415 18521 644 1 . 1 1 111 111 GLY H H 111 8.554 8.554 7.395 1.159 18521 645 1 . 1 1 112 112 PRO HA H 112 4.552 4.552 4.063 0.489 18521 646 1 . 1 1 112 112 PRO C C 112 174.967 174.967 175.759 -0.792 18521 647 1 . 1 1 112 112 PRO CA C 112 61.222 61.222 62.766 -1.544 18521 648 1 . 1 1 112 112 PRO CB C 112 35.056 35.056 32.251 2.805 18521 649 1 . 1 1 113 113 TRP N N 113 123.139 123.139 123.281 -0.142 18521 650 1 . 1 1 113 113 TRP HA H 113 4.650 4.650 4.840 -0.190 18521 651 1 . 1 1 113 113 TRP C C 113 174.604 174.604 175.293 -0.689 18521 652 1 . 1 1 113 113 TRP CA C 113 58.154 58.154 56.681 1.473 18521 653 1 . 1 1 113 113 TRP CB C 113 27.048 27.048 31.296 -4.248 18521 654 1 . 1 1 113 113 TRP H H 113 8.671 8.671 8.579 0.092 18521 655 1 . 1 1 114 114 ASP N N 114 121.440 121.440 118.795 2.645 18521 656 1 . 1 1 114 114 ASP HA H 114 4.930 4.930 4.783 0.147 18521 657 1 . 1 1 114 114 ASP C C 114 176.979 176.979 176.204 0.775 18521 658 1 . 1 1 114 114 ASP CA C 114 52.223 52.223 52.712 -0.489 18521 659 1 . 1 1 114 114 ASP CB C 114 43.192 43.192 42.184 1.008 18521 660 1 . 1 1 114 114 ASP H H 114 6.950 6.950 8.108 -1.158 18521 661 1 . 1 1 115 115 VAL N N 115 118.386 118.386 120.100 -1.714 18521 662 1 . 1 1 115 115 VAL HA H 115 3.825 3.825 3.755 0.070 18521 663 1 . 1 1 115 115 VAL C C 115 177.760 177.760 178.047 -0.287 18521 664 1 . 1 1 115 115 VAL CA C 115 65.611 65.611 65.712 -0.101 18521 665 1 . 1 1 115 115 VAL CB C 115 31.657 31.657 32.061 -0.404 18521 666 1 . 1 1 115 115 VAL H H 115 8.181 8.181 8.384 -0.203 18521 667 1 . 1 1 116 116 MET N N 116 120.354 120.354 118.795 1.559 18521 668 1 . 1 1 116 116 MET HA H 116 4.284 4.284 4.154 0.130 18521 669 1 . 1 1 116 116 MET C C 116 179.336 179.336 178.321 1.015 18521 670 1 . 1 1 116 116 MET CA C 116 57.392 57.392 58.876 -1.484 18521 671 1 . 1 1 116 116 MET CB C 116 30.450 30.450 32.202 -1.752 18521 672 1 . 1 1 116 116 MET H H 116 7.661 7.661 7.966 -0.305 18521 673 1 . 1 1 117 117 LEU N N 117 125.774 125.774 120.455 5.319 18521 674 1 . 1 1 117 117 LEU HA H 117 4.129 4.129 4.042 0.087 18521 675 1 . 1 1 117 117 LEU C C 117 178.399 178.399 178.091 0.308 18521 676 1 . 1 1 117 117 LEU CA C 117 58.353 58.353 58.491 -0.138 18521 677 1 . 1 1 117 117 LEU CB C 117 40.392 40.392 41.626 -1.234 18521 678 1 . 1 1 117 117 LEU H H 117 8.179 8.179 9.062 -0.883 18521 679 1 . 1 1 118 118 LYS N N 118 118.471 118.471 119.178 -0.707 18521 680 1 . 1 1 118 118 LYS HA H 118 3.824 3.824 3.955 -0.131 18521 681 1 . 1 1 118 118 LYS C C 118 178.259 178.259 179.103 -0.844 18521 682 1 . 1 1 118 118 LYS CA C 118 60.497 60.497 60.093 0.404 18521 683 1 . 1 1 118 118 LYS CB C 118 32.355 32.355 32.358 -0.003 18521 684 1 . 1 1 118 118 LYS H H 118 7.359 7.359 7.591 -0.232 18521 685 1 . 1 1 119 119 ARG N N 119 117.838 117.838 118.533 -0.695 18521 686 1 . 1 1 119 119 ARG HA H 119 4.158 4.158 4.283 -0.125 18521 687 1 . 1 1 119 119 ARG C C 119 180.132 180.132 179.172 0.960 18521 688 1 . 1 1 119 119 ARG CA C 119 59.535 59.535 59.439 0.096 18521 689 1 . 1 1 119 119 ARG CB C 119 29.994 29.994 30.340 -0.346 18521 690 1 . 1 1 119 119 ARG H H 119 8.316 8.316 8.137 0.179 18521 691 1 . 1 1 120 120 SER N N 120 117.258 117.258 116.677 0.581 18521 692 1 . 1 1 120 120 SER HA H 120 4.374 4.374 4.287 0.087 18521 693 1 . 1 1 120 120 SER C C 120 176.034 176.034 176.698 -0.664 18521 694 1 . 1 1 120 120 SER CA C 120 62.728 62.728 61.956 0.772 18521 695 1 . 1 1 120 120 SER CB C 120 63.050 63.050 62.809 0.241 18521 696 1 . 1 1 120 120 SER H H 120 8.598 8.598 8.258 0.340 18521 697 1 . 1 1 121 121 LEU N N 121 125.307 125.307 122.227 3.080 18521 698 1 . 1 1 121 121 LEU HA H 121 4.192 4.192 4.152 0.040 18521 699 1 . 1 1 121 121 LEU C C 121 179.621 179.621 178.805 0.816 18521 700 1 . 1 1 121 121 LEU CA C 121 58.894 58.894 57.999 0.895 18521 701 1 . 1 1 121 121 LEU CB C 121 41.188 41.188 41.596 -0.408 18521 702 1 . 1 1 121 121 LEU H H 121 8.250 8.250 8.177 0.073 18521 703 1 . 1 1 122 122 TRP N N 122 120.444 120.444 119.397 1.047 18521 704 1 . 1 1 122 122 TRP HA H 122 4.368 4.368 4.353 0.015 18521 705 1 . 1 1 122 122 TRP C C 122 176.943 176.943 178.643 -1.700 18521 706 1 . 1 1 122 122 TRP CA C 122 61.452 61.452 61.530 -0.078 18521 707 1 . 1 1 122 122 TRP CB C 122 29.823 29.823 29.153 0.670 18521 708 1 . 1 1 122 122 TRP H H 122 7.873 7.873 7.714 0.159 18521 709 1 . 1 1 123 123 CYS N N 123 120.188 120.188 119.519 0.669 18521 710 1 . 1 1 123 123 CYS HA H 123 4.264 4.264 4.223 0.041 18521 711 1 . 1 1 123 123 CYS C C 123 176.875 176.875 177.042 -0.167 18521 712 1 . 1 1 123 123 CYS CA C 123 60.573 60.573 62.727 -2.154 18521 713 1 . 1 1 123 123 CYS CB C 123 25.642 25.642 27.094 -1.452 18521 714 1 . 1 1 123 123 CYS H H 123 8.271 8.271 7.994 0.277 18521 715 1 . 1 1 124 124 CYS N N 124 116.760 116.760 119.308 -2.548 18521 716 1 . 1 1 124 124 CYS HA H 124 3.880 3.880 4.047 -0.167 18521 717 1 . 1 1 124 124 CYS C C 124 175.810 175.810 176.977 -1.167 18521 718 1 . 1 1 124 124 CYS CA C 124 65.646 65.646 64.630 1.016 18521 719 1 . 1 1 124 124 CYS CB C 124 28.069 28.069 27.534 0.535 18521 720 1 . 1 1 124 124 CYS H H 124 8.208 8.208 7.964 0.244 18521 721 1 . 1 1 125 125 ILE N N 125 121.167 121.167 121.229 -0.062 18521 722 1 . 1 1 125 125 ILE HA H 125 3.580 3.580 3.778 -0.198 18521 723 1 . 1 1 125 125 ILE C C 125 179.302 179.302 177.657 1.645 18521 724 1 . 1 1 125 125 ILE CA C 125 67.663 67.663 65.944 1.719 18521 725 1 . 1 1 125 125 ILE CB C 125 37.988 37.988 37.496 0.492 18521 726 1 . 1 1 125 125 ILE H H 125 8.073 8.073 8.125 -0.052 18521 727 1 . 1 1 126 126 ASP N N 126 124.812 124.812 120.261 4.551 18521 728 1 . 1 1 126 126 ASP HA H 126 4.622 4.622 4.497 0.125 18521 729 1 . 1 1 126 126 ASP C C 126 178.091 178.091 179.054 -0.963 18521 730 1 . 1 1 126 126 ASP CA C 126 58.885 58.885 57.418 1.467 18521 731 1 . 1 1 126 126 ASP CB C 126 40.408 40.408 40.366 0.042 18521 732 1 . 1 1 126 126 ASP H H 126 8.778 8.778 7.808 0.971 18521 733 1 . 1 1 127 127 LEU N N 127 122.531 122.531 119.987 2.545 18521 734 1 . 1 1 127 127 LEU HA H 127 3.841 3.841 3.816 0.025 18521 735 1 . 1 1 127 127 LEU C C 127 179.582 179.582 178.932 0.650 18521 736 1 . 1 1 127 127 LEU CA C 127 58.632 58.632 57.798 0.834 18521 737 1 . 1 1 127 127 LEU CB C 127 42.680 42.680 41.572 1.108 18521 738 1 . 1 1 127 127 LEU H H 127 8.888 8.888 7.387 1.501 18521 739 1 . 1 1 128 128 ILE N N 128 238.751 238.751 237.442 1.309 18521 740 1 . 1 1 128 128 ILE HA H 128 8.294 8.294 7.766 0.528 18521 741 1 . 1 1 128 128 ILE C C 128 355.239 355.239 356.021 -0.782 18521 742 1 . 1 1 128 128 ILE CA C 128 122.129 122.129 126.800 -4.670 18521 743 1 . 1 1 128 128 ILE CB C 128 78.059 78.059 75.463 2.596 18521 744 1 . 1 1 128 128 ILE H H 128 16.425 16.425 15.723 0.702 18521 745 1 . 1 1 129 129 ASN N N 129 238.099 238.099 233.426 4.673 18521 746 1 . 1 1 129 129 ASN HA H 129 8.629 8.629 8.540 0.089 18521 747 1 . 1 1 129 129 ASN C C 129 356.440 356.440 353.709 2.731 18521 748 1 . 1 1 129 129 ASN CA C 129 115.967 115.967 118.678 -2.711 18521 749 1 . 1 1 129 129 ASN CB C 129 38.792 38.792 38.190 0.602 18521 750 1 . 1 1 129 129 ASN H H 129 16.627 16.627 16.350 0.277 18521 751 1 . 1 1 130 130 ILE N N 130 246.139 246.139 242.349 3.790 18521 752 1 . 1 1 130 130 ILE HA H 130 8.478 8.478 5.521 2.957 18521 753 1 . 1 1 130 130 ILE C C 130 355.401 355.401 353.550 1.851 18521 754 1 . 1 1 130 130 ILE CA C 130 122.613 122.613 126.065 -3.452 18521 755 1 . 1 1 130 130 ILE CB C 130 65.477 65.477 63.675 1.802 18521 756 1 . 1 1 130 130 ILE H H 130 16.313 16.313 14.752 1.561 18521 757 1 . 1 1 131 131 ASP N N 131 242.455 242.455 243.422 -0.967 18521 758 1 . 1 1 131 131 ASP HA H 131 8.462 8.462 7.573 0.889 18521 759 1 . 1 1 131 131 ASP C C 131 354.108 354.108 356.559 -2.451 18521 760 1 . 1 1 131 131 ASP CA C 131 120.572 120.572 123.426 -2.854 18521 761 1 . 1 1 131 131 ASP CB C 131 80.161 80.161 78.546 1.615 18521 762 1 . 1 1 131 131 ASP H H 131 16.051 16.051 15.296 0.755 18521 763 1 . 1 1 132 132 LYS N N 132 236.140 236.140 236.633 -0.493 18521 764 1 . 1 1 132 132 LYS HA H 132 8.178 8.178 7.927 0.251 18521 765 1 . 1 1 132 132 LYS C C 132 353.604 353.604 356.707 -3.103 18521 766 1 . 1 1 132 132 LYS CA C 132 112.850 112.850 116.922 -4.072 18521 767 1 . 1 1 132 132 LYS CB C 132 75.345 75.345 73.931 1.414 18521 768 1 . 1 1 132 132 LYS H H 132 15.886 15.886 15.241 0.645 18521 769 1 . 1 1 133 133 LEU N N 133 237.213 237.213 237.718 -0.505 18521 770 1 . 1 1 133 133 LEU HA H 133 4.158 4.158 4.288 -0.130 18521 771 1 . 1 1 133 133 LEU C C 133 356.707 356.707 357.847 -1.140 18521 772 1 . 1 1 133 133 LEU CA C 133 117.240 117.240 117.336 -0.096 18521 773 1 . 1 1 133 133 LEU CB C 133 74.166 74.166 73.328 0.838 18521 774 1 . 1 1 133 133 LEU H H 133 15.840 15.840 15.385 0.455 18521 775 1 . 1 1 134 134 GLN N N 134 235.064 235.064 237.135 -2.071 18521 776 1 . 1 1 134 134 GLN HA H 134 7.748 7.748 7.641 0.107 18521 777 1 . 1 1 134 134 GLN C C 134 179.500 179.500 176.944 2.556 18521 778 1 . 1 1 134 134 GLN CA C 134 115.420 115.420 114.806 0.614 18521 779 1 . 1 1 134 134 GLN CB C 134 69.260 69.260 69.752 -0.492 18521 780 1 . 1 1 134 134 GLN H H 134 17.129 17.129 16.449 0.680 18521 781 1 . 1 1 135 135 TRP N N 135 115.550 115.550 115.913 -0.363 18521 782 1 . 1 1 135 135 TRP HA H 135 4.991 4.991 4.920 0.072 18521 783 1 . 1 1 135 135 TRP C C 135 175.170 175.170 175.372 -0.202 18521 784 1 . 1 1 135 135 TRP CA C 135 59.426 59.426 55.934 3.492 18521 785 1 . 1 1 135 135 TRP CB C 135 26.894 26.894 28.261 -1.367 18521 786 1 . 1 1 135 135 TRP H H 135 7.727 7.727 7.378 0.349 18521 787 1 . 1 1 136 136 LYS N N 136 119.841 119.841 120.529 -0.688 18521 788 1 . 1 1 136 136 LYS HA H 136 3.830 3.830 4.051 -0.221 18521 789 1 . 1 1 136 136 LYS C C 136 178.330 178.330 178.681 -0.351 18521 790 1 . 1 1 136 136 LYS CA C 136 60.194 60.194 60.172 0.022 18521 791 1 . 1 1 136 136 LYS CB C 136 32.902 32.902 32.410 0.492 18521 792 1 . 1 1 136 136 LYS H H 136 6.580 6.580 7.791 -1.211 18521 793 1 . 1 1 137 137 GLU N N 137 115.250 115.250 116.277 -1.027 18521 794 1 . 1 1 137 137 GLU HA H 137 4.177 4.177 4.145 0.032 18521 795 1 . 1 1 137 137 GLU C C 137 176.698 176.698 177.076 -0.378 18521 796 1 . 1 1 137 137 GLU CA C 137 57.766 57.766 58.349 -0.583 18521 797 1 . 1 1 137 137 GLU CB C 137 29.221 29.221 29.308 -0.087 18521 798 1 . 1 1 137 137 GLU H H 137 8.549 8.549 8.760 -0.211 18521 799 1 . 1 1 138 138 ASN N N 138 116.578 116.578 115.677 0.901 18521 800 1 . 1 1 138 138 ASN HA H 138 4.943 4.943 4.757 0.186 18521 801 1 . 1 1 138 138 ASN C C 138 173.448 173.448 174.345 -0.897 18521 802 1 . 1 1 138 138 ASN CA C 138 52.681 52.681 53.407 -0.726 18521 803 1 . 1 1 138 138 ASN CB C 138 40.833 40.833 39.522 1.311 18521 804 1 . 1 1 138 138 ASN H H 138 8.337 8.337 7.668 0.669 18521 805 1 . 1 1 139 139 ILE N N 139 120.835 120.835 120.077 0.758 18521 806 1 . 1 1 139 139 ILE HA H 139 4.339 4.339 4.283 0.056 18521 807 1 . 1 1 139 139 ILE C C 139 175.219 175.219 175.112 0.107 18521 808 1 . 1 1 139 139 ILE CA C 139 60.867 60.867 60.574 0.293 18521 809 1 . 1 1 139 139 ILE CB C 139 40.270 40.270 39.967 0.303 18521 810 1 . 1 1 139 139 ILE H H 139 7.138 7.138 7.265 -0.127 18521 811 1 . 1 1 140 140 MET N N 140 123.319 123.319 122.090 1.228 18521 812 1 . 1 1 140 140 MET HA H 140 4.324 4.324 4.499 -0.175 18521 813 1 . 1 1 140 140 MET C C 140 177.931 177.931 177.188 0.743 18521 814 1 . 1 1 140 140 MET CA C 140 116.540 116.540 113.185 3.355 18521 815 1 . 1 1 140 140 MET CB C 140 65.156 65.156 64.293 0.863 18521 816 1 . 1 1 140 140 MET H H 140 8.714 8.714 8.493 0.221 18521 817 1 . 1 1 141 141 LEU N N 141 120.610 120.610 123.902 -3.292 18521 818 1 . 1 1 141 141 LEU HA H 141 8.392 8.392 8.111 0.280 18521 819 1 . 1 1 141 141 LEU C C 141 356.122 356.122 357.530 -1.408 18521 820 1 . 1 1 141 141 LEU CA C 141 118.928 118.928 118.378 0.550 18521 821 1 . 1 1 141 141 LEU H H 141 8.333 8.333 8.928 -0.595 18521 822 1 . 1 1 142 142 ASP N N 142 234.858 234.858 236.198 -1.340 18521 823 1 . 1 1 142 142 ASP HA H 142 8.403 8.403 8.749 -0.346 18521 824 1 . 1 1 142 142 ASP C C 142 353.580 353.580 354.969 -1.389 18521 825 1 . 1 1 142 142 ASP CA C 142 120.470 120.470 124.479 -4.009 18521 826 1 . 1 1 142 142 ASP CB C 142 68.329 68.329 68.442 -0.113 18521 827 1 . 1 1 142 142 ASP H H 142 16.464 16.464 16.431 0.033 18521 828 1 . 1 1 143 143 LEU N N 143 241.153 241.153 239.257 1.896 18521 829 1 . 1 1 143 143 LEU HA H 143 8.443 8.443 8.309 0.134 18521 830 1 . 1 1 143 143 LEU C C 143 352.084 352.084 355.507 -3.424 18521 831 1 . 1 1 143 143 LEU CA C 143 119.454 119.454 119.901 -0.447 18521 832 1 . 1 1 143 143 LEU CB C 143 102.901 102.901 104.320 -1.419 18521 833 1 . 1 1 143 143 LEU H H 143 15.747 15.747 16.257 -0.510 18521 834 1 . 1 1 144 144 ILE N N 144 242.873 242.873 244.074 -1.201 18521 835 1 . 1 1 144 144 ILE HA H 144 7.675 7.675 7.702 -0.027 18521 836 1 . 1 1 144 144 ILE C C 144 352.929 352.929 354.118 -1.189 18521 837 1 . 1 1 144 144 ILE CA C 144 128.397 128.397 133.727 -5.330 18521 838 1 . 1 1 144 144 ILE CB C 144 107.634 107.634 105.983 1.651 18521 839 1 . 1 1 144 144 ILE H H 144 16.750 16.750 16.280 0.470 18521 840 1 . 1 1 145 145 GLU N N 145 241.310 241.310 241.626 -0.316 18521 841 1 . 1 1 145 145 GLU HA H 145 8.393 8.393 8.778 -0.385 18521 842 1 . 1 1 145 145 GLU C C 145 357.500 357.500 356.233 1.267 18521 843 1 . 1 1 145 145 GLU CA C 145 116.089 116.089 116.031 0.058 18521 844 1 . 1 1 145 145 GLU CB C 145 67.615 67.615 68.100 -0.485 18521 845 1 . 1 1 145 145 GLU H H 145 15.811 15.811 15.821 -0.010 18521 846 1 . 1 1 146 146 GLN N N 146 234.626 234.626 236.709 -2.083 18521 847 1 . 1 1 146 146 GLN HA H 146 8.063 8.063 8.190 -0.127 18521 848 1 . 1 1 146 146 GLN C C 146 355.812 355.812 354.171 1.641 18521 849 1 . 1 1 146 146 GLN CA C 146 120.773 120.773 120.894 -0.120 18521 850 1 . 1 1 146 146 GLN CB C 146 91.802 91.802 91.262 0.541 18521 851 1 . 1 1 146 146 GLN H H 146 16.272 16.272 15.009 1.263 18521 852 1 . 1 1 147 147 GLY N N 147 231.986 231.986 231.933 0.053 18521 853 1 . 1 1 147 147 GLY HA H 147 3.471 3.471 3.773 -0.302 18521 854 1 . 1 1 147 147 GLY C C 147 354.355 354.355 355.000 -0.645 18521 855 1 . 1 1 147 147 GLY CA C 147 105.909 105.909 106.051 -0.142 18521 856 1 . 1 1 147 147 GLY CB C 147 41.801 41.801 41.446 0.355 18521 857 1 . 1 1 147 147 GLY H H 147 16.163 16.163 15.115 1.048 18521 858 1 . 1 1 148 148 ASP N N 148 242.492 242.492 236.866 5.626 18521 859 1 . 1 1 148 148 ASP HA H 148 8.138 8.138 7.978 0.160 18521 860 1 . 1 1 148 148 ASP C C 148 355.272 355.272 356.743 -1.471 18521 861 1 . 1 1 148 148 ASP CA C 148 116.553 116.553 116.697 -0.144 18521 862 1 . 1 1 148 148 ASP CB C 148 67.662 67.662 68.686 -1.025 18521 863 1 . 1 1 148 148 ASP H H 148 16.916 16.916 16.820 0.096 18521 864 1 . 1 1 149 149 GLU N N 149 242.412 242.412 240.084 2.328 18521 865 1 . 1 1 149 149 GLU HA H 149 7.784 7.784 7.886 -0.102 18521 866 1 . 1 1 149 149 GLU C C 149 175.652 175.652 178.757 -3.105 18521 867 1 . 1 1 149 149 GLU CA C 149 118.967 118.967 119.187 -0.220 18521 868 1 . 1 1 149 149 GLU CB C 149 32.048 32.048 32.256 -0.208 18521 869 1 . 1 1 149 149 GLU H H 149 15.596 15.596 15.950 -0.354 18521 870 1 . 1 1 150 150 LEU N N 150 239.095 239.095 237.645 1.450 18521 871 1 . 1 1 150 150 LEU HA H 150 7.740 7.740 8.040 -0.300 18521 872 1 . 1 1 150 150 LEU C C 150 358.326 358.326 358.343 -0.017 18521 873 1 . 1 1 150 150 LEU CA C 150 116.905 116.905 117.000 -0.095 18521 874 1 . 1 1 150 150 LEU CB C 150 28.936 28.936 29.618 -0.682 18521 875 1 . 1 1 150 150 LEU H H 150 15.031 15.031 14.614 0.417 18521 876 1 . 1 1 151 151 GLN N N 151 238.636 238.636 239.660 -1.024 18521 877 1 . 1 1 151 151 GLN HA H 151 7.327 7.327 7.096 0.231 18521 878 1 . 1 1 151 151 GLN C C 151 355.390 355.390 355.528 -0.138 18521 879 1 . 1 1 151 151 GLN CA C 151 125.562 125.562 124.799 0.763 18521 880 1 . 1 1 151 151 GLN CB C 151 38.409 38.409 37.480 0.929 18521 881 1 . 1 1 151 151 GLN H H 151 15.621 15.621 15.302 0.319 18521 882 1 . 1 1 152 152 GLU N N 152 241.279 241.279 240.122 1.157 18521 883 1 . 1 1 152 152 GLU HA H 152 7.757 7.757 7.904 -0.147 18521 884 1 . 1 1 152 152 GLU C C 152 357.608 357.608 357.792 -0.185 18521 885 1 . 1 1 152 152 GLU CA C 152 120.010 120.010 118.552 1.458 18521 886 1 . 1 1 152 152 GLU CB C 152 61.307 61.307 61.170 0.137 18521 887 1 . 1 1 152 152 GLU H H 152 15.055 15.055 16.554 -1.499 18521 888 1 . 1 1 153 153 VAL N N 153 239.136 239.136 241.754 -2.618 18521 889 1 . 1 1 153 153 VAL HA H 153 7.742 7.742 8.035 -0.293 18521 890 1 . 1 1 153 153 VAL C C 153 357.122 357.122 356.326 0.796 18521 891 1 . 1 1 153 153 VAL CA C 153 128.370 128.370 128.878 -0.508 18521 892 1 . 1 1 153 153 VAL CB C 153 69.170 69.170 70.188 -1.018 18521 893 1 . 1 1 153 153 VAL H H 153 16.385 16.385 17.028 -0.643 18521 894 1 . 1 1 154 154 LEU N N 154 237.987 237.987 237.297 0.690 18521 895 1 . 1 1 154 154 LEU HA H 154 7.996 7.996 8.000 -0.004 18521 896 1 . 1 1 154 154 LEU C C 154 355.474 355.474 355.114 0.360 18521 897 1 . 1 1 154 154 LEU CA C 154 123.406 123.406 122.455 0.951 18521 898 1 . 1 1 154 154 LEU CB C 154 41.797 41.797 41.430 0.367 18521 899 1 . 1 1 154 154 LEU H H 154 15.926 15.926 16.049 -0.123 18521 900 1 . 1 1 155 155 ALA N N 155 239.706 239.706 245.409 -5.703 18521 901 1 . 1 1 155 155 ALA HA H 155 7.737 7.737 7.624 0.113 18521 902 1 . 1 1 155 155 ALA C C 155 359.520 359.520 358.769 0.751 18521 903 1 . 1 1 155 155 ALA CA C 155 114.713 114.713 115.049 -0.336 18521 904 1 . 1 1 155 155 ALA CB C 155 50.492 50.492 50.874 -0.382 18521 905 1 . 1 1 155 155 ALA H H 155 15.715 15.715 15.615 0.100 18521 906 1 . 1 1 156 156 MET N N 156 238.785 238.785 238.369 0.416 18521 907 1 . 1 1 156 156 MET HA H 156 7.594 7.594 7.515 0.079 18521 908 1 . 1 1 156 156 MET C C 156 356.530 356.530 356.413 0.117 18521 909 1 . 1 1 156 156 MET CA C 156 122.512 122.512 124.641 -2.129 18521 910 1 . 1 1 156 156 MET CB C 156 70.307 70.307 70.535 -0.228 18521 911 1 . 1 1 156 156 MET H H 156 16.441 16.441 16.577 -0.136 18521 912 1 . 1 1 157 157 ASN N N 157 237.394 237.394 236.376 1.018 18521 913 1 . 1 1 157 157 ASN HA H 157 8.729 8.729 8.194 0.535 18521 914 1 . 1 1 157 157 ASN C C 157 353.370 353.370 355.616 -2.246 18521 915 1 . 1 1 157 157 ASN CA C 157 116.796 116.796 119.646 -2.850 18521 916 1 . 1 1 157 157 ASN CB C 157 76.869 76.869 76.585 0.285 18521 917 1 . 1 1 157 157 ASN H H 157 16.632 16.632 16.566 0.066 18521 918 1 . 1 1 158 158 ASN N N 158 240.327 240.327 237.071 3.256 18521 919 1 . 1 1 158 158 ASN HA H 158 8.542 8.542 8.247 0.295 18521 920 1 . 1 1 158 158 ASN C C 158 354.396 354.396 355.782 -1.386 18521 921 1 . 1 1 158 158 ASN CA C 158 112.397 112.397 114.032 -1.634 18521 922 1 . 1 1 158 158 ASN CB C 158 82.119 82.119 79.501 2.618 18521 923 1 . 1 1 158 158 ASN H H 158 16.366 16.366 17.394 -1.028 18521 924 1 . 1 1 159 159 ASN N N 159 235.137 235.137 231.279 3.858 18521 925 1 . 1 1 159 159 ASN HA H 159 8.622 8.622 8.522 0.100 18521 926 1 . 1 1 159 159 ASN C C 159 353.461 353.461 354.164 -0.703 18521 927 1 . 1 1 159 159 ASN CA C 159 115.388 115.388 118.276 -2.888 18521 928 1 . 1 1 159 159 ASN CB C 159 101.135 101.135 100.794 0.341 18521 929 1 . 1 1 159 159 ASN H H 159 16.331 16.331 15.149 1.182 18521 930 1 . 1 1 160 160 SER N N 160 233.468 233.468 239.051 -5.583 18521 931 1 . 1 1 160 160 SER HA H 160 8.456 8.456 7.973 0.483 18521 932 1 . 1 1 160 160 SER C C 160 174.952 174.952 176.984 -2.032 18521 933 1 . 1 1 160 160 SER CA C 160 118.394 118.394 120.626 -2.232 18521 934 1 . 1 1 160 160 SER CB C 160 93.343 93.343 95.101 -1.758 18521 935 1 . 1 1 160 160 SER H H 160 16.603 16.603 14.813 1.790 18521 936 1 . 1 1 161 161 GLY N N 161 110.851 110.851 106.421 4.430 18521 937 1 . 1 1 161 161 GLY HA H 161 4.146 4.146 4.057 0.089 18521 938 1 . 1 1 161 161 GLY C C 161 354.784 354.784 356.799 -2.015 18521 939 1 . 1 1 161 161 GLY CA C 161 103.125 103.125 105.826 -2.701 18521 940 1 . 1 1 161 161 GLY CB C 161 42.245 42.245 41.817 0.428 18521 941 1 . 1 1 161 161 GLY H H 161 16.936 16.936 16.376 0.560 18521 942 1 . 1 1 162 162 GLU N N 162 244.493 244.493 238.909 5.584 18521 943 1 . 1 1 162 162 GLU HA H 162 8.307 8.307 8.383 -0.076 18521 944 1 . 1 1 162 162 GLU C C 162 357.083 357.083 356.168 0.915 18521 945 1 . 1 1 162 162 GLU CA C 162 111.036 111.036 113.450 -2.414 18521 946 1 . 1 1 162 162 GLU CB C 162 48.934 48.934 47.391 1.543 18521 947 1 . 1 1 162 162 GLU H H 162 16.378 16.378 15.482 0.896 18521 948 1 . 1 1 163 163 LEU N N 163 239.361 239.361 235.080 4.281 18521 949 1 . 1 1 163 163 LEU HA H 163 8.124 8.124 8.589 -0.465 18521 950 1 . 1 1 163 163 LEU C C 163 354.909 354.909 353.500 1.409 18521 951 1 . 1 1 163 163 LEU CA C 163 113.868 113.868 110.615 3.253 18521 952 1 . 1 1 163 163 LEU CB C 163 75.483 75.483 74.708 0.775 18521 953 1 . 1 1 163 163 LEU H H 163 16.046 16.046 15.392 0.654 18521 954 1 . 1 1 164 164 ASP N N 164 225.433 225.433 226.700 -1.266 18521 955 1 . 1 1 164 164 ASP HA H 164 4.327 4.327 4.269 0.058 18521 956 1 . 1 1 164 164 ASP C C 164 351.446 351.446 352.193 -0.747 18521 957 1 . 1 1 164 164 ASP CA C 164 101.408 101.408 100.529 0.879 18521 958 1 . 1 1 164 164 ASP H H 164 15.901 15.901 15.427 0.474 18521 959 1 . 1 1 165 165 ASP N N 165 238.226 238.226 237.546 0.680 18521 960 1 . 1 1 165 165 ASP HA H 165 8.494 8.494 8.628 -0.133 18521 961 1 . 1 1 165 165 ASP C C 165 351.620 351.620 352.805 -1.185 18521 962 1 . 1 1 165 165 ASP CA C 165 111.745 111.745 112.418 -0.673 18521 963 1 . 1 1 165 165 ASP CB C 165 71.654 71.654 71.383 0.271 18521 964 1 . 1 1 165 165 ASP H H 165 15.825 15.825 15.791 0.034 18521 965 1 . 1 1 166 166 ILE N N 166 239.564 239.564 239.279 0.285 18521 966 1 . 1 1 166 166 ILE HA H 166 7.898 7.898 7.989 -0.091 18521 967 1 . 1 1 166 166 ILE C C 166 348.556 348.556 350.252 -1.696 18521 968 1 . 1 1 166 166 ILE CA C 166 120.703 120.703 119.508 1.195 18521 969 1 . 1 1 166 166 ILE CB C 166 80.047 80.047 75.035 5.012 18521 970 1 . 1 1 166 166 ILE H H 166 14.427 14.427 14.564 -0.137 18521 stop_ save_